| 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 | 44.8 | Very low | 73.8 | Confident | 196 Ų | 196 | 88.3 Ų | 88.3 | 97% | 0.966 | 46% | 0.459 | S | S | * | . | 0 | -63.9 | 0 | -125.6 | 167.6 | 179.8 | 0 | 0 | 110.7 | T3 S4 | M1-T3 PolarHBondContact O-N 2.75Å; M1-S4 WeakPolarHBondContact O-CB 3.3Å; M1-S4 PolarHBondContact O-N 2.75Å | |||
| 2 | F | 47.5 | Very low | 75.4 | Confident | 140 Ų | 140 | 81.3 Ų | 81.3 | 61% | 0.614 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -47.9 | -35.3 | 176.3 | -75 | -82 | 0 | 0 | 0 | 116.1 | S4 E5 K6 | F2-S4 VanDerWaalsContact C-N 3.3Å; F2-S4 PolarHBondContact O-N 3.48Å; F2-E5 PolarHBondContact O-N 2.86Å; F2-K6 PolarHBondContact O-N 3.15Å |
| 3 | T | 55.7 | Low | 76.8 | Confident | 122 Ų | 122 | 75.8 Ų | 75.8 | 75% | 0.748 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.2 | -35.7 | 177 | 45.1 | 0 | 0 | 0 | 0 | 113.7 | M1 G7 | M1-T3 PolarHBondContact O-N 2.75Å; T3-G7 PolarHBondContact O-N 3.33Å |
| 4 | S | 63.1 | Low | 77.8 | Confident | 85 Ų | 85 | 75.1 Ų | 75.1 | 59% | 0.594 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -73.3 | -33.5 | 177.4 | -168.2 | 0 | 0 | 0 | 0 | 111.8 | M1 F2 V8 | M1-S4 WeakPolarHBondContact O-CB 3.3Å; M1-S4 PolarHBondContact O-N 2.75Å; F2-S4 VanDerWaalsContact C-N 3.3Å; F2-S4 PolarHBondContact O-N 3.48Å; S4-V8 WeakPolarHBondContact O-CG2 3.49Å; S4-V8 PolarHBondContact O-N 3.2Å |
| 5 | E | 68.1 | Low | 78.6 | Confident | 56 Ų | 56 | 74.7 Ų | 74.7 | 26% | 0.262 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -77.8 | -36.1 | -176.6 | -59.4 | -176.2 | 144.4 | 0 | 0 | 111.7 | F2 K43 | F2-E5 PolarHBondContact O-N 2.86Å; E5-K43 IonicContact OE1-NZ 3.59Å; E5-K43 PolarHBondContact OE1-NZ 2.85Å; E5-K43 IonicContact OE2-NZ 2.7Å; E5-K43 PolarHBondContact OE2-NZ 2.98Å |
| 6 | K | 78.9 | Confident | 79.3 | Confident | 84 Ų | 84 | 72.6 Ų | 72.6 | 37% | 0.365 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -61.9 | -46 | 168.4 | -75.4 | -162.8 | 170.7 | -164.1 | 0 | 111.7 | F2 V8 V9 E10 L52 | F2-K6 PolarHBondContact O-N 3.15Å; K6-V8 VanDerWaalsContact C-N 3.33Å; K6-V8 PolarHBondContact O-N 3.46Å; K6-V9 PolarHBondContact O-N 2.96Å; K6-E10 WeakPolarHBondContact O-CG 3.35Å; K6-E10 PolarHBondContact O-N 3.07Å; K6-L52 HydrophobicContact CB-CD1 4.12Å; K6-L52 HydrophobicContact CD-CD1 4.29Å; K6-L52 HydrophobicContact CG-CD1 3.94Å |
| 7 | G | 85.4 | Confident | 79.8 | Confident | 18 Ų | 18 | 77.8 Ų | 77.8 | 19% | 0.186 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -54.4 | -44 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | T3 V9 E10 E11 | T3-G7 PolarHBondContact O-N 3.33Å; G7-V9 VanDerWaalsContact C-N 3.29Å; G7-V9 PolarHBondContact O-N 3.15Å; G7-E10 PolarHBondContact O-N 2.9Å; G7-E11 WeakPolarHBondContact O-CB 3.48Å; G7-E11 VanDerWaalsContact O-CG 3.3Å; G7-E11 WeakPolarHBondContact O-CG 3.4Å; G7-E11 PolarHBondContact O-N 3.06Å |
| 8 | V | 92 | Very high | 80.2 | Confident | 40 Ų | 40 | 80.1 Ų | 80.1 | 24% | 0.242 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -60.6 | -36.1 | 176.8 | 171.2 | 0 | 0 | 0 | 0 | 112.7 | S4 K6 W12 L37 | S4-V8 WeakPolarHBondContact O-CG2 3.49Å; S4-V8 PolarHBondContact O-N 3.2Å; K6-V8 VanDerWaalsContact C-N 3.33Å; K6-V8 PolarHBondContact O-N 3.46Å; V8-W12 WeakPolarHBondContact O-CB 3.48Å; V8-W12 PolarHBondContact O-N 2.73Å; V8-W12 VanDerWaalsContact O-N 3.13Å; V8-L37 HydrophobicContact CG1-CB 4.17Å; V8-L37 HydrophobicContact CG1-CD1 4.34Å |
| 9 | V | 92.4 | Very high | 80.5 | Confident | 1 Ų | 1 | 78.1 Ų | 78.1 | 1% | 0.006 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -75.5 | -40.8 | 177.2 | 179 | 0 | 0 | 0 | 0 | 110.8 | K6 G7 W12 L13 L37 L41 V44 L52 V56 | K6-V9 PolarHBondContact O-N 2.96Å; G7-V9 VanDerWaalsContact C-N 3.29Å; G7-V9 PolarHBondContact O-N 3.15Å; V9-W12 HydrophobicContact CG1-CE3 4.34Å; V9-W12 PolarHBondContact O-N 3.48Å; V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.36Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.34Å; V9-L37 HydrophobicContact CG2-CD1 4.4Å; V9-L41 HydrophobicContact CG1-CD2 4.19Å; V9-L41 HydrophobicContact CG2-CD2 4.37Å; V9-V44 HydrophobicContact CG2-CG2 4.43Å; V9-L52 HydrophobicContact CB-CD1 4.25Å; V9-L52 HydrophobicContact CG1-CD1 4.25Å; V9-V56 HydrophobicContact CG1-CG2 3.65Å |
| 10 | E | 92.2 | Very high | 80.7 | Confident | 99 Ų | 99 | 78.1 Ų | 78.1 | 46% | 0.463 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176 | -71 | 165.4 | -161.9 | 0 | 0 | 112 | K6 G7 L13 S14 L52 | K6-E10 WeakPolarHBondContact O-CG 3.35Å; K6-E10 PolarHBondContact O-N 3.07Å; G7-E10 PolarHBondContact O-N 2.9Å; E10-L13 PolarHBondContact O-N 3.46Å; E10-S14 PolarHBondContact O-N 3.42Å; E10-L52 HydrophobicContact CG-CD1 4.41Å; E10-L52 HydrophobicContact CG-CD2 3.79Å |
| 11 | E | 91.4 | Very high | 80.6 | Confident | 130 Ų | 130 | 82.3 Ų | 82.3 | 61% | 0.607 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.3 | -49.5 | 171.5 | -76.5 | 172.9 | -170.7 | 0 | 0 | 110.9 | G7 L13 S14 E15 | G7-E11 WeakPolarHBondContact O-CB 3.48Å; G7-E11 VanDerWaalsContact O-CG 3.3Å; G7-E11 WeakPolarHBondContact O-CG 3.4Å; G7-E11 PolarHBondContact O-N 3.06Å; E11-L13 PolarHBondContact O-N 2.97Å; E11-S14 CarbonylContact O-C 3.6Å; E11-S14 WeakPolarHBondContact O-CA 3.32Å; E11-S14 PolarHBondContact O-N 3.09Å; E11-S14 PolarHBondContact O-OG 2.9Å; E11-E15 WeakPolarHBondContact O-CB 3.28Å; E11-E15 PolarHBondContact O-N 3.27Å |
| 12 | W | 93.8 | Very high | 82.4 | Confident | 4 Ų | 4 | 79.2 Ų | 79.2 | 2% | 0.015 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 177.3 | 170.1 | 73 | 0 | 0 | 0 | 113.9 | V8 V9 S14 F16 Y27 L37 L41 V56 Q59 L60 F63 F74 | V8-W12 WeakPolarHBondContact O-CB 3.48Å; V8-W12 PolarHBondContact O-N 2.73Å; V8-W12 VanDerWaalsContact O-N 3.13Å; V9-W12 HydrophobicContact CG1-CE3 4.34Å; V9-W12 PolarHBondContact O-N 3.48Å; W12-S14 VanDerWaalsContact C-N 3.29Å; W12-F16 PolarHBondContact O-N 3.36Å; W12-Y27 PolarHBondContact NE1-OH 2.97Å; W12-L37 HydrophobicContact CB-CD1 3.66Å; W12-L37 HydrophobicContact CB-CD2 4.23Å; W12-L37 HydrophobicContact CD2-CD1 3.83Å; W12-L37 HydrophobicContact CD2-CD2 4.09Å; W12-L37 HydrophobicContact CE3-CD1 4.22Å; W12-L37 HydrophobicContact CG-CD1 3.59Å; W12-L37 HydrophobicContact CG-CD2 3.61Å; W12-L37 HydrophobicContact CG-CG 4.24Å; W12-L41 HydrophobicContact CE3-CD2 4.15Å; W12-L41 HydrophobicContact CH2-CD1 4.41Å; W12-L41 HydrophobicContact CH2-CD2 4.23Å; W12-L41 HydrophobicContact CZ2-CD1 4.47Å; W12-L41 HydrophobicContact CZ3-CD2 3.8Å; W12-V56 HydrophobicContact CZ3-CG2 4.08Å; W12-Q59 VanDerWaalsContact CD2-NE2 3.34Å; W12-Q59 HydrophobicContact CH2-CB 3.92Å; W12-Q59 HydrophobicContact CH2-CG 3.67Å; W12-Q59 HydrophobicContact CZ2-CG 3.9Å; W12-Q59 HydrophobicContact CZ3-CB 4.28Å; W12-Q59 HydrophobicContact CZ3-CG 4.21Å; W12-Q59 PolarHBondContact O-NE2 3.25Å; W12-L60 HydrophobicContact CH2-CD2 4.43Å; W12-F63 AromaticContact CE2-CZ 3.89Å; W12-F63 HydrophobicContact CZ2-CE1 4.4Å; W12-F63 AromaticContact CZ2-CE2 3.55Å; W12-F63 HydrophobicContact CZ2-CE2 3.55Å; W12-F63 AromaticContact CZ2-CZ 3.49Å; W12-F63 HydrophobicContact CZ2-CZ 3.49Å; W12-F63 VanDerWaalsContact CZ2-CZ 3.49Å; W12-F63 AromaticContact NE1-CZ 3.8Å; W12-F74 HydrophobicContact CZ2-CE1 4.25Å |
| 13 | L | 93.6 | Very high | 84.3 | Confident | 11 Ų | 11 | 74 Ų | 74 | 6% | 0.058 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -66.5 | -31.5 | 172.8 | -71 | 170.8 | 0 | 0 | 0 | 111.8 | V9 E10 E11 K17 L52 P55 Q59 | V9-L13 HydrophobicContact CG1-CD1 4.19Å; V9-L13 HydrophobicContact CG1-CG 4.42Å; V9-L13 WeakPolarHBondContact O-CB 3.36Å; V9-L13 VanDerWaalsContact O-CG 3.25Å; V9-L13 WeakPolarHBondContact O-CG 3.47Å; V9-L13 PolarHBondContact O-N 3.34Å; E10-L13 PolarHBondContact O-N 3.46Å; E11-L13 PolarHBondContact O-N 2.97Å; L13-K17 WeakPolarHBondContact O-CD 3.31Å; L13-K17 VanDerWaalsContact O-CG 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.3Å; L13-L52 HydrophobicContact CD1-CD2 4.4Å; L13-P55 HydrophobicContact CD1-CB 3.96Å; L13-P55 HydrophobicContact CD1-CG 3.97Å; L13-P55 HydrophobicContact CD2-CB 4.13Å; L13-Q59 HydrophobicContact CD2-CB 4.06Å |
| 14 | S | 91 | Very high | 85.6 | Confident | 65 Ų | 65 | 69.9 Ų | 69.9 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -78.9 | -41.8 | 176.8 | 77.5 | 0 | 0 | 0 | 0 | 112.6 | E10 E11 W12 F16 K17 T18 | E10-S14 PolarHBondContact O-N 3.42Å; E11-S14 CarbonylContact O-C 3.6Å; E11-S14 WeakPolarHBondContact O-CA 3.32Å; E11-S14 PolarHBondContact O-N 3.09Å; E11-S14 PolarHBondContact O-OG 2.9Å; W12-S14 VanDerWaalsContact C-N 3.29Å; S14-F16 PolarHBondContact O-N 2.97Å; S14-K17 PolarHBondContact O-N 3.33Å; S14-T18 PolarHBondContact O-N 3.36Å; S14-T18 PolarHBondContact O-OG1 3.37Å |
| 15 | E | 89.6 | Confident | 86.7 | Confident | 70 Ų | 70 | 68.7 Ų | 68.7 | 33% | 0.327 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54.7 | -51.9 | 179.1 | -173.5 | -174.6 | -171.5 | 0 | 0 | 110 | E11 K17 T18 L19 Y27 K34 | E11-E15 WeakPolarHBondContact O-CB 3.28Å; E11-E15 PolarHBondContact O-N 3.27Å; E15-K17 PolarHBondContact O-N 3.06Å; E15-T18 PolarHBondContact O-N 3.41Å; E15-T18 PolarHBondContact O-OG1 2.7Å; E15-L19 PolarHBondContact O-N 2.96Å; E15-Y27 HydrophobicContact CG-CE2 3.99Å; E15-K34 IonicContact OE1-NZ 2.7Å; E15-K34 PolarHBondContact OE1-NZ 2.8Å; E15-K34 IonicContact OE2-NZ 2.75Å; E15-K34 PolarHBondContact OE2-NZ 3.24Å |
| 16 | F | 88.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 18% | 0.175 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | -179 | -173.6 | -110.5 | 0 | 0 | 0 | 113.7 | W12 S14 T18 L19 L24 Y27 Q59 E62 F63 | W12-F16 PolarHBondContact O-N 3.36Å; S14-F16 PolarHBondContact O-N 2.97Å; F16-T18 PolarHBondContact O-N 3.4Å; F16-L19 VanDerWaalsContact O-CB 3.28Å; F16-L19 WeakPolarHBondContact O-CB 3.33Å; F16-L19 PolarHBondContact O-N 3.2Å; F16-L24 HydrophobicContact CE2-CD2 3.64Å; F16-L24 HydrophobicContact CZ-CD2 4.32Å; F16-Y27 HydrophobicContact CD2-CD1 4.39Å; F16-Y27 AromaticContact CD2-CE1 3.92Å; F16-Y27 HydrophobicContact CD2-CE1 3.92Å; F16-Q59 VanDerWaalsContact CB-NE2 3.3Å; F16-Q59 HydrophobicContact CD1-CG 3.76Å; F16-Q59 HydrophobicContact CE1-CG 4.22Å; F16-Q59 HydrophobicContact CG-CG 4.3Å; F16-E62 HydrophobicContact CE1-CB 4.43Å; F16-F63 AromaticContact CD1-CE1 3.89Å; F16-F63 HydrophobicContact CD1-CE1 3.89Å; F16-F63 HydrophobicContact CD2-CD1 4.39Å; F16-F63 AromaticContact CD2-CE1 3.49Å; F16-F63 HydrophobicContact CD2-CE1 3.49Å; F16-F63 VanDerWaalsContact CD2-CE1 3.49Å; F16-F63 HydrophobicContact CD2-CZ 4.19Å; F16-F63 HydrophobicContact CE1-CD1 4.09Å; F16-F63 AromaticContact CE1-CE1 3.83Å; F16-F63 HydrophobicContact CE1-CE1 3.83Å; F16-F63 AromaticContact CE2-CD1 3.89Å; F16-F63 HydrophobicContact CE2-CD1 3.89Å; F16-F63 AromaticContact CE2-CE1 3.42Å; F16-F63 HydrophobicContact CE2-CE1 3.42Å; F16-F63 VanDerWaalsContact CE2-CE1 3.42Å; F16-F63 HydrophobicContact CE2-CZ 4.42Å; F16-F63 AromaticContact CG-CE1 3.72Å; F16-F63 HydrophobicContact CG-CE1 3.72Å; F16-F63 HydrophobicContact CG-CZ 4.43Å; F16-F63 AromaticContact CZ-CD1 3.72Å; F16-F63 HydrophobicContact CZ-CD1 3.72Å; F16-F63 AromaticContact CZ-CE1 3.6Å; F16-F63 HydrophobicContact CZ-CE1 3.6Å |
| 17 | K | 87.9 | Confident | 88.1 | Confident | 162 Ų | 162 | 67.9 Ų | 67.9 | 70% | 0.704 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.8 | -24.9 | 176.8 | -75.2 | 172.4 | -174.6 | 177.1 | 0 | 113.5 | L13 S14 E15 | L13-K17 WeakPolarHBondContact O-CD 3.31Å; L13-K17 VanDerWaalsContact O-CG 3.25Å; L13-K17 WeakPolarHBondContact O-CG 3.3Å; S14-K17 PolarHBondContact O-N 3.33Å; E15-K17 PolarHBondContact O-N 3.06Å |
| 18 | T | 86.8 | Confident | 88.2 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 73% | 0.73 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -1.6 | 177.9 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | S14 E15 F16 | S14-T18 PolarHBondContact O-N 3.36Å; S14-T18 PolarHBondContact O-OG1 3.37Å; E15-T18 PolarHBondContact O-N 3.41Å; E15-T18 PolarHBondContact O-OG1 2.7Å; F16-T18 PolarHBondContact O-N 3.4Å |
| 19 | L | 86.1 | Confident | 87.8 | Confident | 42 Ų | 42 | 69 Ų | 69 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | trans | -87.8 | 122.3 | -167.6 | -158.5 | 119.5 | 0 | 0 | 0 | 111.8 | E15 F16 S23 L24 Y27 | E15-L19 PolarHBondContact O-N 2.96Å; F16-L19 VanDerWaalsContact O-CB 3.28Å; F16-L19 WeakPolarHBondContact O-CB 3.33Å; F16-L19 PolarHBondContact O-N 3.2Å; L19-S23 VanDerWaalsContact CD2-OG 3.3Å; L19-S23 WeakPolarHBondContact CD2-OG 3.44Å; L19-S23 VanDerWaalsContact CG-OG 3.31Å; L19-S23 WeakPolarHBondContact CG-OG 3.5Å; L19-L24 HydrophobicContact CD2-CD2 3.76Å; L19-L24 HydrophobicContact CD2-CG 4.19Å; L19-Y27 HydrophobicContact CD1-CD2 3.44Å; L19-Y27 VanDerWaalsContact CD1-CD2 3.44Å; L19-Y27 HydrophobicContact CD1-CE2 4.06Å; L19-Y27 HydrophobicContact CD1-CG 3.81Å; L19-Y27 HydrophobicContact CD2-CG 4.21Å | ||
| 20 | P | 84.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 73.3 Ų | 73.3 | 50% | 0.5 | 39% | 0.393 | S | S | . | . | trans | -73.1 | 144.1 | 175.6 | 28.9 | -33.6 | 0 | 0 | 0 | 111.4 | T22 S23 | P20-T22 PolarHBondContact O-N 3.41Å; P20-S23 WeakPolarHBondContact CD-OG 3.48Å; P20-S23 PolarHBondContact O-N 3.25Å; P20-S23 PolarHBondContact O-OG 3.32Å | ||
| 21 | E | 79.8 | Confident | 87.2 | Confident | 168 Ų | 168 | 68.7 Ų | 68.7 | 79% | 0.785 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -51.5 | -35.9 | -176.9 | -65.8 | -179.2 | 172.4 | 0 | 0 | 113.5 | S23 L24 | E21-S23 PolarHBondContact O-N 3.49Å; E21-S23 VanDerWaalsContact O-N 3.07Å; E21-L24 HydrophobicContact CB-CD1 4.19Å; E21-L24 HydrophobicContact CG-CD1 4.47Å; E21-L24 WeakPolarHBondContact O-CB 3.34Å; E21-L24 WeakPolarHBondContact O-CD1 3.41Å; E21-L24 VanDerWaalsContact O-CG 3.32Å; E21-L24 WeakPolarHBondContact O-CG 3.34Å; E21-L24 PolarHBondContact O-N 3.27Å; E21-L24 VanDerWaalsContact O-N 3.15Å |
| 22 | T | 81.9 | Confident | 86.4 | Confident | 130 Ų | 130 | 67.2 Ų | 67.2 | 80% | 0.798 | 36% | 0.363 | S | S | * | . | G | 310 helix | trans | -62 | -15.6 | 178.1 | 53.8 | 0 | 0 | 0 | 0 | 114.5 | P20 | P20-T22 PolarHBondContact O-N 3.41Š|
| 23 | S | 86.3 | Confident | 85.7 | Confident | 31 Ų | 31 | 73.1 Ų | 73.1 | 22% | 0.217 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -105.4 | -1 | -179.9 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | L19 P20 E21 N26 Y27 | L19-S23 VanDerWaalsContact CD2-OG 3.3Å; L19-S23 WeakPolarHBondContact CD2-OG 3.44Å; L19-S23 VanDerWaalsContact CG-OG 3.31Å; L19-S23 WeakPolarHBondContact CG-OG 3.5Å; P20-S23 WeakPolarHBondContact CD-OG 3.48Å; P20-S23 PolarHBondContact O-N 3.25Å; P20-S23 PolarHBondContact O-OG 3.32Å; E21-S23 PolarHBondContact O-N 3.49Å; E21-S23 VanDerWaalsContact O-N 3.07Å; S23-N26 PolarHBondContact O-N 3.28Å; S23-Y27 PolarHBondContact O-N 3.32Å |
| 24 | L | 84.5 | Confident | 85.4 | Confident | 36 Ų | 36 | 75.3 Ų | 75.3 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -53.3 | -43.5 | 179.7 | -71.4 | 168.1 | 0 | 0 | 0 | 114.1 | F16 L19 E21 N26 Y27 A28 | F16-L24 HydrophobicContact CE2-CD2 3.64Å; F16-L24 HydrophobicContact CZ-CD2 4.32Å; L19-L24 HydrophobicContact CD2-CD2 3.76Å; L19-L24 HydrophobicContact CD2-CG 4.19Å; E21-L24 HydrophobicContact CB-CD1 4.19Å; E21-L24 HydrophobicContact CG-CD1 4.47Å; E21-L24 WeakPolarHBondContact O-CB 3.34Å; E21-L24 WeakPolarHBondContact O-CD1 3.41Å; E21-L24 VanDerWaalsContact O-CG 3.32Å; E21-L24 WeakPolarHBondContact O-CG 3.34Å; E21-L24 PolarHBondContact O-N 3.27Å; E21-L24 VanDerWaalsContact O-N 3.15Å; L24-N26 PolarHBondContact O-N 2.81Å; L24-Y27 PolarHBondContact O-N 2.71Å; L24-A28 WeakPolarHBondContact O-CB 3.47Å; L24-A28 PolarHBondContact O-N 3.42Å |
| 25 | P | 86.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 76.3 Ų | 76.3 | 38% | 0.383 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -65.1 | -40.7 | 179.9 | -22.5 | 34.9 | 0 | 0 | 0 | 112.5 | Y27 A28 T29 | P25-Y27 VanDerWaalsContact C-N 3.34Å; P25-A28 PolarHBondContact O-N 3.18Å; P25-T29 PolarHBondContact O-N 3.1Å; P25-T29 VanDerWaalsContact O-N 3.15Å |
| 26 | N | 87.3 | Confident | 85.4 | Confident | 111 Ų | 111 | 76.4 Ų | 76.4 | 59% | 0.594 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -66.6 | -38.1 | 176.5 | -67.8 | -21 | 0 | 0 | 0 | 111.3 | S23 L24 T29 N30 | S23-N26 PolarHBondContact O-N 3.28Å; L24-N26 PolarHBondContact O-N 2.81Å; N26-T29 PolarHBondContact O-OG1 3.32Å; N26-N30 PolarHBondContact O-N 3.13Å; N26-N30 PolarHBondContact O-ND2 3.08Å |
| 27 | Y | 88.6 | Confident | 85.6 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 5% | 0.051 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.7 | 179.7 | -100.6 | 0 | 0 | 0 | 111.5 | W12 E15 F16 L19 S23 L24 P25 T29 N30 L31 F63 | W12-Y27 PolarHBondContact NE1-OH 2.97Å; E15-Y27 HydrophobicContact CG-CE2 3.99Å; F16-Y27 HydrophobicContact CD2-CD1 4.39Å; F16-Y27 AromaticContact CD2-CE1 3.92Å; F16-Y27 HydrophobicContact CD2-CE1 3.92Å; L19-Y27 HydrophobicContact CD1-CD2 3.44Å; L19-Y27 VanDerWaalsContact CD1-CD2 3.44Å; L19-Y27 HydrophobicContact CD1-CE2 4.06Å; L19-Y27 HydrophobicContact CD1-CG 3.81Å; L19-Y27 HydrophobicContact CD2-CG 4.21Å; S23-Y27 PolarHBondContact O-N 3.32Å; L24-Y27 PolarHBondContact O-N 2.71Å; P25-Y27 VanDerWaalsContact C-N 3.34Å; Y27-T29 PolarHBondContact O-N 2.89Å; Y27-N30 PolarHBondContact O-N 2.83Å; Y27-L31 HydrophobicContact CE1-CD1 4.1Å; Y27-L31 PolarHBondContact O-N 3.04Å; Y27-L31 VanDerWaalsContact O-N 3.09Å; Y27-F63 HydrophobicContact CE1-CE1 4.28Å; Y27-F63 HydrophobicContact CE1-CE2 4.4Å; Y27-F63 AromaticContact CE1-CZ 3.7Å; Y27-F63 HydrophobicContact CE1-CZ 3.7Å |
| 28 | A | 86.8 | Confident | 85.8 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.6 | -34.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L24 P25 L31 E68 Q70 L71 | L24-A28 WeakPolarHBondContact O-CB 3.47Å; L24-A28 PolarHBondContact O-N 3.42Å; P25-A28 PolarHBondContact O-N 3.18Å; A28-L31 WeakPolarHBondContact O-CB 3.12Å; A28-E68 HydrophobicContact CB-CG 4.11Å; A28-Q70 HydrophobicContact CB-CB 3.76Å; A28-L71 HydrophobicContact CB-CD1 4.37Å; A28-L71 HydrophobicContact CB-CD2 3.5Å; A28-L71 HydrophobicContact CB-CG 3.64Å |
| 29 | T | 84.8 | Confident | 86.1 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 49% | 0.485 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -67 | -47.7 | 174.1 | 53.8 | 0 | 0 | 0 | 0 | 111.8 | P25 N26 Y27 L31 K32 | P25-T29 PolarHBondContact O-N 3.1Å; P25-T29 VanDerWaalsContact O-N 3.15Å; N26-T29 PolarHBondContact O-OG1 3.32Å; Y27-T29 PolarHBondContact O-N 2.89Å; T29-L31 PolarHBondContact O-N 3.36Å; T29-K32 PolarHBondContact O-N 3.24Å |
| 30 | N | 86.3 | Confident | 86.5 | Confident | 93 Ų | 93 | 63.7 Ų | 63.7 | 50% | 0.497 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -22.6 | 178.7 | -71.7 | -63.8 | 0 | 0 | 0 | 113.5 | N26 Y27 K32 D33 | N26-N30 PolarHBondContact O-N 3.13Å; N26-N30 PolarHBondContact O-ND2 3.08Å; Y27-N30 PolarHBondContact O-N 2.83Å; N30-K32 VanDerWaalsContact C-N 3.28Å; N30-K32 PolarHBondContact O-N 2.85Å; N30-D33 PolarHBondContact O-N 3.46Å |
| 31 | L | 84.7 | Confident | 87 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.3 | -30.2 | -176.9 | -165.6 | 72.8 | 0 | 0 | 0 | 113 | Y27 A28 T29 D33 K34 L37 F63 L71 F74 | Y27-L31 HydrophobicContact CE1-CD1 4.1Å; Y27-L31 PolarHBondContact O-N 3.04Å; Y27-L31 VanDerWaalsContact O-N 3.09Å; A28-L31 WeakPolarHBondContact O-CB 3.12Å; T29-L31 PolarHBondContact O-N 3.36Å; L31-D33 VanDerWaalsContact C-N 3.28Å; L31-D33 PolarHBondContact O-N 3.03Å; L31-K34 PolarHBondContact O-N 3.01Å; L31-L37 HydrophobicContact CD1-CD2 3.95Å; L31-F63 HydrophobicContact CD2-CD2 4.22Å; L31-F63 HydrophobicContact CD2-CE2 3.59Å; L31-F63 HydrophobicContact CD2-CZ 4.47Å; L31-L71 HydrophobicContact CD2-CD2 3.82Å; L31-F74 HydrophobicContact CD1-CE2 4.28Å; L31-F74 HydrophobicContact CD1-CZ 4.24Å; L31-F74 HydrophobicContact CD2-CB 3.92Å; L31-F74 HydrophobicContact CD2-CD1 3.63Å; L31-F74 HydrophobicContact CD2-CD2 3.42Å; L31-F74 VanDerWaalsContact CD2-CD2 3.42Å; L31-F74 HydrophobicContact CD2-CE1 3.89Å; L31-F74 HydrophobicContact CD2-CE2 3.71Å; L31-F74 HydrophobicContact CD2-CG 3.36Å; L31-F74 HydrophobicContact CD2-CZ 3.92Å; L31-F74 HydrophobicContact CG-CD2 3.68Å; L31-F74 HydrophobicContact CG-CE1 4.43Å; L31-F74 HydrophobicContact CG-CE2 3.58Å; L31-F74 HydrophobicContact CG-CG 4.17Å; L31-F74 HydrophobicContact CG-CZ 3.97Å |
| 32 | K | 74.3 | Confident | 87.7 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 43% | 0.43 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -26.1 | 179.2 | -73.7 | -176 | 168.8 | 177.7 | 0 | 113.3 | T29 N30 | T29-K32 PolarHBondContact O-N 3.24Å; N30-K32 VanDerWaalsContact C-N 3.28Å; N30-K32 PolarHBondContact O-N 2.85Å |
| 33 | D | 81 | Confident | 88.2 | Confident | 128 Ų | 128 | 50.2 Ų | 50.2 | 68% | 0.684 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | -16.2 | -179.8 | -62.1 | -37.9 | 0 | 0 | 0 | 113.1 | N30 L31 S35 | N30-D33 PolarHBondContact O-N 3.46Å; L31-D33 VanDerWaalsContact C-N 3.28Å; L31-D33 PolarHBondContact O-N 3.03Å; D33-S35 PolarHBondContact O-N 3.32Å |
| 34 | K | 87.1 | Confident | 88.5 | Confident | 58 Ų | 58 | 49.2 Ų | 49.2 | 25% | 0.252 | 28% | 0.275 | S | S | . | . | trans | -76.3 | 62.3 | 179.5 | -65.5 | -178.7 | 176.3 | 173.3 | 0 | 112.1 | E15 L31 S36 L37 V38 | E15-K34 IonicContact OE1-NZ 2.7Å; E15-K34 PolarHBondContact OE1-NZ 2.8Å; E15-K34 IonicContact OE2-NZ 2.75Å; E15-K34 PolarHBondContact OE2-NZ 3.24Å; L31-K34 PolarHBondContact O-N 3.01Å; K34-S36 VanDerWaalsContact C-N 3.31Å; K34-S36 PolarHBondContact O-N 3.32Å; K34-L37 HydrophobicContact CB-CB 3.95Å; K34-L37 HydrophobicContact CB-CD2 4.23Å; K34-L37 HydrophobicContact CD-CD2 4.23Å; K34-L37 WeakPolarHBondContact O-CB 3.25Å; K34-L37 PolarHBondContact O-N 3.27Å; K34-L37 VanDerWaalsContact O-N 3.1Å; K34-V38 PolarHBondContact O-N 2.81Å | ||
| 35 | S | 88.3 | Confident | 88.9 | Confident | 86 Ų | 86 | 47.5 Ų | 47.5 | 60% | 0.601 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -61.1 | -31 | -177.5 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | D33 S39 | D33-S35 PolarHBondContact O-N 3.32Å; S35-S39 PolarHBondContact O-N 2.94Å; S35-S39 VanDerWaalsContact O-N 3.08Å; S35-S39 PolarHBondContact O-OG 2.65Å |
| 36 | S | 91.1 | Very high | 89.1 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 50% | 0.497 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 173.1 | 52.2 | 0 | 0 | 0 | 0 | 112.5 | K34 S39 S40 | K34-S36 VanDerWaalsContact C-N 3.31Å; K34-S36 PolarHBondContact O-N 3.32Å; S36-S39 PolarHBondContact O-N 3.29Å; S36-S40 PolarHBondContact O-N 3.06Å; S36-S40 PolarHBondContact O-OG 3.21Å |
| 37 | L | 92.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.016 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.4 | -50.9 | 174.3 | 171.9 | 67.3 | 0 | 0 | 0 | 110.4 | V8 V9 W12 L31 K34 S39 S40 L41 F74 | V8-L37 HydrophobicContact CG1-CB 4.17Å; V8-L37 HydrophobicContact CG1-CD1 4.34Å; V9-L37 HydrophobicContact CG2-CD1 4.4Å; W12-L37 HydrophobicContact CB-CD1 3.66Å; W12-L37 HydrophobicContact CB-CD2 4.23Å; W12-L37 HydrophobicContact CD2-CD1 3.83Å; W12-L37 HydrophobicContact CD2-CD2 4.09Å; W12-L37 HydrophobicContact CE3-CD1 4.22Å; W12-L37 HydrophobicContact CG-CD1 3.59Å; W12-L37 HydrophobicContact CG-CD2 3.61Å; W12-L37 HydrophobicContact CG-CG 4.24Å; L31-L37 HydrophobicContact CD1-CD2 3.95Å; K34-L37 HydrophobicContact CB-CB 3.95Å; K34-L37 HydrophobicContact CB-CD2 4.23Å; K34-L37 HydrophobicContact CD-CD2 4.23Å; K34-L37 WeakPolarHBondContact O-CB 3.25Å; K34-L37 PolarHBondContact O-N 3.27Å; K34-L37 VanDerWaalsContact O-N 3.1Å; L37-S39 VanDerWaalsContact C-N 3.25Å; L37-S39 PolarHBondContact O-N 3.06Å; L37-S40 PolarHBondContact O-N 2.79Å; L37-L41 HydrophobicContact CD1-CD1 4Å; L37-L41 HydrophobicContact CD1-CD2 4.35Å; L37-L41 HydrophobicContact CD1-CG 3.95Å; L37-L41 HydrophobicContact CD2-CD1 4.5Å; L37-L41 HydrophobicContact CG-CD1 3.88Å; L37-L41 HydrophobicContact CG-CG 4.24Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.86Å; L37-F74 HydrophobicContact CD2-CZ 4.35Å |
| 38 | V | 93.4 | Very high | 88.6 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.6 | -44.2 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | K34 S40 L41 Y42 F74 F78 | K34-V38 PolarHBondContact O-N 2.81Å; V38-S40 VanDerWaalsContact C-N 3.35Å; V38-S40 PolarHBondContact O-N 3.03Å; V38-L41 PolarHBondContact O-N 3.25Å; V38-Y42 HydrophobicContact CG1-CD2 3.97Å; V38-Y42 HydrophobicContact CG1-CE2 3.84Å; V38-Y42 WeakPolarHBondContact O-CD2 3.33Å; V38-Y42 PolarHBondContact O-N 2.98Å; V38-Y42 VanDerWaalsContact O-N 3.08Å; V38-F74 HydrophobicContact CG2-CE2 3.77Å; V38-F74 HydrophobicContact CG2-CZ 4.33Å; V38-F78 HydrophobicContact CG1-CE1 4.07Å; V38-F78 HydrophobicContact CG1-CZ 4.09Å |
| 39 | S | 92.9 | Very high | 88.4 | Confident | 67 Ų | 67 | 57.9 Ų | 57.9 | 47% | 0.469 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | S35 S36 L37 K43 | S35-S39 PolarHBondContact O-N 2.94Å; S35-S39 VanDerWaalsContact O-N 3.08Å; S35-S39 PolarHBondContact O-OG 2.65Å; S36-S39 PolarHBondContact O-N 3.29Å; L37-S39 VanDerWaalsContact C-N 3.25Å; L37-S39 PolarHBondContact O-N 3.06Å; S39-K43 WeakPolarHBondContact O-CG 3.19Å; S39-K43 PolarHBondContact O-N 3.37Å |
| 40 | S | 93.4 | Very high | 88.5 | Confident | 7 Ų | 7 | 54.9 Ų | 54.9 | 5% | 0.049 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | 177.6 | -54.9 | 0 | 0 | 0 | 0 | 112 | S36 L37 V38 K43 V44 | S36-S40 PolarHBondContact O-N 3.06Å; S36-S40 PolarHBondContact O-OG 3.21Å; L37-S40 PolarHBondContact O-N 2.79Å; V38-S40 VanDerWaalsContact C-N 3.35Å; V38-S40 PolarHBondContact O-N 3.03Å; S40-K43 WeakPolarHBondContact O-CB 3.44Å; S40-K43 PolarHBondContact O-N 3.5Å; S40-V44 WeakPolarHBondContact O-CG2 3.25Å; S40-V44 PolarHBondContact O-N 3.04Å |
| 41 | L | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 175.6 | -69.3 | 174.3 | 0 | 0 | 0 | 112 | V9 W12 L37 V38 K43 V44 I45 V56 F74 F78 | V9-L41 HydrophobicContact CG1-CD2 4.19Å; V9-L41 HydrophobicContact CG2-CD2 4.37Å; W12-L41 HydrophobicContact CE3-CD2 4.15Å; W12-L41 HydrophobicContact CH2-CD1 4.41Å; W12-L41 HydrophobicContact CH2-CD2 4.23Å; W12-L41 HydrophobicContact CZ2-CD1 4.47Å; W12-L41 HydrophobicContact CZ3-CD2 3.8Å; L37-L41 HydrophobicContact CD1-CD1 4Å; L37-L41 HydrophobicContact CD1-CD2 4.35Å; L37-L41 HydrophobicContact CD1-CG 3.95Å; L37-L41 HydrophobicContact CD2-CD1 4.5Å; L37-L41 HydrophobicContact CG-CD1 3.88Å; L37-L41 HydrophobicContact CG-CG 4.24Å; L37-L41 WeakPolarHBondContact O-CG 3.35Å; L37-L41 PolarHBondContact O-N 2.86Å; V38-L41 PolarHBondContact O-N 3.25Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.26Å; L41-V44 PolarHBondContact O-N 3.36Å; L41-I45 WeakPolarHBondContact O-CG1 3.48Å; L41-I45 PolarHBondContact O-N 2.83Å; L41-V56 HydrophobicContact CD2-CB 4.46Å; L41-V56 HydrophobicContact CD2-CG1 3.74Å; L41-V56 HydrophobicContact CD2-CG2 3.79Å; L41-F74 HydrophobicContact CD1-CE1 3.88Å; L41-F74 HydrophobicContact CD1-CZ 3.66Å; L41-F78 HydrophobicContact CB-CE1 3.79Å; L41-F78 HydrophobicContact CB-CZ 3.79Å; L41-F78 HydrophobicContact CD1-CE2 4.06Å; L41-F78 HydrophobicContact CD1-CZ 3.72Å; L41-F78 HydrophobicContact CG-CZ 4.43Å |
| 42 | Y | 94.6 | Very high | 88.8 | Confident | 16 Ų | 16 | 59 Ų | 59 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.7 | -41 | 172.2 | -88.4 | -71.7 | 0 | 0 | 0 | 112.1 | V38 I45 Q46 Q77 F78 E81 V198 S199 | V38-Y42 HydrophobicContact CG1-CD2 3.97Å; V38-Y42 HydrophobicContact CG1-CE2 3.84Å; V38-Y42 WeakPolarHBondContact O-CD2 3.33Å; V38-Y42 PolarHBondContact O-N 2.98Å; V38-Y42 VanDerWaalsContact O-N 3.08Å; Y42-I45 PolarHBondContact O-N 3.39Å; Y42-Q46 WeakPolarHBondContact O-CB 3.33Å; Y42-Q46 VanDerWaalsContact O-CG 3.28Å; Y42-Q46 WeakPolarHBondContact O-CG 3.5Å; Y42-Q46 PolarHBondContact O-N 3.45Å; Y42-Q77 PolarHBondContact OH-O 3.02Å; Y42-F78 HydrophobicContact CD1-CD1 4.12Å; Y42-F78 AromaticContact CD2-CD1 3.97Å; Y42-F78 HydrophobicContact CD2-CD1 3.97Å; Y42-F78 AromaticContact CD2-CE1 3.63Å; Y42-F78 HydrophobicContact CD2-CE1 3.63Å; Y42-F78 AromaticContact CE1-CD1 3.94Å; Y42-F78 HydrophobicContact CE1-CD1 3.94Å; Y42-F78 AromaticContact CE2-CD1 3.78Å; Y42-F78 HydrophobicContact CE2-CD1 3.78Å; Y42-F78 AromaticContact CE2-CE1 3.62Å; Y42-F78 HydrophobicContact CE2-CE1 3.62Å; Y42-F78 HydrophobicContact CG-CD1 4.12Å; Y42-F78 HydrophobicContact CG-CE1 4.12Å; Y42-F78 AromaticContact CZ-CD1 3.76Å; Y42-E81 HydrophobicContact CD1-CB 4.15Å; Y42-E81 HydrophobicContact CD1-CG 4.05Å; Y42-E81 HydrophobicContact CE1-CB 4.08Å; Y42-E81 HydrophobicContact CE1-CG 4.44Å; Y42-V198 HydrophobicContact CD2-CG1 4.26Å; Y42-V198 HydrophobicContact CE2-CG1 3.77Å; Y42-S199 WeakPolarHBondContact OH-CA 3.45Å |
| 43 | K | 92.8 | Very high | 89.7 | Confident | 76 Ų | 76 | 54.6 Ų | 54.6 | 33% | 0.33 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 175.9 | -69.9 | 173 | 172.5 | -175.6 | 0 | 112.2 | E5 S39 S40 L41 I45 Q46 E47 | E5-K43 IonicContact OE1-NZ 3.59Å; E5-K43 PolarHBondContact OE1-NZ 2.85Å; E5-K43 IonicContact OE2-NZ 2.7Å; E5-K43 PolarHBondContact OE2-NZ 2.98Å; S39-K43 WeakPolarHBondContact O-CG 3.19Å; S39-K43 PolarHBondContact O-N 3.37Å; S40-K43 WeakPolarHBondContact O-CB 3.44Å; S40-K43 PolarHBondContact O-N 3.5Å; L41-K43 VanDerWaalsContact C-N 3.29Å; L41-K43 PolarHBondContact O-N 3.26Å; K43-I45 VanDerWaalsContact C-N 3.29Å; K43-I45 PolarHBondContact O-N 2.91Å; K43-Q46 PolarHBondContact O-N 3.08Å; K43-Q46 VanDerWaalsContact O-N 3.16Å; K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 2.7Å; K43-E47 VanDerWaalsContact O-N 3.09Å |
| 44 | V | 93.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.4 | -41 | 177.1 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | V9 S40 L41 E47 L52 L53 V56 | V9-V44 HydrophobicContact CG2-CG2 4.43Å; S40-V44 WeakPolarHBondContact O-CG2 3.25Å; S40-V44 PolarHBondContact O-N 3.04Å; L41-V44 PolarHBondContact O-N 3.36Å; V44-E47 PolarHBondContact O-N 3.22Å; V44-L52 HydrophobicContact CG1-CB 4Å; V44-L52 HydrophobicContact CG2-CB 4.29Å; V44-L52 HydrophobicContact CG2-CD1 4.44Å; V44-L53 HydrophobicContact CG1-CB 4.25Å; V44-L53 HydrophobicContact CG1-CD1 4.39Å; V44-V56 HydrophobicContact CG1-CB 4.47Å; V44-V56 HydrophobicContact CG1-CG2 4.17Å |
| 45 | I | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.2 | -36.4 | 177.2 | -66.5 | 167.6 | 0 | 0 | 0 | 111.7 | L41 Y42 K43 E47 L53 L60 F78 E81 L82 C85 | L41-I45 WeakPolarHBondContact O-CG1 3.48Å; L41-I45 PolarHBondContact O-N 2.83Å; Y42-I45 PolarHBondContact O-N 3.39Å; K43-I45 VanDerWaalsContact C-N 3.29Å; K43-I45 PolarHBondContact O-N 2.91Å; I45-E47 VanDerWaalsContact C-N 3.27Å; I45-E47 PolarHBondContact O-N 3.4Å; I45-L53 HydrophobicContact CG1-CD1 4.41Å; I45-L60 HydrophobicContact CD1-CD1 4.43Å; I45-F78 HydrophobicContact CD1-CB 3.76Å; I45-F78 HydrophobicContact CD1-CD1 3.94Å; I45-F78 HydrophobicContact CD1-CG 3.92Å; I45-E81 HydrophobicContact CG2-CB 4Å; I45-E81 HydrophobicContact CG2-CG 3.85Å; I45-L82 HydrophobicContact CD1-CD2 4.08Å; I45-L82 HydrophobicContact CD1-CG 4.32Å; I45-L82 HydrophobicContact CG1-CD2 4.15Å; I45-L82 HydrophobicContact CG2-CD2 3.85Å; I45-L82 HydrophobicContact CG2-CG 4.23Å; I45-C85 PolarHBondContact O-SG 3.08Å |
| 46 | Q | 90.3 | Very high | 90.9 | Very high | 97 Ų | 97 | 49.1 Ų | 49.1 | 45% | 0.453 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -71.8 | -17.2 | 176.8 | -76.4 | 174.5 | -3.7 | 0 | 0 | 114 | Y42 K43 P48 E81 | Y42-Q46 WeakPolarHBondContact O-CB 3.33Å; Y42-Q46 VanDerWaalsContact O-CG 3.28Å; Y42-Q46 WeakPolarHBondContact O-CG 3.5Å; Y42-Q46 PolarHBondContact O-N 3.45Å; K43-Q46 PolarHBondContact O-N 3.08Å; K43-Q46 VanDerWaalsContact O-N 3.16Å; Q46-P48 WeakPolarHBondContact O-CD 3.18Å; Q46-E81 HydrophobicContact CG-CG 3.93Å; Q46-E81 VanDerWaalsContact CG-OE1 3.25Å; Q46-E81 WeakPolarHBondContact CG-OE1 3.49Å; Q46-E81 PolarHBondContact NE2-OE1 3.43Å; Q46-E81 PolarHBondContact NE2-OE2 3.09Å |
| 47 | E | 87.3 | Confident | 91.1 | Very high | 89 Ų | 89 | 46 Ų | 46 | 42% | 0.416 | 23% | 0.234 | S | C | . | . | trans | -105.6 | 86.4 | -179.7 | -70.5 | 179.1 | -168.7 | 0 | 0 | 111 | K43 V44 I45 Q49 S50 | K43-E47 WeakPolarHBondContact O-CG 3.46Å; K43-E47 PolarHBondContact O-N 2.7Å; K43-E47 VanDerWaalsContact O-N 3.09Å; V44-E47 PolarHBondContact O-N 3.22Å; I45-E47 VanDerWaalsContact C-N 3.27Å; I45-E47 PolarHBondContact O-N 3.4Å; E47-Q49 PolarHBondContact O-N 3.04Å; E47-S50 VanDerWaalsContact O-CB 3.24Å; E47-S50 WeakPolarHBondContact O-CB 3.39Å; E47-S50 PolarHBondContact O-N 2.87Å | ||
