| 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 | 68.8 | Low | 86.1 | Confident | 212 Ų | 212 | 116.5 Ų | 116.5 | 100% | 1.044 | 60% | 0.602 | S | S | * | * | 0 | -41.3 | 0 | -156 | 144.9 | 94.1 | 0 | 0 | 113.6 | K5 | M1-K5 PolarHBondContact O-N 3.46Š| |||
| 2 | Q | 81.3 | Confident | 86.7 | Confident | 173 Ų | 173 | 114.7 Ų | 114.7 | 81% | 0.808 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.1 | -40.8 | -177.3 | -166 | 148.6 | -22.1 | 0 | 0 | 114.6 | L4 K5 S6 | Q2-L4 PolarHBondContact O-N 3.05Å; Q2-K5 PolarHBondContact O-N 3.12Å; Q2-S6 PolarHBondContact O-N 3.33Å |
| 3 | A | 82.2 | Confident | 87.2 | Confident | 82 Ų | 82 | 110.2 Ų | 110.2 | 68% | 0.678 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | K5 S6 L7 | A3-K5 PolarHBondContact O-N 3.09Å; A3-S6 PolarHBondContact O-N 3.19Å; A3-L7 WeakPolarHBondContact O-CB 3.49Å; A3-L7 PolarHBondContact O-N 2.98Å |
| 4 | L | 85.5 | Confident | 87.7 | Confident | 109 Ų | 109 | 102.3 Ų | 102.3 | 57% | 0.571 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -43 | 176 | -177.9 | 65.6 | 0 | 0 | 0 | 112 | Q2 L7 L8 | Q2-L4 PolarHBondContact O-N 3.05Å; L4-L7 PolarHBondContact O-N 3.01Å; L4-L8 HydrophobicContact CG-CD1 4.21Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.31Å |
| 5 | K | 87.6 | Confident | 88.1 | Confident | 131 Ų | 131 | 96.3 Ų | 96.3 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 176.7 | -175.9 | 174.9 | 177.8 | -179.8 | 0 | 111.4 | M1 Q2 A3 L8 F9 | M1-K5 PolarHBondContact O-N 3.46Å; Q2-K5 PolarHBondContact O-N 3.12Å; A3-K5 PolarHBondContact O-N 3.09Å; K5-L8 PolarHBondContact O-N 3Å; K5-F9 HydrophobicContact CD-CE2 4.23Å; K5-F9 HydrophobicContact CG-CD2 3.91Å; K5-F9 HydrophobicContact CG-CE2 3.6Å; K5-F9 WeakPolarHBondContact O-CD2 3.3Å; K5-F9 PolarHBondContact O-N 3Å; K5-F9 VanDerWaalsContact O-N 3.09Å |
| 6 | S | 88.4 | Confident | 88.5 | Confident | 82 Ų | 82 | 90.4 Ų | 90.4 | 57% | 0.573 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 177 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | Q2 A3 F9 Y10 | Q2-S6 PolarHBondContact O-N 3.33Å; A3-S6 PolarHBondContact O-N 3.19Å; S6-F9 PolarHBondContact O-N 3.35Å; S6-Y10 PolarHBondContact O-N 3.47Å |
| 7 | L | 89.2 | Confident | 88.7 | Confident | 102 Ų | 102 | 88.6 Ų | 88.6 | 53% | 0.534 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.1 | -178 | 66.2 | 0 | 0 | 0 | 111.6 | A3 L4 F9 Y10 V11 | A3-L7 WeakPolarHBondContact O-CB 3.49Å; A3-L7 PolarHBondContact O-N 2.98Å; L4-L7 PolarHBondContact O-N 3.01Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.46Å; L7-Y10 PolarHBondContact O-N 2.95Å; L7-V11 HydrophobicContact CD1-CG2 4.28Å; L7-V11 HydrophobicContact CG-CG2 4.39Å; L7-V11 WeakPolarHBondContact O-CB 3.43Å; L7-V11 VanDerWaalsContact O-CG2 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.34Å; L7-V11 PolarHBondContact O-N 3.06Å |
| 8 | L | 89.1 | Confident | 88.7 | Confident | 106 Ų | 106 | 88.5 Ų | 88.5 | 56% | 0.555 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 177.4 | -78 | 165.8 | 0 | 0 | 0 | 112.4 | L4 K5 W12 | L4-L8 HydrophobicContact CG-CD1 4.21Å; L4-L8 WeakPolarHBondContact O-CG 3.48Å; L4-L8 PolarHBondContact O-N 3.31Å; K5-L8 PolarHBondContact O-N 3Å; L8-W12 VanDerWaalsContact O-CB 3.27Å; L8-W12 WeakPolarHBondContact O-CB 3.45Å; L8-W12 PolarHBondContact O-N 3.08Å |
| 9 | F | 90.5 | Very high | 88.7 | Confident | 132 Ų | 132 | 87.8 Ų | 87.8 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 175.6 | -81.7 | -63.1 | 0 | 0 | 0 | 112.2 | K5 S6 L7 W12 D13 | K5-F9 HydrophobicContact CD-CE2 4.23Å; K5-F9 HydrophobicContact CG-CD2 3.91Å; K5-F9 HydrophobicContact CG-CE2 3.6Å; K5-F9 WeakPolarHBondContact O-CD2 3.3Å; K5-F9 PolarHBondContact O-N 3Å; K5-F9 VanDerWaalsContact O-N 3.09Å; S6-F9 PolarHBondContact O-N 3.35Å; L7-F9 VanDerWaalsContact C-N 3.33Å; L7-F9 PolarHBondContact O-N 3.46Å; F9-W12 PolarHBondContact O-N 3.06Å; F9-D13 VanDerWaalsContact O-CB 3.32Å; F9-D13 WeakPolarHBondContact O-CB 3.5Å; F9-D13 PolarHBondContact O-N 2.93Å |
| 10 | Y | 91.9 | Very high | 88.5 | Confident | 100 Ų | 100 | 84.8 Ų | 84.8 | 39% | 0.392 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 177 | 174.8 | -103 | 0 | 0 | 0 | 111.8 | S6 L7 W12 D13 V14 | S6-Y10 PolarHBondContact O-N 3.47Å; L7-Y10 PolarHBondContact O-N 2.95Å; Y10-W12 VanDerWaalsContact C-N 3.34Å; Y10-W12 PolarHBondContact O-N 2.91Å; Y10-D13 PolarHBondContact O-N 3.31Å; Y10-V14 HydrophobicContact CD2-CG2 4.32Å; Y10-V14 HydrophobicContact CE1-CG2 4.14Å; Y10-V14 HydrophobicContact CE2-CG2 3.86Å; Y10-V14 WeakPolarHBondContact O-CG2 3.36Å; Y10-V14 PolarHBondContact O-N 2.93Å |
| 11 | V | 92.8 | Very high | 88.6 | Confident | 52 Ų | 52 | 84.4 Ų | 84.4 | 32% | 0.315 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 178 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | L7 Y15 I31 | L7-V11 HydrophobicContact CD1-CG2 4.28Å; L7-V11 HydrophobicContact CG-CG2 4.39Å; L7-V11 WeakPolarHBondContact O-CB 3.43Å; L7-V11 VanDerWaalsContact O-CG2 3.29Å; L7-V11 WeakPolarHBondContact O-CG2 3.34Å; L7-V11 PolarHBondContact O-N 3.06Å; V11-Y15 WeakPolarHBondContact O-CB 3.46Å; V11-Y15 PolarHBondContact O-N 3.26Å; V11-I31 HydrophobicContact CB-CD1 4.42Å; V11-I31 HydrophobicContact CG1-CD1 3.64Å; V11-I31 HydrophobicContact CG1-CG1 3.97Å |
| 12 | W | 93.7 | Very high | 89.6 | Confident | 95 Ų | 95 | 77.2 Ų | 77.2 | 36% | 0.36 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.2 | -177.7 | -101.7 | 0 | 0 | 0 | 112.8 | L8 F9 Y10 Y15 S16 T84 I403 S406 F407 | L8-W12 VanDerWaalsContact O-CB 3.27Å; L8-W12 WeakPolarHBondContact O-CB 3.45Å; L8-W12 PolarHBondContact O-N 3.08Å; F9-W12 PolarHBondContact O-N 3.06Å; Y10-W12 VanDerWaalsContact C-N 3.34Å; Y10-W12 PolarHBondContact O-N 2.91Å; W12-Y15 PolarHBondContact O-N 3.42Å; W12-S16 WeakPolarHBondContact O-CB 3.43Å; W12-S16 PolarHBondContact O-N 2.98Å; W12-S16 PolarHBondContact O-OG 3.43Å; W12-T84 HydrophobicContact CH2-CG2 3.91Å; W12-T84 HydrophobicContact CZ3-CG2 4.07Å; W12-I403 HydrophobicContact CH2-CG1 4Å; W12-I403 HydrophobicContact CH2-CG2 4.45Å; W12-I403 HydrophobicContact CZ2-CG1 4.26Å; W12-S406 PolarHBondContact NE1-OG 3.4Å; W12-F407 HydrophobicContact CH2-CE2 4.42Å |
| 13 | D | 92.5 | Very high | 89.9 | Confident | 56 Ų | 56 | 73.3 Ų | 73.3 | 30% | 0.299 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.8 | -50.9 | 178.4 | -171 | 76.3 | 0 | 0 | 0 | 111 | F9 Y10 Y15 S16 K17 R409 | F9-D13 VanDerWaalsContact O-CB 3.32Å; F9-D13 WeakPolarHBondContact O-CB 3.5Å; F9-D13 PolarHBondContact O-N 2.93Å; Y10-D13 PolarHBondContact O-N 3.31Å; D13-Y15 VanDerWaalsContact C-N 3.31Å; D13-Y15 PolarHBondContact O-N 3.34Å; D13-S16 PolarHBondContact O-N 3.06Å; D13-S16 PolarHBondContact O-OG 3.31Å; D13-K17 WeakPolarHBondContact O-CB 3.42Å; D13-K17 PolarHBondContact O-N 3Å; D13-K17 VanDerWaalsContact O-N 3.1Å; D13-R409 IonicContact OD1-CZ 2.76Å; D13-R409 IonicContact OD1-NH1 3.02Å; D13-R409 IonicContact OD1-NH2 3.26Å; D13-R409 PolarHBondContact OD1-NH2 3.49Å |
| 14 | V | 94.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | Y10 S16 K17 E24 L28 | Y10-V14 HydrophobicContact CD2-CG2 4.32Å; Y10-V14 HydrophobicContact CE1-CG2 4.14Å; Y10-V14 HydrophobicContact CE2-CG2 3.86Å; Y10-V14 WeakPolarHBondContact O-CG2 3.36Å; Y10-V14 PolarHBondContact O-N 2.93Å; V14-S16 PolarHBondContact O-N 3.02Å; V14-K17 PolarHBondContact O-N 3.48Å; V14-E24 HydrophobicContact CG1-CB 4.17Å; V14-E24 WeakPolarHBondContact CG1-O 3.44Å; V14-E24 HydrophobicContact CG2-CB 4.36Å; V14-E24 HydrophobicContact CG2-CG 4.16Å; V14-L28 HydrophobicContact CG1-CB 4.17Å |
| 15 | Y | 94 | Very high | 90.8 | Very high | 13 Ų | 13 | 69.4 Ų | 69.4 | 5% | 0.051 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.6 | -36.1 | -178 | -177 | -113.4 | 0 | 0 | 0 | 113.5 | V11 W12 D13 L28 I31 R80 T84 F407 | V11-Y15 WeakPolarHBondContact O-CB 3.46Å; V11-Y15 PolarHBondContact O-N 3.26Å; W12-Y15 PolarHBondContact O-N 3.42Å; D13-Y15 VanDerWaalsContact C-N 3.31Å; D13-Y15 PolarHBondContact O-N 3.34Å; Y15-L28 HydrophobicContact CD2-CD1 3.87Å; Y15-I31 HydrophobicContact CD2-CB 4.44Å; Y15-I31 HydrophobicContact CD2-CG2 3.56Å; Y15-I31 HydrophobicContact CE2-CG2 4.03Å; Y15-I31 HydrophobicContact CG-CG2 4.18Å; Y15-R80 HydrophobicContact CE2-CG 4.41Å; Y15-R80 PolarHBondContact O-NH1 3.34Å; Y15-T84 HydrophobicContact CE1-CG2 4.46Å; Y15-T84 VanDerWaalsContact CE1-OG1 3.24Å; Y15-T84 WeakPolarHBondContact CE1-OG1 3.44Å; Y15-T84 PolarHBondContact OH-OG1 3.39Å; Y15-F407 HydrophobicContact CD1-CE2 4.39Å; Y15-F407 AromaticContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CE1-CE2 4.38Å; Y15-F407 AromaticContact CE1-CZ 3.64Å; Y15-F407 HydrophobicContact CE1-CZ 3.64Å |
| 16 | S | 93.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.007 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -86.6 | -13 | -178 | 56.9 | 0 | 0 | 0 | 0 | 114.3 | W12 D13 V14 H77 F407 | W12-S16 WeakPolarHBondContact O-CB 3.43Å; W12-S16 PolarHBondContact O-N 2.98Å; W12-S16 PolarHBondContact O-OG 3.43Å; D13-S16 PolarHBondContact O-N 3.06Å; D13-S16 PolarHBondContact O-OG 3.31Å; V14-S16 PolarHBondContact O-N 3.02Å; S16-H77 PolarHBondContact O-NE2 3.15Å; S16-F407 WeakPolarHBondContact O-CA 3.46Å |
| 17 | K | 92.1 | Very high | 91.3 | Very high | 60 Ų | 60 | 67 Ų | 67 | 26% | 0.261 | 38% | 0.38 | S | S | . | . | trans | -69.7 | 135.4 | -179.8 | -163.1 | 173.2 | 178.9 | -175.5 | 0 | 112.1 | D13 V14 E24 H77 R80 | D13-K17 WeakPolarHBondContact O-CB 3.42Å; D13-K17 PolarHBondContact O-N 3Å; D13-K17 VanDerWaalsContact O-N 3.1Å; V14-K17 PolarHBondContact O-N 3.48Å; K17-E24 VanDerWaalsContact NZ-CD 3.3Å; K17-E24 IonicContact NZ-OE1 2.63Å; K17-E24 PolarHBondContact NZ-OE1 2.87Å; K17-E24 IonicContact NZ-OE2 3.94Å; K17-E24 PolarHBondContact NZ-OE2 2.89Å; K17-H77 PolarHBondContact O-CD2 3.35Å; K17-R80 PolarHBondContact O-NH1 3.27Å; K17-R80 VanDerWaalsContact O-NH1 3.1Å | ||
| 18 | P | 89.8 | Confident | 91.5 | Very high | 87 Ų | 87 | 62.2 Ų | 62.2 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -69.7 | -44.8 | 180 | 25 | -32.1 | 0 | 0 | 0 | 113 | H77 | P18-H77 WeakPolarHBondContact CA-CD2 3.5Š|
| 19 | A | 87.6 | Confident | 91.8 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 62% | 0.62 | 35% | 0.345 | S | S | * | . | S | Bend | trans | -123.5 | 89.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 20 | P | 86 | Confident | 92 | Very high | 28 Ų | 28 | 57.4 Ų | 57.4 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | trans | -71.5 | 148.9 | 171.1 | 31.6 | -35.5 | 0 | 0 | 0 | 110.6 | E24 I25 L28 | P20-E24 WeakPolarHBondContact CA-OE2 3.3Å; P20-E24 HydrophobicContact CB-CB 3.85Å; P20-I25 HydrophobicContact CB-CG1 4.45Å; P20-I25 HydrophobicContact CG-CG1 4.37Å; P20-L28 HydrophobicContact CG-CD2 3.76Å | ||
| 21 | S | 89.7 | Confident | 92.1 | Very high | 76 Ų | 76 | 53.5 Ų | 53.5 | 53% | 0.531 | 33% | 0.327 | S | S | . | . | trans | -132.4 | 144.5 | -177 | 57.8 | 0 | 0 | 0 | 0 | 112.4 | S23 E24 | S21-S23 PolarHBondContact O-N 3.41Å; S21-E24 PolarHBondContact N-OE2 3.36Å; S21-E24 VanDerWaalsContact N-OE2 3.07Å; S21-E24 WeakPolarHBondContact O-CB 3.42Å; S21-E24 PolarHBondContact O-N 2.91Å | ||
| 22 | G | 90.9 | Very high | 92.2 | Very high | 61 Ų | 61 | 51 Ų | 51 | 63% | 0.629 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | -129.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E24 I25 | G22-E24 PolarHBondContact O-N 3.01Å; G22-I25 PolarHBondContact O-N 3.39Å |
| 23 | S | 87.4 | Confident | 92.3 | Very high | 92 Ų | 92 | 48.3 Ų | 48.3 | 64% | 0.643 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -63.3 | -22 | -179.2 | 54.4 | 0 | 0 | 0 | 0 | 113.8 | S21 I25 L26 S27 | S21-S23 PolarHBondContact O-N 3.41Å; S23-I25 PolarHBondContact O-N 3.44Å; S23-L26 PolarHBondContact O-N 3.17Å; S23-S27 PolarHBondContact O-N 3.29Å |
| 24 | E | 92.7 | Very high | 92.4 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.5 | -28.2 | 176.3 | -61.8 | 177.9 | 162.6 | 0 | 0 | 112.4 | V14 K17 P20 S21 G22 L26 S27 L28 | V14-E24 HydrophobicContact CG1-CB 4.17Å; V14-E24 WeakPolarHBondContact CG1-O 3.44Å; V14-E24 HydrophobicContact CG2-CB 4.36Å; V14-E24 HydrophobicContact CG2-CG 4.16Å; K17-E24 VanDerWaalsContact NZ-CD 3.3Å; K17-E24 IonicContact NZ-OE1 2.63Å; K17-E24 PolarHBondContact NZ-OE1 2.87Å; K17-E24 IonicContact NZ-OE2 3.94Å; K17-E24 PolarHBondContact NZ-OE2 2.89Å; P20-E24 WeakPolarHBondContact CA-OE2 3.3Å; P20-E24 HydrophobicContact CB-CB 3.85Å; S21-E24 PolarHBondContact N-OE2 3.36Å; S21-E24 VanDerWaalsContact N-OE2 3.07Å; S21-E24 WeakPolarHBondContact O-CB 3.42Å; S21-E24 PolarHBondContact O-N 2.91Å; G22-E24 PolarHBondContact O-N 3.01Å; E24-L26 VanDerWaalsContact C-N 3.34Å; E24-S27 PolarHBondContact O-N 3.39Å; E24-L28 WeakPolarHBondContact O-CB 3.46Å; E24-L28 PolarHBondContact O-N 3.04Å |
| 25 | I | 93.7 | Very high | 92.3 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 39% | 0.385 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -42.1 | 178.6 | -62.1 | 174 | 0 | 0 | 0 | 110.3 | P20 G22 S23 L28 L29 F74 | P20-I25 HydrophobicContact CB-CG1 4.45Å; P20-I25 HydrophobicContact CG-CG1 4.37Å; G22-I25 PolarHBondContact O-N 3.39Å; S23-I25 PolarHBondContact O-N 3.44Å; I25-L28 PolarHBondContact O-N 3.5Å; I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.03Å; I25-F74 HydrophobicContact CG2-CE2 4.26Å; I25-F74 HydrophobicContact CG2-CZ 4Å |
| 26 | L | 92.7 | Very high | 92.4 | Very high | 127 Ų | 127 | 54.2 Ų | 54.2 | 67% | 0.665 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -66.2 | -41.1 | 178.1 | -175.1 | 65.2 | 0 | 0 | 0 | 110.9 | S23 E24 L29 S30 | S23-L26 PolarHBondContact O-N 3.17Å; E24-L26 VanDerWaalsContact C-N 3.34Å; L26-L29 PolarHBondContact O-N 3.03Å; L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.18Å |
| 27 | S | 92.8 | Very high | 92.5 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 25% | 0.252 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 174 | -59.9 | 0 | 0 | 0 | 0 | 111.8 | S23 E24 L29 S30 I31 | S23-S27 PolarHBondContact O-N 3.29Å; E24-S27 PolarHBondContact O-N 3.39Å; S27-L29 PolarHBondContact O-N 3.45Å; S27-S30 WeakPolarHBondContact O-CB 3.34Å; S27-S30 PolarHBondContact O-N 2.99Å; S27-I31 WeakPolarHBondContact O-CD1 3.39Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 3.08Å |
| 28 | L | 94.8 | Very high | 92.7 | Very high | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.01 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.9 | -45.4 | 175.5 | 179.2 | 63.8 | 0 | 0 | 0 | 111.5 | V14 Y15 P20 E24 I25 S30 I31 C32 F74 | V14-L28 HydrophobicContact CG1-CB 4.17Å; Y15-L28 HydrophobicContact CD2-CD1 3.87Å; P20-L28 HydrophobicContact CG-CD2 3.76Å; E24-L28 WeakPolarHBondContact O-CB 3.46Å; E24-L28 PolarHBondContact O-N 3.04Å; I25-L28 PolarHBondContact O-N 3.5Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-S30 PolarHBondContact O-N 2.94Å; L28-I31 PolarHBondContact O-N 3.01Å; L28-C32 WeakPolarHBondContact O-CB 3.4Å; L28-C32 PolarHBondContact O-N 3.04Å; L28-C32 PolarHBondContact O-SG 2.75Å; L28-F74 HydrophobicContact CD2-CD2 4.18Å; L28-F74 HydrophobicContact CD2-CE2 4.3Å; L28-F74 HydrophobicContact CG-CD2 4.15Å; L28-F74 HydrophobicContact CG-CE2 4.39Å |
| 29 | L | 94.9 | Very high | 92.8 | Very high | 66 Ų | 66 | 60.5 Ų | 60.5 | 35% | 0.346 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 177.6 | -178.7 | 63.1 | 0 | 0 | 0 | 111.4 | I25 L26 S27 S33 L70 F74 | I25-L29 WeakPolarHBondContact O-CB 3.49Å; I25-L29 PolarHBondContact O-N 3.03Å; L26-L29 PolarHBondContact O-N 3.03Å; S27-L29 PolarHBondContact O-N 3.45Å; L29-S33 VanDerWaalsContact O-CB 3.26Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 2.92Å; L29-S33 PolarHBondContact O-OG 3.47Å; L29-L70 HydrophobicContact CD1-CD1 4.29Å; L29-F74 HydrophobicContact CB-CD2 4.34Å; L29-F74 HydrophobicContact CB-CE2 3.97Å; L29-F74 HydrophobicContact CD1-CD2 4.13Å; L29-F74 HydrophobicContact CD1-CE2 4.22Å |
| 30 | S | 94.8 | Very high | 93.2 | Very high | 70 Ų | 70 | 57 Ų | 57 | 49% | 0.49 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61 | -46.9 | 175.2 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | L26 S27 L28 S33 T34 | L26-S30 WeakPolarHBondContact O-CB 3.43Å; L26-S30 PolarHBondContact O-N 3.18Å; S27-S30 WeakPolarHBondContact O-CB 3.34Å; S27-S30 PolarHBondContact O-N 2.99Å; L28-S30 VanDerWaalsContact C-N 3.31Å; L28-S30 PolarHBondContact O-N 2.94Å; S30-S33 PolarHBondContact O-N 3.41Å; S30-T34 WeakPolarHBondContact O-CG2 3.4Å; S30-T34 PolarHBondContact O-N 3.45Å; S30-T34 PolarHBondContact O-OG1 3.21Å |
| 31 | I | 93.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 9% | 0.092 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62.2 | -49.4 | 178.6 | -63.9 | 158 | 0 | 0 | 0 | 110.8 | V11 Y15 S27 L28 S33 T34 F35 | V11-I31 HydrophobicContact CB-CD1 4.42Å; V11-I31 HydrophobicContact CG1-CD1 3.64Å; V11-I31 HydrophobicContact CG1-CG1 3.97Å; Y15-I31 HydrophobicContact CD2-CB 4.44Å; Y15-I31 HydrophobicContact CD2-CG2 3.56Å; Y15-I31 HydrophobicContact CE2-CG2 4.03Å; Y15-I31 HydrophobicContact CG-CG2 4.18Å; S27-I31 WeakPolarHBondContact O-CD1 3.39Å; S27-I31 WeakPolarHBondContact O-CG1 3.25Å; S27-I31 PolarHBondContact O-N 3.08Å; L28-I31 PolarHBondContact O-N 3.01Å; I31-S33 VanDerWaalsContact C-N 3.3Å; I31-S33 PolarHBondContact O-N 2.93Å; I31-T34 PolarHBondContact O-N 3.17Å; I31-T34 PolarHBondContact O-OG1 3.24Å; I31-F35 HydrophobicContact CG2-CD2 3.74Å; I31-F35 HydrophobicContact CG2-CE2 3.63Å; I31-F35 VanDerWaalsContact O-CD2 3.26Å; I31-F35 WeakPolarHBondContact O-CD2 3.37Å; I31-F35 PolarHBondContact O-N 3.19Å; I31-F35 VanDerWaalsContact O-N 3.08Å |
| 32 | C | 95.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.9 | -37.2 | 178.2 | -69.6 | 0 | 0 | 0 | 0 | 112.1 | L28 F35 A36 L70 | L28-C32 WeakPolarHBondContact O-CB 3.4Å; L28-C32 PolarHBondContact O-N 3.04Å; L28-C32 PolarHBondContact O-SG 2.75Å; C32-F35 PolarHBondContact O-N 3.35Å; C32-A36 VanDerWaalsContact O-CB 3.3Å; C32-A36 WeakPolarHBondContact O-CB 3.38Å; C32-A36 PolarHBondContact O-N 3.24Å; C32-L70 HydrophobicContact CB-CD1 3.82Å |
| 33 | S | 95.8 | Very high | 93.8 | Very high | 38 Ų | 38 | 57.3 Ų | 57.3 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -44.4 | 177.1 | -59.6 | 0 | 0 | 0 | 0 | 112 | L29 S30 I31 F35 A36 V37 | L29-S33 VanDerWaalsContact O-CB 3.26Å; L29-S33 WeakPolarHBondContact O-CB 3.48Å; L29-S33 PolarHBondContact O-N 2.92Å; L29-S33 PolarHBondContact O-OG 3.47Å; S30-S33 PolarHBondContact O-N 3.41Å; I31-S33 VanDerWaalsContact C-N 3.3Å; I31-S33 PolarHBondContact O-N 2.93Å; S33-F35 PolarHBondContact O-N 2.83Å; S33-A36 PolarHBondContact O-N 3.19Å; S33-V37 WeakPolarHBondContact O-CG2 3.36Å; S33-V37 PolarHBondContact O-N 3.39Å |
| 34 | T | 94.7 | Very high | 94.1 | Very high | 84 Ų | 84 | 55.4 Ų | 55.4 | 52% | 0.515 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 111.8 | S30 I31 F38 | S30-T34 WeakPolarHBondContact O-CG2 3.4Å; S30-T34 PolarHBondContact O-N 3.45Å; S30-T34 PolarHBondContact O-OG1 3.21Å; I31-T34 PolarHBondContact O-N 3.17Å; I31-T34 PolarHBondContact O-OG1 3.24Å; T34-F38 VanDerWaalsContact O-CB 3.25Å; T34-F38 WeakPolarHBondContact O-CB 3.46Å; T34-F38 PolarHBondContact O-N 3.28Å |
| 35 | F | 92.1 | Very high | 94 | Very high | 105 Ų | 105 | 59.2 Ų | 59.2 | 46% | 0.461 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 173.8 | -82.6 | -62.8 | 0 | 0 | 0 | 112.7 | I31 C32 S33 F38 T39 | I31-F35 HydrophobicContact CG2-CD2 3.74Å; I31-F35 HydrophobicContact CG2-CE2 3.63Å; I31-F35 VanDerWaalsContact O-CD2 3.26Å; I31-F35 WeakPolarHBondContact O-CD2 3.37Å; I31-F35 PolarHBondContact O-N 3.19Å; I31-F35 VanDerWaalsContact O-N 3.08Å; C32-F35 PolarHBondContact O-N 3.35Å; S33-F35 PolarHBondContact O-N 2.83Å; F35-F38 PolarHBondContact O-N 2.88Å; F35-T39 WeakPolarHBondContact O-CB 3.27Å; F35-T39 WeakPolarHBondContact O-CG2 3.44Å; F35-T39 PolarHBondContact O-N 3.24Å; F35-T39 PolarHBondContact O-OG1 3.39Å |
| 36 | A | 96 | Very high | 93.7 | Very high | 4 Ų | 4 | 59 Ų | 59 | 3% | 0.033 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -63.5 | -46.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | C32 S33 T39 G40 S66 M69 L70 | C32-A36 VanDerWaalsContact O-CB 3.3Å; C32-A36 WeakPolarHBondContact O-CB 3.38Å; C32-A36 PolarHBondContact O-N 3.24Å; S33-A36 PolarHBondContact O-N 3.19Å; A36-T39 PolarHBondContact O-OG1 2.74Å; A36-G40 PolarHBondContact O-N 3.34Å; A36-S66 WeakPolarHBondContact CB-O 3.4Å; A36-M69 HydrophobicContact CB-CB 4.37Å; A36-L70 HydrophobicContact CB-CB 3.89Å |
| 37 | V | 96.1 | Very high | 93.5 | Very high | 108 Ų | 108 | 53.8 Ų | 53.8 | 66% | 0.655 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.9 | -45.1 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | S33 G40 G41 | S33-V37 WeakPolarHBondContact O-CG2 3.36Å; S33-V37 PolarHBondContact O-N 3.39Å; V37-G40 PolarHBondContact O-N 3.35Å; V37-G41 PolarHBondContact O-N 2.91Å |
| 38 | F | 94.8 | Very high | 93.4 | Very high | 137 Ų | 137 | 53.5 Ų | 53.5 | 60% | 0.601 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -63 | -49.9 | -179.7 | -179.1 | -103.1 | 0 | 0 | 0 | 111.9 | T34 F35 G40 G41 L42 | T34-F38 VanDerWaalsContact O-CB 3.25Å; T34-F38 WeakPolarHBondContact O-CB 3.46Å; T34-F38 PolarHBondContact O-N 3.28Å; F35-F38 PolarHBondContact O-N 2.88Å; F38-G40 VanDerWaalsContact C-N 3.35Å; F38-G40 PolarHBondContact O-N 3.43Å; F38-G41 PolarHBondContact O-N 3.45Å; F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 HydrophobicContact CE1-CD1 3.47Å; F38-L42 VanDerWaalsContact CE1-CD1 3.47Å; F38-L42 HydrophobicContact CE1-CG 4.37Å; F38-L42 HydrophobicContact CZ-CD1 3.84Å; F38-L42 HydrophobicContact CZ-CG 4.42Å; F38-L42 WeakPolarHBondContact O-CG 3.43Å; F38-L42 PolarHBondContact O-N 3.25Å |
| 39 | T | 92.8 | Very high | 92.9 | Very high | 34 Ų | 34 | 59.4 Ų | 59.4 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.2 | -34.8 | 179.5 | 53.9 | 0 | 0 | 0 | 0 | 112.2 | F35 A36 L42 L43 | F35-T39 WeakPolarHBondContact O-CB 3.27Å; F35-T39 WeakPolarHBondContact O-CG2 3.44Å; F35-T39 PolarHBondContact O-N 3.24Å; F35-T39 PolarHBondContact O-OG1 3.39Å; A36-T39 PolarHBondContact O-OG1 2.74Å; T39-L42 PolarHBondContact O-N 3.06Å; T39-L43 WeakPolarHBondContact O-CB 3.44Å; T39-L43 PolarHBondContact O-N 3.07Å |
| 40 | G | 95.4 | Very high | 92.1 | Very high | 3 Ų | 3 | 60.2 Ų | 60.2 | 3% | 0.031 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | A36 V37 F38 L42 L43 H44 S66 | A36-G40 PolarHBondContact O-N 3.34Å; V37-G40 PolarHBondContact O-N 3.35Å; F38-G40 VanDerWaalsContact C-N 3.35Å; F38-G40 PolarHBondContact O-N 3.43Å; G40-L42 VanDerWaalsContact C-N 3.34Å; G40-L42 PolarHBondContact O-N 3.45Å; G40-L43 PolarHBondContact O-N 3.34Å; G40-H44 PolarHBondContact O-N 2.93Å; G40-S66 VanDerWaalsContact CA-OG 3.28Å; G40-S66 WeakPolarHBondContact CA-OG 3.48Å |
| 41 | G | 94.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 57.4 Ų | 57.4 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V37 F38 H44 H45 | V37-G41 PolarHBondContact O-N 2.91Å; F38-G41 PolarHBondContact O-N 3.45Å; G41-H44 PolarHBondContact O-N 3.47Å; G41-H45 WeakPolarHBondContact O-CB 3.41Å; G41-H45 PolarHBondContact O-N 3.25Å |
| 42 | L | 92.1 | Very high | 90.9 | Very high | 96 Ų | 96 | 63.8 Ų | 63.8 | 50% | 0.503 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 173.3 | -72.1 | 175.5 | 0 | 0 | 0 | 111.9 | F38 T39 G40 H45 W46 | F38-L42 HydrophobicContact CD1-CD1 3.96Å; F38-L42 HydrophobicContact CE1-CD1 3.47Å; F38-L42 VanDerWaalsContact CE1-CD1 3.47Å; F38-L42 HydrophobicContact CE1-CG 4.37Å; F38-L42 HydrophobicContact CZ-CD1 3.84Å; F38-L42 HydrophobicContact CZ-CG 4.42Å; F38-L42 WeakPolarHBondContact O-CG 3.43Å; F38-L42 PolarHBondContact O-N 3.25Å; T39-L42 PolarHBondContact O-N 3.06Å; G40-L42 VanDerWaalsContact C-N 3.34Å; G40-L42 PolarHBondContact O-N 3.45Å; L42-H45 PolarHBondContact O-N 2.89Å; L42-W46 VanDerWaalsContact O-CB 3.26Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 2.97Å |
| 43 | L | 91.9 | Very high | 90.4 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.173 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.2 | -179.6 | 61.4 | 0 | 0 | 0 | 111.6 | T39 G40 W46 L47 Y65 | T39-L43 WeakPolarHBondContact O-CB 3.44Å; T39-L43 PolarHBondContact O-N 3.07Å; G40-L43 PolarHBondContact O-N 3.34Å; L43-W46 HydrophobicContact CD1-CE3 3.84Å; L43-W46 HydrophobicContact CD1-CZ3 4.26Å; L43-W46 PolarHBondContact O-N 2.91Å; L43-L47 HydrophobicContact CD1-CD1 4.03Å; L43-L47 HydrophobicContact CD1-CG 4.11Å; L43-L47 HydrophobicContact CD2-CD1 4.5Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CB 3.5Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.38Å; L43-Y65 HydrophobicContact CB-CD1 4.38Å; L43-Y65 HydrophobicContact CD2-CD1 3.54Å; L43-Y65 HydrophobicContact CD2-CD2 3.87Å; L43-Y65 HydrophobicContact CD2-CE1 4.2Å; L43-Y65 HydrophobicContact CD2-CE2 4.48Å; L43-Y65 HydrophobicContact CD2-CG 3.34Å |
| 44 | H | 94.1 | Very high | 90.1 | Very high | 52 Ų | 52 | 71.4 Ų | 71.4 | 24% | 0.241 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 176.4 | 176.9 | 65.7 | 0 | 0 | 0 | 111.8 | G40 G41 W46 L47 S48 S58 V59 A62 | G40-H44 PolarHBondContact O-N 2.93Å; G41-H44 PolarHBondContact O-N 3.47Å; H44-W46 VanDerWaalsContact C-N 3.27Å; H44-W46 PolarHBondContact O-N 3.19Å; H44-L47 PolarHBondContact O-N 3.02Å; H44-S48 VanDerWaalsContact O-CB 3.3Å; H44-S48 WeakPolarHBondContact O-CB 3.39Å; H44-S48 PolarHBondContact O-N 3.29Å; H44-S58 PolarHBondContact CE1-OG 2.97Å; H44-S58 PolarHBondContact ND1-OG 3.5Å; H44-S58 PolarHBondContact O-OG 3.08Å; H44-V59 VanDerWaalsContact CE1-CG2 3.46Å; H44-V59 WeakPolarHBondContact CE1-CG2 3.26Å; H44-A62 HydrophobicContact CB-CB 3.66Å |
| 45 | H | 91.9 | Very high | 90 | Very high | 112 Ų | 112 | 73 Ų | 73 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 177.1 | -177.1 | 81.9 | 0 | 0 | 0 | 110.7 | G41 L42 Q49 | G41-H45 WeakPolarHBondContact O-CB 3.41Å; G41-H45 PolarHBondContact O-N 3.25Å; L42-H45 PolarHBondContact O-N 2.89Å; H45-Q49 VanDerWaalsContact O-CB 3.22Å; H45-Q49 WeakPolarHBondContact O-CB 3.35Å; H45-Q49 PolarHBondContact O-N 2.82Å |
| 46 | W | 87.3 | Confident | 90.1 | Very high | 72 Ų | 72 | 72 Ų | 72 | 27% | 0.273 | 37% | 0.369 | S | S | . | . | I | π-helix | trans | -65 | -46.3 | 178.8 | -175.2 | 49.1 | 0 | 0 | 0 | 112.5 | L42 L43 H44 T50 L51 A217 | L42-W46 VanDerWaalsContact O-CB 3.26Å; L42-W46 WeakPolarHBondContact O-CB 3.48Å; L42-W46 PolarHBondContact O-N 2.97Å; L43-W46 HydrophobicContact CD1-CE3 3.84Å; L43-W46 HydrophobicContact CD1-CZ3 4.26Å; L43-W46 PolarHBondContact O-N 2.91Å; H44-W46 VanDerWaalsContact C-N 3.27Å; H44-W46 PolarHBondContact O-N 3.19Å; W46-T50 VanDerWaalsContact CD1-CB 3.48Å; W46-T50 WeakPolarHBondContact O-CA 3.41Å; W46-T50 VanDerWaalsContact O-CB 3.23Å; W46-T50 WeakPolarHBondContact O-CB 3.46Å; W46-T50 PolarHBondContact O-N 2.87Å; W46-T50 VanDerWaalsContact O-N 3.09Å; W46-L51 HydrophobicContact CD2-CD1 4.28Å; W46-L51 HydrophobicContact CE3-CD1 4.46Å; W46-L51 HydrophobicContact CH2-CD1 3.9Å; W46-L51 HydrophobicContact CZ2-CD1 3.67Å; W46-L51 HydrophobicContact CZ2-CD2 4.15Å; W46-L51 HydrophobicContact CZ2-CG 4.12Å; W46-L51 HydrophobicContact CZ3-CD1 4.31Å; W46-L51 PolarHBondContact O-N 2.66Å; W46-A217 HydrophobicContact CH2-CB 3.41Å; W46-A217 VanDerWaalsContact CH2-CB 3.41Å; W46-A217 HydrophobicContact CZ2-CB 3.12Å |
| 47 | L | 88.6 | Confident | 90 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 8% | 0.084 | 38% | 0.381 | C | S | . | . | I | π-helix | trans | -62.5 | -44.7 | 177.1 | -75.9 | 169 | 0 | 0 | 0 | 112.4 | L43 H44 L51 K52 Y53 S58 T61 | L43-L47 HydrophobicContact CD1-CD1 4.03Å; L43-L47 HydrophobicContact CD1-CG 4.11Å; L43-L47 HydrophobicContact CD2-CD1 4.5Å; L43-L47 HydrophobicContact CG-CD1 3.85Å; L43-L47 HydrophobicContact CG-CG 4.37Å; L43-L47 WeakPolarHBondContact O-CB 3.5Å; L43-L47 WeakPolarHBondContact O-CG 3.45Å; L43-L47 PolarHBondContact O-N 3.38Å; H44-L47 PolarHBondContact O-N 3.02Å; L47-L51 HydrophobicContact CD2-CD1 4.05Å; L47-L51 CarbonylContact O-C 3.58Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L47-K52 PolarHBondContact O-N 2.89Å; L47-K52 VanDerWaalsContact O-N 3.13Å; L47-Y53 HydrophobicContact CD2-CD2 4Å; L47-Y53 HydrophobicContact CD2-CE2 4.25Å; L47-Y53 HydrophobicContact CD2-CG 4.45Å; L47-Y53 PolarHBondContact O-N 3.36Å; L47-S58 VanDerWaalsContact CB-OG 3.28Å; L47-S58 WeakPolarHBondContact CB-OG 3.43Å; L47-T61 HydrophobicContact CD1-CG2 3.78Å |
| 48 | S | 89.9 | Confident | 89.9 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | I | π-helix | trans | -75.3 | -56.3 | -177.9 | 175.3 | 0 | 0 | 0 | 0 | 112.1 | H44 K52 | H44-S48 VanDerWaalsContact O-CB 3.3Å; H44-S48 WeakPolarHBondContact O-CB 3.39Å; H44-S48 PolarHBondContact O-N 3.29Å; S48-K52 VanDerWaalsContact O-CA 3.28Å; S48-K52 WeakPolarHBondContact O-CA 3.49Å; S48-K52 PolarHBondContact O-N 2.87Å |
| 49 | Q | 84.6 | Confident | 89.9 | Confident | 126 Ų | 126 | 64.2 Ų | 64.2 | 59% | 0.589 | 34% | 0.336 | S | S | * | . | I | π-helix | trans | -83.6 | -40.9 | -168.9 | -61.8 | -67.3 | -21.5 | 0 | 0 | 112.5 | H45 | H45-Q49 VanDerWaalsContact O-CB 3.22Å; H45-Q49 WeakPolarHBondContact O-CB 3.35Å; H45-Q49 PolarHBondContact O-N 2.82Å |
| 50 | T | 78.5 | Confident | 90 | Very high | 82 Ų | 82 | 68.7 Ų | 68.7 | 50% | 0.503 | 36% | 0.355 | S | S | . | . | I | π-helix | trans | -89.5 | -47.7 | -175.9 | -51.7 | 0 | 0 | 0 | 0 | 111.2 | W46 | W46-T50 VanDerWaalsContact CD1-CB 3.48Å; W46-T50 WeakPolarHBondContact O-CA 3.41Å; W46-T50 VanDerWaalsContact O-CB 3.23Å; W46-T50 WeakPolarHBondContact O-CB 3.46Å; W46-T50 PolarHBondContact O-N 2.87Å; W46-T50 VanDerWaalsContact O-N 3.09Å |
| 51 | L | 78.1 | Confident | 89.9 | Confident | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -9.4 | -175.5 | -59.5 | -175.5 | 0 | 0 | 0 | 113.3 | W46 L47 Y53 R214 | W46-L51 HydrophobicContact CD2-CD1 4.28Å; W46-L51 HydrophobicContact CE3-CD1 4.46Å; W46-L51 HydrophobicContact CH2-CD1 3.9Å; W46-L51 HydrophobicContact CZ2-CD1 3.67Å; W46-L51 HydrophobicContact CZ2-CD2 4.15Å; W46-L51 HydrophobicContact CZ2-CG 4.12Å; W46-L51 HydrophobicContact CZ3-CD1 4.31Å; W46-L51 PolarHBondContact O-N 2.66Å; L47-L51 HydrophobicContact CD2-CD1 4.05Å; L47-L51 CarbonylContact O-C 3.58Å; L47-L51 WeakPolarHBondContact O-CB 3.48Å; L51-Y53 VanDerWaalsContact C-N 3.29Å; L51-Y53 HydrophobicContact CB-CD2 3.66Å; L51-Y53 HydrophobicContact CB-CE2 3.9Å; L51-Y53 HydrophobicContact CD1-CE2 4.26Å; L51-Y53 PolarHBondContact O-N 3.43Å; L51-R214 HydrophobicContact CB-CG 4.19Å; L51-R214 HydrophobicContact CD1-CG 4.08Å; L51-R214 HydrophobicContact CD2-CB 4.31Å; L51-R214 HydrophobicContact CD2-CG 3.49Å; L51-R214 VanDerWaalsContact CD2-CG 3.49Å; L51-R214 HydrophobicContact CG-CG 4.1Å; L51-R214 VanDerWaalsContact O-CZ 3.28Å; L51-R214 PolarHBondContact O-NE 3.33Å; L51-R214 VanDerWaalsContact O-NE 3.14Å; L51-R214 PolarHBondContact O-NH2 3.33Å |
| 52 | K | 84.3 | Confident | 90 | Very high | 153 Ų | 153 | 70.1 Ų | 70.1 | 67% | 0.665 | 36% | 0.355 | S | S | * | . | trans | 54.2 | 41.3 | 179 | -56.6 | -172.2 | 176.6 | -171.1 | 0 | 113.3 | L47 S48 L210 | L47-K52 PolarHBondContact O-N 2.89Å; L47-K52 VanDerWaalsContact O-N 3.13Å; S48-K52 VanDerWaalsContact O-CA 3.28Å; S48-K52 WeakPolarHBondContact O-CA 3.49Å; S48-K52 PolarHBondContact O-N 2.87Å; K52-L210 HydrophobicContact CD-CD1 4.45Å | ||
| 53 | Y | 83.7 | Confident | 90.2 | Very high | 95 Ų | 95 | 69.1 Ų | 69.1 | 37% | 0.373 | 36% | 0.356 | S | S | . | . | trans | -72.6 | 153.4 | 167.3 | -85.1 | -98.1 | 0 | 0 | 0 | 110.4 | L47 L51 R214 | L47-Y53 HydrophobicContact CD2-CD2 4Å; L47-Y53 HydrophobicContact CD2-CE2 4.25Å; L47-Y53 HydrophobicContact CD2-CG 4.45Å; L47-Y53 PolarHBondContact O-N 3.36Å; L51-Y53 VanDerWaalsContact C-N 3.29Å; L51-Y53 HydrophobicContact CB-CD2 3.66Å; L51-Y53 HydrophobicContact CB-CE2 3.9Å; L51-Y53 HydrophobicContact CD1-CE2 4.26Å; L51-Y53 PolarHBondContact O-N 3.43Å; Y53-R214 HydrophobicContact CE2-CG 4.43Å; Y53-R214 VanDerWaalsContact CE2-CZ 3.46Å | ||
| 54 | D | 91.3 | Very high | 90.4 | Very high | 103 Ų | 103 | 74.9 Ų | 74.9 | 55% | 0.551 | 38% | 0.38 | S | S | * | . | trans | -54.1 | 147.4 | 171 | 179.3 | 67.3 | 0 | 0 | 0 | 111.1 | V56 A57 S58 | D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3Å; D54-V56 VanDerWaalsContact OD2-CB 3.31Å; D54-V56 WeakPolarHBondContact OD2-CB 3.42Å; D54-V56 PolarHBondContact OD2-N 3.29Å; D54-A57 HydrophobicContact CB-CB 4.3Å; D54-A57 PolarHBondContact O-N 3.21Å; D54-S58 WeakPolarHBondContact O-CB 3.47Å; D54-S58 PolarHBondContact O-N 3.48Å | ||
| 55 | H | 91.9 | Very high | 90.4 | Very high | 119 Ų | 119 | 76 Ų | 76 | 55% | 0.551 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -58.3 | -44.3 | -176.5 | -177 | -86.6 | 0 | 0 | 0 | 111.6 | S58 V59 | H55-S58 PolarHBondContact O-N 3.27Å; H55-V59 VanDerWaalsContact O-CG2 3.32Å; H55-V59 WeakPolarHBondContact O-CG2 3.45Å; H55-V59 PolarHBondContact O-N 3.12Å |
| 56 | V | 94.3 | Very high | 90.6 | Very high | 82 Ų | 82 | 72 Ų | 72 | 50% | 0.497 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.6 | -47.8 | -179.2 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | D54 S58 V59 Q60 | D54-V56 VanDerWaalsContact C-N 3.31Å; D54-V56 PolarHBondContact O-N 3Å; D54-V56 VanDerWaalsContact OD2-CB 3.31Å; D54-V56 WeakPolarHBondContact OD2-CB 3.42Å; D54-V56 PolarHBondContact OD2-N 3.29Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.49Å; V56-V59 PolarHBondContact O-N 3Å; V56-Q60 HydrophobicContact CG1-CG 4.33Å; V56-Q60 WeakPolarHBondContact O-CB 3.36Å; V56-Q60 VanDerWaalsContact O-CG 3.32Å; V56-Q60 WeakPolarHBondContact O-CG 3.25Å; V56-Q60 PolarHBondContact O-N 2.9Å |
| 57 | A | 92.8 | Very high | 91.1 | Very high | 34 Ų | 34 | 72.7 Ų | 72.7 | 28% | 0.281 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.8 | -41.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D54 T61 | D54-A57 HydrophobicContact CB-CB 4.3Å; D54-A57 PolarHBondContact O-N 3.21Å; A57-T61 WeakPolarHBondContact O-CB 3.31Å; A57-T61 PolarHBondContact O-N 2.96Å; A57-T61 PolarHBondContact O-OG1 3.21Å |
| 58 | S | 93.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -64.8 | -46.4 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | H44 L47 D54 H55 V56 A62 | H44-S58 PolarHBondContact CE1-OG 2.97Å; H44-S58 PolarHBondContact ND1-OG 3.5Å; H44-S58 PolarHBondContact O-OG 3.08Å; L47-S58 VanDerWaalsContact CB-OG 3.28Å; L47-S58 WeakPolarHBondContact CB-OG 3.43Å; D54-S58 WeakPolarHBondContact O-CB 3.47Å; D54-S58 PolarHBondContact O-N 3.48Å; H55-S58 PolarHBondContact O-N 3.27Å; V56-S58 VanDerWaalsContact C-N 3.34Å; V56-S58 PolarHBondContact O-N 3.49Å; S58-A62 VanDerWaalsContact O-CB 3.31Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 3.45Å |
| 59 | V | 95.2 | Very high | 91.6 | Very high | 52 Ų | 52 | 74.4 Ų | 74.4 | 32% | 0.315 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.2 | -49 | 178.2 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | H44 H55 V56 T61 A62 C63 | H44-V59 VanDerWaalsContact CE1-CG2 3.46Å; H44-V59 WeakPolarHBondContact CE1-CG2 3.26Å; H55-V59 VanDerWaalsContact O-CG2 3.32Å; H55-V59 WeakPolarHBondContact O-CG2 3.45Å; H55-V59 PolarHBondContact O-N 3.12Å; V56-V59 PolarHBondContact O-N 3Å; V59-T61 PolarHBondContact O-N 3.2Å; V59-A62 PolarHBondContact O-N 2.85Å; V59-C63 WeakPolarHBondContact O-CB 3.37Å; V59-C63 PolarHBondContact O-N 2.86Å; V59-C63 PolarHBondContact O-SG 3.35Å; V59-C63 VanDerWaalsContact O-SG 3.34Å |
