| 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 | 50.3 | Low | 63.7 | Low | 150 Ų | 150 | 68.5 Ų | 68.5 | 74% | 0.739 | 35% | 0.353 | S | S | * | . | 0 | 0 | 0 | -124.9 | -169.5 | 174.7 | 0 | 0 | 110.2 | T6 Y9 | M1-T6 WeakPolarHBondContact CB-OG1 3.05Å; M1-T6 PolarHBondContact O-OG1 3.31Å; M1-Y9 HydrophobicContact CE-CD1 4.48Å; M1-Y9 HydrophobicContact CE-CD2 3.1Å; M1-Y9 HydrophobicContact CE-CE1 4.48Å; M1-Y9 HydrophobicContact CE-CE2 3.1Å; M1-Y9 HydrophobicContact CE-CG 3.86Å; M1-Y9 HydrophobicContact SD-CD2 4.32Å | |||
| 2 | L | 57.3 | Low | 64.5 | Low | 86 Ų | 86 | 66.8 Ų | 66.8 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | 0 | 122.5 | 0 | -80.3 | 141.5 | 0 | 0 | 0 | 111.2 | S4 L5 T6 N64 | L2-S4 PolarHBondContact O-N 2.05Å; L2-L5 HydrophobicContact CB-CB 4.5Å; L2-L5 HydrophobicContact CB-CD1 3.95Å; L2-L5 HydrophobicContact CD1-CD1 3.82Å; L2-L5 PolarHBondContact O-N 3.22Å; L2-T6 PolarHBondContact O-N 3.15Å; L2-T6 VanDerWaalsContact O-N 3.13Å; L2-T6 PolarHBondContact O-OG1 3.49Å; L2-N64 WeakPolarHBondContact CD1-OD1 3.36Å | |||
| 3 | P | 62 | Low | 65.5 | Low | 110 Ų | 110 | 68.6 Ų | 68.6 | 71% | 0.714 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -38.6 | -31 | -178.8 | -21.8 | 25.1 | 0 | 0 | 0 | 111.6 | K7 | P3-K7 WeakPolarHBondContact O-CB 2.65Å; P3-K7 PolarHBondContact O-N 3.02Å; P3-K7 VanDerWaalsContact O-N 3.17Å |
| 4 | S | 56.5 | Low | 66.6 | Low | 20 Ų | 20 | 70.4 Ų | 70.4 | 14% | 0.14 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -78.4 | -30.2 | -178 | 52.9 | 0 | 0 | 0 | 0 | 111.5 | L2 L8 | L2-S4 PolarHBondContact O-N 2.05Å; S4-L8 WeakPolarHBondContact O-CB 2.78Å; S4-L8 PolarHBondContact O-N 3.14Å |
| 5 | L | 53.8 | Low | 67.7 | Low | 6 Ų | 6 | 66.7 Ų | 66.7 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -83.2 | -33.5 | 178.4 | -82.2 | 156.3 | 0 | 0 | 0 | 110.8 | L2 K7 L8 Y9 N64 I70 | L2-L5 HydrophobicContact CB-CB 4.5Å; L2-L5 HydrophobicContact CB-CD1 3.95Å; L2-L5 HydrophobicContact CD1-CD1 3.82Å; L2-L5 PolarHBondContact O-N 3.22Å; L5-K7 PolarHBondContact O-N 3.14Å; L5-L8 PolarHBondContact O-N 1.05Å; L5-Y9 WeakPolarHBondContact O-CB 1.82Å; L5-Y9 WeakPolarHBondContact O-CD2 3.05Å; L5-Y9 PolarHBondContact O-N 3.48Å; L5-N64 HydrophobicContact CD1-CB 3.77Å; L5-N64 HydrophobicContact CD2-CB 4.29Å; L5-N64 HydrophobicContact CG-CB 4.03Å; L5-I70 HydrophobicContact CD1-CD1 3.89Å; L5-I70 HydrophobicContact CD2-CD1 3.65Å; L5-I70 HydrophobicContact CG-CD1 4.41Å |
| 6 | T | 66.4 | Low | 68.8 | Low | 65 Ų | 65 | 65.4 Ų | 65.4 | 40% | 0.399 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 174.5 | -53 | 0 | 0 | 0 | 0 | 110.2 | M1 L2 L8 Y9 H10 | M1-T6 WeakPolarHBondContact CB-OG1 3.05Å; M1-T6 PolarHBondContact O-OG1 3.31Å; L2-T6 PolarHBondContact O-N 3.15Å; L2-T6 VanDerWaalsContact O-N 3.13Å; L2-T6 PolarHBondContact O-OG1 3.49Å; T6-L8 VanDerWaalsContact C-N 3.32Å; T6-Y9 PolarHBondContact O-N 1.56Å; T6-H10 VanDerWaalsContact O-CB 3.28Å; T6-H10 WeakPolarHBondContact O-CB 2.82Å; T6-H10 PolarHBondContact O-N 2.44Å |
| 7 | K | 69.8 | Low | 69 | Low | 117 Ų | 117 | 68.2 Ų | 68.2 | 51% | 0.509 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.7 | -38.2 | 177.8 | -165.5 | 172.3 | 179.7 | 180 | 0 | 111.3 | P3 L5 Y9 H10 V11 | P3-K7 WeakPolarHBondContact O-CB 2.65Å; P3-K7 PolarHBondContact O-N 3.02Å; P3-K7 VanDerWaalsContact O-N 3.17Å; L5-K7 PolarHBondContact O-N 3.14Å; K7-Y9 VanDerWaalsContact C-N 3.32Å; K7-H10 PolarHBondContact O-N 3.45Å; K7-V11 HydrophobicContact CG-CG2 4.39Å; K7-V11 WeakPolarHBondContact O-CB 3.44Å; K7-V11 WeakPolarHBondContact O-CG2 3.21Å; K7-V11 PolarHBondContact O-N 2.95Å |
| 8 | L | 65.8 | Low | 69.7 | Low | 20 Ų | 20 | 68.6 Ų | 68.6 | 11% | 0.105 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | 177.1 | -179.1 | 67.7 | 0 | 0 | 0 | 110.9 | S4 L5 T6 H10 V11 T12 C56 L57 V60 | S4-L8 WeakPolarHBondContact O-CB 2.78Å; S4-L8 PolarHBondContact O-N 3.14Å; L5-L8 PolarHBondContact O-N 1.05Å; T6-L8 VanDerWaalsContact C-N 3.32Å; L8-H10 PolarHBondContact O-N 2.83Å; L8-V11 PolarHBondContact O-N 3.29Å; L8-T12 HydrophobicContact CD1-CG2 3.78Å; L8-T12 HydrophobicContact CG-CG2 4.03Å; L8-T12 VanDerWaalsContact O-CB 3.26Å; L8-T12 WeakPolarHBondContact O-CB 3.19Å; L8-T12 WeakPolarHBondContact O-CG2 2.73Å; L8-T12 PolarHBondContact O-N 3.34Å; L8-T12 PolarHBondContact O-OG1 3.4Å; L8-C56 HydrophobicContact CD1-CB 3.9Å; L8-L57 HydrophobicContact CD1-CD2 3.78Å; L8-L57 HydrophobicContact CD1-CG 4.24Å; L8-V60 HydrophobicContact CB-CG2 4.21Å; L8-V60 HydrophobicContact CD1-CG2 4.25Å; L8-V60 HydrophobicContact CD2-CG1 4.46Å; L8-V60 HydrophobicContact CD2-CG2 3.54Å; L8-V60 HydrophobicContact CG-CG2 4.22Å |
| 9 | Y | 67.6 | Low | 70.5 | Confident | 65 Ų | 65 | 66.2 Ų | 66.2 | 26% | 0.255 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 179.5 | -94.2 | -78.6 | 0 | 0 | 0 | 110.2 | M1 L5 T6 K7 V11 T12 S13 I70 T71 | M1-Y9 HydrophobicContact CE-CD1 4.48Å; M1-Y9 HydrophobicContact CE-CD2 3.1Å; M1-Y9 HydrophobicContact CE-CE1 4.48Å; M1-Y9 HydrophobicContact CE-CE2 3.1Å; M1-Y9 HydrophobicContact CE-CG 3.86Å; M1-Y9 HydrophobicContact SD-CD2 4.32Å; L5-Y9 WeakPolarHBondContact O-CB 1.82Å; L5-Y9 WeakPolarHBondContact O-CD2 3.05Å; L5-Y9 PolarHBondContact O-N 3.48Å; T6-Y9 PolarHBondContact O-N 1.56Å; K7-Y9 VanDerWaalsContact C-N 3.32Å; Y9-V11 VanDerWaalsContact C-N 3.27Å; Y9-V11 PolarHBondContact O-N 2.5Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.39Å; Y9-T12 PolarHBondContact O-OG1 3.23Å; Y9-S13 WeakPolarHBondContact O-CB 3.29Å; Y9-S13 PolarHBondContact O-N 3.14Å; Y9-S13 PolarHBondContact O-OG 2.92Å; Y9-I70 HydrophobicContact CE2-CG2 3.84Å; Y9-I70 WeakPolarHBondContact OH-CG2 3.46Å; Y9-T71 PolarHBondContact OH-O 3.18Å |
| 10 | H | 75.6 | Confident | 71 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 52% | 0.519 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.6 | -40.6 | 179 | -175.1 | -81.2 | 0 | 0 | 0 | 111.2 | T6 K7 L8 S13 E14 | T6-H10 VanDerWaalsContact O-CB 3.28Å; T6-H10 WeakPolarHBondContact O-CB 2.82Å; T6-H10 PolarHBondContact O-N 2.44Å; K7-H10 PolarHBondContact O-N 3.45Å; L8-H10 PolarHBondContact O-N 2.83Å; H10-S13 PolarHBondContact O-OG 3.24Å; H10-E14 IonicContact CE1-OE1 3.63Å |
| 11 | V | 75.7 | Confident | 71.1 | Confident | 3 Ų | 3 | 64.6 Ų | 64.6 | 2% | 0.018 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -75 | -39 | -176.6 | 171.5 | 0 | 0 | 0 | 0 | 109.6 | K7 L8 Y9 S13 E14 E52 L53 C56 | K7-V11 HydrophobicContact CG-CG2 4.39Å; K7-V11 WeakPolarHBondContact O-CB 3.44Å; K7-V11 WeakPolarHBondContact O-CG2 3.21Å; K7-V11 PolarHBondContact O-N 2.95Å; L8-V11 PolarHBondContact O-N 3.29Å; Y9-V11 VanDerWaalsContact C-N 3.27Å; Y9-V11 PolarHBondContact O-N 2.5Å; V11-S13 VanDerWaalsContact C-N 3.28Å; V11-S13 PolarHBondContact O-N 3.15Å; V11-E14 PolarHBondContact O-N 3Å; V11-E52 HydrophobicContact CG2-CG 4.04Å; V11-L53 HydrophobicContact CG1-CB 3.98Å; V11-L53 HydrophobicContact CG1-CD1 3.71Å; V11-C56 WeakPolarHBondContact CG2-SG 3.43Å |
| 12 | T | 72.6 | Confident | 72.6 | Confident | 48 Ų | 48 | 61.4 Ų | 61.4 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -76 | 0 | -175.8 | 50.6 | 0 | 0 | 0 | 0 | 109.7 | L8 Y9 E14 W15 L53 | L8-T12 HydrophobicContact CD1-CG2 3.78Å; L8-T12 HydrophobicContact CG-CG2 4.03Å; L8-T12 VanDerWaalsContact O-CB 3.26Å; L8-T12 WeakPolarHBondContact O-CB 3.19Å; L8-T12 WeakPolarHBondContact O-CG2 2.73Å; L8-T12 PolarHBondContact O-N 3.34Å; L8-T12 PolarHBondContact O-OG1 3.4Å; Y9-T12 WeakPolarHBondContact CA-OG1 3.39Å; Y9-T12 PolarHBondContact O-OG1 3.23Å; T12-E14 PolarHBondContact O-N 3.39Å; T12-W15 PolarHBondContact O-N 3.4Å; T12-L53 HydrophobicContact CG2-CD1 3.92Å |
| 13 | S | 77.5 | Confident | 73.7 | Confident | 90 Ų | 90 | 57.3 Ų | 57.3 | 63% | 0.629 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -15.9 | 0 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | Y9 H10 V11 W15 | Y9-S13 WeakPolarHBondContact O-CB 3.29Å; Y9-S13 PolarHBondContact O-N 3.14Å; Y9-S13 PolarHBondContact O-OG 2.92Å; H10-S13 PolarHBondContact O-OG 3.24Å; V11-S13 VanDerWaalsContact C-N 3.28Å; V11-S13 PolarHBondContact O-N 3.15Å; S13-W15 VanDerWaalsContact C-N 3.26Å | |
| 14 | E | 81.6 | Confident | 74.2 | Confident | 93 Ų | 93 | 52.8 Ų | 52.8 | 44% | 0.435 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 0.9 | -179.4 | -65.8 | -172.2 | 171.6 | 0 | 0 | 110.9 | H10 V11 T12 K45 | H10-E14 IonicContact CE1-OE1 3.63Å; V11-E14 PolarHBondContact O-N 3Å; T12-E14 PolarHBondContact O-N 3.39Å; E14-K45 WeakPolarHBondContact O-CE 2.43Å; E14-K45 PolarHBondContact O-NZ 3.29Å |
| 15 | W | 83.5 | Confident | 75.1 | Confident | 16 Ų | 16 | 55.3 Ų | 55.3 | 6% | 0.061 | 31% | 0.308 | C | S | . | . | trans | -109.1 | 125.7 | -179 | -75.5 | 69.5 | 0 | 0 | 0 | 109.4 | T12 S13 E19 L20 L23 I42 K45 I50 L53 | T12-W15 PolarHBondContact O-N 3.4Å; S13-W15 VanDerWaalsContact C-N 3.26Å; W15-E19 WeakPolarHBondContact CA-OE2 2.94Å; W15-E19 HydrophobicContact CE3-CB 3.86Å; W15-E19 HydrophobicContact CZ3-CB 4.41Å; W15-L20 HydrophobicContact CB-CD1 4.4Å; W15-L20 HydrophobicContact CB-CD2 4.02Å; W15-L20 HydrophobicContact CB-CG 3.96Å; W15-L20 HydrophobicContact CD2-CD2 4.06Å; W15-L20 HydrophobicContact CE3-CD2 3.63Å; W15-L20 HydrophobicContact CE3-CG 4.19Å; W15-L20 HydrophobicContact CG-CD2 4.27Å; W15-L20 HydrophobicContact CZ3-CD2 4.4Å; W15-L23 HydrophobicContact CH2-CD2 4.13Å; W15-L23 HydrophobicContact CZ3-CB 4.31Å; W15-L23 HydrophobicContact CZ3-CD2 3.94Å; W15-I42 HydrophobicContact CH2-CD1 4.49Å; W15-I42 HydrophobicContact CZ3-CD1 4.11Å; W15-K45 HydrophobicContact CD2-CD 4.49Å; W15-K45 HydrophobicContact CE3-CG 4.49Å; W15-K45 HydrophobicContact CH2-CB 4.39Å; W15-K45 HydrophobicContact CH2-CG 3.97Å; W15-K45 HydrophobicContact CZ2-CD 4.15Å; W15-K45 HydrophobicContact CZ2-CG 4.1Å; W15-K45 HydrophobicContact CZ3-CG 4.15Å; W15-I50 HydrophobicContact CH2-CG1 4.02Å; W15-I50 HydrophobicContact CZ2-CG1 4.46Å; W15-L53 HydrophobicContact CD2-CD2 3.64Å; W15-L53 HydrophobicContact CE3-CD2 3.8Å; W15-L53 HydrophobicContact CG-CD2 4.41Å; W15-L53 HydrophobicContact CH2-CB 4.46Å; W15-L53 HydrophobicContact CH2-CD2 3.44Å; W15-L53 VanDerWaalsContact CH2-CD2 3.44Å; W15-L53 HydrophobicContact CZ2-CB 3.67Å; W15-L53 HydrophobicContact CZ2-CD2 3.31Å; W15-L53 HydrophobicContact CZ2-CG 4.08Å; W15-L53 HydrophobicContact CZ3-CD2 3.7Å | ||
| 16 | S | 84.7 | Confident | 76.1 | Confident | 46 Ų | 46 | 55.1 Ų | 55.1 | 32% | 0.322 | 31% | 0.307 | S | S | . | . | trans | -77.2 | 156.2 | 172.9 | 69 | 0 | 0 | 0 | 0 | 111.6 | S18 E19 L20 | S16-S18 PolarHBondContact O-N 2.88Å; S16-S18 PolarHBondContact OG-OG 3.39Å; S16-E19 PolarHBondContact N-OE2 2.91Å; S16-E19 WeakPolarHBondContact O-CB 3.18Å; S16-E19 PolarHBondContact O-N 2.8Å; S16-E19 WeakPolarHBondContact OG-CB 3.27Å; S16-E19 VanDerWaalsContact OG-CD 3.24Å; S16-E19 WeakPolarHBondContact OG-CG 3.14Å; S16-E19 PolarHBondContact OG-N 3.49Å; S16-E19 VanDerWaalsContact OG-N 3.12Å; S16-E19 PolarHBondContact OG-OE2 3.41Å; S16-L20 PolarHBondContact O-N 3.19Å; S16-L20 VanDerWaalsContact O-N 3.08Å | ||
| 17 | D | 72.7 | Confident | 76 | Confident | 112 Ų | 112 | 52 Ų | 52 | 60% | 0.599 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.5 | -37.2 | 177.6 | -74.9 | -15.3 | 0 | 0 | 0 | 111 | E19 L20 S21 | D17-E19 PolarHBondContact O-N 2.93Å; D17-L20 PolarHBondContact O-N 3.26Å; D17-S21 WeakPolarHBondContact O-CB 3.39Å; D17-S21 PolarHBondContact O-N 3.47Å; D17-S21 PolarHBondContact O-OG 3.48Å |
| 18 | S | 80.3 | Confident | 75.6 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 52% | 0.524 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.9 | -34.7 | 178.7 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | S16 S21 L22 | S16-S18 PolarHBondContact O-N 2.88Å; S16-S18 PolarHBondContact OG-OG 3.39Å; S18-S21 PolarHBondContact O-N 3.34Å; S18-L22 VanDerWaalsContact O-CG 3.3Å; S18-L22 WeakPolarHBondContact O-CG 3.45Å; S18-L22 PolarHBondContact O-N 3.12Å |
| 19 | E | 86.2 | Confident | 75.7 | Confident | 24 Ų | 24 | 60 Ų | 60 | 11% | 0.112 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71.3 | -41.4 | 179.6 | -71.6 | 169.7 | 161.8 | 0 | 0 | 110.8 | W15 S16 D17 S21 L22 L23 I42 T44 K45 | W15-E19 WeakPolarHBondContact CA-OE2 2.94Å; W15-E19 HydrophobicContact CE3-CB 3.86Å; W15-E19 HydrophobicContact CZ3-CB 4.41Å; S16-E19 PolarHBondContact N-OE2 2.91Å; S16-E19 WeakPolarHBondContact O-CB 3.18Å; S16-E19 PolarHBondContact O-N 2.8Å; S16-E19 WeakPolarHBondContact OG-CB 3.27Å; S16-E19 VanDerWaalsContact OG-CD 3.24Å; S16-E19 WeakPolarHBondContact OG-CG 3.14Å; S16-E19 PolarHBondContact OG-N 3.49Å; S16-E19 VanDerWaalsContact OG-N 3.12Å; S16-E19 PolarHBondContact OG-OE2 3.41Å; D17-E19 PolarHBondContact O-N 2.93Å; E19-S21 PolarHBondContact O-N 3.05Å; E19-L22 PolarHBondContact O-N 2.74Å; E19-L23 PolarHBondContact O-N 3.13Å; E19-I42 HydrophobicContact CB-CG2 4.37Å; E19-I42 HydrophobicContact CG-CG2 4.31Å; E19-T44 WeakPolarHBondContact CG-OG1 3.43Å; E19-T44 WeakPolarHBondContact OE1-CB 3.48Å; E19-T44 PolarHBondContact OE1-OG1 3.36Å; E19-K45 WeakPolarHBondContact OE2-CE 3.01Å; E19-K45 IonicContact OE2-NZ 3.9Å |
| 20 | L | 79.4 | Confident | 75.2 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.3 | -33.1 | 179.9 | -72.4 | 173.6 | 0 | 0 | 0 | 110.8 | W15 S16 D17 L22 L23 L24 L53 I83 | W15-L20 HydrophobicContact CB-CD1 4.4Å; W15-L20 HydrophobicContact CB-CD2 4.02Å; W15-L20 HydrophobicContact CB-CG 3.96Å; W15-L20 HydrophobicContact CD2-CD2 4.06Å; W15-L20 HydrophobicContact CE3-CD2 3.63Å; W15-L20 HydrophobicContact CE3-CG 4.19Å; W15-L20 HydrophobicContact CG-CD2 4.27Å; W15-L20 HydrophobicContact CZ3-CD2 4.4Å; S16-L20 PolarHBondContact O-N 3.19Å; S16-L20 VanDerWaalsContact O-N 3.08Å; D17-L20 PolarHBondContact O-N 3.26Å; L20-L22 VanDerWaalsContact C-N 3.27Å; L20-L22 PolarHBondContact O-N 2.68Å; L20-L23 PolarHBondContact O-N 3.44Å; L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 PolarHBondContact O-N 3.4Å; L20-L53 HydrophobicContact CD2-CD2 3.99Å; L20-I83 HydrophobicContact CB-CD1 3.58Å; L20-I83 HydrophobicContact CD2-CD1 4.05Å; L20-I83 HydrophobicContact CG-CD1 4.26Å |
| 21 | S | 74.5 | Confident | 74.1 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -69.8 | -38.3 | 177.9 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | D17 S18 E19 L23 L24 S25 | D17-S21 WeakPolarHBondContact O-CB 3.39Å; D17-S21 PolarHBondContact O-N 3.47Å; D17-S21 PolarHBondContact O-OG 3.48Å; S18-S21 PolarHBondContact O-N 3.34Å; E19-S21 PolarHBondContact O-N 3.05Å; S21-L23 PolarHBondContact O-N 2.95Å; S21-L24 PolarHBondContact O-N 3.25Å; S21-S25 WeakPolarHBondContact O-CB 3.41Å; S21-S25 PolarHBondContact O-N 3.43Å; S21-S25 PolarHBondContact O-OG 3.2Å |
| 22 | L | 82 | Confident | 73.2 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 43% | 0.429 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 178.8 | -78.9 | 168.7 | 0 | 0 | 0 | 110.8 | S18 E19 L20 L24 S25 A26 I42 | S18-L22 VanDerWaalsContact O-CG 3.3Å; S18-L22 WeakPolarHBondContact O-CG 3.45Å; S18-L22 PolarHBondContact O-N 3.12Å; E19-L22 PolarHBondContact O-N 2.74Å; L20-L22 VanDerWaalsContact C-N 3.27Å; L20-L22 PolarHBondContact O-N 2.68Å; L22-L24 PolarHBondContact O-N 3.47Å; L22-S25 PolarHBondContact O-N 3.41Å; L22-A26 WeakPolarHBondContact O-CB 3.37Å; L22-A26 PolarHBondContact O-N 2.76Å; L22-I42 HydrophobicContact CB-CG1 4Å |
| 23 | L | 80 | Confident | 72.8 | Confident | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 176.1 | 179.5 | 65.2 | 0 | 0 | 0 | 110.9 | W15 E19 L20 S21 S25 A26 L27 L38 I42 I50 L53 I87 | W15-L23 HydrophobicContact CH2-CD2 4.13Å; W15-L23 HydrophobicContact CZ3-CB 4.31Å; W15-L23 HydrophobicContact CZ3-CD2 3.94Å; E19-L23 PolarHBondContact O-N 3.13Å; L20-L23 PolarHBondContact O-N 3.44Å; S21-L23 PolarHBondContact O-N 2.95Å; L23-S25 PolarHBondContact O-N 3.2Å; L23-A26 PolarHBondContact O-N 2.79Å; L23-L27 HydrophobicContact CD1-CD1 4.37Å; L23-L27 HydrophobicContact CD1-CG 4.47Å; L23-L27 HydrophobicContact CG-CD1 4.07Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.93Å; L23-L38 HydrophobicContact CD1-CD1 4.33Å; L23-L38 HydrophobicContact CD1-CD2 4.33Å; L23-I42 VanDerWaalsContact CA-CD1 3.44Å; L23-I42 HydrophobicContact CB-CD1 3.35Å; L23-I42 HydrophobicContact CD1-CD1 3.53Å; L23-I42 HydrophobicContact CG-CD1 4.03Å; L23-I50 HydrophobicContact CD1-CG2 4.38Å; L23-L53 HydrophobicContact CD2-CD2 3.64Å; L23-I87 HydrophobicContact CD2-CD1 4.34Å |