| 48 | P | 78.3 | Confident | 91.2 | Very high | 46 Ų | 46 | 51.5 Ų | 51.5 | 30% | 0.299 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -1.2 | -174.4 | 28.4 | -37.6 | 0 | 0 | 0 | 115.2 | Q46 V89 S97 | Q46-P48 WeakPolarHBondContact O-CD 3.18Å; P48-V89 HydrophobicContact CB-CG2 4.08Å; P48-V89 HydrophobicContact CG-CG2 4.46Å; P48-S97 PolarHBondContact O-OG 3.34Å |
| 49 | Q | 81.4 | Confident | 91.3 | Very high | 169 Ų | 169 | 51.2 Ų | 51.2 | 79% | 0.79 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.2 | 174.4 | -64.3 | -177.8 | -19.5 | 0 | 0 | 112.4 | E47 | E47-Q49 PolarHBondContact O-N 3.04Š|
| 50 | S | 86.3 | Confident | 91.4 | Very high | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 23% | 0.234 | C | C | . | . | trans | -75.9 | 125.1 | 179.6 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | E47 L52 L53 | E47-S50 VanDerWaalsContact O-CB 3.24Å; E47-S50 WeakPolarHBondContact O-CB 3.39Å; E47-S50 PolarHBondContact O-N 2.87Å; S50-L52 PolarHBondContact O-N 3.18Å; S50-L52 VanDerWaalsContact O-N 3.13Å; S50-L52 PolarHBondContact OG-N 3.27Å; S50-L53 WeakPolarHBondContact O-CB 3.37Å; S50-L53 PolarHBondContact O-N 3.18Å | ||
| 51 | E | 87.9 | Confident | 91.6 | Very high | 164 Ų | 164 | 50 Ų | 50 | 77% | 0.766 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -25.5 | 173.2 | -63.4 | 164.1 | 165.3 | 0 | 0 | 112.7 | L53 P55 | E51-L53 VanDerWaalsContact C-N 3.32Å; E51-P55 WeakPolarHBondContact O-CD 3.43Å |
| 52 | L | 90.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 53.2 Ų | 53.2 | 8% | 0.084 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -11.1 | 178.2 | -61.2 | 177.9 | 0 | 0 | 0 | 113.2 | K6 V9 E10 L13 V44 S50 E54 P55 V56 | K6-L52 HydrophobicContact CB-CD1 4.12Å; K6-L52 HydrophobicContact CD-CD1 4.29Å; K6-L52 HydrophobicContact CG-CD1 3.94Å; V9-L52 HydrophobicContact CB-CD1 4.25Å; V9-L52 HydrophobicContact CG1-CD1 4.25Å; E10-L52 HydrophobicContact CG-CD1 4.41Å; E10-L52 HydrophobicContact CG-CD2 3.79Å; L13-L52 HydrophobicContact CD1-CD2 4.4Å; V44-L52 HydrophobicContact CG1-CB 4Å; V44-L52 HydrophobicContact CG2-CB 4.29Å; V44-L52 HydrophobicContact CG2-CD1 4.44Å; S50-L52 PolarHBondContact O-N 3.18Å; S50-L52 VanDerWaalsContact O-N 3.13Å; S50-L52 PolarHBondContact OG-N 3.27Å; L52-E54 PolarHBondContact O-N 2.88Å; L52-P55 WeakPolarHBondContact O-CD 3.42Å; L52-P55 WeakPolarHBondContact O-CG 3.2Å; L52-V56 VanDerWaalsContact O-CB 3.26Å; L52-V56 WeakPolarHBondContact O-CB 3.49Å; L52-V56 WeakPolarHBondContact O-CG2 3.45Å; L52-V56 PolarHBondContact O-N 2.92Å; L52-V56 VanDerWaalsContact O-N 3.08Å |
| 53 | L | 91.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -41.8 | -174.7 | -178.6 | 59.8 | 0 | 0 | 0 | 112.6 | V44 I45 S50 E51 C57 I101 | V44-L53 HydrophobicContact CG1-CB 4.25Å; V44-L53 HydrophobicContact CG1-CD1 4.39Å; I45-L53 HydrophobicContact CG1-CD1 4.41Å; S50-L53 WeakPolarHBondContact O-CB 3.37Å; S50-L53 PolarHBondContact O-N 3.18Å; E51-L53 VanDerWaalsContact C-N 3.32Å; L53-C57 WeakPolarHBondContact O-CB 3.27Å; L53-C57 PolarHBondContact O-N 3.22Å; L53-C57 PolarHBondContact O-SG 3.41Å; L53-I101 HydrophobicContact CD1-CD1 4.27Å; L53-I101 HydrophobicContact CD1-CG1 4.29Å; L53-I101 HydrophobicContact CD2-CD1 4.11Å; L53-I101 HydrophobicContact CD2-CG1 4.39Å |
| 54 | E | 92.4 | Very high | 91.6 | Very high | 115 Ų | 115 | 49.4 Ų | 49.4 | 54% | 0.537 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.2 | -55.7 | 177.8 | 177.7 | 167 | -159.6 | 0 | 0 | 113.2 | L52 V56 C57 H58 C100 | L52-E54 PolarHBondContact O-N 2.88Å; E54-V56 VanDerWaalsContact C-N 3.3Å; E54-V56 PolarHBondContact O-N 3.36Å; E54-C57 PolarHBondContact O-N 2.67Å; E54-H58 PolarHBondContact O-N 3Å; E54-C100 HydrophobicContact CB-CB 4.4Å; E54-C100 VanDerWaalsContact CB-SG 3.58Å |
| 55 | P | 94.3 | Very high | 91.6 | Very high | 42 Ų | 42 | 56 Ų | 56 | 27% | 0.273 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -32.1 | 178.8 | 25.2 | -34.6 | 0 | 0 | 0 | 112.7 | L13 E51 L52 H58 Q59 | L13-P55 HydrophobicContact CD1-CB 3.96Å; L13-P55 HydrophobicContact CD1-CG 3.97Å; L13-P55 HydrophobicContact CD2-CB 4.13Å; E51-P55 WeakPolarHBondContact O-CD 3.43Å; L52-P55 WeakPolarHBondContact O-CD 3.42Å; L52-P55 WeakPolarHBondContact O-CG 3.2Å; P55-H58 PolarHBondContact O-N 2.97Å; P55-Q59 WeakPolarHBondContact O-CB 3.32Å; P55-Q59 PolarHBondContact O-N 3.03Å |
| 56 | V | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -48 | 171.4 | 166.1 | 0 | 0 | 0 | 0 | 110.9 | V9 W12 L41 V44 L52 E54 H58 Q59 L60 | V9-V56 HydrophobicContact CG1-CG2 3.65Å; W12-V56 HydrophobicContact CZ3-CG2 4.08Å; L41-V56 HydrophobicContact CD2-CB 4.46Å; L41-V56 HydrophobicContact CD2-CG1 3.74Å; L41-V56 HydrophobicContact CD2-CG2 3.79Å; V44-V56 HydrophobicContact CG1-CB 4.47Å; V44-V56 HydrophobicContact CG1-CG2 4.17Å; L52-V56 VanDerWaalsContact O-CB 3.26Å; L52-V56 WeakPolarHBondContact O-CB 3.49Å; L52-V56 WeakPolarHBondContact O-CG2 3.45Å; L52-V56 PolarHBondContact O-N 2.92Å; L52-V56 VanDerWaalsContact O-N 3.08Å; E54-V56 VanDerWaalsContact C-N 3.3Å; E54-V56 PolarHBondContact O-N 3.36Å; V56-H58 VanDerWaalsContact C-N 3.32Å; V56-H58 PolarHBondContact O-N 3.41Å; V56-Q59 PolarHBondContact O-N 3Å; V56-L60 HydrophobicContact CG1-CD1 3.88Å; V56-L60 HydrophobicContact CG1-CG 4.28Å; V56-L60 WeakPolarHBondContact O-CB 3.36Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.47Å; V56-L60 PolarHBondContact O-N 3.28Å |
| 57 | C | 95.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 56.6 Ų | 56.6 | 3% | 0.027 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.4 | -40.9 | 178.3 | -69.9 | 0 | 0 | 0 | 0 | 112 | L53 E54 L60 F61 C100 L104 | L53-C57 WeakPolarHBondContact O-CB 3.27Å; L53-C57 PolarHBondContact O-N 3.22Å; L53-C57 PolarHBondContact O-SG 3.41Å; E54-C57 PolarHBondContact O-N 2.67Å; C57-L60 PolarHBondContact O-N 3.3Å; C57-F61 PolarHBondContact O-N 3.21Å; C57-C100 HydrophobicContact CB-CB 4.08Å; C57-L104 HydrophobicContact CB-CB 4.3Å; C57-L104 HydrophobicContact CB-CD2 4.17Å |
| 58 | H | 94.8 | Very high | 91.6 | Very high | 120 Ų | 120 | 55.4 Ų | 55.4 | 56% | 0.556 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.4 | -46.2 | 175.2 | -111.2 | 97.5 | 0 | 0 | 0 | 112.4 | E54 P55 V56 F61 E62 | E54-H58 PolarHBondContact O-N 3Å; P55-H58 PolarHBondContact O-N 2.97Å; V56-H58 VanDerWaalsContact C-N 3.32Å; V56-H58 PolarHBondContact O-N 3.41Å; H58-F61 WeakPolarHBondContact O-CB 3.27Å; H58-F61 PolarHBondContact O-N 3.2Å; H58-E62 PolarHBondContact O-N 3.15Å |
| 59 | Q | 95.3 | Very high | 92.2 | Very high | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 179.7 | -173.6 | 155.1 | -47.9 | 0 | 0 | 112.1 | W12 L13 F16 P55 V56 F61 E62 F63 | W12-Q59 VanDerWaalsContact CD2-NE2 3.34Å; W12-Q59 HydrophobicContact CH2-CB 3.92Å; W12-Q59 HydrophobicContact CH2-CG 3.67Å; W12-Q59 HydrophobicContact CZ2-CG 3.9Å; W12-Q59 HydrophobicContact CZ3-CB 4.28Å; W12-Q59 HydrophobicContact CZ3-CG 4.21Å; W12-Q59 PolarHBondContact O-NE2 3.25Å; L13-Q59 HydrophobicContact CD2-CB 4.06Å; F16-Q59 VanDerWaalsContact CB-NE2 3.3Å; F16-Q59 HydrophobicContact CD1-CG 3.76Å; F16-Q59 HydrophobicContact CE1-CG 4.22Å; F16-Q59 HydrophobicContact CG-CG 4.3Å; P55-Q59 WeakPolarHBondContact O-CB 3.32Å; P55-Q59 PolarHBondContact O-N 3.03Å; V56-Q59 PolarHBondContact O-N 3Å; Q59-F61 VanDerWaalsContact C-N 3.3Å; Q59-F61 PolarHBondContact O-N 3.44Å; Q59-E62 PolarHBondContact O-N 3.26Å; Q59-F63 HydrophobicContact CG-CD1 4.02Å; Q59-F63 HydrophobicContact CG-CE1 3.49Å; Q59-F63 VanDerWaalsContact CG-CE1 3.49Å; Q59-F63 HydrophobicContact CG-CZ 3.96Å; Q59-F63 WeakPolarHBondContact O-CB 3.46Å; Q59-F63 WeakPolarHBondContact O-CD1 3.22Å; Q59-F63 WeakPolarHBondContact O-CG 3.47Å; Q59-F63 PolarHBondContact O-N 2.89Å |
| 60 | L | 96.2 | Very high | 92.7 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -33 | 172.6 | -70.6 | 178.3 | 0 | 0 | 0 | 112.7 | W12 I45 V56 C57 Y64 F74 T75 F78 L104 | W12-L60 HydrophobicContact CH2-CD2 4.43Å; I45-L60 HydrophobicContact CD1-CD1 4.43Å; V56-L60 HydrophobicContact CG1-CD1 3.88Å; V56-L60 HydrophobicContact CG1-CG 4.28Å; V56-L60 WeakPolarHBondContact O-CB 3.36Å; V56-L60 VanDerWaalsContact O-CG 3.28Å; V56-L60 WeakPolarHBondContact O-CG 3.47Å; V56-L60 PolarHBondContact O-N 3.28Å; C57-L60 PolarHBondContact O-N 3.3Å; L60-Y64 PolarHBondContact O-N 2.88Å; L60-F74 HydrophobicContact CD2-CD1 4.12Å; L60-F74 HydrophobicContact CD2-CE1 4.01Å; L60-T75 HydrophobicContact CB-CG2 4.02Å; L60-T75 WeakPolarHBondContact O-CG2 3.45Å; L60-T75 PolarHBondContact O-OG1 3.2Å; L60-F78 HydrophobicContact CD1-CD2 4.35Å; L60-F78 HydrophobicContact CD2-CD2 4.18Å; L60-F78 HydrophobicContact CD2-CE2 4.27Å; L60-L104 HydrophobicContact CB-CD1 4.32Å; L60-L104 HydrophobicContact CB-CD2 4.2Å; L60-L104 HydrophobicContact CD1-CD2 4.36Å |
| 61 | F | 96.4 | Very high | 93 | Very high | 48 Ų | 48 | 52.7 Ų | 52.7 | 21% | 0.211 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -47.6 | 173.2 | 177.7 | -109.4 | 0 | 0 | 0 | 111.7 | C57 H58 Q59 F63 Y64 R65 L104 L111 | C57-F61 PolarHBondContact O-N 3.21Å; H58-F61 WeakPolarHBondContact O-CB 3.27Å; H58-F61 PolarHBondContact O-N 3.2Å; Q59-F61 VanDerWaalsContact C-N 3.3Å; Q59-F61 PolarHBondContact O-N 3.44Å; F61-F63 VanDerWaalsContact C-N 3.3Å; F61-F63 PolarHBondContact O-N 3.08Å; F61-Y64 WeakPolarHBondContact O-CA 3.45Å; F61-Y64 WeakPolarHBondContact O-CB 3.34Å; F61-Y64 PolarHBondContact O-N 2.92Å; F61-R65 WeakPolarHBondContact O-CB 3.48Å; F61-R65 PolarHBondContact O-N 3.5Å; F61-L104 HydrophobicContact CB-CD1 3.72Å; F61-L104 HydrophobicContact CD2-CD1 4.47Å; F61-L111 HydrophobicContact CE2-CD1 3.73Å; F61-L111 HydrophobicContact CE2-CG 4.49Å; F61-L111 HydrophobicContact CZ-CD1 4.2Å |
| 62 | E | 94.5 | Very high | 93.3 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 32% | 0.318 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -34.9 | 177.3 | -71.9 | -61 | 139 | 0 | 0 | 112.2 | F16 H58 Q59 Y64 R65 S66 | F16-E62 HydrophobicContact CE1-CB 4.43Å; H58-E62 PolarHBondContact O-N 3.15Å; Q59-E62 PolarHBondContact O-N 3.26Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; E62-Y64 PolarHBondContact O-N 2.91Å; E62-R65 PolarHBondContact O-N 3.34Å; E62-R65 IonicContact OE1-CZ 2.65Å; E62-R65 IonicContact OE1-NH1 2.7Å; E62-R65 PolarHBondContact OE1-NH1 3.37Å; E62-R65 IonicContact OE2-NH1 3.34Å; E62-S66 PolarHBondContact O-N 3Å |
| 63 | F | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -44.3 | 169.3 | -81.8 | 25.1 | 0 | 0 | 0 | 111.9 | W12 F16 Y27 L31 Q59 F61 S66 L71 F74 | W12-F63 AromaticContact CE2-CZ 3.89Å; W12-F63 HydrophobicContact CZ2-CE1 4.4Å; W12-F63 AromaticContact CZ2-CE2 3.55Å; W12-F63 HydrophobicContact CZ2-CE2 3.55Å; W12-F63 AromaticContact CZ2-CZ 3.49Å; W12-F63 HydrophobicContact CZ2-CZ 3.49Å; W12-F63 VanDerWaalsContact CZ2-CZ 3.49Å; W12-F63 AromaticContact NE1-CZ 3.8Å; F16-F63 AromaticContact CD1-CE1 3.89Å; F16-F63 HydrophobicContact CD1-CE1 3.89Å; F16-F63 HydrophobicContact CD2-CD1 4.39Å; F16-F63 AromaticContact CD2-CE1 3.49Å; F16-F63 HydrophobicContact CD2-CE1 3.49Å; F16-F63 VanDerWaalsContact CD2-CE1 3.49Å; F16-F63 HydrophobicContact CD2-CZ 4.19Å; F16-F63 HydrophobicContact CE1-CD1 4.09Å; F16-F63 AromaticContact CE1-CE1 3.83Å; F16-F63 HydrophobicContact CE1-CE1 3.83Å; F16-F63 AromaticContact CE2-CD1 3.89Å; F16-F63 HydrophobicContact CE2-CD1 3.89Å; F16-F63 AromaticContact CE2-CE1 3.42Å; F16-F63 HydrophobicContact CE2-CE1 3.42Å; F16-F63 VanDerWaalsContact CE2-CE1 3.42Å; F16-F63 HydrophobicContact CE2-CZ 4.42Å; F16-F63 AromaticContact CG-CE1 3.72Å; F16-F63 HydrophobicContact CG-CE1 3.72Å; F16-F63 HydrophobicContact CG-CZ 4.43Å; F16-F63 AromaticContact CZ-CD1 3.72Å; F16-F63 HydrophobicContact CZ-CD1 3.72Å; F16-F63 AromaticContact CZ-CE1 3.6Å; F16-F63 HydrophobicContact CZ-CE1 3.6Å; Y27-F63 HydrophobicContact CE1-CE1 4.28Å; Y27-F63 HydrophobicContact CE1-CE2 4.4Å; Y27-F63 AromaticContact CE1-CZ 3.7Å; Y27-F63 HydrophobicContact CE1-CZ 3.7Å; L31-F63 HydrophobicContact CD2-CD2 4.22Å; L31-F63 HydrophobicContact CD2-CE2 3.59Å; L31-F63 HydrophobicContact CD2-CZ 4.47Å; Q59-F63 HydrophobicContact CG-CD1 4.02Å; Q59-F63 HydrophobicContact CG-CE1 3.49Å; Q59-F63 VanDerWaalsContact CG-CE1 3.49Å; Q59-F63 HydrophobicContact CG-CZ 3.96Å; Q59-F63 WeakPolarHBondContact O-CB 3.46Å; Q59-F63 WeakPolarHBondContact O-CD1 3.22Å; Q59-F63 WeakPolarHBondContact O-CG 3.47Å; Q59-F63 PolarHBondContact O-N 2.89Å; F61-F63 VanDerWaalsContact C-N 3.3Å; F61-F63 PolarHBondContact O-N 3.08Å; F63-S66 PolarHBondContact O-OG 3.2Å; F63-L71 HydrophobicContact CB-CB 4.04Å; F63-L71 HydrophobicContact CD2-CB 4.49Å; F63-L71 HydrophobicContact CD2-CD2 3.91Å; F63-L71 HydrophobicContact CE2-CD2 4.14Å; F63-L71 HydrophobicContact CG-CB 4.36Å; F63-L71 HydrophobicContact CG-CD2 4.25Å; F63-L71 WeakPolarHBondContact O-CB 3.43Å; F63-F74 AromaticContact CD2-CD1 3.9Å; F63-F74 HydrophobicContact CD2-CD1 3.9Å; F63-F74 HydrophobicContact CD2-CE1 4.39Å; F63-F74 AromaticContact CE2-CD1 3.98Å; F63-F74 HydrophobicContact CE2-CD1 3.98Å; F63-F74 HydrophobicContact CE2-CE1 4.08Å |
| 64 | Y | 94.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 46.7 Ų | 46.7 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -38.7 | 177.6 | -148.4 | -79.4 | 0 | 0 | 0 | 112.2 | L60 F61 E62 S66 L72 T75 V108 L111 E112 | L60-Y64 PolarHBondContact O-N 2.88Å; F61-Y64 WeakPolarHBondContact O-CA 3.45Å; F61-Y64 WeakPolarHBondContact O-CB 3.34Å; F61-Y64 PolarHBondContact O-N 2.92Å; E62-Y64 VanDerWaalsContact C-N 3.33Å; E62-Y64 PolarHBondContact O-N 2.91Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 3.44Å; Y64-L72 HydrophobicContact CD1-CD2 4.39Å; Y64-L72 HydrophobicContact CD1-CG 4.13Å; Y64-L72 HydrophobicContact CD2-CB 4.48Å; Y64-L72 HydrophobicContact CD2-CG 4.21Å; Y64-L72 HydrophobicContact CE1-CD2 4.01Å; Y64-L72 HydrophobicContact CE1-CG 4.13Å; Y64-L72 HydrophobicContact CE2-CB 4.33Å; Y64-L72 HydrophobicContact CE2-CG 4.23Å; Y64-L72 HydrophobicContact CG-CG 4.17Å; Y64-L72 WeakPolarHBondContact O-CD1 3.19Å; Y64-T75 HydrophobicContact CD2-CG2 3.83Å; Y64-V108 HydrophobicContact CD1-CG1 4.15Å; Y64-V108 HydrophobicContact CD1-CG2 4.25Å; Y64-V108 HydrophobicContact CD2-CG1 4.11Å; Y64-V108 HydrophobicContact CD2-CG2 4.02Å; Y64-V108 HydrophobicContact CE1-CG1 3.81Å; Y64-V108 HydrophobicContact CE2-CG1 3.76Å; Y64-V108 HydrophobicContact CE2-CG2 4.49Å; Y64-V108 HydrophobicContact CG-CG1 4.29Å; Y64-V108 HydrophobicContact CG-CG2 3.88Å; Y64-L111 HydrophobicContact CD1-CD1 4.15Å; Y64-E112 HydrophobicContact CE1-CG 3.91Å; Y64-E112 VanDerWaalsContact OH-CG 3.26Å; Y64-E112 WeakPolarHBondContact OH-CG 3.49Å; Y64-E112 PolarHBondContact OH-OE1 3.15Å |
| 65 | R | 93.7 | Very high | 93.8 | Very high | 151 Ų | 151 | 41.5 Ų | 41.5 | 57% | 0.57 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -66.9 | -27.4 | 179.4 | -170.7 | -177.1 | 178.9 | -169.3 | -1.8 | 113.2 | F61 E62 G67 L111 | F61-R65 WeakPolarHBondContact O-CB 3.48Å; F61-R65 PolarHBondContact O-N 3.5Å; E62-R65 PolarHBondContact O-N 3.34Å; E62-R65 IonicContact OE1-CZ 2.65Å; E62-R65 IonicContact OE1-NH1 2.7Å; E62-R65 PolarHBondContact OE1-NH1 3.37Å; E62-R65 IonicContact OE2-NH1 3.34Å; R65-G67 PolarHBondContact O-N 2.93Å; R65-L111 HydrophobicContact CB-CD1 4.3Å |
| 66 | S | 91.5 | Very high | 93.9 | Very high | 53 Ų | 53 | 40 Ų | 40 | 37% | 0.371 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -24.5 | 179.8 | 74.4 | 0 | 0 | 0 | 0 | 114.6 | E62 F63 Y64 E68 | E62-S66 PolarHBondContact O-N 3Å; F63-S66 PolarHBondContact O-OG 3.2Å; Y64-S66 VanDerWaalsContact C-N 3.29Å; Y64-S66 PolarHBondContact O-N 3.44Å; S66-E68 PolarHBondContact O-N 3.42Å; S66-E68 PolarHBondContact OG-N 3.17Å |
| 67 | G | 87.7 | Confident | 93.9 | Very high | 55 Ų | 55 | 40.7 Ų | 40.7 | 57% | 0.567 | 21% | 0.205 | S | C | * | . | trans | 77.1 | -4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R65 E69 | R65-G67 PolarHBondContact O-N 2.93Å; G67-E69 PolarHBondContact O-N 2.83Å | ||
| 68 | E | 91.3 | Very high | 94 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 30% | 0.304 | 20% | 0.204 | S | C | . | . | trans | -75.4 | 115 | 179.1 | -179.5 | 56.1 | -136.3 | 0 | 0 | 110.8 | A28 S66 Q70 L71 L72 | A28-E68 HydrophobicContact CB-CG 4.11Å; S66-E68 PolarHBondContact O-N 3.42Å; S66-E68 PolarHBondContact OG-N 3.17Å; E68-Q70 HydrophobicContact CG-CB 4.49Å; E68-Q70 PolarHBondContact O-N 3.46Å; E68-L71 HydrophobicContact CB-CB 4.36Å; E68-L71 HydrophobicContact CB-CD1 4.17Å; E68-L71 HydrophobicContact CB-CG 4.2Å; E68-L71 HydrophobicContact CG-CD1 4.45Å; E68-L71 HydrophobicContact CG-CG 4.2Å; E68-L71 PolarHBondContact O-N 3.14Å; E68-L72 WeakPolarHBondContact O-CD1 3.46Å; E68-L72 PolarHBondContact O-N 2.78Å | ||
| 69 | E | 90.8 | Very high | 94.1 | Very high | 120 Ų | 120 | 35.1 Ų | 35.1 | 56% | 0.561 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -55.5 | -32.8 | -170 | -64.9 | -171.3 | 173.6 | 0 | 0 | 113.5 | G67 Q73 | G67-E69 PolarHBondContact O-N 2.83Å; E69-Q73 WeakPolarHBondContact O-CB 3.47Å; E69-Q73 WeakPolarHBondContact O-CG 3.32Å; E69-Q73 PolarHBondContact O-N 2.86Å |
| 70 | Q | 91.8 | Very high | 94.2 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -66.7 | -37.4 | 176.9 | -56.3 | -54.3 | -57.2 | 0 | 0 | 112.4 | A28 E68 F74 | A28-Q70 HydrophobicContact CB-CB 3.76Å; E68-Q70 HydrophobicContact CG-CB 4.49Å; E68-Q70 PolarHBondContact O-N 3.46Å; Q70-F74 WeakPolarHBondContact O-CB 3.28Å; Q70-F74 PolarHBondContact O-N 3.46Å |
| 71 | L | 93.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -76.6 | -38.8 | 177.9 | -63.8 | -176.9 | 0 | 0 | 0 | 111.4 | A28 L31 F63 E68 F74 T75 | A28-L71 HydrophobicContact CB-CD1 4.37Å; A28-L71 HydrophobicContact CB-CD2 3.5Å; A28-L71 HydrophobicContact CB-CG 3.64Å; L31-L71 HydrophobicContact CD2-CD2 3.82Å; F63-L71 HydrophobicContact CB-CB 4.04Å; F63-L71 HydrophobicContact CD2-CB 4.49Å; F63-L71 HydrophobicContact CD2-CD2 3.91Å; F63-L71 HydrophobicContact CE2-CD2 4.14Å; F63-L71 HydrophobicContact CG-CB 4.36Å; F63-L71 HydrophobicContact CG-CD2 4.25Å; F63-L71 WeakPolarHBondContact O-CB 3.43Å; E68-L71 HydrophobicContact CB-CB 4.36Å; E68-L71 HydrophobicContact CB-CD1 4.17Å; E68-L71 HydrophobicContact CB-CG 4.2Å; E68-L71 HydrophobicContact CG-CD1 4.45Å; E68-L71 HydrophobicContact CG-CG 4.2Å; E68-L71 PolarHBondContact O-N 3.14Å; L71-F74 PolarHBondContact O-N 3.18Å; L71-T75 PolarHBondContact O-N 3.33Å |
| 72 | L | 93.8 | Very high | 94.2 | Very high | 35 Ų | 35 | 32.8 Ų | 32.8 | 18% | 0.183 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.8 | -49.1 | 170.6 | -83.7 | 75.2 | 0 | 0 | 0 | 110.7 | Y64 E68 F74 T75 L76 | Y64-L72 HydrophobicContact CD1-CD2 4.39Å; Y64-L72 HydrophobicContact CD1-CG 4.13Å; Y64-L72 HydrophobicContact CD2-CB 4.48Å; Y64-L72 HydrophobicContact CD2-CG 4.21Å; Y64-L72 HydrophobicContact CE1-CD2 4.01Å; Y64-L72 HydrophobicContact CE1-CG 4.13Å; Y64-L72 HydrophobicContact CE2-CB 4.33Å; Y64-L72 HydrophobicContact CE2-CG 4.23Å; Y64-L72 HydrophobicContact CG-CG 4.17Å; Y64-L72 WeakPolarHBondContact O-CD1 3.19Å; E68-L72 WeakPolarHBondContact O-CD1 3.46Å; E68-L72 PolarHBondContact O-N 2.78Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 3.24Å; L72-T75 PolarHBondContact O-N 2.86Å; L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.09Å |
| 73 | Q | 93.7 | Very high | 94.3 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 9% | 0.093 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.8 | -41.5 | 175.6 | -74.2 | 168.2 | 20.9 | 0 | 0 | 112.2 | E69 L76 Q77 M195 | E69-Q73 WeakPolarHBondContact O-CB 3.47Å; E69-Q73 WeakPolarHBondContact O-CG 3.32Å; E69-Q73 PolarHBondContact O-N 2.86Å; Q73-L76 PolarHBondContact O-N 3.41Å; Q73-Q77 PolarHBondContact O-N 3.39Å; Q73-Q77 VanDerWaalsContact O-N 3.15Å; Q73-M195 HydrophobicContact CB-CE 4.48Å |
| 74 | F | 95.1 | Very high | 94.3 | Very high | 7 Ų | 7 | 31.2 Ų | 31.2 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 178.9 | -177.7 | -91.2 | 0 | 0 | 0 | 112.4 | W12 L31 L37 V38 L41 L60 F63 Q70 L71 L72 Q77 F78 | W12-F74 HydrophobicContact CZ2-CE1 4.25Å; L31-F74 HydrophobicContact CD1-CE2 4.28Å; L31-F74 HydrophobicContact CD1-CZ 4.24Å; L31-F74 HydrophobicContact CD2-CB 3.92Å; L31-F74 HydrophobicContact CD2-CD1 3.63Å; L31-F74 HydrophobicContact CD2-CD2 3.42Å; L31-F74 VanDerWaalsContact CD2-CD2 3.42Å; L31-F74 HydrophobicContact CD2-CE1 3.89Å; L31-F74 HydrophobicContact CD2-CE2 3.71Å; L31-F74 HydrophobicContact CD2-CG 3.36Å; L31-F74 HydrophobicContact CD2-CZ 3.92Å; L31-F74 HydrophobicContact CG-CD2 3.68Å; L31-F74 HydrophobicContact CG-CE1 4.43Å; L31-F74 HydrophobicContact CG-CE2 3.58Å; L31-F74 HydrophobicContact CG-CG 4.17Å; L31-F74 HydrophobicContact CG-CZ 3.97Å; L37-F74 HydrophobicContact CD2-CZ 4.35Å; V38-F74 HydrophobicContact CG2-CE2 3.77Å; V38-F74 HydrophobicContact CG2-CZ 4.33Å; L41-F74 HydrophobicContact CD1-CE1 3.88Å; L41-F74 HydrophobicContact CD1-CZ 3.66Å; L60-F74 HydrophobicContact CD2-CD1 4.12Å; L60-F74 HydrophobicContact CD2-CE1 4.01Å; F63-F74 AromaticContact CD2-CD1 3.9Å; F63-F74 HydrophobicContact CD2-CD1 3.9Å; F63-F74 HydrophobicContact CD2-CE1 4.39Å; F63-F74 AromaticContact CE2-CD1 3.98Å; F63-F74 HydrophobicContact CE2-CD1 3.98Å; F63-F74 HydrophobicContact CE2-CE1 4.08Å; Q70-F74 WeakPolarHBondContact O-CB 3.28Å; Q70-F74 PolarHBondContact O-N 3.46Å; L71-F74 PolarHBondContact O-N 3.18Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 PolarHBondContact O-N 3.24Å; F74-Q77 VanDerWaalsContact CD2-NE2 3.25Å; F74-Q77 VanDerWaalsContact O-CG 3.32Å; F74-Q77 WeakPolarHBondContact O-CG 3.13Å; F74-Q77 PolarHBondContact O-NE2 3.28Å; F74-F78 HydrophobicContact CD1-CE2 4.02Å; F74-F78 AromaticContact CE1-CE2 3.69Å; F74-F78 HydrophobicContact CE1-CE2 3.69Å; F74-F78 HydrophobicContact CE1-CZ 4.33Å; F74-F78 AromaticContact CZ-CE2 3.96Å; F74-F78 HydrophobicContact CZ-CE2 3.96Å; F74-F78 HydrophobicContact CZ-CZ 4.16Å; F74-F78 VanDerWaalsContact O-CD2 3.27Å; F74-F78 WeakPolarHBondContact O-CD2 3.26Å; F74-F78 VanDerWaalsContact O-CE2 3.27Å; F74-F78 WeakPolarHBondContact O-CE2 3.37Å |
| 75 | T | 96.3 | Very high | 94.2 | Very high | 6 Ų | 6 | 31.1 Ų | 31.1 | 4% | 0.037 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.5 | -41.8 | 174.7 | -69 | 0 | 0 | 0 | 0 | 111.4 | L60 Y64 L71 L72 Q77 F78 | L60-T75 HydrophobicContact CB-CG2 4.02Å; L60-T75 WeakPolarHBondContact O-CG2 3.45Å; L60-T75 PolarHBondContact O-OG1 3.2Å; Y64-T75 HydrophobicContact CD2-CG2 3.83Å; L71-T75 PolarHBondContact O-N 3.33Å; L72-T75 PolarHBondContact O-N 2.86Å; T75-Q77 VanDerWaalsContact C-N 3.27Å; T75-Q77 PolarHBondContact O-N 2.94Å; T75-F78 PolarHBondContact O-N 2.95Å; T75-F78 VanDerWaalsContact O-N 3.16Å |
| 76 | L | 96.1 | Very high | 94.2 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 6% | 0.058 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.7 | -27.5 | -175.1 | -164.1 | 60.6 | 0 | 0 | 0 | 113.1 | L72 Q73 F78 L79 Y188 A191 M195 | L72-L76 WeakPolarHBondContact O-CB 3.42Å; L72-L76 PolarHBondContact O-N 3.09Å; Q73-L76 PolarHBondContact O-N 3.41Å; L76-F78 PolarHBondContact O-N 2.91Å; L76-L79 HydrophobicContact CD1-CB 4.27Å; L76-L79 HydrophobicContact CD1-CD2 4.04Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.47Å; L76-Y188 HydrophobicContact CG-CD2 4.13Å; L76-Y188 WeakPolarHBondContact O-CD2 3.49Å; L76-A191 HydrophobicContact CD2-CB 3.73Å; L76-M195 HydrophobicContact CB-CE 4.3Å; L76-M195 HydrophobicContact CD2-CE 4.28Å; L76-M195 HydrophobicContact CG-CE 4.41Å |
| 77 | Q | 95.6 | Very high | 94.3 | Very high | 14 Ų | 14 | 21.9 Ų | 21.9 | 7% | 0.065 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -29.9 | 175.8 | 93.7 | -169.4 | -74.6 | 0 | 0 | 113.1 | Y42 Q73 F74 T75 M195 P196 S199 | Y42-Q77 PolarHBondContact OH-O 3.02Å; Q73-Q77 PolarHBondContact O-N 3.39Å; Q73-Q77 VanDerWaalsContact O-N 3.15Å; F74-Q77 VanDerWaalsContact CD2-NE2 3.25Å; F74-Q77 VanDerWaalsContact O-CG 3.32Å; F74-Q77 WeakPolarHBondContact O-CG 3.13Å; F74-Q77 PolarHBondContact O-NE2 3.28Å; T75-Q77 VanDerWaalsContact C-N 3.27Å; T75-Q77 PolarHBondContact O-N 2.94Å; Q77-M195 HydrophobicContact CB-SD 4.25Å; Q77-P196 HydrophobicContact CB-CG 4.34Å; Q77-S199 WeakPolarHBondContact CA-OG 3.4Å; Q77-S199 WeakPolarHBondContact O-CB 3.33Å; Q77-S199 PolarHBondContact O-OG 2.97Å |
| 78 | F | 97.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -8.1 | -179.4 | -57 | -71.5 | 0 | 0 | 0 | 113 | V38 L41 Y42 I45 L60 F74 T75 L76 P80 E81 L82 | V38-F78 HydrophobicContact CG1-CE1 4.07Å; V38-F78 HydrophobicContact CG1-CZ 4.09Å; L41-F78 HydrophobicContact CB-CE1 3.79Å; L41-F78 HydrophobicContact CB-CZ 3.79Å; L41-F78 HydrophobicContact CD1-CE2 4.06Å; L41-F78 HydrophobicContact CD1-CZ 3.72Å; L41-F78 HydrophobicContact CG-CZ 4.43Å; Y42-F78 HydrophobicContact CD1-CD1 4.12Å; Y42-F78 AromaticContact CD2-CD1 3.97Å; Y42-F78 HydrophobicContact CD2-CD1 3.97Å; Y42-F78 AromaticContact CD2-CE1 3.63Å; Y42-F78 HydrophobicContact CD2-CE1 3.63Å; Y42-F78 AromaticContact CE1-CD1 3.94Å; Y42-F78 HydrophobicContact CE1-CD1 3.94Å; Y42-F78 AromaticContact CE2-CD1 3.78Å; Y42-F78 HydrophobicContact CE2-CD1 3.78Å; Y42-F78 AromaticContact CE2-CE1 3.62Å; Y42-F78 HydrophobicContact CE2-CE1 3.62Å; Y42-F78 HydrophobicContact CG-CD1 4.12Å; Y42-F78 HydrophobicContact CG-CE1 4.12Å; Y42-F78 AromaticContact CZ-CD1 3.76Å; I45-F78 HydrophobicContact CD1-CB 3.76Å; I45-F78 HydrophobicContact CD1-CD1 3.94Å; I45-F78 HydrophobicContact CD1-CG 3.92Å; L60-F78 HydrophobicContact CD1-CD2 4.35Å; L60-F78 HydrophobicContact CD2-CD2 4.18Å; L60-F78 HydrophobicContact CD2-CE2 4.27Å; F74-F78 HydrophobicContact CD1-CE2 4.02Å; F74-F78 AromaticContact CE1-CE2 3.69Å; F74-F78 HydrophobicContact CE1-CE2 3.69Å; F74-F78 HydrophobicContact CE1-CZ 4.33Å; F74-F78 AromaticContact CZ-CE2 3.96Å; F74-F78 HydrophobicContact CZ-CE2 3.96Å; F74-F78 HydrophobicContact CZ-CZ 4.16Å; F74-F78 VanDerWaalsContact O-CD2 3.27Å; F74-F78 WeakPolarHBondContact O-CD2 3.26Å; F74-F78 VanDerWaalsContact O-CE2 3.27Å; F74-F78 WeakPolarHBondContact O-CE2 3.37Å; T75-F78 PolarHBondContact O-N 2.95Å; T75-F78 VanDerWaalsContact O-N 3.16Å; L76-F78 PolarHBondContact O-N 2.91Å; F78-P80 VanDerWaalsContact C-CD 3.47Å; F78-E81 PolarHBondContact O-N 2.96Å; F78-E81 VanDerWaalsContact O-N 3.1Å; F78-L82 HydrophobicContact CB-CD1 4.21Å; F78-L82 HydrophobicContact CB-CG 4.5Å; F78-L82 WeakPolarHBondContact O-CG 3.24Å; F78-L82 PolarHBondContact O-N 3.27Å |
| 79 | L | 97.5 | Very high | 94.3 | Very high | 6 Ų | 6 | 17.2 Ų | 17.2 | 3% | 0.031 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -52.4 | -45.5 | -175.8 | -174.4 | 78.9 | 0 | 0 | 0 | 113.3 | L76 E81 L82 I83 L105 L184 Y188 | L76-L79 HydrophobicContact CD1-CB 4.27Å; L76-L79 HydrophobicContact CD1-CD2 4.04Å; L76-L79 WeakPolarHBondContact O-CB 3.47Å; L76-L79 PolarHBondContact O-N 3.47Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 3.37Å; L79-L82 PolarHBondContact O-N 3.08Å; L79-I83 HydrophobicContact CD1-CD1 4.3Å; L79-I83 HydrophobicContact CD1-CG1 4.33Å; L79-I83 HydrophobicContact CD2-CD1 4.05Å; L79-I83 HydrophobicContact CG-CD1 3.81Å; L79-I83 HydrophobicContact CG-CG1 4.16Å; L79-I83 WeakPolarHBondContact O-CB 3.19Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.24Å; L79-I83 PolarHBondContact O-N 3.39Å; L79-L105 HydrophobicContact CD1-CD2 3.53Å; L79-L184 HydrophobicContact CD1-CB 4.18Å; L79-L184 HydrophobicContact CD1-CD1 4.43Å; L79-L184 HydrophobicContact CD2-CB 4.05Å; L79-L184 VanDerWaalsContact CD2-O 3.25Å; L79-L184 WeakPolarHBondContact CD2-O 3.28Å; L79-Y188 HydrophobicContact CB-CD2 4.28Å; L79-Y188 HydrophobicContact CD2-CD2 4.43Å; L79-Y188 HydrophobicContact CD2-CG 4.42Å |
| 80 | P | 97.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.013 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -57.9 | -42.5 | -180 | -23.9 | 35 | 0 | 0 | 0 | 112.4 | F78 I83 W84 Y188 L203 I206 | F78-P80 VanDerWaalsContact C-CD 3.47Å; P80-I83 PolarHBondContact O-N 3.5Å; P80-W84 PolarHBondContact O-N 2.98Å; P80-Y188 HydrophobicContact CG-CD2 4.3Å; P80-Y188 HydrophobicContact CG-CE2 3.77Å; P80-L203 HydrophobicContact CB-CB 4.23Å; P80-L203 HydrophobicContact CB-CD1 4.17Å; P80-L203 HydrophobicContact CG-CB 4.03Å; P80-L203 HydrophobicContact CG-CD1 3.99Å; P80-I206 VanDerWaalsContact C-CD1 3.41Å; P80-I206 HydrophobicContact CB-CD1 4.09Å; P80-I206 VanDerWaalsContact O-CD1 3.29Å; P80-I206 WeakPolarHBondContact O-CD1 3.43Å |
| 81 | E | 96.4 | Very high | 93.8 | Very high | 6 Ų | 6 | 12.3 Ų | 12.3 | 3% | 0.028 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.2 | -43 | 179.4 | -151.2 | 76.3 | -141.1 | 0 | 0 | 111.9 | Y42 I45 Q46 F78 L79 I83 W84 C85 S202 I206 | Y42-E81 HydrophobicContact CD1-CB 4.15Å; Y42-E81 HydrophobicContact CD1-CG 4.05Å; Y42-E81 HydrophobicContact CE1-CB 4.08Å; Y42-E81 HydrophobicContact CE1-CG 4.44Å; I45-E81 HydrophobicContact CG2-CB 4Å; I45-E81 HydrophobicContact CG2-CG 3.85Å; Q46-E81 HydrophobicContact CG-CG 3.93Å; Q46-E81 VanDerWaalsContact CG-OE1 3.25Å; Q46-E81 WeakPolarHBondContact CG-OE1 3.49Å; Q46-E81 PolarHBondContact NE2-OE1 3.43Å; Q46-E81 PolarHBondContact NE2-OE2 3.09Å; F78-E81 PolarHBondContact O-N 2.96Å; F78-E81 VanDerWaalsContact O-N 3.1Å; L79-E81 VanDerWaalsContact C-N 3.29Å; L79-E81 PolarHBondContact O-N 3.37Å; E81-I83 VanDerWaalsContact C-N 3.34Å; E81-I83 PolarHBondContact O-N 3.16Å; E81-W84 PolarHBondContact O-N 3.46Å; E81-C85 PolarHBondContact O-N 2.98Å; E81-C85 PolarHBondContact O-SG 3.38Å; E81-S202 PolarHBondContact OE2-OG 3.12Å; E81-I206 HydrophobicContact CB-CD1 4.28Å |
| 82 | L | 96.4 | Very high | 93.1 | Very high | 3 Ų | 3 | 15 Ų | 15 | 2% | 0.016 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.3 | -44.2 | 174.6 | -68.8 | 166.1 | 0 | 0 | 0 | 111.5 | I45 F78 L79 C85 Y86 I101 L104 L105 | I45-L82 HydrophobicContact CD1-CD2 4.08Å; I45-L82 HydrophobicContact CD1-CG 4.32Å; I45-L82 HydrophobicContact CG1-CD2 4.15Å; I45-L82 HydrophobicContact CG2-CD2 3.85Å; I45-L82 HydrophobicContact CG2-CG 4.23Å; F78-L82 HydrophobicContact CB-CD1 4.21Å; F78-L82 HydrophobicContact CB-CG 4.5Å; F78-L82 WeakPolarHBondContact O-CG 3.24Å; F78-L82 PolarHBondContact O-N 3.27Å; L79-L82 PolarHBondContact O-N 3.08Å; L82-C85 PolarHBondContact O-N 3.13Å; L82-Y86 WeakPolarHBondContact O-CB 3.42Å; L82-Y86 PolarHBondContact O-N 3.3Å; L82-I101 HydrophobicContact CB-CG2 4.18Å; L82-I101 HydrophobicContact CD2-CD1 4.43Å; L82-I101 HydrophobicContact CD2-CG1 4.16Å; L82-I101 HydrophobicContact CD2-CG2 4.06Å; L82-I101 WeakPolarHBondContact O-CG2 3.28Å; L82-L104 HydrophobicContact CD1-CD2 3.65Å; L82-L104 HydrophobicContact CD2-CD2 4.05Å; L82-L105 HydrophobicContact CB-CD2 4.13Å |
| 83 | I | 96.2 | Very high | 91.9 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -60.6 | -45.8 | 174.7 | -70.7 | -178.8 | 0 | 0 | 0 | 111 | L79 P80 E81 L87 L105 L181 I210 F236 | L79-I83 HydrophobicContact CD1-CD1 4.3Å; L79-I83 HydrophobicContact CD1-CG1 4.33Å; L79-I83 HydrophobicContact CD2-CD1 4.05Å; L79-I83 HydrophobicContact CG-CD1 3.81Å; L79-I83 HydrophobicContact CG-CG1 4.16Å; L79-I83 WeakPolarHBondContact O-CB 3.19Å; L79-I83 VanDerWaalsContact O-CG1 3.25Å; L79-I83 WeakPolarHBondContact O-CG1 3.24Å; L79-I83 PolarHBondContact O-N 3.39Å; P80-I83 PolarHBondContact O-N 3.5Å; E81-I83 VanDerWaalsContact C-N 3.34Å; E81-I83 PolarHBondContact O-N 3.16Å; I83-L87 HydrophobicContact CG2-CD1 3.97Å; I83-L87 WeakPolarHBondContact O-CB 3.41Å; I83-L87 WeakPolarHBondContact O-CG 3.29Å; I83-L87 PolarHBondContact O-N 3.31Å; I83-L105 HydrophobicContact CG1-CD2 4.29Å; I83-L181 HydrophobicContact CB-CD2 4.45Å; I83-L181 HydrophobicContact CD1-CD2 4.26Å; I83-L181 HydrophobicContact CG1-CD2 3.79Å; I83-L181 HydrophobicContact CG2-CD2 4.3Å; I83-I210 HydrophobicContact CG2-CD1 4.42Å; I83-F236 HydrophobicContact CG2-CZ 3.86Å |