| 60 | Q | 95.4 | Very high | 92.1 | Very high | 128 Ų | 128 | 70.6 Ų | 70.6 | 60% | 0.598 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -58.4 | -46.7 | -180 | -75.3 | 178 | -18.7 | 0 | 0 | 111.9 | V56 A62 C63 F64 | V56-Q60 HydrophobicContact CG1-CG 4.33Å; V56-Q60 WeakPolarHBondContact O-CB 3.36Å; V56-Q60 VanDerWaalsContact O-CG 3.32Å; V56-Q60 WeakPolarHBondContact O-CG 3.25Å; V56-Q60 PolarHBondContact O-N 2.9Å; Q60-A62 PolarHBondContact O-N 3.26Å; Q60-C63 PolarHBondContact O-N 3.06Å; Q60-F64 WeakPolarHBondContact O-CB 3.23Å; Q60-F64 PolarHBondContact O-N 3.48Å |
| 61 | T | 93.6 | Very high | 92.9 | Very high | 68 Ų | 68 | 71.1 Ų | 71.1 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.9 | -43.3 | 178.9 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | L47 A57 V59 F64 Y65 | L47-T61 HydrophobicContact CD1-CG2 3.78Å; A57-T61 WeakPolarHBondContact O-CB 3.31Å; A57-T61 PolarHBondContact O-N 2.96Å; A57-T61 PolarHBondContact O-OG1 3.21Å; V59-T61 PolarHBondContact O-N 3.2Å; T61-F64 PolarHBondContact O-N 3.03Å; T61-Y65 VanDerWaalsContact O-CB 3.27Å; T61-Y65 WeakPolarHBondContact O-CB 3.4Å; T61-Y65 PolarHBondContact O-N 3.23Å |
| 62 | A | 95.9 | Very high | 93.6 | Very high | 7 Ų | 7 | 72.3 Ų | 72.3 | 6% | 0.058 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H44 S58 V59 Q60 Y65 S66 | H44-A62 HydrophobicContact CB-CB 3.66Å; S58-A62 VanDerWaalsContact O-CB 3.31Å; S58-A62 WeakPolarHBondContact O-CB 3.24Å; S58-A62 PolarHBondContact O-N 3.45Å; V59-A62 PolarHBondContact O-N 2.85Å; Q60-A62 PolarHBondContact O-N 3.26Å; A62-Y65 PolarHBondContact O-N 2.92Å; A62-S66 WeakPolarHBondContact O-CB 3.34Å; A62-S66 PolarHBondContact O-N 3.25Å; A62-S66 PolarHBondContact O-OG 3.46Å |
| 63 | C | 96.2 | Very high | 94 | Very high | 75 Ų | 75 | 65.3 Ų | 65.3 | 51% | 0.507 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -49.5 | 175.3 | -73.3 | 0 | 0 | 0 | 0 | 111.3 | V59 Q60 Y65 S66 V67 | V59-C63 WeakPolarHBondContact O-CB 3.37Å; V59-C63 PolarHBondContact O-N 2.86Å; V59-C63 PolarHBondContact O-SG 3.35Å; V59-C63 VanDerWaalsContact O-SG 3.34Å; Q60-C63 PolarHBondContact O-N 3.06Å; C63-Y65 VanDerWaalsContact C-N 3.33Å; C63-Y65 PolarHBondContact O-N 3.19Å; C63-S66 PolarHBondContact O-N 3.24Å; C63-S66 VanDerWaalsContact O-N 3.17Å; C63-V67 WeakPolarHBondContact O-CG2 3.27Å; C63-V67 PolarHBondContact O-N 3.32Å |
| 64 | F | 96.2 | Very high | 94.5 | Very high | 154 Ų | 154 | 63.7 Ų | 63.7 | 68% | 0.675 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.8 | -45.3 | 177.8 | 179.2 | -98 | 0 | 0 | 0 | 111.8 | Q60 T61 T68 | Q60-F64 WeakPolarHBondContact O-CB 3.23Å; Q60-F64 PolarHBondContact O-N 3.48Å; T61-F64 PolarHBondContact O-N 3.03Å; F64-T68 WeakPolarHBondContact O-CB 3.31Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 2.95Å |
| 65 | Y | 95.1 | Very high | 94.6 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 30% | 0.302 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -46.4 | 174.4 | 170.2 | -96.8 | 0 | 0 | 0 | 112.1 | L43 T61 A62 C63 V67 T68 M69 | L43-Y65 HydrophobicContact CB-CD1 4.38Å; L43-Y65 HydrophobicContact CD2-CD1 3.54Å; L43-Y65 HydrophobicContact CD2-CD2 3.87Å; L43-Y65 HydrophobicContact CD2-CE1 4.2Å; L43-Y65 HydrophobicContact CD2-CE2 4.48Å; L43-Y65 HydrophobicContact CD2-CG 3.34Å; T61-Y65 VanDerWaalsContact O-CB 3.27Å; T61-Y65 WeakPolarHBondContact O-CB 3.4Å; T61-Y65 PolarHBondContact O-N 3.23Å; A62-Y65 PolarHBondContact O-N 2.92Å; C63-Y65 VanDerWaalsContact C-N 3.33Å; C63-Y65 PolarHBondContact O-N 3.19Å; Y65-V67 PolarHBondContact O-N 3.45Å; Y65-T68 PolarHBondContact O-N 3.25Å; Y65-M69 HydrophobicContact CD1-CG 4.12Å; Y65-M69 HydrophobicContact CD2-CG 3.98Å; Y65-M69 HydrophobicContact CE1-CG 3.69Å; Y65-M69 HydrophobicContact CE2-CG 3.52Å; Y65-M69 HydrophobicContact CE2-SD 3.94Å; Y65-M69 HydrophobicContact CG-CG 4.26Å; Y65-M69 WeakPolarHBondContact O-CB 3.38Å; Y65-M69 VanDerWaalsContact O-CG 3.3Å; Y65-M69 WeakPolarHBondContact O-CG 3.32Å; Y65-M69 PolarHBondContact O-N 2.64Å |
| 66 | S | 96.6 | Very high | 94.6 | Very high | 26 Ų | 26 | 63.5 Ų | 63.5 | 18% | 0.182 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.8 | -45.3 | -178 | -56.4 | 0 | 0 | 0 | 0 | 111.8 | A36 G40 A62 C63 M69 L70 | A36-S66 WeakPolarHBondContact CB-O 3.4Å; G40-S66 VanDerWaalsContact CA-OG 3.28Å; G40-S66 WeakPolarHBondContact CA-OG 3.48Å; A62-S66 WeakPolarHBondContact O-CB 3.34Å; A62-S66 PolarHBondContact O-N 3.25Å; A62-S66 PolarHBondContact O-OG 3.46Å; C63-S66 PolarHBondContact O-N 3.24Å; C63-S66 VanDerWaalsContact O-N 3.17Å; S66-M69 PolarHBondContact O-N 2.71Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 PolarHBondContact O-N 3.37Å |
| 67 | V | 96.9 | Very high | 94.6 | Very high | 87 Ų | 87 | 60.6 Ų | 60.6 | 53% | 0.527 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 175.9 | 173.7 | 0 | 0 | 0 | 0 | 110.3 | C63 Y65 M69 L70 L71 | C63-V67 WeakPolarHBondContact O-CG2 3.27Å; C63-V67 PolarHBondContact O-N 3.32Å; Y65-V67 PolarHBondContact O-N 3.45Å; V67-M69 PolarHBondContact O-N 3.19Å; V67-L70 PolarHBondContact O-N 2.87Å; V67-L71 HydrophobicContact CG1-CD1 3.98Å; V67-L71 HydrophobicContact CG1-CG 4.42Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.23Å |
| 68 | T | 95.1 | Very high | 94.6 | Very high | 56 Ų | 56 | 61.8 Ų | 61.8 | 34% | 0.344 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61 | -45.5 | 178.1 | -56.9 | 0 | 0 | 0 | 0 | 111.3 | F64 Y65 L70 L71 V72 | F64-T68 WeakPolarHBondContact O-CB 3.31Å; F64-T68 PolarHBondContact O-N 2.95Å; F64-T68 PolarHBondContact O-OG1 2.95Å; Y65-T68 PolarHBondContact O-N 3.25Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-L70 PolarHBondContact O-N 3.27Å; T68-L71 PolarHBondContact O-N 2.8Å; T68-V72 HydrophobicContact CG2-CG2 4.14Å; T68-V72 VanDerWaalsContact O-CB 3.25Å; T68-V72 WeakPolarHBondContact O-CB 3.4Å; T68-V72 VanDerWaalsContact O-CG2 3.26Å; T68-V72 WeakPolarHBondContact O-CG2 3.24Å; T68-V72 PolarHBondContact O-N 3.03Å |
| 69 | M | 93.9 | Very high | 94.6 | Very high | 28 Ų | 28 | 65.4 Ų | 65.4 | 14% | 0.138 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -40 | 178 | -78.4 | -65.5 | -69.6 | 0 | 0 | 112.4 | A36 Y65 S66 V67 S73 L83 | A36-M69 HydrophobicContact CB-CB 4.37Å; Y65-M69 HydrophobicContact CD1-CG 4.12Å; Y65-M69 HydrophobicContact CD2-CG 3.98Å; Y65-M69 HydrophobicContact CE1-CG 3.69Å; Y65-M69 HydrophobicContact CE2-CG 3.52Å; Y65-M69 HydrophobicContact CE2-SD 3.94Å; Y65-M69 HydrophobicContact CG-CG 4.26Å; Y65-M69 WeakPolarHBondContact O-CB 3.38Å; Y65-M69 VanDerWaalsContact O-CG 3.3Å; Y65-M69 WeakPolarHBondContact O-CG 3.32Å; Y65-M69 PolarHBondContact O-N 2.64Å; S66-M69 PolarHBondContact O-N 2.71Å; V67-M69 PolarHBondContact O-N 3.19Å; M69-S73 WeakPolarHBondContact O-CB 3.34Å; M69-S73 PolarHBondContact O-N 3.4Å; M69-S73 PolarHBondContact O-OG 3.09Å; M69-L83 HydrophobicContact CE-CD1 3.62Å; M69-L83 HydrophobicContact CE-CD2 3.76Å; M69-L83 HydrophobicContact CE-CG 4.24Å; M69-L83 HydrophobicContact SD-CD1 4.08Å; M69-L83 HydrophobicContact SD-CD2 4.06Å |
| 70 | L | 96.3 | Very high | 94.6 | Very high | 46 Ų | 46 | 63.1 Ų | 63.1 | 24% | 0.241 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.1 | -52.8 | 174.6 | 175.2 | 58.1 | 0 | 0 | 0 | 110.9 | L29 C32 A36 S66 V67 T68 V72 S73 F74 | L29-L70 HydrophobicContact CD1-CD1 4.29Å; C32-L70 HydrophobicContact CB-CD1 3.82Å; A36-L70 HydrophobicContact CB-CB 3.89Å; S66-L70 WeakPolarHBondContact O-CB 3.38Å; S66-L70 PolarHBondContact O-N 3.37Å; V67-L70 PolarHBondContact O-N 2.87Å; T68-L70 VanDerWaalsContact C-N 3.35Å; T68-L70 PolarHBondContact O-N 3.27Å; L70-V72 PolarHBondContact O-N 2.98Å; L70-S73 PolarHBondContact O-N 3.36Å; L70-F74 WeakPolarHBondContact O-CB 3.11Å; L70-F74 PolarHBondContact O-N 3.45Å |
| 71 | L | 94.8 | Very high | 94.5 | Very high | 92 Ų | 92 | 57 Ų | 57 | 48% | 0.482 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60.9 | -48.3 | -179.3 | -68.7 | 174.2 | 0 | 0 | 0 | 111.3 | V67 T68 F74 L75 | V67-L71 HydrophobicContact CG1-CD1 3.98Å; V67-L71 HydrophobicContact CG1-CG 4.42Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.23Å; T68-L71 PolarHBondContact O-N 2.8Å; L71-F74 PolarHBondContact O-N 3.06Å; L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.13Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.43Å; L71-L75 PolarHBondContact O-N 3.32Å |
| 72 | V | 93.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 54.1 Ų | 54.1 | 22% | 0.224 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.9 | -46.5 | -179.2 | 166.5 | 0 | 0 | 0 | 0 | 111.2 | T68 L70 F76 L79 | T68-V72 HydrophobicContact CG2-CG2 4.14Å; T68-V72 VanDerWaalsContact O-CB 3.25Å; T68-V72 WeakPolarHBondContact O-CB 3.4Å; T68-V72 VanDerWaalsContact O-CG2 3.26Å; T68-V72 WeakPolarHBondContact O-CG2 3.24Å; T68-V72 PolarHBondContact O-N 3.03Å; L70-V72 PolarHBondContact O-N 2.98Å; V72-F76 WeakPolarHBondContact O-CB 3.25Å; V72-F76 PolarHBondContact O-N 2.86Å; V72-L79 HydrophobicContact CG1-CB 3.6Å; V72-L79 HydrophobicContact CG1-CD1 3.46Å; V72-L79 VanDerWaalsContact CG1-CD1 3.46Å; V72-L79 HydrophobicContact CG1-CG 4.1Å |
| 73 | S | 92.1 | Very high | 94.5 | Very high | 6 Ų | 6 | 55.4 Ų | 55.4 | 4% | 0.042 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.4 | -36 | 179.4 | -55.6 | 0 | 0 | 0 | 0 | 111.6 | M69 L70 R80 L83 | M69-S73 WeakPolarHBondContact O-CB 3.34Å; M69-S73 PolarHBondContact O-N 3.4Å; M69-S73 PolarHBondContact O-OG 3.09Å; L70-S73 PolarHBondContact O-N 3.36Å; S73-R80 WeakPolarHBondContact O-CD 3.45Å; S73-R80 WeakPolarHBondContact O-CG 3.44Å; S73-R80 PolarHBondContact O-NE 3.25Å; S73-L83 WeakPolarHBondContact OG-CD1 3.41Å |
| 74 | F | 93.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 53.1 Ų | 53.1 | 26% | 0.263 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -72.8 | -46 | 180 | -176.8 | -107.6 | 0 | 0 | 0 | 112 | I25 L28 L29 L70 L71 | I25-F74 HydrophobicContact CG2-CE2 4.26Å; I25-F74 HydrophobicContact CG2-CZ 4Å; L28-F74 HydrophobicContact CD2-CD2 4.18Å; L28-F74 HydrophobicContact CD2-CE2 4.3Å; L28-F74 HydrophobicContact CG-CD2 4.15Å; L28-F74 HydrophobicContact CG-CE2 4.39Å; L29-F74 HydrophobicContact CB-CD2 4.34Å; L29-F74 HydrophobicContact CB-CE2 3.97Å; L29-F74 HydrophobicContact CD1-CD2 4.13Å; L29-F74 HydrophobicContact CD1-CE2 4.22Å; L70-F74 WeakPolarHBondContact O-CB 3.11Å; L70-F74 PolarHBondContact O-N 3.45Å; L71-F74 PolarHBondContact O-N 3.06Å |
| 75 | L | 93 | Very high | 94.3 | Very high | 108 Ų | 108 | 45.8 Ų | 45.8 | 57% | 0.565 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -85.3 | -34.2 | -170.4 | -60.4 | 173.3 | 0 | 0 | 0 | 113.7 | L71 | L71-L75 VanDerWaalsContact O-CB 3.27Å; L71-L75 WeakPolarHBondContact O-CB 3.13Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.43Å; L71-L75 PolarHBondContact O-N 3.32Å |
| 76 | F | 93.6 | Very high | 94.1 | Very high | 111 Ų | 111 | 43.8 Ų | 43.8 | 49% | 0.487 | 24% | 0.238 | S | C | . | . | trans | -112.3 | 101.5 | -170.9 | -60.6 | -85 | 0 | 0 | 0 | 112 | V72 L79 R80 | V72-F76 WeakPolarHBondContact O-CB 3.25Å; V72-F76 PolarHBondContact O-N 2.86Å; F76-L79 HydrophobicContact CB-CB 3.92Å; F76-L79 HydrophobicContact CB-CD1 3.74Å; F76-L79 HydrophobicContact CB-CG 3.96Å; F76-L79 HydrophobicContact CD2-CD1 4.21Å; F76-L79 HydrophobicContact CG-CD1 3.97Å; F76-L79 PolarHBondContact O-N 2.89Å; F76-L79 VanDerWaalsContact O-N 3.13Å; F76-R80 PolarHBondContact O-N 3.22Å; F76-R80 VanDerWaalsContact O-N 3.1Å | ||
| 77 | H | 93.1 | Very high | 93.8 | Very high | 20 Ų | 20 | 48.8 Ų | 48.8 | 9% | 0.093 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -55.3 | -44.3 | 178.3 | 173.7 | -93.7 | 0 | 0 | 0 | 114.7 | S16 K17 P18 L79 R80 C81 F407 F408 | S16-H77 PolarHBondContact O-NE2 3.15Å; K17-H77 PolarHBondContact O-CD2 3.35Å; P18-H77 WeakPolarHBondContact CA-CD2 3.5Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.05Å; H77-R80 WeakPolarHBondContact O-CB 3.32Å; H77-R80 PolarHBondContact O-N 3.25Å; H77-C81 PolarHBondContact O-N 2.84Å; H77-F407 AromaticContact CD2-CD1 3.8Å; H77-F407 AromaticContact CE1-CD1 3.87Å; H77-F407 PolarHBondContact CE1-O 3.4Å; H77-F407 AromaticContact NE2-CD1 3.41Å; H77-F407 WeakPolarHBondContact NE2-CD1 3.42Å; H77-F407 PolarHBondContact NE2-O 3.49Å; H77-F408 AromaticContact CE1-CE1 3.93Å; H77-F408 AromaticContact CE1-CZ 3.83Å; H77-F408 AromaticContact ND1-CE1 3.88Å; H77-F408 AromaticContact ND1-CZ 3.72Å |
| 78 | P | 94 | Very high | 93.6 | Very high | 60 Ų | 60 | 44.9 Ų | 44.9 | 39% | 0.39 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64 | -35.2 | 176.6 | -22.9 | 34.4 | 0 | 0 | 0 | 113 | C81 V82 L232 F408 | P78-C81 WeakPolarHBondContact O-CB 3.43Å; P78-C81 PolarHBondContact O-N 2.98Å; P78-V82 WeakPolarHBondContact O-CG2 3.49Å; P78-V82 PolarHBondContact O-N 2.92Å; P78-L232 HydrophobicContact CB-CD2 4.25Å; P78-F408 HydrophobicContact CB-CZ 4.18Å; P78-F408 HydrophobicContact CG-CZ 4.22Å |
| 79 | L | 93.2 | Very high | 93.5 | Very high | 75 Ų | 75 | 42.2 Ų | 42.2 | 39% | 0.393 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -71 | -35.8 | 179.9 | -67.2 | 175.8 | 0 | 0 | 0 | 111.4 | V72 F76 H77 C81 V82 L83 | V72-L79 HydrophobicContact CG1-CB 3.6Å; V72-L79 HydrophobicContact CG1-CD1 3.46Å; V72-L79 VanDerWaalsContact CG1-CD1 3.46Å; V72-L79 HydrophobicContact CG1-CG 4.1Å; F76-L79 HydrophobicContact CB-CB 3.92Å; F76-L79 HydrophobicContact CB-CD1 3.74Å; F76-L79 HydrophobicContact CB-CG 3.96Å; F76-L79 HydrophobicContact CD2-CD1 4.21Å; F76-L79 HydrophobicContact CG-CD1 3.97Å; F76-L79 PolarHBondContact O-N 2.89Å; F76-L79 VanDerWaalsContact O-N 3.13Å; H77-L79 VanDerWaalsContact C-N 3.3Å; H77-L79 PolarHBondContact O-N 3.05Å; L79-C81 VanDerWaalsContact C-N 3.3Å; L79-C81 PolarHBondContact O-N 3.42Å; L79-V82 PolarHBondContact O-N 3.45Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.87Å |
| 80 | R | 94.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.019 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -53.3 | -47.7 | 168.2 | -72.3 | -174.8 | -101 | 158.9 | -1.9 | 112.2 | Y15 K17 S73 F76 H77 V82 L83 T84 F407 | Y15-R80 HydrophobicContact CE2-CG 4.41Å; Y15-R80 PolarHBondContact O-NH1 3.34Å; K17-R80 PolarHBondContact O-NH1 3.27Å; K17-R80 VanDerWaalsContact O-NH1 3.1Å; S73-R80 WeakPolarHBondContact O-CD 3.45Å; S73-R80 WeakPolarHBondContact O-CG 3.44Å; S73-R80 PolarHBondContact O-NE 3.25Å; F76-R80 PolarHBondContact O-N 3.22Å; F76-R80 VanDerWaalsContact O-N 3.1Å; H77-R80 WeakPolarHBondContact O-CB 3.32Å; H77-R80 PolarHBondContact O-N 3.25Å; R80-V82 PolarHBondContact O-N 3.48Å; R80-L83 PolarHBondContact O-N 3.28Å; R80-T84 PolarHBondContact O-N 3.48Å; R80-T84 PolarHBondContact O-OG1 3.09Å; R80-F407 HydrophobicContact CB-CE1 3.57Å; R80-F407 HydrophobicContact CB-CZ 4.14Å |
| 81 | C | 95.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 178.1 | -174.6 | 0 | 0 | 0 | 0 | 111.2 | H77 P78 L79 L83 T84 M85 L232 F407 F408 | H77-C81 PolarHBondContact O-N 2.84Å; P78-C81 WeakPolarHBondContact O-CB 3.43Å; P78-C81 PolarHBondContact O-N 2.98Å; L79-C81 VanDerWaalsContact C-N 3.3Å; L79-C81 PolarHBondContact O-N 3.42Å; C81-L83 PolarHBondContact O-N 3.18Å; C81-T84 PolarHBondContact O-N 3.25Å; C81-M85 WeakPolarHBondContact O-CB 3.34Å; C81-M85 VanDerWaalsContact O-CG 3.24Å; C81-M85 WeakPolarHBondContact O-CG 3.44Å; C81-M85 PolarHBondContact O-N 3.47Å; C81-M85 VanDerWaalsContact SG-SD 3.67Å; C81-L232 HydrophobicContact CB-CD2 4.23Å; C81-F407 HydrophobicContact CB-CB 4.11Å; C81-F407 HydrophobicContact CB-CD1 3.62Å; C81-F407 HydrophobicContact CB-CD2 4.21Å; C81-F407 HydrophobicContact CB-CE1 4.07Å; C81-F407 HydrophobicContact CB-CG 3.71Å; C81-F408 HydrophobicContact CB-CE2 4.14Å |
| 82 | V | 95.4 | Very high | 92.9 | Very high | 6 Ų | 6 | 38.2 Ų | 38.2 | 4% | 0.036 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.7 | -47.8 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | P78 L79 R80 T84 M85 T86 I225 A229 L232 | P78-V82 WeakPolarHBondContact O-CG2 3.49Å; P78-V82 PolarHBondContact O-N 2.92Å; L79-V82 PolarHBondContact O-N 3.45Å; R80-V82 PolarHBondContact O-N 3.48Å; V82-T84 PolarHBondContact O-N 3.01Å; V82-M85 WeakPolarHBondContact O-CB 3.44Å; V82-M85 PolarHBondContact O-N 2.84Å; V82-T86 WeakPolarHBondContact O-CG2 3.17Å; V82-T86 PolarHBondContact O-N 3.2Å; V82-T86 VanDerWaalsContact O-N 3.09Å; V82-I225 HydrophobicContact CG1-CG2 4.28Å; V82-A229 HydrophobicContact CG1-CB 4.24Å; V82-A229 HydrophobicContact CG2-CB 4.24Å; V82-L232 HydrophobicContact CG2-CB 4.29Å; V82-L232 HydrophobicContact CG2-CD2 3.58Å |
| 83 | L | 92.6 | Very high | 92.6 | Very high | 34 Ų | 34 | 41.1 Ų | 41.1 | 18% | 0.178 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -44.1 | 179.5 | -70.4 | 175.2 | 0 | 0 | 0 | 111.5 | M69 S73 L79 R80 C81 M85 T86 | M69-L83 HydrophobicContact CE-CD1 3.62Å; M69-L83 HydrophobicContact CE-CD2 3.76Å; M69-L83 HydrophobicContact CE-CG 4.24Å; M69-L83 HydrophobicContact SD-CD1 4.08Å; M69-L83 HydrophobicContact SD-CD2 4.06Å; S73-L83 WeakPolarHBondContact OG-CD1 3.41Å; L79-L83 WeakPolarHBondContact O-CB 3.24Å; L79-L83 VanDerWaalsContact O-CG 3.26Å; L79-L83 WeakPolarHBondContact O-CG 3.39Å; L79-L83 PolarHBondContact O-N 2.87Å; R80-L83 PolarHBondContact O-N 3.28Å; C81-L83 PolarHBondContact O-N 3.18Å; L83-M85 VanDerWaalsContact C-N 3.29Å; L83-M85 PolarHBondContact O-N 3.06Å; L83-T86 WeakPolarHBondContact O-CB 3.38Å; L83-T86 PolarHBondContact O-N 2.91Å; L83-T86 PolarHBondContact O-OG1 3.47Å |
| 84 | T | 93.6 | Very high | 92.5 | Very high | 28 Ų | 28 | 42.4 Ų | 42.4 | 17% | 0.172 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.3 | -35.8 | 177.4 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | W12 Y15 R80 C81 V82 T86 P88 I403 | W12-T84 HydrophobicContact CH2-CG2 3.91Å; W12-T84 HydrophobicContact CZ3-CG2 4.07Å; Y15-T84 HydrophobicContact CE1-CG2 4.46Å; Y15-T84 VanDerWaalsContact CE1-OG1 3.24Å; Y15-T84 WeakPolarHBondContact CE1-OG1 3.44Å; Y15-T84 PolarHBondContact OH-OG1 3.39Å; R80-T84 PolarHBondContact O-N 3.48Å; R80-T84 PolarHBondContact O-OG1 3.09Å; C81-T84 PolarHBondContact O-N 3.25Å; V82-T84 PolarHBondContact O-N 3.01Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-T86 PolarHBondContact O-N 2.95Å; T84-P88 VanDerWaalsContact O-CD 3.23Å; T84-P88 WeakPolarHBondContact O-CD 3.38Å; T84-I403 HydrophobicContact CG2-CD1 4.12Å; T84-I403 HydrophobicContact CG2-CG1 4.46Å; T84-I403 HydrophobicContact CG2-CG2 4.12Å |
| 85 | M | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -73.1 | -16.6 | 177 | -75.2 | 169.6 | 43.5 | 0 | 0 | 114.3 | C81 V82 L83 L87 P88 T89 S228 Y231 L232 I403 C404 | C81-M85 WeakPolarHBondContact O-CB 3.34Å; C81-M85 VanDerWaalsContact O-CG 3.24Å; C81-M85 WeakPolarHBondContact O-CG 3.44Å; C81-M85 PolarHBondContact O-N 3.47Å; C81-M85 VanDerWaalsContact SG-SD 3.67Å; V82-M85 WeakPolarHBondContact O-CB 3.44Å; V82-M85 PolarHBondContact O-N 2.84Å; L83-M85 VanDerWaalsContact C-N 3.29Å; L83-M85 PolarHBondContact O-N 3.06Å; M85-L87 VanDerWaalsContact C-N 3.27Å; M85-L87 PolarHBondContact O-N 3.32Å; M85-P88 VanDerWaalsContact O-CD 3.28Å; M85-P88 WeakPolarHBondContact O-CD 3.27Å; M85-P88 WeakPolarHBondContact O-CG 3.37Å; M85-T89 VanDerWaalsContact O-CB 3.27Å; M85-T89 WeakPolarHBondContact O-CB 3.44Å; M85-T89 PolarHBondContact O-N 2.99Å; M85-T89 PolarHBondContact O-OG1 3.14Å; M85-S228 WeakPolarHBondContact CE-O 3.12Å; M85-Y231 HydrophobicContact CE-CD1 3.44Å; M85-Y231 VanDerWaalsContact CE-CD1 3.44Å; M85-Y231 HydrophobicContact CE-CE1 4.35Å; M85-Y231 HydrophobicContact CE-CG 4Å; M85-Y231 HydrophobicContact SD-CD1 4.46Å; M85-L232 HydrophobicContact CE-CB 4.44Å; M85-I403 HydrophobicContact CG-CB 4.16Å; M85-I403 HydrophobicContact CG-CD1 4.31Å; M85-I403 HydrophobicContact CG-CG2 3.81Å; M85-C404 PolarHBondContact SD-SG 2.83Å |
| 86 | T | 92.3 | Very high | 92.1 | Very high | 35 Ų | 35 | 35 Ų | 35 | 22% | 0.215 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.4 | -42.5 | 177.9 | 60.5 | 0 | 0 | 0 | 0 | 111.2 | V82 L83 T84 T89 V90 I225 | V82-T86 WeakPolarHBondContact O-CG2 3.17Å; V82-T86 PolarHBondContact O-N 3.2Å; V82-T86 VanDerWaalsContact O-N 3.09Å; L83-T86 WeakPolarHBondContact O-CB 3.38Å; L83-T86 PolarHBondContact O-N 2.91Å; L83-T86 PolarHBondContact O-OG1 3.47Å; T84-T86 VanDerWaalsContact C-N 3.3Å; T84-T86 PolarHBondContact O-N 2.95Å; T86-T89 CarbonylContact O-C 3.5Å; T86-T89 WeakPolarHBondContact O-CA 3.29Å; T86-T89 WeakPolarHBondContact O-CB 3.5Å; T86-T89 PolarHBondContact O-N 2.77Å; T86-T89 VanDerWaalsContact O-N 3.1Å; T86-V90 VanDerWaalsContact O-CG2 3.31Å; T86-V90 WeakPolarHBondContact O-CG2 2.96Å; T86-V90 PolarHBondContact O-N 3.45Å; T86-I225 HydrophobicContact CG2-CG1 4.04Å |
| 87 | L | 90.7 | Very high | 91.9 | Very high | 130 Ų | 130 | 36 Ų | 36 | 68% | 0.681 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -58.8 | -56.9 | -179.4 | -178.6 | 68 | 0 | 0 | 0 | 113.1 | M85 T89 V90 | M85-L87 VanDerWaalsContact C-N 3.27Å; M85-L87 PolarHBondContact O-N 3.32Å; L87-T89 PolarHBondContact O-N 2.8Å; L87-V90 WeakPolarHBondContact O-CB 3.19Å; L87-V90 PolarHBondContact O-N 3.35Å; L87-V90 VanDerWaalsContact O-N 3.16Å |
| 88 | P | 92.8 | Very high | 91.6 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.039 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.9 | -26 | 174.2 | 25.5 | -33.7 | 0 | 0 | 0 | 112.3 | T84 M85 V90 C91 T92 A396 L399 R400 I403 | T84-P88 VanDerWaalsContact O-CD 3.23Å; T84-P88 WeakPolarHBondContact O-CD 3.38Å; M85-P88 VanDerWaalsContact O-CD 3.28Å; M85-P88 WeakPolarHBondContact O-CD 3.27Å; M85-P88 WeakPolarHBondContact O-CG 3.37Å; P88-V90 VanDerWaalsContact C-N 3.27Å; P88-V90 PolarHBondContact O-N 2.87Å; P88-C91 PolarHBondContact O-N 3.13Å; P88-T92 WeakPolarHBondContact O-CG2 3.43Å; P88-A396 HydrophobicContact CB-CB 4.42Å; P88-A396 WeakPolarHBondContact O-CB 3.34Å; P88-L399 HydrophobicContact CB-CB 4.35Å; P88-L399 HydrophobicContact CB-CD2 4.05Å; P88-L399 HydrophobicContact CB-CG 4.22Å; P88-L399 HydrophobicContact CG-CD2 4.48Å; P88-L399 HydrophobicContact CG-CG 4.43Å; P88-R400 HydrophobicContact CB-CG 3.89Å; P88-R400 HydrophobicContact CG-CG 3.74Å; P88-I403 HydrophobicContact CG-CD1 3.72Å |
| 89 | T | 92.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -31.3 | 173.8 | -59.7 | 0 | 0 | 0 | 0 | 112.2 | M85 T86 L87 C91 T92 L224 E227 S228 R400 | M85-T89 VanDerWaalsContact O-CB 3.27Å; M85-T89 WeakPolarHBondContact O-CB 3.44Å; M85-T89 PolarHBondContact O-N 2.99Å; M85-T89 PolarHBondContact O-OG1 3.14Å; T86-T89 CarbonylContact O-C 3.5Å; T86-T89 WeakPolarHBondContact O-CA 3.29Å; T86-T89 WeakPolarHBondContact O-CB 3.5Å; T86-T89 PolarHBondContact O-N 2.77Å; T86-T89 VanDerWaalsContact O-N 3.1Å; L87-T89 PolarHBondContact O-N 2.8Å; T89-C91 PolarHBondContact O-N 3.32Å; T89-T92 WeakPolarHBondContact O-CB 3.03Å; T89-T92 PolarHBondContact O-N 3.47Å; T89-T92 VanDerWaalsContact O-N 3.13Å; T89-T92 PolarHBondContact O-OG1 3.25Å; T89-L224 HydrophobicContact CG2-CD2 3.92Å; T89-E227 HydrophobicContact CG2-CB 4.27Å; T89-S228 PolarHBondContact OG1-OG 3.07Å; T89-R400 VanDerWaalsContact OG1-CD 3.25Å; T89-R400 WeakPolarHBondContact OG1-CD 3.22Å |
| 90 | V | 91.1 | Very high | 91.3 | Very high | 41 Ų | 41 | 33 Ų | 33 | 25% | 0.248 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.6 | -40.8 | 169.8 | -172 | 0 | 0 | 0 | 0 | 110.7 | T86 L87 P88 T92 G95 L224 M389 | T86-V90 VanDerWaalsContact O-CG2 3.31Å; T86-V90 WeakPolarHBondContact O-CG2 2.96Å; T86-V90 PolarHBondContact O-N 3.45Å; L87-V90 WeakPolarHBondContact O-CB 3.19Å; L87-V90 PolarHBondContact O-N 3.35Å; L87-V90 VanDerWaalsContact O-N 3.16Å; P88-V90 VanDerWaalsContact C-N 3.27Å; P88-V90 PolarHBondContact O-N 2.87Å; V90-T92 PolarHBondContact O-N 2.91Å; V90-G95 WeakPolarHBondContact O-CA 3.44Å; V90-G95 PolarHBondContact O-N 3.02Å; V90-L224 HydrophobicContact CG2-CD1 3.69Å; V90-L224 HydrophobicContact CG2-CD2 4.32Å; V90-M389 HydrophobicContact CG1-CE 3.97Å |
| 91 | C | 90.6 | Very high | 91 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 24% | 0.243 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 18 | -179.9 | -61.9 | 0 | 0 | 0 | 0 | 113.9 | P88 T89 L392 E393 A396 | P88-C91 PolarHBondContact O-N 3.13Å; T89-C91 PolarHBondContact O-N 3.32Å; C91-L392 HydrophobicContact CB-CB 4.4Å; C91-E393 VanDerWaalsContact O-CA 3.23Å; C91-E393 WeakPolarHBondContact O-CA 3.31Å; C91-A396 HydrophobicContact CB-CB 3.69Å |
| 92 | T | 89.8 | Confident | 90.6 | Very high | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.031 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -110.7 | -169.3 | 177.3 | 72.7 | 0 | 0 | 0 | 0 | 112 | P88 T89 V90 Q94 G95 R96 A396 | P88-T92 WeakPolarHBondContact O-CG2 3.43Å; T89-T92 WeakPolarHBondContact O-CB 3.03Å; T89-T92 PolarHBondContact O-N 3.47Å; T89-T92 VanDerWaalsContact O-N 3.13Å; T89-T92 PolarHBondContact O-OG1 3.25Å; V90-T92 PolarHBondContact O-N 2.91Å; T92-Q94 PolarHBondContact O-N 2.98Å; T92-Q94 PolarHBondContact OG1-N 3.43Å; T92-G95 PolarHBondContact O-N 3.4Å; T92-R96 PolarHBondContact O-N 2.89Å; T92-A396 HydrophobicContact CG2-CB 4.11Å |
| 93 | K | 88.1 | Confident | 90.4 | Very high | 98 Ų | 98 | 35.6 Ų | 35.6 | 43% | 0.426 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -50.1 | -31.8 | 173 | -48.5 | -163.6 | 174.5 | 179.2 | 0 | 112.8 | R96 K97 E393 | K93-R96 PolarHBondContact O-N 3.49Å; K93-K97 WeakPolarHBondContact O-CG 3.26Å; K93-K97 PolarHBondContact O-N 3.34Å; K93-E393 WeakPolarHBondContact CE-OE1 3.46Å; K93-E393 WeakPolarHBondContact CG-OE1 3.31Å |
| 94 | Q | 88.8 | Confident | 90.3 | Very high | 32 Ų | 32 | 37 Ų | 37 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.7 | -46.5 | -178.8 | -59.7 | -61.5 | 2.8 | 0 | 0 | 112.4 | T92 R96 K97 L98 F220 L224 E227 | T92-Q94 PolarHBondContact O-N 2.98Å; T92-Q94 PolarHBondContact OG1-N 3.43Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 2.73Å; Q94-K97 WeakPolarHBondContact O-CB 3.21Å; Q94-K97 PolarHBondContact O-N 3.1Å; Q94-L98 PolarHBondContact O-N 3.21Å; Q94-F220 WeakPolarHBondContact O-CE2 3.43Å; Q94-L224 HydrophobicContact CB-CD2 4.09Å; Q94-E227 HydrophobicContact CG-CB 4.44Å; Q94-E227 HydrophobicContact CG-CG 4.02Å; Q94-E227 PolarHBondContact NE2-OE2 2.77Å |
| 95 | G | 88.6 | Confident | 89.9 | Confident | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.9 | -29.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | V90 T92 L98 L99 | V90-G95 WeakPolarHBondContact O-CA 3.44Å; V90-G95 PolarHBondContact O-N 3.02Å; T92-G95 PolarHBondContact O-N 3.4Å; G95-L98 WeakPolarHBondContact O-CB 3.48Å; G95-L98 PolarHBondContact O-N 3.07Å; G95-L98 VanDerWaalsContact O-N 3.17Å; G95-L99 PolarHBondContact O-N 2.84Å |
| 96 | R | 90 | Very high | 89.6 | Confident | 13 Ų | 13 | 38 Ų | 38 | 5% | 0.049 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 170.2 | -69.3 | -159.7 | -55.9 | -82.1 | 7.1 | 112.7 | T92 K93 Q94 L98 L99 I100 S279 S386 M389 E393 | T92-R96 PolarHBondContact O-N 2.89Å; K93-R96 PolarHBondContact O-N 3.49Å; Q94-R96 VanDerWaalsContact C-N 3.31Å; Q94-R96 PolarHBondContact O-N 2.73Å; R96-L98 PolarHBondContact O-N 2.66Å; R96-L99 PolarHBondContact O-N 3.28Å; R96-I100 WeakPolarHBondContact O-CG1 3.13Å; R96-I100 PolarHBondContact O-N 3.37Å; R96-S279 PolarHBondContact NH2-OG 3.18Å; R96-S386 WeakPolarHBondContact CD-O 3.08Å; R96-M389 HydrophobicContact CG-CB 3.68Å; R96-M389 HydrophobicContact CG-SD 4.03Å; R96-E393 IonicContact CZ-OE2 3.83Å; R96-E393 IonicContact NH1-OE2 2.73Å; R96-E393 PolarHBondContact NH1-OE2 3.2Å; R96-E393 IonicContact NH2-OE2 2.64Å; R96-E393 PolarHBondContact NH2-OE2 3.37Å |
| 97 | K | 88.8 | Confident | 89.5 | Confident | 132 Ų | 132 | 36.8 Ų | 36.8 | 57% | 0.574 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -59.1 | -37.9 | 173 | -72.7 | 176.9 | -179.7 | -177.6 | 0 | 111.5 | K93 Q94 S101 | K93-K97 WeakPolarHBondContact O-CG 3.26Å; K93-K97 PolarHBondContact O-N 3.34Å; Q94-K97 WeakPolarHBondContact O-CB 3.21Å; Q94-K97 PolarHBondContact O-N 3.1Å; K97-S101 VanDerWaalsContact O-CB 3.27Å; K97-S101 WeakPolarHBondContact O-CB 3.39Å; K97-S101 PolarHBondContact O-N 3.46Å |
| 98 | L | 87.6 | Confident | 89.3 | Confident | 47 Ų | 47 | 32.8 Ų | 32.8 | 25% | 0.246 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.8 | -51.4 | 172.6 | 174.7 | 70.1 | 0 | 0 | 0 | 111.9 | Q94 G95 R96 I100 S101 A102 F220 | Q94-L98 PolarHBondContact O-N 3.21Å; G95-L98 WeakPolarHBondContact O-CB 3.48Å; G95-L98 PolarHBondContact O-N 3.07Å; G95-L98 VanDerWaalsContact O-N 3.17Å; R96-L98 PolarHBondContact O-N 2.66Å; L98-I100 VanDerWaalsContact C-N 3.26Å; L98-I100 PolarHBondContact O-N 2.76Å; L98-S101 PolarHBondContact O-N 3.41Å; L98-S101 VanDerWaalsContact O-N 3.14Å; L98-A102 VanDerWaalsContact O-CB 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.23Å; L98-A102 PolarHBondContact O-N 3.33Å; L98-F220 HydrophobicContact CB-CD1 4.38Å; L98-F220 HydrophobicContact CB-CD2 3.6Å; L98-F220 HydrophobicContact CB-CE1 4.14Å; L98-F220 HydrophobicContact CB-CE2 3.36Å; L98-F220 HydrophobicContact CB-CG 4.1Å; L98-F220 HydrophobicContact CB-CZ 3.62Å; L98-F220 HydrophobicContact CD1-CB 3.96Å; L98-F220 HydrophobicContact CD1-CD1 3.98Å; L98-F220 HydrophobicContact CD1-CD2 4Å; L98-F220 HydrophobicContact CD1-CE1 4.45Å; L98-F220 HydrophobicContact CD1-CG 3.68Å; L98-F220 HydrophobicContact CD2-CD1 3.47Å; L98-F220 VanDerWaalsContact CD2-CD1 3.47Å; L98-F220 HydrophobicContact CD2-CD2 4.28Å; L98-F220 HydrophobicContact CD2-CE1 3.18Å; L98-F220 HydrophobicContact CD2-CE2 4.08Å; L98-F220 HydrophobicContact CD2-CG 3.98Å; L98-F220 HydrophobicContact CD2-CZ 3.51Å; L98-F220 HydrophobicContact CG-CD1 4.11Å; L98-F220 HydrophobicContact CG-CD2 4.13Å; L98-F220 HydrophobicContact CG-CE1 4.07Å; L98-F220 HydrophobicContact CG-CE2 4.14Å; L98-F220 HydrophobicContact CG-CG 4.1Å; L98-F220 HydrophobicContact CG-CZ 4.06Å |
| 99 | L | 90.4 | Very high | 88.8 | Confident | 22 Ų | 22 | 33.5 Ų | 33.5 | 12% | 0.115 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58 | -42.4 | -178.9 | -71 | 176.2 | 0 | 0 | 0 | 111.3 | G95 R96 A102 S103 F382 M385 S386 M389 | G95-L99 PolarHBondContact O-N 2.84Å; R96-L99 PolarHBondContact O-N 3.28Å; L99-A102 PolarHBondContact O-N 3.44Å; L99-S103 WeakPolarHBondContact O-CB 3.33Å; L99-S103 PolarHBondContact O-N 3.49Å; L99-S103 PolarHBondContact O-OG 2.94Å; L99-F382 HydrophobicContact CD2-CD1 4.07Å; L99-F382 HydrophobicContact CD2-CE1 4.42Å; L99-F382 HydrophobicContact CD2-CG 4.32Å; L99-M385 HydrophobicContact CD1-CB 3.93Å; L99-S386 WeakPolarHBondContact CB-OG 3.46Å; L99-S386 WeakPolarHBondContact CD1-OG 3.33Å; L99-M389 HydrophobicContact CD1-CE 4.1Å; L99-M389 HydrophobicContact CD1-SD 3.65Å |
| 100 | I | 89.9 | Confident | 88.4 | Confident | 23 Ų | 23 | 35.6 Ų | 35.6 | 12% | 0.118 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -48 | 175.5 | -66 | 165.7 | 0 | 0 | 0 | 110.4 | R96 L98 A102 S103 V104 Y286 | R96-I100 WeakPolarHBondContact O-CG1 3.13Å; R96-I100 PolarHBondContact O-N 3.37Å; L98-I100 VanDerWaalsContact C-N 3.26Å; L98-I100 PolarHBondContact O-N 2.76Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.07Å; I100-S103 WeakPolarHBondContact O-CB 3.31Å; I100-S103 PolarHBondContact O-N 3.02Å; I100-S103 VanDerWaalsContact O-N 3.15Å; I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.47Å; I100-Y286 HydrophobicContact CD1-CD2 3.93Å; I100-Y286 HydrophobicContact CD1-CE2 4.42Å; I100-Y286 HydrophobicContact CD1-CG 4.35Å; I100-Y286 HydrophobicContact CG2-CD1 3.98Å; I100-Y286 HydrophobicContact CG2-CD2 4.5Å; I100-Y286 HydrophobicContact CG2-CE1 4.39Å; I100-Y286 HydrophobicContact CG2-CG 4.05Å |
| 101 | S | 88.7 | Confident | 88.4 | Confident | 44 Ų | 44 | 34 Ų | 34 | 31% | 0.308 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62 | -39.8 | 178.8 | -170.7 | 0 | 0 | 0 | 0 | 112.6 | K97 L98 S103 V104 M105 L216 | K97-S101 VanDerWaalsContact O-CB 3.27Å; K97-S101 WeakPolarHBondContact O-CB 3.39Å; K97-S101 PolarHBondContact O-N 3.46Å; L98-S101 PolarHBondContact O-N 3.41Å; L98-S101 VanDerWaalsContact O-N 3.14Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S101-V104 PolarHBondContact O-N 3.32Å; S101-M105 VanDerWaalsContact O-CB 3.3Å; S101-M105 WeakPolarHBondContact O-CB 3.45Å; S101-M105 PolarHBondContact O-N 3.47Å; S101-L216 VanDerWaalsContact OG-CD1 3.32Å; S101-L216 WeakPolarHBondContact OG-CD1 3.28Å |
| 102 | A | 87.6 | Confident | 88.2 | Confident | 21 Ų | 21 | 35.1 Ų | 35.1 | 17% | 0.174 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.5 | -37.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L98 L99 I100 M105 I106 F382 | L98-A102 VanDerWaalsContact O-CB 3.32Å; L98-A102 WeakPolarHBondContact O-CB 3.23Å; L98-A102 PolarHBondContact O-N 3.33Å; L99-A102 PolarHBondContact O-N 3.44Å; I100-A102 VanDerWaalsContact C-N 3.33Å; I100-A102 PolarHBondContact O-N 3.07Å; A102-M105 WeakPolarHBondContact O-CB 3.35Å; A102-M105 PolarHBondContact O-N 3.33Å; A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.36Å; A102-F382 HydrophobicContact CB-CD2 4.4Å; A102-F382 HydrophobicContact CB-CE2 3.78Å; A102-F382 HydrophobicContact CB-CZ 4.49Å |
| 103 | S | 91.1 | Very high | 88 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.1 | -45.6 | 174.6 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | L99 I100 S101 M105 I106 L107 F382 | L99-S103 WeakPolarHBondContact O-CB 3.33Å; L99-S103 PolarHBondContact O-N 3.49Å; L99-S103 PolarHBondContact O-OG 2.94Å; I100-S103 WeakPolarHBondContact O-CB 3.31Å; I100-S103 PolarHBondContact O-N 3.02Å; I100-S103 VanDerWaalsContact O-N 3.15Å; S101-S103 VanDerWaalsContact C-N 3.34Å; S103-M105 VanDerWaalsContact C-N 3.32Å; S103-M105 PolarHBondContact O-N 3.1Å; S103-I106 PolarHBondContact O-N 2.73Å; S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.3Å; S103-F382 WeakPolarHBondContact OG-CD2 3.37Å |
| 104 | V | 89.6 | Confident | 88 | Confident | 64 Ų | 64 | 32 Ų | 32 | 39% | 0.388 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.6 | -42.1 | 174 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | I100 S101 I106 L107 V108 | I100-V104 WeakPolarHBondContact O-CG2 3.43Å; I100-V104 PolarHBondContact O-N 3.47Å; S101-V104 PolarHBondContact O-N 3.32Å; V104-I106 PolarHBondContact O-N 3.39Å; V104-L107 WeakPolarHBondContact O-CB 3.41Å; V104-L107 PolarHBondContact O-N 2.99Å; V104-V108 HydrophobicContact CG1-CG2 4.25Å; V104-V108 WeakPolarHBondContact O-CB 3.31Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.49Å; V104-V108 PolarHBondContact O-N 3.21Å |
| 105 | M | 86.1 | Confident | 87.9 | Confident | 27 Ų | 27 | 31.5 Ų | 31.5 | 13% | 0.133 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.1 | -45.3 | 176.7 | -173.7 | 57.8 | 75.2 | 0 | 0 | 111.9 | S101 A102 S103 L107 V108 L109 S212 N213 L216 | S101-M105 VanDerWaalsContact O-CB 3.3Å; S101-M105 WeakPolarHBondContact O-CB 3.45Å; S101-M105 PolarHBondContact O-N 3.47Å; A102-M105 WeakPolarHBondContact O-CB 3.35Å; A102-M105 PolarHBondContact O-N 3.33Å; S103-M105 VanDerWaalsContact C-N 3.32Å; S103-M105 PolarHBondContact O-N 3.1Å; M105-L107 VanDerWaalsContact C-N 3.31Å; M105-L107 PolarHBondContact O-N 3.3Å; M105-V108 PolarHBondContact O-N 3.28Å; M105-L109 HydrophobicContact CG-CD1 3.67Å; M105-L109 HydrophobicContact CG-CG 4.45Å; M105-L109 VanDerWaalsContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CG 3.24Å; M105-L109 PolarHBondContact O-N 2.97Å; M105-L109 HydrophobicContact SD-CD1 3.45Å; M105-L109 WeakPolarHBondContact SD-CD1 3.39Å; M105-L109 HydrophobicContact SD-CG 3.9Å; M105-S212 WeakPolarHBondContact CE-OG 3.43Å; M105-N213 VanDerWaalsContact CG-OD1 3.22Å; M105-N213 WeakPolarHBondContact CG-OD1 3.47Å; M105-L216 HydrophobicContact CE-CD2 4.3Å |