| 24 | L | 72.2 | Confident | 72.7 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.084 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.6 | -41.6 | 177.8 | -175.1 | 63.6 | 0 | 0 | 0 | 111.3 | L20 S21 L22 A26 L27 K28 D82 I83 Q86 | L20-L24 WeakPolarHBondContact O-CB 3.39Å; L20-L24 PolarHBondContact O-N 3.4Å; S21-L24 PolarHBondContact O-N 3.25Å; L22-L24 PolarHBondContact O-N 3.47Å; L24-A26 PolarHBondContact O-N 2.71Å; L24-L27 PolarHBondContact O-N 2.92Å; L24-K28 HydrophobicContact CG-CD 4.37Å; L24-K28 WeakPolarHBondContact O-CB 3.46Å; L24-K28 WeakPolarHBondContact O-CG 3.47Å; L24-K28 PolarHBondContact O-N 3.15Å; L24-D82 HydrophobicContact CD1-CB 3.52Å; L24-D82 WeakPolarHBondContact CD1-O 3.3Å; L24-D82 HydrophobicContact CD2-CB 3.74Å; L24-D82 HydrophobicContact CG-CB 4.24Å; L24-I83 HydrophobicContact CB-CG1 3.93Å; L24-I83 HydrophobicContact CD1-CB 4.46Å; L24-I83 HydrophobicContact CD1-CG1 3.85Å; L24-I83 HydrophobicContact CD2-CG1 4.31Å; L24-I83 HydrophobicContact CG-CG1 4.26Å; L24-Q86 HydrophobicContact CD1-CB 4.18Å; L24-Q86 HydrophobicContact CD1-CG 3.71Å |
| 25 | S | 74.4 | Confident | 72.4 | Confident | 73 Ų | 73 | 58.7 Ų | 58.7 | 51% | 0.51 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 178.5 | -65.6 | 0 | 0 | 0 | 0 | 110.6 | S21 L22 L23 L27 K28 R29 | S21-S25 WeakPolarHBondContact O-CB 3.41Å; S21-S25 PolarHBondContact O-N 3.43Å; S21-S25 PolarHBondContact O-OG 3.2Å; L22-S25 PolarHBondContact O-N 3.41Å; L23-S25 PolarHBondContact O-N 3.2Å; S25-L27 VanDerWaalsContact C-N 3.32Å; S25-K28 PolarHBondContact O-N 3.12Å; S25-R29 WeakPolarHBondContact O-CB 2.96Å; S25-R29 PolarHBondContact O-N 3.1Å |
| 26 | A | 76.2 | Confident | 72.2 | Confident | 1 Ų | 1 | 66.7 Ų | 66.7 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.9 | -41.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | L22 L23 L24 K28 R29 D30 F33 L38 F41 | L22-A26 WeakPolarHBondContact O-CB 3.37Å; L22-A26 PolarHBondContact O-N 2.76Å; L23-A26 PolarHBondContact O-N 2.79Å; L24-A26 PolarHBondContact O-N 2.71Å; A26-K28 PolarHBondContact O-N 2.44Å; A26-R29 PolarHBondContact O-N 2.86Å; A26-D30 PolarHBondContact O-N 3.18Å; A26-D30 VanDerWaalsContact O-N 3.13Å; A26-F33 HydrophobicContact CB-CD2 4.44Å; A26-F33 WeakPolarHBondContact O-CD2 3.05Å; A26-F33 WeakPolarHBondContact O-CE2 3.46Å; A26-L38 HydrophobicContact CB-CD2 3.63Å; A26-F41 HydrophobicContact CB-CB 4.02Å; A26-F41 HydrophobicContact CB-CD1 4.23Å; A26-F41 HydrophobicContact CB-CD2 4.34Å; A26-F41 HydrophobicContact CB-CG 3.95Å |
| 27 | L | 64.8 | Low | 72 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -68.6 | -29.6 | -180 | -74.4 | 173 | 0 | 0 | 0 | 111.4 | L23 L24 S25 R29 L38 M54 Q86 I87 H90 | L23-L27 HydrophobicContact CD1-CD1 4.37Å; L23-L27 HydrophobicContact CD1-CG 4.47Å; L23-L27 HydrophobicContact CG-CD1 4.07Å; L23-L27 WeakPolarHBondContact O-CG 3.44Å; L23-L27 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 2.92Å; S25-L27 VanDerWaalsContact C-N 3.32Å; L27-R29 VanDerWaalsContact C-N 3.34Å; L27-L38 HydrophobicContact CD2-CD1 4.23Å; L27-L38 HydrophobicContact CD2-CD2 4.22Å; L27-L38 HydrophobicContact CG-CD2 4.46Å; L27-M54 HydrophobicContact CD2-CE 4.21Å; L27-Q86 HydrophobicContact CB-CB 3.66Å; L27-Q86 HydrophobicContact CB-CG 4.27Å; L27-Q86 HydrophobicContact CD1-CB 3.68Å; L27-Q86 HydrophobicContact CG-CB 4.29Å; L27-I87 HydrophobicContact CD1-CG1 3.75Å; L27-H90 HydrophobicContact CD2-CB 3.36Å; L27-H90 WeakPolarHBondContact CD2-CD2 3.21Å |
| 28 | K | 60.8 | Low | 72.3 | Confident | 119 Ų | 119 | 62.6 Ų | 62.6 | 52% | 0.517 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -75.6 | -33 | 176.9 | -78.4 | -174.7 | 177.3 | 179.7 | 0 | 110.6 | L24 S25 A26 Q86 | L24-K28 HydrophobicContact CG-CD 4.37Å; L24-K28 WeakPolarHBondContact O-CB 3.46Å; L24-K28 WeakPolarHBondContact O-CG 3.47Å; L24-K28 PolarHBondContact O-N 3.15Å; S25-K28 PolarHBondContact O-N 3.12Å; A26-K28 PolarHBondContact O-N 2.44Å; K28-Q86 HydrophobicContact CG-CG 4.28Å |
| 29 | R | 67.3 | Low | 72.6 | Confident | 184 Ų | 184 | 60 Ų | 60 | 69% | 0.694 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -71.8 | -44.5 | -176.7 | -169.8 | 176.6 | 141 | 174 | -0.9 | 110.5 | S25 A26 L27 F33 | S25-R29 WeakPolarHBondContact O-CB 2.96Å; S25-R29 PolarHBondContact O-N 3.1Å; A26-R29 PolarHBondContact O-N 2.86Å; L27-R29 VanDerWaalsContact C-N 3.34Å; R29-F33 HydrophobicContact CB-CE2 4.36Å |
| 30 | D | 58.1 | Low | 72.5 | Confident | 60 Ų | 60 | 64.8 Ų | 64.8 | 32% | 0.321 | 32% | 0.321 | S | S | . | . | trans | -156.2 | 116.6 | -176.4 | -167.4 | -15.7 | 0 | 0 | 0 | 108.8 | A26 S32 F33 | A26-D30 PolarHBondContact O-N 3.18Å; A26-D30 VanDerWaalsContact O-N 3.13Å; D30-S32 VanDerWaalsContact CG-OG 3.29Å; D30-S32 PolarHBondContact O-N 3.27Å; D30-S32 PolarHBondContact OD1-N 3.41Å; D30-S32 PolarHBondContact OD1-OG 3.13Å; D30-S32 PolarHBondContact OD2-OG 3.26Å; D30-F33 HydrophobicContact CB-CD1 4.08Å; D30-F33 HydrophobicContact CB-CD2 3.65Å; D30-F33 HydrophobicContact CB-CE1 3.74Å; D30-F33 HydrophobicContact CB-CE2 3.25Å; D30-F33 HydrophobicContact CB-CG 4.06Å; D30-F33 HydrophobicContact CB-CZ 3.29Å; D30-F33 WeakPolarHBondContact O-CD2 3.29Å; D30-F33 WeakPolarHBondContact O-CG 3.38Å; D30-F33 PolarHBondContact O-N 3.35Å | ||
| 31 | R | 52.2 | Low | 72.5 | Confident | 136 Ų | 136 | 66.4 Ų | 66.4 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -6.3 | -171.4 | -66.1 | -179.7 | -177.2 | 171.3 | 0.1 | 110.3 | F33 T93 | R31-F33 VanDerWaalsContact C-N 3.28Å; R31-T93 WeakPolarHBondContact O-CG2 2.58Å |
| 32 | S | 55.7 | Low | 73 | Confident | 82 Ų | 82 | 63.1 Ų | 63.1 | 57% | 0.573 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | 7 | -177 | 63.6 | 0 | 0 | 0 | 0 | 110.8 | D30 S34 | D30-S32 VanDerWaalsContact CG-OG 3.29Å; D30-S32 PolarHBondContact O-N 3.27Å; D30-S32 PolarHBondContact OD1-N 3.41Å; D30-S32 PolarHBondContact OD1-OG 3.13Å; D30-S32 PolarHBondContact OD2-OG 3.26Å; S32-S34 PolarHBondContact O-N 2.7Å; S32-S34 VanDerWaalsContact O-N 3.11Å |
| 33 | F | 65.6 | Low | 73.1 | Confident | 22 Ų | 22 | 67.8 Ų | 67.8 | 10% | 0.096 | 32% | 0.324 | C | S | . | . | trans | -66.1 | 120.6 | -176.8 | -81.6 | -33 | 0 | 0 | 0 | 110 | A26 R29 D30 R31 E37 L38 F41 H90 | A26-F33 HydrophobicContact CB-CD2 4.44Å; A26-F33 WeakPolarHBondContact O-CD2 3.05Å; A26-F33 WeakPolarHBondContact O-CE2 3.46Å; R29-F33 HydrophobicContact CB-CE2 4.36Å; D30-F33 HydrophobicContact CB-CD1 4.08Å; D30-F33 HydrophobicContact CB-CD2 3.65Å; D30-F33 HydrophobicContact CB-CE1 3.74Å; D30-F33 HydrophobicContact CB-CE2 3.25Å; D30-F33 HydrophobicContact CB-CG 4.06Å; D30-F33 HydrophobicContact CB-CZ 3.29Å; D30-F33 WeakPolarHBondContact O-CD2 3.29Å; D30-F33 WeakPolarHBondContact O-CG 3.38Å; D30-F33 PolarHBondContact O-N 3.35Å; R31-F33 VanDerWaalsContact C-N 3.28Å; F33-E37 VanDerWaalsContact C-OE2 3.3Å; F33-E37 WeakPolarHBondContact CA-OE2 2.42Å; F33-E37 HydrophobicContact CB-CB 3.89Å; F33-E37 HydrophobicContact CD1-CB 3.66Å; F33-E37 HydrophobicContact CD1-CG 4.22Å; F33-E37 WeakPolarHBondContact CD1-OE2 2.87Å; F33-E37 HydrophobicContact CG-CB 4.02Å; F33-L38 HydrophobicContact CB-CD2 3.78Å; F33-L38 HydrophobicContact CB-CG 3.88Å; F33-L38 HydrophobicContact CD2-CD2 4.21Å; F33-L38 HydrophobicContact CG-CD2 4.43Å; F33-F41 HydrophobicContact CD2-CE2 4.14Å; F33-F41 HydrophobicContact CE1-CE2 4.04Å; F33-F41 HydrophobicContact CE2-CD2 4.35Å; F33-F41 AromaticContact CE2-CE2 3.56Å; F33-F41 HydrophobicContact CE2-CE2 3.56Å; F33-F41 AromaticContact CE2-CZ 3.77Å; F33-F41 HydrophobicContact CE2-CZ 3.77Å; F33-F41 AromaticContact CZ-CE2 3.52Å; F33-F41 HydrophobicContact CZ-CE2 3.52Å; F33-F41 AromaticContact CZ-CZ 3.68Å; F33-F41 HydrophobicContact CZ-CZ 3.68Å; F33-H90 PolarHBondContact O-CE1 2.53Å; F33-H90 PolarHBondContact O-NE2 3.42Å | ||
| 34 | S | 74.3 | Confident | 73.4 | Confident | 53 Ų | 53 | 72.2 Ų | 72.2 | 37% | 0.371 | 35% | 0.351 | S | S | . | . | trans | -63.4 | 159.9 | 170.8 | 69 | 0 | 0 | 0 | 0 | 111.5 | S32 R36 E37 L38 | S32-S34 PolarHBondContact O-N 2.7Å; S32-S34 VanDerWaalsContact O-N 3.11Å; S34-R36 PolarHBondContact O-N 3.39Å; S34-R36 VanDerWaalsContact O-N 3.1Å; S34-R36 WeakPolarHBondContact OG-CB 3.04Å; S34-R36 PolarHBondContact OG-N 1.88Å; S34-E37 PolarHBondContact N-OE2 3.36Å; S34-E37 WeakPolarHBondContact O-CA 2.97Å; S34-E37 WeakPolarHBondContact O-CB 2.58Å; S34-E37 PolarHBondContact O-N 2.92Å; S34-E37 WeakPolarHBondContact OG-CG 3.16Å; S34-E37 PolarHBondContact OG-N 3.08Å; S34-E37 VanDerWaalsContact OG-N 3.15Å; S34-L38 WeakPolarHBondContact O-CG 3.42Å; S34-L38 PolarHBondContact O-N 2.97Å | ||
| 35 | T | 75.2 | Confident | 74 | Confident | 31 Ų | 31 | 72.3 Ų | 72.3 | 19% | 0.19 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -53.9 | -26.9 | 176.9 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | L38 A39 | T35-L38 PolarHBondContact O-N 2.9Å; T35-A39 WeakPolarHBondContact O-CB 3.47Å; T35-A39 PolarHBondContact O-N 3.33Å |
| 36 | R | 80 | Confident | 74.6 | Confident | 185 Ų | 185 | 72.5 Ų | 72.5 | 70% | 0.698 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -70.6 | -39.7 | 176.4 | -173.6 | 179.1 | 175.5 | 173.1 | -0.6 | 111.2 | S34 L38 A39 E40 | S34-R36 PolarHBondContact O-N 3.39Å; S34-R36 VanDerWaalsContact O-N 3.1Å; S34-R36 WeakPolarHBondContact OG-CB 3.04Å; S34-R36 PolarHBondContact OG-N 1.88Å; R36-L38 PolarHBondContact O-N 3.38Å; R36-A39 WeakPolarHBondContact O-CB 3.39Å; R36-A39 PolarHBondContact O-N 3.37Å; R36-E40 WeakPolarHBondContact O-CG 2.81Å; R36-E40 PolarHBondContact O-N 2.94Å |
| 37 | E | 79.8 | Confident | 75 | Confident | 71 Ų | 71 | 78 Ų | 78 | 33% | 0.332 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.4 | -31.1 | 180 | -72.4 | 174.3 | 161.3 | 0 | 0 | 111.1 | F33 S34 A39 E40 F41 | F33-E37 VanDerWaalsContact C-OE2 3.3Å; F33-E37 WeakPolarHBondContact CA-OE2 2.42Å; F33-E37 HydrophobicContact CB-CB 3.89Å; F33-E37 HydrophobicContact CD1-CB 3.66Å; F33-E37 HydrophobicContact CD1-CG 4.22Å; F33-E37 WeakPolarHBondContact CD1-OE2 2.87Å; F33-E37 HydrophobicContact CG-CB 4.02Å; S34-E37 PolarHBondContact N-OE2 3.36Å; S34-E37 WeakPolarHBondContact O-CA 2.97Å; S34-E37 WeakPolarHBondContact O-CB 2.58Å; S34-E37 PolarHBondContact O-N 2.92Å; S34-E37 WeakPolarHBondContact OG-CG 3.16Å; S34-E37 PolarHBondContact OG-N 3.08Å; S34-E37 VanDerWaalsContact OG-N 3.15Å; E37-A39 PolarHBondContact O-N 3.02Å; E37-E40 VanDerWaalsContact O-CB 3.29Å; E37-E40 WeakPolarHBondContact O-CB 3.5Å; E37-E40 PolarHBondContact O-N 2.95Å; E37-E40 VanDerWaalsContact O-N 3.12Å; E37-F41 WeakPolarHBondContact O-CD2 3.33Å; E37-F41 PolarHBondContact O-N 2.56Å |
| 38 | L | 80.2 | Confident | 76 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -72.9 | -32.3 | 177.6 | -72.6 | 173.7 | 0 | 0 | 0 | 110.2 | L23 A26 L27 F33 S34 T35 R36 E40 F41 I42 I50 M54 H90 | L23-L38 HydrophobicContact CD1-CD1 4.33Å; L23-L38 HydrophobicContact CD1-CD2 4.33Å; A26-L38 HydrophobicContact CB-CD2 3.63Å; L27-L38 HydrophobicContact CD2-CD1 4.23Å; L27-L38 HydrophobicContact CD2-CD2 4.22Å; L27-L38 HydrophobicContact CG-CD2 4.46Å; F33-L38 HydrophobicContact CB-CD2 3.78Å; F33-L38 HydrophobicContact CB-CG 3.88Å; F33-L38 HydrophobicContact CD2-CD2 4.21Å; F33-L38 HydrophobicContact CG-CD2 4.43Å; S34-L38 WeakPolarHBondContact O-CG 3.42Å; S34-L38 PolarHBondContact O-N 2.97Å; T35-L38 PolarHBondContact O-N 2.9Å; R36-L38 PolarHBondContact O-N 3.38Å; L38-E40 PolarHBondContact O-N 2.66Å; L38-F41 WeakPolarHBondContact O-CB 3.46Å; L38-F41 PolarHBondContact O-N 3.13Å; L38-I42 PolarHBondContact O-N 3.33Å; L38-I50 HydrophobicContact CB-CD1 3.78Å; L38-I50 HydrophobicContact CB-CG2 4.39Å; L38-I50 HydrophobicContact CD1-CG2 4.03Å; L38-M54 HydrophobicContact CD1-CE 3.26Å; L38-H90 VanDerWaalsContact CD1-NE2 3.29Å; L38-H90 WeakPolarHBondContact CD1-NE2 3.37Å |
| 39 | A | 86 | Confident | 77.1 | Confident | 22 Ų | 22 | 78.4 Ų | 78.4 | 18% | 0.182 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.9 | -21.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | T35 R36 E37 F41 I42 I50 | T35-A39 WeakPolarHBondContact O-CB 3.47Å; T35-A39 PolarHBondContact O-N 3.33Å; R36-A39 WeakPolarHBondContact O-CB 3.39Å; R36-A39 PolarHBondContact O-N 3.37Å; E37-A39 PolarHBondContact O-N 3.02Å; A39-F41 PolarHBondContact O-N 3.32Å; A39-I42 CarbonylContact O-C 3.59Å; A39-I42 VanDerWaalsContact O-C 3.27Å; A39-I42 PolarHBondContact O-N 3.21Å; A39-I50 VanDerWaalsContact CA-CD1 3.47Å; A39-I50 HydrophobicContact CB-CD1 3.84Å |
| 40 | E | 84.2 | Confident | 77.9 | Confident | 124 Ų | 124 | 69.7 Ų | 69.7 | 58% | 0.579 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -74.6 | -21.6 | 175.9 | -73.6 | 178.4 | 178.8 | 0 | 0 | 111.5 | R36 E37 L38 | R36-E40 WeakPolarHBondContact O-CG 2.81Å; R36-E40 PolarHBondContact O-N 2.94Å; E37-E40 VanDerWaalsContact O-CB 3.29Å; E37-E40 WeakPolarHBondContact O-CB 3.5Å; E37-E40 PolarHBondContact O-N 2.95Å; E37-E40 VanDerWaalsContact O-N 3.12Å; L38-E40 PolarHBondContact O-N 2.66Å |
| 41 | F | 79.4 | Confident | 79 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 28% | 0.276 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -89.5 | -28.4 | -179.3 | -85.6 | -90.9 | 0 | 0 | 0 | 110.7 | A26 F33 E37 L38 A39 | A26-F41 HydrophobicContact CB-CB 4.02Å; A26-F41 HydrophobicContact CB-CD1 4.23Å; A26-F41 HydrophobicContact CB-CD2 4.34Å; A26-F41 HydrophobicContact CB-CG 3.95Å; F33-F41 HydrophobicContact CD2-CE2 4.14Å; F33-F41 HydrophobicContact CE1-CE2 4.04Å; F33-F41 HydrophobicContact CE2-CD2 4.35Å; F33-F41 AromaticContact CE2-CE2 3.56Å; F33-F41 HydrophobicContact CE2-CE2 3.56Å; F33-F41 AromaticContact CE2-CZ 3.77Å; F33-F41 HydrophobicContact CE2-CZ 3.77Å; F33-F41 AromaticContact CZ-CE2 3.52Å; F33-F41 HydrophobicContact CZ-CE2 3.52Å; F33-F41 AromaticContact CZ-CZ 3.68Å; F33-F41 HydrophobicContact CZ-CZ 3.68Å; E37-F41 WeakPolarHBondContact O-CD2 3.33Å; E37-F41 PolarHBondContact O-N 2.56Å; L38-F41 WeakPolarHBondContact O-CB 3.46Å; L38-F41 PolarHBondContact O-N 3.13Å; A39-F41 PolarHBondContact O-N 3.32Å |
| 42 | I | 84.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -116.9 | 90 | 178.5 | -54.6 | 168.4 | 0 | 0 | 0 | 107.9 | W15 E19 L22 L23 L38 A39 T44 K45 | W15-I42 HydrophobicContact CH2-CD1 4.49Å; W15-I42 HydrophobicContact CZ3-CD1 4.11Å; E19-I42 HydrophobicContact CB-CG2 4.37Å; E19-I42 HydrophobicContact CG-CG2 4.31Å; L22-I42 HydrophobicContact CB-CG1 4Å; L23-I42 VanDerWaalsContact CA-CD1 3.44Å; L23-I42 HydrophobicContact CB-CD1 3.35Å; L23-I42 HydrophobicContact CD1-CD1 3.53Å; L23-I42 HydrophobicContact CG-CD1 4.03Å; L38-I42 PolarHBondContact O-N 3.33Å; A39-I42 CarbonylContact O-C 3.59Å; A39-I42 VanDerWaalsContact O-C 3.27Å; A39-I42 PolarHBondContact O-N 3.21Å; I42-T44 PolarHBondContact O-N 3.37Å; I42-K45 HydrophobicContact CB-CB 4.46Å; I42-K45 HydrophobicContact CG2-CB 3.91Å; I42-K45 HydrophobicContact CG2-CG 3.7Å; I42-K45 PolarHBondContact O-N 2.75Å; I42-K45 VanDerWaalsContact O-O 3.1Å |
| 43 | Q | 83.4 | Confident | 81.6 | Confident | 181 Ų | 181 | 66.5 Ų | 66.5 | 85% | 0.846 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -9.5 | -167.6 | -71.9 | -178.4 | 6 | 0 | 0 | 110.6 | ||
| 44 | T | 86.5 | Confident | 82 | Confident | 92 Ų | 92 | 66 Ų | 66 | 56% | 0.564 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -7.2 | -176 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | E19 I42 | E19-T44 WeakPolarHBondContact CG-OG1 3.43Å; E19-T44 WeakPolarHBondContact OE1-CB 3.48Å; E19-T44 PolarHBondContact OE1-OG1 3.36Å; I42-T44 PolarHBondContact O-N 3.37Å |