| 84 | W | 94.8 | Very high | 90.5 | Very high | 32 Ų | 32 | 26.7 Ų | 26.7 | 12% | 0.121 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.7 | -49.7 | 177.3 | 170.7 | -112.3 | 0 | 0 | 0 | 111.7 | P80 E81 Y86 L87 A88 I206 R209 I210 I230 | P80-W84 PolarHBondContact O-N 2.98Å; E81-W84 PolarHBondContact O-N 3.46Å; W84-Y86 PolarHBondContact O-N 3.01Å; W84-L87 PolarHBondContact O-N 2.84Å; W84-A88 HydrophobicContact CZ2-CB 4.42Å; W84-A88 WeakPolarHBondContact O-CB 3.37Å; W84-A88 PolarHBondContact O-N 3.35Å; W84-I206 HydrophobicContact CB-CB 4.46Å; W84-I206 HydrophobicContact CB-CD1 3.76Å; W84-I206 HydrophobicContact CB-CG1 3.92Å; W84-I206 HydrophobicContact CB-CG2 3.77Å; W84-I206 HydrophobicContact CG-CD1 4.39Å; W84-I206 HydrophobicContact CG-CG1 4.2Å; W84-R209 HydrophobicContact CE3-CB 4.33Å; W84-R209 HydrophobicContact CH2-CB 3.94Å; W84-R209 HydrophobicContact CZ2-CB 4.47Å; W84-R209 HydrophobicContact CZ3-CB 3.87Å; W84-I210 HydrophobicContact CE3-CD1 4.38Å; W84-I210 HydrophobicContact CE3-CG1 3.59Å; W84-I210 HydrophobicContact CZ3-CG1 3.87Å; W84-I230 HydrophobicContact CZ3-CD1 4.03Å |
| 85 | C | 93 | Very high | 88.6 | Confident | 9 Ų | 9 | 31.8 Ų | 31.8 | 6% | 0.061 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -41.6 | -178.5 | -70.1 | 0 | 0 | 0 | 0 | 111.8 | I45 E81 L82 A88 V89 I101 | I45-C85 PolarHBondContact O-SG 3.08Å; E81-C85 PolarHBondContact O-N 2.98Å; E81-C85 PolarHBondContact O-SG 3.38Å; L82-C85 PolarHBondContact O-N 3.13Å; C85-A88 PolarHBondContact O-N 3.26Å; C85-V89 WeakPolarHBondContact O-CB 3.26Å; C85-V89 WeakPolarHBondContact O-CG2 3.38Å; C85-V89 PolarHBondContact O-N 3.22Å; C85-I101 HydrophobicContact CB-CD1 3.84Å |
| 86 | Y | 93.4 | Very high | 86.8 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.3 | -52.6 | 171.3 | 171.1 | -102.5 | 0 | 0 | 0 | 112.3 | L82 W84 A88 V89 S90 E102 L105 L172 R177 L181 | L82-Y86 WeakPolarHBondContact O-CB 3.42Å; L82-Y86 PolarHBondContact O-N 3.3Å; W84-Y86 PolarHBondContact O-N 3.01Å; Y86-A88 VanDerWaalsContact C-N 3.34Å; Y86-A88 PolarHBondContact O-N 2.88Å; Y86-V89 PolarHBondContact O-N 2.81Å; Y86-S90 WeakPolarHBondContact O-CB 3.48Å; Y86-S90 PolarHBondContact O-N 3.32Å; Y86-E102 HydrophobicContact CD2-CB 4.28Å; Y86-E102 HydrophobicContact CE2-CB 4.19Å; Y86-E102 HydrophobicContact CE2-CG 4.3Å; Y86-L105 HydrophobicContact CG-CD1 4.15Å; Y86-L172 HydrophobicContact CE1-CD1 4.28Å; Y86-L172 HydrophobicContact CE2-CD1 3.94Å; Y86-R177 HydrophobicContact CE1-CB 4.42Å; Y86-L181 HydrophobicContact CD1-CD1 4.14Å; Y86-L181 HydrophobicContact CD1-CD2 4.36Å; Y86-L181 HydrophobicContact CE1-CD1 4.03Å |
| 87 | L | 92.8 | Very high | 85.1 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.4 | -35.5 | -178.4 | -70.1 | 175.8 | 0 | 0 | 0 | 112.5 | I83 W84 A91 F178 L181 I210 I230 | I83-L87 HydrophobicContact CG2-CD1 3.97Å; I83-L87 WeakPolarHBondContact O-CB 3.41Å; I83-L87 WeakPolarHBondContact O-CG 3.29Å; I83-L87 PolarHBondContact O-N 3.31Å; W84-L87 PolarHBondContact O-N 2.84Å; L87-A91 VanDerWaalsContact O-CB 3.24Å; L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.39Å; L87-F178 HydrophobicContact CD1-CE1 4.48Å; L87-F178 HydrophobicContact CD1-CZ 4.32Å; L87-F178 HydrophobicContact CD2-CE1 4.47Å; L87-F178 HydrophobicContact CD2-CE2 4.28Å; L87-F178 HydrophobicContact CD2-CZ 3.74Å; L87-L181 HydrophobicContact CD1-CD1 4.48Å; L87-L181 HydrophobicContact CD2-CD1 3.88Å; L87-L181 HydrophobicContact CG-CD1 4.3Å; L87-I210 HydrophobicContact CD1-CD1 3.9Å; L87-I210 HydrophobicContact CD1-CG1 4.42Å; L87-I230 HydrophobicContact CB-CD1 4.28Å; L87-I230 HydrophobicContact CB-CG2 4.35Å; L87-I230 HydrophobicContact CD1-CG2 4.36Å; L87-I230 HydrophobicContact CD2-CG2 4.2Å |
| 88 | A | 90.3 | Very high | 83.7 | Confident | 10 Ų | 10 | 41 Ų | 41 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -66.9 | -49.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | W84 C85 Y86 A91 S92 I226 | W84-A88 HydrophobicContact CZ2-CB 4.42Å; W84-A88 WeakPolarHBondContact O-CB 3.37Å; W84-A88 PolarHBondContact O-N 3.35Å; C85-A88 PolarHBondContact O-N 3.26Å; Y86-A88 VanDerWaalsContact C-N 3.34Å; Y86-A88 PolarHBondContact O-N 2.88Å; A88-A91 PolarHBondContact O-N 3.33Å; A88-S92 PolarHBondContact O-N 3.06Å; A88-I226 HydrophobicContact CB-CD1 3.77Å; A88-I226 VanDerWaalsContact O-CD1 3.27Å; A88-I226 WeakPolarHBondContact O-CD1 3.49Å |
| 89 | V | 88.6 | Confident | 83.1 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 7% | 0.073 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.3 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | P48 C85 Y86 A91 S92 R93 N94 S98 | P48-V89 HydrophobicContact CB-CG2 4.08Å; P48-V89 HydrophobicContact CG-CG2 4.46Å; C85-V89 WeakPolarHBondContact O-CB 3.26Å; C85-V89 WeakPolarHBondContact O-CG2 3.38Å; C85-V89 PolarHBondContact O-N 3.22Å; Y86-V89 PolarHBondContact O-N 2.81Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.19Å; V89-S92 PolarHBondContact O-N 3.3Å; V89-S92 PolarHBondContact O-OG 3.5Å; V89-R93 PolarHBondContact O-N 3.2Å; V89-N94 WeakPolarHBondContact CG1-O 3.47Å; V89-S98 WeakPolarHBondContact CG1-OG 3.47Å |
| 90 | S | 87.7 | Confident | 82.7 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 33% | 0.329 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.8 | -42 | 172.1 | -172 | 0 | 0 | 0 | 0 | 112.1 | Y86 R93 R177 | Y86-S90 WeakPolarHBondContact O-CB 3.48Å; Y86-S90 PolarHBondContact O-N 3.32Å; S90-R93 PolarHBondContact O-N 2.96Å; S90-R177 PolarHBondContact OG-NH1 3.2Å; S90-R177 VanDerWaalsContact OG-NH1 3.1Å |
| 91 | A | 84.9 | Confident | 82.6 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.3 | -21.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | L87 A88 V89 I226 I230 | L87-A91 VanDerWaalsContact O-CB 3.24Å; L87-A91 WeakPolarHBondContact O-CB 3.37Å; L87-A91 PolarHBondContact O-N 3.39Å; A88-A91 PolarHBondContact O-N 3.33Å; V89-A91 VanDerWaalsContact C-N 3.32Å; V89-A91 PolarHBondContact O-N 3.19Å; A91-I226 HydrophobicContact CB-CG2 4.26Å; A91-I230 HydrophobicContact CB-CG1 4.15Å |
| 92 | S | 77.6 | Confident | 82.4 | Confident | 55 Ų | 55 | 46.8 Ų | 46.8 | 39% | 0.385 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -87.3 | -5.8 | 177.3 | 74.4 | 0 | 0 | 0 | 0 | 114 | A88 V89 N94 | A88-S92 PolarHBondContact O-N 3.06Å; V89-S92 PolarHBondContact O-N 3.3Å; V89-S92 PolarHBondContact O-OG 3.5Å; S92-N94 PolarHBondContact O-N 3.19Å |
| 93 | R | 69.2 | Low | 82.3 | Confident | 221 Ų | 221 | 49.5 Ų | 49.5 | 83% | 0.834 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 13.5 | -175.2 | -54.1 | -176 | 178.2 | -168.2 | -1 | 114.9 | V89 S90 V95 | V89-R93 PolarHBondContact O-N 3.2Å; S90-R93 PolarHBondContact O-N 2.96Å; R93-V95 VanDerWaalsContact C-N 3.31Å; R93-V95 PolarHBondContact O-N 3.16Å; R93-V95 VanDerWaalsContact O-N 3.11Å |
| 94 | N | 63.8 | Low | 82.3 | Confident | 80 Ų | 80 | 49.5 Ų | 49.5 | 43% | 0.428 | 28% | 0.28 | S | S | . | . | trans | -88.7 | 68.5 | 177.8 | -163.6 | -6.6 | 0 | 0 | 0 | 111.3 | V89 S92 H96 S97 | V89-N94 WeakPolarHBondContact CG1-O 3.47Å; S92-N94 PolarHBondContact O-N 3.19Å; N94-H96 PolarHBondContact O-N 3.01Å; N94-H96 VanDerWaalsContact O-N 3.11Å; N94-S97 PolarHBondContact O-N 2.83Å | ||
| 95 | V | 56.8 | Low | 82.4 | Confident | 115 Ų | 115 | 48 Ų | 48 | 70% | 0.697 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -60 | -25.4 | -167.2 | -175.9 | 0 | 0 | 0 | 0 | 113.6 | R93 S97 | R93-V95 VanDerWaalsContact C-N 3.31Å; R93-V95 PolarHBondContact O-N 3.16Å; R93-V95 VanDerWaalsContact O-N 3.11Å; V95-S97 VanDerWaalsContact C-N 3.25Å; V95-S97 PolarHBondContact O-N 3.2Å |
| 96 | H | 56.9 | Low | 82.6 | Confident | 186 Ų | 186 | 48.4 Ų | 48.4 | 86% | 0.861 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -74.2 | -7.6 | -177.3 | -60.6 | -41.1 | 0 | 0 | 0 | 114.8 | N94 | N94-H96 PolarHBondContact O-N 3.01Å; N94-H96 VanDerWaalsContact O-N 3.11Å |
| 97 | S | 60.4 | Low | 82.8 | Confident | 28 Ų | 28 | 48.7 Ų | 48.7 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -101.2 | -0.6 | -168.5 | -150.4 | 0 | 0 | 0 | 0 | 116 | P48 N94 V95 | P48-S97 PolarHBondContact O-OG 3.34Å; N94-S97 PolarHBondContact O-N 2.83Å; V95-S97 VanDerWaalsContact C-N 3.25Å; V95-S97 PolarHBondContact O-N 3.2Å |
| 98 | S | 66 | Low | 83 | Confident | 11 Ų | 11 | 48.9 Ų | 48.9 | 8% | 0.077 | 28% | 0.283 | C | S | . | . | trans | -140.3 | 12.3 | -170.1 | 65.1 | 0 | 0 | 0 | 0 | 117.3 | V89 C100 I101 E102 | V89-S98 WeakPolarHBondContact CG1-OG 3.47Å; S98-C100 PolarHBondContact O-N 3.18Å; S98-I101 PolarHBondContact O-N 2.97Å; S98-I101 VanDerWaalsContact O-N 3.15Å; S98-E102 PolarHBondContact O-N 2.68Å; S98-E102 VanDerWaalsContact O-N 3.14Å | ||
| 99 | G | 84.4 | Confident | 83.3 | Confident | 48 Ų | 48 | 48.4 Ų | 48.4 | 50% | 0.495 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -55.9 | -35 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114 | E102 A103 | G99-E102 PolarHBondContact O-N 2.85Å; G99-A103 WeakPolarHBondContact O-CB 3.22Å; G99-A103 PolarHBondContact O-N 3.03Å |
| 100 | C | 90.3 | Very high | 83.7 | Confident | 38 Ų | 38 | 49.4 Ų | 49.4 | 26% | 0.257 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 179.3 | -46.9 | 0 | 0 | 0 | 0 | 113.1 | E54 C57 S98 L104 | E54-C100 HydrophobicContact CB-CB 4.4Å; E54-C100 VanDerWaalsContact CB-SG 3.58Å; C57-C100 HydrophobicContact CB-CB 4.08Å; S98-C100 PolarHBondContact O-N 3.18Å; C100-L104 WeakPolarHBondContact O-CB 3.48Å; C100-L104 PolarHBondContact O-N 3.1Å |
| 101 | I | 93.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.8 | -41.8 | 175.5 | -62.8 | 178.8 | 0 | 0 | 0 | 109.7 | L53 L82 C85 S98 L104 L105 | L53-I101 HydrophobicContact CD1-CD1 4.27Å; L53-I101 HydrophobicContact CD1-CG1 4.29Å; L53-I101 HydrophobicContact CD2-CD1 4.11Å; L53-I101 HydrophobicContact CD2-CG1 4.39Å; L82-I101 HydrophobicContact CB-CG2 4.18Å; L82-I101 HydrophobicContact CD2-CD1 4.43Å; L82-I101 HydrophobicContact CD2-CG1 4.16Å; L82-I101 HydrophobicContact CD2-CG2 4.06Å; L82-I101 WeakPolarHBondContact O-CG2 3.28Å; C85-I101 HydrophobicContact CB-CD1 3.84Å; S98-I101 PolarHBondContact O-N 2.97Å; S98-I101 VanDerWaalsContact O-N 3.15Å; I101-L104 PolarHBondContact O-N 3.02Å; I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.24Å; I101-L105 WeakPolarHBondContact O-CB 3.43Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.49Å; I101-L105 PolarHBondContact O-N 3.4Å |
| 102 | E | 93.4 | Very high | 84.6 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.6 | -47.3 | 175.4 | 175.6 | 164 | 160.3 | 0 | 0 | 111.5 | Y86 S98 G99 L104 L105 L106 L172 | Y86-E102 HydrophobicContact CD2-CB 4.28Å; Y86-E102 HydrophobicContact CE2-CB 4.19Å; Y86-E102 HydrophobicContact CE2-CG 4.3Å; S98-E102 PolarHBondContact O-N 2.68Å; S98-E102 VanDerWaalsContact O-N 3.14Å; G99-E102 PolarHBondContact O-N 2.85Å; E102-L104 PolarHBondContact O-N 3Å; E102-L105 PolarHBondContact O-N 3.37Å; E102-L106 WeakPolarHBondContact O-CB 3.37Å; E102-L106 PolarHBondContact O-N 2.89Å; E102-L172 HydrophobicContact CG-CB 4.13Å; E102-L172 HydrophobicContact CG-CD1 3.91Å; E102-L172 HydrophobicContact CG-CG 3.98Å; E102-L172 WeakPolarHBondContact OE1-CB 3.36Å; E102-L172 PolarHBondContact OE1-N 3.34Å |
| 103 | A | 94.3 | Very high | 85.4 | Confident | 60 Ų | 60 | 48.8 Ų | 48.8 | 50% | 0.496 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.4 | -42.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G99 G107 | G99-A103 WeakPolarHBondContact O-CB 3.22Å; G99-A103 PolarHBondContact O-N 3.03Å; A103-G107 PolarHBondContact O-N 3.15Å |
| 104 | L | 96.5 | Very high | 86.5 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -51.2 | 175.3 | 170.5 | 61.6 | 0 | 0 | 0 | 111.7 | C57 L60 F61 L82 C100 I101 E102 L106 G107 V108 | C57-L104 HydrophobicContact CB-CB 4.3Å; C57-L104 HydrophobicContact CB-CD2 4.17Å; L60-L104 HydrophobicContact CB-CD1 4.32Å; L60-L104 HydrophobicContact CB-CD2 4.2Å; L60-L104 HydrophobicContact CD1-CD2 4.36Å; F61-L104 HydrophobicContact CB-CD1 3.72Å; F61-L104 HydrophobicContact CD2-CD1 4.47Å; L82-L104 HydrophobicContact CD1-CD2 3.65Å; L82-L104 HydrophobicContact CD2-CD2 4.05Å; C100-L104 WeakPolarHBondContact O-CB 3.48Å; C100-L104 PolarHBondContact O-N 3.1Å; I101-L104 PolarHBondContact O-N 3.02Å; E102-L104 PolarHBondContact O-N 3Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 2.84Å; L104-G107 PolarHBondContact O-N 3.28Å; L104-V108 HydrophobicContact CD1-CG2 3.88Å; L104-V108 WeakPolarHBondContact O-CB 3.4Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.28Å; L104-V108 PolarHBondContact O-N 3.25Å |
| 105 | L | 97.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.2 | -42.9 | -179.7 | -69 | 171.7 | 0 | 0 | 0 | 111.3 | L79 L82 I83 Y86 I101 E102 Y109 L181 L184 | L79-L105 HydrophobicContact CD1-CD2 3.53Å; L82-L105 HydrophobicContact CB-CD2 4.13Å; I83-L105 HydrophobicContact CG1-CD2 4.29Å; Y86-L105 HydrophobicContact CG-CD1 4.15Å; I101-L105 HydrophobicContact CG2-CD1 3.83Å; I101-L105 HydrophobicContact CG2-CG 4.24Å; I101-L105 WeakPolarHBondContact O-CB 3.43Å; I101-L105 VanDerWaalsContact O-CG 3.28Å; I101-L105 WeakPolarHBondContact O-CG 3.49Å; I101-L105 PolarHBondContact O-N 3.4Å; E102-L105 PolarHBondContact O-N 3.37Å; L105-Y109 WeakPolarHBondContact O-CB 3.36Å; L105-Y109 PolarHBondContact O-N 3.42Å; L105-L181 HydrophobicContact CD1-CD2 4.17Å; L105-L184 HydrophobicContact CB-CD1 3.93Å; L105-L184 HydrophobicContact CD2-CD1 3.88Å; L105-L184 HydrophobicContact CG-CD1 4.49Å; L105-L184 WeakPolarHBondContact O-CD1 3.48Å |
| 106 | L | 96.8 | Very high | 88.9 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 9% | 0.089 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 178.4 | -174.6 | 63.5 | 0 | 0 | 0 | 112.5 | E102 L104 Y109 N110 R169 L172 | E102-L106 WeakPolarHBondContact O-CB 3.37Å; E102-L106 PolarHBondContact O-N 2.89Å; L104-L106 VanDerWaalsContact C-N 3.33Å; L104-L106 PolarHBondContact O-N 2.84Å; L106-Y109 HydrophobicContact CD1-CD1 4.5Å; L106-Y109 WeakPolarHBondContact O-CB 3.23Å; L106-Y109 PolarHBondContact O-N 3.39Å; L106-N110 WeakPolarHBondContact O-CB 3.44Å; L106-N110 PolarHBondContact O-N 2.85Å; L106-N110 PolarHBondContact O-ND2 2.68Å; L106-R169 HydrophobicContact CD1-CB 3.78Å; L106-R169 WeakPolarHBondContact CD1-O 3.47Å; L106-L172 HydrophobicContact CD1-CD2 3.81Å; L106-L172 HydrophobicContact CD1-CG 4.34Å |
| 107 | G | 96.4 | Very high | 90.3 | Very high | 15 Ų | 15 | 41.3 Ų | 41.3 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A103 L104 Y109 N110 L111 | A103-G107 PolarHBondContact O-N 3.15Å; L104-G107 PolarHBondContact O-N 3.28Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 3.03Å; G107-N110 PolarHBondContact O-N 3.4Å; G107-L111 WeakPolarHBondContact O-CG 3.27Å; G107-L111 PolarHBondContact O-N 2.84Å |
| 108 | V | 97.2 | Very high | 91.6 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 111.1 | Y64 L104 L111 E112 L184 | Y64-V108 HydrophobicContact CD1-CG1 4.15Å; Y64-V108 HydrophobicContact CD1-CG2 4.25Å; Y64-V108 HydrophobicContact CD2-CG1 4.11Å; Y64-V108 HydrophobicContact CD2-CG2 4.02Å; Y64-V108 HydrophobicContact CE1-CG1 3.81Å; Y64-V108 HydrophobicContact CE2-CG1 3.76Å; Y64-V108 HydrophobicContact CE2-CG2 4.49Å; Y64-V108 HydrophobicContact CG-CG1 4.29Å; Y64-V108 HydrophobicContact CG-CG2 3.88Å; L104-V108 HydrophobicContact CD1-CG2 3.88Å; L104-V108 WeakPolarHBondContact O-CB 3.4Å; L104-V108 VanDerWaalsContact O-CG2 3.29Å; L104-V108 WeakPolarHBondContact O-CG2 3.28Å; L104-V108 PolarHBondContact O-N 3.25Å; V108-L111 PolarHBondContact O-N 3.11Å; V108-E112 WeakPolarHBondContact O-CB 3.28Å; V108-E112 PolarHBondContact O-N 2.84Å; V108-L184 HydrophobicContact CB-CD2 4.15Å; V108-L184 HydrophobicContact CG1-CD2 3.66Å |
| 109 | Y | 97.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 175 | 166.5 | -93.2 | 0 | 0 | 0 | 111.7 | L105 L106 G107 L111 E112 I113 P167 R169 V180 F183 | L105-Y109 WeakPolarHBondContact O-CB 3.36Å; L105-Y109 PolarHBondContact O-N 3.42Å; L106-Y109 HydrophobicContact CD1-CD1 4.5Å; L106-Y109 WeakPolarHBondContact O-CB 3.23Å; L106-Y109 PolarHBondContact O-N 3.39Å; G107-Y109 VanDerWaalsContact C-N 3.32Å; G107-Y109 PolarHBondContact O-N 3.03Å; Y109-L111 VanDerWaalsContact C-N 3.27Å; Y109-L111 PolarHBondContact O-N 3.43Å; Y109-E112 PolarHBondContact O-N 2.9Å; Y109-E112 VanDerWaalsContact O-N 3.14Å; Y109-I113 HydrophobicContact CD1-CD1 4.37Å; Y109-I113 HydrophobicContact CD1-CG2 4.49Å; Y109-I113 HydrophobicContact CD2-CG2 3.97Å; Y109-I113 HydrophobicContact CE1-CD1 3.83Å; Y109-I113 HydrophobicContact CE1-CG2 4.15Å; Y109-I113 HydrophobicContact CE2-CG2 3.58Å; Y109-I113 HydrophobicContact CG-CG2 4.4Å; Y109-I113 WeakPolarHBondContact O-CG1 3.29Å; Y109-I113 WeakPolarHBondContact O-CG2 3.08Å; Y109-I113 PolarHBondContact O-N 3.13Å; Y109-P167 PolarHBondContact OH-O 3.5Å; Y109-P167 VanDerWaalsContact OH-O 3.06Å; Y109-R169 HydrophobicContact CE1-CB 4.37Å; Y109-R169 HydrophobicContact CE1-CG 3.89Å; Y109-V180 HydrophobicContact CD1-CG1 4.33Å; Y109-V180 HydrophobicContact CD1-CG2 4.02Å; Y109-V180 HydrophobicContact CD2-CB 4Å; Y109-V180 HydrophobicContact CD2-CG1 3.71Å; Y109-V180 HydrophobicContact CD2-CG2 3.93Å; Y109-V180 HydrophobicContact CE1-CG2 3.95Å; Y109-V180 HydrophobicContact CE2-CB 4.25Å; Y109-V180 HydrophobicContact CE2-CG1 4.45Å; Y109-V180 HydrophobicContact CE2-CG2 3.86Å; Y109-V180 HydrophobicContact CG-CB 4.27Å; Y109-V180 HydrophobicContact CG-CG1 3.65Å; Y109-V180 HydrophobicContact CG-CG2 4.03Å; Y109-F183 HydrophobicContact CD2-CB 4.19Å; Y109-F183 AromaticContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CG 4.34Å; Y109-F183 HydrophobicContact CE2-CB 4.09Å; Y109-F183 AromaticContact CE2-CD1 3.91Å; Y109-F183 HydrophobicContact CE2-CD1 3.91Å; Y109-F183 HydrophobicContact CE2-CG 4.27Å |
| 110 | N | 96.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 49 Ų | 49 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -30.1 | -179.3 | -73.2 | -25.2 | 0 | 0 | 0 | 112.5 | L106 G107 I113 Q168 R169 | L106-N110 WeakPolarHBondContact O-CB 3.44Å; L106-N110 PolarHBondContact O-N 2.85Å; L106-N110 PolarHBondContact O-ND2 2.68Å; G107-N110 PolarHBondContact O-N 3.4Å; N110-I113 WeakPolarHBondContact O-CG1 3.21Å; N110-Q168 HydrophobicContact CB-CG 4.41Å; N110-Q168 WeakPolarHBondContact OD1-CG 3.25Å; N110-R169 PolarHBondContact ND2-O 3.5Å; N110-R169 PolarHBondContact OD1-N 3.12Å; N110-R169 VanDerWaalsContact OD1-N 3.07Å; N110-R169 PolarHBondContact OD1-O 3.49Å |
| 111 | L | 95.6 | Very high | 93.3 | Very high | 72 Ų | 72 | 49.4 Ų | 49.4 | 38% | 0.377 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 170.6 | -70.8 | 172.8 | 0 | 0 | 0 | 112.1 | F61 Y64 R65 G107 V108 Y109 | F61-L111 HydrophobicContact CE2-CD1 3.73Å; F61-L111 HydrophobicContact CE2-CG 4.49Å; F61-L111 HydrophobicContact CZ-CD1 4.2Å; Y64-L111 HydrophobicContact CD1-CD1 4.15Å; R65-L111 HydrophobicContact CB-CD1 4.3Å; G107-L111 WeakPolarHBondContact O-CG 3.27Å; G107-L111 PolarHBondContact O-N 2.84Å; V108-L111 PolarHBondContact O-N 3.11Å; Y109-L111 VanDerWaalsContact C-N 3.27Å; Y109-L111 PolarHBondContact O-N 3.43Å |
| 112 | E | 95.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 52.4 Ų | 52.4 | 17% | 0.173 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -76.5 | -23.7 | -174.5 | -91 | -69.8 | 142.8 | 0 | 0 | 115 | Y64 V108 Y109 V114 K121 F183 C187 | Y64-E112 HydrophobicContact CE1-CG 3.91Å; Y64-E112 VanDerWaalsContact OH-CG 3.26Å; Y64-E112 WeakPolarHBondContact OH-CG 3.49Å; Y64-E112 PolarHBondContact OH-OE1 3.15Å; V108-E112 WeakPolarHBondContact O-CB 3.28Å; V108-E112 PolarHBondContact O-N 2.84Å; Y109-E112 PolarHBondContact O-N 2.9Å; Y109-E112 VanDerWaalsContact O-N 3.14Å; E112-V114 PolarHBondContact O-N 2.91Å; E112-K121 WeakPolarHBondContact O-CD 3.26Å; E112-K121 PolarHBondContact O-NZ 2.63Å; E112-K121 IonicContact OE1-NZ 3.93Å; E112-K121 IonicContact OE2-NZ 3.57Å; E112-K121 PolarHBondContact OE2-NZ 3.06Å; E112-F183 HydrophobicContact CB-CE1 3.67Å; E112-F183 HydrophobicContact CB-CZ 4.35Å; E112-C187 HydrophobicContact CG-CB 4.46Å; E112-C187 PolarHBondContact OE2-SG 3.49Å |
| 113 | I | 95.1 | Very high | 93.4 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.4 | 176.4 | 62.5 | 177.1 | 0 | 0 | 0 | 113.6 | Y109 N110 K121 H166 Q168 F183 | Y109-I113 HydrophobicContact CD1-CD1 4.37Å; Y109-I113 HydrophobicContact CD1-CG2 4.49Å; Y109-I113 HydrophobicContact CD2-CG2 3.97Å; Y109-I113 HydrophobicContact CE1-CD1 3.83Å; Y109-I113 HydrophobicContact CE1-CG2 4.15Å; Y109-I113 HydrophobicContact CE2-CG2 3.58Å; Y109-I113 HydrophobicContact CG-CG2 4.4Å; Y109-I113 WeakPolarHBondContact O-CG1 3.29Å; Y109-I113 WeakPolarHBondContact O-CG2 3.08Å; Y109-I113 PolarHBondContact O-N 3.13Å; N110-I113 WeakPolarHBondContact O-CG1 3.21Å; I113-K121 VanDerWaalsContact O-CB 3.25Å; I113-K121 WeakPolarHBondContact O-CB 3.16Å; I113-K121 PolarHBondContact O-N 2.89Å; I113-H166 HydrophobicContact CB-CB 4.05Å; I113-H166 HydrophobicContact CG2-CB 3.51Å; I113-Q168 HydrophobicContact CD1-CB 4.13Å; I113-F183 HydrophobicContact CB-CE1 4.29Å; I113-F183 HydrophobicContact CG2-CD1 3.71Å; I113-F183 HydrophobicContact CG2-CE1 3.35Å; I113-F183 HydrophobicContact CG2-CZ 3.94Å |
| 114 | V | 93.1 | Very high | 93.5 | Very high | 55 Ų | 55 | 51 Ų | 51 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | B | Isolated β-bridge | trans | -106.7 | 136.9 | 179.2 | -172.6 | 0 | 0 | 0 | 0 | 109.1 | E112 H119 | E112-V114 PolarHBondContact O-N 2.91Å; V114-H119 CarbonylContact C-O 3.56Å; V114-H119 WeakPolarHBondContact CA-O 3.13Å |
| 115 | D | 86.3 | Confident | 93.4 | Very high | 75 Ų | 75 | 55.8 Ų | 55.8 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | trans | -81 | 166.3 | 174.7 | -157.9 | -5.8 | 0 | 0 | 0 | 111 | Q117 G118 H119 | D115-Q117 PolarHBondContact O-N 3.47Å; D115-Q117 PolarHBondContact OD2-OE1 2.91Å; D115-G118 PolarHBondContact O-N 3.08Å; D115-H119 PolarHBondContact N-O 2.91Å | ||
| 116 | K | 83.7 | Confident | 93.2 | Very high | 188 Ų | 188 | 58.7 Ų | 58.7 | 82% | 0.817 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -15.1 | -177.7 | -61.4 | -171.4 | 178.7 | -170.5 | 0 | 114.1 | ||
| 117 | Q | 86.6 | Confident | 92.9 | Very high | 127 Ų | 127 | 61.2 Ų | 61.2 | 59% | 0.593 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 8.9 | 176 | -55.2 | 77.6 | 22 | 0 | 0 | 113.8 | D115 | D115-Q117 PolarHBondContact O-N 3.47Å; D115-Q117 PolarHBondContact OD2-OE1 2.91Å |
| 118 | G | 87.8 | Confident | 92.5 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | S | Bend | trans | 84.4 | 4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | D115 | D115-G118 PolarHBondContact O-N 3.08Š|
| 119 | H | 90.5 | Very high | 91.9 | Very high | 130 Ų | 130 | 66.7 Ų | 66.7 | 60% | 0.602 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -88.8 | 156.3 | 178.6 | -55.3 | 115.9 | 0 | 0 | 0 | 111.9 | V114 D115 K121 | V114-H119 CarbonylContact C-O 3.56Å; V114-H119 WeakPolarHBondContact CA-O 3.13Å; D115-H119 PolarHBondContact N-O 2.91Å; H119-K121 PolarHBondContact O-N 2.86Å |
| 120 | S | 92.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 71.7 Ų | 71.7 | 42% | 0.42 | 39% | 0.391 | S | S | . | . | B | Isolated β-bridge | trans | -64.8 | 127.4 | 172.8 | -172.5 | 0 | 0 | 0 | 0 | 110.8 | P165 H166 | S120-P165 VanDerWaalsContact OG-CB 3.32Å; S120-P165 WeakPolarHBondContact OG-CB 3.25Å; S120-H166 PolarHBondContact OG-O 3.32Å |
| 121 | K | 93.4 | Very high | 90.5 | Very high | 47 Ų | 47 | 70.8 Ų | 70.8 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 122.4 | -175.1 | -168.8 | 179 | -171.7 | 168.7 | 0 | 110.5 | E112 I113 H119 L123 | E112-K121 WeakPolarHBondContact O-CD 3.26Å; E112-K121 PolarHBondContact O-NZ 2.63Å; E112-K121 IonicContact OE1-NZ 3.93Å; E112-K121 IonicContact OE2-NZ 3.57Å; E112-K121 PolarHBondContact OE2-NZ 3.06Å; I113-K121 VanDerWaalsContact O-CB 3.25Å; I113-K121 WeakPolarHBondContact O-CB 3.16Å; I113-K121 PolarHBondContact O-N 2.89Å; H119-K121 PolarHBondContact O-N 2.86Å; K121-L123 HydrophobicContact CD-CD2 4.48Å; K121-L123 HydrophobicContact CG-CD2 4.08Å |
| 122 | V | 94.9 | Very high | 89.8 | Confident | 64 Ų | 64 | 71 Ų | 71 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | trans | -117.9 | 102 | 179 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | S124 V161 P165 | V122-S124 PolarHBondContact O-N 3.29Å; V122-S124 PolarHBondContact O-OG 3.21Å; V122-V161 HydrophobicContact CG1-CB 4.43Å; V122-V161 HydrophobicContact CG1-CG1 3.65Å; V122-V161 HydrophobicContact CG1-CG2 3.86Å; V122-P165 HydrophobicContact CG2-CB 3.9Å; V122-P165 HydrophobicContact CG2-CG 4.37Å | ||
| 123 | L | 94.7 | Very high | 89.4 | Confident | 41 Ų | 41 | 73.7 Ų | 73.7 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 118.8 | -178.6 | -58.2 | -177.3 | 0 | 0 | 0 | 110.4 | K121 Y162 S163 F183 L186 | K121-L123 HydrophobicContact CD-CD2 4.48Å; K121-L123 HydrophobicContact CG-CD2 4.08Å; L123-Y162 VanDerWaalsContact C-CE1 3.47Å; L123-Y162 HydrophobicContact CB-CD1 4.28Å; L123-Y162 HydrophobicContact CB-CE1 3.69Å; L123-Y162 HydrophobicContact CB-CE2 4.01Å; L123-Y162 HydrophobicContact CD1-CE2 4.31Å; L123-Y162 VanDerWaalsContact O-CD1 3.26Å; L123-Y162 WeakPolarHBondContact O-CD1 3.48Å; L123-Y162 PolarHBondContact O-N 3.37Å; L123-S163 PolarHBondContact N-O 3.32Å; L123-S163 PolarHBondContact O-N 2.96Å; L123-F183 HydrophobicContact CD1-CE2 4.29Å; L123-L186 HydrophobicContact CD1-CD2 3.84Å |
| 124 | S | 95.1 | Very high | 89.2 | Confident | 36 Ų | 36 | 76.1 Ų | 76.1 | 25% | 0.252 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 146 | -169.5 | 47.1 | 0 | 0 | 0 | 0 | 111.6 | V122 K159 V160 | V122-S124 PolarHBondContact O-N 3.29Å; V122-S124 PolarHBondContact O-OG 3.21Å; S124-K159 VanDerWaalsContact CB-CE 3.47Å; S124-K159 WeakPolarHBondContact OG-CE 3.35Å; S124-K159 PolarHBondContact OG-NZ 3.49Å; S124-V160 CarbonylContact C-O 3.59Å; S124-V160 WeakPolarHBondContact CA-O 3.46Å; S124-V160 WeakPolarHBondContact CB-O 3.21Å |
| 125 | F | 94.9 | Very high | 89.3 | Confident | 107 Ų | 107 | 79.8 Ų | 79.8 | 47% | 0.469 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 158.9 | 177 | 71 | -89 | 0 | 0 | 0 | 110.9 | I127 K159 V160 Y162 | F125-I127 HydrophobicContact CE2-CG1 3.97Å; F125-K159 WeakPolarHBondContact O-CA 3.46Å; F125-V160 HydrophobicContact CD1-CG2 4.04Å; F125-V160 HydrophobicContact CD2-CG2 4.18Å; F125-V160 HydrophobicContact CE1-CG2 3.66Å; F125-V160 HydrophobicContact CE2-CG2 3.81Å; F125-V160 HydrophobicContact CG-CG2 4.28Å; F125-V160 HydrophobicContact CZ-CG2 3.53Å; F125-V160 PolarHBondContact N-O 2.87Å; F125-V160 PolarHBondContact O-N 2.89Å; F125-Y162 AromaticContact CD1-CD1 3.68Å; F125-Y162 HydrophobicContact CD1-CD1 3.68Å; F125-Y162 HydrophobicContact CD1-CE1 4.16Å; F125-Y162 HydrophobicContact CD1-CG 4.46Å; F125-Y162 HydrophobicContact CE1-CD1 4.19Å |
| 126 | T | 93.8 | Very high | 89.6 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126.1 | 177.1 | -58.9 | 0 | 0 | 0 | 0 | 109.4 | P128 L157 S158 | T126-P128 WeakPolarHBondContact O-CD 3.48Å; T126-L157 HydrophobicContact CG2-CB 3.66Å; T126-L157 HydrophobicContact CG2-CD2 3.77Å; T126-L157 HydrophobicContact CG2-CG 4.21Å; T126-S158 WeakPolarHBondContact CA-O 3.37Å |
| 127 | I | 90.2 | Very high | 89.8 | Confident | 70 Ų | 70 | 79.9 Ų | 79.9 | 36% | 0.359 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 121.5 | 176.4 | -61 | 177.7 | 0 | 0 | 0 | 108.6 | F125 S158 V160 | F125-I127 HydrophobicContact CE2-CG1 3.97Å; I127-S158 PolarHBondContact N-O 2.97Å; I127-V160 HydrophobicContact CD1-CG1 3.73Å; I127-V160 HydrophobicContact CD1-CG2 4.14Å; I127-V160 HydrophobicContact CG1-CG1 4.25Å; I127-V160 HydrophobicContact CG1-CG2 3.96Å |
| 128 | P | 88.6 | Confident | 89.9 | Confident | 114 Ų | 114 | 78.2 Ų | 78.2 | 74% | 0.74 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 148.6 | 175.9 | -22 | 34.3 | 0 | 0 | 0 | 111.8 | T126 | T126-P128 WeakPolarHBondContact O-CD 3.48Š|
| 129 | S | 83.5 | Confident | 89.7 | Confident | 21 Ų | 21 | 75.8 Ų | 75.8 | 15% | 0.147 | 40% | 0.404 | C | S | . | . | trans | -127.2 | 130.8 | 176.7 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | S131 K132 | S129-S131 PolarHBondContact O-N 3.32Å; S129-S131 PolarHBondContact OG-N 2.93Å; S129-K132 PolarHBondContact O-N 3.18Å | ||
| 130 | L | 83 | Confident | 89.2 | Confident | 106 Ų | 106 | 74.2 Ų | 74.2 | 56% | 0.555 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.8 | 174.2 | -67.3 | 178.3 | 0 | 0 | 0 | 112.3 | K132 H137 P139 I142 | L130-K132 PolarHBondContact O-N 3.48Å; L130-H137 PolarHBondContact O-NE2 3.48Å; L130-P139 WeakPolarHBondContact O-CG 3.5Å; L130-I142 HydrophobicContact CB-CD1 4Å; L130-I142 HydrophobicContact CD2-CD1 4.12Å; L130-I142 HydrophobicContact CG-CD1 4.46Å |
| 131 | S | 81.3 | Confident | 88.7 | Confident | 14 Ų | 14 | 76.4 Ų | 76.4 | 10% | 0.098 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 0.2 | 177.8 | -38.1 | 0 | 0 | 0 | 0 | 113.5 | S129 A146 | S129-S131 PolarHBondContact O-N 3.32Å; S129-S131 PolarHBondContact OG-N 2.93Å; S131-A146 PolarHBondContact OG-O 3.35Å |
| 132 | K | 82.3 | Confident | 87.9 | Confident | 77 Ų | 77 | 76.7 Ų | 76.7 | 34% | 0.335 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -119.8 | 143.1 | 174.6 | -74.5 | -171.5 | 170.5 | -167.6 | 0 | 111.7 | S129 L130 S134 H137 P139 L157 | S129-K132 PolarHBondContact O-N 3.18Å; L130-K132 PolarHBondContact O-N 3.48Å; K132-S134 PolarHBondContact O-N 2.96Å; K132-H137 PolarHBondContact O-CE1 3.13Å; K132-H137 PolarHBondContact O-NE2 3.37Å; K132-P139 WeakPolarHBondContact O-CG 3.39Å; K132-L157 HydrophobicContact CD-CD1 4.25Å; K132-L157 HydrophobicContact CD-CD2 4.06Å; K132-L157 HydrophobicContact CD-CG 3.7Å |
| 133 | P | 87.4 | Confident | 86.8 | Confident | 93 Ų | 93 | 76.2 Ų | 76.2 | 60% | 0.604 | 44% | 0.435 | S | S | * | . | trans | -54.5 | 136 | 172.5 | -25 | 35 | 0 | 0 | 0 | 111.4 | P139 | P133-P139 HydrophobicContact CG-CG 4.18Å; P133-P139 VanDerWaalsContact N-CG 3.32Å | ||
| 134 | S | 89.9 | Confident | 85.6 | Confident | 54 Ų | 54 | 79.1 Ų | 79.1 | 38% | 0.378 | 46% | 0.459 | S | S | . | . | trans | -129.6 | 171.2 | 175 | 85.7 | 0 | 0 | 0 | 0 | 110.3 | K132 Y136 H137 | K132-S134 PolarHBondContact O-N 2.96Å; S134-Y136 PolarHBondContact O-N 3.14Å; S134-Y136 VanDerWaalsContact O-N 3.13Å; S134-Y136 PolarHBondContact OG-N 3.36Å; S134-Y136 VanDerWaalsContact OG-N 3.08Å; S134-H137 PolarHBondContact N-O 3.3Å; S134-H137 PolarHBondContact O-N 3.02Å; S134-H137 PolarHBondContact OG-N 3.34Å; S134-H137 VanDerWaalsContact OG-N 3.15Å; S134-H137 PolarHBondContact OG-ND1 3.46Å | ||
| 135 | V | 94.8 | Very high | 84.2 | Confident | 133 Ų | 133 | 86.2 Ų | 86.2 | 81% | 0.806 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -62 | -15.8 | 173.1 | 69.5 | 0 | 0 | 0 | 0 | 113.2 | ||
| 136 | Y | 92.7 | Very high | 82.7 | Confident | 218 Ų | 218 | 82.4 Ų | 82.4 | 86% | 0.855 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -109.3 | -20.1 | -177.2 | -56.9 | -59.1 | 0 | 0 | 0 | 114.5 | S134 | S134-Y136 PolarHBondContact O-N 3.14Å; S134-Y136 VanDerWaalsContact O-N 3.13Å; S134-Y136 PolarHBondContact OG-N 3.36Å; S134-Y136 VanDerWaalsContact OG-N 3.08Å |
| 137 | H | 88.8 | Confident | 81.3 | Confident | 47 Ų | 47 | 82 Ų | 82 | 22% | 0.218 | 47% | 0.474 | C | S | . | . | trans | -153.7 | 151 | -173.7 | 86.2 | -79.3 | 0 | 0 | 0 | 113.6 | L130 K132 S134 | L130-H137 PolarHBondContact O-NE2 3.48Å; K132-H137 PolarHBondContact O-CE1 3.13Å; K132-H137 PolarHBondContact O-NE2 3.37Å; S134-H137 PolarHBondContact N-O 3.3Å; S134-H137 PolarHBondContact O-N 3.02Å; S134-H137 PolarHBondContact OG-N 3.34Å; S134-H137 VanDerWaalsContact OG-N 3.15Å; S134-H137 PolarHBondContact OG-ND1 3.46Å | ||
| 138 | E | 87.7 | Confident | 80.4 | Confident | 91 Ų | 91 | 81.9 Ų | 81.9 | 43% | 0.425 | 48% | 0.476 | S | S | . | . | trans | -107.2 | 118.3 | 171.4 | 177.7 | 48.5 | -129.6 | 0 | 0 | 109 | S140 S141 | E138-S140 PolarHBondContact O-N 3.09Å; E138-S140 VanDerWaalsContact O-N 3.09Å; E138-S140 PolarHBondContact OE1-OG 3.4Å; E138-S140 VanDerWaalsContact OE1-OG 3.09Å; E138-S141 VanDerWaalsContact O-CB 3.25Å; E138-S141 WeakPolarHBondContact O-CB 3.45Å; E138-S141 PolarHBondContact O-N 3.49Å; E138-S141 PolarHBondContact O-OG 3.26Å | ||