| 106 | I | 87.3 | Confident | 87.7 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.3 | -43.1 | 175.1 | -73 | 165.2 | 0 | 0 | 0 | 110.9 | A102 S103 V104 L109 N110 V375 L378 L379 F382 | A102-I106 VanDerWaalsContact O-CG1 3.28Å; A102-I106 WeakPolarHBondContact O-CG1 3.48Å; A102-I106 PolarHBondContact O-N 3.36Å; S103-I106 PolarHBondContact O-N 2.73Å; V104-I106 PolarHBondContact O-N 3.39Å; I106-L109 PolarHBondContact O-N 2.84Å; I106-N110 WeakPolarHBondContact O-CB 3.43Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-ND2 3.46Å; I106-V375 HydrophobicContact CG2-CG1 3.61Å; I106-L378 HydrophobicContact CD1-CD2 3.53Å; I106-L378 HydrophobicContact CD1-CG 3.94Å; I106-L378 HydrophobicContact CG1-CD2 4.43Å; I106-L379 HydrophobicContact CB-CD2 4.23Å; I106-L379 HydrophobicContact CG2-CD1 4.39Å; I106-L379 HydrophobicContact CG2-CD2 4.04Å; I106-L379 HydrophobicContact CG2-CG 4.09Å; I106-F382 HydrophobicContact CD1-CD2 3.95Å; I106-F382 HydrophobicContact CD1-CE2 3.36Å; I106-F382 HydrophobicContact CD1-CZ 4.18Å |
| 107 | L | 90.3 | Very high | 87.3 | Confident | 9 Ų | 9 | 33.4 Ų | 33.4 | 5% | 0.047 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -59.4 | -52.3 | 177.3 | -172.5 | 79.6 | 0 | 0 | 0 | 111 | S103 V104 M105 L109 V111 I112 I290 I293 V294 | S103-L107 WeakPolarHBondContact O-CB 3.42Å; S103-L107 PolarHBondContact O-N 3.3Å; V104-L107 WeakPolarHBondContact O-CB 3.41Å; V104-L107 PolarHBondContact O-N 2.99Å; M105-L107 VanDerWaalsContact C-N 3.31Å; M105-L107 PolarHBondContact O-N 3.3Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.49Å; L107-V111 HydrophobicContact CD1-CB 3.73Å; L107-V111 HydrophobicContact CD1-CG1 3.91Å; L107-V111 HydrophobicContact CD1-CG2 3.88Å; L107-V111 HydrophobicContact CG-CB 4.31Å; L107-V111 WeakPolarHBondContact O-CA 2.86Å; L107-V111 WeakPolarHBondContact O-CB 3.2Å; L107-V111 PolarHBondContact O-N 3.39Å; L107-I112 PolarHBondContact O-N 3.39Å; L107-I290 HydrophobicContact CD1-CG2 4.39Å; L107-I293 HydrophobicContact CD1-CB 4.01Å; L107-I293 HydrophobicContact CD1-CG2 3.75Å; L107-I293 HydrophobicContact CD2-CB 4.15Å; L107-I293 HydrophobicContact CD2-CD1 3.6Å; L107-I293 HydrophobicContact CD2-CG1 4.46Å; L107-I293 HydrophobicContact CD2-CG2 4.03Å; L107-I293 HydrophobicContact CG-CG2 4.11Å; L107-V294 HydrophobicContact CD1-CG2 4.04Å |
| 108 | V | 85.9 | Confident | 87.2 | Confident | 47 Ų | 47 | 27.1 Ų | 27.1 | 29% | 0.285 | 16% | 0.156 | S | C | . | . | I | π-helix | trans | -63.2 | -33.6 | -179.1 | 171.5 | 0 | 0 | 0 | 0 | 112.4 | V104 M105 I112 P113 L205 | V104-V108 HydrophobicContact CG1-CG2 4.25Å; V104-V108 WeakPolarHBondContact O-CB 3.31Å; V104-V108 VanDerWaalsContact O-CG2 3.29Å; V104-V108 WeakPolarHBondContact O-CG2 3.49Å; V104-V108 PolarHBondContact O-N 3.21Å; M105-V108 PolarHBondContact O-N 3.28Å; V108-I112 HydrophobicContact CB-CD1 4.33Å; V108-I112 HydrophobicContact CG2-CD1 3.89Å; V108-P113 WeakPolarHBondContact O-CD 3.45Å; V108-L205 HydrophobicContact CG1-CD2 3.43Å; V108-L205 VanDerWaalsContact CG1-CD2 3.43Å |
| 109 | L | 81.9 | Confident | 87 | Confident | 20 Ų | 20 | 27.2 Ų | 27.2 | 11% | 0.105 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -96.3 | -9.7 | -173.7 | -67.4 | 174.8 | 0 | 0 | 0 | 115.3 | M105 I106 L107 K209 | M105-L109 HydrophobicContact CG-CD1 3.67Å; M105-L109 HydrophobicContact CG-CG 4.45Å; M105-L109 VanDerWaalsContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CB 3.27Å; M105-L109 WeakPolarHBondContact O-CG 3.24Å; M105-L109 PolarHBondContact O-N 2.97Å; M105-L109 HydrophobicContact SD-CD1 3.45Å; M105-L109 WeakPolarHBondContact SD-CD1 3.39Å; M105-L109 HydrophobicContact SD-CG 3.9Å; I106-L109 PolarHBondContact O-N 2.84Å; L107-L109 VanDerWaalsContact C-N 3.29Å; L107-L109 PolarHBondContact O-N 3.49Å; L109-K209 HydrophobicContact CB-CD 4.08Å; L109-K209 HydrophobicContact CD1-CB 4.35Å; L109-K209 HydrophobicContact CD1-CD 4.17Å; L109-K209 HydrophobicContact CD1-CG 3.77Å; L109-K209 HydrophobicContact CD2-CB 3.81Å; L109-K209 HydrophobicContact CD2-CD 4.22Å; L109-K209 HydrophobicContact CD2-CG 4.03Å; L109-K209 HydrophobicContact CG-CD 4.41Å; L109-K209 HydrophobicContact CG-CG 4.34Å; L109-K209 PolarHBondContact O-NZ 3.09Å |
| 110 | N | 85.1 | Confident | 86.5 | Confident | 45 Ų | 45 | 26.9 Ų | 26.9 | 24% | 0.241 | 16% | 0.161 | C | C | . | . | I | π-helix | trans | -131.7 | -49 | -177.8 | -55.7 | -81.6 | 0 | 0 | 0 | 111.8 | I106 N114 K209 V375 | I106-N110 WeakPolarHBondContact O-CB 3.43Å; I106-N110 PolarHBondContact O-N 2.87Å; I106-N110 PolarHBondContact O-ND2 3.46Å; N110-N114 WeakPolarHBondContact O-CB 2.77Å; N110-N114 PolarHBondContact O-N 3.4Å; N110-K209 PolarHBondContact OD1-NZ 2.98Å; N110-V375 HydrophobicContact CB-CG1 4.18Å; N110-V375 HydrophobicContact CB-CG2 4.01Å |
| 111 | V | 89.9 | Confident | 86 | Confident | 6 Ų | 6 | 25.8 Ų | 25.8 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -78.6 | -49.7 | -175.3 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | L107 N114 I115 I293 V294 D297 V375 | L107-V111 HydrophobicContact CD1-CB 3.73Å; L107-V111 HydrophobicContact CD1-CG1 3.91Å; L107-V111 HydrophobicContact CD1-CG2 3.88Å; L107-V111 HydrophobicContact CG-CB 4.31Å; L107-V111 WeakPolarHBondContact O-CA 2.86Å; L107-V111 WeakPolarHBondContact O-CB 3.2Å; L107-V111 PolarHBondContact O-N 3.39Å; V111-N114 WeakPolarHBondContact O-CA 3.29Å; V111-N114 WeakPolarHBondContact O-CB 3.3Å; V111-N114 PolarHBondContact O-N 2.95Å; V111-I115 HydrophobicContact CG1-CD1 3.98Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 WeakPolarHBondContact O-CG1 3.26Å; V111-I115 PolarHBondContact O-N 2.92Å; V111-I293 HydrophobicContact CG1-CG2 4.33Å; V111-V294 HydrophobicContact CG2-CG2 4.34Å; V111-D297 HydrophobicContact CG1-CB 3.76Å; V111-V375 HydrophobicContact CG2-CG1 4.05Å |
| 112 | I | 87.3 | Confident | 85.6 | Confident | 60 Ų | 60 | 25 Ų | 25 | 31% | 0.308 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -58.1 | -48.6 | 179.7 | -62.1 | -176.2 | 0 | 0 | 0 | 111.7 | L107 V108 N114 I115 T116 | L107-I112 PolarHBondContact O-N 3.39Å; V108-I112 HydrophobicContact CB-CD1 4.33Å; V108-I112 HydrophobicContact CG2-CD1 3.89Å; I112-N114 PolarHBondContact O-N 3.29Å; I112-I115 WeakPolarHBondContact O-CB 3.43Å; I112-I115 PolarHBondContact O-N 3.36Å; I112-T116 PolarHBondContact O-N 2.97Å; I112-T116 PolarHBondContact O-OG1 3Å |
| 113 | P | 84.3 | Confident | 85.1 | Confident | 24 Ų | 24 | 25.7 Ų | 25.7 | 16% | 0.156 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -30.1 | 176.9 | -23.9 | 35.3 | 0 | 0 | 0 | 113.1 | V108 T116 V117 | V108-P113 WeakPolarHBondContact O-CD 3.45Å; P113-T116 PolarHBondContact O-N 2.9Å; P113-V117 WeakPolarHBondContact O-CG2 3.42Å; P113-V117 PolarHBondContact O-N 3.34Å |
| 114 | N | 87.7 | Confident | 84.4 | Confident | 13 Ų | 13 | 29.3 Ų | 29.3 | 7% | 0.07 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.3 | -47.7 | 175.3 | -160.6 | 68 | 0 | 0 | 0 | 110.9 | N110 V111 I112 T116 V117 N118 D297 S369 | N110-N114 WeakPolarHBondContact O-CB 2.77Å; N110-N114 PolarHBondContact O-N 3.4Å; V111-N114 WeakPolarHBondContact O-CA 3.29Å; V111-N114 WeakPolarHBondContact O-CB 3.3Å; V111-N114 PolarHBondContact O-N 2.95Å; I112-N114 PolarHBondContact O-N 3.29Å; N114-T116 VanDerWaalsContact C-N 3.33Å; N114-T116 PolarHBondContact O-N 2.91Å; N114-V117 PolarHBondContact O-N 3.32Å; N114-N118 PolarHBondContact ND2-ND2 3.37Å; N114-N118 PolarHBondContact O-N 3.33Å; N114-N118 PolarHBondContact O-ND2 2.84Å; N114-D297 VanDerWaalsContact ND2-CG 3.3Å; N114-D297 PolarHBondContact ND2-OD1 3.48Å; N114-D297 PolarHBondContact ND2-OD2 3.13Å; N114-S369 PolarHBondContact ND2-O 2.88Å; N114-S369 WeakPolarHBondContact OD1-CB 3.31Å; N114-S369 PolarHBondContact OD1-O 3.08Å; N114-S369 PolarHBondContact OD1-OG 3.42Å |
| 115 | I | 88.2 | Confident | 83.7 | Confident | 23 Ų | 23 | 26.7 Ų | 26.7 | 12% | 0.118 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.5 | -49.6 | 171.5 | -63.9 | 168.6 | 0 | 0 | 0 | 109.6 | V111 I112 V117 N118 V119 I293 D297 | V111-I115 HydrophobicContact CG1-CD1 3.98Å; V111-I115 HydrophobicContact CG1-CG1 4.42Å; V111-I115 WeakPolarHBondContact O-CG1 3.26Å; V111-I115 PolarHBondContact O-N 2.92Å; I112-I115 WeakPolarHBondContact O-CB 3.43Å; I112-I115 PolarHBondContact O-N 3.36Å; I115-V117 VanDerWaalsContact C-N 3.29Å; I115-V117 PolarHBondContact O-N 2.96Å; I115-N118 PolarHBondContact O-N 2.63Å; I115-N118 VanDerWaalsContact O-N 3.14Å; I115-V119 HydrophobicContact CG2-CG2 3.91Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.38Å; I115-V119 PolarHBondContact O-N 3.4Å; I115-I293 HydrophobicContact CD1-CG2 4.04Å; I115-D297 HydrophobicContact CD1-CB 3.99Å; I115-D297 HydrophobicContact CG1-CB 3.58Å; I115-D297 WeakPolarHBondContact CG1-OD1 3.4Å; I115-D297 PolarHBondContact N-OD1 3.26Å |
| 116 | T | 83.1 | Confident | 83.2 | Confident | 25 Ų | 25 | 30.6 Ų | 30.6 | 15% | 0.153 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.6 | -41 | 179.3 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | I112 P113 N114 G120 F198 | I112-T116 PolarHBondContact O-N 2.97Å; I112-T116 PolarHBondContact O-OG1 3Å; P113-T116 PolarHBondContact O-N 2.9Å; N114-T116 VanDerWaalsContact C-N 3.33Å; N114-T116 PolarHBondContact O-N 2.91Å; T116-G120 PolarHBondContact O-N 2.9Å; T116-F198 HydrophobicContact CG2-CB 4.4Å; T116-F198 HydrophobicContact CG2-CD1 3.5Å; T116-F198 HydrophobicContact CG2-CE1 4.21Å; T116-F198 HydrophobicContact CG2-CG 4.37Å |
| 117 | V | 82.4 | Confident | 82.5 | Confident | 28 Ų | 28 | 32.3 Ų | 32.3 | 17% | 0.17 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.1 | -45 | 176.5 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | P113 N114 I115 G120 A121 K202 | P113-V117 WeakPolarHBondContact O-CG2 3.42Å; P113-V117 PolarHBondContact O-N 3.34Å; N114-V117 PolarHBondContact O-N 3.32Å; I115-V117 VanDerWaalsContact C-N 3.29Å; I115-V117 PolarHBondContact O-N 2.96Å; V117-G120 CarbonylContact O-C 3.59Å; V117-G120 PolarHBondContact O-N 3.42Å; V117-A121 PolarHBondContact O-N 3.24Å; V117-K202 HydrophobicContact CG2-CD 4.21Å |
| 118 | N | 87.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.9 | -38.1 | -179.9 | -66.8 | -31.1 | 0 | 0 | 0 | 112.2 | N114 I115 G120 A121 V122 V300 V304 S369 | N114-N118 PolarHBondContact ND2-ND2 3.37Å; N114-N118 PolarHBondContact O-N 3.33Å; N114-N118 PolarHBondContact O-ND2 2.84Å; I115-N118 PolarHBondContact O-N 2.63Å; I115-N118 VanDerWaalsContact O-N 3.14Å; N118-G120 VanDerWaalsContact C-N 3.34Å; N118-A121 WeakPolarHBondContact O-CA 3.25Å; N118-A121 VanDerWaalsContact O-CB 3.27Å; N118-A121 WeakPolarHBondContact O-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.15Å; N118-V122 WeakPolarHBondContact O-CG2 3.26Å; N118-V122 PolarHBondContact O-N 3.48Å; N118-V300 HydrophobicContact CB-CG1 3.62Å; N118-V304 HydrophobicContact CB-CG2 4.29Å; N118-V304 WeakPolarHBondContact O-CG2 3.09Å; N118-S369 PolarHBondContact ND2-O 3.06Å; N118-S369 PolarHBondContact OD1-N 3.19Å; N118-S369 PolarHBondContact OD1-O 3.25Å |
| 119 | V | 83.3 | Confident | 81.3 | Confident | 48 Ų | 48 | 31.7 Ų | 31.7 | 29% | 0.291 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 170.4 | 173.3 | 0 | 0 | 0 | 0 | 110.6 | I115 A121 V122 A123 F198 V300 | I115-V119 HydrophobicContact CG2-CG2 3.91Å; I115-V119 WeakPolarHBondContact O-CB 3.44Å; I115-V119 VanDerWaalsContact O-CG2 3.31Å; I115-V119 WeakPolarHBondContact O-CG2 3.38Å; I115-V119 PolarHBondContact O-N 3.4Å; V119-A121 VanDerWaalsContact C-N 3.26Å; V119-A121 PolarHBondContact O-N 3.26Å; V119-V122 WeakPolarHBondContact O-CB 3.35Å; V119-V122 PolarHBondContact O-N 2.64Å; V119-V122 VanDerWaalsContact O-N 3.17Å; V119-A123 WeakPolarHBondContact O-CB 3.31Å; V119-A123 PolarHBondContact O-N 3.41Å; V119-F198 HydrophobicContact CB-CE1 4.14Å; V119-F198 HydrophobicContact CG1-CE1 3.65Å; V119-F198 HydrophobicContact CG1-CZ 3.84Å; V119-V300 HydrophobicContact CG2-CG1 3.85Å |
| 120 | G | 79.1 | Confident | 80.8 | Confident | 16 Ų | 16 | 32.1 Ų | 32.1 | 17% | 0.165 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62 | -33.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T116 V117 N118 R124 | T116-G120 PolarHBondContact O-N 2.9Å; V117-G120 CarbonylContact O-C 3.59Å; V117-G120 PolarHBondContact O-N 3.42Å; N118-G120 VanDerWaalsContact C-N 3.34Å; G120-R124 WeakPolarHBondContact O-CB 3.36Å; G120-R124 WeakPolarHBondContact O-CG 3.32Å; G120-R124 PolarHBondContact O-N 3.3Å; G120-R124 PolarHBondContact O-NE 2.98Å |
| 121 | A | 80.1 | Confident | 80.2 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.2 | -48.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V117 N118 V119 A123 R124 I125 V304 V366 | V117-A121 PolarHBondContact O-N 3.24Å; N118-A121 WeakPolarHBondContact O-CA 3.25Å; N118-A121 VanDerWaalsContact O-CB 3.27Å; N118-A121 WeakPolarHBondContact O-CB 3.45Å; N118-A121 PolarHBondContact O-N 3.15Å; V119-A121 VanDerWaalsContact C-N 3.26Å; V119-A121 PolarHBondContact O-N 3.26Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.2Å; A121-R124 PolarHBondContact O-N 3.33Å; A121-I125 WeakPolarHBondContact O-CG1 3.49Å; A121-I125 PolarHBondContact O-N 3.41Å; A121-V304 HydrophobicContact CB-CG1 4.18Å; A121-V304 HydrophobicContact CB-CG2 4.38Å; A121-V366 HydrophobicContact CB-CG1 3.22Å |
| 122 | V | 79.4 | Confident | 79.4 | Confident | 27 Ų | 27 | 32.2 Ų | 32.2 | 16% | 0.164 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.3 | -46.8 | 173.8 | 179 | 0 | 0 | 0 | 0 | 111.2 | N118 V119 R124 I125 L126 I303 V304 I307 | N118-V122 WeakPolarHBondContact O-CG2 3.26Å; N118-V122 PolarHBondContact O-N 3.48Å; V119-V122 WeakPolarHBondContact O-CB 3.35Å; V119-V122 PolarHBondContact O-N 2.64Å; V119-V122 VanDerWaalsContact O-N 3.17Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 3.06Å; V122-I125 PolarHBondContact O-N 2.98Å; V122-L126 HydrophobicContact CG1-CD1 3.93Å; V122-L126 HydrophobicContact CG1-CG 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.05Å; V122-I303 HydrophobicContact CG2-CG2 4.49Å; V122-V304 HydrophobicContact CG2-CG2 3.41Å; V122-V304 VanDerWaalsContact CG2-CG2 3.41Å; V122-I307 HydrophobicContact CG1-CD1 4.39Å |
| 123 | A | 76.6 | Confident | 78.6 | Confident | 35 Ų | 35 | 31.7 Ų | 31.7 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.5 | -39.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | V119 A121 L126 K127 I194 | V119-A123 WeakPolarHBondContact O-CB 3.31Å; V119-A123 PolarHBondContact O-N 3.41Å; A121-A123 VanDerWaalsContact C-N 3.32Å; A121-A123 PolarHBondContact O-N 3.2Å; A123-L126 PolarHBondContact O-N 3.41Å; A123-K127 VanDerWaalsContact O-CB 3.32Å; A123-K127 WeakPolarHBondContact O-CB 3.35Å; A123-K127 PolarHBondContact O-N 2.98Å; A123-I194 HydrophobicContact CB-CG2 4.4Å |
| 124 | R | 76.4 | Confident | 77.9 | Confident | 76 Ų | 76 | 31.7 Ų | 31.7 | 29% | 0.287 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 174.2 | -77.9 | -175.3 | -69.8 | -177.2 | 4.5 | 112.3 | G120 A121 V122 K127 C128 T367 | G120-R124 WeakPolarHBondContact O-CB 3.36Å; G120-R124 WeakPolarHBondContact O-CG 3.32Å; G120-R124 PolarHBondContact O-N 3.3Å; G120-R124 PolarHBondContact O-NE 2.98Å; A121-R124 PolarHBondContact O-N 3.33Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 3.06Å; R124-K127 WeakPolarHBondContact O-CB 3.19Å; R124-K127 PolarHBondContact O-N 3.33Å; R124-C128 VanDerWaalsContact O-CB 3.28Å; R124-C128 WeakPolarHBondContact O-CB 3.48Å; R124-C128 PolarHBondContact O-N 2.98Å; R124-C128 PolarHBondContact O-SG 3.36Å; R124-C128 VanDerWaalsContact O-SG 3.35Å; R124-T367 PolarHBondContact NH2-OG1 3Å |
| 125 | I | 76.8 | Confident | 77 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 5% | 0.051 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.9 | -50.2 | 173.9 | -64.4 | 163.6 | 0 | 0 | 0 | 110.1 | A121 V122 K127 C128 T129 V304 I307 V308 V311 V366 | A121-I125 WeakPolarHBondContact O-CG1 3.49Å; A121-I125 PolarHBondContact O-N 3.41Å; V122-I125 PolarHBondContact O-N 2.98Å; I125-K127 VanDerWaalsContact C-N 3.31Å; I125-K127 PolarHBondContact O-N 3.1Å; I125-C128 WeakPolarHBondContact O-CB 3.47Å; I125-C128 PolarHBondContact O-N 3.13Å; I125-C128 VanDerWaalsContact O-N 3.11Å; I125-T129 WeakPolarHBondContact O-CB 3.45Å; I125-T129 PolarHBondContact O-N 3.36Å; I125-T129 PolarHBondContact O-OG1 3.18Å; I125-V304 HydrophobicContact CD1-CG1 4.28Å; I125-I307 HydrophobicContact CD1-CG2 4.23Å; I125-I307 HydrophobicContact CG2-CG2 3.81Å; I125-V308 HydrophobicContact CD1-CG2 3.53Å; I125-V311 HydrophobicContact CG2-CB 4.38Å; I125-V311 HydrophobicContact CG2-CG1 4.38Å; I125-V311 HydrophobicContact CG2-CG2 3.78Å; I125-V366 HydrophobicContact CD1-CG1 4.23Å; I125-V366 HydrophobicContact CD1-CG2 4.36Å; I125-V366 HydrophobicContact CG1-CG1 4.3Å; I125-V366 HydrophobicContact CG1-CG2 3.67Å |
| 126 | L | 75.3 | Confident | 76.1 | Confident | 109 Ų | 109 | 38 Ų | 38 | 57% | 0.571 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -58.3 | -42.9 | 177.7 | -71.8 | 173.4 | 0 | 0 | 0 | 112.1 | V122 A123 A130 | V122-L126 HydrophobicContact CG1-CD1 3.93Å; V122-L126 HydrophobicContact CG1-CG 4.26Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.05Å; A123-L126 PolarHBondContact O-N 3.41Å; L126-A130 WeakPolarHBondContact O-CB 3.26Å; L126-A130 PolarHBondContact O-N 3.16Å |
| 127 | K | 73 | Confident | 75.4 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 25% | 0.252 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -54.6 | -54.7 | 172.2 | 160.1 | -178.2 | -164 | 172.5 | 0 | 110.4 | A123 R124 I125 T129 A130 E131 I191 | A123-K127 VanDerWaalsContact O-CB 3.32Å; A123-K127 WeakPolarHBondContact O-CB 3.35Å; A123-K127 PolarHBondContact O-N 2.98Å; R124-K127 WeakPolarHBondContact O-CB 3.19Å; R124-K127 PolarHBondContact O-N 3.33Å; I125-K127 VanDerWaalsContact C-N 3.31Å; I125-K127 PolarHBondContact O-N 3.1Å; K127-T129 PolarHBondContact O-N 3.39Å; K127-A130 CarbonylContact O-C 3.56Å; K127-A130 PolarHBondContact O-N 2.94Å; K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.33Å; K127-E131 IonicContact NZ-OE1 3.8Å; K127-E131 WeakPolarHBondContact O-CB 3.27Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.17Å; K127-I191 HydrophobicContact CB-CD1 4.47Å; K127-I191 HydrophobicContact CB-CG2 3.83Å; K127-I191 HydrophobicContact CD-CG2 3.17Å; K127-I191 HydrophobicContact CG-CD1 4.2Å; K127-I191 HydrophobicContact CG-CG2 3.43Å; K127-I191 VanDerWaalsContact CG-CG2 3.43Å |
| 128 | C | 74.5 | Confident | 74.6 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 15% | 0.149 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.2 | -47.4 | -176.4 | -88.5 | 0 | 0 | 0 | 0 | 112.8 | R124 I125 A130 E131 G132 C364 | R124-C128 VanDerWaalsContact O-CB 3.28Å; R124-C128 WeakPolarHBondContact O-CB 3.48Å; R124-C128 PolarHBondContact O-N 2.98Å; R124-C128 PolarHBondContact O-SG 3.36Å; R124-C128 VanDerWaalsContact O-SG 3.35Å; I125-C128 WeakPolarHBondContact O-CB 3.47Å; I125-C128 PolarHBondContact O-N 3.13Å; I125-C128 VanDerWaalsContact O-N 3.11Å; C128-A130 VanDerWaalsContact C-N 3.31Å; C128-A130 PolarHBondContact O-N 3.45Å; C128-E131 PolarHBondContact O-N 2.81Å; C128-G132 PolarHBondContact O-N 2.87Å; C128-C364 HydrophobicContact CB-CB 3.79Å; C128-C364 WeakPolarHBondContact CB-SG 3.5Å; C128-C364 WeakPolarHBondContact SG-CB 3.45Å; C128-C364 CovalentContact SG-SG 1.98Å; C128-C364 PolarHBondContact SG-SG 2.72Å |
| 129 | T | 75.1 | Confident | 73.4 | Confident | 20 Ų | 20 | 45.7 Ų | 45.7 | 12% | 0.123 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 175.1 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | I125 K127 G132 F133 V311 P359 | I125-T129 WeakPolarHBondContact O-CB 3.45Å; I125-T129 PolarHBondContact O-N 3.36Å; I125-T129 PolarHBondContact O-OG1 3.18Å; K127-T129 PolarHBondContact O-N 3.39Å; T129-G132 PolarHBondContact O-N 2.85Å; T129-F133 HydrophobicContact CG2-CD2 3.63Å; T129-F133 HydrophobicContact CG2-CE2 3.34Å; T129-F133 HydrophobicContact CG2-CZ 4.32Å; T129-F133 WeakPolarHBondContact O-CB 3.19Å; T129-F133 WeakPolarHBondContact O-CD2 3.44Å; T129-F133 WeakPolarHBondContact O-CG 3.25Å; T129-F133 PolarHBondContact O-N 3.21Å; T129-V311 VanDerWaalsContact OG1-CG1 3.23Å; T129-V311 WeakPolarHBondContact OG1-CG1 3.34Å; T129-P359 HydrophobicContact CG2-CB 4.18Å |
| 130 | A | 72.8 | Confident | 72.4 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 24% | 0.24 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.2 | -38 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L126 K127 C128 T134 | L126-A130 WeakPolarHBondContact O-CB 3.26Å; L126-A130 PolarHBondContact O-N 3.16Å; K127-A130 CarbonylContact O-C 3.56Å; K127-A130 PolarHBondContact O-N 2.94Å; C128-A130 VanDerWaalsContact C-N 3.31Å; C128-A130 PolarHBondContact O-N 3.45Å; A130-T134 WeakPolarHBondContact O-CB 3.48Å; A130-T134 PolarHBondContact O-N 3.24Å; A130-T134 PolarHBondContact O-OG1 2.98Å |
| 131 | E | 72.1 | Confident | 71.7 | Confident | 50 Ų | 50 | 46.4 Ų | 46.4 | 23% | 0.234 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -67.4 | -42.5 | 175.1 | -79.9 | -176 | -176.4 | 0 | 0 | 111.2 | K127 C128 T134 R135 | K127-E131 WeakPolarHBondContact CE-OE1 3.45Å; K127-E131 HydrophobicContact CG-CG 4.33Å; K127-E131 IonicContact NZ-OE1 3.8Å; K127-E131 WeakPolarHBondContact O-CB 3.27Å; K127-E131 WeakPolarHBondContact O-CG 3.43Å; K127-E131 PolarHBondContact O-N 3.17Å; C128-E131 PolarHBondContact O-N 2.81Å; E131-T134 PolarHBondContact O-N 2.97Å; E131-R135 VanDerWaalsContact O-CB 3.28Å; E131-R135 WeakPolarHBondContact O-CB 3.43Å; E131-R135 WeakPolarHBondContact O-CG 3.25Å; E131-R135 PolarHBondContact O-N 2.72Å |
| 132 | G | 71.7 | Confident | 71.3 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.5 | -52.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | C128 T129 T134 R135 T136 | C128-G132 PolarHBondContact O-N 2.87Å; T129-G132 PolarHBondContact O-N 2.85Å; G132-T134 PolarHBondContact O-N 3.36Å; G132-R135 PolarHBondContact O-N 3.28Å; G132-T136 PolarHBondContact O-N 3.19Å; G132-T136 PolarHBondContact O-OG1 3.18Å; G132-T136 VanDerWaalsContact O-OG1 3.05Å |
| 133 | F | 71.8 | Confident | 71 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 21% | 0.211 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -57.8 | -46.3 | 175.4 | -78.2 | -46.3 | 0 | 0 | 0 | 112.7 | T129 T136 L137 F314 F357 P359 | T129-F133 HydrophobicContact CG2-CD2 3.63Å; T129-F133 HydrophobicContact CG2-CE2 3.34Å; T129-F133 HydrophobicContact CG2-CZ 4.32Å; T129-F133 WeakPolarHBondContact O-CB 3.19Å; T129-F133 WeakPolarHBondContact O-CD2 3.44Å; T129-F133 WeakPolarHBondContact O-CG 3.25Å; T129-F133 PolarHBondContact O-N 3.21Å; F133-T136 PolarHBondContact O-N 3.23Å; F133-L137 WeakPolarHBondContact O-CA 3.12Å; F133-L137 WeakPolarHBondContact O-CB 3.38Å; F133-L137 PolarHBondContact O-N 3.34Å; F133-F314 HydrophobicContact CE1-CE1 4.4Å; F133-F314 AromaticContact CZ-CD1 3.91Å; F133-F314 HydrophobicContact CZ-CD1 3.91Å; F133-F314 AromaticContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CZ 4.47Å; F133-F357 AromaticContact CD1-CD2 3.33Å; F133-F357 HydrophobicContact CD1-CD2 3.33Å; F133-F357 AromaticContact CD1-CE2 3.55Å; F133-F357 HydrophobicContact CD1-CE2 3.55Å; F133-F357 AromaticContact CE1-CD2 3.53Å; F133-F357 HydrophobicContact CE1-CD2 3.53Å; F133-F357 AromaticContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CG-CD2 4.48Å; F133-F357 HydrophobicContact CZ-CE2 4.49Å; F133-P359 HydrophobicContact CD1-CB 4.5Å; F133-P359 HydrophobicContact CE1-CB 4.05Å; F133-P359 HydrophobicContact CE1-CG 4.1Å; F133-P359 HydrophobicContact CE2-CB 4.25Å; F133-P359 HydrophobicContact CZ-CB 3.9Å; F133-P359 HydrophobicContact CZ-CG 3.95Å |
| 134 | T | 69.7 | Low | 70.9 | Confident | 25 Ų | 25 | 55.6 Ų | 55.6 | 15% | 0.153 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 179.1 | -60.8 | 0 | 0 | 0 | 0 | 110.6 | A130 E131 G132 L138 | A130-T134 WeakPolarHBondContact O-CB 3.48Å; A130-T134 PolarHBondContact O-N 3.24Å; A130-T134 PolarHBondContact O-OG1 2.98Å; E131-T134 PolarHBondContact O-N 2.97Å; G132-T134 PolarHBondContact O-N 3.36Å; T134-L138 HydrophobicContact CG2-CD1 3.26Å; T134-L138 HydrophobicContact CG2-CG 3.67Å; T134-L138 WeakPolarHBondContact O-CA 3.26Å; T134-L138 WeakPolarHBondContact O-CB 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.22Å; T134-L138 PolarHBondContact O-N 3.09Å |
| 135 | R | 69.1 | Low | 70.9 | Confident | 128 Ų | 128 | 54.5 Ų | 54.5 | 48% | 0.483 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.3 | -50 | 176.2 | -78.5 | 176.7 | -174.9 | 178 | 5.5 | 110.8 | E131 G132 N139 | E131-R135 VanDerWaalsContact O-CB 3.28Å; E131-R135 WeakPolarHBondContact O-CB 3.43Å; E131-R135 WeakPolarHBondContact O-CG 3.25Å; E131-R135 PolarHBondContact O-N 2.72Å; G132-R135 PolarHBondContact O-N 3.28Å; R135-N139 WeakPolarHBondContact O-CB 3.42Å; R135-N139 PolarHBondContact O-N 3.45Å |
| 136 | T | 69.1 | Low | 70.9 | Confident | 40 Ų | 40 | 57.6 Ų | 57.6 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -72.5 | -33.4 | -178.1 | -40.3 | 0 | 0 | 0 | 0 | 112.5 | G132 F133 F357 N358 | G132-T136 PolarHBondContact O-N 3.19Å; G132-T136 PolarHBondContact O-OG1 3.18Å; G132-T136 VanDerWaalsContact O-OG1 3.05Å; F133-T136 PolarHBondContact O-N 3.23Å; T136-F357 HydrophobicContact CG2-CB 3.86Å; T136-N358 PolarHBondContact OG1-O 3.42Å |
| 137 | L | 68.8 | Low | 71.1 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 36% | 0.361 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -70.9 | -49.1 | 174.1 | -173 | 90 | 0 | 0 | 0 | 111.7 | F133 N139 S140 W355 F357 | F133-L137 WeakPolarHBondContact O-CA 3.12Å; F133-L137 WeakPolarHBondContact O-CB 3.38Å; F133-L137 PolarHBondContact O-N 3.34Å; L137-N139 VanDerWaalsContact C-N 3.3Å; L137-N139 PolarHBondContact O-N 3.34Å; L137-S140 WeakPolarHBondContact O-CB 3.16Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.33Å; L137-W355 HydrophobicContact CD1-CZ2 4.16Å; L137-F357 HydrophobicContact CD1-CD1 4.19Å; L137-F357 HydrophobicContact CD1-CE1 4.38Å |
| 138 | L | 64.4 | Low | 71.2 | Confident | 28 Ų | 28 | 52.1 Ų | 52.1 | 15% | 0.147 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -77.2 | -17.1 | -179.4 | -56.2 | -176.8 | 0 | 0 | 0 | 112.6 | T134 S140 V180 V183 R184 | T134-L138 HydrophobicContact CG2-CD1 3.26Å; T134-L138 HydrophobicContact CG2-CG 3.67Å; T134-L138 WeakPolarHBondContact O-CA 3.26Å; T134-L138 WeakPolarHBondContact O-CB 3.27Å; T134-L138 WeakPolarHBondContact O-CG 3.22Å; T134-L138 PolarHBondContact O-N 3.09Å; L138-S140 PolarHBondContact O-N 3.48Å; L138-V180 HydrophobicContact CB-CB 4.16Å; L138-V180 HydrophobicContact CB-CG1 3.74Å; L138-V180 HydrophobicContact CD1-CB 4.37Å; L138-V180 HydrophobicContact CD1-CG1 3.68Å; L138-V180 HydrophobicContact CD2-CB 4.49Å; L138-V180 HydrophobicContact CD2-CG1 3.24Å; L138-V180 HydrophobicContact CG-CG1 3.67Å; L138-V183 HydrophobicContact CD1-CB 4.29Å; L138-V183 HydrophobicContact CD1-CG1 4.14Å; L138-V183 HydrophobicContact CD2-CG1 4.2Å; L138-R184 HydrophobicContact CD1-CB 4.32Å |
| 139 | N | 62.1 | Low | 71.3 | Confident | 118 Ų | 118 | 57.1 Ų | 57.1 | 63% | 0.631 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 12.6 | 167.8 | -158.5 | 33.5 | 0 | 0 | 0 | 112.4 | R135 L137 S141 | R135-N139 WeakPolarHBondContact O-CB 3.42Å; R135-N139 PolarHBondContact O-N 3.45Å; L137-N139 VanDerWaalsContact C-N 3.3Å; L137-N139 PolarHBondContact O-N 3.34Å; N139-S141 PolarHBondContact O-N 3.2Å |
| 140 | S | 62.5 | Low | 71.6 | Confident | 14 Ų | 14 | 57.6 Ų | 57.6 | 10% | 0.098 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | 30.1 | 171.1 | 75.2 | 0 | 0 | 0 | 0 | 113.4 | L137 L138 E142 P143 F144 | L137-S140 WeakPolarHBondContact O-CB 3.16Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.33Å; L138-S140 PolarHBondContact O-N 3.48Å; S140-E142 PolarHBondContact O-N 2.86Å; S140-P143 VanDerWaalsContact O-CD 3.23Å; S140-P143 WeakPolarHBondContact O-CD 3.39Å; S140-P143 WeakPolarHBondContact O-CG 3.48Å; S140-F144 PolarHBondContact O-N 3.1Å |
| 141 | S | 65.5 | Low | 71.8 | Confident | 64 Ų | 64 | 59 Ų | 59 | 45% | 0.448 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.1 | -31.6 | 177.7 | 61.7 | 0 | 0 | 0 | 0 | 111 | N139 N145 | N139-S141 PolarHBondContact O-N 3.2Å; S141-N145 WeakPolarHBondContact O-CB 3.33Å; S141-N145 PolarHBondContact O-N 3.05Å; S141-N145 PolarHBondContact O-ND2 3.5Å |
| 142 | E | 70.3 | Confident | 72 | Confident | 145 Ų | 145 | 57.1 Ų | 57.1 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -64 | -57.5 | -179.9 | -170.9 | 168.1 | -155 | 0 | 0 | 113.6 | S140 F144 N145 E146 | S140-E142 PolarHBondContact O-N 2.86Å; E142-F144 PolarHBondContact O-N 3.03Å; E142-N145 PolarHBondContact O-N 3.38Å; E142-E146 WeakPolarHBondContact O-CB 3.23Å; E142-E146 PolarHBondContact O-N 2.87Å |
| 143 | P | 74.6 | Confident | 72.2 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 10% | 0.097 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66 | -33.1 | 179 | 24 | -35.4 | 0 | 0 | 0 | 113.5 | S140 E146 A147 W355 | S140-P143 VanDerWaalsContact O-CD 3.23Å; S140-P143 WeakPolarHBondContact O-CD 3.39Å; S140-P143 WeakPolarHBondContact O-CG 3.48Å; P143-E146 PolarHBondContact O-N 3.28Å; P143-A147 VanDerWaalsContact O-CB 3.31Å; P143-A147 WeakPolarHBondContact O-CB 3.32Å; P143-A147 PolarHBondContact O-N 3.42Å; P143-W355 HydrophobicContact CB-CE3 4.38Å; P143-W355 HydrophobicContact CG-CB 4.14Å; P143-W355 HydrophobicContact CG-CD2 4.23Å; P143-W355 HydrophobicContact CG-CE3 4.27Å; P143-W355 HydrophobicContact CG-CG 4.2Å |
| 144 | F | 73.9 | Confident | 72.4 | Confident | 95 Ų | 95 | 62.3 Ų | 62.3 | 42% | 0.417 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -68.2 | -42.1 | 174.2 | -91.6 | -84 | 0 | 0 | 0 | 112.2 | S140 E142 E146 K148 I321 | S140-F144 PolarHBondContact O-N 3.1Å; E142-F144 PolarHBondContact O-N 3.03Å; F144-E146 VanDerWaalsContact C-N 3.33Å; F144-K148 WeakPolarHBondContact O-CB 3.28Å; F144-K148 PolarHBondContact O-N 3.26Å; F144-I321 HydrophobicContact CD1-CD1 4.26Å; F144-I321 HydrophobicContact CD2-CD1 4.04Å; F144-I321 HydrophobicContact CE1-CD1 3.76Å; F144-I321 HydrophobicContact CE2-CD1 3.52Å; F144-I321 HydrophobicContact CG-CD1 4.4Å; F144-I321 HydrophobicContact CZ-CD1 3.37Å |
| 145 | N | 75.4 | Confident | 72.5 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 28% | 0.283 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -69.4 | -33.7 | 175.9 | -75.8 | -44.1 | 0 | 0 | 0 | 111.7 | S141 E142 R149 | S141-N145 WeakPolarHBondContact O-CB 3.33Å; S141-N145 PolarHBondContact O-N 3.05Å; S141-N145 PolarHBondContact O-ND2 3.5Å; E142-N145 PolarHBondContact O-N 3.38Å; N145-R149 WeakPolarHBondContact O-CB 3.44Å; N145-R149 VanDerWaalsContact O-CG 3.3Å; N145-R149 WeakPolarHBondContact O-CG 3.39Å; N145-R149 PolarHBondContact O-N 2.92Å |
| 146 | E | 78 | Confident | 72.5 | Confident | 76 Ų | 76 | 58.2 Ų | 58.2 | 36% | 0.355 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -65.5 | -48.8 | 173.1 | -166.4 | 180 | 172.4 | 0 | 0 | 111.3 | E142 P143 F144 K148 R149 D150 Y353 | E142-E146 WeakPolarHBondContact O-CB 3.23Å; E142-E146 PolarHBondContact O-N 2.87Å; P143-E146 PolarHBondContact O-N 3.28Å; F144-E146 VanDerWaalsContact C-N 3.33Å; E146-K148 VanDerWaalsContact C-N 3.27Å; E146-K148 PolarHBondContact O-N 3.46Å; E146-R149 PolarHBondContact O-N 3.49Å; E146-R149 VanDerWaalsContact O-N 3.13Å; E146-D150 WeakPolarHBondContact O-CB 3.42Å; E146-D150 PolarHBondContact O-N 3.13Å; E146-Y353 HydrophobicContact CB-CD1 4.42Å; E146-Y353 HydrophobicContact CB-CE1 4.45Å; E146-Y353 HydrophobicContact CG-CD1 4.32Å; E146-Y353 HydrophobicContact CG-CE1 4.1Å |
| 147 | A | 78.1 | Confident | 72.5 | Confident | 10 Ų | 10 | 64.2 Ų | 64.2 | 8% | 0.083 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.3 | -39.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | P143 L151 V323 Y353 | P143-A147 VanDerWaalsContact O-CB 3.31Å; P143-A147 WeakPolarHBondContact O-CB 3.32Å; P143-A147 PolarHBondContact O-N 3.42Å; A147-L151 VanDerWaalsContact O-CB 3.26Å; A147-L151 WeakPolarHBondContact O-CB 3.47Å; A147-L151 PolarHBondContact O-N 3.41Å; A147-L151 VanDerWaalsContact O-N 3.09Å; A147-V323 HydrophobicContact CB-CG2 4.3Å; A147-Y353 HydrophobicContact CB-CD1 4.05Å; A147-Y353 HydrophobicContact CB-CD2 3.6Å; A147-Y353 HydrophobicContact CB-CE1 3.97Å; A147-Y353 HydrophobicContact CB-CE2 3.53Å; A147-Y353 HydrophobicContact CB-CG 3.87Å |
| 148 | K | 75.8 | Confident | 72.3 | Confident | 42 Ų | 42 | 63.3 Ų | 63.3 | 18% | 0.183 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -49.5 | 173.6 | -177 | -172.4 | 62.4 | 148.5 | 0 | 111.6 | F144 E146 D150 L151 V152 D173 | F144-K148 WeakPolarHBondContact O-CB 3.28Å; F144-K148 PolarHBondContact O-N 3.26Å; E146-K148 VanDerWaalsContact C-N 3.27Å; E146-K148 PolarHBondContact O-N 3.46Å; K148-D150 PolarHBondContact O-N 3.04Å; K148-L151 PolarHBondContact O-N 3.09Å; K148-V152 VanDerWaalsContact O-CG2 3.3Å; K148-V152 WeakPolarHBondContact O-CG2 3.44Å; K148-V152 PolarHBondContact O-N 2.87Å; K148-D173 WeakPolarHBondContact CE-OD1 3.38Å; K148-D173 PolarHBondContact NZ-O 3.43Å; K148-D173 IonicContact NZ-OD1 3.38Å; K148-D173 PolarHBondContact NZ-OD1 3.35Å |
| 149 | R | 77.3 | Confident | 72.2 | Confident | 126 Ų | 126 | 64.6 Ų | 64.6 | 48% | 0.475 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | -179.5 | -80.6 | -172.7 | -60.8 | -105.5 | 0.6 | 111.4 | N145 E146 L151 V152 E153 | N145-R149 WeakPolarHBondContact O-CB 3.44Å; N145-R149 VanDerWaalsContact O-CG 3.3Å; N145-R149 WeakPolarHBondContact O-CG 3.39Å; N145-R149 PolarHBondContact O-N 2.92Å; E146-R149 PolarHBondContact O-N 3.49Å; E146-R149 VanDerWaalsContact O-N 3.13Å; R149-L151 PolarHBondContact O-N 3.08Å; R149-V152 PolarHBondContact O-N 3.37Å; R149-E153 WeakPolarHBondContact O-CB 3.32Å; R149-E153 PolarHBondContact O-N 3.27Å |
| 150 | D | 80.3 | Confident | 71.9 | Confident | 31 Ų | 31 | 70 Ų | 70 | 17% | 0.166 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 179.9 | -74.4 | 3.9 | 0 | 0 | 0 | 112 | E146 K148 V152 E153 E154 F349 K351 Y353 | E146-D150 WeakPolarHBondContact O-CB 3.42Å; E146-D150 PolarHBondContact O-N 3.13Å; K148-D150 PolarHBondContact O-N 3.04Å; D150-V152 VanDerWaalsContact C-N 3.33Å; D150-V152 PolarHBondContact O-N 3.34Å; D150-E153 PolarHBondContact O-N 2.9Å; D150-E154 VanDerWaalsContact O-CB 3.31Å; D150-E154 WeakPolarHBondContact O-CB 3.36Å; D150-E154 PolarHBondContact O-N 3.26Å; D150-F349 HydrophobicContact CB-CZ 4.11Å; D150-K351 WeakPolarHBondContact OD2-CE 3.23Å; D150-K351 IonicContact OD2-NZ 3.61Å; D150-K351 PolarHBondContact OD2-NZ 2.86Å; D150-Y353 WeakPolarHBondContact CB-OH 3.22Å; D150-Y353 WeakPolarHBondContact OD2-CE1 3.4Å; D150-Y353 PolarHBondContact OD2-OH 2.85Å |
| 151 | L | 76.6 | Confident | 71.5 | Confident | 59 Ų | 59 | 78.2 Ų | 78.2 | 31% | 0.309 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.9 | -43.3 | 174.4 | 179.2 | 64.1 | 0 | 0 | 0 | 111.5 | A147 K148 R149 A155 Y325 | A147-L151 VanDerWaalsContact O-CB 3.26Å; A147-L151 WeakPolarHBondContact O-CB 3.47Å; A147-L151 PolarHBondContact O-N 3.41Å; A147-L151 VanDerWaalsContact O-N 3.09Å; K148-L151 PolarHBondContact O-N 3.09Å; R149-L151 PolarHBondContact O-N 3.08Å; L151-A155 VanDerWaalsContact O-CB 3.28Å; L151-A155 WeakPolarHBondContact O-CB 3.35Å; L151-A155 PolarHBondContact O-N 3.13Å; L151-A155 VanDerWaalsContact O-N 3.11Å; L151-Y325 HydrophobicContact CD1-CD1 3.35Å; L151-Y325 HydrophobicContact CD1-CE1 3.41Å; L151-Y325 VanDerWaalsContact CD1-CE1 3.41Å; L151-Y325 HydrophobicContact CD1-CG 4.22Å |
| 152 | V | 76.4 | Confident | 70.9 | Confident | 10 Ų | 10 | 79.2 Ų | 79.2 | 6% | 0.061 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.4 | -42.8 | 179.1 | 172 | 0 | 0 | 0 | 0 | 111.1 | K148 R149 D150 A155 I156 D173 | K148-V152 VanDerWaalsContact O-CG2 3.3Å; K148-V152 WeakPolarHBondContact O-CG2 3.44Å; K148-V152 PolarHBondContact O-N 2.87Å; R149-V152 PolarHBondContact O-N 3.37Å; D150-V152 VanDerWaalsContact C-N 3.33Å; D150-V152 PolarHBondContact O-N 3.34Å; V152-A155 PolarHBondContact O-N 3.49Å; V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.36Å; V152-I156 WeakPolarHBondContact O-CB 3.41Å; V152-I156 WeakPolarHBondContact O-CD1 3.42Å; V152-I156 WeakPolarHBondContact O-CG1 3.37Å; V152-I156 PolarHBondContact O-N 2.72Å; V152-D173 HydrophobicContact CG1-CB 4.41Å; V152-D173 HydrophobicContact CG2-CB 4.25Å |