| 45 | K | 86.2 | Confident | 81.9 | Confident | 18 Ų | 18 | 66.2 Ų | 66.2 | 8% | 0.078 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -122.7 | 138.2 | -176.4 | -65.7 | -67.9 | -177.1 | -167.8 | 0 | 109.4 | E14 W15 E19 I42 E49 I50 | E14-K45 WeakPolarHBondContact O-CE 2.43Å; E14-K45 PolarHBondContact O-NZ 3.29Å; W15-K45 HydrophobicContact CD2-CD 4.49Å; W15-K45 HydrophobicContact CE3-CG 4.49Å; W15-K45 HydrophobicContact CH2-CB 4.39Å; W15-K45 HydrophobicContact CH2-CG 3.97Å; W15-K45 HydrophobicContact CZ2-CD 4.15Å; W15-K45 HydrophobicContact CZ2-CG 4.1Å; W15-K45 HydrophobicContact CZ3-CG 4.15Å; E19-K45 WeakPolarHBondContact OE2-CE 3.01Å; E19-K45 IonicContact OE2-NZ 3.9Å; I42-K45 HydrophobicContact CB-CB 4.46Å; I42-K45 HydrophobicContact CG2-CB 3.91Å; I42-K45 HydrophobicContact CG2-CG 3.7Å; I42-K45 PolarHBondContact O-N 2.75Å; I42-K45 VanDerWaalsContact O-O 3.1Å; K45-E49 WeakPolarHBondContact CA-OE2 3.07Å; K45-E49 HydrophobicContact CB-CB 4.35Å; K45-E49 HydrophobicContact CD-CB 4.08Å; K45-E49 WeakPolarHBondContact CD-OE2 3.24Å; K45-I50 HydrophobicContact CB-CG1 4.04Å |
| 46 | N | 87 | Confident | 81.6 | Confident | 78 Ų | 78 | 65 Ų | 65 | 42% | 0.417 | 32% | 0.316 | S | S | . | . | trans | -89.9 | 166.3 | 175.8 | 62.5 | 27.2 | 0 | 0 | 0 | 111.6 | T48 E49 I50 | N46-T48 PolarHBondContact O-N 2.63Å; N46-T48 VanDerWaalsContact O-N 3.15Å; N46-T48 WeakPolarHBondContact OD1-CB 3.47Å; N46-T48 PolarHBondContact OD1-N 3.05Å; N46-T48 VanDerWaalsContact OD1-N 3.08Å; N46-E49 PolarHBondContact N-OE2 3.45Å; N46-E49 PolarHBondContact O-N 2.98Å; N46-E49 VanDerWaalsContact O-N 3.13Å; N46-E49 WeakPolarHBondContact OD1-CA 2.51Å; N46-E49 WeakPolarHBondContact OD1-CB 3.33Å; N46-E49 WeakPolarHBondContact OD1-CG 3.15Å; N46-E49 PolarHBondContact OD1-N 2.82Å; N46-E49 PolarHBondContact OD1-OE2 3.42Å; N46-I50 WeakPolarHBondContact O-CG1 3.27Å; N46-I50 PolarHBondContact O-N 2.92Å | ||
| 47 | K | 84.3 | Confident | 80.8 | Confident | 117 Ų | 117 | 57.1 Ų | 57.1 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -54.4 | -35.5 | -176.1 | 62.2 | -179.2 | -179.8 | -177.9 | 0 | 111.4 | E49 I50 R51 | K47-E49 VanDerWaalsContact C-N 3.27Å; K47-I50 PolarHBondContact O-N 3.15Å; K47-R51 WeakPolarHBondContact O-CB 3.2Å; K47-R51 PolarHBondContact O-N 3.41Å |
| 48 | T | 84.9 | Confident | 80 | Confident | 78 Ų | 78 | 57.8 Ų | 57.8 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -70.2 | -38.2 | -177.8 | -48.3 | 0 | 0 | 0 | 0 | 110.4 | N46 I50 R51 E52 | N46-T48 PolarHBondContact O-N 2.63Å; N46-T48 VanDerWaalsContact O-N 3.15Å; N46-T48 WeakPolarHBondContact OD1-CB 3.47Å; N46-T48 PolarHBondContact OD1-N 3.05Å; N46-T48 VanDerWaalsContact OD1-N 3.08Å; T48-I50 VanDerWaalsContact C-N 3.26Å; T48-I50 PolarHBondContact O-N 3.02Å; T48-R51 PolarHBondContact O-N 2.88Å; T48-E52 WeakPolarHBondContact O-CB 3.06Å; T48-E52 PolarHBondContact O-N 3.42Å |
| 49 | E | 84.8 | Confident | 79.2 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 179.2 | -69.9 | 175 | 132.2 | 0 | 0 | 111.6 | K45 N46 K47 R51 E52 L53 | K45-E49 WeakPolarHBondContact CA-OE2 3.07Å; K45-E49 HydrophobicContact CB-CB 4.35Å; K45-E49 HydrophobicContact CD-CB 4.08Å; K45-E49 WeakPolarHBondContact CD-OE2 3.24Å; N46-E49 PolarHBondContact N-OE2 3.45Å; N46-E49 PolarHBondContact O-N 2.98Å; N46-E49 VanDerWaalsContact O-N 3.13Å; N46-E49 WeakPolarHBondContact OD1-CA 2.51Å; N46-E49 WeakPolarHBondContact OD1-CB 3.33Å; N46-E49 WeakPolarHBondContact OD1-CG 3.15Å; N46-E49 PolarHBondContact OD1-N 2.82Å; N46-E49 PolarHBondContact OD1-OE2 3.42Å; K47-E49 VanDerWaalsContact C-N 3.27Å; E49-R51 VanDerWaalsContact C-N 3.29Å; E49-E52 PolarHBondContact O-N 3.46Å; E49-L53 PolarHBondContact O-N 2.81Å |
| 50 | I | 83.1 | Confident | 77.8 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.4 | -39.1 | 179.5 | -67.6 | 175.3 | 0 | 0 | 0 | 109.3 | W15 L23 L38 A39 K45 N46 K47 T48 E52 L53 M54 | W15-I50 HydrophobicContact CH2-CG1 4.02Å; W15-I50 HydrophobicContact CZ2-CG1 4.46Å; L23-I50 HydrophobicContact CD1-CG2 4.38Å; L38-I50 HydrophobicContact CB-CD1 3.78Å; L38-I50 HydrophobicContact CB-CG2 4.39Å; L38-I50 HydrophobicContact CD1-CG2 4.03Å; A39-I50 VanDerWaalsContact CA-CD1 3.47Å; A39-I50 HydrophobicContact CB-CD1 3.84Å; K45-I50 HydrophobicContact CB-CG1 4.04Å; N46-I50 WeakPolarHBondContact O-CG1 3.27Å; N46-I50 PolarHBondContact O-N 2.92Å; K47-I50 PolarHBondContact O-N 3.15Å; T48-I50 VanDerWaalsContact C-N 3.26Å; T48-I50 PolarHBondContact O-N 3.02Å; I50-E52 VanDerWaalsContact C-N 3.26Å; I50-E52 PolarHBondContact O-N 3.1Å; I50-L53 PolarHBondContact O-N 3.24Å; I50-M54 HydrophobicContact CG2-CE 3.87Å; I50-M54 HydrophobicContact CG2-SD 4.23Å; I50-M54 VanDerWaalsContact O-CG 3.32Å; I50-M54 WeakPolarHBondContact O-CG 2.66Å; I50-M54 PolarHBondContact O-N 3.45Å |
| 51 | R | 81 | Confident | 76.3 | Confident | 132 Ų | 132 | 61.7 Ų | 61.7 | 50% | 0.498 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.6 | -40.8 | 179.2 | -166.1 | -178.8 | -78.8 | 136.1 | 1.1 | 110.5 | K47 T48 E49 L53 M54 A55 | K47-R51 WeakPolarHBondContact O-CB 3.2Å; K47-R51 PolarHBondContact O-N 3.41Å; T48-R51 PolarHBondContact O-N 2.88Å; E49-R51 VanDerWaalsContact C-N 3.29Å; R51-L53 VanDerWaalsContact C-N 3.27Å; R51-M54 PolarHBondContact O-N 2.85Å; R51-A55 WeakPolarHBondContact O-CB 3.34Å; R51-A55 PolarHBondContact O-N 3.41Å |
| 52 | E | 82.3 | Confident | 74.8 | Confident | 79 Ų | 79 | 65.9 Ų | 65.9 | 37% | 0.369 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.4 | -42.3 | -179.9 | -168.6 | 174 | -173.8 | 0 | 0 | 111.3 | V11 T48 E49 I50 M54 A55 C56 | V11-E52 HydrophobicContact CG2-CG 4.04Å; T48-E52 WeakPolarHBondContact O-CB 3.06Å; T48-E52 PolarHBondContact O-N 3.42Å; E49-E52 PolarHBondContact O-N 3.46Å; I50-E52 VanDerWaalsContact C-N 3.26Å; I50-E52 PolarHBondContact O-N 3.1Å; E52-M54 VanDerWaalsContact C-N 3.35Å; E52-A55 PolarHBondContact O-N 3.29Å; E52-C56 WeakPolarHBondContact O-CB 3.13Å; E52-C56 PolarHBondContact O-N 2.94Å; E52-C56 PolarHBondContact O-SG 3.01Å |
| 53 | L | 79.9 | Confident | 73.1 | Confident | 1 Ų | 1 | 74.4 Ų | 74.4 | 1% | 0.005 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.4 | 178.2 | 69.8 | 0 | 0 | 0 | 111.5 | V11 T12 W15 L20 L23 E49 I50 R51 A55 C56 L57 | V11-L53 HydrophobicContact CG1-CB 3.98Å; V11-L53 HydrophobicContact CG1-CD1 3.71Å; T12-L53 HydrophobicContact CG2-CD1 3.92Å; W15-L53 HydrophobicContact CD2-CD2 3.64Å; W15-L53 HydrophobicContact CE3-CD2 3.8Å; W15-L53 HydrophobicContact CG-CD2 4.41Å; W15-L53 HydrophobicContact CH2-CB 4.46Å; W15-L53 HydrophobicContact CH2-CD2 3.44Å; W15-L53 VanDerWaalsContact CH2-CD2 3.44Å; W15-L53 HydrophobicContact CZ2-CB 3.67Å; W15-L53 HydrophobicContact CZ2-CD2 3.31Å; W15-L53 HydrophobicContact CZ2-CG 4.08Å; W15-L53 HydrophobicContact CZ3-CD2 3.7Å; L20-L53 HydrophobicContact CD2-CD2 3.99Å; L23-L53 HydrophobicContact CD2-CD2 3.64Å; E49-L53 PolarHBondContact O-N 2.81Å; I50-L53 PolarHBondContact O-N 3.24Å; R51-L53 VanDerWaalsContact C-N 3.27Å; L53-A55 VanDerWaalsContact C-N 3.28Å; L53-A55 PolarHBondContact O-N 2.88Å; L53-C56 PolarHBondContact O-N 3.41Å; L53-L57 HydrophobicContact CD1-CD1 4.47Å; L53-L57 HydrophobicContact CG-CD1 4.11Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 2.98Å |
| 54 | M | 74.4 | Confident | 71.4 | Confident | 10 Ų | 10 | 66.9 Ų | 66.9 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | -178.5 | -72.1 | -176.5 | 169.4 | 0 | 0 | 110.7 | L27 L38 I50 R51 E52 L57 M58 I87 H90 | L27-M54 HydrophobicContact CD2-CE 4.21Å; L38-M54 HydrophobicContact CD1-CE 3.26Å; I50-M54 HydrophobicContact CG2-CE 3.87Å; I50-M54 HydrophobicContact CG2-SD 4.23Å; I50-M54 VanDerWaalsContact O-CG 3.32Å; I50-M54 WeakPolarHBondContact O-CG 2.66Å; I50-M54 PolarHBondContact O-N 3.45Å; R51-M54 PolarHBondContact O-N 2.85Å; E52-M54 VanDerWaalsContact C-N 3.35Å; M54-L57 PolarHBondContact O-N 3.24Å; M54-M58 WeakPolarHBondContact O-CG 3.4Å; M54-M58 PolarHBondContact O-N 3.21Å; M54-M58 VanDerWaalsContact O-N 3.15Å; M54-I87 HydrophobicContact CB-CG2 3.71Å; M54-I87 HydrophobicContact CG-CD1 4.5Å; M54-I87 HydrophobicContact CG-CG1 4.33Å; M54-I87 HydrophobicContact CG-CG2 3.64Å; M54-H90 WeakPolarHBondContact CE-ND1 3.41Å |
| 55 | A | 73 | Confident | 69.3 | Low | 59 Ų | 59 | 66.7 Ų | 66.7 | 49% | 0.488 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -67.9 | -41.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | R51 E52 L53 L57 M58 D59 | R51-A55 WeakPolarHBondContact O-CB 3.34Å; R51-A55 PolarHBondContact O-N 3.41Å; E52-A55 PolarHBondContact O-N 3.29Å; L53-A55 VanDerWaalsContact C-N 3.28Å; L53-A55 PolarHBondContact O-N 2.88Å; A55-L57 PolarHBondContact O-N 3.42Å; A55-M58 PolarHBondContact O-N 3.34Å; A55-D59 WeakPolarHBondContact O-CB 2.3Å; A55-D59 PolarHBondContact O-N 2.97Å; A55-D59 VanDerWaalsContact O-N 3.11Å |
| 56 | C | 68 | Low | 67.2 | Low | 6 Ų | 6 | 72.6 Ų | 72.6 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.4 | -34.1 | -179.5 | -75.3 | 0 | 0 | 0 | 0 | 111.3 | L8 V11 E52 L53 D59 V60 | L8-C56 HydrophobicContact CD1-CB 3.9Å; V11-C56 WeakPolarHBondContact CG2-SG 3.43Å; E52-C56 WeakPolarHBondContact O-CB 3.13Å; E52-C56 PolarHBondContact O-N 2.94Å; E52-C56 PolarHBondContact O-SG 3.01Å; L53-C56 PolarHBondContact O-N 3.41Å; C56-D59 PolarHBondContact O-N 3.14Å; C56-V60 WeakPolarHBondContact O-CG2 3.22Å; C56-V60 PolarHBondContact O-N 3.19Å |
| 57 | L | 64.6 | Low | 65.1 | Low | 18 Ų | 18 | 72 Ų | 72 | 9% | 0.094 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -73.6 | -33.5 | -179.1 | -77.5 | 171.7 | 0 | 0 | 0 | 110.4 | L8 L53 M54 A55 D59 V60 I83 L84 I87 | L8-L57 HydrophobicContact CD1-CD2 3.78Å; L8-L57 HydrophobicContact CD1-CG 4.24Å; L53-L57 HydrophobicContact CD1-CD1 4.47Å; L53-L57 HydrophobicContact CG-CD1 4.11Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 2.98Å; M54-L57 PolarHBondContact O-N 3.24Å; A55-L57 PolarHBondContact O-N 3.42Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 3.1Å; L57-V60 PolarHBondContact O-N 2.76Å; L57-I83 HydrophobicContact CD1-CG2 3.96Å; L57-L84 HydrophobicContact CD2-CD1 4.09Å; L57-L84 HydrophobicContact CD2-CG 4.05Å; L57-I87 HydrophobicContact CB-CD1 4.44Å; L57-I87 HydrophobicContact CB-CG2 4.44Å; L57-I87 HydrophobicContact CD1-CB 4.31Å; L57-I87 HydrophobicContact CD1-CD1 2.55Å; L57-I87 HydrophobicContact CD1-CG1 3.96Å; L57-I87 HydrophobicContact CD1-CG2 4.28Å; L57-I87 HydrophobicContact CG-CD1 4.02Å |
| 58 | M | 62.1 | Low | 63.1 | Low | 86 Ų | 86 | 72.4 Ų | 72.4 | 42% | 0.424 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -77.6 | -21.5 | -178.9 | -68.7 | -64 | -66 | 0 | 0 | 110.4 | M54 A55 V60 T88 | M54-M58 WeakPolarHBondContact O-CG 3.4Å; M54-M58 PolarHBondContact O-N 3.21Å; M54-M58 VanDerWaalsContact O-N 3.15Å; A55-M58 PolarHBondContact O-N 3.34Å; M58-V60 VanDerWaalsContact C-N 3.3Å; M58-T88 HydrophobicContact CE-CG2 4Å; M58-T88 HydrophobicContact SD-CG2 3.95Å |
| 59 | D | 62.6 | Low | 61 | Low | 104 Ų | 104 | 76.9 Ų | 76.9 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -87.9 | -4.9 | -176.5 | -152.2 | 24.6 | 0 | 0 | 0 | 110.7 | A55 C56 L57 N61 | A55-D59 WeakPolarHBondContact O-CB 2.3Å; A55-D59 PolarHBondContact O-N 2.97Å; A55-D59 VanDerWaalsContact O-N 3.11Å; C56-D59 PolarHBondContact O-N 3.14Å; L57-D59 VanDerWaalsContact C-N 3.25Å; L57-D59 PolarHBondContact O-N 3.1Å; D59-N61 PolarHBondContact O-N 3.33Å |
| 60 | V | 58.1 | Low | 58.9 | Low | 14 Ų | 14 | 75.9 Ų | 75.9 | 9% | 0.085 | 38% | 0.383 | C | S | . | . | trans | -92.4 | 0 | -176.9 | 177 | 0 | 0 | 0 | 0 | 108.4 | L8 C56 L57 M58 N64 L65 | L8-V60 HydrophobicContact CB-CG2 4.21Å; L8-V60 HydrophobicContact CD1-CG2 4.25Å; L8-V60 HydrophobicContact CD2-CG1 4.46Å; L8-V60 HydrophobicContact CD2-CG2 3.54Å; L8-V60 HydrophobicContact CG-CG2 4.22Å; C56-V60 WeakPolarHBondContact O-CG2 3.22Å; C56-V60 PolarHBondContact O-N 3.19Å; L57-V60 PolarHBondContact O-N 2.76Å; M58-V60 VanDerWaalsContact C-N 3.3Å; V60-N64 HydrophobicContact CG1-CB 4.04Å; V60-L65 HydrophobicContact CG1-CD1 4.27Å; V60-L65 HydrophobicContact CG1-CD2 3.84Å; V60-L65 HydrophobicContact CG1-CG 3.66Å | ||
| 61 | N | 52.8 | Low | 56.5 | Low | 110 Ų | 110 | 82 Ų | 82 | 59% | 0.588 | 42% | 0.42 | S | S | * | . | 0 | 134.6 | 0 | -92.4 | 0.3 | 0 | 0 | 0 | 112 | D59 K63 N64 | D59-N61 PolarHBondContact O-N 3.33Å; N61-K63 PolarHBondContact O-N 2.85Å; N61-N64 VanDerWaalsContact O-CB 3.31Å; N61-N64 WeakPolarHBondContact O-CB 3.45Å; N61-N64 PolarHBondContact O-N 3.43Å | |||
| 62 | E | 47.9 | Very low | 54.3 | Low | 151 Ų | 151 | 80.2 Ų | 80.2 | 71% | 0.706 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -41.3 | -25.7 | 179 | -160.6 | 170.7 | 177.9 | 0 | 0 | 111.4 | N64 L65 | E62-N64 PolarHBondContact O-N 3.2Å; E62-L65 PolarHBondContact O-N 3.22Å |
| 63 | K | 48.2 | Very low | 52.1 | Low | 178 Ų | 178 | 80.5 Ų | 80.5 | 77% | 0.774 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -78.9 | -26.5 | -178.4 | -71 | -175 | -177.2 | 178.1 | 0 | 111 | N61 L65 | N61-K63 PolarHBondContact O-N 2.85Å; K63-L65 VanDerWaalsContact C-N 3.28Å |
| 64 | N | 47.6 | Very low | 49.8 | Very low | 23 Ų | 23 | 90.3 Ų | 90.3 | 12% | 0.123 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -78.8 | -17.9 | 179.6 | -66.4 | -23.1 | 0 | 0 | 0 | 112 | L2 L5 V60 N61 E62 I70 | L2-N64 WeakPolarHBondContact CD1-OD1 3.36Å; L5-N64 HydrophobicContact CD1-CB 3.77Å; L5-N64 HydrophobicContact CD2-CB 4.29Å; L5-N64 HydrophobicContact CG-CB 4.03Å; V60-N64 HydrophobicContact CG1-CB 4.04Å; N61-N64 VanDerWaalsContact O-CB 3.31Å; N61-N64 WeakPolarHBondContact O-CB 3.45Å; N61-N64 PolarHBondContact O-N 3.43Å; E62-N64 PolarHBondContact O-N 3.2Å; N64-I70 WeakPolarHBondContact O-CD1 3.22Å |
| 65 | L | 43.3 | Very low | 47.8 | Very low | 88 Ų | 88 | 92.4 Ų | 92.4 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -90.2 | -8.7 | -179.2 | -72 | 167 | 0 | 0 | 0 | 110.4 | V60 E62 K63 | V60-L65 HydrophobicContact CG1-CD1 4.27Å; V60-L65 HydrophobicContact CG1-CD2 3.84Å; V60-L65 HydrophobicContact CG1-CG 3.66Å; E62-L65 PolarHBondContact O-N 3.22Å; K63-L65 VanDerWaalsContact C-N 3.28Å |
| 66 | Q | 41.9 | Very low | 46 | Very low | 143 Ų | 143 | 98 Ų | 98 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 4.3 | -176.4 | -72.8 | -175.1 | -1.1 | 0 | 0 | 110.1 | P68 | Q66-P68 WeakPolarHBondContact O-CD 3.13Å; Q66-P68 VanDerWaalsContact O-N 3.14Å |
| 67 | D | 42.8 | Very low | 44.1 | Very low | 64 Ų | 64 | 102.5 Ų | 102.5 | 34% | 0.342 | 53% | 0.534 | S | S | . | . | trans | -68.9 | 112.8 | 177.3 | -163.6 | -18.5 | 0 | 0 | 0 | 110.6 | Q69 I70 | D67-Q69 PolarHBondContact O-N 3.45Å; D67-Q69 VanDerWaalsContact O-N 3.12Å; D67-Q69 PolarHBondContact OD1-N 3.18Å; D67-I70 HydrophobicContact CB-CD1 3.45Å; D67-I70 VanDerWaalsContact CB-CD1 3.45Å; D67-I70 HydrophobicContact CB-CG1 3.73Å; D67-I70 WeakPolarHBondContact O-CB 3.2Å; D67-I70 PolarHBondContact O-N 3.45Å | ||
| 68 | P | 40.9 | Very low | 42.7 | Very low | 126 Ų | 126 | 108.8 Ų | 108.8 | 82% | 0.818 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -11.4 | -179.4 | 1.9 | -0.7 | 0 | 0 | 0 | 111.8 | Q66 I70 | Q66-P68 WeakPolarHBondContact O-CD 3.13Å; Q66-P68 VanDerWaalsContact O-N 3.14Å; P68-I70 VanDerWaalsContact C-N 3.27Å; P68-I70 PolarHBondContact O-N 3.39Å |
| 69 | Q | 41.9 | Very low | 41.6 | Very low | 173 Ų | 173 | 105.7 Ų | 105.7 | 81% | 0.808 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | 5.2 | 179.1 | -72.2 | -168.2 | 2.7 | 0 | 0 | 110.9 | D67 T71 | D67-Q69 PolarHBondContact O-N 3.45Å; D67-Q69 VanDerWaalsContact O-N 3.12Å; D67-Q69 PolarHBondContact OD1-N 3.18Å; Q69-T71 PolarHBondContact O-N 3.05Å |
| 70 | I | 40.4 | Very low | 40.4 | Very low | 28 Ų | 28 | 103 Ų | 103 | 14% | 0.144 | 54% | 0.543 | C | S | . | . | trans | -103 | 94 | 179.7 | -64.6 | 175.4 | 0 | 0 | 0 | 108.4 | L5 Y9 N64 D67 P68 V72 | L5-I70 HydrophobicContact CD1-CD1 3.89Å; L5-I70 HydrophobicContact CD2-CD1 3.65Å; L5-I70 HydrophobicContact CG-CD1 4.41Å; Y9-I70 HydrophobicContact CE2-CG2 3.84Å; Y9-I70 WeakPolarHBondContact OH-CG2 3.46Å; N64-I70 WeakPolarHBondContact O-CD1 3.22Å; D67-I70 HydrophobicContact CB-CD1 3.45Å; D67-I70 VanDerWaalsContact CB-CD1 3.45Å; D67-I70 HydrophobicContact CB-CG1 3.73Å; D67-I70 WeakPolarHBondContact O-CB 3.2Å; D67-I70 PolarHBondContact O-N 3.45Å; P68-I70 VanDerWaalsContact C-N 3.27Å; P68-I70 PolarHBondContact O-N 3.39Å; I70-V72 HydrophobicContact CG2-CG2 3.82Å; I70-V72 PolarHBondContact O-N 2.82Å | ||