| 139 | P | 83.2 | Confident | 79.3 | Confident | 7 Ų | 7 | 84.3 Ų | 84.3 | 5% | 0.045 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -52.5 | -33.1 | -176.3 | -29.5 | 31.4 | 0 | 0 | 0 | 114.1 | L130 K132 P133 S141 I142 L147 | L130-P139 WeakPolarHBondContact O-CG 3.5Å; K132-P139 WeakPolarHBondContact O-CG 3.39Å; P133-P139 HydrophobicContact CG-CG 4.18Å; P133-P139 VanDerWaalsContact N-CG 3.32Å; P139-S141 PolarHBondContact O-N 3.05Å; P139-S141 VanDerWaalsContact O-N 3.1Å; P139-I142 PolarHBondContact O-N 2.82Å; P139-I142 VanDerWaalsContact O-O 3.09Å; P139-L147 HydrophobicContact CB-CD2 3.79Å |
| 140 | S | 81.6 | Confident | 78.4 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 69% | 0.685 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -58.3 | -21.4 | 176.1 | -50.7 | 0 | 0 | 0 | 0 | 113.7 | E138 | E138-S140 PolarHBondContact O-N 3.09Å; E138-S140 VanDerWaalsContact O-N 3.09Å; E138-S140 PolarHBondContact OE1-OG 3.4Å; E138-S140 VanDerWaalsContact OE1-OG 3.09Å |
| 141 | S | 80.4 | Confident | 77.4 | Confident | 105 Ų | 105 | 82.4 Ų | 82.4 | 73% | 0.734 | 47% | 0.474 | S | S | * | . | G | 310 helix | trans | -80.1 | -18.2 | 175 | -51 | 0 | 0 | 0 | 0 | 113 | E138 P139 | E138-S141 VanDerWaalsContact O-CB 3.25Å; E138-S141 WeakPolarHBondContact O-CB 3.45Å; E138-S141 PolarHBondContact O-N 3.49Å; E138-S141 PolarHBondContact O-OG 3.26Å; P139-S141 PolarHBondContact O-N 3.05Å; P139-S141 VanDerWaalsContact O-N 3.1Å |
| 142 | I | 77.2 | Confident | 76.5 | Confident | 53 Ų | 53 | 86.3 Ų | 86.3 | 27% | 0.272 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -96.2 | 121.5 | 179.3 | -47.5 | 178.1 | 0 | 0 | 0 | 107.1 | L130 P139 A146 | L130-I142 HydrophobicContact CB-CD1 4Å; L130-I142 HydrophobicContact CD2-CD1 4.12Å; L130-I142 HydrophobicContact CG-CD1 4.46Å; P139-I142 PolarHBondContact O-N 2.82Å; P139-I142 VanDerWaalsContact O-O 3.09Å; I142-A146 HydrophobicContact CB-CB 4.28Å; I142-A146 HydrophobicContact CG2-CB 3.4Å |
| 143 | G | 72.5 | Confident | 75.5 | Confident | 55 Ų | 55 | 86.8 Ų | 86.8 | 57% | 0.567 | 51% | 0.506 | S | S | * | . | trans | -55.7 | 154.1 | -176 | 0 | 0 | 0 | 0 | 0 | 113 | M145 A146 | G143-M145 PolarHBondContact O-N 2.81Å; G143-A146 PolarHBondContact O-N 3.46Å | ||
| 144 | S | 69.8 | Low | 74 | Confident | 102 Ų | 102 | 88.7 Ų | 88.7 | 71% | 0.713 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -51.8 | -16.2 | -167.9 | -45.6 | 0 | 0 | 0 | 0 | 116.5 | A146 L147 | S144-A146 PolarHBondContact O-N 2.99Å; S144-L147 CarbonylContact O-C 3.51Å; S144-L147 PolarHBondContact O-N 2.94Å; S144-L147 VanDerWaalsContact O-N 3.09Å |
| 145 | M | 64.7 | Low | 72.3 | Confident | 185 Ų | 185 | 90.9 Ų | 90.9 | 91% | 0.911 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.2 | 169.5 | -110.9 | 177.7 | 66.9 | 0 | 0 | 114.3 | G143 | G143-M145 PolarHBondContact O-N 2.81Š|
| 146 | A | 62.8 | Low | 70.7 | Confident | 27 Ų | 27 | 86.7 Ų | 86.7 | 22% | 0.223 | 50% | 0.495 | C | S | . | . | G | 310 helix | trans | -92.9 | -3.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | S131 I142 G143 S144 | S131-A146 PolarHBondContact OG-O 3.35Å; I142-A146 HydrophobicContact CB-CB 4.28Å; I142-A146 HydrophobicContact CG2-CB 3.4Å; G143-A146 PolarHBondContact O-N 3.46Å; S144-A146 PolarHBondContact O-N 2.99Å |
| 147 | L | 65 | Low | 69.6 | Low | 53 Ų | 53 | 80.7 Ų | 80.7 | 28% | 0.277 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -116.6 | 40.6 | -177.2 | -53.1 | -179.8 | 0 | 0 | 0 | 110.3 | P139 S144 | P139-L147 HydrophobicContact CB-CD2 3.79Å; S144-L147 CarbonylContact O-C 3.51Å; S144-L147 PolarHBondContact O-N 2.94Å; S144-L147 VanDerWaalsContact O-N 3.09Å |
| 148 | T | 70.6 | Confident | 69.3 | Low | 66 Ų | 66 | 81 Ų | 81 | 41% | 0.405 | 49% | 0.485 | S | S | . | . | trans | -66.3 | 149.1 | 174.8 | 64 | 0 | 0 | 0 | 0 | 110 | S150 A151 L152 | T148-S150 PolarHBondContact O-N 3.37Å; T148-A151 WeakPolarHBondContact O-CB 3.25Å; T148-A151 PolarHBondContact O-N 3.27Å; T148-A151 WeakPolarHBondContact OG1-CB 3.46Å; T148-A151 PolarHBondContact OG1-N 2.84Å; T148-A151 VanDerWaalsContact OG1-N 3.08Å; T148-L152 PolarHBondContact O-N 3.41Å | ||
| 149 | E | 65.3 | Low | 69.4 | Low | 166 Ų | 166 | 83.5 Ų | 83.5 | 78% | 0.776 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -55.6 | -36 | 175.2 | -170.7 | 177.5 | 173.8 | 0 | 0 | 111.3 | L152 S153 | E149-L152 PolarHBondContact O-N 3.43Å; E149-S153 VanDerWaalsContact O-CB 3.27Å; E149-S153 WeakPolarHBondContact O-CB 3.43Å; E149-S153 PolarHBondContact O-N 2.89Å; E149-S153 PolarHBondContact O-OG 3.2Å |
| 150 | S | 64.7 | Low | 69.9 | Low | 63 Ų | 63 | 85.4 Ų | 85.4 | 44% | 0.441 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 171 | -52.1 | 0 | 0 | 0 | 0 | 113.3 | T148 L152 S153 Q154 | T148-S150 PolarHBondContact O-N 3.37Å; S150-L152 VanDerWaalsContact C-N 3.34Å; S150-S153 WeakPolarHBondContact CA-OG 3.29Å; S150-S153 PolarHBondContact O-N 3.36Å; S150-S153 PolarHBondContact O-OG 3.3Å; S150-Q154 WeakPolarHBondContact O-CB 3.22Å; S150-Q154 VanDerWaalsContact O-CG 3.25Å; S150-Q154 WeakPolarHBondContact O-CG 3.46Å; S150-Q154 PolarHBondContact O-N 2.93Å |
| 151 | A | 62.2 | Low | 70.6 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 19% | 0.19 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | T148 H155 | T148-A151 WeakPolarHBondContact O-CB 3.25Å; T148-A151 PolarHBondContact O-N 3.27Å; T148-A151 WeakPolarHBondContact OG1-CB 3.46Å; T148-A151 PolarHBondContact OG1-N 2.84Å; T148-A151 VanDerWaalsContact OG1-N 3.08Å; A151-H155 PolarHBondContact O-N 2.94Å |
| 152 | L | 62.7 | Low | 71.3 | Confident | 97 Ų | 97 | 85.2 Ų | 85.2 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.3 | -39.7 | 175.3 | -71.9 | 165.9 | 0 | 0 | 0 | 112.7 | T148 E149 S150 | T148-L152 PolarHBondContact O-N 3.41Å; E149-L152 PolarHBondContact O-N 3.43Å; S150-L152 VanDerWaalsContact C-N 3.34Å |
| 153 | S | 61 | Low | 72.1 | Confident | 86 Ų | 86 | 83.7 Ų | 83.7 | 60% | 0.601 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -83.9 | -32.8 | -177.8 | 57.4 | 0 | 0 | 0 | 0 | 114.5 | E149 S150 | E149-S153 VanDerWaalsContact O-CB 3.27Å; E149-S153 WeakPolarHBondContact O-CB 3.43Å; E149-S153 PolarHBondContact O-N 2.89Å; E149-S153 PolarHBondContact O-OG 3.2Å; S150-S153 WeakPolarHBondContact CA-OG 3.29Å; S150-S153 PolarHBondContact O-N 3.36Å; S150-S153 PolarHBondContact O-OG 3.3Å |
| 154 | Q | 57.2 | Low | 73 | Confident | 134 Ų | 134 | 82 Ų | 82 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -94.1 | -22.4 | -175.2 | -58.6 | 177.2 | 4.2 | 0 | 0 | 113.6 | S150 | S150-Q154 WeakPolarHBondContact O-CB 3.22Å; S150-Q154 VanDerWaalsContact O-CG 3.25Å; S150-Q154 WeakPolarHBondContact O-CG 3.46Å; S150-Q154 PolarHBondContact O-N 2.93Å |
| 155 | H | 53.6 | Low | 74.2 | Confident | 100 Ų | 100 | 81.4 Ų | 81.4 | 46% | 0.463 | 45% | 0.453 | S | S | . | . | trans | -123.1 | 43.4 | -174.7 | -70.5 | -78.3 | 0 | 0 | 0 | 114.1 | A151 L157 | A151-H155 PolarHBondContact O-N 2.94Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 3.49Å | ||
| 156 | G | 61.3 | Low | 75.6 | Confident | 45 Ų | 45 | 74.4 Ų | 74.4 | 46% | 0.464 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -68.8 | 79.8 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S158 | G156-S158 PolarHBondContact O-N 3Š|
| 157 | L | 68.7 | Low | 77.1 | Confident | 91 Ų | 91 | 76.6 Ų | 76.6 | 48% | 0.476 | 43% | 0.43 | S | S | . | . | trans | 44.6 | 59.9 | 175.3 | -67.2 | 178 | 0 | 0 | 0 | 113.8 | T126 K132 H155 K159 | T126-L157 HydrophobicContact CG2-CB 3.66Å; T126-L157 HydrophobicContact CG2-CD2 3.77Å; T126-L157 HydrophobicContact CG2-CG 4.21Å; K132-L157 HydrophobicContact CD-CD1 4.25Å; K132-L157 HydrophobicContact CD-CD2 4.06Å; K132-L157 HydrophobicContact CD-CG 3.7Å; H155-L157 VanDerWaalsContact C-N 3.31Å; H155-L157 PolarHBondContact O-N 3.49Å; L157-K159 PolarHBondContact O-N 2.91Å | ||
| 158 | S | 83.5 | Confident | 78.5 | Confident | 55 Ų | 55 | 79.9 Ų | 79.9 | 39% | 0.385 | 44% | 0.444 | S | S | . | . | trans | -62.5 | 124.8 | 176.4 | -175.7 | 0 | 0 | 0 | 0 | 110.8 | T126 I127 G156 | T126-S158 WeakPolarHBondContact CA-O 3.37Å; I127-S158 PolarHBondContact N-O 2.97Å; G156-S158 PolarHBondContact O-N 3Å | ||
| 159 | K | 90.4 | Very high | 79.7 | Confident | 143 Ų | 143 | 79.5 Ų | 79.5 | 62% | 0.622 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.1 | 174.1 | -175.5 | 176.2 | 176.6 | -178.5 | 0 | 108.7 | S124 F125 L157 | S124-K159 VanDerWaalsContact CB-CE 3.47Å; S124-K159 WeakPolarHBondContact OG-CE 3.35Å; S124-K159 PolarHBondContact OG-NZ 3.49Å; F125-K159 WeakPolarHBondContact O-CA 3.46Å; L157-K159 PolarHBondContact O-N 2.91Å |
| 160 | V | 93.6 | Very high | 81.1 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 28% | 0.279 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 141.1 | 179.7 | -65.4 | 0 | 0 | 0 | 0 | 110.7 | S124 F125 I127 | S124-V160 CarbonylContact C-O 3.59Å; S124-V160 WeakPolarHBondContact CA-O 3.46Å; S124-V160 WeakPolarHBondContact CB-O 3.21Å; F125-V160 HydrophobicContact CD1-CG2 4.04Å; F125-V160 HydrophobicContact CD2-CG2 4.18Å; F125-V160 HydrophobicContact CE1-CG2 3.66Å; F125-V160 HydrophobicContact CE2-CG2 3.81Å; F125-V160 HydrophobicContact CG-CG2 4.28Å; F125-V160 HydrophobicContact CZ-CG2 3.53Å; F125-V160 PolarHBondContact N-O 2.87Å; F125-V160 PolarHBondContact O-N 2.89Å; I127-V160 HydrophobicContact CD1-CG1 3.73Å; I127-V160 HydrophobicContact CD1-CG2 4.14Å; I127-V160 HydrophobicContact CG1-CG1 4.25Å; I127-V160 HydrophobicContact CG1-CG2 3.96Å |
| 161 | V | 96.1 | Very high | 82.5 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 46% | 0.461 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 131.6 | 173.9 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | V122 G164 | V122-V161 HydrophobicContact CG1-CB 4.43Å; V122-V161 HydrophobicContact CG1-CG1 3.65Å; V122-V161 HydrophobicContact CG1-CG2 3.86Å; V161-G164 VanDerWaalsContact CG1-O 3.26Å; V161-G164 WeakPolarHBondContact CG1-O 3.39Å |
| 162 | Y | 93.9 | Very high | 84 | Confident | 124 Ų | 124 | 80.9 Ų | 80.9 | 49% | 0.486 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | -12.2 | 178 | 72.1 | -87.9 | 0 | 0 | 0 | 113.1 | L123 F125 L186 | L123-Y162 VanDerWaalsContact C-CE1 3.47Å; L123-Y162 HydrophobicContact CB-CD1 4.28Å; L123-Y162 HydrophobicContact CB-CE1 3.69Å; L123-Y162 HydrophobicContact CB-CE2 4.01Å; L123-Y162 HydrophobicContact CD1-CE2 4.31Å; L123-Y162 VanDerWaalsContact O-CD1 3.26Å; L123-Y162 WeakPolarHBondContact O-CD1 3.48Å; L123-Y162 PolarHBondContact O-N 3.37Å; F125-Y162 AromaticContact CD1-CD1 3.68Å; F125-Y162 HydrophobicContact CD1-CD1 3.68Å; F125-Y162 HydrophobicContact CD1-CE1 4.16Å; F125-Y162 HydrophobicContact CD1-CG 4.46Å; F125-Y162 HydrophobicContact CE1-CD1 4.19Å; Y162-L186 HydrophobicContact CE2-CD1 4.37Å; Y162-L186 HydrophobicContact CE2-CD2 4.26Å |
| 163 | S | 95.8 | Very high | 85.4 | Confident | 20 Ų | 20 | 78.5 Ų | 78.5 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 137.6 | 170.1 | -147.5 | 0 | 0 | 0 | 0 | 111.3 | L123 H166 | L123-S163 PolarHBondContact N-O 3.32Å; L123-S163 PolarHBondContact O-N 2.96Å; S163-H166 PolarHBondContact OG-NE2 2.95Å |
| 164 | G | 91.3 | Very high | 86.7 | Confident | 19 Ų | 19 | 78.2 Ų | 78.2 | 20% | 0.196 | 43% | 0.425 | C | S | . | . | trans | 83.2 | 175.7 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | V161 H166 | V161-G164 VanDerWaalsContact CG1-O 3.26Å; V161-G164 WeakPolarHBondContact CG1-O 3.39Å; G164-H166 PolarHBondContact N-NE2 3.48Å; G164-H166 VanDerWaalsContact N-NE2 3.2Å | ||
| 165 | P | 93.6 | Very high | 88.3 | Confident | 90 Ų | 90 | 80.2 Ų | 80.2 | 58% | 0.584 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | cis | -65.2 | 137.6 | -1 | 27.8 | -34.5 | 0 | 0 | 0 | 111.9 | S120 V122 | S120-P165 VanDerWaalsContact OG-CB 3.32Å; S120-P165 WeakPolarHBondContact OG-CB 3.25Å; V122-P165 HydrophobicContact CG2-CB 3.9Å; V122-P165 HydrophobicContact CG2-CG 4.37Å |
| 166 | H | 94.8 | Very high | 90.3 | Very high | 38 Ų | 38 | 75.8 Ų | 75.8 | 18% | 0.176 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -103.1 | 132.3 | -179.7 | -70.5 | -66.8 | 0 | 0 | 0 | 110 | I113 S120 S163 G164 F183 | I113-H166 HydrophobicContact CB-CB 4.05Å; I113-H166 HydrophobicContact CG2-CB 3.51Å; S120-H166 PolarHBondContact OG-O 3.32Å; S163-H166 PolarHBondContact OG-NE2 2.95Å; G164-H166 PolarHBondContact N-NE2 3.48Å; G164-H166 VanDerWaalsContact N-NE2 3.2Å; H166-F183 AromaticContact CD2-CD2 3.48Å; H166-F183 VanDerWaalsContact CD2-CD2 3.48Å; H166-F183 WeakPolarHBondContact CD2-CD2 3.37Å; H166-F183 AromaticContact CD2-CE2 3.57Å; H166-F183 AromaticContact NE2-CD2 3.33Å; H166-F183 VanDerWaalsContact NE2-CD2 3.33Å; H166-F183 WeakPolarHBondContact NE2-CD2 3.4Å; H166-F183 AromaticContact NE2-CE2 3.78Å |
| 167 | P | 94.4 | Very high | 91.9 | Very high | 73 Ų | 73 | 75.3 Ų | 75.3 | 47% | 0.474 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -83.7 | 137.9 | 178.3 | 31 | -31.9 | 0 | 0 | 0 | 112.1 | Y109 R169 | Y109-P167 PolarHBondContact OH-O 3.5Å; Y109-P167 VanDerWaalsContact OH-O 3.06Å; P167-R169 PolarHBondContact O-NE 3.3Å |
| 168 | Q | 94.9 | Very high | 93.2 | Very high | 122 Ų | 122 | 72 Ų | 72 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 144.7 | 171.8 | -175.6 | 178.8 | -35.7 | 0 | 0 | 111.6 | N110 I113 E170 | N110-Q168 HydrophobicContact CB-CG 4.41Å; N110-Q168 WeakPolarHBondContact OD1-CG 3.25Å; I113-Q168 HydrophobicContact CD1-CB 4.13Å; Q168-E170 PolarHBondContact NE2-OE1 3.47Å |
| 169 | R | 95.5 | Very high | 93.8 | Very high | 59 Ų | 59 | 74 Ų | 74 | 22% | 0.223 | 38% | 0.383 | C | S | . | . | trans | -129.2 | 134.9 | -179.9 | -55.8 | -60.5 | 172.9 | 113.6 | 25 | 110.9 | L106 Y109 N110 P167 N176 E179 V180 | L106-R169 HydrophobicContact CD1-CB 3.78Å; L106-R169 WeakPolarHBondContact CD1-O 3.47Å; Y109-R169 HydrophobicContact CE1-CB 4.37Å; Y109-R169 HydrophobicContact CE1-CG 3.89Å; N110-R169 PolarHBondContact ND2-O 3.5Å; N110-R169 PolarHBondContact OD1-N 3.12Å; N110-R169 VanDerWaalsContact OD1-N 3.07Å; N110-R169 PolarHBondContact OD1-O 3.49Å; P167-R169 PolarHBondContact O-NE 3.3Å; R169-N176 VanDerWaalsContact NH1-CB 3.26Å; R169-E179 IonicContact CZ-OE2 2.78Å; R169-E179 IonicContact NH1-OE2 2.76Å; R169-E179 IonicContact NH2-OE2 2.83Å; R169-E179 PolarHBondContact NH2-OE2 3Å; R169-V180 HydrophobicContact CG-CG2 4.44Å | ||
| 170 | E | 94.4 | Very high | 94.2 | Very high | 150 Ų | 150 | 67.2 Ų | 67.2 | 70% | 0.701 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -90.3 | -14.5 | 178.1 | -54.7 | -52.1 | 121.2 | 0 | 0 | 113.5 | Q168 | Q168-E170 PolarHBondContact NE2-OE1 3.47Š|
| 171 | M | 93.9 | Very high | 94.4 | Very high | 119 Ų | 119 | 65 Ų | 65 | 59% | 0.586 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -156.2 | 150.4 | 178.7 | -166.7 | 177.2 | 72.3 | 0 | 0 | 110.9 | T173 N176 | M171-T173 HydrophobicContact CE-CG2 4.09Å; M171-N176 PolarHBondContact O-ND2 2.84Å |
| 172 | L | 93.1 | Very high | 94.5 | Very high | 11 Ų | 11 | 62.6 Ų | 62.6 | 6% | 0.058 | 33% | 0.326 | C | S | . | . | trans | -81.4 | 131 | 168.2 | -62.5 | -174.4 | 0 | 0 | 0 | 110.6 | Y86 E102 L106 N176 V180 | Y86-L172 HydrophobicContact CE1-CD1 4.28Å; Y86-L172 HydrophobicContact CE2-CD1 3.94Å; E102-L172 HydrophobicContact CG-CB 4.13Å; E102-L172 HydrophobicContact CG-CD1 3.91Å; E102-L172 HydrophobicContact CG-CG 3.98Å; E102-L172 WeakPolarHBondContact OE1-CB 3.36Å; E102-L172 PolarHBondContact OE1-N 3.34Å; L106-L172 HydrophobicContact CD1-CD2 3.81Å; L106-L172 HydrophobicContact CD1-CG 4.34Å; L172-N176 WeakPolarHBondContact CA-OD1 3.37Å; L172-V180 HydrophobicContact CD2-CB 3.9Å; L172-V180 HydrophobicContact CD2-CG1 3.89Å; L172-V180 HydrophobicContact CD2-CG2 3.74Å | ||
| 173 | T | 92.3 | Very high | 94.7 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | trans | -120.2 | 162.5 | 176.5 | 73.4 | 0 | 0 | 0 | 0 | 109.5 | M171 Q175 N176 R177 | M171-T173 HydrophobicContact CE-CG2 4.09Å; T173-Q175 PolarHBondContact O-N 3.48Å; T173-Q175 PolarHBondContact OG1-N 2.81Å; T173-N176 PolarHBondContact N-OD1 2.81Å; T173-N176 PolarHBondContact O-N 3.15Å; T173-N176 PolarHBondContact O-OD1 3.19Å; T173-N176 PolarHBondContact OG1-N 3.38Å; T173-N176 PolarHBondContact OG1-OD1 3.19Å; T173-R177 VanDerWaalsContact O-CB 3.27Å; T173-R177 WeakPolarHBondContact O-CB 3.5Å; T173-R177 WeakPolarHBondContact O-CG 3.25Å; T173-R177 PolarHBondContact O-N 2.99Å | ||
| 174 | A | 89.2 | Confident | 94.8 | Very high | 80 Ų | 80 | 56 Ų | 56 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R177 | A174-R177 PolarHBondContact O-NE 3.41Š|
| 175 | Q | 91.2 | Very high | 95.1 | Very high | 176 Ų | 176 | 55.3 Ų | 55.3 | 82% | 0.822 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -55.4 | 177.5 | -64.6 | 174.1 | -10.7 | 0 | 0 | 111.7 | T173 | T173-Q175 PolarHBondContact O-N 3.48Å; T173-Q175 PolarHBondContact OG1-N 2.81Å |
| 176 | N | 94.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 52 Ų | 52 | 4% | 0.037 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -19.7 | -171.4 | 74.8 | 8.6 | 0 | 0 | 0 | 114.1 | R169 M171 L172 T173 F178 E179 V180 | R169-N176 VanDerWaalsContact NH1-CB 3.26Å; M171-N176 PolarHBondContact O-ND2 2.84Å; L172-N176 WeakPolarHBondContact CA-OD1 3.37Å; T173-N176 PolarHBondContact N-OD1 2.81Å; T173-N176 PolarHBondContact O-N 3.15Å; T173-N176 PolarHBondContact O-OD1 3.19Å; T173-N176 PolarHBondContact OG1-N 3.38Å; T173-N176 PolarHBondContact OG1-OD1 3.19Å; N176-F178 VanDerWaalsContact C-N 3.27Å; N176-F178 PolarHBondContact O-N 3.47Å; N176-F178 VanDerWaalsContact O-N 3.14Å; N176-E179 WeakPolarHBondContact O-CA 3.45Å; N176-E179 VanDerWaalsContact O-CB 3.32Å; N176-E179 WeakPolarHBondContact O-CB 3.28Å; N176-E179 PolarHBondContact O-N 3.44Å; N176-V180 PolarHBondContact O-N 2.95Å |
| 177 | R | 94.4 | Very high | 95.4 | Very high | 35 Ų | 35 | 50.9 Ų | 50.9 | 13% | 0.132 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.4 | -38.6 | -170.1 | 62.8 | -176.5 | 176.5 | 164.6 | 0.8 | 113.3 | Y86 S90 T173 A174 V180 L181 | Y86-R177 HydrophobicContact CE1-CB 4.42Å; S90-R177 PolarHBondContact OG-NH1 3.2Å; S90-R177 VanDerWaalsContact OG-NH1 3.1Å; T173-R177 VanDerWaalsContact O-CB 3.27Å; T173-R177 WeakPolarHBondContact O-CB 3.5Å; T173-R177 WeakPolarHBondContact O-CG 3.25Å; T173-R177 PolarHBondContact O-N 2.99Å; A174-R177 PolarHBondContact O-NE 3.41Å; R177-V180 PolarHBondContact O-N 3.47Å; R177-L181 WeakPolarHBondContact O-CB 3.48Å; R177-L181 WeakPolarHBondContact O-CD1 3.33Å; R177-L181 WeakPolarHBondContact O-CG 3.4Å; R177-L181 PolarHBondContact O-N 3.44Å |
| 178 | F | 96.4 | Very high | 95.6 | Very high | 21 Ų | 21 | 47.4 Ų | 47.4 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -78.3 | -22 | 178.4 | -84 | -75.5 | 0 | 0 | 0 | 113.7 | L87 N176 L181 T182 I230 P231 V232 F236 | L87-F178 HydrophobicContact CD1-CE1 4.48Å; L87-F178 HydrophobicContact CD1-CZ 4.32Å; L87-F178 HydrophobicContact CD2-CE1 4.47Å; L87-F178 HydrophobicContact CD2-CE2 4.28Å; L87-F178 HydrophobicContact CD2-CZ 3.74Å; N176-F178 VanDerWaalsContact C-N 3.27Å; N176-F178 PolarHBondContact O-N 3.47Å; N176-F178 VanDerWaalsContact O-N 3.14Å; F178-L181 HydrophobicContact CD1-CD1 4.42Å; F178-L181 HydrophobicContact CE1-CD1 4.3Å; F178-T182 WeakPolarHBondContact O-CB 3.43Å; F178-T182 PolarHBondContact O-N 2.9Å; F178-T182 PolarHBondContact O-OG1 3.38Å; F178-I230 HydrophobicContact CZ-CG2 4.41Å; F178-P231 WeakPolarHBondContact CE2-O 3.47Å; F178-P231 WeakPolarHBondContact CZ-O 3.31Å; F178-V232 HydrophobicContact CE1-CB 4.32Å; F178-V232 HydrophobicContact CE1-CG1 4.15Å; F178-V232 HydrophobicContact CE1-CG2 4.23Å; F178-V232 HydrophobicContact CZ-CB 4.44Å; F178-V232 HydrophobicContact CZ-CG2 4.11Å; F178-F236 HydrophobicContact CD1-CB 4.04Å; F178-F236 HydrophobicContact CD1-CD1 4.12Å; F178-F236 HydrophobicContact CD1-CD2 4.36Å; F178-F236 AromaticContact CD1-CG 3.93Å; F178-F236 HydrophobicContact CD1-CG 3.93Å; F178-F236 AromaticContact CE1-CD1 3.82Å; F178-F236 HydrophobicContact CE1-CD1 3.82Å; F178-F236 HydrophobicContact CE1-CE1 4.1Å; F178-F236 HydrophobicContact CE1-CG 4.12Å |
| 179 | E | 96.3 | Very high | 95.7 | Very high | 97 Ų | 97 | 42.4 Ų | 42.4 | 45% | 0.453 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.5 | -49.3 | 169.4 | -54.5 | 172 | 157.5 | 0 | 0 | 109 | R169 N176 T182 F183 | R169-E179 IonicContact CZ-OE2 2.78Å; R169-E179 IonicContact NH1-OE2 2.76Å; R169-E179 IonicContact NH2-OE2 2.83Å; R169-E179 PolarHBondContact NH2-OE2 3Å; N176-E179 WeakPolarHBondContact O-CA 3.45Å; N176-E179 VanDerWaalsContact O-CB 3.32Å; N176-E179 WeakPolarHBondContact O-CB 3.28Å; N176-E179 PolarHBondContact O-N 3.44Å; E179-T182 PolarHBondContact O-N 3.44Å; E179-F183 PolarHBondContact O-N 3.14Å |
| 180 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.1 | -54.5 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | Y109 R169 L172 N176 R177 T182 F183 L184 | Y109-V180 HydrophobicContact CD1-CG1 4.33Å; Y109-V180 HydrophobicContact CD1-CG2 4.02Å; Y109-V180 HydrophobicContact CD2-CB 4Å; Y109-V180 HydrophobicContact CD2-CG1 3.71Å; Y109-V180 HydrophobicContact CD2-CG2 3.93Å; Y109-V180 HydrophobicContact CE1-CG2 3.95Å; Y109-V180 HydrophobicContact CE2-CB 4.25Å; Y109-V180 HydrophobicContact CE2-CG1 4.45Å; Y109-V180 HydrophobicContact CE2-CG2 3.86Å; Y109-V180 HydrophobicContact CG-CB 4.27Å; Y109-V180 HydrophobicContact CG-CG1 3.65Å; Y109-V180 HydrophobicContact CG-CG2 4.03Å; R169-V180 HydrophobicContact CG-CG2 4.44Å; L172-V180 HydrophobicContact CD2-CB 3.9Å; L172-V180 HydrophobicContact CD2-CG1 3.89Å; L172-V180 HydrophobicContact CD2-CG2 3.74Å; N176-V180 PolarHBondContact O-N 2.95Å; R177-V180 PolarHBondContact O-N 3.47Å; V180-T182 VanDerWaalsContact C-N 3.29Å; V180-T182 PolarHBondContact O-N 3.43Å; V180-F183 PolarHBondContact O-N 3.15Å; V180-F183 VanDerWaalsContact O-N 3.14Å; V180-L184 HydrophobicContact CG1-CD1 3.86Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CG 3.37Å; V180-L184 PolarHBondContact O-N 3.07Å |
| 181 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.2 | -34.8 | -179.1 | -65.7 | 168.9 | 0 | 0 | 0 | 112.2 | I83 Y86 L87 L105 R177 F178 L185 F236 | I83-L181 HydrophobicContact CB-CD2 4.45Å; I83-L181 HydrophobicContact CD1-CD2 4.26Å; I83-L181 HydrophobicContact CG1-CD2 3.79Å; I83-L181 HydrophobicContact CG2-CD2 4.3Å; Y86-L181 HydrophobicContact CD1-CD1 4.14Å; Y86-L181 HydrophobicContact CD1-CD2 4.36Å; Y86-L181 HydrophobicContact CE1-CD1 4.03Å; L87-L181 HydrophobicContact CD1-CD1 4.48Å; L87-L181 HydrophobicContact CD2-CD1 3.88Å; L87-L181 HydrophobicContact CG-CD1 4.3Å; L105-L181 HydrophobicContact CD1-CD2 4.17Å; R177-L181 WeakPolarHBondContact O-CB 3.48Å; R177-L181 WeakPolarHBondContact O-CD1 3.33Å; R177-L181 WeakPolarHBondContact O-CG 3.4Å; R177-L181 PolarHBondContact O-N 3.44Å; F178-L181 HydrophobicContact CD1-CD1 4.42Å; F178-L181 HydrophobicContact CE1-CD1 4.3Å; L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 PolarHBondContact O-N 2.78Å; L181-F236 HydrophobicContact CB-CD2 4.2Å; L181-F236 HydrophobicContact CB-CE2 3.73Å; L181-F236 HydrophobicContact CB-CZ 4.37Å; L181-F236 WeakPolarHBondContact O-CE2 3.42Å |
| 182 | T | 98.3 | Very high | 96 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 16% | 0.16 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.4 | -40.3 | 175.1 | -58.2 | 0 | 0 | 0 | 0 | 111.6 | F178 E179 V180 L185 L186 F236 Q239 | F178-T182 WeakPolarHBondContact O-CB 3.43Å; F178-T182 PolarHBondContact O-N 2.9Å; F178-T182 PolarHBondContact O-OG1 3.38Å; E179-T182 PolarHBondContact O-N 3.44Å; V180-T182 VanDerWaalsContact C-N 3.29Å; V180-T182 PolarHBondContact O-N 3.43Å; T182-L185 PolarHBondContact O-N 2.85Å; T182-L186 WeakPolarHBondContact O-CB 3.28Å; T182-L186 PolarHBondContact O-N 2.58Å; T182-F236 WeakPolarHBondContact OG1-CA 3.41Å; T182-F236 WeakPolarHBondContact OG1-CB 3.42Å; T182-Q239 HydrophobicContact CG2-CG 3.64Å |
| 183 | F | 98.1 | Very high | 96.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.013 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -41.7 | 176.2 | -175.1 | -107.4 | 0 | 0 | 0 | 112.2 | Y109 E112 I113 L123 H166 E179 V180 L185 L186 C187 | Y109-F183 HydrophobicContact CD2-CB 4.19Å; Y109-F183 AromaticContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CD1 3.67Å; Y109-F183 HydrophobicContact CD2-CG 4.34Å; Y109-F183 HydrophobicContact CE2-CB 4.09Å; Y109-F183 AromaticContact CE2-CD1 3.91Å; Y109-F183 HydrophobicContact CE2-CD1 3.91Å; Y109-F183 HydrophobicContact CE2-CG 4.27Å; E112-F183 HydrophobicContact CB-CE1 3.67Å; E112-F183 HydrophobicContact CB-CZ 4.35Å; I113-F183 HydrophobicContact CB-CE1 4.29Å; I113-F183 HydrophobicContact CG2-CD1 3.71Å; I113-F183 HydrophobicContact CG2-CE1 3.35Å; I113-F183 HydrophobicContact CG2-CZ 3.94Å; L123-F183 HydrophobicContact CD1-CE2 4.29Å; H166-F183 AromaticContact CD2-CD2 3.48Å; H166-F183 VanDerWaalsContact CD2-CD2 3.48Å; H166-F183 WeakPolarHBondContact CD2-CD2 3.37Å; H166-F183 AromaticContact CD2-CE2 3.57Å; H166-F183 AromaticContact NE2-CD2 3.33Å; H166-F183 VanDerWaalsContact NE2-CD2 3.33Å; H166-F183 WeakPolarHBondContact NE2-CD2 3.4Å; H166-F183 AromaticContact NE2-CE2 3.78Å; E179-F183 PolarHBondContact O-N 3.14Å; V180-F183 PolarHBondContact O-N 3.15Å; V180-F183 VanDerWaalsContact O-N 3.14Å; F183-L185 VanDerWaalsContact C-N 3.34Å; F183-L185 PolarHBondContact O-N 3.19Å; F183-L186 HydrophobicContact CD2-CD2 4.3Å; F183-L186 WeakPolarHBondContact O-CA 3.43Å; F183-L186 WeakPolarHBondContact O-CB 3.21Å; F183-L186 PolarHBondContact O-N 3.13Å; F183-L186 VanDerWaalsContact O-N 3.12Å; F183-C187 PolarHBondContact O-N 2.93Å; F183-C187 PolarHBondContact O-SG 3.46Å |
| 184 | L | 98.1 | Very high | 96.2 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.3 | -68.7 | 173.3 | 0 | 0 | 0 | 112 | L79 L105 V108 V180 L186 C187 Y188 | L79-L184 HydrophobicContact CD1-CB 4.18Å; L79-L184 HydrophobicContact CD1-CD1 4.43Å; L79-L184 HydrophobicContact CD2-CB 4.05Å; L79-L184 VanDerWaalsContact CD2-O 3.25Å; L79-L184 WeakPolarHBondContact CD2-O 3.28Å; L105-L184 HydrophobicContact CB-CD1 3.93Å; L105-L184 HydrophobicContact CD2-CD1 3.88Å; L105-L184 HydrophobicContact CG-CD1 4.49Å; L105-L184 WeakPolarHBondContact O-CD1 3.48Å; V108-L184 HydrophobicContact CB-CD2 4.15Å; V108-L184 HydrophobicContact CG1-CD2 3.66Å; V180-L184 HydrophobicContact CG1-CD1 3.86Å; V180-L184 HydrophobicContact CG1-CG 4.33Å; V180-L184 WeakPolarHBondContact O-CG 3.37Å; V180-L184 PolarHBondContact O-N 3.07Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 3.12Å; L184-C187 WeakPolarHBondContact O-CB 3.42Å; L184-C187 PolarHBondContact O-N 2.95Å; L184-Y188 PolarHBondContact O-N 2.81Å |
| 185 | L | 98.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 38.5 Ų | 38.5 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -29.5 | 176.3 | -169.6 | 59.3 | 0 | 0 | 0 | 112.1 | L181 T182 F183 Y188 N189 L203 F236 Q239 M240 | L181-L185 WeakPolarHBondContact O-CB 3.46Å; L181-L185 PolarHBondContact O-N 2.78Å; T182-L185 PolarHBondContact O-N 2.85Å; F183-L185 VanDerWaalsContact C-N 3.34Å; F183-L185 PolarHBondContact O-N 3.19Å; L185-Y188 HydrophobicContact CD1-CD1 4.3Å; L185-Y188 PolarHBondContact O-N 3.27Å; L185-N189 WeakPolarHBondContact O-CB 3.18Å; L185-N189 PolarHBondContact O-N 3.3Å; L185-N189 PolarHBondContact O-ND2 2.92Å; L185-L203 HydrophobicContact CD1-CD1 4.01Å; L185-F236 HydrophobicContact CB-CE2 4.11Å; L185-F236 HydrophobicContact CD2-CD2 4.07Å; L185-F236 HydrophobicContact CD2-CE2 3.68Å; L185-F236 HydrophobicContact CD2-CZ 4.07Å; L185-Q239 HydrophobicContact CB-CB 4.23Å; L185-Q239 HydrophobicContact CD2-CB 3.78Å; L185-Q239 HydrophobicContact CG-CB 3.91Å; L185-M240 HydrophobicContact CD2-CG 3.97Å |
| 186 | L | 97.9 | Very high | 96.7 | Very high | 22 Ų | 22 | 32.6 Ų | 32.6 | 12% | 0.115 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | 168.9 | 175.2 | 62.5 | 0 | 0 | 0 | 111.8 | L123 Y162 T182 F183 L184 N189 A190 | L123-L186 HydrophobicContact CD1-CD2 3.84Å; Y162-L186 HydrophobicContact CE2-CD1 4.37Å; Y162-L186 HydrophobicContact CE2-CD2 4.26Å; T182-L186 WeakPolarHBondContact O-CB 3.28Å; T182-L186 PolarHBondContact O-N 2.58Å; F183-L186 HydrophobicContact CD2-CD2 4.3Å; F183-L186 WeakPolarHBondContact O-CA 3.43Å; F183-L186 WeakPolarHBondContact O-CB 3.21Å; F183-L186 PolarHBondContact O-N 3.13Å; F183-L186 VanDerWaalsContact O-N 3.12Å; L184-L186 VanDerWaalsContact C-N 3.3Å; L184-L186 PolarHBondContact O-N 3.12Å; L186-N189 WeakPolarHBondContact O-CB 3.48Å; L186-N189 PolarHBondContact O-N 3.27Å; L186-A190 PolarHBondContact O-N 3.46Å |
| 187 | C | 96.8 | Very high | 96.7 | Very high | 13 Ų | 13 | 35.3 Ų | 35.3 | 9% | 0.088 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 173.8 | -62.2 | 0 | 0 | 0 | 0 | 111.6 | E112 F183 L184 A190 | E112-C187 HydrophobicContact CG-CB 4.46Å; E112-C187 PolarHBondContact OE2-SG 3.49Å; F183-C187 PolarHBondContact O-N 2.93Å; F183-C187 PolarHBondContact O-SG 3.46Å; L184-C187 WeakPolarHBondContact O-CB 3.42Å; L184-C187 PolarHBondContact O-N 2.95Å; C187-A190 WeakPolarHBondContact O-CB 3.25Å; C187-A190 PolarHBondContact O-N 3.3Å |
| 188 | Y | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.4 | -45.6 | 170.1 | 180 | -82.2 | 0 | 0 | 0 | 112 | L76 L79 P80 L184 L185 A190 A191 L192 M195 S199 L203 | L76-Y188 HydrophobicContact CG-CD2 4.13Å; L76-Y188 WeakPolarHBondContact O-CD2 3.49Å; L79-Y188 HydrophobicContact CB-CD2 4.28Å; L79-Y188 HydrophobicContact CD2-CD2 4.43Å; L79-Y188 HydrophobicContact CD2-CG 4.42Å; P80-Y188 HydrophobicContact CG-CD2 4.3Å; P80-Y188 HydrophobicContact CG-CE2 3.77Å; L184-Y188 PolarHBondContact O-N 2.81Å; L185-Y188 HydrophobicContact CD1-CD1 4.3Å; L185-Y188 PolarHBondContact O-N 3.27Å; Y188-A190 VanDerWaalsContact C-N 3.26Å; Y188-A190 PolarHBondContact O-N 3.26Å; Y188-A191 PolarHBondContact O-N 3.12Å; Y188-L192 HydrophobicContact CD1-CD2 4.14Å; Y188-L192 HydrophobicContact CE1-CD2 3.58Å; Y188-L192 PolarHBondContact O-N 3.22Å; Y188-M195 HydrophobicContact CD2-CG 4.47Å; Y188-M195 HydrophobicContact CD2-SD 4.04Å; Y188-M195 HydrophobicContact CE1-CG 4.37Å; Y188-M195 HydrophobicContact CE2-CG 3.83Å; Y188-M195 HydrophobicContact CE2-SD 3.57Å; Y188-M195 VanDerWaalsContact CE2-SD 3.57Å; Y188-S199 WeakPolarHBondContact CE2-OG 3.33Å; Y188-S199 PolarHBondContact OH-OG 2.85Å; Y188-L203 HydrophobicContact CE1-CD1 4.33Å; Y188-L203 HydrophobicContact CE1-CD2 3.78Å |
| 189 | N | 97.8 | Very high | 96.7 | Very high | 17 Ų | 17 | 36.3 Ų | 36.3 | 9% | 0.091 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.2 | -32.7 | 177.6 | -75.4 | -25.7 | 0 | 0 | 0 | 113.1 | L185 L186 A191 L192 Q239 T242 | L185-N189 WeakPolarHBondContact O-CB 3.18Å; L185-N189 PolarHBondContact O-N 3.3Å; L185-N189 PolarHBondContact O-ND2 2.92Å; L186-N189 WeakPolarHBondContact O-CB 3.48Å; L186-N189 PolarHBondContact O-N 3.27Å; N189-A191 PolarHBondContact O-N 2.92Å; N189-L192 HydrophobicContact CB-CD1 4.22Å; N189-L192 WeakPolarHBondContact O-CD1 3.25Å; N189-L192 WeakPolarHBondContact O-CG 3.47Å; N189-Q239 PolarHBondContact ND2-O 3.36Å; N189-Q239 PolarHBondContact ND2-OE1 3.36Å; N189-T242 HydrophobicContact CB-CG2 4.12Å |
| 190 | A | 96.7 | Very high | 96.8 | Very high | 88 Ų | 88 | 31.9 Ų | 31.9 | 73% | 0.727 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -67.1 | -20.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L186 C187 Y188 | L186-A190 PolarHBondContact O-N 3.46Å; C187-A190 WeakPolarHBondContact O-CB 3.25Å; C187-A190 PolarHBondContact O-N 3.3Å; Y188-A190 VanDerWaalsContact C-N 3.26Å; Y188-A190 PolarHBondContact O-N 3.26Å |
| 191 | A | 96.1 | Very high | 96.8 | Very high | 14 Ų | 14 | 35 Ų | 35 | 12% | 0.116 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 9.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | L76 Y188 N189 T193 Y194 M195 | L76-A191 HydrophobicContact CD2-CB 3.73Å; Y188-A191 PolarHBondContact O-N 3.12Å; N189-A191 PolarHBondContact O-N 2.92Å; A191-T193 VanDerWaalsContact C-N 3.26Å; A191-T193 PolarHBondContact O-N 2.89Å; A191-T193 VanDerWaalsContact O-N 3.08Å; A191-Y194 PolarHBondContact O-N 2.98Å; A191-M195 HydrophobicContact CB-CE 3.94Å |