| 153 | E | 77.1 | Confident | 70.2 | Confident | 102 Ų | 102 | 78.8 Ų | 78.8 | 48% | 0.477 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.8 | -47.1 | 177.8 | -173.1 | 179.2 | 164.3 | 0 | 0 | 111.3 | R149 D150 A155 I156 R157 | R149-E153 WeakPolarHBondContact O-CB 3.32Å; R149-E153 PolarHBondContact O-N 3.27Å; D150-E153 PolarHBondContact O-N 2.9Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.27Å; E153-I156 PolarHBondContact O-N 2.93Å; E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.23Å; E153-R157 IonicContact OE1-CZ 3.74Å; E153-R157 IonicContact OE1-NE 3.7Å; E153-R157 PolarHBondContact OE1-NE 3.35Å; E153-R157 IonicContact OE1-NH2 3.66Å; E153-R157 PolarHBondContact OE1-NH2 3.1Å |
| 154 | E | 75.4 | Confident | 69.4 | Low | 58 Ų | 58 | 81.2 Ų | 81.2 | 27% | 0.271 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66.2 | -37.5 | -179 | -165 | 67.5 | -167.1 | 0 | 0 | 111.5 | D150 R157 Y325 I347 F349 | D150-E154 VanDerWaalsContact O-CB 3.31Å; D150-E154 WeakPolarHBondContact O-CB 3.36Å; D150-E154 PolarHBondContact O-N 3.26Å; E154-R157 PolarHBondContact O-N 3.44Å; E154-Y325 HydrophobicContact CB-CE1 4.48Å; E154-Y325 VanDerWaalsContact CB-OH 3.24Å; E154-Y325 WeakPolarHBondContact CB-OH 3.39Å; E154-Y325 HydrophobicContact CG-CE1 4.5Å; E154-Y325 WeakPolarHBondContact CG-OH 3.25Å; E154-I347 HydrophobicContact CG-CG2 4.29Å; E154-F349 HydrophobicContact CB-CD2 4.11Å; E154-F349 HydrophobicContact CB-CE2 4.37Å; E154-F349 HydrophobicContact CG-CB 4.43Å; E154-F349 HydrophobicContact CG-CD2 3.76Å; E154-F349 HydrophobicContact CG-CE2 4.44Å; E154-F349 HydrophobicContact CG-CG 4.41Å |
| 155 | A | 71.9 | Confident | 68.7 | Low | 15 Ų | 15 | 80.3 Ų | 80.3 | 12% | 0.124 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67.1 | -35.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L151 V152 E153 L169 | L151-A155 VanDerWaalsContact O-CB 3.28Å; L151-A155 WeakPolarHBondContact O-CB 3.35Å; L151-A155 PolarHBondContact O-N 3.13Å; L151-A155 VanDerWaalsContact O-N 3.11Å; V152-A155 PolarHBondContact O-N 3.49Å; E153-A155 VanDerWaalsContact C-N 3.33Å; E153-A155 PolarHBondContact O-N 3.27Å; A155-L169 HydrophobicContact CB-CD1 3.5Å; A155-L169 VanDerWaalsContact CB-CD1 3.5Å |
| 156 | I | 70 | Confident | 68 | Low | 52 Ų | 52 | 78.6 Ų | 78.6 | 27% | 0.267 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 176.2 | -71.6 | 169.4 | 0 | 0 | 0 | 111.7 | V152 E153 V158 V166 R170 | V152-I156 HydrophobicContact CG1-CD1 3.64Å; V152-I156 HydrophobicContact CG1-CG1 4.36Å; V152-I156 WeakPolarHBondContact O-CB 3.41Å; V152-I156 WeakPolarHBondContact O-CD1 3.42Å; V152-I156 WeakPolarHBondContact O-CG1 3.37Å; V152-I156 PolarHBondContact O-N 2.72Å; E153-I156 PolarHBondContact O-N 2.93Å; I156-V158 PolarHBondContact O-N 3.06Å; I156-V166 HydrophobicContact CG1-CG1 4.12Å; I156-R170 HydrophobicContact CD1-CG 4.08Å |
| 157 | R | 69.2 | Low | 67.2 | Low | 166 Ų | 166 | 78 Ų | 78 | 63% | 0.626 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.1 | -31.8 | -178.4 | -81.9 | 177.4 | 168.9 | -149.7 | -1.9 | 113.6 | E153 E154 | E153-R157 WeakPolarHBondContact O-CG 3.26Å; E153-R157 PolarHBondContact O-N 3.23Å; E153-R157 IonicContact OE1-CZ 3.74Å; E153-R157 IonicContact OE1-NE 3.7Å; E153-R157 PolarHBondContact OE1-NE 3.35Å; E153-R157 IonicContact OE1-NH2 3.66Å; E153-R157 PolarHBondContact OE1-NH2 3.1Å; E154-R157 PolarHBondContact O-N 3.44Å |
| 158 | V | 63.8 | Low | 66.5 | Low | 51 Ų | 51 | 82.1 Ų | 82.1 | 31% | 0.309 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -97.4 | -26.4 | -168.6 | 174.9 | 0 | 0 | 0 | 0 | 112.4 | I156 R160 L346 I347 | I156-V158 PolarHBondContact O-N 3.06Å; V158-R160 PolarHBondContact O-N 2.94Å; V158-L346 HydrophobicContact CG1-CB 4.47Å; V158-L346 HydrophobicContact CG1-CD2 3.39Å; V158-L346 HydrophobicContact CG1-CG 3.55Å; V158-I347 HydrophobicContact CB-CD1 3.67Å; V158-I347 HydrophobicContact CB-CG1 4.06Å; V158-I347 HydrophobicContact CG1-CD1 3.77Å; V158-I347 HydrophobicContact CG1-CG1 3.79Å; V158-I347 HydrophobicContact CG2-CD1 3.72Å; V158-I347 HydrophobicContact CG2-CG1 3.82Å |
| 159 | Q | 62.8 | Low | 66.1 | Low | 54 Ų | 54 | 82 Ų | 82 | 25% | 0.252 | 40% | 0.396 | S | S | . | . | trans | -107.1 | 68.6 | -172.6 | -155.7 | 154.7 | 23.9 | 0 | 0 | 112 | E161 D162 V166 | Q159-E161 VanDerWaalsContact C-N 3.3Å; Q159-D162 HydrophobicContact CG-CB 3.86Å; Q159-V166 HydrophobicContact CB-CG2 4.1Å; Q159-V166 WeakPolarHBondContact O-CG2 3.32Å | ||
| 160 | R | 54.2 | Low | 65.4 | Low | 233 Ų | 233 | 83.2 Ų | 83.2 | 88% | 0.879 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -74 | -19.2 | 176.1 | -117.9 | -174.6 | -151.5 | 172 | 7.7 | 113.9 | V158 | V158-R160 PolarHBondContact O-N 2.94Š|
| 161 | E | 54.5 | Low | 64.7 | Low | 186 Ų | 186 | 87.3 Ų | 87.3 | 87% | 0.869 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -104.9 | -25.4 | -168.8 | -64.7 | -176.8 | 170.3 | 0 | 0 | 114 | Q159 | Q159-E161 VanDerWaalsContact C-N 3.3Š|
| 162 | D | 53.8 | Low | 64.2 | Low | 85 Ų | 85 | 88.2 Ų | 88.2 | 46% | 0.455 | 42% | 0.422 | S | S | . | . | trans | -105.9 | 93.8 | 176.8 | -95.6 | -30.6 | 0 | 0 | 0 | 111.8 | Q159 S164 | Q159-D162 HydrophobicContact CG-CB 3.86Å; D162-S164 PolarHBondContact O-N 3.33Å; D162-S164 VanDerWaalsContact O-N 3.11Å | ||
| 163 | L | 54.6 | Low | 63.7 | Low | 136 Ų | 136 | 90.7 Ų | 90.7 | 71% | 0.712 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59.7 | -21.7 | -178.1 | -109.8 | 84.2 | 0 | 0 | 0 | 114.2 | T167 | L163-T167 WeakPolarHBondContact O-CB 3.3Å; L163-T167 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-OG1 3.21Å |
| 164 | S | 57.5 | Low | 63 | Low | 66 Ų | 66 | 93.2 Ų | 93.2 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -75.9 | -38.2 | -169.9 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | D162 T167 N168 | D162-S164 PolarHBondContact O-N 3.33Å; D162-S164 VanDerWaalsContact O-N 3.11Å; S164-T167 WeakPolarHBondContact CA-OG1 3.47Å; S164-T167 PolarHBondContact O-OG1 2.95Å; S164-T167 VanDerWaalsContact O-OG1 3.05Å; S164-N168 PolarHBondContact O-N 3.07Å; S164-N168 VanDerWaalsContact O-N 3.14Å; S164-N168 PolarHBondContact O-ND2 3.21Å; S164-N168 VanDerWaalsContact O-ND2 3.08Å |
| 165 | I | 59.8 | Low | 62 | Low | 76 Ų | 76 | 97.8 Ų | 97.8 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -75.7 | -42.2 | 178 | -59.5 | -168 | 0 | 0 | 0 | 110.2 | T167 N168 L169 | I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.37Å; I165-N168 PolarHBondContact O-N 3.42Å; I165-L169 HydrophobicContact CG2-CD1 3.79Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3.46Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.34Å |
| 166 | V | 60.3 | Low | 61.3 | Low | 16 Ų | 16 | 99.9 Ų | 99.9 | 10% | 0.097 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -59.7 | -40.5 | 174.4 | 170.6 | 0 | 0 | 0 | 0 | 111.7 | I156 Q159 R170 | I156-V166 HydrophobicContact CG1-CG1 4.12Å; Q159-V166 HydrophobicContact CB-CG2 4.1Å; Q159-V166 WeakPolarHBondContact O-CG2 3.32Å; V166-R170 WeakPolarHBondContact O-CB 3.35Å; V166-R170 WeakPolarHBondContact O-CG 3.26Å; V166-R170 PolarHBondContact O-N 3.23Å |
| 167 | T | 61 | Low | 60.7 | Low | 63 Ų | 63 | 105.3 Ų | 105.3 | 39% | 0.387 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 175.7 | 35.7 | 0 | 0 | 0 | 0 | 112.6 | L163 S164 I165 K171 | L163-T167 WeakPolarHBondContact O-CB 3.3Å; L163-T167 PolarHBondContact O-N 3.47Å; L163-T167 PolarHBondContact O-OG1 3.21Å; S164-T167 WeakPolarHBondContact CA-OG1 3.47Å; S164-T167 PolarHBondContact O-OG1 2.95Å; S164-T167 VanDerWaalsContact O-OG1 3.05Å; I165-T167 VanDerWaalsContact C-N 3.31Å; I165-T167 PolarHBondContact O-N 3.37Å; T167-K171 WeakPolarHBondContact O-CB 3.42Å; T167-K171 VanDerWaalsContact O-CG 3.24Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.17Å |
| 168 | N | 65.4 | Low | 60.4 | Low | 98 Ų | 98 | 101.8 Ų | 101.8 | 52% | 0.524 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.1 | -35.3 | 175.7 | -73.7 | -32.9 | 0 | 0 | 0 | 112.9 | S164 I165 K171 L172 | S164-N168 PolarHBondContact O-N 3.07Å; S164-N168 VanDerWaalsContact O-N 3.14Å; S164-N168 PolarHBondContact O-ND2 3.21Å; S164-N168 VanDerWaalsContact O-ND2 3.08Å; I165-N168 PolarHBondContact O-N 3.42Å; N168-K171 WeakPolarHBondContact O-CB 3.3Å; N168-K171 PolarHBondContact O-N 2.86Å; N168-L172 PolarHBondContact O-N 2.8Å |
| 169 | L | 65.8 | Low | 60.4 | Low | 39 Ų | 39 | 104.4 Ų | 104.4 | 20% | 0.204 | 51% | 0.51 | C | S | . | . | H | α-helix | trans | -75.2 | -37 | 176.2 | -69.9 | 172.8 | 0 | 0 | 0 | 112.7 | A155 I165 K171 L172 D173 | A155-L169 HydrophobicContact CB-CD1 3.5Å; A155-L169 VanDerWaalsContact CB-CD1 3.5Å; I165-L169 HydrophobicContact CG2-CD1 3.79Å; I165-L169 HydrophobicContact CG2-CG 4.27Å; I165-L169 WeakPolarHBondContact O-CB 3.46Å; I165-L169 WeakPolarHBondContact O-CG 3.3Å; I165-L169 PolarHBondContact O-N 3.34Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.39Å; L169-L172 HydrophobicContact CD2-CD2 4.16Å; L169-L172 VanDerWaalsContact O-CB 3.31Å; L169-L172 WeakPolarHBondContact O-CB 3.28Å; L169-L172 PolarHBondContact O-N 3.08Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L169-D173 PolarHBondContact O-N 3.48Å |
| 170 | R | 64.3 | Low | 60.7 | Low | 151 Ų | 151 | 103.8 Ų | 103.8 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.6 | -36.4 | 168.1 | -80.3 | -174.7 | -172 | 169.5 | 4.2 | 112 | I156 V166 D173 H174 | I156-R170 HydrophobicContact CD1-CG 4.08Å; V166-R170 WeakPolarHBondContact O-CB 3.35Å; V166-R170 WeakPolarHBondContact O-CG 3.26Å; V166-R170 PolarHBondContact O-N 3.23Å; R170-D173 PolarHBondContact O-N 3.4Å; R170-H174 PolarHBondContact O-N 3.18Å |
| 171 | K | 64.5 | Low | 61.4 | Low | 117 Ų | 117 | 95.5 Ų | 95.5 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.2 | -42.5 | 170.5 | -77 | 177.8 | -178.7 | 177.7 | 0 | 110.9 | T167 N168 L169 D173 H174 F175 | T167-K171 WeakPolarHBondContact O-CB 3.42Å; T167-K171 VanDerWaalsContact O-CG 3.24Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.17Å; N168-K171 WeakPolarHBondContact O-CB 3.3Å; N168-K171 PolarHBondContact O-N 2.86Å; L169-K171 VanDerWaalsContact C-N 3.27Å; L169-K171 PolarHBondContact O-N 3.39Å; K171-D173 VanDerWaalsContact C-N 3.32Å; K171-D173 PolarHBondContact O-N 2.88Å; K171-H174 PolarHBondContact O-N 2.89Å; K171-H174 VanDerWaalsContact O-N 3.12Å; K171-F175 HydrophobicContact CB-CD2 3.91Å; K171-F175 HydrophobicContact CB-CE2 4.13Å; K171-F175 HydrophobicContact CG-CD2 4.33Å; K171-F175 HydrophobicContact CG-CE2 4.03Å; K171-F175 WeakPolarHBondContact O-CB 3.43Å; K171-F175 WeakPolarHBondContact O-CD2 3.33Å; K171-F175 PolarHBondContact O-N 2.95Å |
| 172 | L | 65.3 | Low | 62.2 | Low | 79 Ų | 79 | 93.9 Ų | 93.9 | 41% | 0.414 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 176 | -168.5 | 73 | 0 | 0 | 0 | 111.4 | N168 L169 H174 F175 T176 | N168-L172 PolarHBondContact O-N 2.8Å; L169-L172 HydrophobicContact CD2-CD2 4.16Å; L169-L172 VanDerWaalsContact O-CB 3.31Å; L169-L172 WeakPolarHBondContact O-CB 3.28Å; L169-L172 PolarHBondContact O-N 3.08Å; L169-L172 VanDerWaalsContact O-N 3.13Å; L172-H174 VanDerWaalsContact C-N 3.26Å; L172-H174 PolarHBondContact O-N 3.43Å; L172-F175 PolarHBondContact O-N 3.3Å; L172-T176 HydrophobicContact CD1-CG2 3.56Å; L172-T176 HydrophobicContact CG-CG2 4.2Å; L172-T176 PolarHBondContact O-N 2.94Å; L172-T176 PolarHBondContact O-OG1 2.61Å |
| 173 | D | 65.9 | Low | 62.9 | Low | 62 Ų | 62 | 93.1 Ų | 93.1 | 33% | 0.332 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.2 | -36.9 | 176.4 | -172.5 | 40.6 | 0 | 0 | 0 | 113 | K148 V152 L169 R170 K171 | K148-D173 WeakPolarHBondContact CE-OD1 3.38Å; K148-D173 PolarHBondContact NZ-O 3.43Å; K148-D173 IonicContact NZ-OD1 3.38Å; K148-D173 PolarHBondContact NZ-OD1 3.35Å; V152-D173 HydrophobicContact CG1-CB 4.41Å; V152-D173 HydrophobicContact CG2-CB 4.25Å; L169-D173 PolarHBondContact O-N 3.48Å; R170-D173 PolarHBondContact O-N 3.4Å; K171-D173 VanDerWaalsContact C-N 3.32Å; K171-D173 PolarHBondContact O-N 2.88Å |
| 174 | H | 63.7 | Low | 63.5 | Low | 155 Ų | 155 | 93.1 Ų | 93.1 | 72% | 0.718 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -83.9 | -32.6 | -176.6 | -157.1 | 60.3 | 0 | 0 | 0 | 114.2 | R170 K171 L172 | R170-H174 PolarHBondContact O-N 3.18Å; K171-H174 PolarHBondContact O-N 2.89Å; K171-H174 VanDerWaalsContact O-N 3.12Å; L172-H174 VanDerWaalsContact C-N 3.26Å; L172-H174 PolarHBondContact O-N 3.43Å |
| 175 | F | 54.2 | Low | 64.2 | Low | 154 Ų | 154 | 93.8 Ų | 93.8 | 68% | 0.675 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -99.8 | -22.8 | -170.3 | -73.6 | -67.8 | 0 | 0 | 0 | 115.2 | K171 L172 H177 | K171-F175 HydrophobicContact CB-CD2 3.91Å; K171-F175 HydrophobicContact CB-CE2 4.13Å; K171-F175 HydrophobicContact CG-CD2 4.33Å; K171-F175 HydrophobicContact CG-CE2 4.03Å; K171-F175 WeakPolarHBondContact O-CB 3.43Å; K171-F175 WeakPolarHBondContact O-CD2 3.33Å; K171-F175 PolarHBondContact O-N 2.95Å; L172-F175 PolarHBondContact O-N 3.3Å; F175-H177 PolarHBondContact O-N 2.7Å |
| 176 | T | 56.1 | Low | 64.9 | Low | 58 Ų | 58 | 93.9 Ų | 93.9 | 36% | 0.356 | 48% | 0.477 | S | S | . | . | trans | -87.5 | 90.2 | -179.7 | 62.8 | 0 | 0 | 0 | 0 | 110.8 | L172 | L172-T176 HydrophobicContact CD1-CG2 3.56Å; L172-T176 HydrophobicContact CG-CG2 4.2Å; L172-T176 PolarHBondContact O-N 2.94Å; L172-T176 PolarHBondContact O-OG1 2.61Å | ||
| 177 | H | 58.8 | Low | 65.3 | Low | 167 Ų | 167 | 98 Ų | 98 | 77% | 0.773 | 49% | 0.494 | S | S | * | . | trans | -83.3 | 115.7 | 164.5 | -169.2 | 74.3 | 0 | 0 | 0 | 108.8 | F175 D179 | F175-H177 PolarHBondContact O-N 2.7Å; H177-D179 PolarHBondContact O-N 3.41Å | ||
| 178 | V | 62.9 | Low | 65.8 | Low | 92 Ų | 92 | 98 Ų | 98 | 56% | 0.558 | 50% | 0.497 | S | S | * | . | trans | -82.1 | 96.3 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 179 | D | 63.4 | Low | 66.4 | Low | 106 Ų | 106 | 100.3 Ų | 100.3 | 57% | 0.567 | 50% | 0.502 | S | S | * | . | trans | -88 | 130.1 | 174.9 | -174.2 | 9.5 | 0 | 0 | 0 | 110.8 | H177 S181 | H177-D179 PolarHBondContact O-N 3.41Å; D179-S181 WeakPolarHBondContact OD1-CB 3.46Å; D179-S181 PolarHBondContact OD1-N 3.34Å; D179-S181 PolarHBondContact OD1-OG 2.95Å; D179-S181 VanDerWaalsContact OD1-OG 3.08Å; D179-S181 PolarHBondContact OD2-OG 3.5Å | ||
| 180 | V | 67.8 | Low | 66.8 | Low | 41 Ų | 41 | 102.2 Ų | 102.2 | 25% | 0.248 | 52% | 0.515 | C | S | . | . | trans | -112.9 | 13.4 | -178 | -143.9 | 0 | 0 | 0 | 0 | 112.3 | L138 V183 R184 | L138-V180 HydrophobicContact CB-CB 4.16Å; L138-V180 HydrophobicContact CB-CG1 3.74Å; L138-V180 HydrophobicContact CD1-CB 4.37Å; L138-V180 HydrophobicContact CD1-CG1 3.68Å; L138-V180 HydrophobicContact CD2-CB 4.49Å; L138-V180 HydrophobicContact CD2-CG1 3.24Å; L138-V180 HydrophobicContact CG-CG1 3.67Å; V180-V183 HydrophobicContact CG1-CB 4.35Å; V180-V183 HydrophobicContact CG1-CG2 4.44Å; V180-R184 PolarHBondContact O-N 3.41Å | ||
| 181 | S | 69.8 | Low | 67 | Low | 59 Ų | 59 | 96.2 Ų | 96.2 | 41% | 0.413 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | -177.5 | 68 | 0 | 0 | 0 | 0 | 114.1 | D179 R184 S185 | D179-S181 WeakPolarHBondContact OD1-CB 3.46Å; D179-S181 PolarHBondContact OD1-N 3.34Å; D179-S181 PolarHBondContact OD1-OG 2.95Å; D179-S181 VanDerWaalsContact OD1-OG 3.08Å; D179-S181 PolarHBondContact OD2-OG 3.5Å; S181-R184 WeakPolarHBondContact O-CB 3.32Å; S181-R184 PolarHBondContact O-N 3.07Å; S181-S185 PolarHBondContact O-N 2.91Å |
| 182 | E | 72.1 | Confident | 67.3 | Low | 152 Ų | 152 | 92 Ų | 92 | 71% | 0.71 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.4 | -41.8 | -178.5 | -174.3 | 173.2 | -169.9 | 0 | 0 | 112.2 | R184 S185 T186 | E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.19Å; E182-S185 PolarHBondContact O-N 3.17Å; E182-T186 PolarHBondContact O-N 2.88Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.08Å |
| 183 | V | 67.3 | Low | 67.8 | Low | 68 Ų | 68 | 93.8 Ų | 93.8 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.8 | -44.9 | 174.3 | -178.9 | 0 | 0 | 0 | 0 | 109.8 | L138 V180 S185 T186 F187 | L138-V183 HydrophobicContact CD1-CB 4.29Å; L138-V183 HydrophobicContact CD1-CG1 4.14Å; L138-V183 HydrophobicContact CD2-CG1 4.2Å; V180-V183 HydrophobicContact CG1-CB 4.35Å; V180-V183 HydrophobicContact CG1-CG2 4.44Å; V183-S185 PolarHBondContact O-N 3.27Å; V183-T186 PolarHBondContact O-N 3.39Å; V183-F187 HydrophobicContact CG1-CD2 4.23Å; V183-F187 HydrophobicContact CG1-CE2 4.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.36Å; V183-F187 PolarHBondContact O-N 2.82Å |
| 184 | R | 67.2 | Low | 67.9 | Low | 137 Ų | 137 | 94.5 Ų | 94.5 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.7 | -46.5 | 175.4 | -174.1 | -172.9 | -61.3 | -148.6 | -0.6 | 112.1 | L138 V180 S181 E182 S188 | L138-R184 HydrophobicContact CD1-CB 4.32Å; V180-R184 PolarHBondContact O-N 3.41Å; S181-R184 WeakPolarHBondContact O-CB 3.32Å; S181-R184 PolarHBondContact O-N 3.07Å; E182-R184 VanDerWaalsContact C-N 3.32Å; E182-R184 PolarHBondContact O-N 3.19Å; R184-S188 PolarHBondContact O-N 2.92Å; R184-S188 VanDerWaalsContact O-N 3.17Å; R184-S188 PolarHBondContact O-OG 3.45Å |
| 185 | S | 72.9 | Confident | 68.2 | Low | 79 Ų | 79 | 92 Ų | 92 | 55% | 0.552 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.5 | -43.8 | -178.9 | -178.5 | 0 | 0 | 0 | 0 | 112.8 | S181 E182 V183 S188 K189 | S181-S185 PolarHBondContact O-N 2.91Å; E182-S185 PolarHBondContact O-N 3.17Å; V183-S185 PolarHBondContact O-N 3.27Å; S185-S188 PolarHBondContact O-N 2.84Å; S185-K189 PolarHBondContact O-N 3.31Å; S185-K189 VanDerWaalsContact O-N 3.09Å |
| 186 | T | 74.1 | Confident | 69.2 | Low | 78 Ų | 78 | 89.2 Ų | 89.2 | 48% | 0.479 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.9 | -44.6 | -179.4 | -59.8 | 0 | 0 | 0 | 0 | 111.6 | E182 V183 K189 V190 | E182-T186 PolarHBondContact O-N 2.88Å; E182-T186 PolarHBondContact O-OG1 3.37Å; E182-T186 VanDerWaalsContact O-OG1 3.08Å; V183-T186 PolarHBondContact O-N 3.39Å; T186-K189 PolarHBondContact O-N 2.99Å; T186-V190 PolarHBondContact O-N 3.32Å |
| 187 | F | 70 | Confident | 70.1 | Confident | 103 Ų | 103 | 91.9 Ų | 91.9 | 45% | 0.452 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 177.3 | -92.4 | -98.3 | 0 | 0 | 0 | 111.9 | V183 K189 V190 I191 | V183-F187 HydrophobicContact CG1-CD2 4.23Å; V183-F187 HydrophobicContact CG1-CE2 4.31Å; V183-F187 WeakPolarHBondContact O-CD2 3.36Å; V183-F187 PolarHBondContact O-N 2.82Å; F187-K189 VanDerWaalsContact C-N 3.27Å; F187-K189 PolarHBondContact O-N 3.5Å; F187-V190 PolarHBondContact O-N 3.39Å; F187-I191 WeakPolarHBondContact O-CB 3.45Å; F187-I191 VanDerWaalsContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 3.5Å; F187-I191 VanDerWaalsContact O-N 3.17Å |
| 188 | S | 70.3 | Confident | 70.7 | Confident | 64 Ų | 64 | 87.7 Ų | 87.7 | 45% | 0.448 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.1 | -36 | 177 | -64 | 0 | 0 | 0 | 0 | 113 | R184 S185 G192 | R184-S188 PolarHBondContact O-N 2.92Å; R184-S188 VanDerWaalsContact O-N 3.17Å; R184-S188 PolarHBondContact O-OG 3.45Å; S185-S188 PolarHBondContact O-N 2.84Å; S188-G192 PolarHBondContact O-N 3.47Å |
| 189 | K | 78.9 | Confident | 71 | Confident | 145 Ų | 145 | 86 Ų | 86 | 63% | 0.63 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.8 | -47.9 | 179.1 | -173.7 | 178.4 | 179.1 | 179.5 | 0 | 112.9 | S185 T186 F187 I191 G192 Q193 | S185-K189 PolarHBondContact O-N 3.31Å; S185-K189 VanDerWaalsContact O-N 3.09Å; T186-K189 PolarHBondContact O-N 2.99Å; F187-K189 VanDerWaalsContact C-N 3.27Å; F187-K189 PolarHBondContact O-N 3.5Å; K189-I191 VanDerWaalsContact C-N 3.27Å; K189-I191 PolarHBondContact O-N 2.89Å; K189-G192 PolarHBondContact O-N 3.42Å; K189-Q193 PolarHBondContact O-N 3.23Å |
| 190 | V | 73.8 | Confident | 71.5 | Confident | 80 Ų | 80 | 87 Ų | 87 | 49% | 0.485 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 178.6 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | T186 F187 Q193 I194 | T186-V190 PolarHBondContact O-N 3.32Å; F187-V190 PolarHBondContact O-N 3.39Å; V190-Q193 PolarHBondContact O-N 2.87Å; V190-I194 PolarHBondContact O-N 3.27Å |
| 191 | I | 67.6 | Low | 71.6 | Confident | 25 Ų | 25 | 87.1 Ų | 87.1 | 13% | 0.128 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -65.3 | -43.4 | -179.8 | -71.1 | 168.8 | 0 | 0 | 0 | 111.7 | K127 F187 K189 Q193 I194 | K127-I191 HydrophobicContact CB-CD1 4.47Å; K127-I191 HydrophobicContact CB-CG2 3.83Å; K127-I191 HydrophobicContact CD-CG2 3.17Å; K127-I191 HydrophobicContact CG-CD1 4.2Å; K127-I191 HydrophobicContact CG-CG2 3.43Å; K127-I191 VanDerWaalsContact CG-CG2 3.43Å; F187-I191 WeakPolarHBondContact O-CB 3.45Å; F187-I191 VanDerWaalsContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CG1 3.44Å; F187-I191 PolarHBondContact O-N 3.5Å; F187-I191 VanDerWaalsContact O-N 3.17Å; K189-I191 VanDerWaalsContact C-N 3.27Å; K189-I191 PolarHBondContact O-N 2.89Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 PolarHBondContact O-N 3.37Å; I191-I194 PolarHBondContact O-N 3Å |
| 192 | G | 71.6 | Confident | 71.7 | Confident | 29 Ų | 29 | 88.2 Ų | 88.2 | 30% | 0.299 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -35 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | S188 K189 I194 E195 V196 | S188-G192 PolarHBondContact O-N 3.47Å; K189-G192 PolarHBondContact O-N 3.42Å; G192-I194 VanDerWaalsContact C-N 3.33Å; G192-I194 PolarHBondContact O-N 2.83Å; G192-E195 PolarHBondContact O-N 3Å; G192-V196 WeakPolarHBondContact O-CG2 3.41Å; G192-V196 PolarHBondContact O-N 2.81Å |
| 193 | Q | 75.6 | Confident | 71.7 | Confident | 116 Ų | 116 | 84.7 Ų | 84.7 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 178.2 | -76.4 | -177.3 | -24.8 | 0 | 0 | 113 | K189 V190 I191 N197 | K189-Q193 PolarHBondContact O-N 3.23Å; V190-Q193 PolarHBondContact O-N 2.87Å; I191-Q193 VanDerWaalsContact C-N 3.34Å; I191-Q193 PolarHBondContact O-N 3.37Å; Q193-N197 PolarHBondContact O-N 3.37Å; Q193-N197 PolarHBondContact O-ND2 3.22Å |
| 194 | I | 68.6 | Low | 72 | Confident | 77 Ų | 77 | 85 Ų | 85 | 40% | 0.395 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 178.7 | -65.6 | 169.9 | 0 | 0 | 0 | 110.4 | A123 V190 I191 G192 F198 | A123-I194 HydrophobicContact CB-CG2 4.4Å; V190-I194 PolarHBondContact O-N 3.27Å; I191-I194 PolarHBondContact O-N 3Å; G192-I194 VanDerWaalsContact C-N 3.33Å; G192-I194 PolarHBondContact O-N 2.83Å; I194-F198 HydrophobicContact CG2-CD2 4.17Å; I194-F198 HydrophobicContact CG2-CE2 4.17Å; I194-F198 VanDerWaalsContact O-CD2 3.23Å; I194-F198 WeakPolarHBondContact O-CD2 3.46Å; I194-F198 PolarHBondContact O-N 3.28Å |
| 195 | E | 69.6 | Low | 72.1 | Confident | 102 Ų | 102 | 80.5 Ų | 80.5 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | -177.5 | -175 | 169.3 | -172.6 | 0 | 0 | 113 | G192 N197 F198 S199 | G192-E195 PolarHBondContact O-N 3Å; E195-N197 PolarHBondContact O-N 3.18Å; E195-F198 PolarHBondContact O-N 3.49Å; E195-S199 WeakPolarHBondContact O-CB 3.35Å; E195-S199 PolarHBondContact O-N 3.28Å |
| 196 | V | 75.6 | Confident | 71.9 | Confident | 96 Ų | 96 | 85.7 Ų | 85.7 | 58% | 0.582 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | -179.7 | 174 | 0 | 0 | 0 | 0 | 111.3 | G192 F198 S199 H200 | G192-V196 WeakPolarHBondContact O-CG2 3.41Å; G192-V196 PolarHBondContact O-N 2.81Å; V196-F198 PolarHBondContact O-N 2.91Å; V196-S199 PolarHBondContact O-N 3.01Å; V196-H200 WeakPolarHBondContact O-CB 3.28Å; V196-H200 PolarHBondContact O-N 2.9Å |
| 197 | N | 74.1 | Confident | 71.8 | Confident | 114 Ų | 114 | 87.8 Ų | 87.8 | 61% | 0.61 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | 179.9 | -72.5 | -20.8 | 0 | 0 | 0 | 112.2 | Q193 E195 A201 | Q193-N197 PolarHBondContact O-N 3.37Å; Q193-N197 PolarHBondContact O-ND2 3.22Å; E195-N197 PolarHBondContact O-N 3.18Å; N197-A201 PolarHBondContact O-N 3.47Å |
| 198 | F | 70.6 | Confident | 71.9 | Confident | 78 Ų | 78 | 89.6 Ų | 89.6 | 34% | 0.342 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -69.7 | -40.6 | 178 | -87.8 | -106.5 | 0 | 0 | 0 | 112.4 | T116 V119 I194 E195 V196 K202 | T116-F198 HydrophobicContact CG2-CB 4.4Å; T116-F198 HydrophobicContact CG2-CD1 3.5Å; T116-F198 HydrophobicContact CG2-CE1 4.21Å; T116-F198 HydrophobicContact CG2-CG 4.37Å; V119-F198 HydrophobicContact CB-CE1 4.14Å; V119-F198 HydrophobicContact CG1-CE1 3.65Å; V119-F198 HydrophobicContact CG1-CZ 3.84Å; I194-F198 HydrophobicContact CG2-CD2 4.17Å; I194-F198 HydrophobicContact CG2-CE2 4.17Å; I194-F198 VanDerWaalsContact O-CD2 3.23Å; I194-F198 WeakPolarHBondContact O-CD2 3.46Å; I194-F198 PolarHBondContact O-N 3.28Å; E195-F198 PolarHBondContact O-N 3.49Å; V196-F198 PolarHBondContact O-N 2.91Å; F198-K202 PolarHBondContact O-N 2.67Å |
| 199 | S | 71 | Confident | 72.1 | Confident | 58 Ų | 58 | 90 Ų | 90 | 41% | 0.406 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.4 | -42.3 | 178.9 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | E195 V196 K202 N203 | E195-S199 WeakPolarHBondContact O-CB 3.35Å; E195-S199 PolarHBondContact O-N 3.28Å; V196-S199 PolarHBondContact O-N 3.01Å; S199-K202 PolarHBondContact O-N 3.4Å; S199-N203 PolarHBondContact O-N 3.47Å; S199-N203 VanDerWaalsContact O-N 3.08Å; S199-N203 PolarHBondContact O-ND2 3.3Å |
| 200 | H | 73.6 | Confident | 71.6 | Confident | 125 Ų | 125 | 86.4 Ų | 86.4 | 58% | 0.579 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -61.8 | -46.3 | 178.8 | -173.7 | -100.8 | 0 | 0 | 0 | 112.2 | V196 K202 N203 L204 | V196-H200 WeakPolarHBondContact O-CB 3.28Å; V196-H200 PolarHBondContact O-N 2.9Å; H200-K202 VanDerWaalsContact C-N 3.33Å; H200-K202 PolarHBondContact O-N 3.15Å; H200-N203 PolarHBondContact O-N 3.5Å; H200-L204 VanDerWaalsContact CE1-CD1 3.44Å; H200-L204 WeakPolarHBondContact CE1-CD1 3.43Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 2.94Å |
| 201 | A | 70.2 | Confident | 71.7 | Confident | 44 Ų | 44 | 86.7 Ų | 86.7 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N197 L205 | N197-A201 PolarHBondContact O-N 3.47Å; A201-L205 WeakPolarHBondContact O-CD1 3.29Å; A201-L205 PolarHBondContact O-N 2.71Å; A201-L205 VanDerWaalsContact O-N 3.15Å |
| 202 | K | 71.6 | Confident | 72 | Confident | 83 Ų | 83 | 87.6 Ų | 87.6 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 178.5 | 177.9 | -178.2 | 174.9 | 179.3 | 0 | 112.8 | V117 F198 S199 H200 L205 R206 | V117-K202 HydrophobicContact CG2-CD 4.21Å; F198-K202 PolarHBondContact O-N 2.67Å; S199-K202 PolarHBondContact O-N 3.4Å; H200-K202 VanDerWaalsContact C-N 3.33Å; H200-K202 PolarHBondContact O-N 3.15Å; K202-L205 PolarHBondContact O-N 3.5Å; K202-R206 PolarHBondContact O-N 2.89Å; K202-R206 VanDerWaalsContact O-N 3.13Å |
| 203 | N | 72.7 | Confident | 72 | Confident | 78 Ų | 78 | 89.4 Ų | 89.4 | 42% | 0.417 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.4 | -42.7 | -176.9 | -69.5 | -22.9 | 0 | 0 | 0 | 111.4 | S199 H200 L205 R206 D207 | S199-N203 PolarHBondContact O-N 3.47Å; S199-N203 VanDerWaalsContact O-N 3.08Å; S199-N203 PolarHBondContact O-ND2 3.3Å; H200-N203 PolarHBondContact O-N 3.5Å; N203-L205 PolarHBondContact O-N 3.49Å; N203-R206 PolarHBondContact O-N 2.98Å; N203-R206 VanDerWaalsContact O-N 3.11Å; N203-D207 PolarHBondContact O-N 2.94Å |
| 204 | L | 72 | Confident | 72.1 | Confident | 74 Ų | 74 | 86.7 Ų | 86.7 | 39% | 0.387 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -55.9 | -48.8 | 172.7 | -69.8 | 172.4 | 0 | 0 | 0 | 111.6 | H200 R206 D207 Y208 | H200-L204 VanDerWaalsContact CE1-CD1 3.44Å; H200-L204 WeakPolarHBondContact CE1-CD1 3.43Å; H200-L204 WeakPolarHBondContact O-CG 3.46Å; H200-L204 PolarHBondContact O-N 2.94Å; L204-R206 PolarHBondContact O-N 3.21Å; L204-D207 PolarHBondContact O-N 2.92Å; L204-Y208 HydrophobicContact CB-CD2 4.49Å; L204-Y208 HydrophobicContact CD2-CE2 3.9Å; L204-Y208 WeakPolarHBondContact O-CD2 3.21Å; L204-Y208 PolarHBondContact O-N 3.27Å; L204-Y208 VanDerWaalsContact O-N 3.13Å |
| 205 | L | 69.9 | Low | 72.7 | Confident | 43 Ų | 43 | 87.7 Ų | 87.7 | 23% | 0.225 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -59.3 | -34.3 | 178.5 | -84.5 | 157.2 | 0 | 0 | 0 | 113.2 | V108 A201 K202 N203 | V108-L205 HydrophobicContact CG1-CD2 3.43Å; V108-L205 VanDerWaalsContact CG1-CD2 3.43Å; A201-L205 WeakPolarHBondContact O-CD1 3.29Å; A201-L205 PolarHBondContact O-N 2.71Å; A201-L205 VanDerWaalsContact O-N 3.15Å; K202-L205 PolarHBondContact O-N 3.5Å; N203-L205 PolarHBondContact O-N 3.49Å |
| 206 | R | 69.5 | Low | 73 | Confident | 187 Ų | 187 | 85 Ų | 85 | 71% | 0.706 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -73.7 | -42.1 | 179.8 | -170 | 176.2 | -179.2 | 168.5 | -0.7 | 112 | K202 N203 L204 K209 | K202-R206 PolarHBondContact O-N 2.89Å; K202-R206 VanDerWaalsContact O-N 3.13Å; N203-R206 PolarHBondContact O-N 2.98Å; N203-R206 VanDerWaalsContact O-N 3.11Å; L204-R206 PolarHBondContact O-N 3.21Å; R206-K209 WeakPolarHBondContact O-CB 3.5Å |
| 207 | D | 70.9 | Confident | 73.2 | Confident | 122 Ų | 122 | 81.5 Ų | 81.5 | 65% | 0.652 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -73.4 | -35.8 | -175.3 | -65.6 | -19 | 0 | 0 | 0 | 111.9 | N203 L204 K209 | N203-D207 PolarHBondContact O-N 2.94Å; L204-D207 PolarHBondContact O-N 2.92Å; D207-K209 PolarHBondContact O-N 2.69Å |
| 208 | Y | 72.9 | Confident | 73.6 | Confident | 141 Ų | 141 | 78.8 Ų | 78.8 | 55% | 0.553 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -82.6 | -7.1 | 178.9 | -69.6 | -68 | 0 | 0 | 0 | 114.8 | L204 L210 L211 S212 | L204-Y208 HydrophobicContact CB-CD2 4.49Å; L204-Y208 HydrophobicContact CD2-CE2 3.9Å; L204-Y208 WeakPolarHBondContact O-CD2 3.21Å; L204-Y208 PolarHBondContact O-N 3.27Å; L204-Y208 VanDerWaalsContact O-N 3.13Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.3Å; Y208-L211 HydrophobicContact CD1-CD2 4.28Å; Y208-L211 PolarHBondContact O-N 2.89Å; Y208-S212 VanDerWaalsContact O-CB 3.32Å; Y208-S212 WeakPolarHBondContact O-CB 3.27Å; Y208-S212 PolarHBondContact O-N 2.76Å |
| 209 | K | 73.1 | Confident | 74.3 | Confident | 72 Ų | 72 | 78.6 Ų | 78.6 | 31% | 0.313 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -51.1 | -48.2 | -178.1 | 176.5 | 150.7 | -169.4 | 171.2 | 0 | 113.4 | L109 N110 R206 D207 N213 | L109-K209 HydrophobicContact CB-CD 4.08Å; L109-K209 HydrophobicContact CD1-CB 4.35Å; L109-K209 HydrophobicContact CD1-CD 4.17Å; L109-K209 HydrophobicContact CD1-CG 3.77Å; L109-K209 HydrophobicContact CD2-CB 3.81Å; L109-K209 HydrophobicContact CD2-CD 4.22Å; L109-K209 HydrophobicContact CD2-CG 4.03Å; L109-K209 HydrophobicContact CG-CD 4.41Å; L109-K209 HydrophobicContact CG-CG 4.34Å; L109-K209 PolarHBondContact O-NZ 3.09Å; N110-K209 PolarHBondContact OD1-NZ 2.98Å; R206-K209 WeakPolarHBondContact O-CB 3.5Å; D207-K209 PolarHBondContact O-N 2.69Å; K209-N213 PolarHBondContact O-N 2.93Å |
| 210 | L | 70.1 | Confident | 75 | Confident | 71 Ų | 71 | 77.1 Ų | 77.1 | 37% | 0.372 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74.7 | -42 | -175.5 | -160.6 | 92.1 | 0 | 0 | 0 | 111.5 | K52 Y208 R214 | K52-L210 HydrophobicContact CD-CD1 4.45Å; Y208-L210 VanDerWaalsContact C-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.3Å; L210-R214 VanDerWaalsContact CD2-NH2 3.34Å; L210-R214 WeakPolarHBondContact O-CG 3.37Å; L210-R214 PolarHBondContact O-N 3.37Å; L210-R214 VanDerWaalsContact O-N 3.17Å |
| 211 | L | 75.3 | Confident | 75.6 | Confident | 86 Ų | 86 | 74.7 Ų | 74.7 | 45% | 0.45 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67 | -42.4 | -177.8 | -174.3 | 64.2 | 0 | 0 | 0 | 111.5 | Y208 N213 R214 I215 | Y208-L211 HydrophobicContact CD1-CD2 4.28Å; Y208-L211 PolarHBondContact O-N 2.89Å; L211-N213 PolarHBondContact O-N 2.98Å; L211-R214 WeakPolarHBondContact O-CB 3.28Å; L211-R214 PolarHBondContact O-N 3.28Å; L211-I215 HydrophobicContact CD1-CD1 4.29Å; L211-I215 HydrophobicContact CG-CD1 3.95Å; L211-I215 WeakPolarHBondContact O-CG1 3.31Å; L211-I215 PolarHBondContact O-N 3.38Å |
| 212 | S | 72.9 | Confident | 76.5 | Confident | 44 Ų | 44 | 74.7 Ų | 74.7 | 31% | 0.308 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 179.7 | -163.3 | 0 | 0 | 0 | 0 | 112.1 | M105 Y208 R214 I215 L216 | M105-S212 WeakPolarHBondContact CE-OG 3.43Å; Y208-S212 VanDerWaalsContact O-CB 3.32Å; Y208-S212 WeakPolarHBondContact O-CB 3.27Å; Y208-S212 PolarHBondContact O-N 2.76Å; S212-R214 PolarHBondContact O-N 2.91Å; S212-I215 PolarHBondContact O-N 3.14Å; S212-L216 VanDerWaalsContact O-CB 3.31Å; S212-L216 WeakPolarHBondContact O-CB 3.22Å; S212-L216 PolarHBondContact O-N 3.29Å |
| 213 | N | 72.5 | Confident | 77.4 | Confident | 67 Ų | 67 | 74.2 Ų | 74.2 | 36% | 0.358 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63 | -40.2 | 174.3 | -79 | -15.4 | 0 | 0 | 0 | 112.7 | M105 K209 L211 A217 | M105-N213 VanDerWaalsContact CG-OD1 3.22Å; M105-N213 WeakPolarHBondContact CG-OD1 3.47Å; K209-N213 PolarHBondContact O-N 2.93Å; L211-N213 PolarHBondContact O-N 2.98Å; N213-A217 WeakPolarHBondContact O-CB 3.32Å; N213-A217 PolarHBondContact O-N 2.93Å |
| 214 | R | 77.4 | Confident | 78.3 | Confident | 58 Ų | 58 | 71.1 Ų | 71.1 | 22% | 0.219 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 176.2 | -73.5 | 173.5 | 178.2 | -170.6 | 1.9 | 111.2 | L51 Y53 L210 L211 S212 A218 | L51-R214 HydrophobicContact CB-CG 4.19Å; L51-R214 HydrophobicContact CD1-CG 4.08Å; L51-R214 HydrophobicContact CD2-CB 4.31Å; L51-R214 HydrophobicContact CD2-CG 3.49Å; L51-R214 VanDerWaalsContact CD2-CG 3.49Å; L51-R214 HydrophobicContact CG-CG 4.1Å; L51-R214 VanDerWaalsContact O-CZ 3.28Å; L51-R214 PolarHBondContact O-NE 3.33Å; L51-R214 VanDerWaalsContact O-NE 3.14Å; L51-R214 PolarHBondContact O-NH2 3.33Å; Y53-R214 HydrophobicContact CE2-CG 4.43Å; Y53-R214 VanDerWaalsContact CE2-CZ 3.46Å; L210-R214 VanDerWaalsContact CD2-NH2 3.34Å; L210-R214 WeakPolarHBondContact O-CG 3.37Å; L210-R214 PolarHBondContact O-N 3.37Å; L210-R214 VanDerWaalsContact O-N 3.17Å; L211-R214 WeakPolarHBondContact O-CB 3.28Å; L211-R214 PolarHBondContact O-N 3.28Å; S212-R214 PolarHBondContact O-N 2.91Å; R214-A218 PolarHBondContact O-N 2.97Å |
| 215 | I | 80.4 | Confident | 79.3 | Confident | 98 Ų | 98 | 71 Ų | 71 | 50% | 0.503 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | -178.3 | -66.2 | 168.9 | 0 | 0 | 0 | 110.4 | L211 S212 A217 A218 V219 | L211-I215 HydrophobicContact CD1-CD1 4.29Å; L211-I215 HydrophobicContact CG-CD1 3.95Å; L211-I215 WeakPolarHBondContact O-CG1 3.31Å; L211-I215 PolarHBondContact O-N 3.38Å; S212-I215 PolarHBondContact O-N 3.14Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 3.03Å; I215-A218 PolarHBondContact O-N 3.47Å; I215-V219 HydrophobicContact CG2-CG2 4.21Å; I215-V219 WeakPolarHBondContact O-CB 3.27Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 2.96Å; I215-V219 PolarHBondContact O-N 3.3Å |
| 216 | L | 76.9 | Confident | 80.4 | Confident | 46 Ų | 46 | 72.4 Ų | 72.4 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | -176 | -172.7 | 72.8 | 0 | 0 | 0 | 112 | S101 M105 S212 F220 | S101-L216 VanDerWaalsContact OG-CD1 3.32Å; S101-L216 WeakPolarHBondContact OG-CD1 3.28Å; M105-L216 HydrophobicContact CE-CD2 4.3Å; S212-L216 VanDerWaalsContact O-CB 3.31Å; S212-L216 WeakPolarHBondContact O-CB 3.22Å; S212-L216 PolarHBondContact O-N 3.29Å; L216-F220 WeakPolarHBondContact O-CB 3.38Å; L216-F220 PolarHBondContact O-N 3.37Å |