| 71 | T | 32.5 | Very low | 39.3 | Very low | 128 Ų | 128 | 107.8 Ų | 107.8 | 79% | 0.785 | 57% | 0.567 | S | S | * | * | trans | -68.7 | 83.5 | 172 | 25 | 0 | 0 | 0 | 0 | 110.5 | Y9 Q69 P73 | Y9-T71 PolarHBondContact OH-O 3.18Å; Q69-T71 PolarHBondContact O-N 3.05Å; T71-P73 WeakPolarHBondContact O-CD 2.84Å | ||
| 72 | V | 34.1 | Very low | 38.9 | Very low | 95 Ų | 95 | 104.9 Ų | 104.9 | 58% | 0.576 | 55% | 0.551 | S | S | * | * | trans | -59.4 | 107.9 | 171.4 | -174.6 | 0 | 0 | 0 | 0 | 109 | I70 E74 | I70-V72 HydrophobicContact CG2-CG2 3.82Å; I70-V72 PolarHBondContact O-N 2.82Å; V72-E74 PolarHBondContact O-N 3.41Å; V72-E74 VanDerWaalsContact O-N 3.1Å | ||
| 73 | P | 36.2 | Very low | 38.7 | Very low | 85 Ų | 85 | 98.3 Ų | 98.3 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | trans | -37.1 | 0 | 173.7 | 2.7 | 2.5 | 0 | 0 | 0 | 111.7 | T71 V75 | T71-P73 WeakPolarHBondContact O-CD 2.84Å; P73-V75 VanDerWaalsContact C-CG2 3.41Å; P73-V75 HydrophobicContact CB-CG2 3.79Å; P73-V75 HydrophobicContact CG-CG2 4.09Å; P73-V75 WeakPolarHBondContact O-CA 3.32Å; P73-V75 WeakPolarHBondContact O-CB 3.4Å; P73-V75 WeakPolarHBondContact O-CG2 2.99Å; P73-V75 PolarHBondContact O-N 3.07Å | ||
| 74 | E | 33.3 | Very low | 38.3 | Very low | 208 Ų | 208 | 92.2 Ų | 92.2 | 97% | 0.972 | 50% | 0.496 | S | S | * | . | 0 | 67.9 | 0 | -102.9 | -177.6 | -179.9 | 0 | 0 | 111.5 | V72 | V72-E74 PolarHBondContact O-N 3.41Å; V72-E74 VanDerWaalsContact O-N 3.1Å | |||
| 75 | V | 32.5 | Very low | 37.9 | Very low | 53 Ų | 53 | 94.4 Ų | 94.4 | 32% | 0.321 | 51% | 0.508 | S | S | . | . | trans | -99.7 | 109 | -179.7 | -170.5 | 0 | 0 | 0 | 0 | 108 | P73 P77 | P73-V75 VanDerWaalsContact C-CG2 3.41Å; P73-V75 HydrophobicContact CB-CG2 3.79Å; P73-V75 HydrophobicContact CG-CG2 4.09Å; P73-V75 WeakPolarHBondContact O-CA 3.32Å; P73-V75 WeakPolarHBondContact O-CB 3.4Å; P73-V75 WeakPolarHBondContact O-CG2 2.99Å; P73-V75 PolarHBondContact O-N 3.07Å; V75-P77 WeakPolarHBondContact O-CD 3.33Å | ||
| 76 | K | 34 | Very low | 37.9 | Very low | 178 Ų | 178 | 90.9 Ų | 90.9 | 77% | 0.774 | 49% | 0.489 | S | S | * | . | trans | -21.2 | 0 | 171.3 | -83.8 | -174.6 | -177.7 | -179.5 | 0 | 111.5 | E78 G79 | K76-E78 PolarHBondContact O-N 3.41Å; K76-G79 PolarHBondContact O-N 2.88Å; K76-G79 VanDerWaalsContact O-N 3.13Å | ||
| 77 | P | 28.3 | Very low | 37.8 | Very low | 100 Ų | 100 | 84.1 Ų | 84.1 | 65% | 0.649 | 46% | 0.457 | S | S | * | . | H | α-helix | 0 | -6.1 | 0 | 8.6 | -7.2 | 0 | 0 | 0 | 111.7 | V75 G79 | V75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-G79 PolarHBondContact O-N 2.84Å | |
| 78 | E | 35.1 | Very low | 37.5 | Very low | 150 Ų | 150 | 83.6 Ų | 83.6 | 70% | 0.701 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -100.1 | -1.2 | -172.8 | -88.9 | 178.7 | 178.7 | 0 | 0 | 110.4 | K76 D82 | K76-E78 PolarHBondContact O-N 3.41Å; E78-D82 WeakPolarHBondContact O-CB 3.42Å |
| 79 | G | 38 | Very low | 37.3 | Very low | 21 Ų | 21 | 83 Ų | 83 | 22% | 0.216 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -109.5 | -34.1 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K76 P77 I83 | K76-G79 PolarHBondContact O-N 2.88Å; K76-G79 VanDerWaalsContact O-N 3.13Å; P77-G79 PolarHBondContact O-N 2.84Å; G79-I83 WeakPolarHBondContact O-CB 3.42Å; G79-I83 WeakPolarHBondContact O-CD1 3.33Å; G79-I83 WeakPolarHBondContact O-CG1 3.45Å; G79-I83 PolarHBondContact O-N 3.36Å |
| 80 | S | 37.6 | Very low | 37.1 | Very low | 47 Ų | 47 | 75.4 Ų | 75.4 | 33% | 0.329 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -84.3 | 0 | -172.4 | 9.9 | 0 | 0 | 0 | 0 | 110.8 | D82 I83 L84 | S80-D82 VanDerWaalsContact C-N 3.29Å; S80-I83 PolarHBondContact O-N 3.18Å; S80-L84 WeakPolarHBondContact O-CB 3.43Å; S80-L84 PolarHBondContact O-N 3.32Å |
| 81 | I | 36.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 76.7 Ų | 76.7 | 59% | 0.59 | 41% | 0.413 | S | S | * | . | H | α-helix | 0 | -35.8 | 0 | -69.8 | 177.2 | 0 | 0 | 0 | 109.5 | I83 L84 L85 | I81-I83 VanDerWaalsContact C-N 3.27Å; I81-I83 PolarHBondContact O-N 2.65Å; I81-L84 PolarHBondContact O-N 3.22Å; I81-L85 VanDerWaalsContact O-CB 3.3Å; I81-L85 WeakPolarHBondContact O-CB 3.09Å; I81-L85 PolarHBondContact O-N 3.03Å | |
| 82 | D | 43.4 | Very low | 36.6 | Very low | 48 Ų | 48 | 73.5 Ų | 73.5 | 26% | 0.257 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -71 | -35 | 179.6 | -79.2 | -24.7 | 0 | 0 | 0 | 111.1 | L24 E78 S80 L84 L85 Q86 | L24-D82 HydrophobicContact CD1-CB 3.52Å; L24-D82 WeakPolarHBondContact CD1-O 3.3Å; L24-D82 HydrophobicContact CD2-CB 3.74Å; L24-D82 HydrophobicContact CG-CB 4.24Å; E78-D82 WeakPolarHBondContact O-CB 3.42Å; S80-D82 VanDerWaalsContact C-N 3.29Å; D82-L84 VanDerWaalsContact C-N 3.35Å; D82-L85 PolarHBondContact O-N 2.98Å; D82-Q86 WeakPolarHBondContact O-CB 2.94Å; D82-Q86 WeakPolarHBondContact O-CG 2.77Å; D82-Q86 PolarHBondContact O-N 2.73Å |
| 83 | I | 43.6 | Very low | 36.4 | Very low | 13 Ų | 13 | 72.4 Ų | 72.4 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -71.6 | -41.6 | 179.5 | -72.3 | 173.6 | 0 | 0 | 0 | 109.1 | L20 L24 L57 G79 S80 I81 L85 Q86 I87 | L20-I83 HydrophobicContact CB-CD1 3.58Å; L20-I83 HydrophobicContact CD2-CD1 4.05Å; L20-I83 HydrophobicContact CG-CD1 4.26Å; L24-I83 HydrophobicContact CB-CG1 3.93Å; L24-I83 HydrophobicContact CD1-CB 4.46Å; L24-I83 HydrophobicContact CD1-CG1 3.85Å; L24-I83 HydrophobicContact CD2-CG1 4.31Å; L24-I83 HydrophobicContact CG-CG1 4.26Å; L57-I83 HydrophobicContact CD1-CG2 3.96Å; G79-I83 WeakPolarHBondContact O-CB 3.42Å; G79-I83 WeakPolarHBondContact O-CD1 3.33Å; G79-I83 WeakPolarHBondContact O-CG1 3.45Å; G79-I83 PolarHBondContact O-N 3.36Å; S80-I83 PolarHBondContact O-N 3.18Å; I81-I83 VanDerWaalsContact C-N 3.27Å; I81-I83 PolarHBondContact O-N 2.65Å; I83-L85 VanDerWaalsContact C-N 3.35Å; I83-Q86 PolarHBondContact O-N 3.37Å; I83-I87 HydrophobicContact CG2-CD1 3.17Å; I83-I87 HydrophobicContact CG2-CG1 3.93Å; I83-I87 WeakPolarHBondContact O-CB 3.44Å; I83-I87 VanDerWaalsContact O-CD1 3.25Å; I83-I87 WeakPolarHBondContact O-CD1 3.4Å; I83-I87 WeakPolarHBondContact O-CG1 3.49Å; I83-I87 PolarHBondContact O-N 2.76Å |
| 84 | L | 40.3 | Very low | 35.9 | Very low | 50 Ų | 50 | 76.2 Ų | 76.2 | 26% | 0.262 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 175.5 | -114 | 133.6 | 0 | 0 | 0 | 111.5 | L57 S80 I81 D82 T88 | L57-L84 HydrophobicContact CD2-CD1 4.09Å; L57-L84 HydrophobicContact CD2-CG 4.05Å; S80-L84 WeakPolarHBondContact O-CB 3.43Å; S80-L84 PolarHBondContact O-N 3.32Å; I81-L84 PolarHBondContact O-N 3.22Å; D82-L84 VanDerWaalsContact C-N 3.35Å; L84-T88 WeakPolarHBondContact O-CB 3.02Å; L84-T88 PolarHBondContact O-N 2.61Å; L84-T88 PolarHBondContact O-OG1 2.84Å |
| 85 | L | 40 | Very low | 35.7 | Very low | 70 Ų | 70 | 75.8 Ų | 75.8 | 37% | 0.366 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 179.4 | -162.8 | 107.2 | 0 | 0 | 0 | 110.4 | I81 D82 I83 R89 | I81-L85 VanDerWaalsContact O-CB 3.3Å; I81-L85 WeakPolarHBondContact O-CB 3.09Å; I81-L85 PolarHBondContact O-N 3.03Å; D82-L85 PolarHBondContact O-N 2.98Å; I83-L85 VanDerWaalsContact C-N 3.35Å; L85-R89 WeakPolarHBondContact O-CB 3.34Å; L85-R89 WeakPolarHBondContact O-CG 3.43Å; L85-R89 PolarHBondContact O-N 3.46Å |
| 86 | Q | 42 | Very low | 35.6 | Very low | 14 Ų | 14 | 80.4 Ų | 80.4 | 7% | 0.065 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -78.7 | -29.1 | -174.7 | -72.8 | -59 | -29.2 | 0 | 0 | 110.3 | L24 L27 K28 D82 I83 R89 H90 | L24-Q86 HydrophobicContact CD1-CB 4.18Å; L24-Q86 HydrophobicContact CD1-CG 3.71Å; L27-Q86 HydrophobicContact CB-CB 3.66Å; L27-Q86 HydrophobicContact CB-CG 4.27Å; L27-Q86 HydrophobicContact CD1-CB 3.68Å; L27-Q86 HydrophobicContact CG-CB 4.29Å; K28-Q86 HydrophobicContact CG-CG 4.28Å; D82-Q86 WeakPolarHBondContact O-CB 2.94Å; D82-Q86 WeakPolarHBondContact O-CG 2.77Å; D82-Q86 PolarHBondContact O-N 2.73Å; I83-Q86 PolarHBondContact O-N 3.37Å; Q86-R89 PolarHBondContact O-N 3.45Å; Q86-H90 WeakPolarHBondContact O-CA 3.44Å; Q86-H90 WeakPolarHBondContact O-CB 3.27Å; Q86-H90 PolarHBondContact O-N 3.17Å |
| 87 | I | 39.6 | Very low | 35.6 | Very low | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -75 | -39.8 | 179.1 | -73.1 | 175.6 | 0 | 0 | 0 | 108.6 | L23 L27 M54 L57 I83 R89 H90 S91 | L23-I87 HydrophobicContact CD2-CD1 4.34Å; L27-I87 HydrophobicContact CD1-CG1 3.75Å; M54-I87 HydrophobicContact CB-CG2 3.71Å; M54-I87 HydrophobicContact CG-CD1 4.5Å; M54-I87 HydrophobicContact CG-CG1 4.33Å; M54-I87 HydrophobicContact CG-CG2 3.64Å; L57-I87 HydrophobicContact CB-CD1 4.44Å; L57-I87 HydrophobicContact CB-CG2 4.44Å; L57-I87 HydrophobicContact CD1-CB 4.31Å; L57-I87 HydrophobicContact CD1-CD1 2.55Å; L57-I87 HydrophobicContact CD1-CG1 3.96Å; L57-I87 HydrophobicContact CD1-CG2 4.28Å; L57-I87 HydrophobicContact CG-CD1 4.02Å; I83-I87 HydrophobicContact CG2-CD1 3.17Å; I83-I87 HydrophobicContact CG2-CG1 3.93Å; I83-I87 WeakPolarHBondContact O-CB 3.44Å; I83-I87 VanDerWaalsContact O-CD1 3.25Å; I83-I87 WeakPolarHBondContact O-CD1 3.4Å; I83-I87 WeakPolarHBondContact O-CG1 3.49Å; I83-I87 PolarHBondContact O-N 2.76Å; I87-R89 VanDerWaalsContact C-N 3.29Å; I87-H90 PolarHBondContact O-N 3.35Å; I87-S91 WeakPolarHBondContact O-CB 3.31Å; I87-S91 PolarHBondContact O-N 3.33Å; I87-S91 PolarHBondContact O-OG 3.12Å |
| 88 | T | 36.8 | Very low | 36 | Very low | 53 Ų | 53 | 79.5 Ų | 79.5 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -62.5 | -37.8 | 173.7 | -49.6 | 0 | 0 | 0 | 0 | 111.1 | M58 L84 C92 | M58-T88 HydrophobicContact CE-CG2 4Å; M58-T88 HydrophobicContact SD-CG2 3.95Å; L84-T88 WeakPolarHBondContact O-CB 3.02Å; L84-T88 PolarHBondContact O-N 2.61Å; L84-T88 PolarHBondContact O-OG1 2.84Å; T88-C92 WeakPolarHBondContact O-CB 3.31Å; T88-C92 PolarHBondContact O-N 1.51Å; T88-C92 PolarHBondContact O-SG 3.35Å |
| 89 | R | 37.8 | Very low | 36.1 | Very low | 115 Ų | 115 | 74 Ų | 74 | 43% | 0.434 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -76 | 0 | 179.9 | -76.7 | 179.2 | 177.8 | 171.6 | 1.4 | 110.7 | L85 Q86 I87 T93 | L85-R89 WeakPolarHBondContact O-CB 3.34Å; L85-R89 WeakPolarHBondContact O-CG 3.43Å; L85-R89 PolarHBondContact O-N 3.46Å; Q86-R89 PolarHBondContact O-N 3.45Å; I87-R89 VanDerWaalsContact C-N 3.29Å; R89-T93 WeakPolarHBondContact O-CG2 1.78Å |
| 90 | H | 36.3 | Very low | 36.3 | Very low | 12 Ų | 12 | 76.4 Ų | 76.4 | 6% | 0.056 | 37% | 0.374 | C | S | . | . | H | α-helix | 0 | -40.1 | 0 | -178.9 | -85.1 | 0 | 0 | 0 | 110.2 | L27 F33 L38 M54 Q86 I87 C92 T93 | L27-H90 HydrophobicContact CD2-CB 3.36Å; L27-H90 WeakPolarHBondContact CD2-CD2 3.21Å; F33-H90 PolarHBondContact O-CE1 2.53Å; F33-H90 PolarHBondContact O-NE2 3.42Å; L38-H90 VanDerWaalsContact CD1-NE2 3.29Å; L38-H90 WeakPolarHBondContact CD1-NE2 3.37Å; M54-H90 WeakPolarHBondContact CE-ND1 3.41Å; Q86-H90 WeakPolarHBondContact O-CA 3.44Å; Q86-H90 WeakPolarHBondContact O-CB 3.27Å; Q86-H90 PolarHBondContact O-N 3.17Å; I87-H90 PolarHBondContact O-N 3.35Å; H90-C92 PolarHBondContact O-N 3.04Å; H90-T93 WeakPolarHBondContact O-CB 3.36Å; H90-T93 WeakPolarHBondContact O-CG2 2.78Å; H90-T93 PolarHBondContact O-N 3.41Å; H90-T93 PolarHBondContact O-OG1 3.07Å | |
| 91 | S | 33.4 | Very low | 36.3 | Very low | 55 Ų | 55 | 74.7 Ų | 74.7 | 39% | 0.385 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -79.2 | -14 | -177 | -55 | 0 | 0 | 0 | 0 | 110.7 | I87 T93 | I87-S91 WeakPolarHBondContact O-CB 3.31Å; I87-S91 PolarHBondContact O-N 3.33Å; I87-S91 PolarHBondContact O-OG 3.12Å; S91-T93 PolarHBondContact O-N 3.39Å |
| 92 | C | 29.7 | Very low | 36.5 | Very low | 62 Ų | 62 | 72 Ų | 72 | 42% | 0.419 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 0 | 177.8 | -74.8 | 0 | 0 | 0 | 0 | 110 | T88 H90 E94 | T88-C92 WeakPolarHBondContact O-CB 3.31Å; T88-C92 PolarHBondContact O-N 1.51Å; T88-C92 PolarHBondContact O-SG 3.35Å; H90-C92 PolarHBondContact O-N 3.04Å; C92-E94 PolarHBondContact O-N 3.38Å |
| 93 | T | 29.5 | Very low | 36.6 | Very low | 72 Ų | 72 | 70 Ų | 70 | 44% | 0.442 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 42.3 | 0 | 0 | 0 | 0 | 109.2 | R31 R89 H90 S91 | R31-T93 WeakPolarHBondContact O-CG2 2.58Å; R89-T93 WeakPolarHBondContact O-CG2 1.78Å; H90-T93 WeakPolarHBondContact O-CB 3.36Å; H90-T93 WeakPolarHBondContact O-CG2 2.78Å; H90-T93 PolarHBondContact O-N 3.41Å; H90-T93 PolarHBondContact O-OG1 3.07Å; S91-T93 PolarHBondContact O-N 3.39Å | |
| 94 | E | 27 | Very low | 36.6 | Very low | 164 Ų | 164 | 73.4 Ų | 73.4 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -84.9 | -171.1 | 175.6 | 0 | 0 | 109.7 | C92 | C92-E94 PolarHBondContact O-N 3.38Š| |
| 95 | Y | 28.8 | Very low | 36.8 | Very low | 199 Ų | 199 | 73.6 Ų | 73.6 | 78% | 0.78 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -86.8 | -85.2 | 0 | 0 | 0 | 109.8 | |||
| 96 | Y | 30.4 | Very low | 37.1 | Very low | 151 Ų | 151 | 71.3 Ų | 71.3 | 59% | 0.592 | 35% | 0.345 | S | S | * | . | 0 | 62.2 | 0 | -140.4 | -98 | 0 | 0 | 0 | 109.4 | Y98 A101 | Y96-Y98 VanDerWaalsContact C-N 3.33Å; Y96-Y98 PolarHBondContact O-N 3.03Å; Y96-A101 HydrophobicContact CD1-CB 3.62Å; Y96-A101 HydrophobicContact CE1-CB 3.19Å | |||
| 97 | N | 34.5 | Very low | 37.7 | Very low | 86 Ų | 86 | 73.6 Ų | 73.6 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | trans | -51.7 | 89.9 | 165.3 | -174.4 | -9.3 | 0 | 0 | 0 | 111.8 | S99 M100 A101 | N97-S99 WeakPolarHBondContact ND2-CB 3.24Å; N97-S99 CarbonylContact O-C 3.5Å; N97-S99 WeakPolarHBondContact O-CA 3.3Å; N97-S99 PolarHBondContact O-N 3.38Å; N97-S99 VanDerWaalsContact OD1-CA 3.3Å; N97-S99 WeakPolarHBondContact OD1-CA 3.25Å; N97-S99 WeakPolarHBondContact OD1-CB 2.94Å; N97-S99 PolarHBondContact OD1-N 3.15Å; N97-S99 PolarHBondContact OD1-OG 3.08Å; N97-M100 HydrophobicContact CB-CB 3.62Å; N97-M100 HydrophobicContact CB-CG 3.32Å; N97-M100 CarbonylContact O-C 3.27Å; N97-M100 WeakPolarHBondContact O-CA 3.3Å; N97-M100 VanDerWaalsContact O-CB 3.26Å; N97-M100 WeakPolarHBondContact O-CB 3.44Å; N97-M100 PolarHBondContact O-N 2.49Å; N97-A101 PolarHBondContact O-N 3.48Å | ||
| 98 | Y | 35.7 | Very low | 38.2 | Very low | 173 Ų | 173 | 80.7 Ų | 80.7 | 68% | 0.678 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -16 | -39.6 | 171.3 | -171.7 | -98.9 | 0 | 0 | 0 | 111.3 | Y96 M100 A101 L102 | Y96-Y98 VanDerWaalsContact C-N 3.33Å; Y96-Y98 PolarHBondContact O-N 3.03Å; Y98-M100 VanDerWaalsContact C-N 3.3Å; Y98-A101 PolarHBondContact O-N 3.37Å; Y98-L102 HydrophobicContact CE1-CD2 4.43Å; Y98-L102 WeakPolarHBondContact O-CB 3.45Å; Y98-L102 PolarHBondContact O-N 3.11Å |
| 99 | S | 37.4 | Very low | 38.7 | Very low | 33 Ų | 33 | 78.9 Ų | 78.9 | 23% | 0.231 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 178.5 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | N97 N103 V143 C144 | N97-S99 WeakPolarHBondContact ND2-CB 3.24Å; N97-S99 CarbonylContact O-C 3.5Å; N97-S99 WeakPolarHBondContact O-CA 3.3Å; N97-S99 PolarHBondContact O-N 3.38Å; N97-S99 VanDerWaalsContact OD1-CA 3.3Å; N97-S99 WeakPolarHBondContact OD1-CA 3.25Å; N97-S99 WeakPolarHBondContact OD1-CB 2.94Å; N97-S99 PolarHBondContact OD1-N 3.15Å; N97-S99 PolarHBondContact OD1-OG 3.08Å; S99-N103 WeakPolarHBondContact O-CA 3.41Å; S99-N103 WeakPolarHBondContact O-CB 3.48Å; S99-N103 PolarHBondContact O-N 2.81Å; S99-V143 VanDerWaalsContact CB-O 3.23Å; S99-V143 WeakPolarHBondContact CB-O 3.24Å; S99-V143 WeakPolarHBondContact O-CG1 0.16Å; S99-V143 PolarHBondContact OG-O 3.13Å; S99-C144 PolarHBondContact O-SG 3.43Å |
| 100 | M | 41.2 | Very low | 39.8 | Very low | 72 Ų | 72 | 73.4 Ų | 73.4 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -74.5 | -37.8 | 176.8 | -74.3 | -63.8 | -68.8 | 0 | 0 | 111.2 | N97 Y98 N103 E104 | N97-M100 HydrophobicContact CB-CB 3.62Å; N97-M100 HydrophobicContact CB-CG 3.32Å; N97-M100 CarbonylContact O-C 3.27Å; N97-M100 WeakPolarHBondContact O-CA 3.3Å; N97-M100 VanDerWaalsContact O-CB 3.26Å; N97-M100 WeakPolarHBondContact O-CB 3.44Å; N97-M100 PolarHBondContact O-N 2.49Å; Y98-M100 VanDerWaalsContact C-N 3.3Å; M100-N103 WeakPolarHBondContact O-CB 3.4Å; M100-N103 PolarHBondContact O-N 3.49Å; M100-E104 WeakPolarHBondContact O-CB 3.06Å; M100-E104 VanDerWaalsContact O-CG 3.22Å; M100-E104 WeakPolarHBondContact O-CG 3.08Å; M100-E104 PolarHBondContact O-N 3.39Å |