| 192 | L | 96.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 6% | 0.058 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -48.3 | -40.1 | -174.1 | -81.8 | 163.4 | 0 | 0 | 0 | 114.9 | Y188 N189 Y194 M195 L200 T242 F246 | Y188-L192 HydrophobicContact CD1-CD2 4.14Å; Y188-L192 HydrophobicContact CE1-CD2 3.58Å; Y188-L192 PolarHBondContact O-N 3.22Å; N189-L192 HydrophobicContact CB-CD1 4.22Å; N189-L192 WeakPolarHBondContact O-CD1 3.25Å; N189-L192 WeakPolarHBondContact O-CG 3.47Å; L192-Y194 PolarHBondContact O-N 2.73Å; L192-M195 WeakPolarHBondContact O-CB 3.45Å; L192-M195 PolarHBondContact O-N 3.09Å; L192-M195 VanDerWaalsContact O-N 3.08Å; L192-L200 HydrophobicContact CD2-CD2 3.86Å; L192-T242 HydrophobicContact CD1-CG2 4.47Å; L192-F246 HydrophobicContact CB-CD1 3.89Å; L192-F246 HydrophobicContact CB-CD2 4.07Å; L192-F246 HydrophobicContact CB-CE1 3.92Å; L192-F246 HydrophobicContact CB-CE2 4.11Å; L192-F246 HydrophobicContact CB-CG 3.97Å; L192-F246 HydrophobicContact CB-CZ 4.04Å; L192-F246 HydrophobicContact CD1-CB 3.86Å; L192-F246 HydrophobicContact CD1-CD1 4.49Å; L192-F246 HydrophobicContact CD1-CD2 4.43Å; L192-F246 HydrophobicContact CD1-CG 4.03Å; L192-F246 HydrophobicContact CD2-CB 4.35Å; L192-F246 HydrophobicContact CD2-CD1 3.86Å; L192-F246 HydrophobicContact CD2-CE1 4.46Å; L192-F246 HydrophobicContact CD2-CG 4.22Å; L192-F246 HydrophobicContact CG-CD1 4.29Å; L192-F246 HydrophobicContact CG-CG 4.29Å; L192-F246 WeakPolarHBondContact O-CE1 2.96Å |
| 193 | T | 96.8 | Very high | 96.7 | Very high | 114 Ų | 114 | 34.3 Ų | 34.3 | 70% | 0.699 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -59.6 | -25.5 | 178.4 | -48.9 | 0 | 0 | 0 | 0 | 113.6 | A191 | A191-T193 VanDerWaalsContact C-N 3.26Å; A191-T193 PolarHBondContact O-N 2.89Å; A191-T193 VanDerWaalsContact O-N 3.08Å |
| 194 | Y | 94.3 | Very high | 96.7 | Very high | 146 Ų | 146 | 34.2 Ų | 34.2 | 57% | 0.573 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -98.2 | -4.9 | 179.8 | -52.5 | -66.1 | 0 | 0 | 0 | 113.2 | A191 L192 | A191-Y194 PolarHBondContact O-N 2.98Å; L192-Y194 PolarHBondContact O-N 2.73Å |
| 195 | M | 95.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 37.3 Ų | 37.3 | 6% | 0.064 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -78.8 | 130.8 | -179.6 | -64.1 | -61.7 | 109 | 0 | 0 | 110.5 | Q73 L76 Q77 Y188 A191 L192 L200 | Q73-M195 HydrophobicContact CB-CE 4.48Å; L76-M195 HydrophobicContact CB-CE 4.3Å; L76-M195 HydrophobicContact CD2-CE 4.28Å; L76-M195 HydrophobicContact CG-CE 4.41Å; Q77-M195 HydrophobicContact CB-SD 4.25Å; Y188-M195 HydrophobicContact CD2-CG 4.47Å; Y188-M195 HydrophobicContact CD2-SD 4.04Å; Y188-M195 HydrophobicContact CE1-CG 4.37Å; Y188-M195 HydrophobicContact CE2-CG 3.83Å; Y188-M195 HydrophobicContact CE2-SD 3.57Å; Y188-M195 VanDerWaalsContact CE2-SD 3.57Å; A191-M195 HydrophobicContact CB-CE 3.94Å; L192-M195 WeakPolarHBondContact O-CB 3.45Å; L192-M195 PolarHBondContact O-N 3.09Å; L192-M195 VanDerWaalsContact O-N 3.08Å; M195-L200 HydrophobicContact CB-CD2 4.31Å |
| 196 | P | 94 | Very high | 96.6 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 34% | 0.338 | 22% | 0.216 | S | C | . | . | trans | -69.5 | 156.1 | 177 | 29.3 | -34.2 | 0 | 0 | 0 | 111.1 | Q77 V198 S199 L200 | Q77-P196 HydrophobicContact CB-CG 4.34Å; P196-V198 PolarHBondContact O-N 3.2Å; P196-V198 VanDerWaalsContact O-N 3.09Å; P196-S199 WeakPolarHBondContact O-CA 3.48Å; P196-S199 WeakPolarHBondContact O-CB 3.48Å; P196-S199 PolarHBondContact O-N 3Å; P196-L200 PolarHBondContact O-N 3.35Å | ||
| 197 | S | 94.6 | Very high | 96.6 | Very high | 64 Ų | 64 | 36.4 Ų | 36.4 | 45% | 0.448 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -52.7 | -35.6 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 113.1 | S199 L200 Q201 | S197-S199 VanDerWaalsContact C-N 3.28Å; S197-S199 PolarHBondContact O-N 2.86Å; S197-L200 PolarHBondContact O-N 3.22Å; S197-Q201 WeakPolarHBondContact O-CB 3.46Å; S197-Q201 VanDerWaalsContact O-CG 3.22Å; S197-Q201 WeakPolarHBondContact O-CG 3.47Å; S197-Q201 PolarHBondContact O-N 3.34Å |
| 198 | V | 95.3 | Very high | 96.7 | Very high | 77 Ų | 77 | 35.9 Ų | 35.9 | 47% | 0.467 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -38.6 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 112.1 | Y42 P196 Q201 S202 | Y42-V198 HydrophobicContact CD2-CG1 4.26Å; Y42-V198 HydrophobicContact CE2-CG1 3.77Å; P196-V198 PolarHBondContact O-N 3.2Å; P196-V198 VanDerWaalsContact O-N 3.09Å; V198-Q201 PolarHBondContact O-N 3.02Å; V198-S202 WeakPolarHBondContact O-CB 3.34Å; V198-S202 PolarHBondContact O-N 2.8Å |
| 199 | S | 96.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.5 | -40.3 | 177.1 | -172.2 | 0 | 0 | 0 | 0 | 111.6 | Y42 Q77 Y188 P196 S197 Q201 S202 L203 | Y42-S199 WeakPolarHBondContact OH-CA 3.45Å; Q77-S199 WeakPolarHBondContact CA-OG 3.4Å; Q77-S199 WeakPolarHBondContact O-CB 3.33Å; Q77-S199 PolarHBondContact O-OG 2.97Å; Y188-S199 WeakPolarHBondContact CE2-OG 3.33Å; Y188-S199 PolarHBondContact OH-OG 2.85Å; P196-S199 WeakPolarHBondContact O-CA 3.48Å; P196-S199 WeakPolarHBondContact O-CB 3.48Å; P196-S199 PolarHBondContact O-N 3Å; S197-S199 VanDerWaalsContact C-N 3.28Å; S197-S199 PolarHBondContact O-N 2.86Å; S199-Q201 VanDerWaalsContact C-N 3.34Å; S199-Q201 PolarHBondContact O-N 3.4Å; S199-S202 PolarHBondContact O-N 3.45Å; S199-L203 WeakPolarHBondContact O-CB 3.4Å; S199-L203 PolarHBondContact O-N 2.81Å |
| 200 | L | 97.4 | Very high | 96.6 | Very high | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -37.3 | 172.7 | -58.7 | 178.7 | 0 | 0 | 0 | 112.4 | L192 M195 P196 S197 C204 F246 N250 E252 | L192-L200 HydrophobicContact CD2-CD2 3.86Å; M195-L200 HydrophobicContact CB-CD2 4.31Å; P196-L200 PolarHBondContact O-N 3.35Å; S197-L200 PolarHBondContact O-N 3.22Å; L200-C204 PolarHBondContact O-N 2.81Å; L200-C204 PolarHBondContact O-SG 2.93Å; L200-F246 HydrophobicContact CD1-CD1 4.14Å; L200-F246 HydrophobicContact CD1-CE1 3.92Å; L200-F246 HydrophobicContact CD2-CD1 3.95Å; L200-F246 HydrophobicContact CD2-CE1 4.18Å; L200-N250 HydrophobicContact CD1-CB 4.05Å; L200-E252 HydrophobicContact CB-CG 4.27Å |
| 201 | Q | 97.3 | Very high | 96.6 | Very high | 65 Ų | 65 | 33.9 Ų | 33.9 | 30% | 0.304 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -64.9 | -47.4 | 174 | -72.4 | 172 | 12.6 | 0 | 0 | 111.4 | S197 V198 S199 C204 Q205 E252 L255 | S197-Q201 WeakPolarHBondContact O-CB 3.46Å; S197-Q201 VanDerWaalsContact O-CG 3.22Å; S197-Q201 WeakPolarHBondContact O-CG 3.47Å; S197-Q201 PolarHBondContact O-N 3.34Å; V198-Q201 PolarHBondContact O-N 3.02Å; S199-Q201 VanDerWaalsContact C-N 3.34Å; S199-Q201 PolarHBondContact O-N 3.4Å; Q201-C204 PolarHBondContact O-N 3.42Å; Q201-Q205 WeakPolarHBondContact O-CB 3.4Å; Q201-Q205 VanDerWaalsContact O-CG 3.23Å; Q201-Q205 WeakPolarHBondContact O-CG 3.42Å; Q201-Q205 PolarHBondContact O-N 2.81Å; Q201-E252 HydrophobicContact CG-CG 4.08Å; Q201-E252 WeakPolarHBondContact CG-OE1 3.45Å; Q201-E252 WeakPolarHBondContact CG-OE2 3.5Å; Q201-E252 PolarHBondContact NE2-OE1 3.39Å; Q201-E252 PolarHBondContact NE2-OE2 2.86Å; Q201-L255 HydrophobicContact CB-CD1 3.97Å; Q201-L255 HydrophobicContact CG-CD1 3.78Å |
| 202 | S | 97.3 | Very high | 96.7 | Very high | 9 Ų | 9 | 33.2 Ų | 33.2 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.4 | -50.9 | 174 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | E81 V198 S199 C204 Q205 I206 | E81-S202 PolarHBondContact OE2-OG 3.12Å; V198-S202 WeakPolarHBondContact O-CB 3.34Å; V198-S202 PolarHBondContact O-N 2.8Å; S199-S202 PolarHBondContact O-N 3.45Å; S202-C204 PolarHBondContact O-N 3.07Å; S202-Q205 PolarHBondContact O-N 2.84Å; S202-I206 VanDerWaalsContact O-CB 3.27Å; S202-I206 WeakPolarHBondContact O-CB 3.5Å; S202-I206 VanDerWaalsContact O-CG1 3.25Å; S202-I206 WeakPolarHBondContact O-CG1 3.44Å; S202-I206 PolarHBondContact O-N 2.85Å; S202-I206 VanDerWaalsContact OG-CD1 3.28Å; S202-I206 WeakPolarHBondContact OG-CD1 3.37Å |
| 203 | L | 98.3 | Very high | 96.7 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -51.5 | -54.9 | 175.2 | -179.6 | 74.4 | 0 | 0 | 0 | 112.3 | P80 L185 Y188 S199 Q205 I206 C207 | P80-L203 HydrophobicContact CB-CB 4.23Å; P80-L203 HydrophobicContact CB-CD1 4.17Å; P80-L203 HydrophobicContact CG-CB 4.03Å; P80-L203 HydrophobicContact CG-CD1 3.99Å; L185-L203 HydrophobicContact CD1-CD1 4.01Å; Y188-L203 HydrophobicContact CE1-CD1 4.33Å; Y188-L203 HydrophobicContact CE1-CD2 3.78Å; S199-L203 WeakPolarHBondContact O-CB 3.4Å; S199-L203 PolarHBondContact O-N 2.81Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 3.43Å; L203-I206 PolarHBondContact O-N 2.93Å; L203-C207 WeakPolarHBondContact O-CB 3.47Å; L203-C207 PolarHBondContact O-N 3.42Å; L203-C207 PolarHBondContact O-SG 2.88Å |
| 204 | C | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 28.3 Ų | 28.3 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | -178.2 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | L200 Q201 S202 I206 S208 I244 A247 L255 A259 | L200-C204 PolarHBondContact O-N 2.81Å; L200-C204 PolarHBondContact O-SG 2.93Å; Q201-C204 PolarHBondContact O-N 3.42Å; S202-C204 PolarHBondContact O-N 3.07Å; C204-I206 VanDerWaalsContact C-N 3.32Å; C204-I206 PolarHBondContact O-N 3.49Å; C204-S208 WeakPolarHBondContact O-CB 3.44Å; C204-S208 PolarHBondContact O-N 3.37Å; C204-S208 VanDerWaalsContact O-N 3.15Å; C204-I244 HydrophobicContact CB-CD1 4.09Å; C204-A247 WeakPolarHBondContact SG-CB 3.21Å; C204-L255 HydrophobicContact CB-CB 3.66Å; C204-A259 HydrophobicContact CB-CB 4.45Å; C204-A259 WeakPolarHBondContact O-CB 3.27Å |
| 205 | Q | 97.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 22.2 Ų | 22.2 | 31% | 0.308 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.5 | -69.8 | 177.9 | 44.4 | 0 | 0 | 111.9 | Q201 S202 L203 R209 L255 | Q201-Q205 WeakPolarHBondContact O-CB 3.4Å; Q201-Q205 VanDerWaalsContact O-CG 3.23Å; Q201-Q205 WeakPolarHBondContact O-CG 3.42Å; Q201-Q205 PolarHBondContact O-N 2.81Å; S202-Q205 PolarHBondContact O-N 2.84Å; L203-Q205 VanDerWaalsContact C-N 3.35Å; L203-Q205 PolarHBondContact O-N 3.43Å; Q205-R209 WeakPolarHBondContact O-CB 3.31Å; Q205-R209 WeakPolarHBondContact O-CG 3.42Å; Q205-R209 PolarHBondContact O-N 3.44Å; Q205-L255 HydrophobicContact CG-CD1 4.45Å; Q205-L255 HydrophobicContact CG-CD2 4.18Å |
| 206 | I | 96.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 25.6 Ų | 25.6 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -75.2 | -44.2 | -177.6 | -74.5 | 171.1 | 0 | 0 | 0 | 111.7 | P80 E81 W84 S202 L203 C204 S208 R209 I210 | P80-I206 VanDerWaalsContact C-CD1 3.41Å; P80-I206 HydrophobicContact CB-CD1 4.09Å; P80-I206 VanDerWaalsContact O-CD1 3.29Å; P80-I206 WeakPolarHBondContact O-CD1 3.43Å; E81-I206 HydrophobicContact CB-CD1 4.28Å; W84-I206 HydrophobicContact CB-CB 4.46Å; W84-I206 HydrophobicContact CB-CD1 3.76Å; W84-I206 HydrophobicContact CB-CG1 3.92Å; W84-I206 HydrophobicContact CB-CG2 3.77Å; W84-I206 HydrophobicContact CG-CD1 4.39Å; W84-I206 HydrophobicContact CG-CG1 4.2Å; S202-I206 VanDerWaalsContact O-CB 3.27Å; S202-I206 WeakPolarHBondContact O-CB 3.5Å; S202-I206 VanDerWaalsContact O-CG1 3.25Å; S202-I206 WeakPolarHBondContact O-CG1 3.44Å; S202-I206 PolarHBondContact O-N 2.85Å; S202-I206 VanDerWaalsContact OG-CD1 3.28Å; S202-I206 WeakPolarHBondContact OG-CD1 3.37Å; L203-I206 PolarHBondContact O-N 2.93Å; C204-I206 VanDerWaalsContact C-N 3.32Å; C204-I206 PolarHBondContact O-N 3.49Å; I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.35Å; I206-R209 PolarHBondContact O-N 3.03Å; I206-I210 HydrophobicContact CG2-CD1 3.51Å; I206-I210 HydrophobicContact CG2-CG1 4.15Å; I206-I210 WeakPolarHBondContact O-CB 3.31Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 3.32Å; I206-I210 PolarHBondContact O-N 2.71Å |
| 207 | C | 98 | Very high | 96.9 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.02 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -54.9 | -47.7 | 172.5 | -67.5 | 0 | 0 | 0 | 0 | 110.7 | L203 C211 M240 I244 A259 | L203-C207 WeakPolarHBondContact O-CB 3.47Å; L203-C207 PolarHBondContact O-N 3.42Å; L203-C207 PolarHBondContact O-SG 2.88Å; C207-C211 WeakPolarHBondContact O-CB 3.42Å; C207-C211 PolarHBondContact O-N 3.21Å; C207-C211 PolarHBondContact O-SG 3Å; C207-M240 HydrophobicContact CB-CB 4.42Å; C207-M240 HydrophobicContact CB-CE 4.47Å; C207-M240 HydrophobicContact CB-CG 4.3Å; C207-M240 HydrophobicContact CB-SD 3.61Å; C207-M240 WeakPolarHBondContact SG-CG 3.37Å; C207-I244 HydrophobicContact CB-CD1 4.06Å; C207-I244 HydrophobicContact CB-CG1 4.46Å; C207-A259 HydrophobicContact CB-CB 4.45Å |
| 208 | S | 98.1 | Very high | 96.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.6 | -50.6 | 174.4 | 173.1 | 0 | 0 | 0 | 0 | 112.4 | C204 I206 C211 V212 Y223 D262 | C204-S208 WeakPolarHBondContact O-CB 3.44Å; C204-S208 PolarHBondContact O-N 3.37Å; C204-S208 VanDerWaalsContact O-N 3.15Å; I206-S208 VanDerWaalsContact C-N 3.28Å; I206-S208 PolarHBondContact O-N 3.35Å; S208-C211 PolarHBondContact O-N 3.21Å; S208-V212 WeakPolarHBondContact O-CG2 3.19Å; S208-V212 PolarHBondContact O-N 3.26Å; S208-V212 VanDerWaalsContact O-N 3.17Å; S208-Y223 VanDerWaalsContact OG-CE2 3.28Å; S208-Y223 WeakPolarHBondContact OG-CE2 3.31Å; S208-Y223 PolarHBondContact OG-OH 3.03Å; S208-D262 PolarHBondContact OG-OD2 3.25Å |
| 209 | R | 96.4 | Very high | 96.9 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 24% | 0.238 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.8 | -49.6 | 178.1 | -75.7 | 172.6 | -166.4 | -167.4 | 11.6 | 112.5 | W84 Q205 I206 C211 V212 C213 Y223 | W84-R209 HydrophobicContact CE3-CB 4.33Å; W84-R209 HydrophobicContact CH2-CB 3.94Å; W84-R209 HydrophobicContact CZ2-CB 4.47Å; W84-R209 HydrophobicContact CZ3-CB 3.87Å; Q205-R209 WeakPolarHBondContact O-CB 3.31Å; Q205-R209 WeakPolarHBondContact O-CG 3.42Å; Q205-R209 PolarHBondContact O-N 3.44Å; I206-R209 PolarHBondContact O-N 3.03Å; R209-C211 VanDerWaalsContact C-N 3.34Å; R209-C211 PolarHBondContact O-N 3.49Å; R209-V212 PolarHBondContact O-N 2.94Å; R209-C213 VanDerWaalsContact O-CB 3.31Å; R209-C213 WeakPolarHBondContact O-CB 3.47Å; R209-C213 PolarHBondContact O-N 2.95Å; R209-Y223 HydrophobicContact CB-CD2 4.35Å; R209-Y223 HydrophobicContact CG-CD1 4Å; R209-Y223 HydrophobicContact CG-CD2 3.67Å; R209-Y223 HydrophobicContact CG-CE1 4.18Å; R209-Y223 HydrophobicContact CG-CE2 3.86Å; R209-Y223 HydrophobicContact CG-CG 3.76Å |
| 210 | I | 96.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.8 | -45.6 | 179.1 | -69.9 | 170.4 | 0 | 0 | 0 | 110.7 | I83 W84 L87 I206 V212 V232 F236 M240 R266 | I83-I210 HydrophobicContact CG2-CD1 4.42Å; W84-I210 HydrophobicContact CE3-CD1 4.38Å; W84-I210 HydrophobicContact CE3-CG1 3.59Å; W84-I210 HydrophobicContact CZ3-CG1 3.87Å; L87-I210 HydrophobicContact CD1-CD1 3.9Å; L87-I210 HydrophobicContact CD1-CG1 4.42Å; I206-I210 HydrophobicContact CG2-CD1 3.51Å; I206-I210 HydrophobicContact CG2-CG1 4.15Å; I206-I210 WeakPolarHBondContact O-CB 3.31Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 3.32Å; I206-I210 PolarHBondContact O-N 2.71Å; I210-V212 PolarHBondContact O-N 3.47Å; I210-V232 HydrophobicContact CG2-CG2 3.61Å; I210-F236 HydrophobicContact CD1-CE1 4.5Å; I210-M240 HydrophobicContact CB-CE 4.04Å; I210-M240 HydrophobicContact CD1-CE 3.9Å; I210-M240 HydrophobicContact CG2-CE 3.8Å; I210-R266 PolarHBondContact O-NH1 2.96Å |
| 211 | C | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -41.2 | -177.7 | -75.4 | 0 | 0 | 0 | 0 | 112.7 | C207 S208 R209 D262 I263 R266 | C207-C211 WeakPolarHBondContact O-CB 3.42Å; C207-C211 PolarHBondContact O-N 3.21Å; C207-C211 PolarHBondContact O-SG 3Å; S208-C211 PolarHBondContact O-N 3.21Å; R209-C211 VanDerWaalsContact C-N 3.34Å; R209-C211 PolarHBondContact O-N 3.49Å; C211-D262 HydrophobicContact CB-CB 4.33Å; C211-I263 VanDerWaalsContact SG-CG1 3.56Å; C211-R266 HydrophobicContact CB-CB 3.89Å; C211-R266 HydrophobicContact CB-CG 4.34Å; C211-R266 VanDerWaalsContact O-CD 3.31Å; C211-R266 WeakPolarHBondContact O-CD 3.45Å; C211-R266 PolarHBondContact O-NH1 3.22Å |
| 212 | V | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -92.6 | -8.8 | -177.6 | -51.8 | 0 | 0 | 0 | 0 | 115.1 | S208 R209 I210 G214 Y215 R217 Q218 R221 Y223 D262 Y265 | S208-V212 WeakPolarHBondContact O-CG2 3.19Å; S208-V212 PolarHBondContact O-N 3.26Å; S208-V212 VanDerWaalsContact O-N 3.17Å; R209-V212 PolarHBondContact O-N 2.94Å; I210-V212 PolarHBondContact O-N 3.47Å; V212-G214 PolarHBondContact O-N 3.04Å; V212-Y215 WeakPolarHBondContact O-CB 3.42Å; V212-Y215 PolarHBondContact O-N 3.02Å; V212-R217 HydrophobicContact CB-CB 4.27Å; V212-R217 HydrophobicContact CG1-CB 4.04Å; V212-R217 HydrophobicContact CG1-CG 4.26Å; V212-Q218 HydrophobicContact CG2-CB 4.13Å; V212-R221 HydrophobicContact CG2-CG 4.46Å; V212-Y223 HydrophobicContact CG2-CD2 3.72Å; V212-Y223 HydrophobicContact CG2-CE2 4.02Å; V212-D262 HydrophobicContact CG1-CB 3.77Å; V212-D262 VanDerWaalsContact CG1-CG 3.49Å; V212-Y265 HydrophobicContact CG1-CD1 4.42Å |
| 213 | C | 96.1 | Very high | 96.5 | Very high | 2 Ų | 2 | 42.4 Ų | 42.4 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 122.4 | -176.6 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | R209 Y215 I226 S228 R229 I230 | R209-C213 VanDerWaalsContact O-CB 3.31Å; R209-C213 WeakPolarHBondContact O-CB 3.47Å; R209-C213 PolarHBondContact O-N 2.95Å; C213-Y215 WeakPolarHBondContact O-CD2 3.32Å; C213-Y215 WeakPolarHBondContact O-CE2 3.32Å; C213-I226 PolarHBondContact SG-O 2.99Å; C213-I226 VanDerWaalsContact SG-O 3.37Å; C213-S228 PolarHBondContact SG-O 2.9Å; C213-R229 WeakPolarHBondContact O-CA 3.1Å; C213-I230 HydrophobicContact CB-CD1 4.03Å; C213-I230 HydrophobicContact CB-CG1 4.28Å |
| 214 | G | 94.6 | Very high | 96 | Very high | 19 Ų | 19 | 51.7 Ų | 51.7 | 20% | 0.196 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.6 | 12.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V212 R229 | V212-G214 PolarHBondContact O-N 3.04Å; G214-R229 VanDerWaalsContact O-CG 3.24Å; G214-R229 WeakPolarHBondContact O-CG 3.33Å; G214-R229 PolarHBondContact O-NE 3.14Å |
| 215 | Y | 96.6 | Very high | 95.4 | Very high | 18 Ų | 18 | 54.6 Ų | 54.6 | 7% | 0.071 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -117.3 | 154.8 | 174.1 | -61.3 | -95.4 | 0 | 0 | 0 | 111.1 | V212 C213 R217 Q218 R229 Y265 R266 L269 E270 | V212-Y215 WeakPolarHBondContact O-CB 3.42Å; V212-Y215 PolarHBondContact O-N 3.02Å; C213-Y215 WeakPolarHBondContact O-CD2 3.32Å; C213-Y215 WeakPolarHBondContact O-CE2 3.32Å; Y215-R217 PolarHBondContact O-N 3.41Å; Y215-Q218 VanDerWaalsContact O-CB 3.25Å; Y215-Q218 WeakPolarHBondContact O-CB 3.34Å; Y215-Q218 PolarHBondContact O-N 2.93Å; Y215-R229 HydrophobicContact CD2-CG 4.3Å; Y215-R229 HydrophobicContact CE2-CB 4.29Å; Y215-R229 HydrophobicContact CE2-CG 3.8Å; Y215-Y265 HydrophobicContact CG-CE1 4.4Å; Y215-R266 PolarHBondContact OH-NE 3.49Å; Y215-R266 PolarHBondContact OH-NH2 3.4Å; Y215-L269 HydrophobicContact CD1-CD1 3.5Å; Y215-L269 VanDerWaalsContact CD1-CD1 3.5Å; Y215-L269 HydrophobicContact CE1-CD1 3.85Å; Y215-L269 HydrophobicContact CG-CD1 4.39Å; Y215-E270 PolarHBondContact OH-OE1 3.45Å |
| 216 | P | 96.9 | Very high | 94.8 | Very high | 85 Ų | 85 | 53.9 Ų | 53.9 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -30.1 | -178.7 | -29.5 | 36 | 0 | 0 | 0 | 114.8 | Q218 H219 | P216-Q218 PolarHBondContact O-N 2.92Å; P216-H219 PolarHBondContact O-N 2.96Å; P216-H219 VanDerWaalsContact O-N 3.14Å |
| 217 | R | 96.8 | Very high | 94.4 | Very high | 66 Ų | 66 | 57.6 Ų | 57.6 | 25% | 0.249 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -20.5 | 178 | -153.6 | 175.1 | -152.4 | -162.9 | 20 | 113.8 | V212 Y215 H219 V220 R221 D261 D262 Y265 | V212-R217 HydrophobicContact CB-CB 4.27Å; V212-R217 HydrophobicContact CG1-CB 4.04Å; V212-R217 HydrophobicContact CG1-CG 4.26Å; Y215-R217 PolarHBondContact O-N 3.41Å; R217-H219 VanDerWaalsContact C-N 3.28Å; R217-H219 PolarHBondContact O-N 3.32Å; R217-V220 HydrophobicContact CG-CB 4.46Å; R217-V220 WeakPolarHBondContact O-CB 3.35Å; R217-V220 PolarHBondContact O-N 2.87Å; R217-R221 WeakPolarHBondContact O-CG 3.45Å; R217-R221 PolarHBondContact O-N 2.9Å; R217-D261 PolarHBondContact NH1-O 3.14Å; R217-D262 WeakPolarHBondContact CD-OD1 3.3Å; R217-D262 IonicContact CZ-OD1 2.68Å; R217-D262 IonicContact NE-OD1 3.56Å; R217-D262 IonicContact NH1-OD1 3.51Å; R217-D262 PolarHBondContact NH1-OD1 2.97Å; R217-Y265 HydrophobicContact CB-CD1 4.08Å; R217-Y265 HydrophobicContact CB-CE1 3.56Å; R217-Y265 HydrophobicContact CB-CE2 4.46Å; R217-Y265 HydrophobicContact CG-CE1 4.43Å |
| 218 | Q | 96.3 | Very high | 94.1 | Very high | 10 Ų | 10 | 59.9 Ų | 59.9 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -57.2 | -41.2 | 171.2 | -173.5 | 174.6 | -6.4 | 0 | 0 | 111.9 | V212 Y215 P216 R221 K222 Y223 I226 | V212-Q218 HydrophobicContact CG2-CB 4.13Å; Y215-Q218 VanDerWaalsContact O-CB 3.25Å; Y215-Q218 WeakPolarHBondContact O-CB 3.34Å; Y215-Q218 PolarHBondContact O-N 2.93Å; P216-Q218 PolarHBondContact O-N 2.92Å; Q218-R221 CarbonylContact O-C 3.51Å; Q218-R221 PolarHBondContact O-N 3.29Å; Q218-K222 PolarHBondContact O-N 3.3Å; Q218-Y223 PolarHBondContact NE2-O 2.9Å; Q218-Y223 PolarHBondContact O-N 2.85Å; Q218-I226 PolarHBondContact NE2-O 3.32Å |
| 219 | H | 94.9 | Very high | 93.9 | Very high | 138 Ų | 138 | 67.3 Ų | 67.3 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.5 | -37.8 | 178 | -56.9 | -63.8 | 0 | 0 | 0 | 111.7 | P216 R217 K222 | P216-H219 PolarHBondContact O-N 2.96Å; P216-H219 VanDerWaalsContact O-N 3.14Å; R217-H219 VanDerWaalsContact C-N 3.28Å; R217-H219 PolarHBondContact O-N 3.32Å; H219-K222 WeakPolarHBondContact O-CG 3.42Å; H219-K222 PolarHBondContact O-N 3.28Å; H219-K222 VanDerWaalsContact O-N 3.12Å |
| 220 | V | 96.2 | Very high | 93.8 | Very high | 114 Ų | 114 | 64.6 Ų | 64.6 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 174.5 | -175.5 | 0 | 0 | 0 | 0 | 111.1 | R217 K222 | R217-V220 HydrophobicContact CG-CB 4.46Å; R217-V220 WeakPolarHBondContact O-CB 3.35Å; R217-V220 PolarHBondContact O-N 2.87Å; V220-K222 VanDerWaalsContact C-N 3.27Å; V220-K222 PolarHBondContact O-N 3.31Å |
| 221 | R | 94.8 | Very high | 93.6 | Very high | 66 Ų | 66 | 68 Ų | 68 | 25% | 0.249 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74.2 | -13.1 | 173.8 | -67.6 | -64.3 | -172.2 | -153.9 | 0.2 | 114 | V212 R217 Q218 Y223 K258 D262 | V212-R221 HydrophobicContact CG2-CG 4.46Å; R217-R221 WeakPolarHBondContact O-CG 3.45Å; R217-R221 PolarHBondContact O-N 2.9Å; Q218-R221 CarbonylContact O-C 3.51Å; Q218-R221 PolarHBondContact O-N 3.29Å; R221-Y223 HydrophobicContact CB-CD1 4.4Å; R221-Y223 HydrophobicContact CB-CD2 3.53Å; R221-Y223 HydrophobicContact CB-CE1 4.32Å; R221-Y223 HydrophobicContact CB-CE2 3.43Å; R221-Y223 VanDerWaalsContact CB-CE2 3.43Å; R221-Y223 HydrophobicContact CB-CG 4.01Å; R221-Y223 HydrophobicContact CG-CD2 4.22Å; R221-Y223 HydrophobicContact CG-CE2 3.73Å; R221-Y223 PolarHBondContact O-N 3.27Å; R221-K258 PolarHBondContact NH2-O 3.47Å; R221-D262 IonicContact CZ-OD1 2.88Å; R221-D262 IonicContact CZ-OD2 2.63Å; R221-D262 IonicContact NE-OD1 3.99Å; R221-D262 PolarHBondContact NE-OD1 2.83Å; R221-D262 VanDerWaalsContact NE-OD1 3.12Å; R221-D262 IonicContact NE-OD2 3.37Å; R221-D262 PolarHBondContact NE-OD2 3.5Å; R221-D262 VanDerWaalsContact NH2-CG 3.29Å; R221-D262 IonicContact NH2-OD1 3.2Å; R221-D262 PolarHBondContact NH2-OD1 3Å; R221-D262 IonicContact NH2-OD2 3.12Å; R221-D262 PolarHBondContact NH2-OD2 2.94Å |
| 222 | K | 95.4 | Very high | 93.5 | Very high | 177 Ų | 177 | 68.3 Ų | 68.3 | 77% | 0.77 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 30 | -176.5 | -54.6 | -179.6 | -177.7 | 179.4 | 0 | 113.8 | Q218 H219 V220 K224 | Q218-K222 PolarHBondContact O-N 3.3Å; H219-K222 WeakPolarHBondContact O-CG 3.42Å; H219-K222 PolarHBondContact O-N 3.28Å; H219-K222 VanDerWaalsContact O-N 3.12Å; V220-K222 VanDerWaalsContact C-N 3.27Å; V220-K222 PolarHBondContact O-N 3.31Å; K222-K224 PolarHBondContact O-N 3.16Å |
| 223 | Y | 93.5 | Very high | 93.5 | Very high | 53 Ų | 53 | 70.2 Ų | 70.2 | 21% | 0.208 | 37% | 0.371 | C | S | . | . | trans | -73.1 | 116.9 | 177.2 | -64.6 | -39 | 0 | 0 | 0 | 111.2 | S208 R209 V212 Q218 R221 | S208-Y223 VanDerWaalsContact OG-CE2 3.28Å; S208-Y223 WeakPolarHBondContact OG-CE2 3.31Å; S208-Y223 PolarHBondContact OG-OH 3.03Å; R209-Y223 HydrophobicContact CB-CD2 4.35Å; R209-Y223 HydrophobicContact CG-CD1 4Å; R209-Y223 HydrophobicContact CG-CD2 3.67Å; R209-Y223 HydrophobicContact CG-CE1 4.18Å; R209-Y223 HydrophobicContact CG-CE2 3.86Å; R209-Y223 HydrophobicContact CG-CG 3.76Å; V212-Y223 HydrophobicContact CG2-CD2 3.72Å; V212-Y223 HydrophobicContact CG2-CE2 4.02Å; Q218-Y223 PolarHBondContact NE2-O 2.9Å; Q218-Y223 PolarHBondContact O-N 2.85Å; R221-Y223 HydrophobicContact CB-CD1 4.4Å; R221-Y223 HydrophobicContact CB-CD2 3.53Å; R221-Y223 HydrophobicContact CB-CE1 4.32Å; R221-Y223 HydrophobicContact CB-CE2 3.43Å; R221-Y223 VanDerWaalsContact CB-CE2 3.43Å; R221-Y223 HydrophobicContact CB-CG 4.01Å; R221-Y223 HydrophobicContact CG-CD2 4.22Å; R221-Y223 HydrophobicContact CG-CE2 3.73Å; R221-Y223 PolarHBondContact O-N 3.27Å | ||
| 224 | K | 88.5 | Confident | 93.6 | Very high | 197 Ų | 197 | 71.1 Ų | 71.1 | 86% | 0.857 | 38% | 0.377 | S | S | * | . | trans | -79.3 | 155.2 | 174.5 | -60.3 | -177.9 | -179.7 | -179.1 | 0 | 110.7 | K222 | K222-K224 PolarHBondContact O-N 3.16Š| ||
| 225 | G | 85.1 | Confident | 93.7 | Very high | 62 Ų | 62 | 71.6 Ų | 71.6 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | S | Bend | trans | 123.8 | -147.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 226 | I | 84.6 | Confident | 93.8 | Very high | 51 Ų | 51 | 70.8 Ų | 70.8 | 26% | 0.262 | 38% | 0.379 | S | S | . | . | trans | -68.8 | 141.7 | 178.9 | -66.1 | 129.9 | 0 | 0 | 0 | 110.6 | A88 A91 C213 Q218 | A88-I226 HydrophobicContact CB-CD1 3.77Å; A88-I226 VanDerWaalsContact O-CD1 3.27Å; A88-I226 WeakPolarHBondContact O-CD1 3.49Å; A91-I226 HydrophobicContact CB-CG2 4.26Å; C213-I226 PolarHBondContact SG-O 2.99Å; C213-I226 VanDerWaalsContact SG-O 3.37Å; Q218-I226 PolarHBondContact NE2-O 3.32Å | ||
| 227 | S | 88.3 | Confident | 93.9 | Very high | 83 Ų | 83 | 66.8 Ų | 66.8 | 58% | 0.58 | 35% | 0.353 | S | S | * | . | trans | -116.9 | 45.8 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 228 | S | 91.8 | Very high | 94 | Very high | 52 Ų | 52 | 65.3 Ų | 65.3 | 36% | 0.364 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -116.4 | 135.3 | -176.6 | -174.2 | 0 | 0 | 0 | 0 | 109.5 | C213 I230 | C213-S228 PolarHBondContact SG-O 2.9Å; S228-I230 PolarHBondContact O-N 3.27Å; S228-I230 VanDerWaalsContact O-N 3.13Å |
| 229 | R | 94.3 | Very high | 94.1 | Very high | 157 Ų | 157 | 66.5 Ų | 66.5 | 59% | 0.592 | 36% | 0.357 | S | S | * | . | trans | -68.7 | 113.2 | -177.7 | -67.7 | -177.2 | -172.3 | 171.9 | 6.5 | 110.2 | C213 G214 Y215 P231 | C213-R229 WeakPolarHBondContact O-CA 3.1Å; G214-R229 VanDerWaalsContact O-CG 3.24Å; G214-R229 WeakPolarHBondContact O-CG 3.33Å; G214-R229 PolarHBondContact O-NE 3.14Å; Y215-R229 HydrophobicContact CD2-CG 4.3Å; Y215-R229 HydrophobicContact CE2-CB 4.29Å; Y215-R229 HydrophobicContact CE2-CG 3.8Å; R229-P231 WeakPolarHBondContact O-CD 3.24Å | ||
| 230 | I | 93.5 | Very high | 94.2 | Very high | 5 Ų | 5 | 60 Ų | 60 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | trans | -78.6 | 115.3 | 171.7 | -55.3 | 170.4 | 0 | 0 | 0 | 106.7 | W84 L87 A91 F178 C213 S228 V232 R266 | W84-I230 HydrophobicContact CZ3-CD1 4.03Å; L87-I230 HydrophobicContact CB-CD1 4.28Å; L87-I230 HydrophobicContact CB-CG2 4.35Å; L87-I230 HydrophobicContact CD1-CG2 4.36Å; L87-I230 HydrophobicContact CD2-CG2 4.2Å; A91-I230 HydrophobicContact CB-CG1 4.15Å; F178-I230 HydrophobicContact CZ-CG2 4.41Å; C213-I230 HydrophobicContact CB-CD1 4.03Å; C213-I230 HydrophobicContact CB-CG1 4.28Å; S228-I230 PolarHBondContact O-N 3.27Å; S228-I230 VanDerWaalsContact O-N 3.13Å; I230-V232 HydrophobicContact CG2-CG2 4.03Å; I230-R266 PolarHBondContact O-NH1 3.36Å; I230-R266 PolarHBondContact O-NH2 2.8Å | ||
| 231 | P | 92.6 | Very high | 94.4 | Very high | 74 Ų | 74 | 54.6 Ų | 54.6 | 48% | 0.481 | 29% | 0.294 | S | S | . | . | trans | -68 | 135.1 | 170.3 | 30.6 | -33.7 | 0 | 0 | 0 | 107.9 | F178 R229 | F178-P231 WeakPolarHBondContact CE2-O 3.47Å; F178-P231 WeakPolarHBondContact CZ-O 3.31Å; R229-P231 WeakPolarHBondContact O-CD 3.24Å | ||
| 232 | V | 95.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.03 | 30% | 0.301 | C | S | . | . | trans | -136.2 | 137.5 | -173.4 | 173.9 | 0 | 0 | 0 | 0 | 108.5 | F178 I210 I230 F236 M237 Y272 | F178-V232 HydrophobicContact CE1-CB 4.32Å; F178-V232 HydrophobicContact CE1-CG1 4.15Å; F178-V232 HydrophobicContact CE1-CG2 4.23Å; F178-V232 HydrophobicContact CZ-CB 4.44Å; F178-V232 HydrophobicContact CZ-CG2 4.11Å; I210-V232 HydrophobicContact CG2-CG2 3.61Å; I230-V232 HydrophobicContact CG2-CG2 4.03Å; V232-F236 HydrophobicContact CG1-CB 4.16Å; V232-F236 HydrophobicContact CG1-CD1 3.64Å; V232-F236 HydrophobicContact CG1-CG 4.36Å; V232-M237 HydrophobicContact CB-CE 3.73Å; V232-M237 HydrophobicContact CG1-CE 3.64Å; V232-M237 HydrophobicContact CG1-CG 3.83Å; V232-Y272 VanDerWaalsContact O-CE2 3.26Å; V232-Y272 WeakPolarHBondContact O-CE2 3.46Å; V232-Y272 PolarHBondContact O-OH 3.21Å | ||
| 233 | S | 97.2 | Very high | 94.7 | Very high | 40 Ų | 40 | 46 Ų | 46 | 28% | 0.28 | 26% | 0.264 | S | S | . | . | trans | -78.4 | 154.8 | 179.2 | 68.2 | 0 | 0 | 0 | 0 | 113 | G235 F236 M237 | S233-G235 PolarHBondContact O-N 2.7Å; S233-F236 PolarHBondContact O-N 2.72Å; S233-F236 WeakPolarHBondContact OG-CB 3.22Å; S233-F236 PolarHBondContact OG-N 3.34Å; S233-M237 PolarHBondContact O-N 3.49Å | ||
| 234 | S | 98 | Very high | 94.9 | Very high | 21 Ų | 21 | 43.5 Ų | 43.5 | 15% | 0.147 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -54 | -53.7 | 174.7 | -175.7 | 0 | 0 | 0 | 0 | 111.9 | F236 M237 V238 E274 P275 | S234-F236 VanDerWaalsContact C-N 3.25Å; S234-F236 PolarHBondContact O-N 3.17Å; S234-M237 WeakPolarHBondContact O-CB 3.34Å; S234-M237 PolarHBondContact O-N 3.41Å; S234-V238 PolarHBondContact O-N 2.96Å; S234-E274 WeakPolarHBondContact CB-OE2 3.2Å; S234-E274 PolarHBondContact OG-OE2 2.96Å; S234-P275 VanDerWaalsContact OG-CD 3.3Å; S234-P275 WeakPolarHBondContact OG-CD 3.27Å; S234-P275 WeakPolarHBondContact OG-CG 3.46Å |
| 235 | G | 97.4 | Very high | 95.4 | Very high | 29 Ų | 29 | 38.7 Ų | 38.7 | 30% | 0.299 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -58.2 | -33.3 | 180 | 0 | 0 | 0 | 0 | 0 | 114 | S233 V238 Q239 | S233-G235 PolarHBondContact O-N 2.7Å; G235-V238 PolarHBondContact O-N 3.45Å; G235-Q239 PolarHBondContact O-N 2.94Å |
| 236 | F | 98.4 | Very high | 96 | Very high | 2 Ų | 2 | 38 Ų | 38 | 1% | 0.009 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.4 | -42.1 | 174.7 | -168 | -113.8 | 0 | 0 | 0 | 111.6 | I83 F178 L181 T182 L185 I210 V232 S233 S234 V238 Q239 M240 | I83-F236 HydrophobicContact CG2-CZ 3.86Å; F178-F236 HydrophobicContact CD1-CB 4.04Å; F178-F236 HydrophobicContact CD1-CD1 4.12Å; F178-F236 HydrophobicContact CD1-CD2 4.36Å; F178-F236 AromaticContact CD1-CG 3.93Å; F178-F236 HydrophobicContact CD1-CG 3.93Å; F178-F236 AromaticContact CE1-CD1 3.82Å; F178-F236 HydrophobicContact CE1-CD1 3.82Å; F178-F236 HydrophobicContact CE1-CE1 4.1Å; F178-F236 HydrophobicContact CE1-CG 4.12Å; L181-F236 HydrophobicContact CB-CD2 4.2Å; L181-F236 HydrophobicContact CB-CE2 3.73Å; L181-F236 HydrophobicContact CB-CZ 4.37Å; L181-F236 WeakPolarHBondContact O-CE2 3.42Å; T182-F236 WeakPolarHBondContact OG1-CA 3.41Å; T182-F236 WeakPolarHBondContact OG1-CB 3.42Å; L185-F236 HydrophobicContact CB-CE2 4.11Å; L185-F236 HydrophobicContact CD2-CD2 4.07Å; L185-F236 HydrophobicContact CD2-CE2 3.68Å; L185-F236 HydrophobicContact CD2-CZ 4.07Å; I210-F236 HydrophobicContact CD1-CE1 4.5Å; V232-F236 HydrophobicContact CG1-CB 4.16Å; V232-F236 HydrophobicContact CG1-CD1 3.64Å; V232-F236 HydrophobicContact CG1-CG 4.36Å; S233-F236 PolarHBondContact O-N 2.72Å; S233-F236 WeakPolarHBondContact OG-CB 3.22Å; S233-F236 PolarHBondContact OG-N 3.34Å; S234-F236 VanDerWaalsContact C-N 3.25Å; S234-F236 PolarHBondContact O-N 3.17Å; F236-V238 VanDerWaalsContact C-N 3.34Å; F236-V238 PolarHBondContact O-N 3.47Å; F236-Q239 PolarHBondContact O-N 2.91Å; F236-M240 HydrophobicContact CD1-CE 3.62Å; F236-M240 HydrophobicContact CE1-CE 3.28Å; F236-M240 HydrophobicContact CZ-CE 4.22Å; F236-M240 WeakPolarHBondContact O-CG 3.49Å; F236-M240 PolarHBondContact O-N 3Å |