| 217 | A | 78.9 | Confident | 81.6 | Confident | 23 Ų | 23 | 65.9 Ų | 65.9 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -71.9 | -39.1 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | W46 N213 I215 F220 V221 | W46-A217 HydrophobicContact CH2-CB 3.41Å; W46-A217 VanDerWaalsContact CH2-CB 3.41Å; W46-A217 HydrophobicContact CZ2-CB 3.12Å; N213-A217 WeakPolarHBondContact O-CB 3.32Å; N213-A217 PolarHBondContact O-N 2.93Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 3.03Å; A217-F220 PolarHBondContact O-N 2.79Å; A217-V221 WeakPolarHBondContact O-CG2 3.45Å; A217-V221 PolarHBondContact O-N 3.36Å |
| 218 | A | 82.5 | Confident | 82.7 | Confident | 57 Ų | 57 | 60 Ų | 60 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.5 | R214 I215 F220 V221 A222 | R214-A218 PolarHBondContact O-N 2.97Å; I215-A218 PolarHBondContact O-N 3.47Å; A218-F220 VanDerWaalsContact C-N 3.27Å; A218-F220 PolarHBondContact O-N 3.46Å; A218-V221 PolarHBondContact O-N 3.27Å; A218-A222 PolarHBondContact O-N 3.49Å |
| 219 | V | 86 | Confident | 83.7 | Confident | 73 Ų | 73 | 55.4 Ų | 55.4 | 44% | 0.442 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.4 | -42.3 | 175.5 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | I215 A222 L223 | I215-V219 HydrophobicContact CG2-CG2 4.21Å; I215-V219 WeakPolarHBondContact O-CB 3.27Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 2.96Å; I215-V219 PolarHBondContact O-N 3.3Å; V219-A222 PolarHBondContact O-N 2.96Å; V219-L223 HydrophobicContact CG1-CD1 3.84Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CB 3.48Å; V219-L223 VanDerWaalsContact O-CG 3.25Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.39Å |
| 220 | F | 84.7 | Confident | 84.8 | Confident | 28 Ų | 28 | 58.6 Ų | 58.6 | 12% | 0.123 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.2 | -46.8 | 180 | 178.4 | -108 | 0 | 0 | 0 | 113.4 | Q94 L98 L216 A217 A218 A222 L223 L224 | Q94-F220 WeakPolarHBondContact O-CE2 3.43Å; L98-F220 HydrophobicContact CB-CD1 4.38Å; L98-F220 HydrophobicContact CB-CD2 3.6Å; L98-F220 HydrophobicContact CB-CE1 4.14Å; L98-F220 HydrophobicContact CB-CE2 3.36Å; L98-F220 HydrophobicContact CB-CG 4.1Å; L98-F220 HydrophobicContact CB-CZ 3.62Å; L98-F220 HydrophobicContact CD1-CB 3.96Å; L98-F220 HydrophobicContact CD1-CD1 3.98Å; L98-F220 HydrophobicContact CD1-CD2 4Å; L98-F220 HydrophobicContact CD1-CE1 4.45Å; L98-F220 HydrophobicContact CD1-CG 3.68Å; L98-F220 HydrophobicContact CD2-CD1 3.47Å; L98-F220 VanDerWaalsContact CD2-CD1 3.47Å; L98-F220 HydrophobicContact CD2-CD2 4.28Å; L98-F220 HydrophobicContact CD2-CE1 3.18Å; L98-F220 HydrophobicContact CD2-CE2 4.08Å; L98-F220 HydrophobicContact CD2-CG 3.98Å; L98-F220 HydrophobicContact CD2-CZ 3.51Å; L98-F220 HydrophobicContact CG-CD1 4.11Å; L98-F220 HydrophobicContact CG-CD2 4.13Å; L98-F220 HydrophobicContact CG-CE1 4.07Å; L98-F220 HydrophobicContact CG-CE2 4.14Å; L98-F220 HydrophobicContact CG-CG 4.1Å; L98-F220 HydrophobicContact CG-CZ 4.06Å; L216-F220 WeakPolarHBondContact O-CB 3.38Å; L216-F220 PolarHBondContact O-N 3.37Å; A217-F220 PolarHBondContact O-N 2.79Å; A218-F220 VanDerWaalsContact C-N 3.27Å; A218-F220 PolarHBondContact O-N 3.46Å; F220-A222 VanDerWaalsContact C-N 3.27Å; F220-A222 PolarHBondContact O-N 2.95Å; F220-L223 PolarHBondContact O-N 3.35Å; F220-L224 HydrophobicContact CD1-CD1 3.9Å; F220-L224 HydrophobicContact CD1-CG 4.32Å; F220-L224 HydrophobicContact CD2-CG 4.43Å; F220-L224 HydrophobicContact CE1-CD1 3.24Å; F220-L224 HydrophobicContact CE1-CD2 4.37Å; F220-L224 HydrophobicContact CE1-CG 3.82Å; F220-L224 HydrophobicContact CE2-CD1 4.23Å; F220-L224 HydrophobicContact CE2-CD2 3.94Å; F220-L224 HydrophobicContact CE2-CG 3.9Å; F220-L224 HydrophobicContact CZ-CD1 3.46Å; F220-L224 VanDerWaalsContact CZ-CD1 3.46Å; F220-L224 HydrophobicContact CZ-CD2 3.7Å; F220-L224 HydrophobicContact CZ-CG 3.61Å; F220-L224 WeakPolarHBondContact O-CG 3.37Å; F220-L224 PolarHBondContact O-N 3.47Å |
| 221 | V | 86.9 | Confident | 85.9 | Confident | 73 Ų | 73 | 56.1 Ų | 56.1 | 44% | 0.442 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -58.7 | -44 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | A217 A218 L223 L224 I225 | A217-V221 WeakPolarHBondContact O-CG2 3.45Å; A217-V221 PolarHBondContact O-N 3.36Å; A218-V221 PolarHBondContact O-N 3.27Å; V221-L223 PolarHBondContact O-N 3.05Å; V221-L224 PolarHBondContact O-N 3.34Å; V221-I225 HydrophobicContact CG1-CD1 4.11Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 2.99Å |
| 222 | A | 89.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 36% | 0.364 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A218 V219 F220 L224 I225 I226 | A218-A222 PolarHBondContact O-N 3.49Å; V219-A222 PolarHBondContact O-N 2.96Å; F220-A222 VanDerWaalsContact C-N 3.27Å; F220-A222 PolarHBondContact O-N 2.95Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 3.44Å; A222-I225 PolarHBondContact O-N 3.19Å; A222-I226 WeakPolarHBondContact O-CB 3.41Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 WeakPolarHBondContact O-CG1 3.27Å; A222-I226 PolarHBondContact O-N 3.16Å |
| 223 | L | 90.4 | Very high | 87.9 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60.7 | -40.3 | 177.8 | -74.8 | 173.9 | 0 | 0 | 0 | 112.4 | V219 F220 V221 I226 E227 | V219-L223 HydrophobicContact CG1-CD1 3.84Å; V219-L223 HydrophobicContact CG1-CG 4.24Å; V219-L223 WeakPolarHBondContact O-CB 3.48Å; V219-L223 VanDerWaalsContact O-CG 3.25Å; V219-L223 WeakPolarHBondContact O-CG 3.33Å; V219-L223 PolarHBondContact O-N 3.39Å; F220-L223 PolarHBondContact O-N 3.35Å; V221-L223 PolarHBondContact O-N 3.05Å; L223-I226 PolarHBondContact O-N 3.33Å; L223-E227 VanDerWaalsContact O-CB 3.29Å; L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 WeakPolarHBondContact O-CG 3.49Å; L223-E227 PolarHBondContact O-N 3.46Å |
| 224 | L | 91.8 | Very high | 88.9 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 176.7 | -73.4 | 177.5 | 0 | 0 | 0 | 112.6 | T89 V90 Q94 F220 V221 A222 S228 | T89-L224 HydrophobicContact CG2-CD2 3.92Å; V90-L224 HydrophobicContact CG2-CD1 3.69Å; V90-L224 HydrophobicContact CG2-CD2 4.32Å; Q94-L224 HydrophobicContact CB-CD2 4.09Å; F220-L224 HydrophobicContact CD1-CD1 3.9Å; F220-L224 HydrophobicContact CD1-CG 4.32Å; F220-L224 HydrophobicContact CD2-CG 4.43Å; F220-L224 HydrophobicContact CE1-CD1 3.24Å; F220-L224 HydrophobicContact CE1-CD2 4.37Å; F220-L224 HydrophobicContact CE1-CG 3.82Å; F220-L224 HydrophobicContact CE2-CD1 4.23Å; F220-L224 HydrophobicContact CE2-CD2 3.94Å; F220-L224 HydrophobicContact CE2-CG 3.9Å; F220-L224 HydrophobicContact CZ-CD1 3.46Å; F220-L224 VanDerWaalsContact CZ-CD1 3.46Å; F220-L224 HydrophobicContact CZ-CD2 3.7Å; F220-L224 HydrophobicContact CZ-CG 3.61Å; F220-L224 WeakPolarHBondContact O-CG 3.37Å; F220-L224 PolarHBondContact O-N 3.47Å; V221-L224 PolarHBondContact O-N 3.34Å; A222-L224 VanDerWaalsContact C-N 3.34Å; A222-L224 PolarHBondContact O-N 3.44Å; L224-S228 VanDerWaalsContact O-CB 3.31Å; L224-S228 WeakPolarHBondContact O-CB 3.43Å; L224-S228 PolarHBondContact O-N 2.91Å; L224-S228 PolarHBondContact O-OG 2.84Å |
| 225 | I | 92.1 | Very high | 89.6 | Confident | 73 Ų | 73 | 53.8 Ų | 53.8 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.9 | -46.6 | 178 | -65.2 | 168.1 | 0 | 0 | 0 | 109.7 | V82 T86 V221 A222 E227 S228 A229 | V82-I225 HydrophobicContact CG1-CG2 4.28Å; T86-I225 HydrophobicContact CG2-CG1 4.04Å; V221-I225 HydrophobicContact CG1-CD1 4.11Å; V221-I225 WeakPolarHBondContact O-CG1 3.38Å; V221-I225 PolarHBondContact O-N 2.99Å; A222-I225 PolarHBondContact O-N 3.19Å; I225-E227 PolarHBondContact O-N 3.19Å; I225-S228 PolarHBondContact O-N 3.43Å; I225-A229 WeakPolarHBondContact O-CB 3.33Å; I225-A229 PolarHBondContact O-N 3.23Å |
| 226 | I | 93.3 | Very high | 90.2 | Very high | 71 Ų | 71 | 52 Ų | 52 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 178.8 | -70.2 | 166 | 0 | 0 | 0 | 110.8 | A222 L223 S228 A229 R230 | A222-I226 WeakPolarHBondContact O-CB 3.41Å; A222-I226 WeakPolarHBondContact O-CD1 3.26Å; A222-I226 WeakPolarHBondContact O-CG1 3.27Å; A222-I226 PolarHBondContact O-N 3.16Å; L223-I226 PolarHBondContact O-N 3.33Å; I226-S228 VanDerWaalsContact C-N 3.34Å; I226-S228 PolarHBondContact O-N 3.35Å; I226-A229 PolarHBondContact O-N 3.32Å; I226-R230 HydrophobicContact CG2-CG 4.39Å; I226-R230 WeakPolarHBondContact O-CB 3.44Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.4Å; I226-R230 PolarHBondContact O-N 3.47Å |
| 227 | E | 93.9 | Very high | 91 | Very high | 50 Ų | 50 | 55.1 Ų | 55.1 | 23% | 0.234 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -65.8 | -37.6 | 178.7 | -74.6 | -72.1 | 124.8 | 0 | 0 | 112.3 | T89 Q94 L223 I225 R230 Y231 | T89-E227 HydrophobicContact CG2-CB 4.27Å; Q94-E227 HydrophobicContact CG-CB 4.44Å; Q94-E227 HydrophobicContact CG-CG 4.02Å; Q94-E227 PolarHBondContact NE2-OE2 2.77Å; L223-E227 VanDerWaalsContact O-CB 3.29Å; L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 WeakPolarHBondContact O-CG 3.49Å; L223-E227 PolarHBondContact O-N 3.46Å; I225-E227 PolarHBondContact O-N 3.19Å; E227-R230 PolarHBondContact O-N 3.14Å; E227-R230 IonicContact OE1-CZ 3.49Å; E227-R230 IonicContact OE1-NH1 2.83Å; E227-R230 PolarHBondContact OE1-NH1 2.96Å; E227-Y231 WeakPolarHBondContact O-CB 3.33Å; E227-Y231 PolarHBondContact O-N 2.99Å |
| 228 | S | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 174 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | M85 T89 L224 I225 I226 Y231 L232 | M85-S228 WeakPolarHBondContact CE-O 3.12Å; T89-S228 PolarHBondContact OG1-OG 3.07Å; L224-S228 VanDerWaalsContact O-CB 3.31Å; L224-S228 WeakPolarHBondContact O-CB 3.43Å; L224-S228 PolarHBondContact O-N 2.91Å; L224-S228 PolarHBondContact O-OG 2.84Å; I225-S228 PolarHBondContact O-N 3.43Å; I226-S228 VanDerWaalsContact C-N 3.34Å; I226-S228 PolarHBondContact O-N 3.35Å; S228-Y231 PolarHBondContact O-N 2.88Å; S228-L232 PolarHBondContact O-N 3.34Å |
| 229 | A | 95.1 | Very high | 91.5 | Very high | 43 Ų | 43 | 55.8 Ų | 55.8 | 36% | 0.355 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V82 I225 I226 L232 K233 | V82-A229 HydrophobicContact CG1-CB 4.24Å; V82-A229 HydrophobicContact CG2-CB 4.24Å; I225-A229 WeakPolarHBondContact O-CB 3.33Å; I225-A229 PolarHBondContact O-N 3.23Å; I226-A229 PolarHBondContact O-N 3.32Å; A229-L232 PolarHBondContact O-N 3.07Å; A229-K233 WeakPolarHBondContact O-CB 3.42Å; A229-K233 PolarHBondContact O-N 3.49Å |
| 230 | R | 94.6 | Very high | 91.3 | Very high | 140 Ų | 140 | 58.2 Ų | 58.2 | 53% | 0.528 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 174.4 | -75.8 | 176.9 | -175.2 | 151.1 | 1 | 112 | I226 E227 K233 S234 | I226-R230 HydrophobicContact CG2-CG 4.39Å; I226-R230 WeakPolarHBondContact O-CB 3.44Å; I226-R230 VanDerWaalsContact O-CG 3.3Å; I226-R230 WeakPolarHBondContact O-CG 3.4Å; I226-R230 PolarHBondContact O-N 3.47Å; E227-R230 PolarHBondContact O-N 3.14Å; E227-R230 IonicContact OE1-CZ 3.49Å; E227-R230 IonicContact OE1-NH1 2.83Å; E227-R230 PolarHBondContact OE1-NH1 2.96Å; R230-K233 PolarHBondContact O-N 3.43Å; R230-S234 WeakPolarHBondContact O-CB 3.44Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 2.89Å |
| 231 | Y | 94.4 | Very high | 91.3 | Very high | 19 Ų | 19 | 59.8 Ų | 59.8 | 8% | 0.075 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.3 | -175.5 | -84.3 | 0 | 0 | 0 | 110.5 | M85 E227 S228 K233 S234 Y235 F241 D242 R400 | M85-Y231 HydrophobicContact CE-CD1 3.44Å; M85-Y231 VanDerWaalsContact CE-CD1 3.44Å; M85-Y231 HydrophobicContact CE-CE1 4.35Å; M85-Y231 HydrophobicContact CE-CG 4Å; M85-Y231 HydrophobicContact SD-CD1 4.46Å; E227-Y231 WeakPolarHBondContact O-CB 3.33Å; E227-Y231 PolarHBondContact O-N 2.99Å; S228-Y231 PolarHBondContact O-N 2.88Å; Y231-K233 PolarHBondContact O-N 3.37Å; Y231-S234 PolarHBondContact O-N 3.46Å; Y231-Y235 HydrophobicContact CE1-CD2 4.26Å; Y231-Y235 WeakPolarHBondContact O-CB 3.31Å; Y231-Y235 PolarHBondContact O-N 3.49Å; Y231-F241 AromaticContact CD2-CE1 3.96Å; Y231-F241 HydrophobicContact CD2-CE1 3.96Å; Y231-F241 AromaticContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CE1-CE1 4.37Å; Y231-F241 AromaticContact CE2-CE1 3.61Å; Y231-F241 HydrophobicContact CE2-CE1 3.61Å; Y231-F241 AromaticContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CG-CE1 4.47Å; Y231-F241 AromaticContact CZ-CE1 3.84Å; Y231-D242 PolarHBondContact OH-OD2 2.99Å; Y231-R400 HydrophobicContact CE1-CB 4.07Å |
| 232 | L | 95.1 | Very high | 90.7 | Very high | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.047 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 178 | -180 | 60.7 | 0 | 0 | 0 | 111.8 | P78 C81 V82 M85 S228 A229 S234 Y235 L236 F408 | P78-L232 HydrophobicContact CB-CD2 4.25Å; C81-L232 HydrophobicContact CB-CD2 4.23Å; V82-L232 HydrophobicContact CG2-CB 4.29Å; V82-L232 HydrophobicContact CG2-CD2 3.58Å; M85-L232 HydrophobicContact CE-CB 4.44Å; S228-L232 PolarHBondContact O-N 3.34Å; A229-L232 PolarHBondContact O-N 3.07Å; L232-S234 PolarHBondContact O-N 3.37Å; L232-Y235 WeakPolarHBondContact O-CB 3.17Å; L232-Y235 PolarHBondContact O-N 2.96Å; L232-L236 HydrophobicContact CD1-CD1 3.96Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 4Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CG 3.23Å; L232-L236 PolarHBondContact O-N 2.68Å; L232-F408 HydrophobicContact CD1-CD2 3.99Å; L232-F408 HydrophobicContact CD1-CE2 3.6Å; L232-F408 HydrophobicContact CD1-CZ 4.39Å; L232-F408 HydrophobicContact CD2-CE2 4.24Å; L232-F408 HydrophobicContact CG-CE2 4.48Å |
| 233 | K | 95.1 | Very high | 90 | Very high | 149 Ų | 149 | 57.6 Ų | 57.6 | 65% | 0.648 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -55.3 | -51.2 | 175.2 | -178.6 | 178.8 | 175.7 | 178 | 0 | 110.9 | A229 R230 Y231 Y235 L236 T237 | A229-K233 WeakPolarHBondContact O-CB 3.42Å; A229-K233 PolarHBondContact O-N 3.49Å; R230-K233 PolarHBondContact O-N 3.43Å; Y231-K233 PolarHBondContact O-N 3.37Å; K233-Y235 VanDerWaalsContact C-N 3.29Å; K233-Y235 PolarHBondContact O-N 2.94Å; K233-L236 PolarHBondContact O-N 3.47Å; K233-T237 WeakPolarHBondContact O-CB 3.37Å; K233-T237 PolarHBondContact O-N 2.95Å; K233-T237 PolarHBondContact O-OG1 3.5Å |
| 234 | S | 93.4 | Very high | 88.7 | Confident | 48 Ų | 48 | 57.2 Ų | 57.2 | 34% | 0.336 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -39 | -179.8 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | R230 Y231 L232 S238 | R230-S234 WeakPolarHBondContact O-CB 3.44Å; R230-S234 PolarHBondContact O-N 2.89Å; R230-S234 PolarHBondContact O-OG 2.89Å; Y231-S234 PolarHBondContact O-N 3.46Å; L232-S234 PolarHBondContact O-N 3.37Å; S234-S238 PolarHBondContact O-N 3.41Å; S234-S238 VanDerWaalsContact O-N 3.12Å |
| 235 | Y | 92.3 | Very high | 87 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.2 | -41.5 | 176.5 | -175.1 | -79.7 | 0 | 0 | 0 | 112.7 | Y231 L232 K233 R401 C404 A405 Q411 E412 | Y231-Y235 HydrophobicContact CE1-CD2 4.26Å; Y231-Y235 WeakPolarHBondContact O-CB 3.31Å; Y231-Y235 PolarHBondContact O-N 3.49Å; L232-Y235 WeakPolarHBondContact O-CB 3.17Å; L232-Y235 PolarHBondContact O-N 2.96Å; K233-Y235 VanDerWaalsContact C-N 3.29Å; K233-Y235 PolarHBondContact O-N 2.94Å; Y235-R401 HydrophobicContact CE2-CG 3.99Å; Y235-C404 HydrophobicContact CD1-CB 3.74Å; Y235-C404 HydrophobicContact CD2-CB 3.69Å; Y235-C404 HydrophobicContact CE1-CB 3.63Å; Y235-C404 HydrophobicContact CE2-CB 3.54Å; Y235-C404 HydrophobicContact CG-CB 3.8Å; Y235-A405 WeakPolarHBondContact OH-CA 3.45Å; Y235-A405 PolarHBondContact OH-N 2.87Å; Y235-Q411 HydrophobicContact CD1-CG 4.37Å; Y235-Q411 HydrophobicContact CE1-CG 4.1Å; Y235-Q411 PolarHBondContact O-NE2 3.22Å; Y235-E412 PolarHBondContact OH-OE2 3.11Å |
| 236 | L | 92.8 | Very high | 85.3 | Confident | 60 Ų | 60 | 55.1 Ų | 55.1 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -78.4 | -31.3 | 179.7 | -64.9 | 177.3 | 0 | 0 | 0 | 112.6 | L232 K233 F408 Q411 | L232-L236 HydrophobicContact CD1-CD1 3.96Å; L232-L236 HydrophobicContact CD1-CG 4.03Å; L232-L236 HydrophobicContact CG-CD1 4Å; L232-L236 HydrophobicContact CG-CG 4.42Å; L232-L236 WeakPolarHBondContact O-CG 3.23Å; L232-L236 PolarHBondContact O-N 2.68Å; K233-L236 PolarHBondContact O-N 3.47Å; L236-F408 HydrophobicContact CD1-CD1 4.44Å; L236-F408 HydrophobicContact CD1-CE1 4.05Å; L236-F408 HydrophobicContact CD1-CE2 4.38Å; L236-F408 HydrophobicContact CD1-CZ 4.02Å; L236-F408 HydrophobicContact CD2-CB 3.92Å; L236-F408 HydrophobicContact CD2-CD1 3.64Å; L236-F408 HydrophobicContact CD2-CD2 3.98Å; L236-F408 HydrophobicContact CD2-CE1 4.1Å; L236-F408 HydrophobicContact CD2-CE2 4.42Å; L236-F408 HydrophobicContact CD2-CG 3.57Å; L236-F408 HydrophobicContact CD2-CZ 4.47Å; L236-Q411 HydrophobicContact CD2-CB 4.38Å; L236-Q411 HydrophobicContact CD2-CG 4.24Å; L236-Q411 PolarHBondContact O-NE2 2.76Å |
| 237 | T | 92.4 | Very high | 83.2 | Confident | 112 Ų | 112 | 53.7 Ų | 53.7 | 69% | 0.687 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -80.5 | -37 | -177.3 | -55.1 | 0 | 0 | 0 | 0 | 113.3 | K233 | K233-T237 WeakPolarHBondContact O-CB 3.37Å; K233-T237 PolarHBondContact O-N 2.95Å; K233-T237 PolarHBondContact O-OG1 3.5Å |
| 238 | S | 89 | Confident | 81.1 | Confident | 45 Ų | 45 | 53.1 Ų | 53.1 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | trans | -121.5 | 120.4 | -172.7 | 177.9 | 0 | 0 | 0 | 0 | 112.9 | S234 Q240 F241 | S234-S238 PolarHBondContact O-N 3.41Å; S234-S238 VanDerWaalsContact O-N 3.12Å; S238-Q240 PolarHBondContact O-N 3.22Å; S238-Q240 PolarHBondContact OG-N 3.02Å; S238-F241 WeakPolarHBondContact O-CB 3.46Å; S238-F241 PolarHBondContact O-N 3.49Å; S238-F241 PolarHBondContact OG-N 2.94Å | ||
| 239 | V | 84.6 | Confident | 78.8 | Confident | 49 Ų | 49 | 55.3 Ų | 55.3 | 30% | 0.297 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -15.4 | 172.6 | -63.6 | 0 | 0 | 0 | 0 | 113.1 | N243 R415 Y418 | V239-N243 PolarHBondContact O-ND2 2.88Å; V239-R415 HydrophobicContact CB-CG 4.19Å; V239-R415 HydrophobicContact CG1-CG 4.32Å; V239-Y418 HydrophobicContact CG2-CD1 4.3Å; V239-Y418 HydrophobicContact CG2-CD2 4.39Å; V239-Y418 HydrophobicContact CG2-CG 4.18Å |
| 240 | Q | 81.8 | Confident | 76.5 | Confident | 124 Ų | 124 | 55 Ų | 55 | 58% | 0.579 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -17.1 | -179.9 | -61.1 | -174.5 | -3.7 | 0 | 0 | 113.2 | S238 N243 Y418 | S238-Q240 PolarHBondContact O-N 3.22Å; S238-Q240 PolarHBondContact OG-N 3.02Å; Q240-N243 WeakPolarHBondContact CA-ND2 3.26Å; Q240-N243 PolarHBondContact O-ND2 3.18Å; Q240-Y418 HydrophobicContact CG-CE1 3.9Å; Q240-Y418 PolarHBondContact NE2-OH 3.14Å; Q240-Y418 VanDerWaalsContact NE2-OH 3.08Å |
| 241 | F | 83.1 | Confident | 74.3 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 26% | 0.263 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | 131.1 | -173.9 | 178.4 | -103.7 | 0 | 0 | 0 | 112.2 | Y231 S238 N243 R415 | Y231-F241 AromaticContact CD2-CE1 3.96Å; Y231-F241 HydrophobicContact CD2-CE1 3.96Å; Y231-F241 AromaticContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CD2-CZ 3.82Å; Y231-F241 HydrophobicContact CE1-CE1 4.37Å; Y231-F241 AromaticContact CE2-CE1 3.61Å; Y231-F241 HydrophobicContact CE2-CE1 3.61Å; Y231-F241 AromaticContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CE2-CZ 3.74Å; Y231-F241 HydrophobicContact CG-CE1 4.47Å; Y231-F241 AromaticContact CZ-CE1 3.84Å; S238-F241 WeakPolarHBondContact O-CB 3.46Å; S238-F241 PolarHBondContact O-N 3.49Å; S238-F241 PolarHBondContact OG-N 2.94Å; F241-N243 PolarHBondContact O-N 3.17Å; F241-R415 VanDerWaalsContact O-CZ 3.28Å; F241-R415 PolarHBondContact O-NH1 3.02Å; F241-R415 PolarHBondContact O-NH2 2.93Å |
| 242 | D | 75.8 | Confident | 71.8 | Confident | 55 Ų | 55 | 56.1 Ų | 56.1 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | 36.7 | 173.8 | -151.1 | 12.5 | 0 | 0 | 0 | 115.1 | Y231 | Y231-D242 PolarHBondContact OH-OD2 2.99Š|
| 243 | N | 73.8 | Confident | 69.4 | Low | 17 Ų | 17 | 59.1 Ų | 59.1 | 9% | 0.091 | 35% | 0.35 | C | S | . | . | trans | -96 | -2 | -178.9 | -78.1 | -15 | 0 | 0 | 0 | 115.3 | V239 Q240 F241 F245 I246 R415 L419 | V239-N243 PolarHBondContact O-ND2 2.88Å; Q240-N243 WeakPolarHBondContact CA-ND2 3.26Å; Q240-N243 PolarHBondContact O-ND2 3.18Å; F241-N243 PolarHBondContact O-N 3.17Å; N243-F245 VanDerWaalsContact C-N 3.28Å; N243-F245 PolarHBondContact O-N 3.49Å; N243-I246 PolarHBondContact O-N 2.8Å; N243-R415 PolarHBondContact OD1-NH2 3.41Å; N243-L419 HydrophobicContact CB-CD2 4.08Å | ||
| 244 | S | 63.2 | Low | 67 | Low | 65 Ų | 65 | 59.8 Ų | 59.8 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.3 | -36.9 | -171 | 53 | 0 | 0 | 0 | 0 | 113.8 | I246 A247 A248 | S244-I246 PolarHBondContact O-N 3.13Å; S244-A247 PolarHBondContact O-N 2.91Å; S244-A248 PolarHBondContact O-N 3.18Å |
| 245 | F | 56.3 | Low | 64.5 | Low | 28 Ų | 28 | 66.1 Ų | 66.1 | 12% | 0.123 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -66.5 | -35.5 | -177.2 | -176.2 | -84.4 | 0 | 0 | 0 | 113.9 | N243 S249 V263 R398 | N243-F245 VanDerWaalsContact C-N 3.28Å; N243-F245 PolarHBondContact O-N 3.49Å; F245-S249 PolarHBondContact O-N 3.17Å; F245-S249 PolarHBondContact O-OG 3.27Å; F245-V263 HydrophobicContact CD1-CB 4.35Å; F245-V263 HydrophobicContact CD1-CG1 3.73Å; F245-V263 HydrophobicContact CD1-CG2 3.95Å; F245-V263 HydrophobicContact CE1-CB 3.66Å; F245-V263 HydrophobicContact CE1-CG1 3.04Å; F245-V263 HydrophobicContact CE1-CG2 3.69Å; F245-V263 HydrophobicContact CZ-CB 4.5Å; F245-V263 HydrophobicContact CZ-CG1 3.62Å; F245-R398 VanDerWaalsContact CE2-NH2 3.25Å |
| 246 | I | 56.3 | Low | 62 | Low | 14 Ų | 14 | 71.4 Ų | 71.4 | 7% | 0.072 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -74.6 | -34 | -179.5 | -66.1 | 174.8 | 0 | 0 | 0 | 110.7 | N243 S244 S249 S250 I261 V263 R401 L419 | N243-I246 PolarHBondContact O-N 2.8Å; S244-I246 PolarHBondContact O-N 3.13Å; I246-S249 PolarHBondContact O-OG 2.86Å; I246-S250 PolarHBondContact O-N 3.25Å; I246-S250 PolarHBondContact O-OG 3.38Å; I246-I261 HydrophobicContact CG2-CG2 4.14Å; I246-V263 HydrophobicContact CG1-CG2 4.44Å; I246-R401 VanDerWaalsContact CD1-NH2 3.26Å; I246-L419 HydrophobicContact CB-CD1 4.2Å; I246-L419 HydrophobicContact CD1-CD1 3.59Å; I246-L419 HydrophobicContact CG1-CD1 4.47Å; I246-L419 HydrophobicContact CG2-CD1 4.09Å |
| 247 | A | 50.7 | Low | 59.3 | Low | 41 Ų | 41 | 73.6 Ų | 73.6 | 34% | 0.339 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S244 S250 | S244-A247 PolarHBondContact O-N 2.91Å; A247-S250 PolarHBondContact O-N 3.43Å |
| 248 | A | 48.3 | Very low | 57.1 | Low | 37 Ų | 37 | 76.6 Ų | 76.6 | 31% | 0.306 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70.9 | -36.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S244 S250 E251 T269 | S244-A248 PolarHBondContact O-N 3.18Å; A248-S250 VanDerWaalsContact C-N 3.26Å; A248-S250 PolarHBondContact O-N 2.86Å; A248-E251 PolarHBondContact O-N 3.28Å; A248-T269 HydrophobicContact CB-CG2 3.92Å |
| 249 | S | 46.5 | Very low | 54.7 | Low | 46 Ų | 46 | 81.9 Ų | 81.9 | 32% | 0.322 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68 | -24.1 | 176.2 | 42.1 | 0 | 0 | 0 | 0 | 113.4 | F245 I246 | F245-S249 PolarHBondContact O-N 3.17Å; F245-S249 PolarHBondContact O-OG 3.27Å; I246-S249 PolarHBondContact O-OG 2.86Å |
| 250 | S | 47.7 | Very low | 52.5 | Low | 37 Ų | 37 | 86.1 Ų | 86.1 | 26% | 0.259 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -13.5 | 178 | -55.6 | 0 | 0 | 0 | 0 | 113.8 | I246 A247 A248 | I246-S250 PolarHBondContact O-N 3.25Å; I246-S250 PolarHBondContact O-OG 3.38Å; A247-S250 PolarHBondContact O-N 3.43Å; A248-S250 VanDerWaalsContact C-N 3.26Å; A248-S250 PolarHBondContact O-N 2.86Å |
| 251 | E | 47.5 | Very low | 50.9 | Low | 108 Ų | 108 | 84.4 Ų | 84.4 | 51% | 0.505 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -15 | 178.8 | -76.8 | -178.2 | 173.3 | 0 | 0 | 113.2 | A248 K426 R430 | A248-E251 PolarHBondContact O-N 3.28Å; E251-K426 IonicContact OE1-NZ 2.73Å; E251-R430 IonicContact OE1-NH2 3.86Å |
| 252 | G | 43.2 | Very low | 49 | Very low | 74 Ų | 74 | 90.7 Ų | 90.7 | 76% | 0.763 | 48% | 0.481 | S | S | * | . | S | Bend | trans | -109.2 | 0.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 253 | D | 43.8 | Very low | 47.7 | Very low | 72 Ų | 72 | 90.6 Ų | 90.6 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | trans | -133.4 | 79.8 | -176.5 | -154.4 | -0.1 | 0 | 0 | 0 | 109.6 | Q255 Q256 | D253-Q255 PolarHBondContact O-N 2.97Å; D253-Q255 VanDerWaalsContact O-N 3.15Å; D253-Q256 VanDerWaalsContact OD2-CG 3.25Å; D253-Q256 WeakPolarHBondContact OD2-CG 3.3Å; D253-Q256 PolarHBondContact OD2-NE2 3.4Å | ||
| 254 | E | 45 | Very low | 46.4 | Very low | 164 Ų | 164 | 92.4 Ų | 92.4 | 77% | 0.766 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | 3.1 | -176.8 | -72.3 | -164.6 | 140.9 | 0 | 0 | 113.9 | ||
| 255 | Q | 40.1 | Very low | 45.9 | Very low | 180 Ų | 180 | 94.7 Ų | 94.7 | 84% | 0.841 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | 7.4 | -173 | -95 | 135.6 | -22.8 | 0 | 0 | 116.9 | D253 | D253-Q255 PolarHBondContact O-N 2.97Å; D253-Q255 VanDerWaalsContact O-N 3.15Å |
| 256 | Q | 39.7 | Very low | 45.7 | Very low | 111 Ų | 111 | 98 Ų | 98 | 52% | 0.519 | 54% | 0.536 | S | S | . | . | trans | -81.2 | 135.7 | 177 | -91.8 | -168 | 27.1 | 0 | 0 | 114.4 | D253 | D253-Q256 VanDerWaalsContact OD2-CG 3.25Å; D253-Q256 WeakPolarHBondContact OD2-CG 3.3Å; D253-Q256 PolarHBondContact OD2-NE2 3.4Å | ||
| 257 | P | 37.5 | Very low | 46.1 | Very low | 106 Ų | 106 | 105.1 Ų | 105.1 | 69% | 0.688 | 57% | 0.566 | S | S | * | * | trans | -64.7 | 142.8 | 176.3 | 25.5 | -31.1 | 0 | 0 | 0 | 111.6 | D259 | P257-D259 PolarHBondContact O-N 3.5Š| ||
| 258 | K | 45.6 | Very low | 46.7 | Very low | 175 Ų | 175 | 107 Ų | 107 | 76% | 0.761 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -10.7 | -168.3 | -71.1 | 179 | 174.3 | -177.3 | 0 | 117 | ||
| 259 | D | 38.5 | Very low | 47.8 | Very low | 156 Ų | 156 | 106.8 Ų | 106.8 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -8.8 | -168.2 | -83.6 | -10.8 | 0 | 0 | 0 | 116.1 | P257 | P257-D259 PolarHBondContact O-N 3.5Š|
| 260 | K | 39.1 | Very low | 48.8 | Very low | 139 Ų | 139 | 109.3 Ų | 109.3 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | trans | -139.4 | 86.9 | 178.4 | -79.6 | 177.6 | -178.5 | 161.4 | 0 | 111.5 | R262 | K260-R262 HydrophobicContact CB-CG 4.5Å; K260-R262 PolarHBondContact O-N 3.01Å | ||
| 261 | I | 47.9 | Very low | 49.9 | Very low | 87 Ų | 87 | 113.5 Ų | 113.5 | 45% | 0.446 | 60% | 0.598 | S | S | . | * | trans | -64.7 | 80.5 | 159.2 | -55.5 | 173.4 | 0 | 0 | 0 | 107.3 | I246 V263 | I246-I261 HydrophobicContact CG2-CG2 4.14Å; I261-V263 PolarHBondContact O-N 3.12Å | ||
| 262 | R | 42.7 | Very low | 51.2 | Low | 192 Ų | 192 | 109.8 Ų | 109.8 | 73% | 0.725 | 58% | 0.58 | S | S | * | * | trans | -80.1 | 98.4 | 172 | -91.1 | -175.5 | 178.5 | -173.8 | 0.9 | 107.8 | K260 A264 | K260-R262 HydrophobicContact CB-CG 4.5Å; K260-R262 PolarHBondContact O-N 3.01Å; R262-A264 PolarHBondContact O-N 2.96Å | ||
| 263 | V | 48.7 | Very low | 52.7 | Low | 54 Ų | 54 | 109.7 Ų | 109.7 | 33% | 0.327 | 57% | 0.568 | S | S | . | * | trans | -57.6 | 108.4 | 163.6 | 165.6 | 0 | 0 | 0 | 0 | 107.8 | F245 I246 I261 V265 | F245-V263 HydrophobicContact CD1-CB 4.35Å; F245-V263 HydrophobicContact CD1-CG1 3.73Å; F245-V263 HydrophobicContact CD1-CG2 3.95Å; F245-V263 HydrophobicContact CE1-CB 3.66Å; F245-V263 HydrophobicContact CE1-CG1 3.04Å; F245-V263 HydrophobicContact CE1-CG2 3.69Å; F245-V263 HydrophobicContact CZ-CB 4.5Å; F245-V263 HydrophobicContact CZ-CG1 3.62Å; I246-V263 HydrophobicContact CG1-CG2 4.44Å; I261-V263 PolarHBondContact O-N 3.12Å; V263-V265 PolarHBondContact O-N 3.38Å | ||
| 264 | A | 45.6 | Very low | 54.3 | Low | 54 Ų | 54 | 110.4 Ų | 110.4 | 45% | 0.446 | 57% | 0.574 | S | S | . | * | trans | -62.5 | 103.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | R262 C266 K267 | R262-A264 PolarHBondContact O-N 2.96Å; A264-C266 PolarHBondContact O-N 2.97Å; A264-K267 HydrophobicContact CB-CB 4.15Å; A264-K267 PolarHBondContact O-N 3.36Å | ||
| 265 | V | 53.8 | Low | 55.9 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 69% | 0.691 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -27.5 | -169.8 | 178.7 | 0 | 0 | 0 | 0 | 112.6 | V263 R398 | V263-V265 PolarHBondContact O-N 3.38Å; V265-R398 PolarHBondContact O-NH1 3.34Å |
| 266 | C | 52.5 | Low | 57.8 | Low | 98 Ų | 98 | 96.6 Ų | 96.6 | 66% | 0.662 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.8 | -3.2 | -171.7 | -143.1 | 0 | 0 | 0 | 0 | 115.5 | A264 | A264-C266 PolarHBondContact O-N 2.97Š|
| 267 | K | 63.8 | Low | 60 | Low | 162 Ų | 162 | 97.5 Ų | 97.5 | 70% | 0.704 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -86.5 | 122.9 | -180 | -160.2 | 170.4 | -178.9 | 176.6 | 0 | 109.9 | A264 R398 | A264-K267 HydrophobicContact CB-CB 4.15Å; A264-K267 PolarHBondContact O-N 3.36Å; K267-R398 PolarHBondContact O-NH1 2.83Å; K267-R398 PolarHBondContact O-NH2 2.92Å |
| 268 | I | 63.5 | Low | 62.3 | Low | 82 Ų | 82 | 97.3 Ų | 97.3 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -83.1 | 129.4 | 173.3 | -62.9 | 174.4 | 0 | 0 | 0 | 108.1 | E272 C273 | I268-E272 HydrophobicContact CG2-CB 4.04Å; I268-C273 HydrophobicContact CG2-CB 4.26Å |
| 269 | T | 70.3 | Confident | 64.2 | Low | 32 Ų | 32 | 89.4 Ų | 89.4 | 20% | 0.196 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -79.7 | 149 | 178.4 | -42.1 | 0 | 0 | 0 | 0 | 109.9 | A248 Q271 E272 C273 | A248-T269 HydrophobicContact CB-CG2 3.92Å; T269-Q271 PolarHBondContact O-N 3.06Å; T269-E272 WeakPolarHBondContact CB-OE2 3.41Å; T269-E272 PolarHBondContact N-OE2 2.95Å; T269-E272 WeakPolarHBondContact O-CA 3.32Å; T269-E272 WeakPolarHBondContact O-CB 3.38Å; T269-E272 PolarHBondContact O-N 2.92Å; T269-E272 PolarHBondContact OG1-OE2 2.93Å; T269-C273 PolarHBondContact O-N 3.37Å |
| 270 | S | 67.9 | Low | 66.7 | Low | 98 Ų | 98 | 84 Ų | 84 | 69% | 0.685 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -53.7 | -38.7 | 177.7 | 57.2 | 0 | 0 | 0 | 0 | 113 | E272 C273 T274 | S270-E272 PolarHBondContact O-N 2.92Å; S270-C273 WeakPolarHBondContact O-CB 3.36Å; S270-C273 PolarHBondContact O-N 3Å; S270-T274 PolarHBondContact O-N 3.42Å; S270-T274 VanDerWaalsContact O-N 3.08Å |
| 271 | Q | 70.3 | Confident | 69.2 | Low | 125 Ų | 125 | 80.1 Ų | 80.1 | 58% | 0.584 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.2 | -33.5 | 174.5 | -171.6 | -177.9 | 6.2 | 0 | 0 | 113.6 | T269 T274 S275 | T269-Q271 PolarHBondContact O-N 3.06Å; Q271-T274 PolarHBondContact O-OG1 3.09Å; Q271-S275 PolarHBondContact O-N 3.38Å |
| 272 | E | 75.3 | Confident | 71.3 | Confident | 30 Ų | 30 | 80 Ų | 80 | 14% | 0.14 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -73.4 | -34.3 | 175.7 | -66.4 | 172.2 | 136.2 | 0 | 0 | 110.6 | I268 T269 S270 S276 R398 | I268-E272 HydrophobicContact CG2-CB 4.04Å; T269-E272 WeakPolarHBondContact CB-OE2 3.41Å; T269-E272 PolarHBondContact N-OE2 2.95Å; T269-E272 WeakPolarHBondContact O-CA 3.32Å; T269-E272 WeakPolarHBondContact O-CB 3.38Å; T269-E272 PolarHBondContact O-N 2.92Å; T269-E272 PolarHBondContact OG1-OE2 2.93Å; S270-E272 PolarHBondContact O-N 2.92Å; E272-S276 VanDerWaalsContact O-CB 3.26Å; E272-S276 WeakPolarHBondContact O-CB 3.32Å; E272-S276 PolarHBondContact O-N 3.38Å; E272-R398 IonicContact OE1-CZ 3.93Å; E272-R398 IonicContact OE1-NE 3.82Å; E272-R398 IonicContact OE1-NH2 2.89Å; E272-R398 PolarHBondContact OE1-NH2 3.35Å; E272-R398 IonicContact OE2-NH2 3.13Å; E272-R398 PolarHBondContact OE2-NH2 2.85Å |
| 273 | C | 75.3 | Confident | 73.6 | Confident | 73 Ų | 73 | 71 Ų | 71 | 49% | 0.493 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63.7 | -46.9 | 175.4 | -173.5 | 0 | 0 | 0 | 0 | 111.8 | I268 T269 S270 S275 S276 F277 | I268-C273 HydrophobicContact CG2-CB 4.26Å; T269-C273 PolarHBondContact O-N 3.37Å; S270-C273 WeakPolarHBondContact O-CB 3.36Å; S270-C273 PolarHBondContact O-N 3Å; C273-S275 PolarHBondContact O-N 2.92Å; C273-S276 WeakPolarHBondContact O-CB 3.44Å; C273-S276 PolarHBondContact O-N 3.34Å; C273-F277 WeakPolarHBondContact O-CB 3.28Å; C273-F277 PolarHBondContact O-N 3.25Å |
| 274 | T | 77.6 | Confident | 75.7 | Confident | 86 Ų | 86 | 70 Ų | 70 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 177.9 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | S270 Q271 S276 F277 I278 | S270-T274 PolarHBondContact O-N 3.42Å; S270-T274 VanDerWaalsContact O-N 3.08Å; Q271-T274 PolarHBondContact O-OG1 3.09Å; T274-S276 VanDerWaalsContact C-N 3.35Å; T274-S276 PolarHBondContact O-N 2.95Å; T274-F277 PolarHBondContact O-N 3.29Å; T274-I278 WeakPolarHBondContact O-CG1 3.31Å; T274-I278 PolarHBondContact O-N 2.91Å |
| 275 | S | 77.8 | Confident | 78 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 25% | 0.245 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65.6 | -36.9 | 175.8 | -172.9 | 0 | 0 | 0 | 0 | 113 | Q271 C273 S279 | Q271-S275 PolarHBondContact O-N 3.38Å; C273-S275 PolarHBondContact O-N 2.92Å; S275-S279 PolarHBondContact O-N 3.33Å; S275-S279 PolarHBondContact O-OG 2.84Å |
| 276 | S | 81.1 | Confident | 79.9 | Confident | 19 Ų | 19 | 72.7 Ų | 72.7 | 13% | 0.133 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.6 | -43.1 | 174.9 | -173.7 | 0 | 0 | 0 | 0 | 111.1 | E272 C273 T274 S279 L280 V390 | E272-S276 VanDerWaalsContact O-CB 3.26Å; E272-S276 WeakPolarHBondContact O-CB 3.32Å; E272-S276 PolarHBondContact O-N 3.38Å; C273-S276 WeakPolarHBondContact O-CB 3.44Å; C273-S276 PolarHBondContact O-N 3.34Å; T274-S276 VanDerWaalsContact C-N 3.35Å; T274-S276 PolarHBondContact O-N 2.95Å; S276-S279 CarbonylContact O-C 3.54Å; S276-S279 WeakPolarHBondContact O-CB 3.13Å; S276-S279 PolarHBondContact O-N 2.83Å; S276-S279 VanDerWaalsContact O-N 3.14Å; S276-L280 PolarHBondContact O-N 2.87Å; S276-V390 VanDerWaalsContact OG-CG1 3.25Å; S276-V390 WeakPolarHBondContact OG-CG1 3.46Å |
| 277 | F | 85.3 | Confident | 81.7 | Confident | 131 Ų | 131 | 68.4 Ų | 68.4 | 58% | 0.575 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.3 | -46.1 | 177 | -177.1 | -100.6 | 0 | 0 | 0 | 112.7 | C273 T274 S279 L280 V281 | C273-F277 WeakPolarHBondContact O-CB 3.28Å; C273-F277 PolarHBondContact O-N 3.25Å; T274-F277 PolarHBondContact O-N 3.29Å; F277-S279 PolarHBondContact O-N 3.44Å; F277-L280 VanDerWaalsContact O-CB 3.31Å; F277-L280 WeakPolarHBondContact O-CB 3.5Å; F277-L280 PolarHBondContact O-N 3.48Å; F277-L280 VanDerWaalsContact O-N 3.09Å; F277-V281 HydrophobicContact CD1-CG2 4.28Å; F277-V281 HydrophobicContact CE1-CG2 3.86Å; F277-V281 HydrophobicContact CE2-CG2 4.49Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.38Å; F277-V281 PolarHBondContact O-N 3.47Å |
| 278 | I | 86.1 | Confident | 83.2 | Confident | 102 Ų | 102 | 65 Ų | 65 | 52% | 0.523 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58 | -42.5 | 174.6 | -66.2 | 165.8 | 0 | 0 | 0 | 110.5 | T274 L280 V281 I282 | T274-I278 WeakPolarHBondContact O-CG1 3.31Å; T274-I278 PolarHBondContact O-N 2.91Å; I278-L280 VanDerWaalsContact C-N 3.32Å; I278-L280 PolarHBondContact O-N 3.46Å; I278-V281 PolarHBondContact O-N 3.27Å; I278-I282 HydrophobicContact CG2-CD1 3.97Å; I278-I282 WeakPolarHBondContact O-CG1 3.49Å; I278-I282 PolarHBondContact O-N 3.17Å; I278-I282 VanDerWaalsContact O-N 3.07Å |
| 279 | S | 86.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 6% | 0.056 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -37.7 | 177.9 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | R96 S275 S276 F277 V283 | R96-S279 PolarHBondContact NH2-OG 3.18Å; S275-S279 PolarHBondContact O-N 3.33Å; S275-S279 PolarHBondContact O-OG 2.84Å; S276-S279 CarbonylContact O-C 3.54Å; S276-S279 WeakPolarHBondContact O-CB 3.13Å; S276-S279 PolarHBondContact O-N 2.83Å; S276-S279 VanDerWaalsContact O-N 3.14Å; F277-S279 PolarHBondContact O-N 3.44Å; S279-V283 VanDerWaalsContact O-CG2 3.24Å; S279-V283 WeakPolarHBondContact O-CG2 3.4Å; S279-V283 PolarHBondContact O-N 2.88Å |