| 101 | A | 38.6 | Very low | 41.1 | Very low | 11 Ų | 11 | 76.8 Ų | 76.8 | 9% | 0.091 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.3 | -47.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y96 N97 Y98 N103 E104 V105 | Y96-A101 HydrophobicContact CD1-CB 3.62Å; Y96-A101 HydrophobicContact CE1-CB 3.19Å; N97-A101 PolarHBondContact O-N 3.48Å; Y98-A101 PolarHBondContact O-N 3.37Å; A101-N103 PolarHBondContact O-N 2.84Å; A101-E104 PolarHBondContact O-N 3.17Å; A101-V105 WeakPolarHBondContact O-CG2 3.11Å; A101-V105 PolarHBondContact O-N 3.19Å |
| 102 | L | 40.5 | Very low | 42.1 | Very low | 58 Ų | 58 | 78.4 Ų | 78.4 | 30% | 0.304 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 175.4 | -168.9 | 66.3 | 0 | 0 | 0 | 111.1 | Y98 E104 V105 L106 V143 | Y98-L102 HydrophobicContact CE1-CD2 4.43Å; Y98-L102 WeakPolarHBondContact O-CB 3.45Å; Y98-L102 PolarHBondContact O-N 3.11Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.3Å; L102-V105 PolarHBondContact O-N 3.27Å; L102-L106 HydrophobicContact CD2-CD1 4.44Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.34Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.18Å; L102-L106 WeakPolarHBondContact O-CD1 3.19Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 2.68Å; L102-V143 HydrophobicContact CB-CG1 3.79Å; L102-V143 HydrophobicContact CD2-CB 3.76Å; L102-V143 HydrophobicContact CD2-CG1 3.3Å; L102-V143 HydrophobicContact CD2-CG2 3.14Å; L102-V143 HydrophobicContact CG-CB 4.4Å; L102-V143 HydrophobicContact CG-CG1 3.98Å; L102-V143 HydrophobicContact CG-CG2 4.04Å |
| 103 | N | 45 | Very low | 43.4 | Very low | 7 Ų | 7 | 76.3 Ų | 76.3 | 4% | 0.037 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 174.7 | 176.4 | 42.5 | 0 | 0 | 0 | 110.8 | S99 M100 A101 V105 L106 Q107 S140 C144 K146 | S99-N103 WeakPolarHBondContact O-CA 3.41Å; S99-N103 WeakPolarHBondContact O-CB 3.48Å; S99-N103 PolarHBondContact O-N 2.81Å; M100-N103 WeakPolarHBondContact O-CB 3.4Å; M100-N103 PolarHBondContact O-N 3.49Å; A101-N103 PolarHBondContact O-N 2.84Å; N103-V105 PolarHBondContact O-N 2.88Å; N103-L106 PolarHBondContact O-N 2.89Å; N103-Q107 VanDerWaalsContact O-CB 3.29Å; N103-Q107 WeakPolarHBondContact O-CB 3.21Å; N103-Q107 VanDerWaalsContact O-CG 3.26Å; N103-Q107 WeakPolarHBondContact O-CG 3.04Å; N103-Q107 PolarHBondContact O-N 3.24Å; N103-Q107 WeakPolarHBondContact OD1-CG 3.37Å; N103-S140 PolarHBondContact O-OG 3.12Å; N103-S140 WeakPolarHBondContact OD1-CB 2.07Å; N103-S140 PolarHBondContact OD1-OG 3.32Å; N103-C144 HydrophobicContact CB-CB 4.29Å; N103-C144 WeakPolarHBondContact CB-SG 1.55Å; N103-C144 PolarHBondContact ND2-SG 3.23Å; N103-C144 VanDerWaalsContact ND2-SG 3.37Å; N103-K146 PolarHBondContact ND2-NZ 3.3Å |
| 104 | E | 44.8 | Very low | 45.1 | Very low | 85 Ų | 85 | 73.9 Ų | 73.9 | 40% | 0.397 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62.3 | -36.9 | -178 | -81.8 | -175.8 | 175.8 | 0 | 0 | 111 | M100 A101 L102 L106 Q107 R108 | M100-E104 WeakPolarHBondContact O-CB 3.06Å; M100-E104 VanDerWaalsContact O-CG 3.22Å; M100-E104 WeakPolarHBondContact O-CG 3.08Å; M100-E104 PolarHBondContact O-N 3.39Å; A101-E104 PolarHBondContact O-N 3.17Å; L102-E104 VanDerWaalsContact C-N 3.31Å; L102-E104 PolarHBondContact O-N 3.3Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-Q107 PolarHBondContact O-N 3.4Å; E104-R108 WeakPolarHBondContact O-CB 3.25Å; E104-R108 WeakPolarHBondContact O-CG 2.82Å; E104-R108 PolarHBondContact O-N 2.8Å |
| 105 | V | 43.2 | Very low | 46.9 | Very low | 53 Ų | 53 | 69 Ų | 69 | 32% | 0.321 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 179.5 | 171.4 | 0 | 0 | 0 | 0 | 109.9 | A101 L102 N103 Q107 R108 A109 | A101-V105 WeakPolarHBondContact O-CG2 3.11Å; A101-V105 PolarHBondContact O-N 3.19Å; L102-V105 PolarHBondContact O-N 3.27Å; N103-V105 PolarHBondContact O-N 2.88Å; V105-Q107 PolarHBondContact O-N 3.41Å; V105-R108 PolarHBondContact O-N 2.95Å; V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 3.46Å |
| 106 | L | 46.1 | Very low | 48.2 | Very low | 22 Ų | 22 | 61.9 Ų | 61.9 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -69.2 | -34.1 | -177 | -73.7 | 172.2 | 0 | 0 | 0 | 110.2 | L102 N103 E104 A109 S110 Y136 F139 S140 V143 | L102-L106 HydrophobicContact CD2-CD1 4.44Å; L102-L106 HydrophobicContact CG-CD1 3.87Å; L102-L106 HydrophobicContact CG-CG 4.34Å; L102-L106 VanDerWaalsContact O-CB 3.27Å; L102-L106 WeakPolarHBondContact O-CB 3.18Å; L102-L106 WeakPolarHBondContact O-CD1 3.19Å; L102-L106 WeakPolarHBondContact O-CG 3.26Å; L102-L106 PolarHBondContact O-N 2.68Å; N103-L106 PolarHBondContact O-N 2.89Å; E104-L106 VanDerWaalsContact C-N 3.32Å; L106-A109 PolarHBondContact O-N 3.33Å; L106-S110 WeakPolarHBondContact O-CB 3.15Å; L106-S110 PolarHBondContact O-N 3.32Å; L106-Y136 HydrophobicContact CD2-CD1 3.81Å; L106-Y136 WeakPolarHBondContact O-CB 3.41Å; L106-F139 HydrophobicContact CD1-CB 3.57Å; L106-F139 HydrophobicContact CD2-CB 4.16Å; L106-F139 HydrophobicContact CG-CB 4.47Å; L106-S140 VanDerWaalsContact CB-CB 3.48Å; L106-S140 VanDerWaalsContact CD1-CA 3.41Å; L106-S140 VanDerWaalsContact CD1-N 3.31Å; L106-V143 HydrophobicContact CD1-CG2 4.12Å |
| 107 | Q | 55.8 | Low | 49.3 | Very low | 62 Ų | 62 | 55.2 Ų | 55.2 | 29% | 0.29 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 178.8 | -81.2 | -66.7 | -20.1 | 0 | 0 | 110.1 | N103 E104 V105 A109 S110 T111 S140 | N103-Q107 VanDerWaalsContact O-CB 3.29Å; N103-Q107 WeakPolarHBondContact O-CB 3.21Å; N103-Q107 VanDerWaalsContact O-CG 3.26Å; N103-Q107 WeakPolarHBondContact O-CG 3.04Å; N103-Q107 PolarHBondContact O-N 3.24Å; N103-Q107 WeakPolarHBondContact OD1-CG 3.37Å; E104-Q107 PolarHBondContact O-N 3.4Å; V105-Q107 PolarHBondContact O-N 3.41Å; Q107-A109 VanDerWaalsContact C-N 3.3Å; Q107-S110 WeakPolarHBondContact O-CB 3.2Å; Q107-S110 PolarHBondContact O-N 3.1Å; Q107-T111 PolarHBondContact O-N 3.16Å; Q107-T111 PolarHBondContact O-OG1 3.44Å; Q107-S140 VanDerWaalsContact CG-OG 3.26Å; Q107-S140 WeakPolarHBondContact CG-OG 2.43Å; Q107-S140 PolarHBondContact NE2-OG 2.83Å |
| 108 | R | 49.5 | Very low | 50.4 | Low | 150 Ų | 150 | 59.5 Ų | 59.5 | 57% | 0.566 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67.3 | -40 | 177.6 | -77.2 | -173.2 | -176.5 | 161.7 | 0.5 | 111.4 | E104 V105 S110 T111 W112 | E104-R108 WeakPolarHBondContact O-CB 3.25Å; E104-R108 WeakPolarHBondContact O-CG 2.82Å; E104-R108 PolarHBondContact O-N 2.8Å; V105-R108 PolarHBondContact O-N 2.95Å; R108-S110 PolarHBondContact O-N 3.27Å; R108-T111 PolarHBondContact O-N 2.87Å; R108-W112 VanDerWaalsContact O-CB 3.27Å; R108-W112 WeakPolarHBondContact O-CB 3.4Å; R108-W112 PolarHBondContact O-N 3.47Å |
| 109 | A | 48 | Very low | 51.4 | Low | 15 Ų | 15 | 57.1 Ų | 57.1 | 12% | 0.124 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.2 | -34.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | V105 L106 Q107 E113 Y136 | V105-A109 WeakPolarHBondContact O-CB 3.39Å; V105-A109 PolarHBondContact O-N 3.46Å; L106-A109 PolarHBondContact O-N 3.33Å; Q107-A109 VanDerWaalsContact C-N 3.3Å; A109-E113 VanDerWaalsContact O-CB 3.23Å; A109-E113 WeakPolarHBondContact O-CB 2.28Å; A109-E113 PolarHBondContact O-N 3.26Å; A109-Y136 HydrophobicContact CB-CD1 4.4Å; A109-Y136 HydrophobicContact CB-CD2 3.91Å; A109-Y136 HydrophobicContact CB-CE2 4.14Å; A109-Y136 HydrophobicContact CB-CG 4.05Å |
| 110 | S | 60.3 | Low | 52.1 | Low | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.6 | -47.5 | 178.4 | 161.8 | 0 | 0 | 0 | 0 | 110.7 | L106 Q107 R108 W112 E113 S114 A133 R137 | L106-S110 WeakPolarHBondContact O-CB 3.15Å; L106-S110 PolarHBondContact O-N 3.32Å; Q107-S110 WeakPolarHBondContact O-CB 3.2Å; Q107-S110 PolarHBondContact O-N 3.1Å; R108-S110 PolarHBondContact O-N 3.27Å; S110-W112 PolarHBondContact O-N 3.24Å; S110-E113 PolarHBondContact O-N 3.31Å; S110-S114 WeakPolarHBondContact O-CB 3.49Å; S110-S114 PolarHBondContact O-N 2.94Å; S110-S114 PolarHBondContact O-OG 3.5Å; S110-A133 WeakPolarHBondContact O-CB 3.5Å; S110-A133 PolarHBondContact OG-O 3.26Å; S110-R137 VanDerWaalsContact CB-CG 3.43Å; S110-R137 VanDerWaalsContact OG-CD 3.27Å; S110-R137 WeakPolarHBondContact OG-CD 3.47Å; S110-R137 WeakPolarHBondContact OG-CG 3.39Å; S110-R137 PolarHBondContact OG-NE 3.45Å |
| 111 | T | 64.1 | Low | 52.5 | Low | 82 Ų | 82 | 59.5 Ų | 59.5 | 50% | 0.503 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | -178.9 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | Q107 R108 S114 V115 | Q107-T111 PolarHBondContact O-N 3.16Å; Q107-T111 PolarHBondContact O-OG1 3.44Å; R108-T111 PolarHBondContact O-N 2.87Å; T111-S114 PolarHBondContact O-N 2.89Å; T111-V115 WeakPolarHBondContact O-CG2 3.1Å; T111-V115 PolarHBondContact O-N 3.24Å |
| 112 | W | 53.9 | Low | 53.1 | Low | 90 Ų | 90 | 67.9 Ų | 67.9 | 34% | 0.341 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.2 | -51.1 | -179.8 | -172 | 79.8 | 0 | 0 | 0 | 111.3 | R108 S110 S114 V115 E116 Q215 S218 | R108-W112 VanDerWaalsContact O-CB 3.27Å; R108-W112 WeakPolarHBondContact O-CB 3.4Å; R108-W112 PolarHBondContact O-N 3.47Å; S110-W112 PolarHBondContact O-N 3.24Å; W112-S114 PolarHBondContact O-N 3.05Å; W112-V115 PolarHBondContact O-N 3.28Å; W112-V115 VanDerWaalsContact O-N 3.15Å; W112-E116 HydrophobicContact CD2-CG 3.85Å; W112-E116 HydrophobicContact CE3-CG 4.15Å; W112-E116 HydrophobicContact CG-CG 4.48Å; W112-E116 HydrophobicContact CH2-CG 3.86Å; W112-E116 HydrophobicContact CZ2-CG 3.6Å; W112-E116 HydrophobicContact CZ3-CG 4.13Å; W112-E116 WeakPolarHBondContact O-CB 3.07Å; W112-E116 WeakPolarHBondContact O-CG 3.49Å; W112-E116 PolarHBondContact O-N 2.89Å; W112-Q215 HydrophobicContact CZ3-CG 4.36Å; W112-S218 WeakPolarHBondContact CH2-OG 3.49Å |
| 113 | E | 58.2 | Low | 53.6 | Low | 18 Ų | 18 | 76.2 Ų | 76.2 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -56.1 | -38.2 | 178.3 | -164.8 | -96 | 168.7 | 0 | 0 | 111.2 | A109 S110 V115 E116 C117 Y129 Y132 A133 | A109-E113 VanDerWaalsContact O-CB 3.23Å; A109-E113 WeakPolarHBondContact O-CB 2.28Å; A109-E113 PolarHBondContact O-N 3.26Å; S110-E113 PolarHBondContact O-N 3.31Å; E113-V115 VanDerWaalsContact C-N 3.29Å; E113-V115 PolarHBondContact O-N 2.49Å; E113-E116 PolarHBondContact O-N 3.02Å; E113-C117 WeakPolarHBondContact O-CB 3.43Å; E113-C117 PolarHBondContact O-N 3.44Å; E113-C117 PolarHBondContact O-SG 2.76Å; E113-C117 PolarHBondContact OE1-SG 3.17Å; E113-Y129 PolarHBondContact O-OH 3.05Å; E113-Y129 PolarHBondContact OE1-OH 3.38Å; E113-Y129 PolarHBondContact OE2-OH 3.46Å; E113-Y132 PolarHBondContact OE1-N 3.37Å; E113-A133 HydrophobicContact CB-CB 3.97Å; E113-A133 VanDerWaalsContact CD-CB 3.47Å; E113-A133 HydrophobicContact CG-CB 4.28Å; E113-A133 WeakPolarHBondContact OE2-CA 3.45Å; E113-A133 WeakPolarHBondContact OE2-CB 2.22Å; E113-A133 PolarHBondContact OE2-N 2.32Å |
| 114 | S | 63.9 | Low | 53.6 | Low | 20 Ų | 20 | 81.8 Ų | 81.8 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -64.9 | -37.3 | -179.9 | -71 | 0 | 0 | 0 | 0 | 110.6 | S110 T111 W112 R118 A133 R137 | S110-S114 WeakPolarHBondContact O-CB 3.49Å; S110-S114 PolarHBondContact O-N 2.94Å; S110-S114 PolarHBondContact O-OG 3.5Å; T111-S114 PolarHBondContact O-N 2.89Å; W112-S114 PolarHBondContact O-N 3.05Å; S114-R118 WeakPolarHBondContact O-CG 3.07Å; S114-R118 PolarHBondContact O-N 3.49Å; S114-R118 VanDerWaalsContact O-N 3.12Å; S114-A133 VanDerWaalsContact OG-CB 3.3Å; S114-A133 WeakPolarHBondContact OG-CB 3.18Å; S114-R137 PolarHBondContact OG-NH2 2.83Å |
| 115 | V | 65.2 | Low | 53.7 | Low | 63 Ų | 63 | 82.4 Ų | 82.4 | 38% | 0.382 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -74.3 | -40.9 | -178.1 | 171.9 | 0 | 0 | 0 | 0 | 109.3 | T111 W112 E113 C117 R118 K119 | T111-V115 WeakPolarHBondContact O-CG2 3.1Å; T111-V115 PolarHBondContact O-N 3.24Å; W112-V115 PolarHBondContact O-N 3.28Å; W112-V115 VanDerWaalsContact O-N 3.15Å; E113-V115 VanDerWaalsContact C-N 3.29Å; E113-V115 PolarHBondContact O-N 2.49Å; V115-C117 VanDerWaalsContact C-N 3.28Å; V115-R118 PolarHBondContact O-N 2.63Å; V115-K119 WeakPolarHBondContact O-CG 2.76Å; V115-K119 PolarHBondContact O-N 2.82Å; V115-K119 VanDerWaalsContact O-N 3.12Å |
| 116 | E | 56.9 | Low | 53.7 | Low | 49 Ų | 49 | 85 Ų | 85 | 23% | 0.229 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69 | -37 | 179.7 | -76.9 | -65 | 145.2 | 0 | 0 | 111.6 | W112 E113 R118 K119 I120 | W112-E116 HydrophobicContact CD2-CG 3.85Å; W112-E116 HydrophobicContact CE3-CG 4.15Å; W112-E116 HydrophobicContact CG-CG 4.48Å; W112-E116 HydrophobicContact CH2-CG 3.86Å; W112-E116 HydrophobicContact CZ2-CG 3.6Å; W112-E116 HydrophobicContact CZ3-CG 4.13Å; W112-E116 WeakPolarHBondContact O-CB 3.07Å; W112-E116 WeakPolarHBondContact O-CG 3.49Å; W112-E116 PolarHBondContact O-N 2.89Å; E113-E116 PolarHBondContact O-N 3.02Å; E116-R118 PolarHBondContact O-N 3.36Å; E116-K119 WeakPolarHBondContact O-CB 2.69Å; E116-K119 PolarHBondContact O-N 2.98Å; E116-I120 WeakPolarHBondContact O-CG1 3.4Å; E116-I120 PolarHBondContact O-N 3.4Å |
| 117 | C | 53.2 | Low | 53.2 | Low | 10 Ų | 10 | 89.8 Ų | 89.8 | 7% | 0.068 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 178.3 | -79.5 | 0 | 0 | 0 | 0 | 110.1 | E113 V115 K119 I120 N121 Y129 | E113-C117 WeakPolarHBondContact O-CB 3.43Å; E113-C117 PolarHBondContact O-N 3.44Å; E113-C117 PolarHBondContact O-SG 2.76Å; E113-C117 PolarHBondContact OE1-SG 3.17Å; V115-C117 VanDerWaalsContact C-N 3.28Å; C117-K119 PolarHBondContact O-N 3.48Å; C117-I120 PolarHBondContact O-N 3.21Å; C117-N121 WeakPolarHBondContact O-CB 3.45Å; C117-N121 PolarHBondContact O-N 3.39Å; C117-Y129 HydrophobicContact CB-CE1 3.68Å; C117-Y129 HydrophobicContact CB-CE2 3.79Å; C117-Y129 WeakPolarHBondContact CB-OH 2.99Å; C117-Y129 WeakPolarHBondContact SG-CE1 3.29Å; C117-Y129 WeakPolarHBondContact SG-CE2 3.37Å; C117-Y129 CovalentContact SG-OH 0.8Å; C117-Y129 PolarHBondContact SG-OH 3.45Å |
| 118 | R | 56.5 | Low | 52.6 | Low | 177 Ų | 177 | 92.9 Ų | 92.9 | 67% | 0.668 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -68.6 | -28.7 | 178.3 | -77.7 | -172.8 | -154.6 | 175.6 | 0.5 | 110.8 | S114 V115 E116 K122 | S114-R118 WeakPolarHBondContact O-CG 3.07Å; S114-R118 PolarHBondContact O-N 3.49Å; S114-R118 VanDerWaalsContact O-N 3.12Å; V115-R118 PolarHBondContact O-N 2.63Å; E116-R118 PolarHBondContact O-N 3.36Å; R118-K122 WeakPolarHBondContact O-CG 3Å; R118-K122 PolarHBondContact O-N 3Å |
| 119 | K | 58 | Low | 52.4 | Low | 122 Ų | 122 | 88.8 Ų | 88.8 | 53% | 0.53 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -77 | -32.4 | 178.5 | -73.3 | -178.1 | -176 | 177.5 | 0 | 111.2 | V115 E116 C117 | V115-K119 WeakPolarHBondContact O-CG 2.76Å; V115-K119 PolarHBondContact O-N 2.82Å; V115-K119 VanDerWaalsContact O-N 3.12Å; E116-K119 WeakPolarHBondContact O-CB 2.69Å; E116-K119 PolarHBondContact O-N 2.98Å; C117-K119 PolarHBondContact O-N 3.48Å |
| 120 | I | 50.8 | Low | 52.3 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 43% | 0.426 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -83.8 | 0 | -175.9 | -67.3 | 171.7 | 0 | 0 | 0 | 109 | E116 C117 K122 R123 D124 | E116-I120 WeakPolarHBondContact O-CG1 3.4Å; E116-I120 PolarHBondContact O-N 3.4Å; C117-I120 PolarHBondContact O-N 3.21Å; I120-K122 PolarHBondContact O-N 3.15Å; I120-R123 PolarHBondContact O-N 3.46Å; I120-D124 PolarHBondContact O-N 3.22Å |
| 121 | N | 49.2 | Very low | 52.2 | Low | 73 Ų | 73 | 91 Ų | 91 | 39% | 0.39 | 45% | 0.446 | S | S | . | . | H | α-helix | 0 | 0 | 0 | -94 | -16.1 | 0 | 0 | 0 | 110.6 | C117 | C117-N121 WeakPolarHBondContact O-CB 3.45Å; C117-N121 PolarHBondContact O-N 3.39Å | |
| 122 | K | 51.6 | Low | 51.8 | Low | 187 Ų | 187 | 92.2 Ų | 92.2 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | H | α-helix | 0 | -20.5 | 0 | -80.7 | -173.5 | -177 | 179.6 | 0 | 110.8 | R118 I120 | R118-K122 WeakPolarHBondContact O-CG 3Å; R118-K122 PolarHBondContact O-N 3Å; I120-K122 PolarHBondContact O-N 3.15Å | |