| 237 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -34.1 | 174.7 | -59.9 | -173 | -162.9 | 0 | 0 | 112.3 | V232 S233 S234 M240 L241 I263 R266 Y272 P275 | V232-M237 HydrophobicContact CB-CE 3.73Å; V232-M237 HydrophobicContact CG1-CE 3.64Å; V232-M237 HydrophobicContact CG1-CG 3.83Å; S233-M237 PolarHBondContact O-N 3.49Å; S234-M237 WeakPolarHBondContact O-CB 3.34Å; S234-M237 PolarHBondContact O-N 3.41Å; M237-M240 WeakPolarHBondContact O-CB 3.17Å; M237-M240 PolarHBondContact O-N 3.37Å; M237-L241 VanDerWaalsContact O-CG 3.31Å; M237-L241 WeakPolarHBondContact O-CG 3.25Å; M237-L241 PolarHBondContact O-N 3.4Å; M237-I263 HydrophobicContact CB-CG2 4.44Å; M237-R266 HydrophobicContact CE-CG 3.64Å; M237-R266 HydrophobicContact SD-CG 4.27Å; M237-Y272 HydrophobicContact CE-CD2 3.84Å; M237-Y272 HydrophobicContact CE-CE2 3.73Å; M237-Y272 HydrophobicContact SD-CD2 4.03Å; M237-Y272 HydrophobicContact SD-CE2 4.5Å; M237-P275 HydrophobicContact CB-CB 3.74Å; M237-P275 HydrophobicContact CB-CG 3.8Å; M237-P275 HydrophobicContact SD-CB 4.47Å; M237-P275 HydrophobicContact SD-CG 4.45Å |
| 238 | V | 98.6 | Very high | 97 | Very high | 36 Ų | 36 | 32 Ų | 32 | 22% | 0.218 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 172.5 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | S234 G235 F236 L241 T242 E274 P275 | S234-V238 PolarHBondContact O-N 2.96Å; G235-V238 PolarHBondContact O-N 3.45Å; F236-V238 VanDerWaalsContact C-N 3.34Å; F236-V238 PolarHBondContact O-N 3.47Å; V238-L241 PolarHBondContact O-N 3.43Å; V238-T242 PolarHBondContact O-N 3.11Å; V238-T242 PolarHBondContact O-OG1 3.19Å; V238-E274 HydrophobicContact CG2-CB 4.02Å; V238-P275 HydrophobicContact CG2-CB 4.48Å; V238-P275 HydrophobicContact CG2-CG 4.08Å |
| 239 | Q | 98.4 | Very high | 97.2 | Very high | 34 Ų | 34 | 34 Ų | 34 | 16% | 0.159 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -35.7 | 173.9 | -66.5 | -56.9 | -30.1 | 0 | 0 | 112.6 | T182 L185 N189 G235 F236 T242 | T182-Q239 HydrophobicContact CG2-CG 3.64Å; L185-Q239 HydrophobicContact CB-CB 4.23Å; L185-Q239 HydrophobicContact CD2-CB 3.78Å; L185-Q239 HydrophobicContact CG-CB 3.91Å; N189-Q239 PolarHBondContact ND2-O 3.36Å; N189-Q239 PolarHBondContact ND2-OE1 3.36Å; G235-Q239 PolarHBondContact O-N 2.94Å; F236-Q239 PolarHBondContact O-N 2.91Å; Q239-T242 PolarHBondContact O-N 2.92Å |
| 240 | M | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 169.4 | -66.9 | -170.3 | 177.6 | 0 | 0 | 111.1 | L185 C207 I210 F236 M237 T242 G243 I244 I263 | L185-M240 HydrophobicContact CD2-CG 3.97Å; C207-M240 HydrophobicContact CB-CB 4.42Å; C207-M240 HydrophobicContact CB-CE 4.47Å; C207-M240 HydrophobicContact CB-CG 4.3Å; C207-M240 HydrophobicContact CB-SD 3.61Å; C207-M240 WeakPolarHBondContact SG-CG 3.37Å; I210-M240 HydrophobicContact CB-CE 4.04Å; I210-M240 HydrophobicContact CD1-CE 3.9Å; I210-M240 HydrophobicContact CG2-CE 3.8Å; F236-M240 HydrophobicContact CD1-CE 3.62Å; F236-M240 HydrophobicContact CE1-CE 3.28Å; F236-M240 HydrophobicContact CZ-CE 4.22Å; F236-M240 WeakPolarHBondContact O-CG 3.49Å; F236-M240 PolarHBondContact O-N 3Å; M237-M240 WeakPolarHBondContact O-CB 3.17Å; M237-M240 PolarHBondContact O-N 3.37Å; M240-T242 VanDerWaalsContact C-N 3.25Å; M240-T242 PolarHBondContact O-N 3.23Å; M240-G243 PolarHBondContact O-N 3.38Å; M240-I244 WeakPolarHBondContact O-CG1 3.49Å; M240-I244 PolarHBondContact O-N 3.33Å; M240-I263 HydrophobicContact CB-CD1 4.07Å; M240-I263 HydrophobicContact SD-CD1 4.47Å |
| 241 | L | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.6 | -33.2 | -176.7 | -73.4 | 166.2 | 0 | 0 | 0 | 113.1 | M237 V238 I244 Y245 L260 I263 P275 V278 A279 I282 | M237-L241 VanDerWaalsContact O-CG 3.31Å; M237-L241 WeakPolarHBondContact O-CG 3.25Å; M237-L241 PolarHBondContact O-N 3.4Å; V238-L241 PolarHBondContact O-N 3.43Å; L241-I244 PolarHBondContact O-N 3.25Å; L241-Y245 WeakPolarHBondContact O-CB 3.33Å; L241-Y245 PolarHBondContact O-N 2.96Å; L241-L260 HydrophobicContact CD2-CD1 3.61Å; L241-I263 HydrophobicContact CD1-CG2 4.02Å; L241-I263 HydrophobicContact CD2-CB 4.24Å; L241-I263 HydrophobicContact CD2-CD1 3.76Å; L241-I263 HydrophobicContact CD2-CG2 3.84Å; L241-I263 HydrophobicContact CG-CD1 4.14Å; L241-I263 HydrophobicContact CG-CG2 3.96Å; L241-P275 HydrophobicContact CD1-CB 4.05Å; L241-P275 VanDerWaalsContact CD1-O 3.28Å; L241-P275 WeakPolarHBondContact CD1-O 3.41Å; L241-V278 HydrophobicContact CB-CG1 4.05Å; L241-V278 HydrophobicContact CD1-CB 3.99Å; L241-V278 HydrophobicContact CD1-CG1 3.95Å; L241-A279 HydrophobicContact CD1-CB 3.95Å; L241-A279 HydrophobicContact CD2-CB 3.75Å; L241-I282 HydrophobicContact CB-CD1 4.08Å; L241-I282 HydrophobicContact CD2-CD1 4.14Å |
| 242 | T | 98.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 30.9 Ų | 30.9 | 39% | 0.393 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -59 | -49.4 | 171.9 | -57.1 | 0 | 0 | 0 | 0 | 111.8 | N189 L192 V238 Q239 M240 Y245 F246 | N189-T242 HydrophobicContact CB-CG2 4.12Å; L192-T242 HydrophobicContact CD1-CG2 4.47Å; V238-T242 PolarHBondContact O-N 3.11Å; V238-T242 PolarHBondContact O-OG1 3.19Å; Q239-T242 PolarHBondContact O-N 2.92Å; M240-T242 VanDerWaalsContact C-N 3.25Å; M240-T242 PolarHBondContact O-N 3.23Å; T242-Y245 PolarHBondContact O-N 3.37Å; T242-F246 PolarHBondContact O-N 3Å; T242-F246 VanDerWaalsContact O-N 3.09Å |
| 243 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69.9 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | M240 F246 A247 | M240-G243 PolarHBondContact O-N 3.38Å; G243-F246 PolarHBondContact O-N 3.24Å; G243-A247 WeakPolarHBondContact O-CB 3.27Å; G243-A247 PolarHBondContact O-N 3.09Å |
| 244 | I | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.8 | -41.1 | 172.6 | -61.6 | -48.4 | 0 | 0 | 0 | 111.1 | C204 C207 M240 L241 F246 A247 F248 A256 A259 L260 I263 | C204-I244 HydrophobicContact CB-CD1 4.09Å; C207-I244 HydrophobicContact CB-CD1 4.06Å; C207-I244 HydrophobicContact CB-CG1 4.46Å; M240-I244 WeakPolarHBondContact O-CG1 3.49Å; M240-I244 PolarHBondContact O-N 3.33Å; L241-I244 PolarHBondContact O-N 3.25Å; I244-F246 VanDerWaalsContact C-N 3.34Å; I244-F246 PolarHBondContact O-N 3.11Å; I244-A247 WeakPolarHBondContact O-CB 3.12Å; I244-A247 PolarHBondContact O-N 3Å; I244-F248 HydrophobicContact CG2-CD2 4.27Å; I244-F248 HydrophobicContact CG2-CE2 3.83Å; I244-F248 WeakPolarHBondContact O-CD2 3.26Å; I244-F248 PolarHBondContact O-N 2.82Å; I244-A256 HydrophobicContact CG2-CB 4.06Å; I244-A256 WeakPolarHBondContact CG2-O 3.44Å; I244-A259 HydrophobicContact CD1-CB 3.55Å; I244-A259 HydrophobicContact CG1-CB 4.02Å; I244-A259 HydrophobicContact CG2-CB 4.35Å; I244-L260 HydrophobicContact CG2-CB 4.21Å; I244-I263 HydrophobicContact CG1-CD1 3.98Å |
| 245 | Y | 98.3 | Very high | 97.1 | Very high | 95 Ų | 95 | 36.3 Ų | 36.3 | 37% | 0.373 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 175.9 | -172.8 | -113.5 | 0 | 0 | 0 | 111.6 | L241 T242 A247 F248 Y249 I282 | L241-Y245 WeakPolarHBondContact O-CB 3.33Å; L241-Y245 PolarHBondContact O-N 2.96Å; T242-Y245 PolarHBondContact O-N 3.37Å; Y245-A247 PolarHBondContact O-N 2.95Å; Y245-F248 PolarHBondContact O-N 3.18Å; Y245-Y249 HydrophobicContact CD2-CE2 4.18Å; Y245-Y249 HydrophobicContact CE1-CE2 4.24Å; Y245-Y249 AromaticContact CE2-CE2 3.65Å; Y245-Y249 HydrophobicContact CE2-CE2 3.65Å; Y245-Y249 AromaticContact CZ-CE2 3.66Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.32Å; Y245-I282 HydrophobicContact CD2-CB 4.26Å; Y245-I282 HydrophobicContact CD2-CD1 4.14Å; Y245-I282 HydrophobicContact CD2-CG1 3.67Å; Y245-I282 HydrophobicContact CD2-CG2 3.78Å; Y245-I282 HydrophobicContact CE2-CG1 4.24Å; Y245-I282 HydrophobicContact CE2-CG2 4.34Å; Y245-I282 HydrophobicContact CG-CD1 4.39Å; Y245-I282 HydrophobicContact CG-CG1 4.31Å |
| 246 | F | 98.1 | Very high | 97.1 | Very high | 47 Ų | 47 | 34.9 Ų | 34.9 | 21% | 0.206 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 173.5 | -176 | -95.2 | 0 | 0 | 0 | 112.3 | L192 L200 T242 G243 I244 F248 Y249 N250 | L192-F246 HydrophobicContact CB-CD1 3.89Å; L192-F246 HydrophobicContact CB-CD2 4.07Å; L192-F246 HydrophobicContact CB-CE1 3.92Å; L192-F246 HydrophobicContact CB-CE2 4.11Å; L192-F246 HydrophobicContact CB-CG 3.97Å; L192-F246 HydrophobicContact CB-CZ 4.04Å; L192-F246 HydrophobicContact CD1-CB 3.86Å; L192-F246 HydrophobicContact CD1-CD1 4.49Å; L192-F246 HydrophobicContact CD1-CD2 4.43Å; L192-F246 HydrophobicContact CD1-CG 4.03Å; L192-F246 HydrophobicContact CD2-CB 4.35Å; L192-F246 HydrophobicContact CD2-CD1 3.86Å; L192-F246 HydrophobicContact CD2-CE1 4.46Å; L192-F246 HydrophobicContact CD2-CG 4.22Å; L192-F246 HydrophobicContact CG-CD1 4.29Å; L192-F246 HydrophobicContact CG-CG 4.29Å; L192-F246 WeakPolarHBondContact O-CE1 2.96Å; L200-F246 HydrophobicContact CD1-CD1 4.14Å; L200-F246 HydrophobicContact CD1-CE1 3.92Å; L200-F246 HydrophobicContact CD2-CD1 3.95Å; L200-F246 HydrophobicContact CD2-CE1 4.18Å; T242-F246 PolarHBondContact O-N 3Å; T242-F246 VanDerWaalsContact O-N 3.09Å; G243-F246 PolarHBondContact O-N 3.24Å; I244-F246 VanDerWaalsContact C-N 3.34Å; I244-F246 PolarHBondContact O-N 3.11Å; F246-F248 VanDerWaalsContact C-N 3.33Å; F246-F248 PolarHBondContact O-N 3.14Å; F246-Y249 PolarHBondContact O-N 3.1Å; F246-N250 HydrophobicContact CD1-CB 4.44Å; F246-N250 WeakPolarHBondContact CD1-ND2 3.43Å; F246-N250 HydrophobicContact CE1-CB 4.15Å; F246-N250 VanDerWaalsContact CE1-ND2 3.29Å; F246-N250 WeakPolarHBondContact CE1-ND2 3.36Å; F246-N250 WeakPolarHBondContact CE2-ND2 3.43Å; F246-N250 WeakPolarHBondContact CZ-ND2 2.9Å; F246-N250 PolarHBondContact O-N 3.39Å; F246-N250 PolarHBondContact O-ND2 3.31Å |
| 247 | A | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.5 | -35.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | C204 G243 I244 Y245 Y249 N250 E252 A256 | C204-A247 WeakPolarHBondContact SG-CB 3.21Å; G243-A247 WeakPolarHBondContact O-CB 3.27Å; G243-A247 PolarHBondContact O-N 3.09Å; I244-A247 WeakPolarHBondContact O-CB 3.12Å; I244-A247 PolarHBondContact O-N 3Å; Y245-A247 PolarHBondContact O-N 2.95Å; A247-Y249 VanDerWaalsContact C-N 3.28Å; A247-Y249 PolarHBondContact O-N 2.89Å; A247-N250 PolarHBondContact O-N 3.23Å; A247-E252 HydrophobicContact CB-CB 4.24Å; A247-E252 PolarHBondContact O-N 2.9Å; A247-A256 HydrophobicContact CB-CB 4.02Å |
| 248 | F | 96.1 | Very high | 97 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.3 | -40.5 | 174.9 | -82.6 | -72.1 | 0 | 0 | 0 | 113.4 | I244 Y245 F246 W253 A256 Q257 L260 I282 L286 | I244-F248 HydrophobicContact CG2-CD2 4.27Å; I244-F248 HydrophobicContact CG2-CE2 3.83Å; I244-F248 WeakPolarHBondContact O-CD2 3.26Å; I244-F248 PolarHBondContact O-N 2.82Å; Y245-F248 PolarHBondContact O-N 3.18Å; F246-F248 VanDerWaalsContact C-N 3.33Å; F246-F248 PolarHBondContact O-N 3.14Å; F248-W253 HydrophobicContact CB-CE3 4.41Å; F248-W253 AromaticContact CD1-CD2 3.91Å; F248-W253 HydrophobicContact CD1-CD2 3.91Å; F248-W253 AromaticContact CD1-CE3 3.66Å; F248-W253 HydrophobicContact CD1-CE3 3.66Å; F248-W253 HydrophobicContact CD1-CG 4.47Å; F248-W253 HydrophobicContact CD1-CH2 4.48Å; F248-W253 AromaticContact CD1-CZ3 3.97Å; F248-W253 HydrophobicContact CD1-CZ3 3.97Å; F248-W253 HydrophobicContact CE1-CD2 4.38Å; F248-W253 HydrophobicContact CE1-CE3 4.48Å; F248-A256 HydrophobicContact CB-CB 4.46Å; F248-A256 HydrophobicContact CD1-CB 3.75Å; F248-A256 HydrophobicContact CD2-CB 3.76Å; F248-A256 HydrophobicContact CE1-CB 3.89Å; F248-A256 HydrophobicContact CE2-CB 3.88Å; F248-A256 HydrophobicContact CG-CB 3.69Å; F248-A256 HydrophobicContact CZ-CB 3.95Å; F248-Q257 HydrophobicContact CE1-CB 3.94Å; F248-Q257 HydrophobicContact CZ-CB 4.29Å; F248-L260 HydrophobicContact CE2-CB 4.13Å; F248-L260 HydrophobicContact CE2-CD2 3.86Å; F248-L260 HydrophobicContact CZ-CB 4.02Å; F248-L260 HydrophobicContact CZ-CD2 3.71Å; F248-L260 HydrophobicContact CZ-CG 4.49Å; F248-I282 HydrophobicContact CD2-CG2 4.48Å; F248-I282 HydrophobicContact CE2-CG2 4.11Å; F248-L286 HydrophobicContact CB-CD2 4.08Å; F248-L286 HydrophobicContact CD1-CD1 4.18Å; F248-L286 HydrophobicContact CD1-CD2 3.76Å; F248-L286 HydrophobicContact CD2-CD1 4.45Å; F248-L286 HydrophobicContact CD2-CD2 4.01Å; F248-L286 HydrophobicContact CE1-CD1 3.62Å; F248-L286 HydrophobicContact CE1-CD2 4.09Å; F248-L286 HydrophobicContact CE2-CD1 3.95Å; F248-L286 HydrophobicContact CE2-CD2 4.33Å; F248-L286 HydrophobicContact CG-CD2 3.71Å; F248-L286 HydrophobicContact CZ-CD1 3.49Å; F248-L286 VanDerWaalsContact CZ-CD1 3.49Å; F248-L286 HydrophobicContact CZ-CD2 4.36Å |
| 249 | Y | 95.8 | Very high | 97 | Very high | 95 Ų | 95 | 39.4 Ų | 39.4 | 37% | 0.373 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -91.5 | -3.4 | -176.9 | -63.3 | -79.4 | 0 | 0 | 0 | 113.7 | Y245 F246 A247 M291 | Y245-Y249 HydrophobicContact CD2-CE2 4.18Å; Y245-Y249 HydrophobicContact CE1-CE2 4.24Å; Y245-Y249 AromaticContact CE2-CE2 3.65Å; Y245-Y249 HydrophobicContact CE2-CE2 3.65Å; Y245-Y249 AromaticContact CZ-CE2 3.66Å; Y245-Y249 WeakPolarHBondContact O-CD2 3.32Å; F246-Y249 PolarHBondContact O-N 3.1Å; A247-Y249 VanDerWaalsContact C-N 3.28Å; A247-Y249 PolarHBondContact O-N 2.89Å; Y249-M291 HydrophobicContact CD1-SD 4.06Å; Y249-M291 HydrophobicContact CE1-SD 4.13Å |
| 250 | N | 95.3 | Very high | 97 | Very high | 75 Ų | 75 | 37.8 Ų | 37.8 | 40% | 0.401 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.1 | 24.2 | -179.5 | -72.1 | -86.2 | 0 | 0 | 0 | 113.2 | L200 F246 A247 | L200-N250 HydrophobicContact CD1-CB 4.05Å; F246-N250 HydrophobicContact CD1-CB 4.44Å; F246-N250 WeakPolarHBondContact CD1-ND2 3.43Å; F246-N250 HydrophobicContact CE1-CB 4.15Å; F246-N250 VanDerWaalsContact CE1-ND2 3.29Å; F246-N250 WeakPolarHBondContact CE1-ND2 3.36Å; F246-N250 WeakPolarHBondContact CE2-ND2 3.43Å; F246-N250 WeakPolarHBondContact CZ-ND2 2.9Å; F246-N250 PolarHBondContact O-N 3.39Å; F246-N250 PolarHBondContact O-ND2 3.31Å; A247-N250 PolarHBondContact O-N 3.23Å |
| 251 | G | 90.3 | Very high | 97 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 68% | 0.68 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 98 | -14.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | W253 | G251-W253 PolarHBondContact O-N 3.26Å; G251-W253 VanDerWaalsContact O-N 3.14Å |
| 252 | E | 95.1 | Very high | 97 | Very high | 30 Ų | 30 | 39.4 Ų | 39.4 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | trans | -90.8 | 36.3 | -172.8 | -60.1 | -56.8 | 158 | 0 | 0 | 113.6 | L200 Q201 A247 D254 L255 A256 | L200-E252 HydrophobicContact CB-CG 4.27Å; Q201-E252 HydrophobicContact CG-CG 4.08Å; Q201-E252 WeakPolarHBondContact CG-OE1 3.45Å; Q201-E252 WeakPolarHBondContact CG-OE2 3.5Å; Q201-E252 PolarHBondContact NE2-OE1 3.39Å; Q201-E252 PolarHBondContact NE2-OE2 2.86Å; A247-E252 HydrophobicContact CB-CB 4.24Å; A247-E252 PolarHBondContact O-N 2.9Å; E252-D254 PolarHBondContact O-N 3.31Å; E252-L255 PolarHBondContact O-N 3.32Å; E252-L255 VanDerWaalsContact O-N 3.15Å; E252-A256 WeakPolarHBondContact O-CB 3.06Å; E252-A256 PolarHBondContact O-N 2.81Å | ||
| 253 | W | 95.4 | Very high | 97 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 12% | 0.117 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -51.3 | -50.4 | -170.8 | -177.5 | -85.3 | 0 | 0 | 0 | 113.8 | F248 G251 L255 A256 Q257 L286 P287 G289 P290 | F248-W253 HydrophobicContact CB-CE3 4.41Å; F248-W253 AromaticContact CD1-CD2 3.91Å; F248-W253 HydrophobicContact CD1-CD2 3.91Å; F248-W253 AromaticContact CD1-CE3 3.66Å; F248-W253 HydrophobicContact CD1-CE3 3.66Å; F248-W253 HydrophobicContact CD1-CG 4.47Å; F248-W253 HydrophobicContact CD1-CH2 4.48Å; F248-W253 AromaticContact CD1-CZ3 3.97Å; F248-W253 HydrophobicContact CD1-CZ3 3.97Å; F248-W253 HydrophobicContact CE1-CD2 4.38Å; F248-W253 HydrophobicContact CE1-CE3 4.48Å; G251-W253 PolarHBondContact O-N 3.26Å; G251-W253 VanDerWaalsContact O-N 3.14Å; W253-L255 VanDerWaalsContact C-N 3.31Å; W253-L255 PolarHBondContact O-N 2.96Å; W253-A256 PolarHBondContact O-N 3.45Å; W253-Q257 VanDerWaalsContact O-CB 3.28Å; W253-Q257 WeakPolarHBondContact O-CB 3.15Å; W253-Q257 PolarHBondContact O-N 2.97Å; W253-L286 HydrophobicContact CH2-CB 4.13Å; W253-L286 HydrophobicContact CH2-CD2 3.96Å; W253-L286 HydrophobicContact CH2-CG 4.47Å; W253-L286 HydrophobicContact CZ3-CD2 3.95Å; W253-P287 HydrophobicContact CH2-CG 3.8Å; W253-P287 WeakPolarHBondContact CH2-O 3.32Å; W253-P287 HydrophobicContact CZ3-CG 3.96Å; W253-G289 WeakPolarHBondContact CH2-O 3.25Å; W253-P290 HydrophobicContact CB-CB 3.98Å; W253-P290 HydrophobicContact CD2-CB 3.86Å; W253-P290 HydrophobicContact CE3-CB 4.24Å; W253-P290 HydrophobicContact CG-CB 3.72Å; W253-P290 HydrophobicContact CG-CG 4.4Å |
| 254 | D | 96.1 | Very high | 97 | Very high | 110 Ų | 110 | 36.9 Ų | 36.9 | 59% | 0.588 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -69.7 | -27.1 | -175.2 | -71.3 | -33.7 | 0 | 0 | 0 | 113.4 | E252 K258 | E252-D254 PolarHBondContact O-N 3.31Å; D254-K258 WeakPolarHBondContact O-CD 3.34Å; D254-K258 WeakPolarHBondContact O-CE 3.34Å; D254-K258 WeakPolarHBondContact O-CG 3.48Å; D254-K258 PolarHBondContact O-N 2.93Å; D254-K258 PolarHBondContact O-NZ 3.04Å |
| 255 | L | 97.3 | Very high | 97 | Very high | 38 Ų | 38 | 39.2 Ų | 39.2 | 20% | 0.199 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -82.6 | -42.6 | 175.9 | -65 | 178.2 | 0 | 0 | 0 | 110.3 | Q201 C204 Q205 E252 W253 Q257 K258 A259 | Q201-L255 HydrophobicContact CB-CD1 3.97Å; Q201-L255 HydrophobicContact CG-CD1 3.78Å; C204-L255 HydrophobicContact CB-CB 3.66Å; Q205-L255 HydrophobicContact CG-CD1 4.45Å; Q205-L255 HydrophobicContact CG-CD2 4.18Å; E252-L255 PolarHBondContact O-N 3.32Å; E252-L255 VanDerWaalsContact O-N 3.15Å; W253-L255 VanDerWaalsContact C-N 3.31Å; W253-L255 PolarHBondContact O-N 2.96Å; L255-Q257 PolarHBondContact O-N 3.2Å; L255-K258 PolarHBondContact O-N 3.27Å; L255-A259 WeakPolarHBondContact O-CB 3.28Å; L255-A259 PolarHBondContact O-N 3.49Å |
| 256 | A | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I244 A247 F248 E252 W253 K258 A259 L260 | I244-A256 HydrophobicContact CG2-CB 4.06Å; I244-A256 WeakPolarHBondContact CG2-O 3.44Å; A247-A256 HydrophobicContact CB-CB 4.02Å; F248-A256 HydrophobicContact CB-CB 4.46Å; F248-A256 HydrophobicContact CD1-CB 3.75Å; F248-A256 HydrophobicContact CD2-CB 3.76Å; F248-A256 HydrophobicContact CE1-CB 3.89Å; F248-A256 HydrophobicContact CE2-CB 3.88Å; F248-A256 HydrophobicContact CG-CB 3.69Å; F248-A256 HydrophobicContact CZ-CB 3.95Å; E252-A256 WeakPolarHBondContact O-CB 3.06Å; E252-A256 PolarHBondContact O-N 2.81Å; W253-A256 PolarHBondContact O-N 3.45Å; A256-K258 PolarHBondContact O-N 3.38Å; A256-A259 PolarHBondContact O-N 3.3Å; A256-L260 WeakPolarHBondContact O-CB 3.28Å; A256-L260 PolarHBondContact O-N 3.21Å |
| 257 | Q | 97.4 | Very high | 97.1 | Very high | 46 Ų | 46 | 32.5 Ų | 32.5 | 22% | 0.215 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.8 | -46.1 | 175.4 | -174.9 | 59 | 48 | 0 | 0 | 112.1 | F248 W253 L255 A259 L260 D261 | F248-Q257 HydrophobicContact CE1-CB 3.94Å; F248-Q257 HydrophobicContact CZ-CB 4.29Å; W253-Q257 VanDerWaalsContact O-CB 3.28Å; W253-Q257 WeakPolarHBondContact O-CB 3.15Å; W253-Q257 PolarHBondContact O-N 2.97Å; L255-Q257 PolarHBondContact O-N 3.2Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-A259 PolarHBondContact O-N 3.2Å; Q257-L260 PolarHBondContact O-N 3.46Å; Q257-D261 PolarHBondContact NE2-OD1 3.06Å; Q257-D261 PolarHBondContact NE2-OD2 3.22Å; Q257-D261 PolarHBondContact O-N 2.91Å |
| 258 | K | 97.8 | Very high | 97.1 | Very high | 86 Ų | 86 | 37.5 Ų | 37.5 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.5 | -69.9 | 163.5 | -165 | 152.9 | 0 | 111.2 | R221 D254 L255 A256 D262 | R221-K258 PolarHBondContact NH2-O 3.47Å; D254-K258 WeakPolarHBondContact O-CD 3.34Å; D254-K258 WeakPolarHBondContact O-CE 3.34Å; D254-K258 WeakPolarHBondContact O-CG 3.48Å; D254-K258 PolarHBondContact O-N 2.93Å; D254-K258 PolarHBondContact O-NZ 3.04Å; L255-K258 PolarHBondContact O-N 3.27Å; A256-K258 PolarHBondContact O-N 3.38Å; K258-D262 WeakPolarHBondContact O-CB 3.48Å; K258-D262 PolarHBondContact O-N 2.97Å; K258-D262 VanDerWaalsContact O-N 3.13Å |
| 259 | A | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.8 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C204 C207 I244 L255 A256 Q257 D261 D262 I263 | C204-A259 HydrophobicContact CB-CB 4.45Å; C204-A259 WeakPolarHBondContact O-CB 3.27Å; C207-A259 HydrophobicContact CB-CB 4.45Å; I244-A259 HydrophobicContact CD1-CB 3.55Å; I244-A259 HydrophobicContact CG1-CB 4.02Å; I244-A259 HydrophobicContact CG2-CB 4.35Å; L255-A259 WeakPolarHBondContact O-CB 3.28Å; L255-A259 PolarHBondContact O-N 3.49Å; A256-A259 PolarHBondContact O-N 3.3Å; Q257-A259 VanDerWaalsContact C-N 3.34Å; Q257-A259 PolarHBondContact O-N 3.2Å; A259-D261 PolarHBondContact O-N 2.92Å; A259-D262 PolarHBondContact O-N 3.27Å; A259-D262 VanDerWaalsContact O-N 3.16Å; A259-I263 WeakPolarHBondContact O-CG1 3.44Å; A259-I263 PolarHBondContact O-N 3.36Å |
| 260 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.3 | -50.1 | 177.2 | -179.4 | 67.4 | 0 | 0 | 0 | 111.4 | L241 I244 F248 A256 Q257 D262 I263 I264 A279 I282 K283 L286 | L241-L260 HydrophobicContact CD2-CD1 3.61Å; I244-L260 HydrophobicContact CG2-CB 4.21Å; F248-L260 HydrophobicContact CE2-CB 4.13Å; F248-L260 HydrophobicContact CE2-CD2 3.86Å; F248-L260 HydrophobicContact CZ-CB 4.02Å; F248-L260 HydrophobicContact CZ-CD2 3.71Å; F248-L260 HydrophobicContact CZ-CG 4.49Å; A256-L260 WeakPolarHBondContact O-CB 3.28Å; A256-L260 PolarHBondContact O-N 3.21Å; Q257-L260 PolarHBondContact O-N 3.46Å; L260-D262 PolarHBondContact O-N 2.59Å; L260-I263 PolarHBondContact O-N 3.06Å; L260-I264 HydrophobicContact CD1-CD1 4.47Å; L260-I264 HydrophobicContact CG-CD1 4.14Å; L260-I264 WeakPolarHBondContact O-CG1 3.27Å; L260-I264 PolarHBondContact O-N 3.49Å; L260-A279 HydrophobicContact CD1-CB 3.74Å; L260-I282 HydrophobicContact CD1-CB 4.28Å; L260-I282 HydrophobicContact CD1-CG2 4.06Å; L260-I282 HydrophobicContact CD2-CG2 3.79Å; L260-K283 HydrophobicContact CD2-CB 4.19Å; L260-L286 HydrophobicContact CD2-CD1 3.96Å |
| 261 | D | 98.4 | Very high | 97.4 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 19% | 0.193 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.6 | -33.5 | 178.5 | -75.4 | -44.2 | 0 | 0 | 0 | 111.8 | R217 Q257 A259 Y265 K283 | R217-D261 PolarHBondContact NH1-O 3.14Å; Q257-D261 PolarHBondContact NE2-OD1 3.06Å; Q257-D261 PolarHBondContact NE2-OD2 3.22Å; Q257-D261 PolarHBondContact O-N 2.91Å; A259-D261 PolarHBondContact O-N 2.92Å; D261-Y265 WeakPolarHBondContact O-CB 3.46Å; D261-Y265 PolarHBondContact O-N 2.77Å; D261-K283 IonicContact OD1-NZ 3.45Å; D261-K283 PolarHBondContact OD1-NZ 2.68Å |
| 262 | D | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75.6 | -34.9 | 177.9 | -72.1 | -14.4 | 0 | 0 | 0 | 113.5 | S208 C211 V212 R217 R221 K258 A259 L260 Y265 R266 | S208-D262 PolarHBondContact OG-OD2 3.25Å; C211-D262 HydrophobicContact CB-CB 4.33Å; V212-D262 HydrophobicContact CG1-CB 3.77Å; V212-D262 VanDerWaalsContact CG1-CG 3.49Å; R217-D262 WeakPolarHBondContact CD-OD1 3.3Å; R217-D262 IonicContact CZ-OD1 2.68Å; R217-D262 IonicContact NE-OD1 3.56Å; R217-D262 IonicContact NH1-OD1 3.51Å; R217-D262 PolarHBondContact NH1-OD1 2.97Å; R221-D262 IonicContact CZ-OD1 2.88Å; R221-D262 IonicContact CZ-OD2 2.63Å; R221-D262 IonicContact NE-OD1 3.99Å; R221-D262 PolarHBondContact NE-OD1 2.83Å; R221-D262 VanDerWaalsContact NE-OD1 3.12Å; R221-D262 IonicContact NE-OD2 3.37Å; R221-D262 PolarHBondContact NE-OD2 3.5Å; R221-D262 VanDerWaalsContact NH2-CG 3.29Å; R221-D262 IonicContact NH2-OD1 3.2Å; R221-D262 PolarHBondContact NH2-OD1 3Å; R221-D262 IonicContact NH2-OD2 3.12Å; R221-D262 PolarHBondContact NH2-OD2 2.94Å; K258-D262 WeakPolarHBondContact O-CB 3.48Å; K258-D262 PolarHBondContact O-N 2.97Å; K258-D262 VanDerWaalsContact O-N 3.13Å; A259-D262 PolarHBondContact O-N 3.27Å; A259-D262 VanDerWaalsContact O-N 3.16Å; L260-D262 PolarHBondContact O-N 2.59Å; D262-Y265 PolarHBondContact O-N 3.45Å; D262-R266 WeakPolarHBondContact O-CB 3.41Å; D262-R266 PolarHBondContact O-N 3.47Å |
| 263 | I | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.9 | -44 | 170 | -65.8 | 161.2 | 0 | 0 | 0 | 109.9 | C211 M237 M240 L241 I244 A259 L260 Y265 R266 A267 | C211-I263 VanDerWaalsContact SG-CG1 3.56Å; M237-I263 HydrophobicContact CB-CG2 4.44Å; M240-I263 HydrophobicContact CB-CD1 4.07Å; M240-I263 HydrophobicContact SD-CD1 4.47Å; L241-I263 HydrophobicContact CD1-CG2 4.02Å; L241-I263 HydrophobicContact CD2-CB 4.24Å; L241-I263 HydrophobicContact CD2-CD1 3.76Å; L241-I263 HydrophobicContact CD2-CG2 3.84Å; L241-I263 HydrophobicContact CG-CD1 4.14Å; L241-I263 HydrophobicContact CG-CG2 3.96Å; I244-I263 HydrophobicContact CG1-CD1 3.98Å; A259-I263 WeakPolarHBondContact O-CG1 3.44Å; A259-I263 PolarHBondContact O-N 3.36Å; L260-I263 PolarHBondContact O-N 3.06Å; I263-Y265 PolarHBondContact O-N 3.25Å; I263-R266 PolarHBondContact O-N 2.86Å; I263-A267 VanDerWaalsContact O-CB 3.3Å; I263-A267 WeakPolarHBondContact O-CB 3.45Å; I263-A267 PolarHBondContact O-N 2.99Å |
| 264 | I | 98.6 | Very high | 98.1 | Very high | 12 Ų | 12 | 49.8 Ų | 49.8 | 6% | 0.062 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -49.7 | 175.3 | -68.4 | 167.4 | 0 | 0 | 0 | 110.5 | L260 R266 A267 Q268 L276 A279 K283 | L260-I264 HydrophobicContact CD1-CD1 4.47Å; L260-I264 HydrophobicContact CG-CD1 4.14Å; L260-I264 WeakPolarHBondContact O-CG1 3.27Å; L260-I264 PolarHBondContact O-N 3.49Å; I264-R266 VanDerWaalsContact C-N 3.32Å; I264-R266 PolarHBondContact O-N 3Å; I264-A267 PolarHBondContact O-N 3.31Å; I264-Q268 HydrophobicContact CG2-CG 4.46Å; I264-Q268 WeakPolarHBondContact O-CB 3Å; I264-Q268 VanDerWaalsContact O-CG 3.27Å; I264-Q268 WeakPolarHBondContact O-CG 2.93Å; I264-Q268 PolarHBondContact O-N 3.03Å; I264-L276 HydrophobicContact CG2-CD1 4.12Å; I264-A279 HydrophobicContact CD1-CB 4.14Å; I264-A279 HydrophobicContact CG1-CB 3.48Å; I264-A279 VanDerWaalsContact CG1-CB 3.48Å; I264-K283 HydrophobicContact CD1-CD 3.79Å |
| 265 | Y | 98.6 | Very high | 98.2 | Very high | 48 Ų | 48 | 44.6 Ų | 44.6 | 19% | 0.188 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.3 | -44.3 | 177.3 | 169.1 | -102.1 | 0 | 0 | 0 | 112.1 | V212 Y215 R217 D261 D262 I263 L269 | V212-Y265 HydrophobicContact CG1-CD1 4.42Å; Y215-Y265 HydrophobicContact CG-CE1 4.4Å; R217-Y265 HydrophobicContact CB-CD1 4.08Å; R217-Y265 HydrophobicContact CB-CE1 3.56Å; R217-Y265 HydrophobicContact CB-CE2 4.46Å; R217-Y265 HydrophobicContact CG-CE1 4.43Å; D261-Y265 WeakPolarHBondContact O-CB 3.46Å; D261-Y265 PolarHBondContact O-N 2.77Å; D262-Y265 PolarHBondContact O-N 3.45Å; I263-Y265 PolarHBondContact O-N 3.25Å; Y265-L269 HydrophobicContact CD1-CD1 4.32Å; Y265-L269 HydrophobicContact CD2-CD1 4.46Å; Y265-L269 HydrophobicContact CE1-CD1 3.74Å; Y265-L269 HydrophobicContact CE2-CD1 3.89Å; Y265-L269 HydrophobicContact CE2-CG 4.49Å; Y265-L269 WeakPolarHBondContact O-CG 3.31Å; Y265-L269 PolarHBondContact O-N 2.96Å |
| 266 | R | 98.4 | Very high | 98.3 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -44 | 179.5 | -176.7 | 57.8 | -179.4 | -75.2 | -2 | 112.2 | I210 C211 Y215 I230 M237 D262 I263 I264 Q268 L269 E270 | I210-R266 PolarHBondContact O-NH1 2.96Å; C211-R266 HydrophobicContact CB-CB 3.89Å; C211-R266 HydrophobicContact CB-CG 4.34Å; C211-R266 VanDerWaalsContact O-CD 3.31Å; C211-R266 WeakPolarHBondContact O-CD 3.45Å; C211-R266 PolarHBondContact O-NH1 3.22Å; Y215-R266 PolarHBondContact OH-NE 3.49Å; Y215-R266 PolarHBondContact OH-NH2 3.4Å; I230-R266 PolarHBondContact O-NH1 3.36Å; I230-R266 PolarHBondContact O-NH2 2.8Å; M237-R266 HydrophobicContact CE-CG 3.64Å; M237-R266 HydrophobicContact SD-CG 4.27Å; D262-R266 WeakPolarHBondContact O-CB 3.41Å; D262-R266 PolarHBondContact O-N 3.47Å; I263-R266 PolarHBondContact O-N 2.86Å; I264-R266 VanDerWaalsContact C-N 3.32Å; I264-R266 PolarHBondContact O-N 3Å; R266-Q268 VanDerWaalsContact C-N 3.29Å; R266-Q268 PolarHBondContact O-N 3.1Å; R266-L269 PolarHBondContact O-N 3.06Å; R266-L269 VanDerWaalsContact O-N 3.13Å; R266-E270 HydrophobicContact CG-CG 4.3Å; R266-E270 IonicContact CZ-OE1 2.78Å; R266-E270 VanDerWaalsContact NE-CG 3.32Å; R266-E270 IonicContact NE-OE1 3.61Å; R266-E270 PolarHBondContact NE-OE1 3.33Å; R266-E270 IonicContact NH2-OE1 3.93Å; R266-E270 PolarHBondContact NH2-OE1 2.79Å; R266-E270 WeakPolarHBondContact O-CG 3.24Å; R266-E270 PolarHBondContact O-N 3.23Å |
| 267 | A | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.8 | -33.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I263 I264 L271 Y272 P275 L276 | I263-A267 VanDerWaalsContact O-CB 3.3Å; I263-A267 WeakPolarHBondContact O-CB 3.45Å; I263-A267 PolarHBondContact O-N 2.99Å; I264-A267 PolarHBondContact O-N 3.31Å; A267-L271 WeakPolarHBondContact O-CA 3.2Å; A267-L271 PolarHBondContact O-N 2.83Å; A267-Y272 PolarHBondContact O-N 3.24Å; A267-P275 HydrophobicContact CB-CB 4.13Å; A267-L276 HydrophobicContact CB-CB 4.05Å |
| 268 | Q | 98.3 | Very high | 98.4 | Very high | 106 Ų | 106 | 51 Ų | 51 | 50% | 0.495 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 171.5 | -75.3 | 173.1 | -17.9 | 0 | 0 | 112.6 | I264 R266 L276 | I264-Q268 HydrophobicContact CG2-CG 4.46Å; I264-Q268 WeakPolarHBondContact O-CB 3Å; I264-Q268 VanDerWaalsContact O-CG 3.27Å; I264-Q268 WeakPolarHBondContact O-CG 2.93Å; I264-Q268 PolarHBondContact O-N 3.03Å; R266-Q268 VanDerWaalsContact C-N 3.29Å; R266-Q268 PolarHBondContact O-N 3.1Å; Q268-L276 HydrophobicContact CG-CD1 3.85Å; Q268-L276 HydrophobicContact CG-CD2 4.25Å |
| 269 | L | 98 | Very high | 98.4 | Very high | 90 Ų | 90 | 46.9 Ų | 46.9 | 47% | 0.471 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -74.4 | -35.2 | 179.7 | -69 | 179.5 | 0 | 0 | 0 | 113.5 | Y215 Y265 R266 L271 | Y215-L269 HydrophobicContact CD1-CD1 3.5Å; Y215-L269 VanDerWaalsContact CD1-CD1 3.5Å; Y215-L269 HydrophobicContact CE1-CD1 3.85Å; Y215-L269 HydrophobicContact CG-CD1 4.39Å; Y265-L269 HydrophobicContact CD1-CD1 4.32Å; Y265-L269 HydrophobicContact CD2-CD1 4.46Å; Y265-L269 HydrophobicContact CE1-CD1 3.74Å; Y265-L269 HydrophobicContact CE2-CD1 3.89Å; Y265-L269 HydrophobicContact CE2-CG 4.49Å; Y265-L269 WeakPolarHBondContact O-CG 3.31Å; Y265-L269 PolarHBondContact O-N 2.96Å; R266-L269 PolarHBondContact O-N 3.06Å; R266-L269 VanDerWaalsContact O-N 3.13Å; L269-L271 VanDerWaalsContact C-N 3.33Å |
| 270 | E | 97.5 | Very high | 98.4 | Very high | 60 Ų | 60 | 50.4 Ų | 50.4 | 28% | 0.28 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -3.2 | 176.9 | -58.1 | -68.1 | 176.9 | 0 | 0 | 113.2 | Y215 R266 Y272 | Y215-E270 PolarHBondContact OH-OE1 3.45Å; R266-E270 HydrophobicContact CG-CG 4.3Å; R266-E270 IonicContact CZ-OE1 2.78Å; R266-E270 VanDerWaalsContact NE-CG 3.32Å; R266-E270 IonicContact NE-OE1 3.61Å; R266-E270 PolarHBondContact NE-OE1 3.33Å; R266-E270 IonicContact NH2-OE1 3.93Å; R266-E270 PolarHBondContact NH2-OE1 2.79Å; R266-E270 WeakPolarHBondContact O-CG 3.24Å; R266-E270 PolarHBondContact O-N 3.23Å; E270-Y272 VanDerWaalsContact C-N 3.25Å; E270-Y272 HydrophobicContact CB-CD1 4Å; E270-Y272 HydrophobicContact CB-CD2 3.78Å; E270-Y272 HydrophobicContact CB-CE1 3.88Å; E270-Y272 HydrophobicContact CB-CE2 3.66Å; E270-Y272 HydrophobicContact CB-CG 3.94Å; E270-Y272 HydrophobicContact CG-CD2 4.45Å; E270-Y272 HydrophobicContact CG-CE2 4.04Å; E270-Y272 WeakPolarHBondContact O-CD1 3.44Å; E270-Y272 PolarHBondContact O-N 3.13Å |
| 271 | L | 98.2 | Very high | 98.4 | Very high | 146 Ų | 146 | 53.2 Ų | 53.2 | 76% | 0.764 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 33.8 | -175.6 | -56.8 | 173.4 | 0 | 0 | 0 | 114 | A267 L269 P273 | A267-L271 WeakPolarHBondContact O-CA 3.2Å; A267-L271 PolarHBondContact O-N 2.83Å; L269-L271 VanDerWaalsContact C-N 3.33Å; L271-P273 WeakPolarHBondContact O-CD 3.26Å |