| 280 | L | 90.8 | Very high | 85.7 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 175.3 | -172.1 | 69.7 | 0 | 0 | 0 | 110.6 | S276 F277 I278 I282 V283 T284 Y387 V390 | S276-L280 PolarHBondContact O-N 2.87Å; F277-L280 VanDerWaalsContact O-CB 3.31Å; F277-L280 WeakPolarHBondContact O-CB 3.5Å; F277-L280 PolarHBondContact O-N 3.48Å; F277-L280 VanDerWaalsContact O-N 3.09Å; I278-L280 VanDerWaalsContact C-N 3.32Å; I278-L280 PolarHBondContact O-N 3.46Å; L280-I282 PolarHBondContact O-N 2.94Å; L280-V283 PolarHBondContact O-N 3.29Å; L280-T284 HydrophobicContact CG-CG2 4.33Å; L280-T284 WeakPolarHBondContact O-CG2 3.37Å; L280-T284 PolarHBondContact O-N 3.48Å; L280-Y387 HydrophobicContact CD1-CD1 3.44Å; L280-Y387 VanDerWaalsContact CD1-CD1 3.44Å; L280-Y387 HydrophobicContact CD1-CE1 3.42Å; L280-Y387 VanDerWaalsContact CD1-CE1 3.42Å; L280-Y387 HydrophobicContact CD1-CG 4.33Å; L280-Y387 HydrophobicContact CG-CE1 4.4Å; L280-V390 HydrophobicContact CB-CG1 4.48Å |
| 281 | V | 91.8 | Very high | 86.9 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 35% | 0.345 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -56.8 | -48.4 | 177.9 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | F277 I278 V283 T284 L285 | F277-V281 HydrophobicContact CD1-CG2 4.28Å; F277-V281 HydrophobicContact CE1-CG2 3.86Å; F277-V281 HydrophobicContact CE2-CG2 4.49Å; F277-V281 HydrophobicContact CZ-CG2 3.98Å; F277-V281 WeakPolarHBondContact O-CG2 3.38Å; F277-V281 PolarHBondContact O-N 3.47Å; I278-V281 PolarHBondContact O-N 3.27Å; V281-V283 VanDerWaalsContact C-N 3.33Å; V281-V283 PolarHBondContact O-N 3.14Å; V281-T284 WeakPolarHBondContact CA-OG1 3.31Å; V281-T284 PolarHBondContact O-N 3.25Å; V281-T284 VanDerWaalsContact O-N 3.15Å; V281-T284 PolarHBondContact O-OG1 2.98Å; V281-L285 HydrophobicContact CG1-CD1 4.22Å; V281-L285 WeakPolarHBondContact O-CG 3.43Å; V281-L285 PolarHBondContact O-N 3.34Å |
| 282 | I | 90.6 | Very high | 88.1 | Confident | 83 Ų | 83 | 61.7 Ų | 61.7 | 43% | 0.426 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.6 | -46.6 | 178.7 | -67.2 | 166.6 | 0 | 0 | 0 | 111.1 | I278 L280 T284 L285 Y286 | I278-I282 HydrophobicContact CG2-CD1 3.97Å; I278-I282 WeakPolarHBondContact O-CG1 3.49Å; I278-I282 PolarHBondContact O-N 3.17Å; I278-I282 VanDerWaalsContact O-N 3.07Å; L280-I282 PolarHBondContact O-N 2.94Å; I282-T284 VanDerWaalsContact C-N 3.34Å; I282-T284 PolarHBondContact O-N 3.05Å; I282-L285 PolarHBondContact O-N 2.9Å; I282-Y286 HydrophobicContact CG2-CD2 3.95Å; I282-Y286 HydrophobicContact CG2-CE2 3.71Å; I282-Y286 VanDerWaalsContact O-CD2 3.26Å; I282-Y286 WeakPolarHBondContact O-CD2 3.5Å; I282-Y286 PolarHBondContact O-N 3.21Å |
| 283 | V | 91.9 | Very high | 89 | Confident | 3 Ų | 3 | 63.1 Ų | 63.1 | 2% | 0.018 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 177.4 | 170.9 | 0 | 0 | 0 | 0 | 110.2 | S279 L280 V281 L285 Y286 F287 Y387 V390 | S279-V283 VanDerWaalsContact O-CG2 3.24Å; S279-V283 WeakPolarHBondContact O-CG2 3.4Å; S279-V283 PolarHBondContact O-N 2.88Å; L280-V283 PolarHBondContact O-N 3.29Å; V281-V283 VanDerWaalsContact C-N 3.33Å; V281-V283 PolarHBondContact O-N 3.14Å; V283-L285 VanDerWaalsContact C-N 3.31Å; V283-L285 PolarHBondContact O-N 3.39Å; V283-Y286 PolarHBondContact O-N 3.04Å; V283-F287 HydrophobicContact CG1-CD2 3.66Å; V283-F287 HydrophobicContact CG1-CE2 3.72Å; V283-F287 VanDerWaalsContact O-CD2 3.25Å; V283-F287 WeakPolarHBondContact O-CD2 3.5Å; V283-F287 PolarHBondContact O-N 3.17Å; V283-F287 VanDerWaalsContact O-N 3.13Å; V283-Y387 HydrophobicContact CG1-CD2 3.98Å; V283-Y387 HydrophobicContact CG1-CE2 3.78Å; V283-V390 HydrophobicContact CG2-CG2 4.28Å |
| 284 | T | 92.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 60.4 Ų | 60.4 | 22% | 0.215 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 178.9 | 69 | 0 | 0 | 0 | 0 | 111.9 | L280 V281 I282 Y286 F287 I288 Y387 | L280-T284 HydrophobicContact CG-CG2 4.33Å; L280-T284 WeakPolarHBondContact O-CG2 3.37Å; L280-T284 PolarHBondContact O-N 3.48Å; V281-T284 WeakPolarHBondContact CA-OG1 3.31Å; V281-T284 PolarHBondContact O-N 3.25Å; V281-T284 VanDerWaalsContact O-N 3.15Å; V281-T284 PolarHBondContact O-OG1 2.98Å; I282-T284 VanDerWaalsContact C-N 3.34Å; I282-T284 PolarHBondContact O-N 3.05Å; T284-Y286 PolarHBondContact O-N 3.4Å; T284-F287 PolarHBondContact O-N 3.43Å; T284-I288 VanDerWaalsContact O-CG1 3.26Å; T284-I288 WeakPolarHBondContact O-CG1 3.12Å; T284-I288 PolarHBondContact O-N 3.08Å; T284-Y387 HydrophobicContact CG2-CE1 4.26Å; T284-Y387 WeakPolarHBondContact CG2-OH 3.03Å |
| 285 | L | 93.9 | Very high | 90.6 | Very high | 101 Ų | 101 | 59.9 Ų | 59.9 | 53% | 0.529 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 179.6 | -70.1 | 172.2 | 0 | 0 | 0 | 112.3 | V281 I282 V283 F287 I288 S289 | V281-L285 HydrophobicContact CG1-CD1 4.22Å; V281-L285 WeakPolarHBondContact O-CG 3.43Å; V281-L285 PolarHBondContact O-N 3.34Å; I282-L285 PolarHBondContact O-N 2.9Å; V283-L285 VanDerWaalsContact C-N 3.31Å; V283-L285 PolarHBondContact O-N 3.39Å; L285-F287 VanDerWaalsContact C-N 3.33Å; L285-F287 PolarHBondContact O-N 3.28Å; L285-I288 PolarHBondContact O-N 3.4Å; L285-S289 PolarHBondContact O-N 3.15Å; L285-S289 VanDerWaalsContact O-N 3.1Å; L285-S289 PolarHBondContact O-OG 2.87Å |
| 286 | Y | 92.9 | Very high | 91.4 | Very high | 122 Ų | 122 | 62.2 Ų | 62.2 | 48% | 0.478 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 176.4 | -82.5 | -69.6 | 0 | 0 | 0 | 112.1 | I100 I282 V283 T284 S289 I290 | I100-Y286 HydrophobicContact CD1-CD2 3.93Å; I100-Y286 HydrophobicContact CD1-CE2 4.42Å; I100-Y286 HydrophobicContact CD1-CG 4.35Å; I100-Y286 HydrophobicContact CG2-CD1 3.98Å; I100-Y286 HydrophobicContact CG2-CD2 4.5Å; I100-Y286 HydrophobicContact CG2-CE1 4.39Å; I100-Y286 HydrophobicContact CG2-CG 4.05Å; I282-Y286 HydrophobicContact CG2-CD2 3.95Å; I282-Y286 HydrophobicContact CG2-CE2 3.71Å; I282-Y286 VanDerWaalsContact O-CD2 3.26Å; I282-Y286 WeakPolarHBondContact O-CD2 3.5Å; I282-Y286 PolarHBondContact O-N 3.21Å; V283-Y286 PolarHBondContact O-N 3.04Å; T284-Y286 PolarHBondContact O-N 3.4Å; Y286-S289 PolarHBondContact O-N 3.29Å; Y286-I290 WeakPolarHBondContact O-CG1 3.27Å; Y286-I290 PolarHBondContact O-N 3.03Å |
| 287 | F | 91.8 | Very high | 91.9 | Very high | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.035 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -72.5 | -32.7 | -179.4 | -79.3 | -77.9 | 0 | 0 | 0 | 112.7 | V283 T284 L285 S289 I290 T291 W383 | V283-F287 HydrophobicContact CG1-CD2 3.66Å; V283-F287 HydrophobicContact CG1-CE2 3.72Å; V283-F287 VanDerWaalsContact O-CD2 3.25Å; V283-F287 WeakPolarHBondContact O-CD2 3.5Å; V283-F287 PolarHBondContact O-N 3.17Å; V283-F287 VanDerWaalsContact O-N 3.13Å; T284-F287 PolarHBondContact O-N 3.43Å; L285-F287 VanDerWaalsContact C-N 3.33Å; L285-F287 PolarHBondContact O-N 3.28Å; F287-S289 VanDerWaalsContact C-N 3.34Å; F287-S289 PolarHBondContact O-N 3.41Å; F287-I290 HydrophobicContact CD1-CD1 4.29Å; F287-I290 HydrophobicContact CE1-CD1 4.47Å; F287-I290 PolarHBondContact O-N 3.29Å; F287-T291 WeakPolarHBondContact O-CB 3.38Å; F287-T291 PolarHBondContact O-N 3.36Å; F287-T291 PolarHBondContact O-OG1 3.14Å; F287-W383 HydrophobicContact CB-CG 4.4Å; F287-W383 HydrophobicContact CD1-CB 3.73Å; F287-W383 AromaticContact CD1-CD1 3.41Å; F287-W383 VanDerWaalsContact CD1-CD1 3.41Å; F287-W383 AromaticContact CD1-CG 3.79Å; F287-W383 HydrophobicContact CD1-CG 3.79Å; F287-W383 AromaticContact CD2-CD1 3.3Å; F287-W383 HydrophobicContact CD2-CG 4.34Å; F287-W383 AromaticContact CD2-NE1 3.96Å; F287-W383 VanDerWaalsContact CE1-CA 3.46Å; F287-W383 HydrophobicContact CE1-CB 3.57Å; F287-W383 AromaticContact CE1-CD1 3.89Å; F287-W383 HydrophobicContact CE1-CG 4.1Å; F287-W383 AromaticContact CE2-CD1 3.78Å; F287-W383 HydrophobicContact CG-CB 4.31Å; F287-W383 AromaticContact CG-CD1 3.09Å; F287-W383 AromaticContact CG-CG 3.93Å; F287-W383 HydrophobicContact CG-CG 3.93Å; F287-W383 AromaticContact CG-NE1 3.65Å; F287-W383 VanDerWaalsContact CZ-CA 3.42Å; F287-W383 HydrophobicContact CZ-CB 4.04Å; F287-W383 HydrophobicContact CZ-CG 4.5Å |
| 288 | I | 94.1 | Very high | 92.2 | Very high | 91 Ų | 91 | 58.7 Ų | 58.7 | 47% | 0.467 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -57.6 | -49.2 | 169.3 | -71.2 | 163.7 | 0 | 0 | 0 | 110 | T284 L285 I290 T291 L292 | T284-I288 VanDerWaalsContact O-CG1 3.26Å; T284-I288 WeakPolarHBondContact O-CG1 3.12Å; T284-I288 PolarHBondContact O-N 3.08Å; L285-I288 PolarHBondContact O-N 3.4Å; I288-I290 VanDerWaalsContact C-N 3.32Å; I288-I290 PolarHBondContact O-N 2.87Å; I288-T291 PolarHBondContact O-N 3.34Å; I288-L292 HydrophobicContact CG2-CD1 4.13Å; I288-L292 HydrophobicContact CG2-CG 4.42Å; I288-L292 VanDerWaalsContact O-CG 3.32Å; I288-L292 WeakPolarHBondContact O-CG 3.28Å; I288-L292 PolarHBondContact O-N 2.98Å |
| 289 | S | 93.9 | Very high | 92.5 | Very high | 65 Ų | 65 | 57.1 Ų | 57.1 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 112.7 | L285 Y286 F287 L292 I293 | L285-S289 PolarHBondContact O-N 3.15Å; L285-S289 VanDerWaalsContact O-N 3.1Å; L285-S289 PolarHBondContact O-OG 2.87Å; Y286-S289 PolarHBondContact O-N 3.29Å; F287-S289 VanDerWaalsContact C-N 3.34Å; F287-S289 PolarHBondContact O-N 3.41Å; S289-L292 PolarHBondContact O-N 2.88Å; S289-I293 WeakPolarHBondContact O-CG1 3.5Å; S289-I293 PolarHBondContact O-N 3.41Å |
| 290 | I | 93.1 | Very high | 92.6 | Very high | 10 Ų | 10 | 57.5 Ų | 57.5 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65 | -46.2 | 176.6 | -68.4 | 167.8 | 0 | 0 | 0 | 110.6 | L107 Y286 F287 I288 L292 I293 V294 L379 | L107-I290 HydrophobicContact CD1-CG2 4.39Å; Y286-I290 WeakPolarHBondContact O-CG1 3.27Å; Y286-I290 PolarHBondContact O-N 3.03Å; F287-I290 HydrophobicContact CD1-CD1 4.29Å; F287-I290 HydrophobicContact CE1-CD1 4.47Å; F287-I290 PolarHBondContact O-N 3.29Å; I288-I290 VanDerWaalsContact C-N 3.32Å; I288-I290 PolarHBondContact O-N 2.87Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 3.44Å; I290-I293 PolarHBondContact O-N 3.02Å; I290-V294 HydrophobicContact CG2-CG2 4.48Å; I290-V294 WeakPolarHBondContact O-CG2 3.22Å; I290-V294 PolarHBondContact O-N 3.24Å; I290-L379 HydrophobicContact CG2-CD1 4.24Å; I290-L379 HydrophobicContact CG2-CD2 4.3Å |
| 291 | T | 93.2 | Very high | 92.6 | Very high | 80 Ų | 80 | 57.5 Ų | 57.5 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 178 | -64.1 | 0 | 0 | 0 | 0 | 111.3 | F287 I288 I293 V294 V295 | F287-T291 WeakPolarHBondContact O-CB 3.38Å; F287-T291 PolarHBondContact O-N 3.36Å; F287-T291 PolarHBondContact O-OG1 3.14Å; I288-T291 PolarHBondContact O-N 3.34Å; T291-I293 VanDerWaalsContact C-N 3.3Å; T291-I293 PolarHBondContact O-N 2.76Å; T291-V294 PolarHBondContact O-N 3.17Å; T291-V295 HydrophobicContact CG2-CG2 4.19Å; T291-V295 WeakPolarHBondContact O-CB 3.48Å; T291-V295 VanDerWaalsContact O-CG2 3.28Å; T291-V295 WeakPolarHBondContact O-CG2 3.42Å; T291-V295 PolarHBondContact O-N 2.97Å |
| 292 | L | 95.1 | Very high | 92.5 | Very high | 113 Ų | 113 | 59.5 Ų | 59.5 | 59% | 0.592 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -58.4 | -41.7 | 176.1 | -72.3 | 172 | 0 | 0 | 0 | 112.1 | I288 S289 I290 V295 L296 | I288-L292 HydrophobicContact CG2-CD1 4.13Å; I288-L292 HydrophobicContact CG2-CG 4.42Å; I288-L292 VanDerWaalsContact O-CG 3.32Å; I288-L292 WeakPolarHBondContact O-CG 3.28Å; I288-L292 PolarHBondContact O-N 2.98Å; S289-L292 PolarHBondContact O-N 2.88Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 3.44Å; L292-V295 PolarHBondContact O-N 3.43Å; L292-L296 WeakPolarHBondContact O-CB 3.33Å; L292-L296 PolarHBondContact O-N 2.84Å |
| 293 | I | 94.1 | Very high | 92.3 | Very high | 59 Ų | 59 | 59.2 Ų | 59.2 | 30% | 0.303 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.6 | -37 | 179 | -60.6 | 166.7 | 0 | 0 | 0 | 111.3 | L107 V111 I115 S289 I290 T291 L296 D297 | L107-I293 HydrophobicContact CD1-CB 4.01Å; L107-I293 HydrophobicContact CD1-CG2 3.75Å; L107-I293 HydrophobicContact CD2-CB 4.15Å; L107-I293 HydrophobicContact CD2-CD1 3.6Å; L107-I293 HydrophobicContact CD2-CG1 4.46Å; L107-I293 HydrophobicContact CD2-CG2 4.03Å; L107-I293 HydrophobicContact CG-CG2 4.11Å; V111-I293 HydrophobicContact CG1-CG2 4.33Å; I115-I293 HydrophobicContact CD1-CG2 4.04Å; S289-I293 WeakPolarHBondContact O-CG1 3.5Å; S289-I293 PolarHBondContact O-N 3.41Å; I290-I293 PolarHBondContact O-N 3.02Å; T291-I293 VanDerWaalsContact C-N 3.3Å; T291-I293 PolarHBondContact O-N 2.76Å; I293-L296 WeakPolarHBondContact O-CB 3.23Å; I293-L296 PolarHBondContact O-N 3.39Å; I293-D297 PolarHBondContact O-N 3.3Å; I293-D297 VanDerWaalsContact O-N 3.12Å |
| 294 | V | 93.6 | Very high | 91.8 | Very high | 17 Ų | 17 | 59 Ų | 59 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -43 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 111.1 | L107 V111 I290 T291 L296 D297 H298 L379 | L107-V294 HydrophobicContact CD1-CG2 4.04Å; V111-V294 HydrophobicContact CG2-CG2 4.34Å; I290-V294 HydrophobicContact CG2-CG2 4.48Å; I290-V294 WeakPolarHBondContact O-CG2 3.22Å; I290-V294 PolarHBondContact O-N 3.24Å; T291-V294 PolarHBondContact O-N 3.17Å; V294-L296 VanDerWaalsContact C-N 3.28Å; V294-L296 PolarHBondContact O-N 2.87Å; V294-D297 WeakPolarHBondContact O-CB 3.46Å; V294-D297 PolarHBondContact O-N 3.23Å; V294-D297 VanDerWaalsContact O-N 3.14Å; V294-H298 PolarHBondContact O-CD2 2.97Å; V294-H298 PolarHBondContact O-N 3.18Å; V294-L379 HydrophobicContact CG2-CD1 3.91Å |
| 295 | V | 93.5 | Very high | 91.4 | Very high | 74 Ų | 74 | 61.6 Ų | 61.6 | 45% | 0.448 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 174.6 | 169.4 | 0 | 0 | 0 | 0 | 110.3 | T291 L292 D297 H298 V299 | T291-V295 HydrophobicContact CG2-CG2 4.19Å; T291-V295 WeakPolarHBondContact O-CB 3.48Å; T291-V295 VanDerWaalsContact O-CG2 3.28Å; T291-V295 WeakPolarHBondContact O-CG2 3.42Å; T291-V295 PolarHBondContact O-N 2.97Å; L292-V295 PolarHBondContact O-N 3.43Å; V295-D297 VanDerWaalsContact C-N 3.28Å; V295-D297 PolarHBondContact O-N 2.58Å; V295-H298 PolarHBondContact O-N 3.29Å; V295-H298 VanDerWaalsContact O-N 3.16Å; V295-V299 HydrophobicContact CG1-CG2 4.13Å; V295-V299 WeakPolarHBondContact O-CG2 3.32Å; V295-V299 PolarHBondContact O-N 2.93Å |
| 296 | L | 93.1 | Very high | 91 | Very high | 85 Ų | 85 | 61.5 Ų | 61.5 | 45% | 0.445 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -57.4 | -40.6 | 174.3 | -179.5 | 63.9 | 0 | 0 | 0 | 112 | L292 I293 V294 H298 V299 V300 | L292-L296 WeakPolarHBondContact O-CB 3.33Å; L292-L296 PolarHBondContact O-N 2.84Å; I293-L296 WeakPolarHBondContact O-CB 3.23Å; I293-L296 PolarHBondContact O-N 3.39Å; V294-L296 VanDerWaalsContact C-N 3.28Å; V294-L296 PolarHBondContact O-N 2.87Å; L296-H298 PolarHBondContact O-N 3.27Å; L296-V299 PolarHBondContact O-N 3.23Å; L296-V300 HydrophobicContact CD1-CG2 4.04Å; L296-V300 HydrophobicContact CG-CG2 4.3Å; L296-V300 WeakPolarHBondContact O-CB 3.33Å; L296-V300 VanDerWaalsContact O-CG2 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.15Å |
| 297 | D | 93.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.032 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -44.6 | 175.2 | -170.4 | 35.6 | 0 | 0 | 0 | 112.5 | V111 N114 I115 I293 V294 V295 Y301 | V111-D297 HydrophobicContact CG1-CB 3.76Å; N114-D297 VanDerWaalsContact ND2-CG 3.3Å; N114-D297 PolarHBondContact ND2-OD1 3.48Å; N114-D297 PolarHBondContact ND2-OD2 3.13Å; I115-D297 HydrophobicContact CD1-CB 3.99Å; I115-D297 HydrophobicContact CG1-CB 3.58Å; I115-D297 WeakPolarHBondContact CG1-OD1 3.4Å; I115-D297 PolarHBondContact N-OD1 3.26Å; I293-D297 PolarHBondContact O-N 3.3Å; I293-D297 VanDerWaalsContact O-N 3.12Å; V294-D297 WeakPolarHBondContact O-CB 3.46Å; V294-D297 PolarHBondContact O-N 3.23Å; V294-D297 VanDerWaalsContact O-N 3.14Å; V295-D297 VanDerWaalsContact C-N 3.28Å; V295-D297 PolarHBondContact O-N 2.58Å; D297-Y301 WeakPolarHBondContact O-CB 3.32Å; D297-Y301 PolarHBondContact O-N 3Å |
| 298 | H | 91.5 | Very high | 89.5 | Confident | 70 Ų | 70 | 60.3 Ų | 60.3 | 32% | 0.324 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.1 | -80.3 | -85.4 | 0 | 0 | 0 | 112.5 | V294 V295 L296 Y301 H302 | V294-H298 PolarHBondContact O-CD2 2.97Å; V294-H298 PolarHBondContact O-N 3.18Å; V295-H298 PolarHBondContact O-N 3.29Å; V295-H298 VanDerWaalsContact O-N 3.16Å; L296-H298 PolarHBondContact O-N 3.27Å; H298-Y301 PolarHBondContact O-N 2.97Å; H298-H302 PolarHBondContact O-CD2 3.3Å; H298-H302 PolarHBondContact O-N 3.46Å |
| 299 | V | 91.6 | Very high | 88.6 | Confident | 68 Ų | 68 | 59 Ų | 59 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.6 | -49.4 | 177.7 | 169.3 | 0 | 0 | 0 | 0 | 110.5 | V295 L296 Y301 H302 I303 | V295-V299 HydrophobicContact CG1-CG2 4.13Å; V295-V299 WeakPolarHBondContact O-CG2 3.32Å; V295-V299 PolarHBondContact O-N 2.93Å; L296-V299 PolarHBondContact O-N 3.23Å; V299-Y301 VanDerWaalsContact C-N 3.33Å; V299-Y301 PolarHBondContact O-N 3.29Å; V299-H302 PolarHBondContact O-N 3.4Å; V299-I303 HydrophobicContact CG1-CD1 3.75Å; V299-I303 HydrophobicContact CG1-CG1 4.35Å; V299-I303 VanDerWaalsContact O-CG1 3.27Å; V299-I303 WeakPolarHBondContact O-CG1 3.1Å; V299-I303 PolarHBondContact O-N 3.41Å |
| 300 | V | 89.4 | Confident | 87.8 | Confident | 16 Ų | 16 | 63.1 Ų | 63.1 | 10% | 0.097 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -41.6 | 179.1 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | N118 V119 L296 I303 V304 | N118-V300 HydrophobicContact CB-CG1 3.62Å; V119-V300 HydrophobicContact CG2-CG1 3.85Å; L296-V300 HydrophobicContact CD1-CG2 4.04Å; L296-V300 HydrophobicContact CG-CG2 4.3Å; L296-V300 WeakPolarHBondContact O-CB 3.33Å; L296-V300 VanDerWaalsContact O-CG2 3.26Å; L296-V300 WeakPolarHBondContact O-CG2 3.36Å; L296-V300 PolarHBondContact O-N 3.15Å; V300-I303 PolarHBondContact O-N 3.04Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 2.67Å; V300-V304 VanDerWaalsContact O-N 3.08Å |
| 301 | Y | 90 | Very high | 86.7 | Confident | 44 Ų | 44 | 63.2 Ų | 63.2 | 17% | 0.173 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.6 | -47.9 | 175 | 172.7 | -106.3 | 0 | 0 | 0 | 112.2 | D297 H298 V299 V304 Q305 A370 P371 | D297-Y301 WeakPolarHBondContact O-CB 3.32Å; D297-Y301 PolarHBondContact O-N 3Å; H298-Y301 PolarHBondContact O-N 2.97Å; V299-Y301 VanDerWaalsContact C-N 3.33Å; V299-Y301 PolarHBondContact O-N 3.29Å; Y301-V304 PolarHBondContact O-N 3.36Å; Y301-Q305 HydrophobicContact CE1-CG 4.41Å; Y301-Q305 HydrophobicContact CE2-CG 4.47Å; Y301-Q305 VanDerWaalsContact CZ-NE2 3.28Å; Y301-Q305 PolarHBondContact O-N 3.39Å; Y301-Q305 VanDerWaalsContact O-N 3.15Å; Y301-Q305 PolarHBondContact OH-NE2 3.36Å; Y301-A370 HydrophobicContact CE2-CB 3.85Å; Y301-P371 HydrophobicContact CG-CG 4.44Å |
| 302 | H | 88.8 | Confident | 85.4 | Confident | 99 Ų | 99 | 64.8 Ų | 64.8 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.7 | -36.6 | 177.7 | -76.8 | -57.8 | 0 | 0 | 0 | 112.9 | H298 V299 V304 Q305 V306 | H298-H302 PolarHBondContact O-CD2 3.3Å; H298-H302 PolarHBondContact O-N 3.46Å; V299-H302 PolarHBondContact O-N 3.4Å; H302-V304 VanDerWaalsContact C-N 3.31Å; H302-V304 PolarHBondContact O-N 3.39Å; H302-Q305 PolarHBondContact ND1-OE1 3.31Å; H302-Q305 WeakPolarHBondContact O-CB 3.44Å; H302-Q305 PolarHBondContact O-N 3.08Å; H302-V306 WeakPolarHBondContact O-CG2 3.38Å; H302-V306 PolarHBondContact O-N 3.13Å |
| 303 | I | 86.3 | Confident | 84.3 | Confident | 77 Ų | 77 | 65.7 Ų | 65.7 | 40% | 0.395 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 173.4 | -74.2 | 169.2 | 0 | 0 | 0 | 110.1 | V122 V299 V300 Q305 V306 I307 | V122-I303 HydrophobicContact CG2-CG2 4.49Å; V299-I303 HydrophobicContact CG1-CD1 3.75Å; V299-I303 HydrophobicContact CG1-CG1 4.35Å; V299-I303 VanDerWaalsContact O-CG1 3.27Å; V299-I303 WeakPolarHBondContact O-CG1 3.1Å; V299-I303 PolarHBondContact O-N 3.41Å; V300-I303 PolarHBondContact O-N 3.04Å; I303-Q305 VanDerWaalsContact C-N 3.31Å; I303-Q305 PolarHBondContact O-N 3.25Å; I303-V306 PolarHBondContact O-N 2.89Å; I303-I307 HydrophobicContact CG2-CD1 3.39Å; I303-I307 HydrophobicContact CG2-CG1 4.05Å; I303-I307 WeakPolarHBondContact O-CB 3.42Å; I303-I307 VanDerWaalsContact O-CG1 3.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.32Å; I303-I307 PolarHBondContact O-N 3.11Å |
| 304 | V | 83.1 | Confident | 83.2 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.2 | -41.6 | 178.1 | -179.8 | 0 | 0 | 0 | 0 | 111.1 | N118 A121 V122 I125 V300 Y301 H302 V306 I307 V308 T368 | N118-V304 HydrophobicContact CB-CG2 4.29Å; N118-V304 WeakPolarHBondContact O-CG2 3.09Å; A121-V304 HydrophobicContact CB-CG1 4.18Å; A121-V304 HydrophobicContact CB-CG2 4.38Å; V122-V304 HydrophobicContact CG2-CG2 3.41Å; V122-V304 VanDerWaalsContact CG2-CG2 3.41Å; I125-V304 HydrophobicContact CD1-CG1 4.28Å; V300-V304 WeakPolarHBondContact O-CG2 3.42Å; V300-V304 PolarHBondContact O-N 2.67Å; V300-V304 VanDerWaalsContact O-N 3.08Å; Y301-V304 PolarHBondContact O-N 3.36Å; H302-V304 VanDerWaalsContact C-N 3.31Å; H302-V304 PolarHBondContact O-N 3.39Å; V304-V306 VanDerWaalsContact C-N 3.27Å; V304-V306 PolarHBondContact O-N 2.93Å; V304-I307 PolarHBondContact O-N 2.98Å; V304-V308 HydrophobicContact CG1-CG2 4.31Å; V304-V308 VanDerWaalsContact O-CG2 3.3Å; V304-V308 WeakPolarHBondContact O-CG2 3.06Å; V304-V308 PolarHBondContact O-N 3.42Å; V304-T368 HydrophobicContact CB-CG2 4.48Å; V304-T368 HydrophobicContact CG1-CG2 3.48Å; V304-T368 VanDerWaalsContact CG1-CG2 3.48Å |
| 305 | Q | 83.7 | Confident | 82 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 41% | 0.411 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 177.8 | -71.3 | -170.6 | -41.9 | 0 | 0 | 113.7 | Y301 H302 I303 P309 | Y301-Q305 HydrophobicContact CE1-CG 4.41Å; Y301-Q305 HydrophobicContact CE2-CG 4.47Å; Y301-Q305 VanDerWaalsContact CZ-NE2 3.28Å; Y301-Q305 PolarHBondContact O-N 3.39Å; Y301-Q305 VanDerWaalsContact O-N 3.15Å; Y301-Q305 PolarHBondContact OH-NE2 3.36Å; H302-Q305 PolarHBondContact ND1-OE1 3.31Å; H302-Q305 WeakPolarHBondContact O-CB 3.44Å; H302-Q305 PolarHBondContact O-N 3.08Å; I303-Q305 VanDerWaalsContact C-N 3.31Å; I303-Q305 PolarHBondContact O-N 3.25Å; Q305-P309 WeakPolarHBondContact O-CD 3.3Å; Q305-P309 WeakPolarHBondContact O-CG 3.49Å |
| 306 | V | 84.9 | Confident | 81 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 61% | 0.606 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -84.5 | -39.9 | 178.4 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | H302 I303 V304 V308 P309 W310 | H302-V306 WeakPolarHBondContact O-CG2 3.38Å; H302-V306 PolarHBondContact O-N 3.13Å; I303-V306 PolarHBondContact O-N 2.89Å; V304-V306 VanDerWaalsContact C-N 3.27Å; V304-V306 PolarHBondContact O-N 2.93Å; V306-V308 PolarHBondContact O-N 3.36Å; V306-P309 WeakPolarHBondContact O-CD 3.35Å; V306-P309 WeakPolarHBondContact O-CG 3.36Å; V306-W310 WeakPolarHBondContact O-CB 3.31Å; V306-W310 PolarHBondContact O-N 3.46Å |
| 307 | I | 79.3 | Confident | 80.1 | Confident | 41 Ų | 41 | 68 Ų | 68 | 21% | 0.21 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | -177.9 | -72.9 | 178.1 | 0 | 0 | 0 | 111.3 | V122 I125 I303 V304 W310 V311 | V122-I307 HydrophobicContact CG1-CD1 4.39Å; I125-I307 HydrophobicContact CD1-CG2 4.23Å; I125-I307 HydrophobicContact CG2-CG2 3.81Å; I303-I307 HydrophobicContact CG2-CD1 3.39Å; I303-I307 HydrophobicContact CG2-CG1 4.05Å; I303-I307 WeakPolarHBondContact O-CB 3.42Å; I303-I307 VanDerWaalsContact O-CG1 3.31Å; I303-I307 WeakPolarHBondContact O-CG1 3.32Å; I303-I307 PolarHBondContact O-N 3.11Å; V304-I307 PolarHBondContact O-N 2.98Å; I307-W310 PolarHBondContact O-N 3.01Å; I307-V311 HydrophobicContact CG2-CG2 3.8Å; I307-V311 WeakPolarHBondContact O-CB 3.43Å; I307-V311 WeakPolarHBondContact O-CG2 3.36Å; I307-V311 PolarHBondContact O-N 3.29Å |
| 308 | V | 74.3 | Confident | 79.2 | Confident | 63 Ų | 63 | 72.4 Ų | 72.4 | 38% | 0.382 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -54.4 | -57.2 | -178 | 169.7 | 0 | 0 | 0 | 0 | 112.4 | I125 V304 V306 V311 M312 | I125-V308 HydrophobicContact CD1-CG2 3.53Å; V304-V308 HydrophobicContact CG1-CG2 4.31Å; V304-V308 VanDerWaalsContact O-CG2 3.3Å; V304-V308 WeakPolarHBondContact O-CG2 3.06Å; V304-V308 PolarHBondContact O-N 3.42Å; V306-V308 PolarHBondContact O-N 3.36Å; V308-V311 PolarHBondContact O-N 3.37Å; V308-M312 WeakPolarHBondContact O-CG 3.45Å; V308-M312 PolarHBondContact O-N 3.45Å |
| 309 | P | 75.6 | Confident | 78.5 | Confident | 65 Ų | 65 | 70 Ų | 70 | 42% | 0.422 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.1 | -37.5 | 176.6 | 23.8 | -31.7 | 0 | 0 | 0 | 112.5 | Q305 V306 V311 M312 D313 | Q305-P309 WeakPolarHBondContact O-CD 3.3Å; Q305-P309 WeakPolarHBondContact O-CG 3.49Å; V306-P309 WeakPolarHBondContact O-CD 3.35Å; V306-P309 WeakPolarHBondContact O-CG 3.36Å; P309-V311 VanDerWaalsContact C-N 3.33Å; P309-V311 PolarHBondContact O-N 3.41Å; P309-M312 PolarHBondContact O-N 2.74Å; P309-M312 VanDerWaalsContact O-N 3.15Å; P309-D313 PolarHBondContact O-N 3.1Å |
| 310 | W | 76.1 | Confident | 77.8 | Confident | 151 Ų | 151 | 69.6 Ų | 69.6 | 57% | 0.572 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.8 | -38.7 | 178.4 | 178.2 | 81.3 | 0 | 0 | 0 | 113.4 | V306 I307 D313 F314 | V306-W310 WeakPolarHBondContact O-CB 3.31Å; V306-W310 PolarHBondContact O-N 3.46Å; I307-W310 PolarHBondContact O-N 3.01Å; W310-D313 PolarHBondContact O-N 3.25Å; W310-F314 AromaticContact CH2-CD2 3.6Å; W310-F314 HydrophobicContact CH2-CD2 3.6Å; W310-F314 AromaticContact CH2-CE2 3.59Å; W310-F314 HydrophobicContact CH2-CE2 3.59Å; W310-F314 AromaticContact CZ2-CD2 3.55Å; W310-F314 HydrophobicContact CZ2-CD2 3.55Å; W310-F314 AromaticContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ3-CD2 4.19Å; W310-F314 PolarHBondContact O-N 3.36Å |
| 311 | V | 69.9 | Low | 77.3 | Confident | 12 Ų | 12 | 70.8 Ų | 70.8 | 7% | 0.073 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.9 | -35.8 | 176.3 | 168.2 | 0 | 0 | 0 | 0 | 111.6 | I125 T129 I307 V308 P309 D313 | I125-V311 HydrophobicContact CG2-CB 4.38Å; I125-V311 HydrophobicContact CG2-CG1 4.38Å; I125-V311 HydrophobicContact CG2-CG2 3.78Å; T129-V311 VanDerWaalsContact OG1-CG1 3.23Å; T129-V311 WeakPolarHBondContact OG1-CG1 3.34Å; I307-V311 HydrophobicContact CG2-CG2 3.8Å; I307-V311 WeakPolarHBondContact O-CB 3.43Å; I307-V311 WeakPolarHBondContact O-CG2 3.36Å; I307-V311 PolarHBondContact O-N 3.29Å; V308-V311 PolarHBondContact O-N 3.37Å; P309-V311 VanDerWaalsContact C-N 3.33Å; P309-V311 PolarHBondContact O-N 3.41Å; V311-D313 VanDerWaalsContact C-N 3.31Å |
| 312 | M | 67.4 | Low | 76.9 | Confident | 113 Ų | 113 | 72.4 Ų | 72.4 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -67.5 | -33 | 176.5 | -65.4 | -62.9 | -61.7 | 0 | 0 | 112.1 | V308 P309 P361 | V308-M312 WeakPolarHBondContact O-CG 3.45Å; V308-M312 PolarHBondContact O-N 3.45Å; P309-M312 PolarHBondContact O-N 2.74Å; P309-M312 VanDerWaalsContact O-N 3.15Å; M312-P361 HydrophobicContact CE-CB 4.42Å; M312-P361 HydrophobicContact CE-CG 4.27Å; M312-P361 HydrophobicContact SD-CB 3.46Å; M312-P361 WeakPolarHBondContact SD-CB 3.19Å; M312-P361 HydrophobicContact SD-CG 3.73Å |
| 313 | D | 71.8 | Confident | 76.5 | Confident | 132 Ų | 132 | 69.1 Ų | 69.1 | 71% | 0.706 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | 8.5 | -178 | -66.7 | -23.8 | 0 | 0 | 0 | 113.5 | P309 W310 V311 | P309-D313 PolarHBondContact O-N 3.1Å; W310-D313 PolarHBondContact O-N 3.25Å; V311-D313 VanDerWaalsContact C-N 3.31Å |
| 314 | F | 69.8 | Low | 76.2 | Confident | 62 Ų | 62 | 69.6 Ų | 69.6 | 27% | 0.272 | 40% | 0.398 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 124.6 | -175.5 | -166.8 | -86.5 | 0 | 0 | 0 | 111.1 | F133 W310 P359 | F133-F314 HydrophobicContact CE1-CE1 4.4Å; F133-F314 AromaticContact CZ-CD1 3.91Å; F133-F314 HydrophobicContact CZ-CD1 3.91Å; F133-F314 AromaticContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CE1 3.75Å; F133-F314 HydrophobicContact CZ-CZ 4.47Å; W310-F314 AromaticContact CH2-CD2 3.6Å; W310-F314 HydrophobicContact CH2-CD2 3.6Å; W310-F314 AromaticContact CH2-CE2 3.59Å; W310-F314 HydrophobicContact CH2-CE2 3.59Å; W310-F314 AromaticContact CZ2-CD2 3.55Å; W310-F314 HydrophobicContact CZ2-CD2 3.55Å; W310-F314 AromaticContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ2-CE2 3.56Å; W310-F314 HydrophobicContact CZ3-CD2 4.19Å; W310-F314 PolarHBondContact O-N 3.36Å; F314-P359 HydrophobicContact CB-CG 3.81Å; F314-P359 HydrophobicContact CD1-CG 3.93Å; F314-P359 HydrophobicContact CG-CG 4.22Å |
| 315 | P | 69.6 | Low | 75.8 | Confident | 85 Ų | 85 | 71.4 Ų | 71.4 | 55% | 0.552 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 149.4 | -172.2 | 26.8 | -34.1 | 0 | 0 | 0 | 112.7 | T317 | P315-T317 PolarHBondContact O-N 3.47Å; P315-T317 PolarHBondContact O-OG1 3.35Å |
| 316 | P | 71.6 | Confident | 75.4 | Confident | 85 Ų | 85 | 73.7 Ų | 73.7 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 124.3 | 169.3 | 14.5 | -27.7 | 0 | 0 | 0 | 110.7 | N358 | P316-N358 WeakPolarHBondContact CA-OD1 3.27Å; P316-N358 WeakPolarHBondContact CB-OD1 3.16Å |
| 317 | T | 73.8 | Confident | 74.8 | Confident | 50 Ų | 50 | 71.8 Ų | 71.8 | 31% | 0.307 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 133.7 | 176.9 | -51.6 | 0 | 0 | 0 | 0 | 109.5 | P315 T356 F357 | P315-T317 PolarHBondContact O-N 3.47Å; P315-T317 PolarHBondContact O-OG1 3.35Å; T317-T356 WeakPolarHBondContact O-CA 3.34Å; T317-F357 VanDerWaalsContact CB-CZ 3.5Å; T317-F357 HydrophobicContact CG2-CE1 4.08Å; T317-F357 HydrophobicContact CG2-CE2 4.14Å; T317-F357 HydrophobicContact CG2-CZ 3.57Å; T317-F357 PolarHBondContact N-O 3.21Å; T317-F357 VanDerWaalsContact N-O 3.09Å; T317-F357 WeakPolarHBondContact O-CD1 3.32Å; T317-F357 PolarHBondContact O-N 3.21Å |
| 318 | T | 75.4 | Confident | 74.5 | Confident | 99 Ų | 99 | 74.4 Ų | 74.4 | 61% | 0.607 | 42% | 0.417 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 124.6 | 177.7 | 52.9 | 0 | 0 | 0 | 0 | 110.5 | W355 T356 | T318-W355 CarbonylContact C-O 3.59Å; T318-W355 WeakPolarHBondContact CA-O 3.13Å; T318-T356 HydrophobicContact CG2-CG2 3.65Å |
| 319 | A | 75.8 | Confident | 74.4 | Confident | 21 Ų | 21 | 77.5 Ų | 77.5 | 17% | 0.174 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 151.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110 | K354 W355 F357 | A319-K354 CarbonylContact O-C 3.45Å; A319-K354 WeakPolarHBondContact O-CA 3.48Å; A319-W355 HydrophobicContact CB-CD2 3.92Å; A319-W355 VanDerWaalsContact CB-CE2 3.48Å; A319-W355 HydrophobicContact CB-CE3 4.14Å; A319-W355 HydrophobicContact CB-CH2 3.56Å; A319-W355 HydrophobicContact CB-CZ2 3.3Å; A319-W355 HydrophobicContact CB-CZ3 3.97Å; A319-W355 PolarHBondContact N-O 3.11Å; A319-W355 PolarHBondContact O-N 3.13Å; A319-F357 HydrophobicContact CB-CD1 4.14Å; A319-F357 HydrophobicContact CB-CE1 3.84Å |
| 320 | A | 77.1 | Confident | 74.2 | Confident | 58 Ų | 58 | 79.3 Ų | 79.3 | 48% | 0.479 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 138.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y353 K354 | A320-Y353 CarbonylContact C-O 3.58Å; A320-Y353 VanDerWaalsContact CA-O 3.22Å; A320-Y353 WeakPolarHBondContact CA-O 3.26Å; A320-K354 HydrophobicContact CB-CG 3.87Å |
| 321 | I | 79.3 | Confident | 74 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 22% | 0.215 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 120.3 | 166.6 | -70 | 158.2 | 0 | 0 | 0 | 107 | F144 V323 Y353 W355 | F144-I321 HydrophobicContact CD1-CD1 4.26Å; F144-I321 HydrophobicContact CD2-CD1 4.04Å; F144-I321 HydrophobicContact CE1-CD1 3.76Å; F144-I321 HydrophobicContact CE2-CD1 3.52Å; F144-I321 HydrophobicContact CG-CD1 4.4Å; F144-I321 HydrophobicContact CZ-CD1 3.37Å; I321-V323 HydrophobicContact CG2-CG2 3.99Å; I321-Y353 PolarHBondContact N-O 2.85Å; I321-Y353 WeakPolarHBondContact O-CD2 3.33Å; I321-Y353 PolarHBondContact O-N 3.46Å; I321-W355 HydrophobicContact CB-CZ3 4.34Å; I321-W355 HydrophobicContact CD1-CH2 3.68Å; I321-W355 HydrophobicContact CD1-CZ3 3.64Å; I321-W355 HydrophobicContact CG1-CH2 3.79Å; I321-W355 HydrophobicContact CG1-CZ3 3.66Å |
| 322 | T | 81.1 | Confident | 73.9 | Confident | 77 Ų | 77 | 77.1 Ų | 77.1 | 47% | 0.472 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 117.8 | 172.7 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | H350 D352 | T322-H350 VanDerWaalsContact CG2-CE1 3.45Å; T322-H350 WeakPolarHBondContact CG2-CE1 3.43Å; T322-D352 VanDerWaalsContact CB-OD1 3.27Å; T322-D352 WeakPolarHBondContact CB-OD1 3.44Å; T322-D352 WeakPolarHBondContact CG2-OD1 3.26Å; T322-D352 PolarHBondContact OG1-OD1 3.44Å |
| 323 | V | 80.6 | Confident | 74.2 | Confident | 31 Ų | 31 | 75.3 Ų | 75.3 | 19% | 0.188 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 112.1 | 172.2 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | A147 I321 F349 H350 K351 Y353 | A147-V323 HydrophobicContact CB-CG2 4.3Å; I321-V323 HydrophobicContact CG2-CG2 3.99Å; V323-F349 HydrophobicContact CB-CE1 4.16Å; V323-F349 HydrophobicContact CG1-CD1 4.22Å; V323-F349 HydrophobicContact CG1-CE1 4Å; V323-H350 WeakPolarHBondContact O-CA 3.34Å; V323-K351 PolarHBondContact N-O 2.85Å; V323-K351 PolarHBondContact O-N 3.45Å; V323-Y353 HydrophobicContact CB-CE2 4.1Å; V323-Y353 HydrophobicContact CG2-CD2 4.12Å; V323-Y353 HydrophobicContact CG2-CE2 3.79Å |
| 324 | S | 80 | Confident | 73.9 | Confident | 86 Ų | 86 | 74 Ų | 74 | 60% | 0.601 | 42% | 0.424 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 121.3 | 173.4 | 63.3 | 0 | 0 | 0 | 0 | 110.1 | F349 | S324-F349 CarbonylContact C-O 3.53Å; S324-F349 VanDerWaalsContact CA-O 3.26Å; S324-F349 WeakPolarHBondContact CA-O 3.3Å |
| 325 | Y | 74.7 | Confident | 73.9 | Confident | 39 Ų | 39 | 72.8 Ų | 72.8 | 15% | 0.153 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 138.9 | 172.8 | 82.5 | -99.7 | 0 | 0 | 0 | 110.4 | L151 E154 V327 I347 F349 | L151-Y325 HydrophobicContact CD1-CD1 3.35Å; L151-Y325 HydrophobicContact CD1-CE1 3.41Å; L151-Y325 VanDerWaalsContact CD1-CE1 3.41Å; L151-Y325 HydrophobicContact CD1-CG 4.22Å; E154-Y325 HydrophobicContact CB-CE1 4.48Å; E154-Y325 VanDerWaalsContact CB-OH 3.24Å; E154-Y325 WeakPolarHBondContact CB-OH 3.39Å; E154-Y325 HydrophobicContact CG-CE1 4.5Å; E154-Y325 WeakPolarHBondContact CG-OH 3.25Å; Y325-V327 HydrophobicContact CD2-CG2 3.89Å; Y325-V327 HydrophobicContact CE2-CG2 3.95Å; Y325-I347 HydrophobicContact CD2-CG2 4.28Å; Y325-I347 HydrophobicContact CE2-CB 3.76Å; Y325-I347 HydrophobicContact CE2-CD1 3.78Å; Y325-I347 HydrophobicContact CE2-CG1 4.32Å; Y325-I347 HydrophobicContact CE2-CG2 3.35Å; Y325-I347 WeakPolarHBondContact OH-CG2 3.37Å; Y325-F349 HydrophobicContact CD1-CB 3.41Å; Y325-F349 VanDerWaalsContact CD1-CB 3.41Å; Y325-F349 AromaticContact CD1-CD1 3.51Å; Y325-F349 HydrophobicContact CD1-CD1 3.51Å; Y325-F349 AromaticContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD2-CB 4.44Å; Y325-F349 HydrophobicContact CE1-CB 3.1Å; Y325-F349 AromaticContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD1 3.49Å; Y325-F349 VanDerWaalsContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD2 4.18Å; Y325-F349 HydrophobicContact CE1-CE1 4.41Å; Y325-F349 AromaticContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE2-CB 4.21Å; Y325-F349 HydrophobicContact CG-CB 4.08Å; Y325-F349 PolarHBondContact N-O 3.36Å; Y325-F349 PolarHBondContact O-N 2.63Å |