| 123 | R | 51.7 | Low | 52.1 | Low | 232 Ų | 232 | 88.1 Ų | 88.1 | 88% | 0.875 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -107.8 | 0 | -172 | -86.2 | -175 | -172.3 | -179.3 | 0.4 | 110.5 | I120 | I120-R123 PolarHBondContact O-N 3.46Å |
| 124 | D | 45.6 | Very low | 52.2 | Low | 124 Ų | 124 | 90 Ų | 90 | 66% | 0.663 | 44% | 0.436 | S | S | * | . | 0 | 89.5 | 0 | -138.5 | -14.1 | 0 | 0 | 0 | 109.1 | I120 D126 | I120-D124 PolarHBondContact O-N 3.22Å; D124-D126 PolarHBondContact O-N 2.99Å | |||
| 125 | P | 46.5 | Very low | 51.8 | Low | 99 Ų | 99 | 90 Ų | 90 | 64% | 0.643 | 44% | 0.436 | S | S | * | . | trans | -56.6 | 92.6 | -177.8 | 11.3 | -8.9 | 0 | 0 | 0 | 111.7 | ||||
| 126 | D | 42.8 | Very low | 51.3 | Low | 108 Ų | 108 | 89.2 Ų | 89.2 | 58% | 0.578 | 43% | 0.426 | S | S | * | . | trans | -63.3 | 0 | 169.6 | -124 | -16.1 | 0 | 0 | 0 | 110.4 | D124 I128 | D124-D126 PolarHBondContact O-N 2.99Å; D126-I128 PolarHBondContact O-N 3.29Å | ||
| 127 | P | 36.3 | Very low | 51.6 | Low | 121 Ų | 121 | 91.2 Ų | 91.2 | 79% | 0.786 | 43% | 0.432 | S | S | * | . | S | Bend | 0 | -1.2 | 0 | 10.8 | -10.9 | 0 | 0 | 0 | 111.8 | |||
| 128 | I | 42.2 | Very low | 51.7 | Low | 127 Ų | 127 | 91.4 Ų | 91.4 | 65% | 0.651 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -140.6 | 50 | -178.1 | -62.8 | 173.4 | 0 | 0 | 0 | 108.2 | D126 | D126-I128 PolarHBondContact O-N 3.29Š|
| 129 | Y | 44.7 | Very low | 51.5 | Low | 64 Ų | 64 | 85.6 Ų | 85.6 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | trans | -81.3 | 111 | 179.8 | 179.1 | -102.7 | 0 | 0 | 0 | 109.7 | E113 C117 P131 L154 | E113-Y129 PolarHBondContact O-OH 3.05Å; E113-Y129 PolarHBondContact OE1-OH 3.38Å; E113-Y129 PolarHBondContact OE2-OH 3.46Å; C117-Y129 HydrophobicContact CB-CE1 3.68Å; C117-Y129 HydrophobicContact CB-CE2 3.79Å; C117-Y129 WeakPolarHBondContact CB-OH 2.99Å; C117-Y129 WeakPolarHBondContact SG-CE1 3.29Å; C117-Y129 WeakPolarHBondContact SG-CE2 3.37Å; C117-Y129 CovalentContact SG-OH 0.8Å; C117-Y129 PolarHBondContact SG-OH 3.45Å; Y129-P131 HydrophobicContact CE1-CB 4.45Å; Y129-P131 WeakPolarHBondContact O-CD 2.82Å; Y129-L154 VanDerWaalsContact O-CD2 3.28Å; Y129-L154 WeakPolarHBondContact O-CD2 3.26Å | ||
| 130 | L | 47.1 | Very low | 51.2 | Low | 46 Ų | 46 | 79.8 Ų | 79.8 | 24% | 0.241 | 39% | 0.386 | C | S | . | . | trans | -77.5 | 113.9 | 173.4 | -106.1 | 114.7 | 0 | 0 | 0 | 110.3 | Y132 L154 A158 | L130-Y132 HydrophobicContact CB-CD2 4.33Å; L130-Y132 HydrophobicContact CB-CE2 3.97Å; L130-Y132 WeakPolarHBondContact O-CD2 3.33Å; L130-Y132 PolarHBondContact O-N 3.25Å; L130-L154 HydrophobicContact CB-CD2 3.7Å; L130-L154 HydrophobicContact CD1-CD2 3.62Å; L130-L154 HydrophobicContact CD1-CG 4.47Å; L130-L154 HydrophobicContact CD2-CD2 4.16Å; L130-L154 HydrophobicContact CG-CD2 3.04Å; L130-L154 HydrophobicContact CG-CG 4.04Å; L130-A158 HydrophobicContact CD2-CB 3.58Å | ||
| 131 | P | 57.5 | Low | 51.2 | Low | 17 Ų | 17 | 76.3 Ų | 76.3 | 11% | 0.11 | 37% | 0.369 | C | S | . | . | trans | -70.9 | 74.2 | -175.6 | 22.7 | -20 | 0 | 0 | 0 | 111.7 | Y129 A133 Q134 V135 S152 S155 | Y129-P131 HydrophobicContact CE1-CB 4.45Å; Y129-P131 WeakPolarHBondContact O-CD 2.82Å; P131-A133 PolarHBondContact O-N 3.23Å; P131-Q134 HydrophobicContact CB-CB 4.15Å; P131-Q134 HydrophobicContact CB-CG 3.77Å; P131-Q134 HydrophobicContact CG-CB 4.39Å; P131-Q134 HydrophobicContact CG-CG 4.24Å; P131-Q134 WeakPolarHBondContact O-CA 3.32Å; P131-Q134 WeakPolarHBondContact O-CB 3.37Å; P131-Q134 PolarHBondContact O-N 2.91Å; P131-V135 PolarHBondContact O-N 3.4Å; P131-S152 WeakPolarHBondContact CG-OG 3.43Å; P131-S155 WeakPolarHBondContact CD-OG 3.06Å; P131-S155 WeakPolarHBondContact CG-OG 3.01Å; P131-S155 PolarHBondContact O-OG 3.13Å | ||
| 132 | Y | 55.2 | Low | 51 | Low | 106 Ų | 106 | 76.4 Ų | 76.4 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -55.2 | -20.7 | -176.9 | -75.7 | -72 | 0 | 0 | 0 | 110.5 | E113 L130 Q134 V135 Y136 | E113-Y132 PolarHBondContact OE1-N 3.37Å; L130-Y132 HydrophobicContact CB-CD2 4.33Å; L130-Y132 HydrophobicContact CB-CE2 3.97Å; L130-Y132 WeakPolarHBondContact O-CD2 3.33Å; L130-Y132 PolarHBondContact O-N 3.25Å; Y132-Q134 PolarHBondContact O-N 3.21Å; Y132-V135 PolarHBondContact O-N 3.27Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.31Å; Y132-Y136 VanDerWaalsContact O-CG 3.26Å; Y132-Y136 PolarHBondContact O-N 2.87Å |
| 133 | A | 61.3 | Low | 50.6 | Low | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.033 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -35.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S110 E113 S114 P131 V135 Y136 R137 | S110-A133 WeakPolarHBondContact O-CB 3.5Å; S110-A133 PolarHBondContact OG-O 3.26Å; E113-A133 HydrophobicContact CB-CB 3.97Å; E113-A133 VanDerWaalsContact CD-CB 3.47Å; E113-A133 HydrophobicContact CG-CB 4.28Å; E113-A133 WeakPolarHBondContact OE2-CA 3.45Å; E113-A133 WeakPolarHBondContact OE2-CB 2.22Å; E113-A133 PolarHBondContact OE2-N 2.32Å; S114-A133 VanDerWaalsContact OG-CB 3.3Å; S114-A133 WeakPolarHBondContact OG-CB 3.18Å; P131-A133 PolarHBondContact O-N 3.23Å; A133-V135 VanDerWaalsContact C-N 3.27Å; A133-Y136 PolarHBondContact O-N 2.88Å; A133-R137 WeakPolarHBondContact O-CB 3.41Å; A133-R137 VanDerWaalsContact O-CG 3.27Å; A133-R137 WeakPolarHBondContact O-CG 3.47Å; A133-R137 PolarHBondContact O-N 3.39Å |
| 134 | Q | 60.8 | Low | 50.2 | Low | 57 Ų | 57 | 59.9 Ų | 59.9 | 27% | 0.266 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -71.6 | -33.6 | 179.1 | -70.7 | -179 | 9.6 | 0 | 0 | 111.4 | P131 Y132 Y136 R137 F138 L151 S152 S155 | P131-Q134 HydrophobicContact CB-CB 4.15Å; P131-Q134 HydrophobicContact CB-CG 3.77Å; P131-Q134 HydrophobicContact CG-CB 4.39Å; P131-Q134 HydrophobicContact CG-CG 4.24Å; P131-Q134 WeakPolarHBondContact O-CA 3.32Å; P131-Q134 WeakPolarHBondContact O-CB 3.37Å; P131-Q134 PolarHBondContact O-N 2.91Å; Y132-Q134 PolarHBondContact O-N 3.21Å; Q134-Y136 VanDerWaalsContact C-N 3.31Å; Q134-R137 PolarHBondContact O-N 3.38Å; Q134-F138 VanDerWaalsContact O-CB 3.27Å; Q134-F138 WeakPolarHBondContact O-CB 2.42Å; Q134-F138 PolarHBondContact O-N 3.46Å; Q134-L151 HydrophobicContact CB-CD2 4.08Å; Q134-L151 WeakPolarHBondContact O-CD2 3.48Å; Q134-S152 PolarHBondContact OE1-OG 3.46Å; Q134-S152 VanDerWaalsContact OE1-OG 3.05Å; Q134-S155 PolarHBondContact OE1-OG 2.92Å |
| 135 | V | 54.7 | Low | 49.9 | Very low | 21 Ų | 21 | 57.1 Ų | 57.1 | 13% | 0.127 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.8 | -35 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 109.3 | P131 Y132 A133 R137 F138 F139 | P131-V135 PolarHBondContact O-N 3.4Å; Y132-V135 PolarHBondContact O-N 3.27Å; A133-V135 VanDerWaalsContact C-N 3.27Å; V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 2.21Å; V135-F138 VanDerWaalsContact O-CB 3.31Å; V135-F138 WeakPolarHBondContact O-CB 3.45Å; V135-F138 PolarHBondContact O-N 3.4Å; V135-F138 VanDerWaalsContact O-N 3.15Å; V135-F139 HydrophobicContact CG1-CD2 3.44Å; V135-F139 VanDerWaalsContact CG1-CD2 3.44Å; V135-F139 HydrophobicContact CG1-CE2 3.17Å; V135-F139 HydrophobicContact CG1-CZ 4.38Å; V135-F139 WeakPolarHBondContact O-CD2 3.35Å; V135-F139 PolarHBondContact O-N 3.43Å |
| 136 | Y | 54.6 | Low | 49.8 | Very low | 47 Ų | 47 | 56.5 Ų | 56.5 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72 | -36.3 | 179.7 | -71.8 | -45.8 | 0 | 0 | 0 | 110.5 | L106 A109 Y132 A133 Q134 F138 F139 S140 | L106-Y136 HydrophobicContact CD2-CD1 3.81Å; L106-Y136 WeakPolarHBondContact O-CB 3.41Å; A109-Y136 HydrophobicContact CB-CD1 4.4Å; A109-Y136 HydrophobicContact CB-CD2 3.91Å; A109-Y136 HydrophobicContact CB-CE2 4.14Å; A109-Y136 HydrophobicContact CB-CG 4.05Å; Y132-Y136 WeakPolarHBondContact O-CD2 3.31Å; Y132-Y136 VanDerWaalsContact O-CG 3.26Å; Y132-Y136 PolarHBondContact O-N 2.87Å; A133-Y136 PolarHBondContact O-N 2.88Å; Q134-Y136 VanDerWaalsContact C-N 3.31Å; Y136-F138 PolarHBondContact O-N 3.26Å; Y136-F139 PolarHBondContact O-N 3.16Å; Y136-S140 WeakPolarHBondContact O-CB 3Å; Y136-S140 PolarHBondContact O-N 2.86Å |
| 137 | R | 63.7 | Low | 49.9 | Very low | 91 Ų | 91 | 57.1 Ų | 57.1 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -69.3 | 0 | 178.8 | -78.9 | -174.1 | -161.5 | 144.3 | 2 | 110.8 | S110 S114 A133 Q134 V135 F139 S140 S141 P149 | S110-R137 VanDerWaalsContact CB-CG 3.43Å; S110-R137 VanDerWaalsContact OG-CD 3.27Å; S110-R137 WeakPolarHBondContact OG-CD 3.47Å; S110-R137 WeakPolarHBondContact OG-CG 3.39Å; S110-R137 PolarHBondContact OG-NE 3.45Å; S114-R137 PolarHBondContact OG-NH2 2.83Å; A133-R137 WeakPolarHBondContact O-CB 3.41Å; A133-R137 VanDerWaalsContact O-CG 3.27Å; A133-R137 WeakPolarHBondContact O-CG 3.47Å; A133-R137 PolarHBondContact O-N 3.39Å; Q134-R137 PolarHBondContact O-N 3.38Å; V135-R137 VanDerWaalsContact C-N 3.3Å; V135-R137 PolarHBondContact O-N 2.21Å; R137-F139 VanDerWaalsContact C-N 3.3Å; R137-S140 WeakPolarHBondContact O-CB 3.36Å; R137-S140 PolarHBondContact O-N 2.7Å; R137-S141 WeakPolarHBondContact O-CB 3.1Å; R137-S141 PolarHBondContact O-N 2.98Å; R137-S141 PolarHBondContact O-OG 2.9Å; R137-P149 HydrophobicContact CB-CG 3.93Å |
| 138 | F | 55.8 | Low | 50.4 | Low | 13 Ų | 13 | 53.2 Ų | 53.2 | 6% | 0.057 | 28% | 0.281 | C | S | . | . | H | α-helix | 0 | -42.4 | 0 | -173.6 | -90.1 | 0 | 0 | 0 | 110.9 | Q134 V135 Y136 S140 S141 L142 L148 P149 L151 F159 | Q134-F138 VanDerWaalsContact O-CB 3.27Å; Q134-F138 WeakPolarHBondContact O-CB 2.42Å; Q134-F138 PolarHBondContact O-N 3.46Å; V135-F138 VanDerWaalsContact O-CB 3.31Å; V135-F138 WeakPolarHBondContact O-CB 3.45Å; V135-F138 PolarHBondContact O-N 3.4Å; V135-F138 VanDerWaalsContact O-N 3.15Å; Y136-F138 PolarHBondContact O-N 3.26Å; F138-S140 PolarHBondContact O-N 3.17Å; F138-S141 PolarHBondContact O-N 3.49Å; F138-L142 WeakPolarHBondContact O-CB 3.45Å; F138-L142 PolarHBondContact O-N 3.33Å; F138-L148 HydrophobicContact CD2-CB 4.42Å; F138-L148 HydrophobicContact CE2-CB 4.02Å; F138-L148 HydrophobicContact CE2-CD1 4.22Å; F138-L148 HydrophobicContact CE2-CD2 4.31Å; F138-L148 HydrophobicContact CE2-CG 4.43Å; F138-L148 HydrophobicContact CZ-CD1 4.12Å; F138-L148 HydrophobicContact CZ-CD2 4.32Å; F138-P149 HydrophobicContact CB-CG 4.33Å; F138-L151 HydrophobicContact CB-CD1 4.38Å; F138-L151 HydrophobicContact CB-CD2 3.63Å; F138-L151 HydrophobicContact CB-CG 4.26Å; F138-L151 HydrophobicContact CD1-CD1 4.33Å; F138-L151 HydrophobicContact CD2-CD1 3.41Å; F138-L151 VanDerWaalsContact CD2-CD1 3.41Å; F138-L151 HydrophobicContact CD2-CD2 3.88Å; F138-L151 HydrophobicContact CD2-CG 3.5Å; F138-L151 VanDerWaalsContact CD2-CG 3.5Å; F138-L151 HydrophobicContact CE2-CD1 3.62Å; F138-L151 HydrophobicContact CE2-CG 4.07Å; F138-L151 HydrophobicContact CG-CD1 3.8Å; F138-L151 HydrophobicContact CG-CD2 3.98Å; F138-L151 HydrophobicContact CG-CG 4.05Å; F138-L151 HydrophobicContact CZ-CD1 4.18Å; F138-F159 HydrophobicContact CD1-CD2 4.44Å; F138-F159 HydrophobicContact CD1-CE2 4.14Å; F138-F159 HydrophobicContact CE1-CD2 4.28Å; F138-F159 HydrophobicContact CE1-CE1 4.33Å; F138-F159 AromaticContact CE1-CE2 3.72Å; F138-F159 HydrophobicContact CE1-CE2 3.72Å; F138-F159 AromaticContact CE1-CZ 3.76Å; F138-F159 HydrophobicContact CE1-CZ 3.76Å; F138-F159 HydrophobicContact CZ-CZ 4.43Å | |
| 139 | F | 52.2 | Low | 51.1 | Low | 55 Ų | 55 | 49 Ų | 49 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -72.5 | -30.6 | -178.1 | -84 | -63.3 | 0 | 0 | 0 | 110.3 | L106 V135 Y136 R137 S141 L142 V143 F159 L162 | L106-F139 HydrophobicContact CD1-CB 3.57Å; L106-F139 HydrophobicContact CD2-CB 4.16Å; L106-F139 HydrophobicContact CG-CB 4.47Å; V135-F139 HydrophobicContact CG1-CD2 3.44Å; V135-F139 VanDerWaalsContact CG1-CD2 3.44Å; V135-F139 HydrophobicContact CG1-CE2 3.17Å; V135-F139 HydrophobicContact CG1-CZ 4.38Å; V135-F139 WeakPolarHBondContact O-CD2 3.35Å; V135-F139 PolarHBondContact O-N 3.43Å; Y136-F139 PolarHBondContact O-N 3.16Å; R137-F139 VanDerWaalsContact C-N 3.3Å; F139-S141 VanDerWaalsContact C-N 3.31Å; F139-L142 HydrophobicContact CD1-CD2 4.25Å; F139-L142 WeakPolarHBondContact O-CB 2.3Å; F139-L142 PolarHBondContact O-N 2.89Å; F139-V143 WeakPolarHBondContact O-CB 1.44Å; F139-V143 WeakPolarHBondContact O-CG2 1.33Å; F139-V143 PolarHBondContact O-N 3.49Å; F139-F159 HydrophobicContact CE1-CD2 4.43Å; F139-F159 AromaticContact CE1-CE2 3.88Å; F139-F159 HydrophobicContact CE1-CE2 3.88Å; F139-F159 AromaticContact CZ-CD2 3.94Å; F139-F159 HydrophobicContact CZ-CD2 3.94Å; F139-F159 AromaticContact CZ-CE2 3.86Å; F139-F159 HydrophobicContact CZ-CE2 3.86Å; F139-L162 HydrophobicContact CZ-CD2 4.14Å |
| 140 | S | 51.1 | Low | 51.4 | Low | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -68.3 | -46.2 | 178.8 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | N103 L106 Q107 Y136 R137 F138 L142 V143 C144 | N103-S140 PolarHBondContact O-OG 3.12Å; N103-S140 WeakPolarHBondContact OD1-CB 2.07Å; N103-S140 PolarHBondContact OD1-OG 3.32Å; L106-S140 VanDerWaalsContact CB-CB 3.48Å; L106-S140 VanDerWaalsContact CD1-CA 3.41Å; L106-S140 VanDerWaalsContact CD1-N 3.31Å; Q107-S140 VanDerWaalsContact CG-OG 3.26Å; Q107-S140 WeakPolarHBondContact CG-OG 2.43Å; Q107-S140 PolarHBondContact NE2-OG 2.83Å; Y136-S140 WeakPolarHBondContact O-CB 3Å; Y136-S140 PolarHBondContact O-N 2.86Å; R137-S140 WeakPolarHBondContact O-CB 3.36Å; R137-S140 PolarHBondContact O-N 2.7Å; F138-S140 PolarHBondContact O-N 3.17Å; S140-L142 PolarHBondContact O-N 3.09Å; S140-V143 PolarHBondContact O-N 3.34Å; S140-C144 PolarHBondContact O-N 2.87Å |
| 141 | S | 50.2 | Low | 51.5 | Low | 10 Ų | 10 | 50.4 Ų | 50.4 | 7% | 0.07 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -31.4 | 178.6 | -66.6 | 0 | 0 | 0 | 0 | 111.9 | R137 F138 F139 G145 K146 P147 P149 | R137-S141 WeakPolarHBondContact O-CB 3.1Å; R137-S141 PolarHBondContact O-N 2.98Å; R137-S141 PolarHBondContact O-OG 2.9Å; F138-S141 PolarHBondContact O-N 3.49Å; F139-S141 VanDerWaalsContact C-N 3.31Å; S141-G145 CarbonylContact O-C 3.27Å; S141-G145 PolarHBondContact O-N 3.36Å; S141-K146 PolarHBondContact O-N 2.64Å; S141-P147 WeakPolarHBondContact CB-O 2.87Å; S141-P147 PolarHBondContact OG-O 2.97Å; S141-P149 VanDerWaalsContact CB-CD 3.4Å; S141-P149 VanDerWaalsContact OG-CD 3.23Å; S141-P149 WeakPolarHBondContact OG-CD 2.55Å |
| 142 | L | 46.3 | Very low | 51.1 | Low | 75 Ų | 75 | 51.4 Ų | 51.4 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.7 | -38.6 | 179.8 | -176.5 | 70.1 | 0 | 0 | 0 | 110.5 | F138 F139 S140 C144 G145 L148 F307 | F138-L142 WeakPolarHBondContact O-CB 3.45Å; F138-L142 PolarHBondContact O-N 3.33Å; F139-L142 HydrophobicContact CD1-CD2 4.25Å; F139-L142 WeakPolarHBondContact O-CB 2.3Å; F139-L142 PolarHBondContact O-N 2.89Å; S140-L142 PolarHBondContact O-N 3.09Å; L142-C144 VanDerWaalsContact C-N 3.27Å; L142-C144 PolarHBondContact O-N 3.27Å; L142-G145 PolarHBondContact O-N 3.43Å; L142-L148 HydrophobicContact CB-CD2 4.13Å; L142-L148 HydrophobicContact CD1-CD2 4.15Å; L142-F307 HydrophobicContact CD1-CD1 4.49Å; L142-F307 HydrophobicContact CD1-CE1 3.61Å; L142-F307 HydrophobicContact CD1-CZ 4.32Å |
| 143 | V | 42.6 | Very low | 50.6 | Low | 40 Ų | 40 | 53.2 Ų | 53.2 | 24% | 0.242 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.4 | -20.6 | -171.1 | 173.9 | 0 | 0 | 0 | 0 | 109 | S99 L102 L106 F139 S140 | S99-V143 VanDerWaalsContact CB-O 3.23Å; S99-V143 WeakPolarHBondContact CB-O 3.24Å; S99-V143 WeakPolarHBondContact O-CG1 0.16Å; S99-V143 PolarHBondContact OG-O 3.13Å; L102-V143 HydrophobicContact CB-CG1 3.79Å; L102-V143 HydrophobicContact CD2-CB 3.76Å; L102-V143 HydrophobicContact CD2-CG1 3.3Å; L102-V143 HydrophobicContact CD2-CG2 3.14Å; L102-V143 HydrophobicContact CG-CB 4.4Å; L102-V143 HydrophobicContact CG-CG1 3.98Å; L102-V143 HydrophobicContact CG-CG2 4.04Å; L106-V143 HydrophobicContact CD1-CG2 4.12Å; F139-V143 WeakPolarHBondContact O-CB 1.44Å; F139-V143 WeakPolarHBondContact O-CG2 1.33Å; F139-V143 PolarHBondContact O-N 3.49Å; S140-V143 PolarHBondContact O-N 3.34Å |