| 272 | Y | 98.5 | Very high | 98.3 | Very high | 63 Ų | 63 | 52 Ų | 52 | 25% | 0.247 | 27% | 0.274 | C | S | . | . | trans | -81.5 | 115.6 | 178.8 | -64.5 | -20.7 | 0 | 0 | 0 | 111.3 | V232 M237 A267 E270 L276 | V232-Y272 VanDerWaalsContact O-CE2 3.26Å; V232-Y272 WeakPolarHBondContact O-CE2 3.46Å; V232-Y272 PolarHBondContact O-OH 3.21Å; M237-Y272 HydrophobicContact CE-CD2 3.84Å; M237-Y272 HydrophobicContact CE-CE2 3.73Å; M237-Y272 HydrophobicContact SD-CD2 4.03Å; M237-Y272 HydrophobicContact SD-CE2 4.5Å; A267-Y272 PolarHBondContact O-N 3.24Å; E270-Y272 VanDerWaalsContact C-N 3.25Å; E270-Y272 HydrophobicContact CB-CD1 4Å; E270-Y272 HydrophobicContact CB-CD2 3.78Å; E270-Y272 HydrophobicContact CB-CE1 3.88Å; E270-Y272 HydrophobicContact CB-CE2 3.66Å; E270-Y272 HydrophobicContact CB-CG 3.94Å; E270-Y272 HydrophobicContact CG-CD2 4.45Å; E270-Y272 HydrophobicContact CG-CE2 4.04Å; E270-Y272 WeakPolarHBondContact O-CD1 3.44Å; E270-Y272 PolarHBondContact O-N 3.13Å; Y272-L276 VanDerWaalsContact O-CB 3.27Å; Y272-L276 WeakPolarHBondContact O-CB 3.3Å; Y272-L276 PolarHBondContact O-N 2.97Å | ||
| 273 | P | 98.3 | Very high | 98.3 | Very high | 96 Ų | 96 | 56.7 Ų | 56.7 | 62% | 0.623 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -75.2 | -38.8 | -172.2 | 28.5 | -33.7 | 0 | 0 | 0 | 112.7 | L271 L276 L277 | L271-P273 WeakPolarHBondContact O-CD 3.26Å; P273-L276 PolarHBondContact O-N 3.25Å; P273-L277 WeakPolarHBondContact O-CB 3.46Å; P273-L277 PolarHBondContact O-N 3.5Å |
| 274 | E | 98.1 | Very high | 98.2 | Very high | 108 Ų | 108 | 61 Ų | 61 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.3 | -48.9 | -174.3 | -40.4 | 166.9 | 120.5 | 0 | 0 | 112.4 | S234 V238 L276 L277 V278 | S234-E274 WeakPolarHBondContact CB-OE2 3.2Å; S234-E274 PolarHBondContact OG-OE2 2.96Å; V238-E274 HydrophobicContact CG2-CB 4.02Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 3.5Å; E274-L277 PolarHBondContact O-N 2.99Å; E274-V278 WeakPolarHBondContact O-CG2 3.33Å; E274-V278 PolarHBondContact O-N 2.96Å |
| 275 | P | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -35 | 178.7 | -15.2 | 31.6 | 0 | 0 | 0 | 110.9 | S234 M237 V238 L241 A267 A279 | S234-P275 VanDerWaalsContact OG-CD 3.3Å; S234-P275 WeakPolarHBondContact OG-CD 3.27Å; S234-P275 WeakPolarHBondContact OG-CG 3.46Å; M237-P275 HydrophobicContact CB-CB 3.74Å; M237-P275 HydrophobicContact CB-CG 3.8Å; M237-P275 HydrophobicContact SD-CB 4.47Å; M237-P275 HydrophobicContact SD-CG 4.45Å; V238-P275 HydrophobicContact CG2-CB 4.48Å; V238-P275 HydrophobicContact CG2-CG 4.08Å; L241-P275 HydrophobicContact CD1-CB 4.05Å; L241-P275 VanDerWaalsContact CD1-O 3.28Å; L241-P275 WeakPolarHBondContact CD1-O 3.41Å; A267-P275 HydrophobicContact CB-CB 4.13Å; P275-A279 WeakPolarHBondContact O-CB 3.45Å; P275-A279 PolarHBondContact O-N 2.76Å |
| 276 | L | 98.5 | Very high | 97.9 | Very high | 42 Ų | 42 | 62.1 Ų | 62.1 | 22% | 0.22 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.7 | -41.8 | 176.1 | -175.4 | 58.2 | 0 | 0 | 0 | 111.8 | I264 A267 Q268 Y272 P273 E274 N280 | I264-L276 HydrophobicContact CG2-CD1 4.12Å; A267-L276 HydrophobicContact CB-CB 4.05Å; Q268-L276 HydrophobicContact CG-CD1 3.85Å; Q268-L276 HydrophobicContact CG-CD2 4.25Å; Y272-L276 VanDerWaalsContact O-CB 3.27Å; Y272-L276 WeakPolarHBondContact O-CB 3.3Å; Y272-L276 PolarHBondContact O-N 2.97Å; P273-L276 PolarHBondContact O-N 3.25Å; E274-L276 VanDerWaalsContact C-N 3.32Å; E274-L276 PolarHBondContact O-N 3.5Å; L276-N280 WeakPolarHBondContact CD1-ND2 3.26Å; L276-N280 VanDerWaalsContact O-CB 3.28Å; L276-N280 WeakPolarHBondContact O-CB 3.41Å; L276-N280 VanDerWaalsContact O-CG 3.23Å; L276-N280 PolarHBondContact O-N 3.09Å; L276-N280 PolarHBondContact O-ND2 3Å |
| 277 | L | 98.6 | Very high | 97.4 | Very high | 125 Ų | 125 | 64.5 Ų | 64.5 | 65% | 0.654 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.8 | -53 | 175 | 175.1 | 62.6 | 0 | 0 | 0 | 111.1 | P273 E274 N280 A281 | P273-L277 WeakPolarHBondContact O-CB 3.46Å; P273-L277 PolarHBondContact O-N 3.5Å; E274-L277 PolarHBondContact O-N 2.99Å; L277-N280 PolarHBondContact O-N 3.01Å; L277-A281 WeakPolarHBondContact O-CB 3.43Å; L277-A281 PolarHBondContact O-N 2.84Å |
| 278 | V | 98.6 | Very high | 96.5 | Very high | 52 Ų | 52 | 74.9 Ų | 74.9 | 32% | 0.315 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | -179 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L241 E274 N280 A281 I282 | L241-V278 HydrophobicContact CB-CG1 4.05Å; L241-V278 HydrophobicContact CD1-CB 3.99Å; L241-V278 HydrophobicContact CD1-CG1 3.95Å; E274-V278 WeakPolarHBondContact O-CG2 3.33Å; E274-V278 PolarHBondContact O-N 2.96Å; V278-N280 PolarHBondContact O-N 3.32Å; V278-A281 PolarHBondContact O-N 3.37Å; V278-I282 HydrophobicContact CG1-CD1 3.93Å; V278-I282 HydrophobicContact CG1-CG1 4.49Å; V278-I282 VanDerWaalsContact O-CG1 3.31Å; V278-I282 WeakPolarHBondContact O-CG1 3.3Å; V278-I282 PolarHBondContact O-N 3.27Å |
| 279 | A | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -66.3 | -37.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L241 L260 I264 P275 K283 | L241-A279 HydrophobicContact CD1-CB 3.95Å; L241-A279 HydrophobicContact CD2-CB 3.75Å; L260-A279 HydrophobicContact CD1-CB 3.74Å; I264-A279 HydrophobicContact CD1-CB 4.14Å; I264-A279 HydrophobicContact CG1-CB 3.48Å; I264-A279 VanDerWaalsContact CG1-CB 3.48Å; P275-A279 WeakPolarHBondContact O-CB 3.45Å; P275-A279 PolarHBondContact O-N 2.76Å; A279-K283 VanDerWaalsContact O-CB 3.31Å; A279-K283 WeakPolarHBondContact O-CB 3.27Å; A279-K283 PolarHBondContact O-N 3.35Å |
| 280 | N | 98.3 | Very high | 94.3 | Very high | 74 Ų | 74 | 70.3 Ų | 70.3 | 40% | 0.396 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -69 | -38.5 | 173.4 | -75.9 | -36.1 | 0 | 0 | 0 | 112 | L276 L277 V278 K283 A284 | L276-N280 WeakPolarHBondContact CD1-ND2 3.26Å; L276-N280 VanDerWaalsContact O-CB 3.28Å; L276-N280 WeakPolarHBondContact O-CB 3.41Å; L276-N280 VanDerWaalsContact O-CG 3.23Å; L276-N280 PolarHBondContact O-N 3.09Å; L276-N280 PolarHBondContact O-ND2 3Å; L277-N280 PolarHBondContact O-N 3.01Å; V278-N280 PolarHBondContact O-N 3.32Å; N280-K283 PolarHBondContact O-N 3.36Å; N280-A284 WeakPolarHBondContact O-CB 3.32Å; N280-A284 PolarHBondContact O-N 3.36Å |
| 281 | A | 98.4 | Very high | 92.8 | Very high | 58 Ų | 58 | 74.3 Ų | 74.3 | 48% | 0.479 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L277 V278 A284 S285 | L277-A281 WeakPolarHBondContact O-CB 3.43Å; L277-A281 PolarHBondContact O-N 2.84Å; V278-A281 PolarHBondContact O-N 3.37Å; A281-A284 PolarHBondContact O-N 2.91Å; A281-S285 WeakPolarHBondContact O-CB 3.5Å; A281-S285 PolarHBondContact O-N 3.45Å; A281-S285 PolarHBondContact O-OG 3.5Å |
| 282 | I | 98.2 | Very high | 90.9 | Very high | 11 Ų | 11 | 76.2 Ų | 76.2 | 6% | 0.056 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -56.3 | -54.6 | 171.6 | -69.2 | 166.1 | 0 | 0 | 0 | 109.6 | L241 Y245 F248 L260 V278 A284 S285 L286 | L241-I282 HydrophobicContact CB-CD1 4.08Å; L241-I282 HydrophobicContact CD2-CD1 4.14Å; Y245-I282 HydrophobicContact CD2-CB 4.26Å; Y245-I282 HydrophobicContact CD2-CD1 4.14Å; Y245-I282 HydrophobicContact CD2-CG1 3.67Å; Y245-I282 HydrophobicContact CD2-CG2 3.78Å; Y245-I282 HydrophobicContact CE2-CG1 4.24Å; Y245-I282 HydrophobicContact CE2-CG2 4.34Å; Y245-I282 HydrophobicContact CG-CD1 4.39Å; Y245-I282 HydrophobicContact CG-CG1 4.31Å; F248-I282 HydrophobicContact CD2-CG2 4.48Å; F248-I282 HydrophobicContact CE2-CG2 4.11Å; L260-I282 HydrophobicContact CD1-CB 4.28Å; L260-I282 HydrophobicContact CD1-CG2 4.06Å; L260-I282 HydrophobicContact CD2-CG2 3.79Å; V278-I282 HydrophobicContact CG1-CD1 3.93Å; V278-I282 HydrophobicContact CG1-CG1 4.49Å; V278-I282 VanDerWaalsContact O-CG1 3.31Å; V278-I282 WeakPolarHBondContact O-CG1 3.3Å; V278-I282 PolarHBondContact O-N 3.27Å; I282-A284 VanDerWaalsContact C-N 3.25Å; I282-A284 PolarHBondContact O-N 3.4Å; I282-S285 PolarHBondContact O-N 2.59Å; I282-S285 PolarHBondContact O-OG 2.84Å; I282-L286 HydrophobicContact CG2-CD1 4.28Å; I282-L286 HydrophobicContact CG2-CG 4.34Å; I282-L286 WeakPolarHBondContact O-CG 3.34Å; I282-L286 PolarHBondContact O-N 3.49Å; I282-L286 VanDerWaalsContact O-N 3.13Å |
| 283 | K | 96.8 | Very high | 88.6 | Confident | 99 Ų | 99 | 78.5 Ų | 78.5 | 43% | 0.43 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -57.6 | -35 | -177.7 | -171.3 | 163.5 | -175.4 | 157.9 | 0 | 113.5 | L260 D261 I264 A279 N280 | L260-K283 HydrophobicContact CD2-CB 4.19Å; D261-K283 IonicContact OD1-NZ 3.45Å; D261-K283 PolarHBondContact OD1-NZ 2.68Å; I264-K283 HydrophobicContact CD1-CD 3.79Å; A279-K283 VanDerWaalsContact O-CB 3.31Å; A279-K283 WeakPolarHBondContact O-CB 3.27Å; A279-K283 PolarHBondContact O-N 3.35Å; N280-K283 PolarHBondContact O-N 3.36Å |
| 284 | A | 96.8 | Very high | 86.1 | Confident | 91 Ų | 91 | 79.6 Ų | 79.6 | 75% | 0.752 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -77 | -25.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N280 A281 I282 | N280-A284 WeakPolarHBondContact O-CB 3.32Å; N280-A284 PolarHBondContact O-N 3.36Å; A281-A284 PolarHBondContact O-N 2.91Å; I282-A284 VanDerWaalsContact C-N 3.25Å; I282-A284 PolarHBondContact O-N 3.4Å |
| 285 | S | 96.4 | Very high | 83.9 | Confident | 59 Ų | 59 | 84.5 Ų | 84.5 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84.3 | -18 | 178.3 | 72.8 | 0 | 0 | 0 | 0 | 114.5 | A281 I282 | A281-S285 WeakPolarHBondContact O-CB 3.5Å; A281-S285 PolarHBondContact O-N 3.45Å; A281-S285 PolarHBondContact O-OG 3.5Å; I282-S285 PolarHBondContact O-N 2.59Å; I282-S285 PolarHBondContact O-OG 2.84Å |
| 286 | L | 94 | Very high | 81.3 | Confident | 24 Ų | 24 | 92.6 Ų | 92.6 | 13% | 0.126 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -69 | 139.9 | -175.4 | -74.3 | 170.9 | 0 | 0 | 0 | 111.8 | F248 W253 L260 I282 | F248-L286 HydrophobicContact CB-CD2 4.08Å; F248-L286 HydrophobicContact CD1-CD1 4.18Å; F248-L286 HydrophobicContact CD1-CD2 3.76Å; F248-L286 HydrophobicContact CD2-CD1 4.45Å; F248-L286 HydrophobicContact CD2-CD2 4.01Å; F248-L286 HydrophobicContact CE1-CD1 3.62Å; F248-L286 HydrophobicContact CE1-CD2 4.09Å; F248-L286 HydrophobicContact CE2-CD1 3.95Å; F248-L286 HydrophobicContact CE2-CD2 4.33Å; F248-L286 HydrophobicContact CG-CD2 3.71Å; F248-L286 HydrophobicContact CZ-CD1 3.49Å; F248-L286 VanDerWaalsContact CZ-CD1 3.49Å; F248-L286 HydrophobicContact CZ-CD2 4.36Å; W253-L286 HydrophobicContact CH2-CB 4.13Å; W253-L286 HydrophobicContact CH2-CD2 3.96Å; W253-L286 HydrophobicContact CH2-CG 4.47Å; W253-L286 HydrophobicContact CZ3-CD2 3.95Å; L260-L286 HydrophobicContact CD2-CD1 3.96Å; I282-L286 HydrophobicContact CG2-CD1 4.28Å; I282-L286 HydrophobicContact CG2-CG 4.34Å; I282-L286 WeakPolarHBondContact O-CG 3.34Å; I282-L286 PolarHBondContact O-N 3.49Å; I282-L286 VanDerWaalsContact O-N 3.13Å |
| 287 | P | 89.4 | Confident | 78.6 | Confident | 51 Ų | 51 | 93.3 Ų | 93.3 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | trans | -64.6 | 162.8 | 169.9 | 26.8 | -33 | 0 | 0 | 0 | 111.5 | W253 G289 M291 | W253-P287 HydrophobicContact CH2-CG 3.8Å; W253-P287 WeakPolarHBondContact CH2-O 3.32Å; W253-P287 HydrophobicContact CZ3-CG 3.96Å; P287-G289 PolarHBondContact O-N 3.49Å; P287-M291 HydrophobicContact CG-CG 4.17Å | ||
| 288 | H | 78 | Confident | 75.8 | Confident | 217 Ų | 217 | 93.4 Ų | 93.4 | 100% | 1.005 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -63.7 | 5.9 | -177.9 | -67.5 | 82.4 | 0 | 0 | 0 | 115.3 | ||
| 289 | G | 74.4 | Confident | 73.1 | Confident | 27 Ų | 27 | 103 Ų | 103 | 28% | 0.278 | 56% | 0.557 | S | S | . | * | S | Bend | trans | 174 | 173.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | W253 P287 M291 | W253-G289 WeakPolarHBondContact CH2-O 3.25Å; P287-G289 PolarHBondContact O-N 3.49Å; G289-M291 PolarHBondContact O-N 3.49Å |
| 290 | P | 75.8 | Confident | 70.7 | Confident | 73 Ų | 73 | 107.3 Ų | 107.3 | 47% | 0.474 | 59% | 0.586 | S | S | . | * | trans | -57 | 135.1 | 180 | 23 | -33.4 | 0 | 0 | 0 | 111.6 | W253 K292 | W253-P290 HydrophobicContact CB-CB 3.98Å; W253-P290 HydrophobicContact CD2-CB 3.86Å; W253-P290 HydrophobicContact CE3-CB 4.24Å; W253-P290 HydrophobicContact CG-CB 3.72Å; W253-P290 HydrophobicContact CG-CG 4.4Å; P290-K292 PolarHBondContact O-N 3.25Å | ||
| 291 | M | 66.4 | Low | 68.4 | Low | 144 Ų | 144 | 110.9 Ų | 110.9 | 71% | 0.709 | 60% | 0.604 | S | S | * | * | trans | -63.5 | 103.1 | 171.6 | -66.9 | -167.1 | 82.1 | 0 | 0 | 109 | Y249 P287 G289 S293 | Y249-M291 HydrophobicContact CD1-SD 4.06Å; Y249-M291 HydrophobicContact CE1-SD 4.13Å; P287-M291 HydrophobicContact CG-CG 4.17Å; G289-M291 PolarHBondContact O-N 3.49Å; M291-S293 PolarHBondContact O-N 3.34Å | ||
| 292 | K | 58.5 | Low | 65.8 | Low | 187 Ų | 187 | 116.8 Ų | 116.8 | 81% | 0.813 | 62% | 0.622 | S | S | * | * | trans | -62.2 | 123.7 | 175.9 | -66.2 | -178.2 | -179.5 | 179 | 0 | 108.8 | P290 N294 | P290-K292 PolarHBondContact O-N 3.25Å; K292-N294 PolarHBondContact O-N 3.49Å | ||
| 293 | S | 51.1 | Low | 63.4 | Low | 111 Ų | 111 | 121 Ų | 121 | 78% | 0.776 | 65% | 0.648 | S | S | * | * | trans | -70.9 | 84.1 | 170.4 | 46.9 | 0 | 0 | 0 | 0 | 109.5 | M291 K295 | M291-S293 PolarHBondContact O-N 3.34Å; S293-K295 PolarHBondContact O-N 3.05Å | ||
| 294 | N | 44.6 | Very low | 61 | Low | 119 Ų | 119 | 125.1 Ų | 125.1 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | trans | -60.7 | 108.6 | 171.7 | -117 | 31.1 | 0 | 0 | 0 | 108.1 | K292 E296 | K292-N294 PolarHBondContact O-N 3.49Å; N294-E296 WeakPolarHBondContact CB-O 3.14Å; N294-E296 VanDerWaalsContact CG-O 3.27Å; N294-E296 PolarHBondContact ND2-O 2.97Å; N294-E296 PolarHBondContact O-N 3.39Å | ||
| 295 | K | 53.2 | Low | 58.9 | Low | 210 Ų | 210 | 127.1 Ų | 127.1 | 91% | 0.913 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -70 | -13.5 | 172.8 | -72.4 | -172.9 | 175.3 | -177.6 | 0 | 112.1 | S293 | S293-K295 PolarHBondContact O-N 3.05Š|
| 296 | E | 43.8 | Very low | 56.8 | Low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -126.3 | 125.2 | 169.1 | -64.7 | 177.6 | 138 | 0 | 0 | 108.7 | N294 | N294-E296 WeakPolarHBondContact CB-O 3.14Å; N294-E296 VanDerWaalsContact CG-O 3.27Å; N294-E296 PolarHBondContact ND2-O 2.97Å; N294-E296 PolarHBondContact O-N 3.39Å |
| 297 | G | 41.8 | Very low | 54.4 | Low | 57 Ų | 57 | 134.2 Ų | 134.2 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | S | Bend | trans | 116.5 | 116 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | R299 | G297-R299 PolarHBondContact O-N 3.01Š|
| 298 | T | 38.2 | Very low | 52.5 | Low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | -37.9 | 130 | 178.5 | -38.8 | 0 | 0 | 0 | 0 | 113.4 | C300 | T298-C300 PolarHBondContact O-N 3.02Š| ||
| 299 | R | 43.5 | Very low | 51.1 | Low | 254 Ų | 254 | 131.8 Ų | 131.8 | 96% | 0.958 | 71% | 0.712 | S | S | * | * | trans | -68.4 | 74 | 165.3 | -62.3 | -176.5 | -168.2 | 174.9 | 3.3 | 109.7 | G297 | G297-R299 PolarHBondContact O-N 3.01Š| ||
| 300 | C | 46.4 | Very low | 49.7 | Very low | 90 Ų | 90 | 135.7 Ų | 135.7 | 61% | 0.608 | 74% | 0.736 | S | S | * | * | trans | -85.5 | 123 | 173.4 | 56.6 | 0 | 0 | 0 | 0 | 109.9 | T298 Q302 | T298-C300 PolarHBondContact O-N 3.02Å; C300-Q302 PolarHBondContact O-N 3.18Å | ||
| 301 | I | 50.8 | Low | 48.6 | Very low | 150 Ų | 150 | 143 Ų | 143 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -67.2 | 114.1 | 160 | -57.5 | 174.3 | 0 | 0 | 0 | 105.6 | V303 | I301-V303 HydrophobicContact CB-CG2 4.26Å; I301-V303 HydrophobicContact CG2-CG2 3.67Å; I301-V303 PolarHBondContact O-N 3.13Å | ||
| 302 | Q | 44.3 | Very low | 47.8 | Very low | 181 Ų | 181 | 143 Ų | 143 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -71.8 | 87.2 | 169 | -78.7 | -172.1 | -37.3 | 0 | 0 | 108.4 | C300 E304 | C300-Q302 PolarHBondContact O-N 3.18Å; Q302-E304 PolarHBondContact O-N 3.25Å | ||
| 303 | V | 48.3 | Very low | 47.5 | Very low | 100 Ų | 100 | 138.1 Ų | 138.1 | 61% | 0.606 | 75% | 0.745 | S | S | * | * | trans | -79.5 | 99.7 | 170 | -173.5 | 0 | 0 | 0 | 0 | 107.4 | I301 I305 | I301-V303 HydrophobicContact CB-CG2 4.26Å; I301-V303 HydrophobicContact CG2-CG2 3.67Å; I301-V303 PolarHBondContact O-N 3.13Å; V303-I305 HydrophobicContact CB-CG1 4.39Å; V303-I305 HydrophobicContact CG1-CG1 3.7Å; V303-I305 PolarHBondContact O-N 2.78Å | ||
| 304 | E | 46.3 | Very low | 47.5 | Very low | 185 Ų | 185 | 144.4 Ų | 144.4 | 86% | 0.864 | 75% | 0.751 | S | S | * | * | trans | -67 | 88.6 | 160.8 | -75.5 | -164.1 | 144.6 | 0 | 0 | 108.6 | Q302 T306 | Q302-E304 PolarHBondContact O-N 3.25Å; E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 2.76Å | ||
| 305 | I | 52 | Low | 47.8 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 69% | 0.687 | 76% | 0.756 | S | S | * | * | trans | -67.4 | 97.1 | 169.9 | -56.6 | 176.6 | 0 | 0 | 0 | 106.6 | V303 P307 | V303-I305 HydrophobicContact CB-CG1 4.39Å; V303-I305 HydrophobicContact CG1-CG1 3.7Å; V303-I305 PolarHBondContact O-N 2.78Å; I305-P307 VanDerWaalsContact O-CD 3.26Å; I305-P307 WeakPolarHBondContact O-CD 3.36Å; I305-P307 VanDerWaalsContact O-N 3.07Å | ||
| 306 | T | 53 | Low | 48.1 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | trans | -55.4 | 115.2 | 162.8 | -65 | 0 | 0 | 0 | 0 | 106.5 | E304 T308 | E304-T306 VanDerWaalsContact C-N 3.32Å; E304-T306 PolarHBondContact O-N 2.76Å; T306-T308 PolarHBondContact O-N 2.73Å | ||
| 307 | P | 42.3 | Very low | 48.7 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | trans | -66.2 | 111.5 | -171.9 | 24.5 | -32.9 | 0 | 0 | 0 | 109.3 | I305 S309 | I305-P307 VanDerWaalsContact O-CD 3.26Å; I305-P307 WeakPolarHBondContact O-CD 3.36Å; I305-P307 VanDerWaalsContact O-N 3.07Å; P307-S309 PolarHBondContact O-N 3.3Å | ||
| 308 | T | 50.5 | Low | 49.6 | Very low | 133 Ų | 133 | 136.9 Ų | 136.9 | 82% | 0.816 | 73% | 0.73 | S | S | * | * | trans | -68.6 | 83.8 | 171.5 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | T306 S310 | T306-T308 PolarHBondContact O-N 2.73Å; T308-S310 PolarHBondContact O-N 3.5Å | ||
| 309 | S | 47.6 | Very low | 50.5 | Low | 84 Ų | 84 | 135.7 Ų | 135.7 | 59% | 0.587 | 73% | 0.727 | S | S | * | * | trans | -55.3 | 115.4 | 174.5 | 69.2 | 0 | 0 | 0 | 0 | 107.9 | P307 R311 | P307-S309 PolarHBondContact O-N 3.3Å; S309-R311 PolarHBondContact O-N 3.19Å | ||
| 310 | S | 45.9 | Very low | 51 | Low | 110 Ų | 110 | 130.9 Ų | 130.9 | 77% | 0.769 | 72% | 0.717 | S | S | * | * | trans | -70.3 | 73.7 | -177.9 | 48.9 | 0 | 0 | 0 | 0 | 110.4 | T308 I312 | T308-S310 PolarHBondContact O-N 3.5Å; S310-I312 PolarHBondContact O-N 3.29Å | ||
| 311 | R | 51.3 | Low | 51.5 | Low | 225 Ų | 225 | 129.4 Ų | 129.4 | 85% | 0.849 | 71% | 0.708 | S | S | * | * | trans | -72.9 | 75.5 | 169.6 | -68.8 | -166.6 | -178.3 | -150.5 | 1.9 | 108.7 | S309 S313 | S309-R311 PolarHBondContact O-N 3.19Å; R311-S313 PolarHBondContact O-N 3.49Å | ||
| 312 | I | 49.5 | Very low | 51.8 | Low | 146 Ų | 146 | 127.4 Ų | 127.4 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | trans | -49.8 | 112.2 | 158.6 | -65.3 | 171.9 | 0 | 0 | 0 | 106.1 | S310 R314 | S310-I312 PolarHBondContact O-N 3.29Å; I312-R314 PolarHBondContact O-N 3.25Å | ||
| 313 | S | 52.4 | Low | 52.5 | Low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 70% | 0.695 | S | S | * | * | trans | -65.8 | 103.1 | 179.3 | -179.7 | 0 | 0 | 0 | 0 | 108.8 | R311 N315 A316 | R311-S313 PolarHBondContact O-N 3.49Å; S313-N315 PolarHBondContact O-N 3.43Å; S313-A316 PolarHBondContact O-N 3.39Å | ||
| 314 | R | 52.9 | Low | 52.9 | Low | 242 Ų | 242 | 126.8 Ų | 126.8 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 0.5 | 175.1 | -86.6 | -174.8 | 169.4 | 136.7 | -1.9 | 113.8 | I312 | I312-R314 PolarHBondContact O-N 3.25Š|
| 315 | N | 50.5 | Low | 53.3 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 13.2 | -175.1 | -62.4 | 10.8 | 0 | 0 | 0 | 113.1 | S313 V317 | S313-N315 PolarHBondContact O-N 3.43Å; N315-V317 PolarHBondContact O-N 3.25Å |
| 316 | A | 58 | Low | 53.3 | Low | 75 Ų | 75 | 129.7 Ų | 129.7 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | trans | -69 | 90.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | S313 T318 | S313-A316 PolarHBondContact O-N 3.39Å; A316-T318 PolarHBondContact O-N 3.47Å | ||
| 317 | V | 57.5 | Low | 53.1 | Low | 105 Ų | 105 | 135.8 Ų | 135.8 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | trans | -71.6 | 95 | 176 | -177 | 0 | 0 | 0 | 0 | 109.1 | N315 I322 | N315-V317 PolarHBondContact O-N 3.25Å; V317-I322 HydrophobicContact CG1-CD1 4.47Å; V317-I322 HydrophobicContact CG1-CG1 4.2Å | ||
| 318 | T | 61.5 | Low | 53.6 | Low | 81 Ų | 81 | 139.9 Ų | 139.9 | 50% | 0.497 | 71% | 0.712 | S | S | . | * | trans | -74.8 | 156 | 168.1 | 60.2 | 0 | 0 | 0 | 0 | 110.2 | A316 M320 S321 | A316-T318 PolarHBondContact O-N 3.47Å; T318-M320 PolarHBondContact O-N 3.43Å; T318-S321 VanDerWaalsContact O-CB 3.3Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.01Å | ||
| 319 | S | 56.2 | Low | 53.3 | Low | 102 Ų | 102 | 144.1 Ų | 144.1 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -55.8 | -20.8 | 174.6 | 48.2 | 0 | 0 | 0 | 0 | 113.6 | R323 | S319-R323 PolarHBondContact O-N 2.94Å |
| 320 | M | 54.2 | Low | 52.8 | Low | 152 Ų | 152 | 149.4 Ų | 149.4 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -67.8 | -37.1 | 173.3 | -148.9 | 172.8 | -62.9 | 0 | 0 | 112.9 | T318 I322 R323 G324 | T318-M320 PolarHBondContact O-N 3.43Å; M320-I322 VanDerWaalsContact C-N 3.31Å; M320-I322 PolarHBondContact O-N 2.92Å; M320-R323 PolarHBondContact O-N 2.68Å; M320-G324 PolarHBondContact O-N 3.48Å |
| 321 | S | 57.6 | Low | 52.1 | Low | 60 Ų | 60 | 147.3 Ų | 147.3 | 42% | 0.42 | 73% | 0.725 | S | S | . | * | H | α-helix | trans | -63.3 | -36.8 | 176.6 | -174.3 | 0 | 0 | 0 | 0 | 112 | T318 G324 | T318-S321 VanDerWaalsContact O-CB 3.3Å; T318-S321 WeakPolarHBondContact O-CB 3.42Å; T318-S321 PolarHBondContact O-N 3.01Å; S321-G324 PolarHBondContact O-N 3.08Å |
| 322 | I | 57.1 | Low | 51.1 | Low | 108 Ų | 108 | 145 Ų | 145 | 55% | 0.554 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -68.2 | -34.6 | 177.5 | -61.3 | 173.9 | 0 | 0 | 0 | 111.6 | V317 M320 | V317-I322 HydrophobicContact CG1-CD1 4.47Å; V317-I322 HydrophobicContact CG1-CG1 4.2Å; M320-I322 VanDerWaalsContact C-N 3.31Å; M320-I322 PolarHBondContact O-N 2.92Å |
| 323 | R | 58.6 | Low | 50.3 | Low | 209 Ų | 209 | 145 Ų | 145 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -65 | -41.7 | 176.1 | -90.2 | -171.2 | -179.6 | -163.9 | 0.3 | 112.4 | S319 M320 H325 R326 | S319-R323 PolarHBondContact O-N 2.94Å; M320-R323 PolarHBondContact O-N 2.68Å; R323-H325 VanDerWaalsContact C-N 3.25Å; R323-H325 PolarHBondContact O-N 3.45Å; R323-R326 PolarHBondContact O-N 2.87Å |
| 324 | G | 55.4 | Low | 49.4 | Very low | 59 Ų | 59 | 149.2 Ų | 149.2 | 61% | 0.608 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -60 | -31.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | M320 S321 R326 | M320-G324 PolarHBondContact O-N 3.48Å; S321-G324 PolarHBondContact O-N 3.08Å; G324-R326 PolarHBondContact O-N 3.01Å |
| 325 | H | 55.5 | Low | 48.3 | Very low | 162 Ų | 162 | 145 Ų | 145 | 75% | 0.75 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | -11.1 | -177.4 | -89.6 | -80.5 | 0 | 0 | 0 | 115.4 | R323 | R323-H325 VanDerWaalsContact C-N 3.25Å; R323-H325 PolarHBondContact O-N 3.45Å |
| 326 | R | 52.6 | Low | 47.3 | Very low | 217 Ų | 217 | 144.7 Ų | 144.7 | 82% | 0.819 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -17.4 | -179.9 | -82.5 | -167 | 178.8 | -100.1 | 3.3 | 114.9 | R323 G324 | R323-R326 PolarHBondContact O-N 2.87Å; G324-R326 PolarHBondContact O-N 3.01Å |
| 327 | W | 48.3 | Very low | 45.9 | Very low | 248 Ų | 248 | 145.1 Ų | 145.1 | 94% | 0.939 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -97 | 2.5 | -171.7 | -77.2 | 12 | 0 | 0 | 0 | 115.3 | R329 | W327-R329 PolarHBondContact O-N 2.93Š|
| 328 | K | 52.9 | Low | 44.7 | Very low | 197 Ų | 197 | 148.8 Ų | 148.8 | 86% | 0.857 | 77% | 0.766 | S | S | * | * | trans | -102.9 | 57.9 | 179.6 | -154.9 | 171.6 | -173.6 | 175.4 | 0 | 113.8 | ||||
| 329 | R | 43.1 | Very low | 43.2 | Very low | 222 Ų | 222 | 153.8 Ų | 153.8 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -152.8 | 99.9 | 158.4 | -91.5 | -157.9 | -83.1 | 178.6 | -6.9 | 110.8 | W327 | W327-R329 PolarHBondContact O-N 2.93Š| ||
| 330 | H | 37.4 | Very low | 42 | Very low | 195 Ų | 195 | 157.4 Ų | 157.4 | 90% | 0.903 | 79% | 0.789 | S | S | * | * | trans | 162.4 | 147.7 | 131.2 | -97.2 | -84.5 | 0 | 0 | 0 | 110.3 | ||||
| 331 | G | 31.5 | Very low | 41.3 | Very low | 67 Ų | 67 | 157.5 Ų | 157.5 | 69% | 0.691 | 79% | 0.792 | S | S | * | * | trans | 94.2 | 98.1 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 332 | N | 31.4 | Very low | 39.9 | Very low | 175 Ų | 175 | 163.1 Ų | 163.1 | 94% | 0.936 | 81% | 0.814 | S | S | * | * | trans | -163.5 | 87.1 | 133.7 | -115.6 | 33.8 | 0 | 0 | 0 | 108.6 | ||||
| 333 | T | 31.8 | Very low | 38.9 | Very low | 146 Ų | 146 | 166.5 Ų | 166.5 | 90% | 0.896 | 83% | 0.827 | S | S | * | * | trans | -124.3 | 139.2 | 159.8 | -58.4 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 334 | E | 33.2 | Very low | 37.6 | Very low | 174 Ų | 174 | 163 Ų | 163 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -69.6 | 147.7 | -170.6 | -58.3 | 165.7 | 132 | 0 | 0 | 112.5 | ||||
| 335 | L | 31.2 | Very low | 36.5 | Very low | 152 Ų | 152 | 165 Ų | 165 | 80% | 0.796 | 83% | 0.828 | S | S | * | * | 168 | 139.1 | 113.9 | -87.2 | 168 | 0 | 0 | 0 | 112.7 | |||||
| 336 | T | 28.3 | Very low | 35.3 | Very low | 133 Ų | 133 | 165.7 Ų | 165.7 | 82% | 0.816 | 83% | 0.831 | S | S | * | * | trans | 25.2 | 127.4 | 149.6 | 58 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 337 | G | 28.7 | Very low | 34.3 | Very low | 83 Ų | 83 | 161.5 Ų | 161.5 | 86% | 0.856 | 83% | 0.83 | S | S | * | * | trans | 163.8 | 114 | 158 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 338 | Q | 31.6 | Very low | 33.5 | Very low | 182 Ų | 182 | 156.5 Ų | 156.5 | 85% | 0.85 | 82% | 0.821 | S | S | * | * | trans | -102 | 121.5 | 170.8 | 164.3 | -172.2 | -12.5 | 0 | 0 | 107.4 | ||||
| 339 | E | 31 | Very low | 32.7 | Very low | 186 Ų | 186 | 156.4 Ų | 156.4 | 87% | 0.869 | 82% | 0.824 | S | S | * | * | trans | -177.6 | 175.7 | 148.9 | -106.5 | 160.8 | -161.1 | 0 | 0 | 113.9 | ||||
| 340 | E | 31.5 | Very low | 32.2 | Very low | 178 Ų | 178 | 147.9 Ų | 147.9 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -71.3 | 144.7 | -150.9 | -62.7 | 172.8 | 122.7 | 0 | 0 | 118.7 | ||||
| 341 | L | 38.1 | Very low | 31.7 | Very low | 155 Ų | 155 | 148.9 Ų | 148.9 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | 16.8 | 112.8 | 127.4 | -153.1 | 163.7 | 0 | 0 | 0 | 117.9 | |||||
| 342 | M | 29.5 | Very low | 31.6 | Very low | 177 Ų | 177 | 156.4 Ų | 156.4 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | trans | -139.8 | 125.9 | 148.8 | -107.5 | -176.9 | -170.3 | 0 | 0 | 112 | ||||
| 343 | E | 35.3 | Very low | 31.7 | Very low | 179 Ų | 179 | 153.6 Ų | 153.6 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -85 | 123.9 | 171.9 | 178.3 | 175.6 | -152.7 | 0 | 0 | 108.5 | ||||
| 344 | I | 31.7 | Very low | 31.6 | Very low | 137 Ų | 137 | 158.2 Ų | 158.2 | 70% | 0.703 | 81% | 0.812 | S | S | * | * | trans | -131 | 113.2 | 171.4 | -59.2 | -179.5 | 0 | 0 | 0 | 108.9 | E346 | I344-E346 HydrophobicContact CG2-CG 4.28Š| ||
| 345 | S | 31.8 | Very low | 31.5 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | trans | -98.8 | 121.5 | 170.3 | 56.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 346 | E | 31 | Very low | 31.5 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -126.5 | 97.6 | 164.1 | -68.2 | -176.2 | 168 | 0 | 0 | 106.1 | I344 | I344-E346 HydrophobicContact CG2-CG 4.28Š| ||
| 347 | V | 31.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 151.6 Ų | 151.6 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | 77.5 | 120.5 | 79 | 175.6 | 0 | 0 | 0 | 0 | 112 | |||||
| 348 | D | 32.5 | Very low | 31.7 | Very low | 143 Ų | 143 | 153.5 Ų | 153.5 | 77% | 0.765 | 82% | 0.815 | S | S | * | * | trans | -78.2 | 125.7 | 179.7 | 173.8 | 43 | 0 | 0 | 0 | 111.1 | ||||
| 349 | E | 35.3 | Very low | 31.8 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -115 | 94.6 | 158.2 | -79.9 | -154.6 | 164.3 | 0 | 0 | 109.4 | ||||
| 350 | G | 32.7 | Very low | 31.9 | Very low | 44 Ų | 44 | 147 Ų | 147 | 45% | 0.454 | 80% | 0.804 | S | S | . | * | trans | -83 | 154.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 351 | F | 26.5 | Very low | 32 | Very low | 216 Ų | 216 | 147.5 Ų | 147.5 | 95% | 0.947 | 81% | 0.807 | S | S | * | * | trans | -138.8 | 120.2 | 154.8 | -109.1 | -82.9 | 0 | 0 | 0 | 110.8 | ||||
| 352 | Y | 29 | Very low | 31.5 | Very low | 224 Ų | 224 | 146.4 Ų | 146.4 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | trans | -104.5 | 140.5 | 173.4 | -79.8 | -89.8 | 0 | 0 | 0 | 110.9 | ||||
| 353 | S | 33.2 | Very low | 31.4 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | trans | 176.6 | 120.2 | 136.7 | -81.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 354 | R | 30.3 | Very low | 31.1 | Very low | 244 Ų | 244 | 141.4 Ų | 141.4 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | 85.6 | 137.7 | 55.2 | -176.1 | 176.6 | 175.1 | 118.8 | 1.9 | 112.8 | |||||
| 355 | A | 31.7 | Very low | 31 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 80% | 0.802 | 82% | 0.82 | S | S | * | * | trans | 101.2 | 137 | 171.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 356 | A | 30.5 | Very low | 30.8 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | cis | -143 | 159.5 | 0.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 357 | S | 31.2 | Very low | 30.7 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 87% | 0.867 | 83% | 0.83 | S | S | * | * | trans | -102 | 159.9 | 171.2 | -46.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 358 | S | 29.3 | Very low | 30.7 | Very low | 123 Ų | 123 | 140 Ų | 140 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | -119.5 | 136.5 | 157.5 | 49.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 359 | T | 33.7 | Very low | 30.8 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 83% | 0.834 | 83% | 0.831 | S | S | * | * | trans | -87.7 | 173 | -175.2 | 13 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | S | 35 | Very low | 30.5 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 66% | 0.657 | 82% | 0.824 | S | S | * | * | cis | -172.4 | 150.1 | -4.2 | 36.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 361 | Q | 32.3 | Very low | 30.4 | Very low | 190 Ų | 190 | 142.8 Ų | 142.8 | 89% | 0.888 | 84% | 0.837 | S | S | * | * | trans | 48.9 | 126.5 | 140.3 | -63.8 | -176.4 | -3.5 | 0 | 0 | 124.6 | ||||
| 362 | S | 28.4 | Very low | 30.7 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 92% | 0.916 | 82% | 0.82 | S | S | * | * | -177.8 | 160.4 | 121.2 | 50.9 | 0 | 0 | 0 | 0 | 108 | |||||
| 363 | G | 27.1 | Very low | 30.8 | Very low | 76 Ų | 76 | 132.8 Ų | 132.8 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | cis | -171.3 | 159 | -4.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 364 | L | 29.9 | Very low | 30.7 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -53.5 | 149.9 | -170.3 | -62.8 | 157.5 | 0 | 0 | 0 | 117.6 | ||||
| 365 | S | 28.9 | Very low | 30.8 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 81% | 0.81 | S | S | * | * | -172.4 | 149.6 | 127.1 | 36.9 | 0 | 0 | 0 | 0 | 114 | |||||
| 366 | N | 27.2 | Very low | 30.7 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 90% | 0.898 | 81% | 0.813 | S | S | * | * | trans | -82.6 | 151.2 | -179.2 | -71.2 | -21.2 | 0 | 0 | 0 | 112.8 | ||||
| 367 | S | 29.5 | Very low | 30.7 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | -158 | 139.2 | 122.8 | -164.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 368 | S | 30.9 | Very low | 30.6 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | -98.8 | 146.7 | 179.1 | 53.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 369 | H | 33.9 | Very low | 30.8 | Very low | 191 Ų | 191 | 136.3 Ų | 136.3 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -151.7 | 141 | 137.8 | -105.5 | -71 | 0 | 0 | 0 | 113.6 | ||||
| 370 | N | 29.4 | Very low | 30.5 | Very low | 143 Ų | 143 | 137 Ų | 137 | 77% | 0.765 | 81% | 0.809 | S | S | * | * | trans | -60 | 141.7 | -174.7 | -101 | -26.3 | 0 | 0 | 0 | 114.5 | ||||