| 326 | K | 75.3 | Confident | 74 | Confident | 136 Ų | 136 | 75.5 Ų | 75.5 | 59% | 0.591 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.4 | 177.6 | -65.8 | -172.3 | 178.4 | -167.5 | 0 | 109.2 | I347 N348 | K326-I347 CarbonylContact C-O 3.56Å; K326-I347 VanDerWaalsContact CA-O 3.25Å; K326-I347 WeakPolarHBondContact CA-O 3.19Å; K326-N348 VanDerWaalsContact CE-OD1 3.26Å; K326-N348 WeakPolarHBondContact CE-OD1 3.34Å |
| 327 | V | 72 | Confident | 74 | Confident | 60 Ų | 60 | 76.2 Ų | 76.2 | 36% | 0.364 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 120.7 | 175.3 | -179.3 | 0 | 0 | 0 | 0 | 107.7 | Y325 L346 I347 | Y325-V327 HydrophobicContact CD2-CG2 3.89Å; Y325-V327 HydrophobicContact CE2-CG2 3.95Å; V327-L346 HydrophobicContact CG1-CB 4.42Å; V327-L346 WeakPolarHBondContact O-CA 3.36Å; V327-L346 WeakPolarHBondContact O-CB 3.34Å; V327-L346 PolarHBondContact O-N 2.94Å; V327-I347 HydrophobicContact CB-CB 4.05Å; V327-I347 HydrophobicContact CB-CD1 4.23Å; V327-I347 HydrophobicContact CB-CG1 4Å; V327-I347 HydrophobicContact CG2-CB 4.29Å; V327-I347 HydrophobicContact CG2-CD1 4.07Å; V327-I347 HydrophobicContact CG2-CG1 4.3Å; V327-I347 PolarHBondContact N-O 3.39Å; V327-I347 PolarHBondContact O-N 3.21Å |
| 328 | N | 74.3 | Confident | 73.6 | Confident | 95 Ų | 95 | 79.4 Ų | 79.4 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 129.3 | 174.9 | -65 | -12.1 | 0 | 0 | 0 | 108.3 | ||
| 329 | W | 70.5 | Confident | 73.3 | Confident | 129 Ų | 129 | 83.5 Ų | 83.5 | 49% | 0.489 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 129.4 | 173.5 | 177.4 | -109.1 | 0 | 0 | 0 | 109.8 | Q344 L346 | W329-Q344 PolarHBondContact N-O 3.18Å; W329-Q344 PolarHBondContact O-N 3.45Å; W329-L346 HydrophobicContact CB-CB 4.15Å; W329-L346 HydrophobicContact CB-CD1 3.86Å; W329-L346 HydrophobicContact CB-CD2 4.26Å; W329-L346 HydrophobicContact CB-CG 4.32Å; W329-L346 HydrophobicContact CG-CD1 4.4Å |
| 330 | F | 72.6 | Confident | 72.7 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 45% | 0.447 | 47% | 0.474 | S | S | . | . | trans | -121.6 | 102.3 | 176.4 | 178.7 | -100 | 0 | 0 | 0 | 109 | P332 C335 T343 | F330-P332 HydrophobicContact CD1-CG 4.17Å; F330-P332 HydrophobicContact CE1-CB 4.14Å; F330-P332 HydrophobicContact CE1-CG 4.25Å; F330-P332 WeakPolarHBondContact O-CD 3.18Å; F330-C335 WeakPolarHBondContact CE2-SG 3.39Å; F330-C335 HydrophobicContact CZ-CB 4.16Å; F330-C335 WeakPolarHBondContact CZ-SG 3.48Å; F330-T343 HydrophobicContact CD2-CG2 3.83Å | ||
| 331 | P | 70.9 | Confident | 72.4 | Confident | 23 Ų | 23 | 85.2 Ų | 85.2 | 15% | 0.149 | 47% | 0.469 | C | S | . | . | trans | -81.4 | 105.1 | 175.7 | 27.1 | -27.5 | 0 | 0 | 0 | 110.5 | A333 L334 | P331-A333 PolarHBondContact O-N 2.05Å; P331-L334 HydrophobicContact CB-CB 4.46Å; P331-L334 HydrophobicContact CB-CD1 3.98Å; P331-L334 HydrophobicContact CB-CG 4.37Å; P331-L334 HydrophobicContact CG-CB 4.21Å; P331-L334 HydrophobicContact CG-CD1 3.63Å; P331-L334 HydrophobicContact CG-CG 4.32Å; P331-L334 PolarHBondContact O-N 3.26Å; P331-L334 VanDerWaalsContact O-N 3.15Å | ||
| 332 | P | 69.3 | Low | 72 | Confident | 95 Ų | 95 | 87.9 Ų | 87.9 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -64.7 | -29.4 | -172.3 | -17.5 | 31.9 | 0 | 0 | 0 | 112.6 | F330 L334 C335 | F330-P332 HydrophobicContact CD1-CG 4.17Å; F330-P332 HydrophobicContact CE1-CB 4.14Å; F330-P332 HydrophobicContact CE1-CG 4.25Å; F330-P332 WeakPolarHBondContact O-CD 3.18Å; P332-L334 VanDerWaalsContact C-N 3.3Å; P332-L334 PolarHBondContact O-N 3.25Å; P332-C335 PolarHBondContact O-N 3.34Å |
| 333 | A | 72 | Confident | 71.4 | Confident | 75 Ų | 75 | 88.5 Ų | 88.5 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -65.9 | -28.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | P331 C335 I336 | P331-A333 PolarHBondContact O-N 2.05Å; A333-C335 VanDerWaalsContact C-N 3.3Å; A333-I336 WeakPolarHBondContact O-CD1 3.31Å; A333-I336 WeakPolarHBondContact O-CG1 3.45Å |
| 334 | L | 65.8 | Low | 70.8 | Confident | 104 Ų | 104 | 93.1 Ų | 93.1 | 55% | 0.545 | 51% | 0.511 | S | S | . | . | G | 310 helix | trans | -80.2 | -13.5 | 178.4 | -72.5 | 170.7 | 0 | 0 | 0 | 112.7 | P331 P332 I336 | P331-L334 HydrophobicContact CB-CB 4.46Å; P331-L334 HydrophobicContact CB-CD1 3.98Å; P331-L334 HydrophobicContact CB-CG 4.37Å; P331-L334 HydrophobicContact CG-CB 4.21Å; P331-L334 HydrophobicContact CG-CD1 3.63Å; P331-L334 HydrophobicContact CG-CG 4.32Å; P331-L334 PolarHBondContact O-N 3.26Å; P331-L334 VanDerWaalsContact O-N 3.15Å; P332-L334 VanDerWaalsContact C-N 3.3Å; P332-L334 PolarHBondContact O-N 3.25Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.49Å |
| 335 | C | 69.4 | Low | 70.4 | Confident | 36 Ų | 36 | 94.8 Ų | 94.8 | 24% | 0.243 | 51% | 0.509 | C | S | . | . | G | 310 helix | trans | -87.7 | 6.5 | 177.9 | -64.3 | 0 | 0 | 0 | 0 | 114.2 | F330 P332 A333 I337 C341 | F330-C335 WeakPolarHBondContact CE2-SG 3.39Å; F330-C335 HydrophobicContact CZ-CB 4.16Å; F330-C335 WeakPolarHBondContact CZ-SG 3.48Å; P332-C335 PolarHBondContact O-N 3.34Å; A333-C335 VanDerWaalsContact C-N 3.3Å; C335-I337 PolarHBondContact O-N 3.18Å; C335-C341 HydrophobicContact CB-CB 3.78Å; C335-C341 WeakPolarHBondContact CB-SG 3.4Å; C335-C341 VanDerWaalsContact SG-CA 3.55Å; C335-C341 WeakPolarHBondContact SG-CB 3.17Å; C335-C341 CovalentContact SG-SG 2.05Å; C335-C341 PolarHBondContact SG-SG 3.49Å |
| 336 | I | 72.9 | Confident | 70 | Confident | 143 Ų | 143 | 96.3 Ų | 96.3 | 73% | 0.733 | 52% | 0.52 | S | S | * | . | G | 310 helix | trans | -66.2 | -26.9 | 169.4 | -58.9 | 171.5 | 0 | 0 | 0 | 110.4 | A333 L334 | A333-I336 WeakPolarHBondContact O-CD1 3.31Å; A333-I336 WeakPolarHBondContact O-CG1 3.45Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.49Å |
| 337 | I | 72.1 | Confident | 69.7 | Low | 100 Ų | 100 | 90.6 Ų | 90.6 | 51% | 0.513 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -109.6 | 115.9 | 171.3 | -57.8 | 173.2 | 0 | 0 | 0 | 108.1 | C335 Q339 S340 | C335-I337 PolarHBondContact O-N 3.18Å; I337-Q339 PolarHBondContact O-N 2.95Å; I337-Q339 VanDerWaalsContact O-N 3.1Å; I337-S340 PolarHBondContact O-N 3.24Å |
| 338 | P | 65 | Low | 69.9 | Low | 116 Ų | 116 | 92.3 Ų | 92.3 | 75% | 0.753 | 50% | 0.502 | S | S | * | . | G | 310 helix | trans | -57.9 | -31.8 | -172.7 | -24.2 | 31.2 | 0 | 0 | 0 | 114.3 | S340 | P338-S340 VanDerWaalsContact C-N 3.3Å; P338-S340 PolarHBondContact O-N 3.42Å |
| 339 | Q | 69 | Low | 70.1 | Confident | 186 Ų | 186 | 88.9 Ų | 88.9 | 87% | 0.869 | 48% | 0.483 | S | S | * | . | G | 310 helix | trans | -75.3 | -15.8 | -179.3 | -66.1 | -177.8 | -40.9 | 0 | 0 | 113.9 | I337 | I337-Q339 PolarHBondContact O-N 2.95Å; I337-Q339 VanDerWaalsContact O-N 3.1Å |
| 340 | S | 63.4 | Low | 70.8 | Confident | 59 Ų | 59 | 88.5 Ų | 88.5 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -107.1 | 2.7 | -178.4 | -56.8 | 0 | 0 | 0 | 0 | 113.1 | I337 P338 V342 | I337-S340 PolarHBondContact O-N 3.24Å; P338-S340 VanDerWaalsContact C-N 3.3Å; P338-S340 PolarHBondContact O-N 3.42Å; S340-V342 PolarHBondContact O-N 2.85Å; S340-V342 VanDerWaalsContact O-N 3.08Å |
| 341 | C | 70 | Confident | 71.3 | Confident | 55 Ų | 55 | 87.3 Ų | 87.3 | 37% | 0.372 | 48% | 0.481 | S | S | . | . | trans | -77.8 | 93.8 | 177.9 | -166.8 | 0 | 0 | 0 | 0 | 109.4 | C335 | C335-C341 HydrophobicContact CB-CB 3.78Å; C335-C341 WeakPolarHBondContact CB-SG 3.4Å; C335-C341 VanDerWaalsContact SG-CA 3.55Å; C335-C341 WeakPolarHBondContact SG-CB 3.17Å; C335-C341 CovalentContact SG-SG 2.05Å; C335-C341 PolarHBondContact SG-SG 3.49Å | ||
| 342 | V | 70.4 | Confident | 71.9 | Confident | 99 Ų | 99 | 89.6 Ų | 89.6 | 60% | 0.6 | 49% | 0.492 | S | S | * | . | trans | -120 | 122.8 | 179.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | S340 | S340-V342 PolarHBondContact O-N 2.85Å; S340-V342 VanDerWaalsContact O-N 3.08Å | ||
| 343 | T | 69.8 | Low | 72.5 | Confident | 90 Ų | 90 | 85.4 Ų | 85.4 | 55% | 0.552 | 46% | 0.464 | S | S | * | . | trans | -75.2 | 119.9 | 165.7 | 47.3 | 0 | 0 | 0 | 0 | 108.4 | F330 | F330-T343 HydrophobicContact CD2-CG2 3.83Š| ||
| 344 | Q | 68.4 | Low | 72.9 | Confident | 127 Ų | 127 | 88.9 Ų | 88.9 | 59% | 0.593 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 126.3 | 177.4 | -170.2 | 168.9 | -13.3 | 0 | 0 | 109.2 | W329 L346 | W329-Q344 PolarHBondContact N-O 3.18Å; W329-Q344 PolarHBondContact O-N 3.45Å; Q344-L346 PolarHBondContact O-N 3.17Å |
| 345 | E | 70.9 | Confident | 73.5 | Confident | 121 Ų | 121 | 85.8 Ų | 85.8 | 57% | 0.565 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 115 | 169.8 | -62.4 | -166.1 | 162.7 | 0 | 0 | 108 | ||
| 346 | L | 66.7 | Low | 73.7 | Confident | 72 Ų | 72 | 88 Ų | 88 | 38% | 0.377 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -35.7 | -177.6 | -149.1 | 75.4 | 0 | 0 | 0 | 110.5 | V158 V327 W329 Q344 | V158-L346 HydrophobicContact CG1-CB 4.47Å; V158-L346 HydrophobicContact CG1-CD2 3.39Å; V158-L346 HydrophobicContact CG1-CG 3.55Å; V327-L346 HydrophobicContact CG1-CB 4.42Å; V327-L346 WeakPolarHBondContact O-CA 3.36Å; V327-L346 WeakPolarHBondContact O-CB 3.34Å; V327-L346 PolarHBondContact O-N 2.94Å; W329-L346 HydrophobicContact CB-CB 4.15Å; W329-L346 HydrophobicContact CB-CD1 3.86Å; W329-L346 HydrophobicContact CB-CD2 4.26Å; W329-L346 HydrophobicContact CB-CG 4.32Å; W329-L346 HydrophobicContact CG-CD1 4.4Å; Q344-L346 PolarHBondContact O-N 3.17Å |
| 347 | I | 69.3 | Low | 73.7 | Confident | 15 Ų | 15 | 82.9 Ų | 82.9 | 8% | 0.077 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 137 | 177.7 | -43 | -178.3 | 0 | 0 | 0 | 110.9 | E154 V158 Y325 K326 V327 F349 | E154-I347 HydrophobicContact CG-CG2 4.29Å; V158-I347 HydrophobicContact CB-CD1 3.67Å; V158-I347 HydrophobicContact CB-CG1 4.06Å; V158-I347 HydrophobicContact CG1-CD1 3.77Å; V158-I347 HydrophobicContact CG1-CG1 3.79Å; V158-I347 HydrophobicContact CG2-CD1 3.72Å; V158-I347 HydrophobicContact CG2-CG1 3.82Å; Y325-I347 HydrophobicContact CD2-CG2 4.28Å; Y325-I347 HydrophobicContact CE2-CB 3.76Å; Y325-I347 HydrophobicContact CE2-CD1 3.78Å; Y325-I347 HydrophobicContact CE2-CG1 4.32Å; Y325-I347 HydrophobicContact CE2-CG2 3.35Å; Y325-I347 WeakPolarHBondContact OH-CG2 3.37Å; K326-I347 CarbonylContact C-O 3.56Å; K326-I347 VanDerWaalsContact CA-O 3.25Å; K326-I347 WeakPolarHBondContact CA-O 3.19Å; V327-I347 HydrophobicContact CB-CB 4.05Å; V327-I347 HydrophobicContact CB-CD1 4.23Å; V327-I347 HydrophobicContact CB-CG1 4Å; V327-I347 HydrophobicContact CG2-CB 4.29Å; V327-I347 HydrophobicContact CG2-CD1 4.07Å; V327-I347 HydrophobicContact CG2-CG1 4.3Å; V327-I347 PolarHBondContact N-O 3.39Å; V327-I347 PolarHBondContact O-N 3.21Å; I347-F349 HydrophobicContact CG2-CB 4.19Å |
| 348 | N | 75.4 | Confident | 73.5 | Confident | 96 Ų | 96 | 81.6 Ų | 81.6 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 83.6 | 165.8 | -179 | 11.7 | 0 | 0 | 0 | 108.4 | K326 | K326-N348 VanDerWaalsContact CE-OD1 3.26Å; K326-N348 WeakPolarHBondContact CE-OD1 3.34Å |
| 349 | F | 78.7 | Confident | 73.4 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 10% | 0.101 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 129.3 | 179.2 | -179.5 | -95.9 | 0 | 0 | 0 | 109.6 | D150 E154 V323 S324 Y325 I347 K351 Y353 | D150-F349 HydrophobicContact CB-CZ 4.11Å; E154-F349 HydrophobicContact CB-CD2 4.11Å; E154-F349 HydrophobicContact CB-CE2 4.37Å; E154-F349 HydrophobicContact CG-CB 4.43Å; E154-F349 HydrophobicContact CG-CD2 3.76Å; E154-F349 HydrophobicContact CG-CE2 4.44Å; E154-F349 HydrophobicContact CG-CG 4.41Å; V323-F349 HydrophobicContact CB-CE1 4.16Å; V323-F349 HydrophobicContact CG1-CD1 4.22Å; V323-F349 HydrophobicContact CG1-CE1 4Å; S324-F349 CarbonylContact C-O 3.53Å; S324-F349 VanDerWaalsContact CA-O 3.26Å; S324-F349 WeakPolarHBondContact CA-O 3.3Å; Y325-F349 HydrophobicContact CD1-CB 3.41Å; Y325-F349 VanDerWaalsContact CD1-CB 3.41Å; Y325-F349 AromaticContact CD1-CD1 3.51Å; Y325-F349 HydrophobicContact CD1-CD1 3.51Å; Y325-F349 AromaticContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD1-CG 3.74Å; Y325-F349 HydrophobicContact CD2-CB 4.44Å; Y325-F349 HydrophobicContact CE1-CB 3.1Å; Y325-F349 AromaticContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD1 3.49Å; Y325-F349 VanDerWaalsContact CE1-CD1 3.49Å; Y325-F349 HydrophobicContact CE1-CD2 4.18Å; Y325-F349 HydrophobicContact CE1-CE1 4.41Å; Y325-F349 AromaticContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE1-CG 3.33Å; Y325-F349 HydrophobicContact CE2-CB 4.21Å; Y325-F349 HydrophobicContact CG-CB 4.08Å; Y325-F349 PolarHBondContact N-O 3.36Å; Y325-F349 PolarHBondContact O-N 2.63Å; I347-F349 HydrophobicContact CG2-CB 4.19Å; F349-K351 HydrophobicContact CE1-CB 3.86Å; F349-K351 HydrophobicContact CE2-CB 4.28Å; F349-K351 HydrophobicContact CZ-CB 3.61Å; F349-K351 HydrophobicContact CZ-CD 4.21Å; F349-Y353 WeakPolarHBondContact CZ-OH 3.43Å |
| 350 | H | 83.9 | Confident | 73.1 | Confident | 121 Ų | 121 | 73.6 Ų | 73.6 | 56% | 0.56 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145 | 113.2 | 175.6 | -179.3 | 75.5 | 0 | 0 | 0 | 108.2 | T322 V323 | T322-H350 VanDerWaalsContact CG2-CE1 3.45Å; T322-H350 WeakPolarHBondContact CG2-CE1 3.43Å; V323-H350 WeakPolarHBondContact O-CA 3.34Å |
| 351 | K | 84.1 | Confident | 72.8 | Confident | 77 Ų | 77 | 72.4 Ų | 72.4 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 138.3 | 177.9 | -167.7 | 168.7 | 174.7 | -170.6 | 0 | 110.9 | D150 V323 F349 Y353 | D150-K351 WeakPolarHBondContact OD2-CE 3.23Å; D150-K351 IonicContact OD2-NZ 3.61Å; D150-K351 PolarHBondContact OD2-NZ 2.86Å; V323-K351 PolarHBondContact N-O 2.85Å; V323-K351 PolarHBondContact O-N 3.45Å; F349-K351 HydrophobicContact CE1-CB 3.86Å; F349-K351 HydrophobicContact CE2-CB 4.28Å; F349-K351 HydrophobicContact CZ-CB 3.61Å; F349-K351 HydrophobicContact CZ-CD 4.21Å; K351-Y353 HydrophobicContact CB-CE2 4.1Å; K351-Y353 HydrophobicContact CD-CE1 4.03Å; K351-Y353 HydrophobicContact CG-CE1 4.34Å; K351-Y353 HydrophobicContact CG-CE2 4.2Å |
| 352 | D | 83.6 | Confident | 72 | Confident | 71 Ų | 71 | 74 Ų | 74 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 121.8 | 176.1 | -69.6 | -22.7 | 0 | 0 | 0 | 110.1 | T322 | T322-D352 VanDerWaalsContact CB-OD1 3.27Å; T322-D352 WeakPolarHBondContact CB-OD1 3.44Å; T322-D352 WeakPolarHBondContact CG2-OD1 3.26Å; T322-D352 PolarHBondContact OG1-OD1 3.44Å |
| 353 | Y | 82 | Confident | 71.2 | Confident | 7 Ų | 7 | 75.8 Ų | 75.8 | 3% | 0.027 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 110.5 | 174.3 | -57.2 | -89 | 0 | 0 | 0 | 108.8 | E146 A147 D150 A320 I321 V323 F349 K351 | E146-Y353 HydrophobicContact CB-CD1 4.42Å; E146-Y353 HydrophobicContact CB-CE1 4.45Å; E146-Y353 HydrophobicContact CG-CD1 4.32Å; E146-Y353 HydrophobicContact CG-CE1 4.1Å; A147-Y353 HydrophobicContact CB-CD1 4.05Å; A147-Y353 HydrophobicContact CB-CD2 3.6Å; A147-Y353 HydrophobicContact CB-CE1 3.97Å; A147-Y353 HydrophobicContact CB-CE2 3.53Å; A147-Y353 HydrophobicContact CB-CG 3.87Å; D150-Y353 WeakPolarHBondContact CB-OH 3.22Å; D150-Y353 WeakPolarHBondContact OD2-CE1 3.4Å; D150-Y353 PolarHBondContact OD2-OH 2.85Å; A320-Y353 CarbonylContact C-O 3.58Å; A320-Y353 VanDerWaalsContact CA-O 3.22Å; A320-Y353 WeakPolarHBondContact CA-O 3.26Å; I321-Y353 PolarHBondContact N-O 2.85Å; I321-Y353 WeakPolarHBondContact O-CD2 3.33Å; I321-Y353 PolarHBondContact O-N 3.46Å; V323-Y353 HydrophobicContact CB-CE2 4.1Å; V323-Y353 HydrophobicContact CG2-CD2 4.12Å; V323-Y353 HydrophobicContact CG2-CE2 3.79Å; F349-Y353 WeakPolarHBondContact CZ-OH 3.43Å; K351-Y353 HydrophobicContact CB-CE2 4.1Å; K351-Y353 HydrophobicContact CD-CE1 4.03Å; K351-Y353 HydrophobicContact CG-CE1 4.34Å; K351-Y353 HydrophobicContact CG-CE2 4.2Å |
| 354 | K | 80.8 | Confident | 71 | Confident | 149 Ų | 149 | 73.4 Ų | 73.4 | 65% | 0.648 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 137.8 | -177 | -60.3 | -176.5 | -178.7 | 175.2 | 0 | 110.3 | A319 A320 | A319-K354 CarbonylContact O-C 3.45Å; A319-K354 WeakPolarHBondContact O-CA 3.48Å; A320-K354 HydrophobicContact CB-CG 3.87Å |
| 355 | W | 77.8 | Confident | 71 | Confident | 39 Ų | 39 | 74 Ų | 74 | 15% | 0.148 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 148.8 | 170.4 | 72.7 | 102.8 | 0 | 0 | 0 | 110.7 | L137 P143 T318 A319 I321 | L137-W355 HydrophobicContact CD1-CZ2 4.16Å; P143-W355 HydrophobicContact CB-CE3 4.38Å; P143-W355 HydrophobicContact CG-CB 4.14Å; P143-W355 HydrophobicContact CG-CD2 4.23Å; P143-W355 HydrophobicContact CG-CE3 4.27Å; P143-W355 HydrophobicContact CG-CG 4.2Å; T318-W355 CarbonylContact C-O 3.59Å; T318-W355 WeakPolarHBondContact CA-O 3.13Å; A319-W355 HydrophobicContact CB-CD2 3.92Å; A319-W355 VanDerWaalsContact CB-CE2 3.48Å; A319-W355 HydrophobicContact CB-CE3 4.14Å; A319-W355 HydrophobicContact CB-CH2 3.56Å; A319-W355 HydrophobicContact CB-CZ2 3.3Å; A319-W355 HydrophobicContact CB-CZ3 3.97Å; A319-W355 PolarHBondContact N-O 3.11Å; A319-W355 PolarHBondContact O-N 3.13Å; I321-W355 HydrophobicContact CB-CZ3 4.34Å; I321-W355 HydrophobicContact CD1-CH2 3.68Å; I321-W355 HydrophobicContact CD1-CZ3 3.64Å; I321-W355 HydrophobicContact CG1-CH2 3.79Å; I321-W355 HydrophobicContact CG1-CZ3 3.66Å |
| 356 | T | 73.6 | Confident | 71 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 134.5 | 175.2 | 49.3 | 0 | 0 | 0 | 0 | 109.9 | T317 T318 | T317-T356 WeakPolarHBondContact O-CA 3.34Å; T318-T356 HydrophobicContact CG2-CG2 3.65Å |
| 357 | F | 72.6 | Confident | 71.2 | Confident | 34 Ų | 34 | 70 Ų | 70 | 15% | 0.149 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 140.4 | 169.7 | 61.4 | -97.6 | 0 | 0 | 0 | 110.4 | F133 T136 L137 T317 A319 | F133-F357 AromaticContact CD1-CD2 3.33Å; F133-F357 HydrophobicContact CD1-CD2 3.33Å; F133-F357 AromaticContact CD1-CE2 3.55Å; F133-F357 HydrophobicContact CD1-CE2 3.55Å; F133-F357 AromaticContact CE1-CD2 3.53Å; F133-F357 HydrophobicContact CE1-CD2 3.53Å; F133-F357 AromaticContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CE1-CE2 3.53Å; F133-F357 HydrophobicContact CG-CD2 4.48Å; F133-F357 HydrophobicContact CZ-CE2 4.49Å; T136-F357 HydrophobicContact CG2-CB 3.86Å; L137-F357 HydrophobicContact CD1-CD1 4.19Å; L137-F357 HydrophobicContact CD1-CE1 4.38Å; T317-F357 VanDerWaalsContact CB-CZ 3.5Å; T317-F357 HydrophobicContact CG2-CE1 4.08Å; T317-F357 HydrophobicContact CG2-CE2 4.14Å; T317-F357 HydrophobicContact CG2-CZ 3.57Å; T317-F357 PolarHBondContact N-O 3.21Å; T317-F357 VanDerWaalsContact N-O 3.09Å; T317-F357 WeakPolarHBondContact O-CD1 3.32Å; T317-F357 PolarHBondContact O-N 3.21Å; A319-F357 HydrophobicContact CB-CD1 4.14Å; A319-F357 HydrophobicContact CB-CE1 3.84Å |
| 358 | N | 67.9 | Low | 71.7 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 40% | 0.396 | 39% | 0.39 | S | S | . | . | trans | -119.2 | 140.8 | -176.9 | -63.9 | -17.9 | 0 | 0 | 0 | 109.1 | T136 P316 E360 | T136-N358 PolarHBondContact OG1-O 3.42Å; P316-N358 WeakPolarHBondContact CA-OD1 3.27Å; P316-N358 WeakPolarHBondContact CB-OD1 3.16Å; N358-E360 PolarHBondContact O-N 2.97Å; N358-E360 VanDerWaalsContact O-N 3.1Å | ||
| 359 | P | 64.1 | Low | 72.1 | Confident | 11 Ų | 11 | 70 Ų | 70 | 7% | 0.071 | 38% | 0.379 | C | S | . | . | trans | -67 | 110.5 | 162.7 | 25.7 | -23.3 | 0 | 0 | 0 | 106.6 | T129 F133 F314 P361 | T129-P359 HydrophobicContact CG2-CB 4.18Å; F133-P359 HydrophobicContact CD1-CB 4.5Å; F133-P359 HydrophobicContact CE1-CB 4.05Å; F133-P359 HydrophobicContact CE1-CG 4.1Å; F133-P359 HydrophobicContact CE2-CB 4.25Å; F133-P359 HydrophobicContact CZ-CB 3.9Å; F133-P359 HydrophobicContact CZ-CG 3.95Å; F314-P359 HydrophobicContact CB-CG 3.81Å; F314-P359 HydrophobicContact CD1-CG 3.93Å; F314-P359 HydrophobicContact CG-CG 4.22Å; P359-P361 WeakPolarHBondContact O-CD 2.97Å; P359-P361 WeakPolarHBondContact O-CG 3.37Å | ||
| 360 | E | 62.3 | Low | 72.6 | Confident | 123 Ų | 123 | 71.2 Ų | 71.2 | 58% | 0.575 | 39% | 0.393 | S | S | * | . | trans | -86.1 | 96.4 | 175.8 | -168.2 | 164.2 | -157.1 | 0 | 0 | 108.6 | N358 | N358-E360 PolarHBondContact O-N 2.97Å; N358-E360 VanDerWaalsContact O-N 3.1Å | ||
| 361 | P | 56 | Low | 72.8 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 21% | 0.214 | 37% | 0.374 | C | S | . | . | trans | -93.9 | 0.8 | -164.4 | 7.1 | 15.2 | 0 | 0 | 0 | 112.5 | M312 P359 L363 C364 | M312-P361 HydrophobicContact CE-CB 4.42Å; M312-P361 HydrophobicContact CE-CG 4.27Å; M312-P361 HydrophobicContact SD-CB 3.46Å; M312-P361 WeakPolarHBondContact SD-CB 3.19Å; M312-P361 HydrophobicContact SD-CG 3.73Å; P359-P361 WeakPolarHBondContact O-CD 2.97Å; P359-P361 WeakPolarHBondContact O-CG 3.37Å; P361-L363 PolarHBondContact O-N 3.47Å; P361-C364 PolarHBondContact O-N 2.85Å | ||
| 362 | A | 54.2 | Low | 73.1 | Confident | 88 Ų | 88 | 69.4 Ų | 69.4 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | 3.6 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 363 | L | 53.3 | Low | 73.4 | Confident | 137 Ų | 137 | 72.1 Ų | 72.1 | 72% | 0.717 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -118.9 | 7.3 | -173.5 | -124.4 | 78.7 | 0 | 0 | 0 | 115.3 | P361 | P361-L363 PolarHBondContact O-N 3.47Š|
| 364 | C | 66.3 | Low | 73.8 | Confident | 40 Ų | 40 | 74.2 Ų | 74.2 | 27% | 0.27 | 42% | 0.424 | S | S | . | . | trans | -112.3 | 84.4 | -162 | -55.5 | 0 | 0 | 0 | 0 | 111.8 | C128 P361 V366 | C128-C364 HydrophobicContact CB-CB 3.79Å; C128-C364 WeakPolarHBondContact CB-SG 3.5Å; C128-C364 WeakPolarHBondContact SG-CB 3.45Å; C128-C364 CovalentContact SG-SG 1.98Å; C128-C364 PolarHBondContact SG-SG 2.72Å; P361-C364 PolarHBondContact O-N 2.85Å; C364-V366 HydrophobicContact CB-CG2 4.48Å; C364-V366 PolarHBondContact O-N 3.39Å | ||
| 365 | D | 67.2 | Low | 74.2 | Confident | 141 Ų | 141 | 68.1 Ų | 68.1 | 75% | 0.754 | 40% | 0.399 | S | S | * | . | trans | -74.6 | 113.4 | 168.5 | -175 | 19.5 | 0 | 0 | 0 | 109.6 | ||||
| 366 | V | 71.6 | Confident | 74.8 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | trans | -120 | 112.1 | -174.7 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | A121 I125 C364 | A121-V366 HydrophobicContact CB-CG1 3.22Å; I125-V366 HydrophobicContact CD1-CG1 4.23Å; I125-V366 HydrophobicContact CD1-CG2 4.36Å; I125-V366 HydrophobicContact CG1-CG1 4.3Å; I125-V366 HydrophobicContact CG1-CG2 3.67Å; C364-V366 HydrophobicContact CB-CG2 4.48Å; C364-V366 PolarHBondContact O-N 3.39Å | ||
| 367 | T | 70.8 | Confident | 75.7 | Confident | 79 Ų | 79 | 70 Ų | 70 | 49% | 0.485 | 41% | 0.411 | S | S | . | . | trans | -84.1 | 117 | 173.7 | 37.5 | 0 | 0 | 0 | 0 | 110.6 | R124 | R124-T367 PolarHBondContact NH2-OG1 3Š| ||
| 368 | T | 78.9 | Confident | 76.7 | Confident | 71 Ų | 71 | 72 Ų | 72 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | trans | -98.8 | 155.8 | 173.6 | 66.8 | 0 | 0 | 0 | 0 | 110.8 | V304 | V304-T368 HydrophobicContact CB-CG2 4.48Å; V304-T368 HydrophobicContact CG1-CG2 3.48Å; V304-T368 VanDerWaalsContact CG1-CG2 3.48Å | ||
| 369 | S | 85 | Confident | 77.9 | Confident | 38 Ų | 38 | 69 Ų | 69 | 27% | 0.266 | 41% | 0.406 | S | S | . | . | trans | -131.2 | 111.1 | 178.7 | -172 | 0 | 0 | 0 | 0 | 110.2 | N114 N118 | N114-S369 PolarHBondContact ND2-O 2.88Å; N114-S369 WeakPolarHBondContact OD1-CB 3.31Å; N114-S369 PolarHBondContact OD1-O 3.08Å; N114-S369 PolarHBondContact OD1-OG 3.42Å; N118-S369 PolarHBondContact ND2-O 3.06Å; N118-S369 PolarHBondContact OD1-N 3.19Å; N118-S369 PolarHBondContact OD1-O 3.25Å | ||
| 370 | A | 87.8 | Confident | 79.3 | Confident | 50 Ų | 50 | 70.1 Ų | 70.1 | 41% | 0.413 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 140.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y301 K372 | Y301-A370 HydrophobicContact CE2-CB 3.85Å; A370-K372 PolarHBondContact O-N 3.17Å |
| 371 | P | 89.7 | Confident | 80.8 | Confident | 23 Ų | 23 | 67.7 Ų | 67.7 | 15% | 0.149 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -56.2 | 130.2 | 172.6 | -24.8 | 33.9 | 0 | 0 | 0 | 111.4 | Y301 L373 | Y301-P371 HydrophobicContact CG-CG 4.44Å; P371-L373 PolarHBondContact O-N 3.42Å |
| 372 | K | 89.3 | Confident | 82.6 | Confident | 137 Ų | 137 | 68.3 Ų | 68.3 | 60% | 0.596 | 41% | 0.414 | S | S | * | . | P | Polyproline II helix | trans | -80.9 | 116.3 | -175.8 | -66.5 | -178.4 | -177.2 | 179.1 | 0 | 111.1 | A370 G374 V375 T376 | A370-K372 PolarHBondContact O-N 3.17Å; K372-G374 VanDerWaalsContact C-N 3.25Å; K372-G374 PolarHBondContact O-N 3.41Å; K372-V375 HydrophobicContact CB-CB 4.34Å; K372-V375 HydrophobicContact CB-CG2 3.9Å; K372-V375 HydrophobicContact CD-CG2 4.48Å; K372-V375 WeakPolarHBondContact O-CB 3.36Å; K372-V375 PolarHBondContact O-N 3.18Å; K372-T376 PolarHBondContact O-N 3.3Å |
| 373 | L | 89.8 | Confident | 84.5 | Confident | 127 Ų | 127 | 70 Ų | 70 | 67% | 0.665 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -53.2 | -40.9 | 177.5 | -176.3 | 64.5 | 0 | 0 | 0 | 113.1 | P371 V375 T376 L377 | P371-L373 PolarHBondContact O-N 3.42Å; L373-V375 PolarHBondContact O-N 3.48Å; L373-T376 PolarHBondContact O-N 3.41Å; L373-L377 HydrophobicContact CD1-CG 4.38Å; L373-L377 HydrophobicContact CD2-CD1 4.45Å; L373-L377 HydrophobicContact CG-CD1 4.03Å; L373-L377 HydrophobicContact CG-CG 4.26Å; L373-L377 WeakPolarHBondContact O-CG 2.69Å; L373-L377 PolarHBondContact O-N 3.44Å |
| 374 | G | 89.9 | Confident | 86.4 | Confident | 51 Ų | 51 | 69.4 Ų | 69.4 | 53% | 0.526 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.8 | -31.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K372 L378 | K372-G374 VanDerWaalsContact C-N 3.25Å; K372-G374 PolarHBondContact O-N 3.41Å; G374-L378 VanDerWaalsContact O-CB 3.3Å; G374-L378 WeakPolarHBondContact O-CB 3.28Å; G374-L378 PolarHBondContact O-N 3.44Å |
| 375 | V | 89.8 | Confident | 87.7 | Confident | 21 Ų | 21 | 71.7 Ų | 71.7 | 13% | 0.127 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71.6 | -44.1 | 176 | 175.2 | 0 | 0 | 0 | 0 | 110.4 | I106 N110 V111 K372 L373 L378 L379 | I106-V375 HydrophobicContact CG2-CG1 3.61Å; N110-V375 HydrophobicContact CB-CG1 4.18Å; N110-V375 HydrophobicContact CB-CG2 4.01Å; V111-V375 HydrophobicContact CG2-CG1 4.05Å; K372-V375 HydrophobicContact CB-CB 4.34Å; K372-V375 HydrophobicContact CB-CG2 3.9Å; K372-V375 HydrophobicContact CD-CG2 4.48Å; K372-V375 WeakPolarHBondContact O-CB 3.36Å; K372-V375 PolarHBondContact O-N 3.18Å; L373-V375 PolarHBondContact O-N 3.48Å; V375-L378 PolarHBondContact O-N 3.19Å; V375-L379 HydrophobicContact CG1-CD1 4.25Å; V375-L379 WeakPolarHBondContact O-CG 3.44Å; V375-L379 PolarHBondContact O-N 3.33Å |
| 376 | T | 91.2 | Very high | 88.9 | Confident | 56 Ų | 56 | 65 Ų | 65 | 34% | 0.344 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 177.3 | -51.6 | 0 | 0 | 0 | 0 | 111.5 | K372 L373 L379 G380 | K372-T376 PolarHBondContact O-N 3.3Å; L373-T376 PolarHBondContact O-N 3.41Å; T376-L379 PolarHBondContact O-N 3.4Å; T376-G380 PolarHBondContact O-N 3.03Å |
| 377 | L | 93.1 | Very high | 89.8 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 56% | 0.56 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.2 | -44.9 | 175.2 | -71.4 | 174.9 | 0 | 0 | 0 | 111.7 | L373 L379 G380 C381 | L373-L377 HydrophobicContact CD1-CG 4.38Å; L373-L377 HydrophobicContact CD2-CD1 4.45Å; L373-L377 HydrophobicContact CG-CD1 4.03Å; L373-L377 HydrophobicContact CG-CG 4.26Å; L373-L377 WeakPolarHBondContact O-CG 2.69Å; L373-L377 PolarHBondContact O-N 3.44Å; L377-L379 PolarHBondContact O-N 3.38Å; L377-G380 PolarHBondContact O-N 3.46Å; L377-C381 PolarHBondContact O-N 3.4Å; L377-C381 PolarHBondContact O-SG 3.15Å; L377-C381 VanDerWaalsContact O-SG 3.35Å |
| 378 | L | 92.6 | Very high | 90.8 | Very high | 76 Ų | 76 | 66.6 Ų | 66.6 | 40% | 0.398 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -42.8 | 178.5 | -177.8 | 62.3 | 0 | 0 | 0 | 112.2 | I106 G374 V375 G380 C381 F382 | I106-L378 HydrophobicContact CD1-CD2 3.53Å; I106-L378 HydrophobicContact CD1-CG 3.94Å; I106-L378 HydrophobicContact CG1-CD2 4.43Å; G374-L378 VanDerWaalsContact O-CB 3.3Å; G374-L378 WeakPolarHBondContact O-CB 3.28Å; G374-L378 PolarHBondContact O-N 3.44Å; V375-L378 PolarHBondContact O-N 3.19Å; L378-G380 VanDerWaalsContact C-N 3.34Å; L378-C381 WeakPolarHBondContact O-CB 3.42Å; L378-C381 PolarHBondContact O-N 3.15Å; L378-F382 HydrophobicContact CD1-CE1 4Å; L378-F382 HydrophobicContact CD1-CZ 4.11Å; L378-F382 HydrophobicContact CG-CZ 4.42Å; L378-F382 PolarHBondContact O-N 3.36Å |
| 379 | L | 93.6 | Very high | 91.3 | Very high | 11 Ų | 11 | 64.1 Ų | 64.1 | 6% | 0.058 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 174 | -73.3 | 171 | 0 | 0 | 0 | 111.7 | I106 I290 V294 V375 T376 L377 C381 F382 W383 | I106-L379 HydrophobicContact CB-CD2 4.23Å; I106-L379 HydrophobicContact CG2-CD1 4.39Å; I106-L379 HydrophobicContact CG2-CD2 4.04Å; I106-L379 HydrophobicContact CG2-CG 4.09Å; I290-L379 HydrophobicContact CG2-CD1 4.24Å; I290-L379 HydrophobicContact CG2-CD2 4.3Å; V294-L379 HydrophobicContact CG2-CD1 3.91Å; V375-L379 HydrophobicContact CG1-CD1 4.25Å; V375-L379 WeakPolarHBondContact O-CG 3.44Å; V375-L379 PolarHBondContact O-N 3.33Å; T376-L379 PolarHBondContact O-N 3.4Å; L377-L379 PolarHBondContact O-N 3.38Å; L379-C381 PolarHBondContact O-N 3.18Å; L379-F382 PolarHBondContact O-N 3.04Å; L379-W383 WeakPolarHBondContact O-CB 3.11Å; L379-W383 PolarHBondContact O-N 3.35Å |
| 380 | G | 93.2 | Very high | 91.6 | Very high | 33 Ų | 33 | 62.4 Ų | 62.4 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.7 | -39.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T376 L377 L378 W383 L384 | T376-G380 PolarHBondContact O-N 3.03Å; L377-G380 PolarHBondContact O-N 3.46Å; L378-G380 VanDerWaalsContact C-N 3.34Å; G380-W383 WeakPolarHBondContact O-CB 2.9Å; G380-W383 PolarHBondContact O-N 3.24Å; G380-L384 PolarHBondContact O-N 3.49Å |
| 381 | C | 94.4 | Very high | 91.4 | Very high | 72 Ų | 72 | 65.7 Ų | 65.7 | 49% | 0.486 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 173.3 | -70.1 | 0 | 0 | 0 | 0 | 111.6 | L377 L378 L379 W383 L384 M385 | L377-C381 PolarHBondContact O-N 3.4Å; L377-C381 PolarHBondContact O-SG 3.15Å; L377-C381 VanDerWaalsContact O-SG 3.35Å; L378-C381 WeakPolarHBondContact O-CB 3.42Å; L378-C381 PolarHBondContact O-N 3.15Å; L379-C381 PolarHBondContact O-N 3.18Å; C381-W383 VanDerWaalsContact C-N 3.26Å; C381-W383 PolarHBondContact O-N 3.08Å; C381-L384 PolarHBondContact O-N 3.22Å; C381-M385 WeakPolarHBondContact O-CB 3.44Å; C381-M385 VanDerWaalsContact O-CG 3.23Å; C381-M385 WeakPolarHBondContact O-CG 3.25Å; C381-M385 PolarHBondContact O-N 3.09Å |
| 382 | F | 93.6 | Very high | 91.4 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 20% | 0.202 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -33.7 | 176.3 | -73.7 | -3.5 | 0 | 0 | 0 | 112.6 | L99 A102 S103 I106 L378 L379 S386 | L99-F382 HydrophobicContact CD2-CD1 4.07Å; L99-F382 HydrophobicContact CD2-CE1 4.42Å; L99-F382 HydrophobicContact CD2-CG 4.32Å; A102-F382 HydrophobicContact CB-CD2 4.4Å; A102-F382 HydrophobicContact CB-CE2 3.78Å; A102-F382 HydrophobicContact CB-CZ 4.49Å; S103-F382 WeakPolarHBondContact OG-CD2 3.37Å; I106-F382 HydrophobicContact CD1-CD2 3.95Å; I106-F382 HydrophobicContact CD1-CE2 3.36Å; I106-F382 HydrophobicContact CD1-CZ 4.18Å; L378-F382 HydrophobicContact CD1-CE1 4Å; L378-F382 HydrophobicContact CD1-CZ 4.11Å; L378-F382 HydrophobicContact CG-CZ 4.42Å; L378-F382 PolarHBondContact O-N 3.36Å; L379-F382 PolarHBondContact O-N 3.04Å; F382-S386 VanDerWaalsContact O-CB 3.31Å; F382-S386 WeakPolarHBondContact O-CB 3.46Å; F382-S386 PolarHBondContact O-N 2.99Å; F382-S386 PolarHBondContact O-OG 3.02Å |
| 383 | W | 93.3 | Very high | 91.3 | Very high | 124 Ų | 124 | 61.6 Ų | 61.6 | 47% | 0.47 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.9 | -56.1 | 171.7 | -173.7 | 44.9 | 0 | 0 | 0 | 111.5 | F287 L379 G380 C381 M385 S386 Y387 | F287-W383 HydrophobicContact CB-CG 4.4Å; F287-W383 HydrophobicContact CD1-CB 3.73Å; F287-W383 AromaticContact CD1-CD1 3.41Å; F287-W383 VanDerWaalsContact CD1-CD1 3.41Å; F287-W383 AromaticContact CD1-CG 3.79Å; F287-W383 HydrophobicContact CD1-CG 3.79Å; F287-W383 AromaticContact CD2-CD1 3.3Å; F287-W383 HydrophobicContact CD2-CG 4.34Å; F287-W383 AromaticContact CD2-NE1 3.96Å; F287-W383 VanDerWaalsContact CE1-CA 3.46Å; F287-W383 HydrophobicContact CE1-CB 3.57Å; F287-W383 AromaticContact CE1-CD1 3.89Å; F287-W383 HydrophobicContact CE1-CG 4.1Å; F287-W383 AromaticContact CE2-CD1 3.78Å; F287-W383 HydrophobicContact CG-CB 4.31Å; F287-W383 AromaticContact CG-CD1 3.09Å; F287-W383 AromaticContact CG-CG 3.93Å; F287-W383 HydrophobicContact CG-CG 3.93Å; F287-W383 AromaticContact CG-NE1 3.65Å; F287-W383 VanDerWaalsContact CZ-CA 3.42Å; F287-W383 HydrophobicContact CZ-CB 4.04Å; F287-W383 HydrophobicContact CZ-CG 4.5Å; L379-W383 WeakPolarHBondContact O-CB 3.11Å; L379-W383 PolarHBondContact O-N 3.35Å; G380-W383 WeakPolarHBondContact O-CB 2.9Å; G380-W383 PolarHBondContact O-N 3.24Å; C381-W383 VanDerWaalsContact C-N 3.26Å; C381-W383 PolarHBondContact O-N 3.08Å; W383-M385 VanDerWaalsContact C-N 3.32Å; W383-M385 PolarHBondContact O-N 2.9Å; W383-S386 WeakPolarHBondContact O-CB 3.44Å; W383-S386 PolarHBondContact O-N 3.04Å; W383-S386 VanDerWaalsContact O-N 3.08Å; W383-Y387 AromaticContact CD1-CD2 3.8Å; W383-Y387 AromaticContact CD1-CE2 3.35Å; W383-Y387 HydrophobicContact CD2-CE2 4.48Å; W383-Y387 AromaticContact CE2-CE2 3.71Å; W383-Y387 HydrophobicContact CG-CE2 4.32Å; W383-Y387 HydrophobicContact CZ2-CE2 4.3Å; W383-Y387 AromaticContact NE1-CD2 3.88Å; W383-Y387 AromaticContact NE1-CE2 3.03Å; W383-Y387 AromaticContact NE1-CZ 3.63Å; W383-Y387 VanDerWaalsContact O-CD2 3.31Å; W383-Y387 WeakPolarHBondContact O-CD2 3.32Å; W383-Y387 PolarHBondContact O-N 3.46Å; W383-Y387 VanDerWaalsContact O-N 3.09Å |
| 384 | L | 93.3 | Very high | 91.1 | Very high | 125 Ų | 125 | 55.7 Ų | 55.7 | 65% | 0.654 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -57.4 | -45.3 | 178.6 | -176.5 | 65 | 0 | 0 | 0 | 111.9 | G380 C381 S386 Y387 L388 | G380-L384 PolarHBondContact O-N 3.49Å; C381-L384 PolarHBondContact O-N 3.22Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.34Å; L384-Y387 PolarHBondContact O-N 2.86Å; L384-L388 PolarHBondContact O-N 2.85Å |
| 385 | M | 92.6 | Very high | 90.9 | Very high | 87 Ų | 87 | 57.5 Ų | 57.5 | 43% | 0.429 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.8 | -37.2 | 177.6 | -71 | -59 | -67.1 | 0 | 0 | 112.3 | L99 C381 W383 L388 M389 | L99-M385 HydrophobicContact CD1-CB 3.93Å; C381-M385 WeakPolarHBondContact O-CB 3.44Å; C381-M385 VanDerWaalsContact O-CG 3.23Å; C381-M385 WeakPolarHBondContact O-CG 3.25Å; C381-M385 PolarHBondContact O-N 3.09Å; W383-M385 VanDerWaalsContact C-N 3.32Å; W383-M385 PolarHBondContact O-N 2.9Å; M385-L388 HydrophobicContact CE-CD2 4.5Å; M385-L388 PolarHBondContact O-N 2.82Å; M385-L388 HydrophobicContact SD-CD2 4.25Å; M385-M389 WeakPolarHBondContact O-CB 3.44Å; M385-M389 WeakPolarHBondContact O-CG 3.06Å; M385-M389 PolarHBondContact O-N 2.77Å |
| 386 | S | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 177.1 | -63.7 | 0 | 0 | 0 | 0 | 111.8 | R96 L99 F382 W383 L384 M389 V390 | R96-S386 WeakPolarHBondContact CD-O 3.08Å; L99-S386 WeakPolarHBondContact CB-OG 3.46Å; L99-S386 WeakPolarHBondContact CD1-OG 3.33Å; F382-S386 VanDerWaalsContact O-CB 3.31Å; F382-S386 WeakPolarHBondContact O-CB 3.46Å; F382-S386 PolarHBondContact O-N 2.99Å; F382-S386 PolarHBondContact O-OG 3.02Å; W383-S386 WeakPolarHBondContact O-CB 3.44Å; W383-S386 PolarHBondContact O-N 3.04Å; W383-S386 VanDerWaalsContact O-N 3.08Å; L384-S386 VanDerWaalsContact C-N 3.31Å; L384-S386 PolarHBondContact O-N 3.34Å; S386-M389 PolarHBondContact O-N 3.36Å; S386-V390 PolarHBondContact O-N 3.44Å |