| 144 | C | 43.6 | Very low | 49.7 | Very low | 32 Ų | 32 | 56.6 Ų | 56.6 | 22% | 0.216 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 0 | -176.2 | -70.3 | 0 | 0 | 0 | 0 | 110.1 | S99 N103 S140 L142 K146 | S99-C144 PolarHBondContact O-SG 3.43Å; N103-C144 HydrophobicContact CB-CB 4.29Å; N103-C144 WeakPolarHBondContact CB-SG 1.55Å; N103-C144 PolarHBondContact ND2-SG 3.23Å; N103-C144 VanDerWaalsContact ND2-SG 3.37Å; S140-C144 PolarHBondContact O-N 2.87Å; L142-C144 VanDerWaalsContact C-N 3.27Å; L142-C144 PolarHBondContact O-N 3.27Å; C144-K146 VanDerWaalsContact C-N 3.26Å; C144-K146 HydrophobicContact CB-CD 4.27Å; C144-K146 HydrophobicContact CB-CG 4.02Å; C144-K146 PolarHBondContact O-N 3.49Å |
| 145 | G | 38.3 | Very low | 49.1 | Very low | 67 Ų | 67 | 53.9 Ų | 53.9 | 69% | 0.691 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 22.8 | 0 | 0 | 0 | 0 | 0 | 0 | 111.9 | S141 L142 | S141-G145 CarbonylContact O-C 3.27Å; S141-G145 PolarHBondContact O-N 3.36Å; L142-G145 PolarHBondContact O-N 3.43Å | |
| 146 | K | 45.1 | Very low | 48.4 | Very low | 86 Ų | 86 | 53.4 Ų | 53.4 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -85.6 | 157.5 | 176.3 | -65.3 | -179.9 | -178.7 | 178.3 | 0 | 110.8 | N103 S141 C144 L148 | N103-K146 PolarHBondContact ND2-NZ 3.3Å; S141-K146 PolarHBondContact O-N 2.64Å; C144-K146 VanDerWaalsContact C-N 3.26Å; C144-K146 HydrophobicContact CB-CD 4.27Å; C144-K146 HydrophobicContact CB-CG 4.02Å; C144-K146 PolarHBondContact O-N 3.49Å; K146-L148 PolarHBondContact O-N 3.32Å |
| 147 | P | 44.3 | Very low | 47.6 | Very low | 120 Ų | 120 | 52.5 Ų | 52.5 | 78% | 0.779 | 31% | 0.305 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 131.6 | 174.2 | -18.4 | 23.5 | 0 | 0 | 0 | 111.7 | S141 | S141-P147 WeakPolarHBondContact CB-O 2.87Å; S141-P147 PolarHBondContact OG-O 2.97Å |
| 148 | L | 48.3 | Very low | 46.7 | Very low | 39 Ų | 39 | 50 Ų | 50 | 20% | 0.204 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -77.9 | 123.9 | -173 | -62.8 | 172.9 | 0 | 0 | 0 | 109.8 | F138 L142 K146 F307 | F138-L148 HydrophobicContact CD2-CB 4.42Å; F138-L148 HydrophobicContact CE2-CB 4.02Å; F138-L148 HydrophobicContact CE2-CD1 4.22Å; F138-L148 HydrophobicContact CE2-CD2 4.31Å; F138-L148 HydrophobicContact CE2-CG 4.43Å; F138-L148 HydrophobicContact CZ-CD1 4.12Å; F138-L148 HydrophobicContact CZ-CD2 4.32Å; L142-L148 HydrophobicContact CB-CD2 4.13Å; L142-L148 HydrophobicContact CD1-CD2 4.15Å; K146-L148 PolarHBondContact O-N 3.32Å; L148-F307 HydrophobicContact CB-CZ 4.13Å; L148-F307 HydrophobicContact CD1-CD1 3.23Å; L148-F307 HydrophobicContact CD1-CD2 4.07Å; L148-F307 HydrophobicContact CD1-CE1 2.44Å; L148-F307 HydrophobicContact CD1-CE2 3.47Å; L148-F307 VanDerWaalsContact CD1-CE2 3.47Å; L148-F307 HydrophobicContact CD1-CG 3.97Å; L148-F307 HydrophobicContact CD1-CZ 2.6Å; L148-F307 HydrophobicContact CD2-CE1 3.45Å; L148-F307 VanDerWaalsContact CD2-CE1 3.45Å; L148-F307 HydrophobicContact CD2-CE2 4.25Å; L148-F307 HydrophobicContact CD2-CZ 3.08Å; L148-F307 HydrophobicContact CG-CD1 4.28Å; L148-F307 HydrophobicContact CG-CE1 3.17Å; L148-F307 HydrophobicContact CG-CE2 3.5Å; L148-F307 VanDerWaalsContact CG-CE2 3.5Å; L148-F307 HydrophobicContact CG-CZ 2.65Å |
| 149 | P | 56.2 | Low | 46.3 | Very low | 39 Ų | 39 | 51.3 Ų | 51.3 | 25% | 0.253 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 147.7 | 178.2 | 23.9 | -27 | 0 | 0 | 0 | 111.9 | R137 F138 S141 L151 | R137-P149 HydrophobicContact CB-CG 3.93Å; F138-P149 HydrophobicContact CB-CG 4.33Å; S141-P149 VanDerWaalsContact CB-CD 3.4Å; S141-P149 VanDerWaalsContact OG-CD 3.23Å; S141-P149 WeakPolarHBondContact OG-CD 2.55Å; P149-L151 PolarHBondContact O-N 3.07Å |
| 150 | N | 50.6 | Low | 45.8 | Very low | 127 Ų | 127 | 53.1 Ų | 53.1 | 68% | 0.679 | 32% | 0.321 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 130.8 | 176.6 | -72.9 | -23 | 0 | 0 | 0 | 111 | ||
| 151 | L | 49.6 | Very low | 45.5 | Very low | 12 Ų | 12 | 58.4 Ų | 58.4 | 6% | 0.063 | 35% | 0.349 | C | S | . | . | P | Polyproline II helix | trans | -95.5 | 138.4 | 175.4 | -69.1 | 172.1 | 0 | 0 | 0 | 110.1 | Q134 F138 P149 S156 F312 | Q134-L151 HydrophobicContact CB-CD2 4.08Å; Q134-L151 WeakPolarHBondContact O-CD2 3.48Å; F138-L151 HydrophobicContact CB-CD1 4.38Å; F138-L151 HydrophobicContact CB-CD2 3.63Å; F138-L151 HydrophobicContact CB-CG 4.26Å; F138-L151 HydrophobicContact CD1-CD1 4.33Å; F138-L151 HydrophobicContact CD2-CD1 3.41Å; F138-L151 VanDerWaalsContact CD2-CD1 3.41Å; F138-L151 HydrophobicContact CD2-CD2 3.88Å; F138-L151 HydrophobicContact CD2-CG 3.5Å; F138-L151 VanDerWaalsContact CD2-CG 3.5Å; F138-L151 HydrophobicContact CE2-CD1 3.62Å; F138-L151 HydrophobicContact CE2-CG 4.07Å; F138-L151 HydrophobicContact CG-CD1 3.8Å; F138-L151 HydrophobicContact CG-CD2 3.98Å; F138-L151 HydrophobicContact CG-CG 4.05Å; F138-L151 HydrophobicContact CZ-CD1 4.18Å; P149-L151 PolarHBondContact O-N 3.07Å; L151-S156 WeakPolarHBondContact CB-OG 3.34Å; L151-F312 HydrophobicContact CB-CE1 4.01Å; L151-F312 HydrophobicContact CB-CZ 4.2Å |
| 152 | S | 48.9 | Very low | 45.3 | Very low | 38 Ų | 38 | 61.3 Ų | 61.3 | 27% | 0.266 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 154.9 | 169.2 | 69.2 | 0 | 0 | 0 | 0 | 111.8 | P131 Q134 L154 S155 S156 | P131-S152 WeakPolarHBondContact CG-OG 3.43Å; Q134-S152 PolarHBondContact OE1-OG 3.46Å; Q134-S152 VanDerWaalsContact OE1-OG 3.05Å; S152-L154 PolarHBondContact O-N 2.88Å; S152-L154 VanDerWaalsContact O-N 3.15Å; S152-S155 PolarHBondContact O-N 3.46Å; S152-S155 PolarHBondContact OG-N 3.17Å; S152-S155 PolarHBondContact OG-OG 3.5Å; S152-S155 VanDerWaalsContact OG-OG 3.04Å; S152-S156 VanDerWaalsContact O-CB 3.28Å; S152-S156 WeakPolarHBondContact O-CB 3.47Å; S152-S156 PolarHBondContact O-N 3.28Å; S152-S156 PolarHBondContact O-OG 2.88Å |
| 153 | D | 44.6 | Very low | 45.2 | Very low | 144 Ų | 144 | 61.4 Ų | 61.4 | 77% | 0.77 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -47.4 | -40.2 | 178.9 | -72.3 | -13.9 | 0 | 0 | 0 | 111.2 | G157 | D153-G157 PolarHBondContact O-N 3.36Å |
| 154 | L | 42.7 | Very low | 45.1 | Very low | 76 Ų | 76 | 62.3 Ų | 62.3 | 40% | 0.398 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -71.3 | -43.2 | -177.4 | -157.2 | 104.1 | 0 | 0 | 0 | 111 | Y129 L130 S152 S156 G157 A158 | Y129-L154 VanDerWaalsContact O-CD2 3.28Å; Y129-L154 WeakPolarHBondContact O-CD2 3.26Å; L130-L154 HydrophobicContact CB-CD2 3.7Å; L130-L154 HydrophobicContact CD1-CD2 3.62Å; L130-L154 HydrophobicContact CD1-CG 4.47Å; L130-L154 HydrophobicContact CD2-CD2 4.16Å; L130-L154 HydrophobicContact CG-CD2 3.04Å; L130-L154 HydrophobicContact CG-CG 4.04Å; S152-L154 PolarHBondContact O-N 2.88Å; S152-L154 VanDerWaalsContact O-N 3.15Å; L154-S156 PolarHBondContact O-N 3.32Å; L154-G157 PolarHBondContact O-N 3.07Å; L154-A158 PolarHBondContact O-N 3.36Å |
| 155 | S | 46.9 | Very low | 44.9 | Very low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -69.9 | -33.3 | 178.8 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | P131 Q134 S152 G157 A158 F159 | P131-S155 WeakPolarHBondContact CD-OG 3.06Å; P131-S155 WeakPolarHBondContact CG-OG 3.01Å; P131-S155 PolarHBondContact O-OG 3.13Å; Q134-S155 PolarHBondContact OE1-OG 2.92Å; S152-S155 PolarHBondContact O-N 3.46Å; S152-S155 PolarHBondContact OG-N 3.17Å; S152-S155 PolarHBondContact OG-OG 3.5Å; S152-S155 VanDerWaalsContact OG-OG 3.04Å; S155-G157 VanDerWaalsContact C-N 3.27Å; S155-A158 PolarHBondContact O-N 2.55Å; S155-F159 WeakPolarHBondContact O-CB 3.41Å; S155-F159 PolarHBondContact O-N 2.75Å |
| 156 | S | 40 | Very low | 45.2 | Very low | 11 Ų | 11 | 63.4 Ų | 63.4 | 8% | 0.077 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -66.2 | -42.8 | 175 | -62.7 | 0 | 0 | 0 | 0 | 110.9 | L151 S152 L154 A158 F159 L160 F312 | L151-S156 WeakPolarHBondContact CB-OG 3.34Å; S152-S156 VanDerWaalsContact O-CB 3.28Å; S152-S156 WeakPolarHBondContact O-CB 3.47Å; S152-S156 PolarHBondContact O-N 3.28Å; S152-S156 PolarHBondContact O-OG 2.88Å; L154-S156 PolarHBondContact O-N 3.32Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 2.79Å; S156-F159 WeakPolarHBondContact O-CB 3.27Å; S156-F159 PolarHBondContact O-N 3.48Å; S156-L160 VanDerWaalsContact O-CG 3.23Å; S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.11Å; S156-F312 WeakPolarHBondContact OG-CE1 3.37Å; S156-F312 WeakPolarHBondContact OG-CZ 3.47Å |
| 157 | G | 39.3 | Very low | 45 | Very low | 28 Ų | 28 | 61 Ų | 61 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D153 L154 S155 F159 L160 D161 | D153-G157 PolarHBondContact O-N 3.36Å; L154-G157 PolarHBondContact O-N 3.07Å; S155-G157 VanDerWaalsContact C-N 3.27Å; G157-F159 VanDerWaalsContact C-N 3.25Å; G157-F159 PolarHBondContact O-N 3.21Å; G157-L160 PolarHBondContact O-N 3.36Å; G157-D161 PolarHBondContact O-N 3.34Å |
| 158 | A | 44.5 | Very low | 44.9 | Very low | 38 Ų | 38 | 62.5 Ų | 62.5 | 31% | 0.314 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L130 L154 S155 S156 L160 D161 L162 | L130-A158 HydrophobicContact CD2-CB 3.58Å; L154-A158 PolarHBondContact O-N 3.36Å; S155-A158 PolarHBondContact O-N 2.55Å; S156-A158 VanDerWaalsContact C-N 3.27Å; S156-A158 PolarHBondContact O-N 2.79Å; A158-L160 PolarHBondContact O-N 3.39Å; A158-D161 PolarHBondContact O-N 3.36Å; A158-L162 PolarHBondContact O-N 3.42Å |
| 159 | F | 47.3 | Very low | 44.5 | Very low | 40 Ų | 40 | 63.7 Ų | 63.7 | 18% | 0.175 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.5 | -174.8 | -102.4 | 0 | 0 | 0 | 111.1 | F138 F139 S155 S156 G157 D161 L162 L163 | F138-F159 HydrophobicContact CD1-CD2 4.44Å; F138-F159 HydrophobicContact CD1-CE2 4.14Å; F138-F159 HydrophobicContact CE1-CD2 4.28Å; F138-F159 HydrophobicContact CE1-CE1 4.33Å; F138-F159 AromaticContact CE1-CE2 3.72Å; F138-F159 HydrophobicContact CE1-CE2 3.72Å; F138-F159 AromaticContact CE1-CZ 3.76Å; F138-F159 HydrophobicContact CE1-CZ 3.76Å; F138-F159 HydrophobicContact CZ-CZ 4.43Å; F139-F159 HydrophobicContact CE1-CD2 4.43Å; F139-F159 AromaticContact CE1-CE2 3.88Å; F139-F159 HydrophobicContact CE1-CE2 3.88Å; F139-F159 AromaticContact CZ-CD2 3.94Å; F139-F159 HydrophobicContact CZ-CD2 3.94Å; F139-F159 AromaticContact CZ-CE2 3.86Å; F139-F159 HydrophobicContact CZ-CE2 3.86Å; S155-F159 WeakPolarHBondContact O-CB 3.41Å; S155-F159 PolarHBondContact O-N 2.75Å; S156-F159 WeakPolarHBondContact O-CB 3.27Å; S156-F159 PolarHBondContact O-N 3.48Å; G157-F159 VanDerWaalsContact C-N 3.25Å; G157-F159 PolarHBondContact O-N 3.21Å; F159-D161 PolarHBondContact O-N 2.85Å; F159-L162 WeakPolarHBondContact O-CB 3.09Å; F159-L162 PolarHBondContact O-N 2.82Å; F159-L163 HydrophobicContact CD1-CD1 3.4Å; F159-L163 VanDerWaalsContact CD1-CD1 3.4Å; F159-L163 HydrophobicContact CD1-CG 4.09Å; F159-L163 HydrophobicContact CE1-CD1 2.92Å; F159-L163 HydrophobicContact CE1-CD2 4.39Å; F159-L163 HydrophobicContact CE1-CG 3.72Å; F159-L163 HydrophobicContact CG-CD1 4.44Å; F159-L163 HydrophobicContact CZ-CD1 3.69Å; F159-L163 HydrophobicContact CZ-CD2 4.32Å; F159-L163 HydrophobicContact CZ-CG 4.06Å; F159-L163 WeakPolarHBondContact O-CG 3.19Å; F159-L163 PolarHBondContact O-N 3.37Å |
| 160 | L | 42.4 | Very low | 43.9 | Very low | 94 Ų | 94 | 65.6 Ų | 65.6 | 49% | 0.492 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 179.9 | -75.5 | 175.4 | 0 | 0 | 0 | 110.6 | S156 G157 A158 L162 L163 T164 | S156-L160 VanDerWaalsContact O-CG 3.23Å; S156-L160 WeakPolarHBondContact O-CG 3.46Å; S156-L160 PolarHBondContact O-N 3.11Å; G157-L160 PolarHBondContact O-N 3.36Å; A158-L160 PolarHBondContact O-N 3.39Å; L160-L162 PolarHBondContact O-N 3.05Å; L160-L163 PolarHBondContact O-N 3.11Å; L160-T164 WeakPolarHBondContact O-CB 3.2Å; L160-T164 PolarHBondContact O-N 2.28Å; L160-T164 PolarHBondContact O-OG1 1.59Å |
| 161 | D | 42.9 | Very low | 43.5 | Very low | 111 Ų | 111 | 60.3 Ų | 60.3 | 59% | 0.594 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.7 | -41.9 | 177.2 | -78.4 | -14.3 | 0 | 0 | 0 | 110.8 | G157 A158 F159 L163 T164 C165 | G157-D161 PolarHBondContact O-N 3.34Å; A158-D161 PolarHBondContact O-N 3.36Å; F159-D161 PolarHBondContact O-N 2.85Å; D161-L163 VanDerWaalsContact C-N 3.27Å; D161-L163 PolarHBondContact O-N 3.22Å; D161-T164 PolarHBondContact O-N 2.64Å; D161-C165 PolarHBondContact O-N 3Å; D161-C165 VanDerWaalsContact O-N 3.09Å; D161-C165 PolarHBondContact O-SG 2.69Å |
| 162 | L | 46.3 | Very low | 43.2 | Very low | 71 Ų | 71 | 62.5 Ų | 62.5 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 177.9 | -176.7 | 71.4 | 0 | 0 | 0 | 111.2 | F139 A158 F159 L160 T164 C165 L166 | F139-L162 HydrophobicContact CZ-CD2 4.14Å; A158-L162 PolarHBondContact O-N 3.42Å; F159-L162 WeakPolarHBondContact O-CB 3.09Å; F159-L162 PolarHBondContact O-N 2.82Å; L160-L162 PolarHBondContact O-N 3.05Å; L162-T164 PolarHBondContact O-N 3Å; L162-C165 WeakPolarHBondContact O-CB 3.46Å; L162-C165 PolarHBondContact O-N 3.14Å; L162-L166 WeakPolarHBondContact O-CG 3Å; L162-L166 PolarHBondContact O-N 3.24Å |
| 163 | L | 44.5 | Very low | 42.7 | Very low | 76 Ų | 76 | 62.6 Ų | 62.6 | 40% | 0.398 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 178.4 | -76.9 | 174.7 | 0 | 0 | 0 | 111.4 | F159 L160 D161 C165 L166 D167 | F159-L163 HydrophobicContact CD1-CD1 3.4Å; F159-L163 VanDerWaalsContact CD1-CD1 3.4Å; F159-L163 HydrophobicContact CD1-CG 4.09Å; F159-L163 HydrophobicContact CE1-CD1 2.92Å; F159-L163 HydrophobicContact CE1-CD2 4.39Å; F159-L163 HydrophobicContact CE1-CG 3.72Å; F159-L163 HydrophobicContact CG-CD1 4.44Å; F159-L163 HydrophobicContact CZ-CD1 3.69Å; F159-L163 HydrophobicContact CZ-CD2 4.32Å; F159-L163 HydrophobicContact CZ-CG 4.06Å; F159-L163 WeakPolarHBondContact O-CG 3.19Å; F159-L163 PolarHBondContact O-N 3.37Å; L160-L163 PolarHBondContact O-N 3.11Å; D161-L163 VanDerWaalsContact C-N 3.27Å; D161-L163 PolarHBondContact O-N 3.22Å; L163-C165 PolarHBondContact O-N 3.39Å; L163-L166 PolarHBondContact O-N 3.32Å; L163-D167 WeakPolarHBondContact O-CB 3.36Å; L163-D167 PolarHBondContact O-N 3.37Å |
| 164 | T | 40.5 | Very low | 42.7 | Very low | 60 Ų | 60 | 55.8 Ų | 55.8 | 37% | 0.368 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 178.2 | -55.9 | 0 | 0 | 0 | 0 | 110.5 | L160 D161 L162 L166 D167 R168 | L160-T164 WeakPolarHBondContact O-CB 3.2Å; L160-T164 PolarHBondContact O-N 2.28Å; L160-T164 PolarHBondContact O-OG1 1.59Å; D161-T164 PolarHBondContact O-N 2.64Å; L162-T164 PolarHBondContact O-N 3Å; T164-L166 VanDerWaalsContact C-N 3.25Å; T164-L166 PolarHBondContact O-N 3.5Å; T164-D167 WeakPolarHBondContact O-CB 2.51Å; T164-D167 PolarHBondContact O-N 2.96Å; T164-R168 WeakPolarHBondContact O-CG 3.48Å; T164-R168 PolarHBondContact O-N 3.11Å |
| 165 | C | 40.9 | Very low | 42.8 | Very low | 48 Ų | 48 | 56.3 Ų | 56.3 | 32% | 0.324 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.8 | -46.2 | 178.3 | -75.3 | 0 | 0 | 0 | 0 | 110.8 | D161 L162 L163 D167 R168 I169 | D161-C165 PolarHBondContact O-N 3Å; D161-C165 VanDerWaalsContact O-N 3.09Å; D161-C165 PolarHBondContact O-SG 2.69Å; L162-C165 WeakPolarHBondContact O-CB 3.46Å; L162-C165 PolarHBondContact O-N 3.14Å; L163-C165 PolarHBondContact O-N 3.39Å; C165-D167 PolarHBondContact O-N 2.92Å; C165-R168 PolarHBondContact O-N 2.71Å; C165-I169 VanDerWaalsContact O-CG1 3.26Å; C165-I169 WeakPolarHBondContact O-CG1 3.4Å; C165-I169 PolarHBondContact O-N 2.77Å; C165-I169 VanDerWaalsContact O-N 3.1Å |
| 166 | L | 43 | Very low | 42.2 | Very low | 74 Ų | 74 | 57 Ų | 57 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.3 | -37.7 | 179.4 | -75.5 | 170.8 | 0 | 0 | 0 | 110.9 | L162 L163 T164 R168 I169 L170 | L162-L166 WeakPolarHBondContact O-CG 3Å; L162-L166 PolarHBondContact O-N 3.24Å; L163-L166 PolarHBondContact O-N 3.32Å; T164-L166 VanDerWaalsContact C-N 3.25Å; T164-L166 PolarHBondContact O-N 3.5Å; L166-R168 VanDerWaalsContact C-N 3.28Å; L166-R168 PolarHBondContact O-N 3.15Å; L166-I169 WeakPolarHBondContact O-CB 3.09Å; L166-I169 PolarHBondContact O-N 3.46Å; L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.41Å |