| 371 | C | 30.5 | Very low | 30.3 | Very low | 107 Ų | 107 | 141.7 Ų | 141.7 | 72% | 0.723 | 82% | 0.82 | S | S | * | * | 61.7 | 153.2 | 91.6 | -75.3 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 372 | S | 32.2 | Very low | 30.4 | Very low | 83 Ų | 83 | 143.9 Ų | 143.9 | 58% | 0.58 | 82% | 0.82 | S | S | * | * | cis | 178.6 | 171.4 | -30.8 | 53.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 373 | N | 31.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | 75 | 157.5 | 171.3 | -50.2 | -47 | 0 | 0 | 0 | 115.7 | ||||
| 374 | K | 31.7 | Very low | 30.7 | Very low | 198 Ų | 198 | 150.1 Ų | 150.1 | 86% | 0.861 | 82% | 0.816 | S | S | * | * | cis | -150.9 | 164.3 | 19.8 | -152.3 | 165 | -173.2 | 177.6 | 0 | 113.6 | ||||
| 375 | T | 31.3 | Very low | 30.6 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -74 | 158.6 | 179.7 | 45.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 376 | S | 29.4 | Very low | 30.6 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -151.4 | 150.1 | 140.8 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 377 | I | 31.3 | Very low | 30.7 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 83% | 0.831 | 81% | 0.811 | S | S | * | * | trans | -118.5 | 137.2 | -173.8 | -76.8 | 166 | 0 | 0 | 0 | 108.3 | ||||
| 378 | G | 30 | Very low | 31.1 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | -156 | 76.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 379 | K | 31.7 | Very low | 31 | Very low | 189 Ų | 189 | 147.5 Ų | 147.5 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -36 | 136.1 | 178.9 | -66.8 | 167.1 | 175.2 | 173.7 | 0 | 120.2 | ||||
| 380 | N | 28.8 | Very low | 30.7 | Very low | 151 Ų | 151 | 142 Ų | 142 | 81% | 0.807 | 82% | 0.817 | S | S | * | * | 30.1 | 122.3 | 126.4 | -60.8 | -12.7 | 0 | 0 | 0 | 123.2 | |||||
| 381 | Q | 31.3 | Very low | 30.6 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | 169.9 | 132.3 | 117.5 | -95 | 178.3 | -1.5 | 0 | 0 | 108 | |||||
| 382 | R | 32.6 | Very low | 30.6 | Very low | 236 Ų | 236 | 141.7 Ų | 141.7 | 89% | 0.891 | 82% | 0.816 | S | S | * | * | cis | 82.9 | 94.8 | 32.1 | -149.7 | -173.2 | -161.2 | -164.3 | 6.8 | 115.4 | ||||
| 383 | R | 31.9 | Very low | 30.4 | Very low | 235 Ų | 235 | 144.4 Ų | 144.4 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 147.7 | 145.1 | 148.8 | -86.5 | -177.7 | 163.5 | 168.7 | -4.1 | 109.4 | ||||
| 384 | S | 31.1 | Very low | 30.5 | Very low | 103 Ų | 103 | 147.4 Ų | 147.4 | 72% | 0.72 | 83% | 0.825 | S | S | * | * | cis | 133.9 | 123.5 | -10.8 | 63.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 385 | G | 26.8 | Very low | 30.4 | Very low | 85 Ų | 85 | 146 Ų | 146 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | 90.1 | 139.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 386 | G | 29.6 | Very low | 30.3 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | cis | 124.9 | 115.8 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 387 | S | 29.9 | Very low | 30.2 | Very low | 129 Ų | 129 | 146 Ų | 146 | 90% | 0.902 | 82% | 0.817 | S | S | * | * | trans | 179.4 | 170.5 | 146.1 | -157.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 388 | K | 37.2 | Very low | 30.1 | Very low | 189 Ų | 189 | 141.7 Ų | 141.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | trans | -92.3 | 157.7 | -175.4 | -59.5 | 167.8 | 173.4 | 176 | 0 | 113.3 | ||||
| 389 | T | 29.6 | Very low | 30 | Very low | 151 Ų | 151 | 146.7 Ų | 146.7 | 93% | 0.926 | 81% | 0.814 | S | S | * | * | trans | 158.5 | 150.1 | 134.2 | 44.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 390 | G | 25.9 | Very low | 29.9 | Very low | 76 Ų | 76 | 141.5 Ų | 141.5 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | cis | 144.5 | 140.1 | 2.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 391 | G | 28 | Very low | 29.8 | Very low | 69 Ų | 69 | 139.4 Ų | 139.4 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | 106.4 | 123.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 392 | K | 30.2 | Very low | 29.7 | Very low | 174 Ų | 174 | 139.1 Ų | 139.1 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | 83.6 | 140.9 | 86 | -82.2 | -174.8 | 165.8 | -89.2 | 0 | 111.6 | |||||
| 393 | E | 29 | Very low | 29.5 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | cis | -172.5 | 146.8 | -6.3 | -120.5 | 159.5 | -170 | 0 | 0 | 108.3 | ||||
| 394 | K | 33.9 | Very low | 29.3 | Very low | 210 Ų | 210 | 131.2 Ų | 131.2 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -170.6 | 130 | 134.2 | -120.8 | 179.1 | 176.4 | -179.4 | 0 | 114.8 | ||||
| 395 | E | 28.1 | Very low | 29.2 | Very low | 167 Ų | 167 | 135.4 Ų | 135.4 | 78% | 0.78 | 79% | 0.786 | S | S | * | * | trans | -77.2 | 175.9 | 166.6 | -59.7 | 162.2 | 113.6 | 0 | 0 | 110.1 | ||||
| 396 | T | 30.1 | Very low | 29.2 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | -170.3 | 163.6 | 55.5 | 48.5 | 0 | 0 | 0 | 0 | 110 | |||||
| 397 | T | 27.4 | Very low | 29.1 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | cis | -171.3 | 140.4 | -6.7 | 24.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 398 | G | 29 | Very low | 29.2 | Very low | 72 Ų | 72 | 146.3 Ų | 146.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 78.2 | 150.5 | 146 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 399 | E | 28.1 | Very low | 28.7 | Very low | 184 Ų | 184 | 146.6 Ų | 146.6 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | cis | -171 | 162.2 | 1.6 | -100 | -125.1 | 105.3 | 0 | 0 | 108.2 | ||||
| 400 | S | 29.3 | Very low | 28.8 | Very low | 80 Ų | 80 | 145.8 Ų | 145.8 | 56% | 0.559 | 78% | 0.782 | S | S | * | * | cis | -174.2 | 162 | -15.7 | -157 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 401 | C | 26.8 | Very low | 28.9 | Very low | 107 Ų | 107 | 151.5 Ų | 151.5 | 72% | 0.723 | 79% | 0.788 | S | S | * | * | trans | 60.5 | 149 | 165 | -71.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 402 | K | 29.3 | Very low | 28.9 | Very low | 186 Ų | 186 | 159.9 Ų | 159.9 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | cis | -154.5 | 160.4 | 9.6 | -127.5 | 162 | -169.5 | 177.1 | 0 | 113.6 | ||||
| 403 | D | 27.4 | Very low | 29.1 | Very low | 113 Ų | 113 | 156.1 Ų | 156.1 | 60% | 0.604 | 80% | 0.8 | S | S | * | * | trans | -50.8 | 155 | -172.8 | -49.8 | -79.3 | 0 | 0 | 0 | 120.4 | ||||
| 404 | H | 29.3 | Very low | 29 | Very low | 191 Ų | 191 | 158.9 Ų | 158.9 | 88% | 0.884 | 81% | 0.813 | S | S | * | * | -166.6 | 155.7 | 104.2 | -104.1 | 21.5 | 0 | 0 | 0 | 115.3 | |||||
| 405 | F | 28 | Very low | 29 | Very low | 192 Ų | 192 | 153.6 Ų | 153.6 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | trans | -98.3 | 150.5 | -166.8 | -85.9 | -105.7 | 0 | 0 | 0 | 114.9 | ||||
| 406 | A | 28 | Very low | 29.1 | Very low | 100 Ų | 100 | 153.5 Ų | 153.5 | 83% | 0.826 | 80% | 0.802 | S | S | * | * | trans | 153.5 | 152.4 | 131.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 407 | R | 27.4 | Very low | 29 | Very low | 230 Ų | 230 | 154.3 Ų | 154.3 | 87% | 0.868 | 80% | 0.802 | S | S | * | * | cis | -165.2 | 128.2 | -24.8 | 172.1 | 173.4 | 178.2 | 155.1 | -2.6 | 108.1 | ||||
| 408 | K | 31 | Very low | 29.1 | Very low | 193 Ų | 193 | 155.6 Ų | 155.6 | 84% | 0.839 | 80% | 0.803 | S | S | * | * | trans | 10.9 | 129.3 | 162 | -64.4 | 179 | 175.3 | -179.3 | 0 | 119.8 | ||||
| 409 | Q | 28 | Very low | 29.2 | Very low | 194 Ų | 194 | 160.5 Ų | 160.5 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | -156.2 | 147.8 | 108.3 | -120.5 | 175.6 | 1 | 0 | 0 | 113.2 | |||||
| 410 | T | 29.9 | Very low | 29.4 | Very low | 135 Ų | 135 | 159.1 Ų | 159.1 | 83% | 0.828 | 80% | 0.804 | S | S | * | * | trans | -125.4 | 134.9 | 176.3 | -53.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 411 | Q | 28.8 | Very low | 29.6 | Very low | 196 Ų | 196 | 163.7 Ų | 163.7 | 92% | 0.916 | 82% | 0.821 | S | S | * | * | trans | -143.1 | 159.9 | 160.3 | -107.7 | -178.8 | 7.6 | 0 | 0 | 111.9 | ||||
| 412 | R | 27.7 | Very low | 29.9 | Very low | 244 Ų | 244 | 163.7 Ų | 163.7 | 92% | 0.921 | 82% | 0.823 | S | S | * | * | trans | -82.1 | 161.4 | -163.5 | -77.2 | 174.6 | 165.5 | 142.6 | -7.1 | 113.3 | ||||
| 413 | A | 35.6 | Very low | 30.2 | Very low | 96 Ų | 96 | 162.6 Ų | 162.6 | 79% | 0.793 | 83% | 0.825 | S | S | * | * | trans | -63.1 | 144.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 414 | Q | 26.9 | Very low | 30.5 | Very low | 196 Ų | 196 | 166.9 Ų | 166.9 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | trans | -143 | 150.1 | 143.3 | -76.5 | -156.2 | -73.1 | 0 | 0 | 110.1 | ||||
| 415 | S | 33.3 | Very low | 30.7 | Very low | 99 Ų | 99 | 168.7 Ų | 168.7 | 69% | 0.692 | 84% | 0.837 | S | S | * | * | trans | -82 | 157.7 | 171.5 | 45.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 416 | E | 29.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 167.3 Ų | 167.3 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | 167.5 | 156.8 | 120.9 | -93.4 | 174.3 | -157.3 | 0 | 0 | 114 | |||||
| 417 | N | 28.3 | Very low | 30.9 | Very low | 139 Ų | 139 | 168 Ų | 168 | 74% | 0.743 | 83% | 0.832 | S | S | * | * | trans | 59 | 121.9 | 171 | -62.5 | -61.1 | 0 | 0 | 0 | 117.2 | ||||
| 418 | L | 30.6 | Very low | 30.9 | Very low | 155 Ų | 155 | 165.7 Ų | 165.7 | 81% | 0.812 | 84% | 0.835 | S | S | * | * | cis | 61 | 87.2 | 29.6 | -161.8 | 76 | 0 | 0 | 0 | 114.4 | ||||
| 419 | E | 29.6 | Very low | 31 | Very low | 175 Ų | 175 | 162.1 Ų | 162.1 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | -176.1 | 176.7 | 123.4 | -103.4 | -173.3 | -168.4 | 0 | 0 | 111.9 | |||||
| 420 | L | 32.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 160 Ų | 160 | 81% | 0.806 | 83% | 0.831 | S | S | * | * | trans | 80.6 | 50.2 | 173.4 | -51.8 | -179.6 | 0 | 0 | 0 | 119.1 | ||||
| 421 | L | 34.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 158.7 Ų | 158.7 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | trans | -89.2 | 83.6 | 146.8 | -80.3 | 174.5 | 0 | 0 | 0 | 110.5 | L423 | L421-L423 PolarHBondContact O-N 3.42Š| ||
| 422 | S | 33 | Very low | 31.5 | Very low | 108 Ų | 108 | 158.9 Ų | 158.9 | 76% | 0.755 | 83% | 0.828 | S | S | * | * | trans | -90 | 85 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 423 | L | 34.9 | Very low | 31.6 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 85% | 0.848 | 82% | 0.821 | S | S | * | * | trans | -110.1 | 126.2 | 166.7 | -79.8 | 171.1 | 0 | 0 | 0 | 111.4 | L421 R425 | L421-L423 PolarHBondContact O-N 3.42Å; L423-R425 PolarHBondContact O-N 2.84Å | ||
| 424 | K | 33.6 | Very low | 31.5 | Very low | 204 Ų | 204 | 156.1 Ų | 156.1 | 89% | 0.887 | 83% | 0.826 | S | S | * | * | trans | -60.5 | 114.8 | -173.4 | -78.4 | 172.7 | 172.2 | 172.6 | 0 | 111.9 | L426 | K424-L426 PolarHBondContact O-N 3.29Š| ||
| 425 | R | 33.7 | Very low | 31.9 | Very low | 228 Ų | 228 | 152.8 Ų | 152.8 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -74.6 | 108.6 | 165.1 | -179.2 | -179.3 | -67.1 | 174 | 0.2 | 109.2 | L423 T427 | L423-R425 PolarHBondContact O-N 2.84Å; R425-T427 PolarHBondContact O-N 3.22Å | ||
| 426 | L | 30.4 | Very low | 31.7 | Very low | 164 Ų | 164 | 157.9 Ų | 157.9 | 86% | 0.859 | 83% | 0.831 | S | S | * | * | trans | -78.2 | 108 | 169.6 | -72.9 | 171.1 | 0 | 0 | 0 | 109.8 | K424 | K424-L426 PolarHBondContact O-N 3.29Š| ||
| 427 | T | 29.8 | Very low | 31.8 | Very low | 114 Ų | 114 | 155.7 Ų | 155.7 | 70% | 0.699 | 83% | 0.831 | S | S | * | * | trans | -78 | 121.1 | 166.6 | 33.1 | 0 | 0 | 0 | 0 | 110.2 | R425 T429 | R425-T427 PolarHBondContact O-N 3.22Å; T427-T429 PolarHBondContact O-N 3.15Å | ||
| 428 | L | 27.7 | Very low | 31.8 | Very low | 181 Ų | 181 | 154.7 Ų | 154.7 | 95% | 0.948 | 84% | 0.835 | S | S | * | * | trans | -79.8 | 106.9 | 170.5 | -72.9 | 168.2 | 0 | 0 | 0 | 109.9 | ||||
| 429 | T | 32.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 152.8 Ų | 152.8 | 72% | 0.724 | 84% | 0.835 | S | S | * | * | trans | -106.6 | 133.3 | 164 | 50.1 | 0 | 0 | 0 | 0 | 109.7 | T427 S431 | T427-T429 PolarHBondContact O-N 3.15Å; T429-S431 PolarHBondContact O-N 3.39Å | ||
| 430 | T | 32.6 | Very low | 32.3 | Very low | 150 Ų | 150 | 154.1 Ų | 154.1 | 92% | 0.92 | 84% | 0.841 | S | S | * | * | trans | -67.5 | 118.3 | 179.6 | 41.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 431 | S | 30.6 | Very low | 32.2 | Very low | 108 Ų | 108 | 150.1 Ų | 150.1 | 76% | 0.755 | 84% | 0.836 | S | S | * | * | trans | -152.8 | 140.9 | 160.1 | 53 | 0 | 0 | 0 | 0 | 110.6 | T429 | T429-S431 PolarHBondContact O-N 3.39Š| ||
| 432 | Q | 35.6 | Very low | 32.3 | Very low | 199 Ų | 199 | 150.7 Ų | 150.7 | 93% | 0.93 | 84% | 0.84 | S | S | * | * | trans | -75.7 | 136.5 | -174.1 | -60.9 | 166 | -6.2 | 0 | 0 | 111.9 | ||||
| 433 | S | 30 | Very low | 32.3 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 84% | 0.839 | S | S | * | * | trans | -159.3 | 133.4 | 161 | 58.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 434 | L | 33.1 | Very low | 32.2 | Very low | 170 Ų | 170 | 152.2 Ų | 152.2 | 89% | 0.89 | 84% | 0.842 | S | S | * | * | trans | -70.2 | 148.1 | 179 | -70.9 | 82 | 0 | 0 | 0 | 112.1 | ||||
| 435 | P | 34.8 | Very low | 32.2 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -88.3 | 143.7 | 173.7 | 33.7 | -31.8 | 0 | 0 | 0 | 113 | ||||
| 436 | K | 28.4 | Very low | 31.9 | Very low | 205 Ų | 205 | 142.9 Ų | 142.9 | 89% | 0.891 | 84% | 0.837 | S | S | * | * | trans | -109.9 | 156.6 | 159.2 | -101.9 | -175.9 | 176.6 | 179 | 0 | 109.9 | ||||
| 437 | P | 33.2 | Very low | 31.9 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 83% | 0.833 | S | S | * | * | trans | -97.3 | 129.6 | -157.1 | 35 | -33.1 | 0 | 0 | 0 | 114.5 | ||||
| 438 | S | 28.2 | Very low | 31.9 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | 171.6 | 82.3 | 144.9 | 47.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 439 | S | 31.8 | Very low | 31.9 | Very low | 115 Ų | 115 | 137.4 Ų | 137.4 | 80% | 0.804 | 83% | 0.827 | S | S | * | * | trans | -169.4 | 107.9 | 158.9 | 51.4 | 0 | 0 | 0 | 0 | 110.8 | G441 | S439-G441 PolarHBondContact O-N 3.37Å; S439-G441 VanDerWaalsContact O-N 3.14Å | ||
| 440 | H | 37.6 | Very low | 31.8 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 94% | 0.94 | 83% | 0.831 | S | S | * | * | trans | -85.6 | 82.3 | -179.8 | -71.4 | -82 | 0 | 0 | 0 | 111.6 | ||||
| 441 | G | 31.3 | Very low | 31.6 | Very low | 69 Ų | 69 | 138.7 Ų | 138.7 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -93 | 128 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111 | S439 A443 | S439-G441 PolarHBondContact O-N 3.37Å; S439-G441 VanDerWaalsContact O-N 3.14Å; G441-A443 PolarHBondContact O-N 3.23Å; G441-A443 VanDerWaalsContact O-N 3.17Å | ||
| 442 | L | 36.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 99% | 0.99 | 83% | 0.831 | S | S | * | * | trans | -75.6 | 100.5 | -179.5 | -75.9 | 164.6 | 0 | 0 | 0 | 111.6 | ||||
| 443 | A | 32.8 | Very low | 31.7 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 82% | 0.822 | S | S | * | * | trans | -145.8 | 94.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | G441 | G441-A443 PolarHBondContact O-N 3.23Å; G441-A443 VanDerWaalsContact O-N 3.17Å | ||
| 444 | K | 33.5 | Very low | 31.9 | Very low | 210 Ų | 210 | 143.1 Ų | 143.1 | 91% | 0.913 | 83% | 0.827 | S | S | * | * | trans | -138.4 | 99.6 | 162.6 | -76.5 | -168.9 | 178 | -179.3 | 0 | 109.6 | A446 | K444-A446 PolarHBondContact O-N 3.28Å; K444-A446 VanDerWaalsContact O-N 3.07Å | ||
| 445 | T | 31.8 | Very low | 31.9 | Very low | 150 Ų | 150 | 143.9 Ų | 143.9 | 92% | 0.92 | 83% | 0.825 | S | S | * | * | trans | -70.4 | 98.4 | 169.2 | -33.2 | 0 | 0 | 0 | 0 | 108.2 | A447 | T445-A447 PolarHBondContact O-N 3.49Š| ||
| 446 | A | 28.6 | Very low | 31.7 | Very low | 86 Ų | 86 | 146 Ų | 146 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | -71.5 | 127.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | K444 T448 | K444-A446 PolarHBondContact O-N 3.28Å; K444-A446 VanDerWaalsContact O-N 3.07Å; A446-T448 PolarHBondContact O-N 3.21Å | ||
| 447 | A | 29.5 | Very low | 31.8 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 82% | 0.822 | S | S | * | * | trans | -66.9 | 119.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109 | T445 V449 | T445-A447 PolarHBondContact O-N 3.49Å; A447-V449 PolarHBondContact O-N 3.07Å | ||
| 448 | T | 30.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 141.5 Ų | 141.5 | 69% | 0.693 | 82% | 0.815 | S | S | * | * | trans | -74.2 | 98.7 | 177.5 | 49.6 | 0 | 0 | 0 | 0 | 110 | A446 F450 | A446-T448 PolarHBondContact O-N 3.21Å; T448-F450 PolarHBondContact O-N 3.27Å | ||
| 449 | V | 28.6 | Very low | 31.8 | Very low | 138 Ų | 138 | 139.3 Ų | 139.3 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -68.5 | 108.1 | 161 | 178.7 | 0 | 0 | 0 | 0 | 107.2 | A447 S451 | A447-V449 PolarHBondContact O-N 3.07Å; V449-S451 PolarHBondContact O-N 3.2Å | ||
| 450 | F | 29.2 | Very low | 31.7 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 81% | 0.807 | 82% | 0.815 | S | S | * | * | trans | -68.1 | 113.2 | 174 | -82.7 | -90.5 | 0 | 0 | 0 | 109.7 | T448 K452 | T448-F450 PolarHBondContact O-N 3.27Å; F450-K452 PolarHBondContact O-N 3.49Å | ||
| 451 | S | 28.5 | Very low | 31.3 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -70.5 | 128.2 | 173.1 | -160.5 | 0 | 0 | 0 | 0 | 109.8 | V449 S453 | V449-S451 PolarHBondContact O-N 3.2Å; S451-S453 PolarHBondContact O-N 3.07Å | ||
| 452 | K | 35.9 | Very low | 31.2 | Very low | 204 Ų | 204 | 140.3 Ų | 140.3 | 89% | 0.887 | 81% | 0.813 | S | S | * | * | trans | -70.9 | 114.2 | 174.8 | -75.2 | -177.7 | 174.9 | -178.1 | 0 | 109.4 | F450 | F450-K452 PolarHBondContact O-N 3.49Š| ||
| 453 | S | 32.2 | Very low | 31 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -153.4 | 77.4 | 163.6 | -74.5 | 0 | 0 | 0 | 0 | 109.6 | S451 | S451-S453 PolarHBondContact O-N 3.07Š| ||
| 454 | F | 34 | Very low | 30.8 | Very low | 203 Ų | 203 | 141.3 Ų | 141.3 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | -145.2 | 111.8 | 159.2 | -116.3 | -85.6 | 0 | 0 | 0 | 106.1 | ||||
| 455 | E | 33.6 | Very low | 30.7 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | -74 | 128.1 | 178.6 | -73.1 | -174.3 | 140.3 | 0 | 0 | 110.1 | V457 | E455-V457 PolarHBondContact O-N 3.17Š| ||
| 456 | Q | 30 | Very low | 31 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | trans | -84.5 | 91.6 | 179.1 | -179.5 | 179.9 | -9.4 | 0 | 0 | 109 | S458 | Q456-S458 PolarHBondContact O-N 3.14Å; Q456-S458 VanDerWaalsContact O-N 3.15Å | ||
| 457 | V | 31.8 | Very low | 31 | Very low | 141 Ų | 141 | 136.4 Ų | 136.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -72.5 | 107.8 | 169.9 | 178.7 | 0 | 0 | 0 | 0 | 108.8 | E455 | E455-V457 PolarHBondContact O-N 3.17Š| ||
| 458 | S | 30.3 | Very low | 31.1 | Very low | 91 Ų | 91 | 137.6 Ų | 137.6 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | trans | -135.4 | 131.6 | 171.7 | -68.2 | 0 | 0 | 0 | 0 | 108.6 | Q456 | Q456-S458 PolarHBondContact O-N 3.14Å; Q456-S458 VanDerWaalsContact O-N 3.15Å | ||
| 459 | G | 30.6 | Very low | 31 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 102.9 | 100 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 460 | V | 29.1 | Very low | 31.1 | Very low | 145 Ų | 145 | 137 Ų | 137 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -78.7 | 113.4 | 159.6 | 171.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 461 | T | 29.2 | Very low | 31 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -145.6 | 117.8 | 159 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 462 | V | 30.3 | Very low | 31 | Very low | 137 Ų | 137 | 133 Ų | 133 | 83% | 0.83 | 80% | 0.801 | S | S | * | * | trans | -80.7 | 136.5 | 171.5 | 175.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 463 | P | 32.3 | Very low | 30.5 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -127.6 | 161.2 | 144.7 | 31 | -16.6 | 0 | 0 | 0 | 113.5 | ||||
| 464 | H | 27.9 | Very low | 30.4 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 85% | 0.847 | 81% | 0.809 | S | S | * | * | trans | -78.4 | 151 | -167.3 | -146.2 | -86.2 | 0 | 0 | 0 | 113.2 | ||||
| 465 | N | 30.2 | Very low | 30.1 | Very low | 131 Ų | 131 | 121.2 Ų | 121.2 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -70 | 148.6 | 168.2 | -158.8 | 11.8 | 0 | 0 | 0 | 110.2 | S467 | N465-S467 PolarHBondContact OD1-N 3.49Š| ||
| 466 | P | 39.8 | Very low | 30 | Very low | 114 Ų | 114 | 119.3 Ų | 119.3 | 74% | 0.74 | 80% | 0.801 | S | S | * | * | -146.6 | 148.8 | 99.2 | 37.9 | -22 | 0 | 0 | 0 | 117.9 | |||||
| 467 | S | 28.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 118.2 Ų | 118.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | trans | 13.5 | 130.9 | 148.7 | -45.4 | 0 | 0 | 0 | 0 | 123.8 | N465 | N465-S467 PolarHBondContact OD1-N 3.49Š| ||
| 468 | S | 29.8 | Very low | 29.8 | Very low | 120 Ų | 120 | 116.5 Ų | 116.5 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | 114.5 | 144 | 121.4 | 76.7 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 469 | A | 29.4 | Very low | 29.9 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | trans | 80.1 | 106.8 | 154.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 470 | V | 30.4 | Very low | 29.9 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | 32.5 | 125.2 | 127.6 | -171.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 471 | G | 27.1 | Very low | 30 | Very low | 76 Ų | 76 | 127 Ų | 127 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | trans | -175.3 | 124.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 472 | C | 28.1 | Very low | 29.9 | Very low | 135 Ų | 135 | 127.2 Ų | 127.2 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -95 | 148.7 | 179.7 | -38.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 473 | G | 26.6 | Very low | 29.8 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 87% | 0.866 | 81% | 0.808 | S | S | * | * | trans | -175.1 | 144 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 474 | A | 29.5 | Very low | 29.6 | Very low | 113 Ų | 113 | 126 Ų | 126 | 93% | 0.934 | 82% | 0.815 | S | S | * | * | trans | -130.5 | 164.8 | -167.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 475 | G | 27.7 | Very low | 29.6 | Very low | 68 Ų | 68 | 122.4 Ų | 122.4 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | trans | 109.7 | 142.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 476 | T | 30.9 | Very low | 29.5 | Very low | 144 Ų | 144 | 123.3 Ų | 123.3 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | cis | -155.2 | 160.9 | 2.4 | 28.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 477 | D | 28.5 | Very low | 29 | Very low | 148 Ų | 148 | 126 Ų | 126 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | trans | -66 | 153.9 | -177.5 | -62 | -89.7 | 0 | 0 | 0 | 117.1 | ||||
| 478 | A | 29.9 | Very low | 29 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 87% | 0.868 | 83% | 0.829 | S | S | * | * | trans | -156.6 | 91 | 140.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 479 | N | 30.9 | Very low | 29 | Very low | 141 Ų | 141 | 134.4 Ų | 134.4 | 75% | 0.754 | 83% | 0.833 | S | S | * | * | trans | -80.4 | 151.9 | 165.5 | -96.1 | -54.6 | 0 | 0 | 0 | 111.1 | ||||
| 480 | R | 32 | Very low | 29 | Very low | 217 Ų | 217 | 139.5 Ų | 139.5 | 82% | 0.819 | 84% | 0.838 | S | S | * | * | 166.4 | 117.6 | 112.4 | -86.9 | -169.1 | 174.2 | 170.2 | -0.1 | 115.3 | |||||
| 481 | F | 30.6 | Very low | 28.9 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 75% | 0.75 | 84% | 0.838 | S | S | * | * | trans | 43.7 | 132.5 | 138.9 | -53.7 | -64.5 | 0 | 0 | 0 | 123.4 | ||||
| 482 | S | 26.9 | Very low | 28.9 | Very low | 131 Ų | 131 | 144.2 Ų | 144.2 | 92% | 0.916 | 84% | 0.838 | S | S | * | * | -150.5 | 136.7 | 115 | -82.2 | 0 | 0 | 0 | 0 | 111 | |||||
| 483 | A | 28.2 | Very low | 28.9 | Very low | 92 Ų | 92 | 147.8 Ų | 147.8 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | trans | -122 | 149.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 484 | C | 28.7 | Very low | 29 | Very low | 137 Ų | 137 | 149.5 Ų | 149.5 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | trans | -137.2 | 124.5 | 163.2 | -81.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 485 | S | 27.7 | Very low | 28.9 | Very low | 109 Ų | 109 | 149 Ų | 149 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | trans | -79.3 | 149.1 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 486 | L | 28.8 | Very low | 29 | Very low | 150 Ų | 150 | 154.6 Ų | 154.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -152.6 | 105.5 | 146.2 | -93.2 | -173.8 | 0 | 0 | 0 | 112.1 | ||||
| 487 | Q | 29.1 | Very low | 28.9 | Very low | 169 Ų | 169 | 157.7 Ų | 157.7 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | 54 | 114.9 | 137.4 | -68.4 | 173.1 | -29.1 | 0 | 0 | 121 | ||||
| 488 | E | 29.3 | Very low | 28.9 | Very low | 200 Ų | 200 | 157.6 Ų | 157.6 | 94% | 0.935 | 83% | 0.825 | S | S | * | * | trans | -75.5 | 146.2 | 160.2 | -56.6 | 176.2 | 135.9 | 0 | 0 | 111.4 | ||||
| 489 | E | 29.6 | Very low | 28.8 | Very low | 194 Ų | 194 | 158.8 Ų | 158.8 | 91% | 0.907 | 81% | 0.813 | S | S | * | * | trans | -125.1 | 137.7 | 167.5 | -156.6 | 168.5 | -149.3 | 0 | 0 | 110.5 | ||||
| 490 | K | 29 | Very low | 28.7 | Very low | 198 Ų | 198 | 159 Ų | 159 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | -76.5 | 133.3 | -161 | -74.2 | 175.2 | 174.3 | 174.1 | 0 | 114 | ||||
| 491 | L | 28.2 | Very low | 28.8 | Very low | 169 Ų | 169 | 153.9 Ų | 153.9 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | trans | -72.5 | 133 | 155.3 | -83.9 | 122.2 | 0 | 0 | 0 | 110.8 | ||||
| 492 | I | 27.7 | Very low | 28.7 | Very low | 153 Ų | 153 | 154.8 Ų | 154.8 | 79% | 0.785 | 82% | 0.817 | S | S | * | * | trans | -110.7 | 115.8 | 163.1 | -63.1 | 176.2 | 0 | 0 | 0 | 107.1 | ||||
| 493 | Y | 27.5 | Very low | 28.9 | Very low | 210 Ų | 210 | 158.3 Ų | 158.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | trans | -106.3 | 114.4 | 175.8 | -160.4 | -87.5 | 0 | 0 | 0 | 109.1 | ||||
| 494 | V | 28.4 | Very low | 29.1 | Very low | 121 Ų | 121 | 163.1 Ų | 163.1 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | trans | -80.3 | 124.1 | 173.5 | 176.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 495 | S | 27.9 | Very low | 29.2 | Very low | 103 Ų | 103 | 165.3 Ų | 165.3 | 72% | 0.72 | 82% | 0.819 | S | S | * | * | trans | -102.3 | 109 | 178 | -174.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 496 | E | 29.1 | Very low | 29.4 | Very low | 185 Ų | 185 | 165.6 Ų | 165.6 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -93.3 | 120.2 | 164.5 | -86.8 | -171 | 142 | 0 | 0 | 110.4 | ||||
| 497 | R | 29.3 | Very low | 29.9 | Very low | 209 Ų | 209 | 161.9 Ų | 161.9 | 79% | 0.789 | 82% | 0.819 | S | S | * | * | trans | -79.7 | 133.1 | 168.2 | -97.8 | 174.5 | 151.3 | 147.4 | -6.5 | 109.5 | E499 | R497-E499 IonicContact NE-OE1 3.43Å; R497-E499 IonicContact NH2-OE1 2.8Å | ||
| 498 | T | 28.2 | Very low | 30.2 | Very low | 146 Ų | 146 | 163.4 Ų | 163.4 | 90% | 0.896 | 83% | 0.826 | S | S | * | * | trans | -134.4 | 134.1 | 150.7 | -57.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 499 | E | 27.4 | Very low | 30.6 | Very low | 129 Ų | 129 | 163.2 Ų | 163.2 | 60% | 0.603 | 83% | 0.825 | S | S | * | * | trans | -116.2 | 144.4 | -162.6 | -115.6 | -177.2 | -136 | 0 | 0 | 113.4 | R497 | R497-E499 IonicContact NE-OE1 3.43Å; R497-E499 IonicContact NH2-OE1 2.8Å | ||
| 500 | L | 28.2 | Very low | 31.2 | Very low | 147 Ų | 147 | 165.3 Ų | 165.3 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | 72.5 | 163.6 | 153.9 | -61.8 | 172.1 | 0 | 0 | 0 | 119.4 | ||||
| 501 | P | 34.8 | Very low | 31.8 | Very low | 109 Ų | 109 | 161.3 Ų | 161.3 | 71% | 0.708 | 82% | 0.819 | S | S | * | * | cis | -132.1 | 157.3 | -28 | 31.6 | -14.9 | 0 | 0 | 0 | 113.9 | ||||
| 502 | M | 28.8 | Very low | 32.3 | Very low | 190 Ų | 190 | 159.6 Ų | 159.6 | 94% | 0.936 | 82% | 0.817 | S | S | * | * | trans | -146.3 | 144.3 | 155.9 | -102 | -75.4 | 156.5 | 0 | 0 | 111.5 | ||||
| 503 | K | 31.5 | Very low | 32.9 | Very low | 204 Ų | 204 | 157.6 Ų | 157.6 | 89% | 0.887 | 82% | 0.817 | S | S | * | * | trans | -77 | 142 | -170.6 | -64.7 | 171.3 | 177 | 174.7 | 0 | 112 | ||||
| 504 | H | 31.1 | Very low | 33.4 | Very low | 194 Ų | 194 | 155.1 Ų | 155.1 | 90% | 0.898 | 82% | 0.817 | S | S | * | * | trans | -116.3 | 129.8 | 158.9 | -97.7 | -63.4 | 0 | 0 | 0 | 110.8 | ||||
| 505 | Q | 30.8 | Very low | 33.5 | Very low | 183 Ų | 183 | 154.3 Ų | 154.3 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | trans | -100.6 | 137.1 | 163 | -85.7 | -178.3 | -22.5 | 0 | 0 | 110.1 | ||||
| 506 | S | 32.1 | Very low | 34 | Very low | 114 Ų | 114 | 156.2 Ų | 156.2 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | S | Bend | trans | 18.4 | 118.1 | 154.2 | 56.2 | 0 | 0 | 0 | 0 | 120.4 | ||
| 507 | G | 39.5 | Very low | 34.5 | Very low | 73 Ų | 73 | 153.2 Ų | 153.2 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 110.7 | 85.9 | 130 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 508 | Q | 35.4 | Very low | 34.9 | Very low | 200 Ų | 200 | 151 Ų | 151 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -168.4 | 154.3 | 135.9 | -105.3 | 161.3 | 15.4 | 0 | 0 | 111 | ||||
| 509 | Q | 38.1 | Very low | 35.3 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 147.5 | -165.8 | -65.3 | 171.4 | -19.5 | 0 | 0 | 112.9 | ||
| 510 | R | 42.6 | Very low | 36 | Very low | 239 Ų | 239 | 149.6 Ų | 149.6 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 136.8 | 169.1 | -70.1 | -178 | -177.5 | 162 | 1.1 | 110.6 | ||
| 511 | P | 41.7 | Very low | 36.7 | Very low | 114 Ų | 114 | 154 Ų | 154 | 74% | 0.74 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -72 | 159.6 | 166 | 31.4 | -33.8 | 0 | 0 | 0 | 111.4 | ||
| 512 | P | 39 | Very low | 36.8 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 86% | 0.857 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 137 | -169.1 | 28.8 | -35.5 | 0 | 0 | 0 | 113.5 | ||
| 513 | S | 39 | Very low | 37.2 | Very low | 111 Ų | 111 | 154.4 Ų | 154.4 | 78% | 0.776 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 123.5 | 171.9 | 53.9 | 0 | 0 | 0 | 0 | 111 | S515 | S513-S515 PolarHBondContact O-N 3.41Š|
| 514 | I | 38 | Very low | 37.5 | Very low | 159 Ų | 159 | 151.7 Ų | 151.7 | 82% | 0.815 | 84% | 0.843 | S | S | * | * | trans | -76.7 | 115.9 | 170.2 | -63.5 | 173 | 0 | 0 | 0 | 108.6 | I516 | I514-I516 HydrophobicContact CG2-CG1 4.2Š| ||
| 515 | S | 31.4 | Very low | 37.9 | Very low | 104 Ų | 104 | 149.2 Ų | 149.2 | 73% | 0.727 | 84% | 0.84 | S | S | * | * | trans | -94.1 | 113 | 173.3 | 51.5 | 0 | 0 | 0 | 0 | 110.4 | S513 | S513-S515 PolarHBondContact O-N 3.41Š| ||
| 516 | I | 39.3 | Very low | 38.3 | Very low | 143 Ų | 143 | 147.1 Ų | 147.1 | 73% | 0.733 | 84% | 0.839 | S | S | * | * | trans | -96.7 | 110 | 170.6 | -58.9 | 177.2 | 0 | 0 | 0 | 108.1 | I514 | I514-I516 HydrophobicContact CG2-CG1 4.2Š| ||
| 517 | T | 38.2 | Very low | 38.7 | Very low | 122 Ų | 122 | 149.3 Ų | 149.3 | 75% | 0.748 | 84% | 0.842 | S | S | * | * | trans | -86.3 | 115.2 | 168.4 | 46.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 518 | L | 38.4 | Very low | 38.7 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 84% | 0.843 | 85% | 0.848 | S | S | * | * | trans | -88.3 | 106.4 | 167.1 | -73.4 | 166.1 | 0 | 0 | 0 | 108.4 | ||||
| 519 | S | 35.3 | Very low | 38.9 | Very low | 112 Ų | 112 | 151.2 Ų | 151.2 | 78% | 0.783 | 84% | 0.842 | S | S | * | * | trans | -73.5 | 135.8 | 167.5 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 520 | T | 43.8 | Very low | 39 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 82% | 0.822 | 84% | 0.836 | S | S | * | * | trans | -95.9 | 113.8 | 172.2 | 50.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 521 | D | 41.5 | Very low | 38.7 | Very low | 239 Ų | 239 | 139.2 Ų | 139.2 | 100% | 1.278 | 83% | 0.829 | S | S | * | * | trans | -123.2 | 0 | 153.3 | -79.1 | -41 | 0 | 0 | 0 | 107.5 |
Retrieved 521 of 521 residues in 81.6 ms
(Link to these results)