| 387 | Y | 91.2 | Very high | 90.7 | Very high | 56 Ų | 56 | 56.8 Ų | 56.8 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.3 | -46.1 | 174.3 | -85 | -112.5 | 0 | 0 | 0 | 111.2 | L280 V283 T284 W383 L384 M389 V390 F391 | L280-Y387 HydrophobicContact CD1-CD1 3.44Å; L280-Y387 VanDerWaalsContact CD1-CD1 3.44Å; L280-Y387 HydrophobicContact CD1-CE1 3.42Å; L280-Y387 VanDerWaalsContact CD1-CE1 3.42Å; L280-Y387 HydrophobicContact CD1-CG 4.33Å; L280-Y387 HydrophobicContact CG-CE1 4.4Å; V283-Y387 HydrophobicContact CG1-CD2 3.98Å; V283-Y387 HydrophobicContact CG1-CE2 3.78Å; T284-Y387 HydrophobicContact CG2-CE1 4.26Å; T284-Y387 WeakPolarHBondContact CG2-OH 3.03Å; W383-Y387 AromaticContact CD1-CD2 3.8Å; W383-Y387 AromaticContact CD1-CE2 3.35Å; W383-Y387 HydrophobicContact CD2-CE2 4.48Å; W383-Y387 AromaticContact CE2-CE2 3.71Å; W383-Y387 HydrophobicContact CG-CE2 4.32Å; W383-Y387 HydrophobicContact CZ2-CE2 4.3Å; W383-Y387 AromaticContact NE1-CD2 3.88Å; W383-Y387 AromaticContact NE1-CE2 3.03Å; W383-Y387 AromaticContact NE1-CZ 3.63Å; W383-Y387 VanDerWaalsContact O-CD2 3.31Å; W383-Y387 WeakPolarHBondContact O-CD2 3.32Å; W383-Y387 PolarHBondContact O-N 3.46Å; W383-Y387 VanDerWaalsContact O-N 3.09Å; L384-Y387 PolarHBondContact O-N 2.86Å; Y387-M389 PolarHBondContact O-N 3.02Å; Y387-V390 WeakPolarHBondContact O-CB 3.01Å; Y387-V390 PolarHBondContact O-N 2.91Å; Y387-F391 WeakPolarHBondContact O-CD2 3.24Å; Y387-F391 PolarHBondContact O-N 2.87Å |
| 388 | L | 91.4 | Very high | 90.4 | Very high | 87 Ų | 87 | 53.5 Ų | 53.5 | 46% | 0.455 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -55.8 | -42.4 | 175.2 | -175 | 67.1 | 0 | 0 | 0 | 111.2 | L384 M385 V390 F391 L392 | L384-L388 PolarHBondContact O-N 2.85Å; M385-L388 HydrophobicContact CE-CD2 4.5Å; M385-L388 PolarHBondContact O-N 2.82Å; M385-L388 HydrophobicContact SD-CD2 4.25Å; L388-V390 VanDerWaalsContact C-N 3.28Å; L388-V390 PolarHBondContact O-N 2.91Å; L388-F391 PolarHBondContact O-N 3.46Å; L388-L392 HydrophobicContact CD2-CD1 4.2Å; L388-L392 HydrophobicContact CG-CD1 3.85Å; L388-L392 HydrophobicContact CG-CG 4.24Å; L388-L392 WeakPolarHBondContact O-CG 3.47Å; L388-L392 PolarHBondContact O-N 3.3Å |
| 389 | M | 90.7 | Very high | 90.3 | Very high | 19 Ų | 19 | 54 Ų | 54 | 9% | 0.094 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.4 | -26.9 | 175.9 | -79 | -169.1 | 172.8 | 0 | 0 | 114.1 | V90 R96 L99 M385 S386 Y387 F391 E393 | V90-M389 HydrophobicContact CG1-CE 3.97Å; R96-M389 HydrophobicContact CG-CB 3.68Å; R96-M389 HydrophobicContact CG-SD 4.03Å; L99-M389 HydrophobicContact CD1-CE 4.1Å; L99-M389 HydrophobicContact CD1-SD 3.65Å; M385-M389 WeakPolarHBondContact O-CB 3.44Å; M385-M389 WeakPolarHBondContact O-CG 3.06Å; M385-M389 PolarHBondContact O-N 2.77Å; S386-M389 PolarHBondContact O-N 3.36Å; Y387-M389 PolarHBondContact O-N 3.02Å; M389-F391 VanDerWaalsContact C-N 3.34Å; M389-E393 VanDerWaalsContact O-CB 3.27Å; M389-E393 WeakPolarHBondContact O-CB 3.48Å; M389-E393 PolarHBondContact O-N 2.72Å |
| 390 | V | 89.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.012 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.7 | -40.6 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 110.6 | S276 L280 V283 S386 Y387 L388 | S276-V390 VanDerWaalsContact OG-CG1 3.25Å; S276-V390 WeakPolarHBondContact OG-CG1 3.46Å; L280-V390 HydrophobicContact CB-CG1 4.48Å; V283-V390 HydrophobicContact CG2-CG2 4.28Å; S386-V390 PolarHBondContact O-N 3.44Å; Y387-V390 WeakPolarHBondContact O-CB 3.01Å; Y387-V390 PolarHBondContact O-N 2.91Å; L388-V390 VanDerWaalsContact C-N 3.28Å; L388-V390 PolarHBondContact O-N 2.91Å |
| 391 | F | 85.2 | Confident | 90.1 | Very high | 120 Ų | 120 | 54.5 Ų | 54.5 | 53% | 0.526 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -73.1 | -44.6 | 175.8 | -61.9 | -74 | 0 | 0 | 0 | 111.8 | Y387 L388 M389 E393 | Y387-F391 WeakPolarHBondContact O-CD2 3.24Å; Y387-F391 PolarHBondContact O-N 2.87Å; L388-F391 PolarHBondContact O-N 3.46Å; M389-F391 VanDerWaalsContact C-N 3.34Å; F391-E393 PolarHBondContact O-N 2.83Å |
| 392 | L | 87.9 | Confident | 89.9 | Confident | 68 Ų | 68 | 55.6 Ų | 55.6 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.7 | -25.3 | 177.9 | -67.9 | 176.9 | 0 | 0 | 0 | 112.5 | C91 L388 V394 Y395 A396 | C91-L392 HydrophobicContact CB-CB 4.4Å; L388-L392 HydrophobicContact CD2-CD1 4.2Å; L388-L392 HydrophobicContact CG-CD1 3.85Å; L388-L392 HydrophobicContact CG-CG 4.24Å; L388-L392 WeakPolarHBondContact O-CG 3.47Å; L388-L392 PolarHBondContact O-N 3.3Å; L392-V394 PolarHBondContact O-N 3.5Å; L392-Y395 CarbonylContact O-C 3.55Å; L392-Y395 PolarHBondContact O-N 3.35Å; L392-Y395 VanDerWaalsContact O-N 3.07Å; L392-A396 VanDerWaalsContact O-CB 3.31Å; L392-A396 WeakPolarHBondContact O-CB 3.04Å; L392-A396 PolarHBondContact O-N 2.92Å |
| 393 | E | 89.2 | Confident | 89.9 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -56.9 | -36.5 | -178.2 | 178 | 179.8 | 176.4 | 0 | 0 | 113 | C91 K93 R96 M389 F391 R397 | C91-E393 VanDerWaalsContact O-CA 3.23Å; C91-E393 WeakPolarHBondContact O-CA 3.31Å; K93-E393 WeakPolarHBondContact CE-OE1 3.46Å; K93-E393 WeakPolarHBondContact CG-OE1 3.31Å; R96-E393 IonicContact CZ-OE2 3.83Å; R96-E393 IonicContact NH1-OE2 2.73Å; R96-E393 PolarHBondContact NH1-OE2 3.2Å; R96-E393 IonicContact NH2-OE2 2.64Å; R96-E393 PolarHBondContact NH2-OE2 3.37Å; M389-E393 VanDerWaalsContact O-CB 3.27Å; M389-E393 WeakPolarHBondContact O-CB 3.48Å; M389-E393 PolarHBondContact O-N 2.72Å; F391-E393 PolarHBondContact O-N 2.83Å; E393-R397 WeakPolarHBondContact O-CB 3.08Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.9Å; E393-R397 PolarHBondContact O-NE 3.47Å; E393-R397 IonicContact OE1-CZ 3.68Å; E393-R397 IonicContact OE1-NE 3.45Å; E393-R397 IonicContact OE1-NH2 3.92Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å |
| 394 | V | 84.9 | Confident | 89.9 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.1 | -46.8 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | L392 R397 R398 | L392-V394 PolarHBondContact O-N 3.5Å; V394-R397 PolarHBondContact O-N 1.98Å; V394-R398 WeakPolarHBondContact O-CG 2.98Å; V394-R398 PolarHBondContact O-N 2.81Å |
| 395 | Y | 85.7 | Confident | 89.8 | Confident | 88 Ų | 88 | 42.7 Ų | 42.7 | 35% | 0.345 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -70.3 | -37.5 | 178.7 | -61.8 | -72.8 | 0 | 0 | 0 | 112.5 | L392 R397 R398 L399 | L392-Y395 CarbonylContact O-C 3.55Å; L392-Y395 PolarHBondContact O-N 3.35Å; L392-Y395 VanDerWaalsContact O-N 3.07Å; Y395-R397 VanDerWaalsContact C-N 3.34Å; Y395-R397 PolarHBondContact O-N 2.65Å; Y395-R398 PolarHBondContact O-N 3.2Å; Y395-L399 WeakPolarHBondContact O-CB 3.23Å; Y395-L399 PolarHBondContact O-N 2.92Å |
| 396 | A | 90.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 40 Ų | 40 | 5% | 0.05 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.8 | -42 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P88 C91 T92 L392 L399 R400 | P88-A396 HydrophobicContact CB-CB 4.42Å; P88-A396 WeakPolarHBondContact O-CB 3.34Å; C91-A396 HydrophobicContact CB-CB 3.69Å; T92-A396 HydrophobicContact CG2-CB 4.11Å; L392-A396 VanDerWaalsContact O-CB 3.31Å; L392-A396 WeakPolarHBondContact O-CB 3.04Å; L392-A396 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.48Å; A396-R400 WeakPolarHBondContact O-CG 3.46Å; A396-R400 PolarHBondContact O-N 2.92Å |
| 397 | R | 86.4 | Confident | 89.9 | Confident | 57 Ų | 57 | 40.2 Ų | 40.2 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -47.7 | 173.4 | -80.8 | -175.1 | -92.7 | 171.9 | -11.2 | 111.8 | E393 V394 Y395 L399 R400 R401 | E393-R397 WeakPolarHBondContact O-CB 3.08Å; E393-R397 WeakPolarHBondContact O-CG 3.41Å; E393-R397 PolarHBondContact O-N 2.9Å; E393-R397 PolarHBondContact O-NE 3.47Å; E393-R397 IonicContact OE1-CZ 3.68Å; E393-R397 IonicContact OE1-NE 3.45Å; E393-R397 IonicContact OE1-NH2 3.92Å; E393-R397 PolarHBondContact OE1-NH2 2.76Å; V394-R397 PolarHBondContact O-N 1.98Å; Y395-R397 VanDerWaalsContact C-N 3.34Å; Y395-R397 PolarHBondContact O-N 2.65Å; R397-L399 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 3.27Å; R397-R400 PolarHBondContact O-N 3.43Å; R397-R401 PolarHBondContact O-N 3.41Å |
| 398 | R | 87.3 | Confident | 90.1 | Very high | 37 Ų | 37 | 39.4 Ų | 39.4 | 14% | 0.14 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.7 | -65.6 | 173.4 | -173.2 | -165.7 | 1 | 111.8 | F245 V265 K267 E272 V394 Y395 R401 N402 | F245-R398 VanDerWaalsContact CE2-NH2 3.25Å; V265-R398 PolarHBondContact O-NH1 3.34Å; K267-R398 PolarHBondContact O-NH1 2.83Å; K267-R398 PolarHBondContact O-NH2 2.92Å; E272-R398 IonicContact OE1-CZ 3.93Å; E272-R398 IonicContact OE1-NE 3.82Å; E272-R398 IonicContact OE1-NH2 2.89Å; E272-R398 PolarHBondContact OE1-NH2 3.35Å; E272-R398 IonicContact OE2-NH2 3.13Å; E272-R398 PolarHBondContact OE2-NH2 2.85Å; V394-R398 WeakPolarHBondContact O-CG 2.98Å; V394-R398 PolarHBondContact O-N 2.81Å; Y395-R398 PolarHBondContact O-N 3.2Å; R398-R401 WeakPolarHBondContact O-CB 3.12Å; R398-R401 PolarHBondContact O-N 3.03Å; R398-N402 PolarHBondContact O-N 2.81Å |
| 399 | L | 90.1 | Very high | 90.1 | Very high | 87 Ų | 87 | 41.6 Ų | 41.6 | 46% | 0.455 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.6 | -44.1 | 178.2 | -176.7 | 55.9 | 0 | 0 | 0 | 111.6 | P88 Y395 A396 R397 R401 N402 I403 | P88-L399 HydrophobicContact CB-CB 4.35Å; P88-L399 HydrophobicContact CB-CD2 4.05Å; P88-L399 HydrophobicContact CB-CG 4.22Å; P88-L399 HydrophobicContact CG-CD2 4.48Å; P88-L399 HydrophobicContact CG-CG 4.43Å; Y395-L399 WeakPolarHBondContact O-CB 3.23Å; Y395-L399 PolarHBondContact O-N 2.92Å; A396-L399 PolarHBondContact O-N 3.48Å; R397-L399 VanDerWaalsContact C-N 3.34Å; R397-L399 PolarHBondContact O-N 3.27Å; L399-R401 VanDerWaalsContact C-N 3.29Å; L399-R401 PolarHBondContact O-N 3.17Å; L399-N402 PolarHBondContact O-N 3.46Å; L399-N402 VanDerWaalsContact O-N 3.13Å; L399-I403 HydrophobicContact CD1-CD1 4.34Å; L399-I403 HydrophobicContact CD1-CG1 4.28Å; L399-I403 HydrophobicContact CG-CD1 4.04Å; L399-I403 HydrophobicContact CG-CG1 4.46Å; L399-I403 VanDerWaalsContact O-CG1 3.24Å; L399-I403 WeakPolarHBondContact O-CG1 3.11Å; L399-I403 PolarHBondContact O-N 3.47Å |
| 400 | R | 92.5 | Very high | 90.1 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.1 | -45.1 | 174.4 | -72 | -174.3 | -52.3 | 176.7 | 5.6 | 111.8 | P88 T89 Y231 A396 R397 I403 C404 | P88-R400 HydrophobicContact CB-CG 3.89Å; P88-R400 HydrophobicContact CG-CG 3.74Å; T89-R400 VanDerWaalsContact OG1-CD 3.25Å; T89-R400 WeakPolarHBondContact OG1-CD 3.22Å; Y231-R400 HydrophobicContact CE1-CB 4.07Å; A396-R400 WeakPolarHBondContact O-CG 3.46Å; A396-R400 PolarHBondContact O-N 2.92Å; R397-R400 PolarHBondContact O-N 3.43Å; R400-I403 PolarHBondContact O-N 3.09Å; R400-C404 PolarHBondContact O-N 3.28Å; R400-C404 PolarHBondContact O-SG 3.29Å; R400-C404 VanDerWaalsContact O-SG 3.37Å |
| 401 | R | 90.1 | Very high | 90.1 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.1 | -47.5 | 175.5 | -171.1 | -166.2 | 158.8 | 178.7 | -7.2 | 111.6 | Y235 I246 R397 R398 L399 I403 C404 A405 E412 | Y235-R401 HydrophobicContact CE2-CG 3.99Å; I246-R401 VanDerWaalsContact CD1-NH2 3.26Å; R397-R401 PolarHBondContact O-N 3.41Å; R398-R401 WeakPolarHBondContact O-CB 3.12Å; R398-R401 PolarHBondContact O-N 3.03Å; L399-R401 VanDerWaalsContact C-N 3.29Å; L399-R401 PolarHBondContact O-N 3.17Å; R401-I403 VanDerWaalsContact C-N 3.29Å; R401-I403 PolarHBondContact O-N 3.03Å; R401-C404 PolarHBondContact O-N 3.1Å; R401-A405 WeakPolarHBondContact O-CB 3.26Å; R401-A405 PolarHBondContact O-N 3.44Å; R401-E412 IonicContact CZ-OE1 3.76Å; R401-E412 IonicContact NH2-OE1 3.92Å; R401-E412 PolarHBondContact NH2-OE1 3.27Å; R401-E412 IonicContact NH2-OE2 2.82Å |
| 402 | N | 89.9 | Confident | 90.4 | Very high | 95 Ų | 95 | 43.3 Ų | 43.3 | 51% | 0.508 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -63.5 | -35 | 179.9 | -72.2 | -10.3 | 0 | 0 | 0 | 112.6 | R398 L399 S406 | R398-N402 PolarHBondContact O-N 2.81Å; L399-N402 PolarHBondContact O-N 3.46Å; L399-N402 VanDerWaalsContact O-N 3.13Å; N402-S406 WeakPolarHBondContact O-CB 3.28Å; N402-S406 PolarHBondContact O-N 2.95Å; N402-S406 PolarHBondContact O-OG 3.01Å |
| 403 | I | 93.8 | Very high | 90.4 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.8 | -53.9 | 172.7 | -64.9 | 164.8 | 0 | 0 | 0 | 109.2 | W12 T84 M85 P88 L399 R400 R401 A405 S406 F407 | W12-I403 HydrophobicContact CH2-CG1 4Å; W12-I403 HydrophobicContact CH2-CG2 4.45Å; W12-I403 HydrophobicContact CZ2-CG1 4.26Å; T84-I403 HydrophobicContact CG2-CD1 4.12Å; T84-I403 HydrophobicContact CG2-CG1 4.46Å; T84-I403 HydrophobicContact CG2-CG2 4.12Å; M85-I403 HydrophobicContact CG-CB 4.16Å; M85-I403 HydrophobicContact CG-CD1 4.31Å; M85-I403 HydrophobicContact CG-CG2 3.81Å; P88-I403 HydrophobicContact CG-CD1 3.72Å; L399-I403 HydrophobicContact CD1-CD1 4.34Å; L399-I403 HydrophobicContact CD1-CG1 4.28Å; L399-I403 HydrophobicContact CG-CD1 4.04Å; L399-I403 HydrophobicContact CG-CG1 4.46Å; L399-I403 VanDerWaalsContact O-CG1 3.24Å; L399-I403 WeakPolarHBondContact O-CG1 3.11Å; L399-I403 PolarHBondContact O-N 3.47Å; R400-I403 PolarHBondContact O-N 3.09Å; R401-I403 VanDerWaalsContact C-N 3.29Å; R401-I403 PolarHBondContact O-N 3.03Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.05Å; I403-S406 WeakPolarHBondContact O-CB 3.39Å; I403-S406 PolarHBondContact O-N 2.93Å; I403-F407 HydrophobicContact CG2-CD2 3.94Å; I403-F407 HydrophobicContact CG2-CE2 3.96Å; I403-F407 VanDerWaalsContact O-CD2 3.32Å; I403-F407 WeakPolarHBondContact O-CD2 3.28Å; I403-F407 PolarHBondContact O-N 2.89Å; I403-F407 VanDerWaalsContact O-N 3.09Å |
| 404 | C | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56 | -42.4 | 177.3 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | M85 Y235 R400 R401 S406 F407 F408 | M85-C404 PolarHBondContact SD-SG 2.83Å; Y235-C404 HydrophobicContact CD1-CB 3.74Å; Y235-C404 HydrophobicContact CD2-CB 3.69Å; Y235-C404 HydrophobicContact CE1-CB 3.63Å; Y235-C404 HydrophobicContact CE2-CB 3.54Å; Y235-C404 HydrophobicContact CG-CB 3.8Å; R400-C404 PolarHBondContact O-N 3.28Å; R400-C404 PolarHBondContact O-SG 3.29Å; R400-C404 VanDerWaalsContact O-SG 3.37Å; R401-C404 PolarHBondContact O-N 3.1Å; C404-S406 VanDerWaalsContact C-N 3.32Å; C404-S406 PolarHBondContact O-N 3.21Å; C404-F407 PolarHBondContact O-N 3.4Å; C404-F408 PolarHBondContact O-N 2.84Å |
| 405 | A | 91.6 | Very high | 90.6 | Very high | 18 Ų | 18 | 51.3 Ų | 51.3 | 15% | 0.149 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -35.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y235 R401 I403 E412 | Y235-A405 WeakPolarHBondContact OH-CA 3.45Å; Y235-A405 PolarHBondContact OH-N 2.87Å; R401-A405 WeakPolarHBondContact O-CB 3.26Å; R401-A405 PolarHBondContact O-N 3.44Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.05Å; A405-E412 HydrophobicContact CB-CB 4.16Å; A405-E412 HydrophobicContact CB-CG 3.95Å |
| 406 | S | 92.9 | Very high | 90.5 | Very high | 31 Ų | 31 | 54 Ų | 54 | 22% | 0.217 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.5 | -41.9 | 177.1 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | W12 N402 I403 C404 | W12-S406 PolarHBondContact NE1-OG 3.4Å; N402-S406 WeakPolarHBondContact O-CB 3.28Å; N402-S406 PolarHBondContact O-N 2.95Å; N402-S406 PolarHBondContact O-OG 3.01Å; I403-S406 WeakPolarHBondContact O-CB 3.39Å; I403-S406 PolarHBondContact O-N 2.93Å; C404-S406 VanDerWaalsContact C-N 3.32Å; C404-S406 PolarHBondContact O-N 3.21Å |
| 407 | F | 94.6 | Very high | 90.4 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.018 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.9 | -38.6 | -179.8 | -82.7 | -103.2 | 0 | 0 | 0 | 112.7 | W12 Y15 S16 H77 R80 C81 I403 C404 | W12-F407 HydrophobicContact CH2-CE2 4.42Å; Y15-F407 HydrophobicContact CD1-CE2 4.39Å; Y15-F407 AromaticContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CD1-CZ 3.78Å; Y15-F407 HydrophobicContact CE1-CE2 4.38Å; Y15-F407 AromaticContact CE1-CZ 3.64Å; Y15-F407 HydrophobicContact CE1-CZ 3.64Å; S16-F407 WeakPolarHBondContact O-CA 3.46Å; H77-F407 AromaticContact CD2-CD1 3.8Å; H77-F407 AromaticContact CE1-CD1 3.87Å; H77-F407 PolarHBondContact CE1-O 3.4Å; H77-F407 AromaticContact NE2-CD1 3.41Å; H77-F407 WeakPolarHBondContact NE2-CD1 3.42Å; H77-F407 PolarHBondContact NE2-O 3.49Å; R80-F407 HydrophobicContact CB-CE1 3.57Å; R80-F407 HydrophobicContact CB-CZ 4.14Å; C81-F407 HydrophobicContact CB-CB 4.11Å; C81-F407 HydrophobicContact CB-CD1 3.62Å; C81-F407 HydrophobicContact CB-CD2 4.21Å; C81-F407 HydrophobicContact CB-CE1 4.07Å; C81-F407 HydrophobicContact CB-CG 3.71Å; I403-F407 HydrophobicContact CG2-CD2 3.94Å; I403-F407 HydrophobicContact CG2-CE2 3.96Å; I403-F407 VanDerWaalsContact O-CD2 3.32Å; I403-F407 WeakPolarHBondContact O-CD2 3.28Å; I403-F407 PolarHBondContact O-N 2.89Å; I403-F407 VanDerWaalsContact O-N 3.09Å; C404-F407 PolarHBondContact O-N 3.4Å |
| 408 | F | 94.6 | Very high | 90.4 | Very high | 40 Ų | 40 | 57.1 Ų | 57.1 | 18% | 0.175 | 27% | 0.267 | C | S | . | . | trans | -121.2 | 70.8 | -174.2 | -62.5 | -87.2 | 0 | 0 | 0 | 111.4 | H77 P78 C81 L232 L236 C404 E410 Q411 E412 | H77-F408 AromaticContact CE1-CE1 3.93Å; H77-F408 AromaticContact CE1-CZ 3.83Å; H77-F408 AromaticContact ND1-CE1 3.88Å; H77-F408 AromaticContact ND1-CZ 3.72Å; P78-F408 HydrophobicContact CB-CZ 4.18Å; P78-F408 HydrophobicContact CG-CZ 4.22Å; C81-F408 HydrophobicContact CB-CE2 4.14Å; L232-F408 HydrophobicContact CD1-CD2 3.99Å; L232-F408 HydrophobicContact CD1-CE2 3.6Å; L232-F408 HydrophobicContact CD1-CZ 4.39Å; L232-F408 HydrophobicContact CD2-CE2 4.24Å; L232-F408 HydrophobicContact CG-CE2 4.48Å; L236-F408 HydrophobicContact CD1-CD1 4.44Å; L236-F408 HydrophobicContact CD1-CE1 4.05Å; L236-F408 HydrophobicContact CD1-CE2 4.38Å; L236-F408 HydrophobicContact CD1-CZ 4.02Å; L236-F408 HydrophobicContact CD2-CB 3.92Å; L236-F408 HydrophobicContact CD2-CD1 3.64Å; L236-F408 HydrophobicContact CD2-CD2 3.98Å; L236-F408 HydrophobicContact CD2-CE1 4.1Å; L236-F408 HydrophobicContact CD2-CE2 4.42Å; L236-F408 HydrophobicContact CD2-CG 3.57Å; L236-F408 HydrophobicContact CD2-CZ 4.47Å; C404-F408 PolarHBondContact O-N 2.84Å; F408-E410 PolarHBondContact O-N 3.25Å; F408-Q411 HydrophobicContact CB-CB 4.18Å; F408-Q411 PolarHBondContact O-N 2.87Å; F408-E412 PolarHBondContact O-N 3.44Å | ||
| 409 | R | 91.3 | Very high | 90.2 | Very high | 132 Ų | 132 | 56.3 Ų | 56.3 | 50% | 0.498 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -46.7 | -176.3 | -64 | -176.6 | -175.8 | 179.1 | -0.2 | 113 | D13 Q411 E412 D413 | D13-R409 IonicContact OD1-CZ 2.76Å; D13-R409 IonicContact OD1-NH1 3.02Å; D13-R409 IonicContact OD1-NH2 3.26Å; D13-R409 PolarHBondContact OD1-NH2 3.49Å; R409-Q411 PolarHBondContact O-N 3.36Å; R409-E412 PolarHBondContact O-N 3.18Å; R409-D413 PolarHBondContact O-N 3.41Å |
| 410 | E | 90.9 | Very high | 89.9 | Confident | 146 Ų | 146 | 55.1 Ų | 55.1 | 68% | 0.682 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -56.3 | -39.1 | 179 | -66.1 | -177.5 | -174.1 | 0 | 0 | 112.6 | F408 D413 R414 | F408-E410 PolarHBondContact O-N 3.25Å; E410-D413 PolarHBondContact O-N 3.23Å; E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 3.5Å |
| 411 | Q | 90.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 59.9 Ų | 59.9 | 9% | 0.093 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.5 | -39.3 | 177.8 | -176.8 | 67.2 | -3.6 | 0 | 0 | 111.4 | Y235 L236 F408 R409 D413 R414 R415 | Y235-Q411 HydrophobicContact CD1-CG 4.37Å; Y235-Q411 HydrophobicContact CE1-CG 4.1Å; Y235-Q411 PolarHBondContact O-NE2 3.22Å; L236-Q411 HydrophobicContact CD2-CB 4.38Å; L236-Q411 HydrophobicContact CD2-CG 4.24Å; L236-Q411 PolarHBondContact O-NE2 2.76Å; F408-Q411 HydrophobicContact CB-CB 4.18Å; F408-Q411 PolarHBondContact O-N 2.87Å; R409-Q411 PolarHBondContact O-N 3.36Å; Q411-D413 VanDerWaalsContact C-N 3.32Å; Q411-R414 PolarHBondContact O-N 2.76Å; Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.13Å; Q411-R415 PolarHBondContact O-N 3.36Å |
| 412 | E | 89.6 | Confident | 89.4 | Confident | 12 Ų | 12 | 63 Ų | 63 | 6% | 0.056 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.8 | -36.5 | 175.2 | -176 | 63.4 | -175.9 | 0 | 0 | 111.6 | Y235 R401 A405 F408 R409 R415 R416 | Y235-E412 PolarHBondContact OH-OE2 3.11Å; R401-E412 IonicContact CZ-OE1 3.76Å; R401-E412 IonicContact NH2-OE1 3.92Å; R401-E412 PolarHBondContact NH2-OE1 3.27Å; R401-E412 IonicContact NH2-OE2 2.82Å; A405-E412 HydrophobicContact CB-CB 4.16Å; A405-E412 HydrophobicContact CB-CG 3.95Å; F408-E412 PolarHBondContact O-N 3.44Å; R409-E412 PolarHBondContact O-N 3.18Å; E412-R415 WeakPolarHBondContact O-CB 3.36Å; E412-R415 PolarHBondContact O-N 3.46Å; E412-R415 IonicContact OE2-NE 2.66Å; E412-R416 WeakPolarHBondContact O-CG 3.41Å; E412-R416 PolarHBondContact O-N 3.21Å; E412-R416 IonicContact OE1-NE 3.54Å |
| 413 | D | 89.2 | Confident | 89.1 | Confident | 91 Ų | 91 | 61.4 Ų | 61.4 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 175.8 | -66.1 | -30.2 | 0 | 0 | 0 | 111.6 | R409 E410 Q411 R415 R416 A417 | R409-D413 PolarHBondContact O-N 3.41Å; E410-D413 PolarHBondContact O-N 3.23Å; Q411-D413 VanDerWaalsContact C-N 3.32Å; D413-R415 VanDerWaalsContact C-N 3.28Å; D413-R415 PolarHBondContact O-N 2.99Å; D413-R416 PolarHBondContact O-N 3.08Å; D413-A417 PolarHBondContact O-N 2.68Å |
| 414 | R | 89 | Confident | 88.7 | Confident | 154 Ų | 154 | 64.9 Ų | 64.9 | 58% | 0.581 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -57.4 | -41.1 | 172.4 | -71.5 | 174.6 | -174.4 | -177.9 | 2.9 | 111.9 | E410 Q411 Y418 | E410-R414 WeakPolarHBondContact O-CG 3.46Å; E410-R414 PolarHBondContact O-N 3.5Å; Q411-R414 PolarHBondContact O-N 2.76Å; R414-Y418 WeakPolarHBondContact O-CB 3.47Å; R414-Y418 PolarHBondContact O-N 3.05Å |
| 415 | R | 87.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -67.1 | -42.5 | 177.8 | -73.5 | 174.6 | 63.3 | 151.6 | 2.1 | 112.3 | V239 F241 N243 Q411 E412 D413 Y418 L419 | V239-R415 HydrophobicContact CB-CG 4.19Å; V239-R415 HydrophobicContact CG1-CG 4.32Å; F241-R415 VanDerWaalsContact O-CZ 3.28Å; F241-R415 PolarHBondContact O-NH1 3.02Å; F241-R415 PolarHBondContact O-NH2 2.93Å; N243-R415 PolarHBondContact OD1-NH2 3.41Å; Q411-R415 VanDerWaalsContact O-CG 3.27Å; Q411-R415 WeakPolarHBondContact O-CG 3.13Å; Q411-R415 PolarHBondContact O-N 3.36Å; E412-R415 WeakPolarHBondContact O-CB 3.36Å; E412-R415 PolarHBondContact O-N 3.46Å; E412-R415 IonicContact OE2-NE 2.66Å; D413-R415 VanDerWaalsContact C-N 3.28Å; D413-R415 PolarHBondContact O-N 2.99Å; R415-Y418 PolarHBondContact O-N 3.09Å; R415-L419 WeakPolarHBondContact O-CG 3.34Å; R415-L419 PolarHBondContact O-N 3.08Å |
| 416 | R | 85.1 | Confident | 88 | Confident | 143 Ų | 143 | 72.8 Ų | 72.8 | 54% | 0.54 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -47.1 | 175 | -73.3 | 176.9 | -174 | -171.5 | 5.4 | 110.9 | E412 D413 Y418 L419 T420 | E412-R416 WeakPolarHBondContact O-CG 3.41Å; E412-R416 PolarHBondContact O-N 3.21Å; E412-R416 IonicContact OE1-NE 3.54Å; D413-R416 PolarHBondContact O-N 3.08Å; R416-Y418 PolarHBondContact O-N 2.88Å; R416-L419 PolarHBondContact O-N 2.87Å; R416-T420 PolarHBondContact O-N 3.4Å; R416-T420 PolarHBondContact O-OG1 3.39Å |
| 417 | A | 87.8 | Confident | 87.5 | Confident | 64 Ų | 64 | 75.6 Ų | 75.6 | 53% | 0.529 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D413 L419 T420 K421 | D413-A417 PolarHBondContact O-N 2.68Å; A417-L419 PolarHBondContact O-N 2.88Å; A417-T420 PolarHBondContact O-N 3.18Å; A417-K421 WeakPolarHBondContact O-CB 3.15Å; A417-K421 PolarHBondContact O-N 2.63Å |
| 418 | Y | 87.2 | Confident | 87.1 | Confident | 65 Ų | 65 | 81.8 Ų | 81.8 | 26% | 0.255 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.3 | 172.2 | -103.6 | 0 | 0 | 0 | 112.5 | V239 Q240 R414 R415 R416 K422 | V239-Y418 HydrophobicContact CG2-CD1 4.3Å; V239-Y418 HydrophobicContact CG2-CD2 4.39Å; V239-Y418 HydrophobicContact CG2-CG 4.18Å; Q240-Y418 HydrophobicContact CG-CE1 3.9Å; Q240-Y418 PolarHBondContact NE2-OH 3.14Å; Q240-Y418 VanDerWaalsContact NE2-OH 3.08Å; R414-Y418 WeakPolarHBondContact O-CB 3.47Å; R414-Y418 PolarHBondContact O-N 3.05Å; R415-Y418 PolarHBondContact O-N 3.09Å; R416-Y418 PolarHBondContact O-N 2.88Å; Y418-K422 HydrophobicContact CE1-CD 4.35Å; Y418-K422 WeakPolarHBondContact O-CB 3.43Å; Y418-K422 PolarHBondContact O-N 3.49Å |
| 419 | L | 82.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 84.9 Ų | 84.9 | 11% | 0.105 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 179.3 | -75.6 | 167.5 | 0 | 0 | 0 | 112.5 | N243 I246 R415 R416 A417 K422 L423 | N243-L419 HydrophobicContact CB-CD2 4.08Å; I246-L419 HydrophobicContact CB-CD1 4.2Å; I246-L419 HydrophobicContact CD1-CD1 3.59Å; I246-L419 HydrophobicContact CG1-CD1 4.47Å; I246-L419 HydrophobicContact CG2-CD1 4.09Å; R415-L419 WeakPolarHBondContact O-CG 3.34Å; R415-L419 PolarHBondContact O-N 3.08Å; R416-L419 PolarHBondContact O-N 2.87Å; A417-L419 PolarHBondContact O-N 2.88Å; L419-K422 PolarHBondContact O-N 2.94Å; L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.48Å |
| 420 | T | 83.4 | Confident | 86.3 | Confident | 63 Ų | 63 | 84.2 Ų | 84.2 | 39% | 0.387 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.1 | -48.3 | 175.7 | -55.8 | 0 | 0 | 0 | 0 | 110.6 | R416 A417 K422 L423 E424 | R416-T420 PolarHBondContact O-N 3.4Å; R416-T420 PolarHBondContact O-OG1 3.39Å; A417-T420 PolarHBondContact O-N 3.18Å; T420-K422 VanDerWaalsContact C-N 3.35Å; T420-K422 PolarHBondContact O-N 3.46Å; T420-L423 PolarHBondContact O-N 2.9Å; T420-E424 WeakPolarHBondContact O-CG 3.48Å; T420-E424 PolarHBondContact O-N 2.83Å |
| 421 | K | 87.4 | Confident | 86 | Confident | 129 Ų | 129 | 84.6 Ų | 84.6 | 56% | 0.561 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -58.3 | -45.7 | 176.6 | -174.5 | 179.4 | 178.5 | -179.3 | 0 | 112.1 | A417 L423 E424 E425 | A417-K421 WeakPolarHBondContact O-CB 3.15Å; A417-K421 PolarHBondContact O-N 2.63Å; K421-L423 VanDerWaalsContact C-N 3.31Å; K421-L423 PolarHBondContact O-N 3.49Å; K421-E424 PolarHBondContact O-N 3.27Å; K421-E425 WeakPolarHBondContact CE-OE1 3.42Å; K421-E425 WeakPolarHBondContact O-CG 3.15Å; K421-E425 PolarHBondContact O-N 2.81Å |
| 422 | K | 85.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 40% | 0.4 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 178.5 | -174.1 | 171.8 | -177.3 | 171.2 | 0 | 112.5 | Y418 L419 T420 K426 | Y418-K422 HydrophobicContact CE1-CD 4.35Å; Y418-K422 WeakPolarHBondContact O-CB 3.43Å; Y418-K422 PolarHBondContact O-N 3.49Å; L419-K422 PolarHBondContact O-N 2.94Å; T420-K422 VanDerWaalsContact C-N 3.35Å; T420-K422 PolarHBondContact O-N 3.46Å; K422-K426 PolarHBondContact O-N 2.94Å |
| 423 | L | 82.6 | Confident | 85.3 | Confident | 60 Ų | 60 | 99.2 Ų | 99.2 | 31% | 0.314 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 176.8 | -174.1 | 65 | 0 | 0 | 0 | 111.3 | L419 T420 K421 E425 K426 Q427 | L419-L423 WeakPolarHBondContact O-CB 3.45Å; L419-L423 PolarHBondContact O-N 3.48Å; T420-L423 PolarHBondContact O-N 2.9Å; K421-L423 VanDerWaalsContact C-N 3.31Å; K421-L423 PolarHBondContact O-N 3.49Å; L423-E425 PolarHBondContact O-N 3.13Å; L423-K426 PolarHBondContact O-N 3.29Å; L423-Q427 WeakPolarHBondContact O-CG 3.3Å; L423-Q427 PolarHBondContact O-N 3.48Å |
| 424 | E | 84.6 | Confident | 84.9 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 175 | -70.6 | -179.2 | 174.8 | 0 | 0 | 112.3 | T420 K421 Q427 K428 | T420-E424 WeakPolarHBondContact O-CG 3.48Å; T420-E424 PolarHBondContact O-N 2.83Å; K421-E424 PolarHBondContact O-N 3.27Å; E424-Q427 PolarHBondContact O-N 3.27Å; E424-K428 WeakPolarHBondContact O-CG 3.3Å; E424-K428 PolarHBondContact O-N 2.95Å |
| 425 | E | 87.3 | Confident | 84.4 | Confident | 101 Ų | 101 | 94 Ų | 94 | 47% | 0.472 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 174.8 | -73.8 | 172.3 | -175.1 | 0 | 0 | 111.5 | K421 L423 Q427 K428 M429 | K421-E425 WeakPolarHBondContact CE-OE1 3.42Å; K421-E425 WeakPolarHBondContact O-CG 3.15Å; K421-E425 PolarHBondContact O-N 2.81Å; L423-E425 PolarHBondContact O-N 3.13Å; E425-Q427 VanDerWaalsContact C-N 3.35Å; E425-Q427 PolarHBondContact O-N 2.97Å; E425-K428 PolarHBondContact O-N 2.8Å; E425-M429 VanDerWaalsContact O-CG 3.3Å; E425-M429 WeakPolarHBondContact O-CG 3.06Å; E425-M429 PolarHBondContact O-N 2.93Å |
| 426 | K | 83.6 | Confident | 83.8 | Confident | 84 Ų | 84 | 101.8 Ų | 101.8 | 37% | 0.365 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 174.6 | -83.3 | -171.6 | 170.2 | -166.6 | 0 | 112 | E251 K422 L423 M429 R430 | E251-K426 IonicContact OE1-NZ 2.73Å; K422-K426 PolarHBondContact O-N 2.94Å; L423-K426 PolarHBondContact O-N 3.29Å; K426-M429 PolarHBondContact O-N 2.97Å; K426-R430 WeakPolarHBondContact O-CG 3.37Å; K426-R430 PolarHBondContact O-N 2.83Å |
| 427 | Q | 82.4 | Confident | 83.3 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 42% | 0.416 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 178.6 | -74.6 | -179.9 | -12.9 | 0 | 0 | 112.1 | L423 E424 E425 M429 R430 K431 | L423-Q427 WeakPolarHBondContact O-CG 3.3Å; L423-Q427 PolarHBondContact O-N 3.48Å; E424-Q427 PolarHBondContact O-N 3.27Å; E425-Q427 VanDerWaalsContact C-N 3.35Å; E425-Q427 PolarHBondContact O-N 2.97Å; Q427-M429 VanDerWaalsContact C-N 3.3Å; Q427-M429 PolarHBondContact O-N 3.18Å; Q427-R430 PolarHBondContact O-N 2.97Å; Q427-K431 WeakPolarHBondContact O-CG 3.31Å; Q427-K431 PolarHBondContact O-N 3.41Å |
| 428 | K | 86.7 | Confident | 82.6 | Confident | 135 Ų | 135 | 101.5 Ų | 101.5 | 59% | 0.587 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.6 | -43.3 | 174.4 | -73.8 | 173.2 | -178.3 | 173.7 | 0 | 111.2 | E424 E425 K431 K432 | E424-K428 WeakPolarHBondContact O-CG 3.3Å; E424-K428 PolarHBondContact O-N 2.95Å; E425-K428 PolarHBondContact O-N 2.8Å; K428-K431 PolarHBondContact O-N 3.49Å; K428-K432 WeakPolarHBondContact O-CG 3.41Å; K428-K432 PolarHBondContact O-N 3.13Å |
| 429 | M | 85.3 | Confident | 81.4 | Confident | 104 Ų | 104 | 105.2 Ų | 105.2 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 177.4 | -68.8 | -58.9 | -72.4 | 0 | 0 | 112.7 | E425 K426 Q427 K432 R433 | E425-M429 VanDerWaalsContact O-CG 3.3Å; E425-M429 WeakPolarHBondContact O-CG 3.06Å; E425-M429 PolarHBondContact O-N 2.93Å; K426-M429 PolarHBondContact O-N 2.97Å; Q427-M429 VanDerWaalsContact C-N 3.3Å; Q427-M429 PolarHBondContact O-N 3.18Å; M429-K432 PolarHBondContact O-N 3.45Å; M429-R433 WeakPolarHBondContact O-CG 3.39Å; M429-R433 PolarHBondContact O-N 3.21Å; M429-R433 VanDerWaalsContact O-N 3.08Å |
| 430 | R | 83.5 | Confident | 80 | Confident | 118 Ų | 118 | 112.5 Ų | 112.5 | 45% | 0.445 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.6 | -49.4 | 173.5 | -76.6 | -176.5 | 179.2 | -176.4 | 1.2 | 111.4 | E251 K426 Q427 K432 R433 T434 | E251-R430 IonicContact OE1-NH2 3.86Å; K426-R430 WeakPolarHBondContact O-CG 3.37Å; K426-R430 PolarHBondContact O-N 2.83Å; Q427-R430 PolarHBondContact O-N 2.97Å; R430-K432 VanDerWaalsContact C-N 3.31Å; R430-K432 PolarHBondContact O-N 2.82Å; R430-R433 WeakPolarHBondContact O-CB 3.43Å; R430-R433 PolarHBondContact O-N 3.48Å; R430-T434 PolarHBondContact O-N 3.3Å; R430-T434 PolarHBondContact O-OG1 3.06Å |
| 431 | K | 83.9 | Confident | 79.8 | Confident | 155 Ų | 155 | 115 Ų | 115 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -57.8 | -40.6 | 177.2 | -72 | -176 | 178.9 | -171.4 | 0 | 112.8 | Q427 K428 T434 A435 | Q427-K431 WeakPolarHBondContact O-CG 3.31Å; Q427-K431 PolarHBondContact O-N 3.41Å; K428-K431 PolarHBondContact O-N 3.49Å; K431-T434 WeakPolarHBondContact CA-OG1 3.24Å; K431-T434 PolarHBondContact O-OG1 2.62Å; K431-A435 WeakPolarHBondContact O-CB 3.42Å; K431-A435 PolarHBondContact O-N 2.92Å |
| 432 | K | 84.4 | Confident | 79.4 | Confident | 149 Ų | 149 | 114.3 Ų | 114.3 | 65% | 0.648 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.2 | -38.7 | 174.8 | -74.8 | -178.6 | 178.7 | -173.7 | 0 | 112.5 | K428 M429 R430 K436 | K428-K432 WeakPolarHBondContact O-CG 3.41Å; K428-K432 PolarHBondContact O-N 3.13Å; M429-K432 PolarHBondContact O-N 3.45Å; R430-K432 VanDerWaalsContact C-N 3.31Å; R430-K432 PolarHBondContact O-N 2.82Å; K432-K436 WeakPolarHBondContact O-CB 3.14Å; K432-K436 PolarHBondContact O-N 2.99Å; K432-K436 VanDerWaalsContact O-N 3.09Å |
| 433 | R | 81.4 | Confident | 79.1 | Confident | 189 Ų | 189 | 115.5 Ų | 115.5 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -68.9 | -43.7 | 177.8 | -74.9 | 179.3 | 178.3 | -174.3 | -1.3 | 112.2 | M429 R430 K436 A437 | M429-R433 WeakPolarHBondContact O-CG 3.39Å; M429-R433 PolarHBondContact O-N 3.21Å; M429-R433 VanDerWaalsContact O-N 3.08Å; R430-R433 WeakPolarHBondContact O-CB 3.43Å; R430-R433 PolarHBondContact O-N 3.48Å; R433-K436 PolarHBondContact O-N 3.12Å; R433-A437 WeakPolarHBondContact O-CB 3.41Å; R433-A437 PolarHBondContact O-N 3.24Å |
| 434 | T | 80.4 | Confident | 78.9 | Confident | 84 Ų | 84 | 118.8 Ų | 118.8 | 52% | 0.515 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.3 | -42 | 175.3 | 30.6 | 0 | 0 | 0 | 0 | 112 | R430 K431 K436 A437 I438 | R430-T434 PolarHBondContact O-N 3.3Å; R430-T434 PolarHBondContact O-OG1 3.06Å; K431-T434 WeakPolarHBondContact CA-OG1 3.24Å; K431-T434 PolarHBondContact O-OG1 2.62Å; T434-K436 VanDerWaalsContact C-N 3.27Å; T434-K436 PolarHBondContact O-N 3.18Å; T434-A437 PolarHBondContact O-N 3.11Å; T434-A437 VanDerWaalsContact O-N 3.12Å; T434-I438 VanDerWaalsContact O-CG1 3.3Å; T434-I438 WeakPolarHBondContact O-CG1 3.36Å; T434-I438 PolarHBondContact O-N 2.87Å |
| 435 | A | 79.4 | Confident | 78.5 | Confident | 51 Ų | 51 | 121.3 Ų | 121.3 | 42% | 0.421 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60.2 | -36.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K431 N439 | K431-A435 WeakPolarHBondContact O-CB 3.42Å; K431-A435 PolarHBondContact O-N 2.92Å; A435-N439 PolarHBondContact O-N 3.38Å |
| 436 | K | 76.1 | Confident | 77.9 | Confident | 165 Ų | 165 | 122.7 Ų | 122.7 | 72% | 0.717 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.5 | -29.2 | 176.1 | -161.2 | 176 | -176.3 | -177.6 | 0 | 113 | K432 R433 T434 V440 | K432-K436 WeakPolarHBondContact O-CB 3.14Å; K432-K436 PolarHBondContact O-N 2.99Å; K432-K436 VanDerWaalsContact O-N 3.09Å; R433-K436 PolarHBondContact O-N 3.12Å; T434-K436 VanDerWaalsContact C-N 3.27Å; T434-K436 PolarHBondContact O-N 3.18Å; K436-V440 WeakPolarHBondContact O-CG2 3.42Å |
| 437 | A | 73.6 | Confident | 77.5 | Confident | 68 Ų | 68 | 125.4 Ų | 125.4 | 56% | 0.562 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -81.2 | -20.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | R433 T434 | R433-A437 WeakPolarHBondContact O-CB 3.41Å; R433-A437 PolarHBondContact O-N 3.24Å; T434-A437 PolarHBondContact O-N 3.11Å; T434-A437 VanDerWaalsContact O-N 3.12Å |
| 438 | I | 72.9 | Confident | 77.1 | Confident | 132 Ų | 132 | 128.2 Ų | 128.2 | 68% | 0.677 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -84.2 | -22.2 | 174.9 | -65 | 163.1 | 0 | 0 | 0 | 111.4 | T434 | T434-I438 VanDerWaalsContact O-CG1 3.3Å; T434-I438 WeakPolarHBondContact O-CG1 3.36Å; T434-I438 PolarHBondContact O-N 2.87Å |
| 439 | N | 62.3 | Low | 76.3 | Confident | 143 Ų | 143 | 127.7 Ų | 127.7 | 77% | 0.765 | 64% | 0.642 | S | S | * | * | trans | -94.4 | 13.2 | 179.4 | -70.9 | -8 | 0 | 0 | 0 | 113.6 | A435 | A435-N439 PolarHBondContact O-N 3.38Š| ||
| 440 | V | 52.6 | Low | 75.5 | Confident | 174 Ų | 174 | 129.8 Ų | 129.8 | 100% | 1.055 | 65% | 0.654 | S | S | * | * | trans | -119.8 | 0 | 170 | 176.8 | 0 | 0 | 0 | 0 | 106.3 | K436 | K436-V440 WeakPolarHBondContact O-CG2 3.42Š|
Retrieved 440 of 440 residues in 155.6 ms
(Link to these results)