| 167 | D | 42.5 | Very low | 42.2 | Very low | 35 Ų | 35 | 58.5 Ų | 58.5 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -65.1 | -43.6 | 178.2 | -171 | 48.2 | 0 | 0 | 0 | 110.8 | L163 T164 C165 I169 L170 S171 F329 | L163-D167 WeakPolarHBondContact O-CB 3.36Å; L163-D167 PolarHBondContact O-N 3.37Å; T164-D167 WeakPolarHBondContact O-CB 2.51Å; T164-D167 PolarHBondContact O-N 2.96Å; C165-D167 PolarHBondContact O-N 2.92Å; D167-I169 PolarHBondContact O-N 3.2Å; D167-L170 PolarHBondContact O-N 2.98Å; D167-L170 VanDerWaalsContact O-N 3.16Å; D167-S171 WeakPolarHBondContact O-CB 3.46Å; D167-S171 PolarHBondContact O-N 3.28Å; D167-S171 PolarHBondContact O-OG 2.97Å; D167-F329 HydrophobicContact CB-CD1 4.48Å; D167-F329 HydrophobicContact CB-CD2 4.06Å; D167-F329 HydrophobicContact CB-CE1 3.46Å; D167-F329 VanDerWaalsContact CB-CE1 3.46Å; D167-F329 HydrophobicContact CB-CE2 2.9Å; D167-F329 HydrophobicContact CB-CZ 2.49Å; D167-F329 WeakPolarHBondContact OD1-CD1 3.4Å; D167-F329 WeakPolarHBondContact OD1-CD2 3.44Å; D167-F329 WeakPolarHBondContact OD1-CE1 3.47Å; D167-F329 CovalentContact OD1-CE2 1.33Å; D167-F329 WeakPolarHBondContact OD1-CE2 3.37Å; D167-F329 WeakPolarHBondContact OD1-CG 3.01Å; D167-F329 WeakPolarHBondContact OD1-CZ 3.34Å; D167-F329 WeakPolarHBondContact OD2-CD2 3.22Å; D167-F329 VanDerWaalsContact OD2-CE1 3.24Å; D167-F329 WeakPolarHBondContact OD2-CE1 2.74Å; D167-F329 WeakPolarHBondContact OD2-CE2 3.16Å; D167-F329 WeakPolarHBondContact OD2-CG 3.3Å; D167-F329 WeakPolarHBondContact OD2-CZ 2.74Å |
| 168 | R | 41.4 | Very low | 42.4 | Very low | 152 Ų | 152 | 59.7 Ų | 59.7 | 57% | 0.574 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.2 | -33.7 | -178.5 | -79.9 | -174.4 | -178.8 | 170.8 | -0.2 | 110.5 | T164 C165 L166 L170 S171 F172 | T164-R168 WeakPolarHBondContact O-CG 3.48Å; T164-R168 PolarHBondContact O-N 3.11Å; C165-R168 PolarHBondContact O-N 2.71Å; L166-R168 VanDerWaalsContact C-N 3.28Å; L166-R168 PolarHBondContact O-N 3.15Å; R168-L170 VanDerWaalsContact C-N 3.31Å; R168-S171 PolarHBondContact O-N 3.35Å; R168-F172 VanDerWaalsContact O-CB 3.31Å; R168-F172 WeakPolarHBondContact O-CB 2.92Å; R168-F172 PolarHBondContact O-N 2.72Å |
| 169 | I | 40.6 | Very low | 42.4 | Very low | 64 Ų | 64 | 60.3 Ų | 60.3 | 33% | 0.328 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -70.4 | -44 | 179 | -70.5 | 174.1 | 0 | 0 | 0 | 109.5 | C165 L166 D167 S171 F172 V173 A200 | C165-I169 VanDerWaalsContact O-CG1 3.26Å; C165-I169 WeakPolarHBondContact O-CG1 3.4Å; C165-I169 PolarHBondContact O-N 2.77Å; C165-I169 VanDerWaalsContact O-N 3.1Å; L166-I169 WeakPolarHBondContact O-CB 3.09Å; L166-I169 PolarHBondContact O-N 3.46Å; D167-I169 PolarHBondContact O-N 3.2Å; I169-S171 VanDerWaalsContact C-N 3.27Å; I169-S171 PolarHBondContact O-N 2.88Å; I169-F172 WeakPolarHBondContact O-CB 3.38Å; I169-F172 PolarHBondContact O-N 3.39Å; I169-V173 HydrophobicContact CG2-CG2 4.36Å; I169-V173 WeakPolarHBondContact O-CG2 3.43Å; I169-V173 PolarHBondContact O-N 3.42Å; I169-A200 HydrophobicContact CD1-CB 3.61Å |
| 170 | L | 42.1 | Very low | 42.1 | Very low | 78 Ų | 78 | 61.9 Ų | 61.9 | 41% | 0.408 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.9 | -33.9 | -178.5 | -75.1 | 171.1 | 0 | 0 | 0 | 110.9 | L166 D167 R168 F172 V173 N174 | L166-L170 WeakPolarHBondContact O-CB 3.35Å; L166-L170 VanDerWaalsContact O-CG 3.26Å; L166-L170 WeakPolarHBondContact O-CG 3.37Å; L166-L170 PolarHBondContact O-N 3.41Å; D167-L170 PolarHBondContact O-N 2.98Å; D167-L170 VanDerWaalsContact O-N 3.16Å; R168-L170 VanDerWaalsContact C-N 3.31Å; L170-F172 VanDerWaalsContact C-N 3.27Å; L170-V173 VanDerWaalsContact O-CB 3.24Å; L170-V173 WeakPolarHBondContact O-CB 3.33Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-V173 VanDerWaalsContact O-N 3.14Å; L170-N174 PolarHBondContact O-N 3.32Å |
| 171 | S | 43.5 | Very low | 42.1 | Very low | 17 Ų | 17 | 65.3 Ų | 65.3 | 12% | 0.119 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.5 | -38.1 | 176.6 | -80.4 | 0 | 0 | 0 | 0 | 111.2 | D167 R168 I169 V173 N174 N175 | D167-S171 WeakPolarHBondContact O-CB 3.46Å; D167-S171 PolarHBondContact O-N 3.28Å; D167-S171 PolarHBondContact O-OG 2.97Å; R168-S171 PolarHBondContact O-N 3.35Å; I169-S171 VanDerWaalsContact C-N 3.27Å; I169-S171 PolarHBondContact O-N 2.88Å; S171-V173 PolarHBondContact O-N 3.36Å; S171-N174 PolarHBondContact O-N 3Å; S171-N175 WeakPolarHBondContact O-CB 3.24Å; S171-N175 PolarHBondContact O-N 3.43Å; S171-N175 PolarHBondContact O-ND2 2.97Å |
| 172 | F | 42.4 | Very low | 42.1 | Very low | 58 Ų | 58 | 62.7 Ų | 62.7 | 25% | 0.254 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 176 | -172.1 | -99.9 | 0 | 0 | 0 | 110.6 | R168 I169 L170 N174 N175 S176 F275 | R168-F172 VanDerWaalsContact O-CB 3.31Å; R168-F172 WeakPolarHBondContact O-CB 2.92Å; R168-F172 PolarHBondContact O-N 2.72Å; I169-F172 WeakPolarHBondContact O-CB 3.38Å; I169-F172 PolarHBondContact O-N 3.39Å; L170-F172 VanDerWaalsContact C-N 3.27Å; F172-N174 PolarHBondContact O-N 3.23Å; F172-N175 PolarHBondContact O-N 3.33Å; F172-S176 WeakPolarHBondContact O-CB 3.37Å; F172-S176 PolarHBondContact O-N 3.46Å; F172-S176 PolarHBondContact O-OG 3.17Å; F172-S176 VanDerWaalsContact O-OG 3.1Å; F172-F275 HydrophobicContact CD1-CZ 4.38Å; F172-F275 HydrophobicContact CD2-CD1 4.49Å; F172-F275 AromaticContact CD2-CE1 3.63Å; F172-F275 HydrophobicContact CD2-CE1 3.63Å; F172-F275 HydrophobicContact CD2-CE2 4.09Å; F172-F275 AromaticContact CD2-CZ 3.37Å; F172-F275 HydrophobicContact CD2-CZ 3.37Å; F172-F275 AromaticContact CE1-CE1 3.78Å; F172-F275 HydrophobicContact CE1-CE1 3.78Å; F172-F275 HydrophobicContact CE1-CZ 4.08Å; F172-F275 AromaticContact CE2-CD1 3.42Å; F172-F275 HydrophobicContact CE2-CD1 3.42Å; F172-F275 VanDerWaalsContact CE2-CD1 3.42Å; F172-F275 HydrophobicContact CE2-CD2 4.45Å; F172-F275 AromaticContact CE2-CE1 2.68Å; F172-F275 HydrophobicContact CE2-CE1 2.68Å; F172-F275 AromaticContact CE2-CE2 3.9Å; F172-F275 HydrophobicContact CE2-CE2 3.9Å; F172-F275 HydrophobicContact CE2-CG 4.25Å; F172-F275 AromaticContact CE2-CZ 2.98Å; F172-F275 HydrophobicContact CE2-CZ 2.98Å; F172-F275 HydrophobicContact CG-CE1 4.44Å; F172-F275 HydrophobicContact CG-CZ 4.07Å; F172-F275 AromaticContact CZ-CD1 3.7Å; F172-F275 HydrophobicContact CZ-CD1 3.7Å; F172-F275 AromaticContact CZ-CE1 2.78Å; F172-F275 HydrophobicContact CZ-CE1 2.78Å; F172-F275 AromaticContact CZ-CZ 3.39Å; F172-F275 HydrophobicContact CZ-CZ 3.39Å |
| 173 | V | 38.7 | Very low | 42 | Very low | 39 Ų | 39 | 67.6 Ų | 67.6 | 24% | 0.236 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66 | -34.8 | -179.9 | 172.8 | 0 | 0 | 0 | 0 | 109.6 | I169 L170 S171 S176 L193 | I169-V173 HydrophobicContact CG2-CG2 4.36Å; I169-V173 WeakPolarHBondContact O-CG2 3.43Å; I169-V173 PolarHBondContact O-N 3.42Å; L170-V173 VanDerWaalsContact O-CB 3.24Å; L170-V173 WeakPolarHBondContact O-CB 3.33Å; L170-V173 PolarHBondContact O-N 3.44Å; L170-V173 VanDerWaalsContact O-N 3.14Å; S171-V173 PolarHBondContact O-N 3.36Å; V173-S176 PolarHBondContact O-OG 3.05Å; V173-L193 HydrophobicContact CG1-CD2 4.45Å; V173-L193 HydrophobicContact CG2-CD2 4.28Å |
| 174 | N | 43.9 | Very low | 42.1 | Very low | 2 Ų | 2 | 70.8 Ų | 70.8 | 1% | 0.011 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -84.8 | 0 | -174.8 | -87.5 | -16 | 0 | 0 | 0 | 111 | L170 S171 F172 C333 F337 | L170-N174 PolarHBondContact O-N 3.32Å; S171-N174 PolarHBondContact O-N 3Å; F172-N174 PolarHBondContact O-N 3.23Å; N174-C333 WeakPolarHBondContact ND2-CA 3.39Å; N174-F337 HydrophobicContact CB-CE2 3.87Å; N174-F337 HydrophobicContact CB-CZ 4.33Å; N174-F337 WeakPolarHBondContact ND2-CD2 3.15Å; N174-F337 CovalentContact ND2-CE2 1.78Å; N174-F337 WeakPolarHBondContact ND2-CE2 2.99Å; N174-F337 WeakPolarHBondContact ND2-CZ 3.2Å; N174-F337 WeakPolarHBondContact OD1-CD2 3.03Å; N174-F337 WeakPolarHBondContact OD1-CE1 3.38Å; N174-F337 WeakPolarHBondContact OD1-CE2 3.26Å; N174-F337 WeakPolarHBondContact OD1-CG 3.42Å; N174-F337 WeakPolarHBondContact OD1-CZ 3.41Å |
| 175 | N | 44.6 | Very low | 42.4 | Very low | 87 Ų | 87 | 73.5 Ų | 73.5 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | H | α-helix | 0 | -19.6 | 0 | -72.1 | -22.3 | 0 | 0 | 0 | 110.9 | S171 F172 | S171-N175 WeakPolarHBondContact O-CB 3.24Å; S171-N175 PolarHBondContact O-N 3.43Å; S171-N175 PolarHBondContact O-ND2 2.97Å; F172-N175 PolarHBondContact O-N 3.33Å | |
| 176 | S | 35.7 | Very low | 42.4 | Very low | 14 Ų | 14 | 75 Ų | 75 | 10% | 0.098 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -82.9 | -23.6 | 176.9 | 60.1 | 0 | 0 | 0 | 0 | 110.9 | F172 V173 L189 | F172-S176 WeakPolarHBondContact O-CB 3.37Å; F172-S176 PolarHBondContact O-N 3.46Å; F172-S176 PolarHBondContact O-OG 3.17Å; F172-S176 VanDerWaalsContact O-OG 3.1Å; V173-S176 PolarHBondContact O-OG 3.05Å; S176-L189 WeakPolarHBondContact O-CD2 3.04Å |
| 177 | K | 39.4 | Very low | 42.6 | Very low | 43 Ų | 43 | 81.2 Ų | 81.2 | 19% | 0.187 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -80.4 | -15.8 | 174.4 | -87.6 | -173.5 | -178.4 | 178 | 0 | 111 | Y339 | K177-Y339 HydrophobicContact CD-CD1 4.31Å; K177-Y339 HydrophobicContact CD-CD2 2.95Å; K177-Y339 HydrophobicContact CD-CE2 3.64Å; K177-Y339 HydrophobicContact CD-CG 3.36Å; K177-Y339 VanDerWaalsContact CE-CD1 3.41Å; K177-Y339 HydrophobicContact CG-CD2 3.87Å; K177-Y339 HydrophobicContact CG-CE2 4.04Å; K177-Y339 HydrophobicContact CG-CG 4.43Å; K177-Y339 CovalentContact NZ-CB 1.69Å; K177-Y339 VanDerWaalsContact NZ-CD1 3.29Å |
| 178 | K | 44.6 | Very low | 42.9 | Very low | 52 Ų | 52 | 84.6 Ų | 84.6 | 23% | 0.226 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -97.4 | -12.2 | 179.9 | -82.3 | -175.4 | -177.1 | -179.3 | 0 | 110.6 | R336 | K178-R336 CovalentContact CB-NH1 1.23Å; K178-R336 HydrophobicContact CD-CB 4.05Å; K178-R336 HydrophobicContact CD-CG 3.14Å; K178-R336 CovalentContact CD-CZ 1.69Å; K178-R336 CovalentContact CD-NE 1.7Å; K178-R336 CovalentContact CE-CD 1.65Å; K178-R336 VanDerWaalsContact CE-NH1 3.27Å; K178-R336 HydrophobicContact CG-CB 3.87Å; K178-R336 CovalentContact CG-CD 1.52Å; K178-R336 HydrophobicContact CG-CG 3.03Å; K178-R336 CovalentContact CG-NH1 1.61Å |
| 179 | S | 43.6 | Very low | 42.8 | Very low | 52 Ų | 52 | 78 Ų | 78 | 36% | 0.364 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -97.1 | 0 | 177.5 | 119.5 | 0 | 0 | 0 | 0 | 110.3 | N181 S182 | S179-N181 PolarHBondContact O-N 3.31Å; S179-N181 VanDerWaalsContact O-N 3.15Å; S179-S182 PolarHBondContact O-N 2.9Å; S179-S182 PolarHBondContact O-OG 3.19Å |
| 180 | E | 40.2 | Very low | 42.8 | Very low | 72 Ų | 72 | 78.1 Ų | 78.1 | 34% | 0.336 | 41% | 0.406 | S | S | . | . | G | 310 helix | 0 | 0 | 0 | -90.9 | -175.9 | 177.9 | 0 | 0 | 110.6 | L189 | E180-L189 HydrophobicContact CG-CD1 4.5Å; E180-L189 HydrophobicContact CG-CD2 4.36Å | |
| 181 | N | 43.5 | Very low | 43 | Very low | 166 Ų | 166 | 79.1 Ų | 79.1 | 89% | 0.888 | 41% | 0.411 | S | S | * | . | G | 310 helix | 0 | 24.8 | 0 | -79.2 | -13.7 | 0 | 0 | 0 | 110.6 | S179 | S179-N181 PolarHBondContact O-N 3.31Å; S179-N181 VanDerWaalsContact O-N 3.15Å | |
| 182 | S | 42.1 | Very low | 42.9 | Very low | 57 Ų | 57 | 82.8 Ų | 82.8 | 40% | 0.399 | 43% | 0.427 | S | S | . | . | S | Bend | trans | -136.7 | 89.8 | 172.1 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | S179 H184 | S179-S182 PolarHBondContact O-N 2.9Å; S179-S182 PolarHBondContact O-OG 3.19Å; S182-H184 WeakPolarHBondContact O-CA 3.39Å; S182-H184 WeakPolarHBondContact O-CB 3.48Å; S182-H184 PolarHBondContact O-N 2.89Å |
| 183 | N | 44.7 | Very low | 42.7 | Very low | 174 Ų | 174 | 82.1 Ų | 82.1 | 93% | 0.93 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 15.4 | 0 | 157 | -89.3 | -8.4 | 0 | 0 | 0 | 112 | ||
| 184 | H | 46.2 | Very low | 42.9 | Very low | 142 Ų | 142 | 86.1 Ų | 86.1 | 66% | 0.657 | 44% | 0.442 | S | S | * | . | S | Bend | 0 | 101.5 | 0 | -93.1 | -26.3 | 0 | 0 | 0 | 109 | S182 P186 | S182-H184 WeakPolarHBondContact O-CA 3.39Å; S182-H184 WeakPolarHBondContact O-CB 3.48Å; S182-H184 PolarHBondContact O-N 2.89Å; H184-P186 WeakPolarHBondContact O-CD 3.5Å | |
| 185 | N | 47.2 | Very low | 42.9 | Very low | 117 Ų | 117 | 90.4 Ų | 90.4 | 63% | 0.626 | 47% | 0.465 | S | S | * | . | trans | 3.5 | 0 | 171.7 | -112.5 | -14.5 | 0 | 0 | 0 | 111.9 | R187 L188 | N185-R187 PolarHBondContact O-N 3.3Å; N185-L188 HydrophobicContact CB-CB 4.26Å; N185-L188 WeakPolarHBondContact O-CB 3.31Å; N185-L188 PolarHBondContact O-N 2.91Å | ||
| 186 | P | 41.6 | Very low | 42.7 | Very low | 79 Ų | 79 | 87.5 Ų | 87.5 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | 0 | -21.8 | 0 | 9.5 | -9.2 | 0 | 0 | 0 | 111.8 | H184 V190 | H184-P186 WeakPolarHBondContact O-CD 3.5Å; P186-V190 WeakPolarHBondContact O-CG2 3.33Å; P186-V190 PolarHBondContact O-N 3.45Å; P186-V190 VanDerWaalsContact O-N 3.15Å | |
| 187 | R | 46.7 | Very low | 42.8 | Very low | 206 Ų | 206 | 92 Ų | 92 | 78% | 0.777 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -80.7 | -33.6 | -179.8 | -92.4 | -176.8 | -177.2 | 176.3 | 0.7 | 111.2 | N185 L189 D191 | N185-R187 PolarHBondContact O-N 3.3Å; R187-L189 VanDerWaalsContact C-N 3.33Å; R187-D191 WeakPolarHBondContact O-CB 2.93Å; R187-D191 VanDerWaalsContact O-CG 3.29Å; R187-D191 PolarHBondContact O-N 3.48Å |
| 188 | L | 47.8 | Very low | 43 | Very low | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.9 | -34.7 | 177 | -157.8 | 102.1 | 0 | 0 | 0 | 111.1 | N185 D191 Q192 | N185-L188 HydrophobicContact CB-CB 4.26Å; N185-L188 WeakPolarHBondContact O-CB 3.31Å; N185-L188 PolarHBondContact O-N 2.91Å; L188-D191 PolarHBondContact O-N 3.41Å; L188-Q192 WeakPolarHBondContact O-CB 3.01Å; L188-Q192 WeakPolarHBondContact O-CG 3.36Å; L188-Q192 PolarHBondContact O-N 2.7Å |
| 189 | L | 39.1 | Very low | 42.9 | Very low | 14 Ų | 14 | 95.4 Ų | 95.4 | 7% | 0.073 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -73.1 | -41.3 | 179.3 | -136.5 | 124.4 | 0 | 0 | 0 | 110.5 | S176 E180 R187 D191 Q192 L193 | S176-L189 WeakPolarHBondContact O-CD2 3.04Å; E180-L189 HydrophobicContact CG-CD1 4.5Å; E180-L189 HydrophobicContact CG-CD2 4.36Å; R187-L189 VanDerWaalsContact C-N 3.33Å; L189-D191 VanDerWaalsContact C-N 3.31Å; L189-Q192 PolarHBondContact O-N 3.28Å; L189-L193 HydrophobicContact CD2-CD1 3.9Å; L189-L193 VanDerWaalsContact O-CB 3.31Å; L189-L193 WeakPolarHBondContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CD1 3.07Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.78Å |
| 190 | V | 40.7 | Very low | 42.7 | Very low | 67 Ų | 67 | 93.5 Ų | 93.5 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 174.4 | 171.7 | 0 | 0 | 0 | 0 | 109.3 | P186 Q192 L193 Q194 | P186-V190 WeakPolarHBondContact O-CG2 3.33Å; P186-V190 PolarHBondContact O-N 3.45Å; P186-V190 VanDerWaalsContact O-N 3.15Å; V190-Q192 VanDerWaalsContact C-N 3.28Å; V190-L193 PolarHBondContact O-N 3.32Å; V190-Q194 HydrophobicContact CG1-CG 4.4Å; V190-Q194 VanDerWaalsContact O-CB 3.31Å; V190-Q194 WeakPolarHBondContact O-CB 3.44Å; V190-Q194 WeakPolarHBondContact O-CG 3.35Å; V190-Q194 PolarHBondContact O-N 3.36Å |
| 191 | D | 47 | Very low | 42.7 | Very low | 98 Ų | 98 | 94 Ų | 94 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -36.4 | 177.8 | -80.1 | -13 | 0 | 0 | 0 | 111.1 | R187 L188 L189 L193 Q194 N195 | R187-D191 WeakPolarHBondContact O-CB 2.93Å; R187-D191 VanDerWaalsContact O-CG 3.29Å; R187-D191 PolarHBondContact O-N 3.48Å; L188-D191 PolarHBondContact O-N 3.41Å; L189-D191 VanDerWaalsContact C-N 3.31Å; D191-L193 VanDerWaalsContact C-N 3.33Å; D191-Q194 PolarHBondContact O-N 2.87Å; D191-N195 WeakPolarHBondContact O-CB 3.5Å; D191-N195 PolarHBondContact O-N 3.06Å |
| 192 | Q | 41.7 | Very low | 42.6 | Very low | 95 Ų | 95 | 89.3 Ų | 89.3 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74 | -35.8 | -178.3 | -75 | -176.6 | -24 | 0 | 0 | 110.3 | L188 L189 V190 N195 A196 | L188-Q192 WeakPolarHBondContact O-CB 3.01Å; L188-Q192 WeakPolarHBondContact O-CG 3.36Å; L188-Q192 PolarHBondContact O-N 2.7Å; L189-Q192 PolarHBondContact O-N 3.28Å; V190-Q192 VanDerWaalsContact C-N 3.28Å; Q192-N195 WeakPolarHBondContact O-CB 3.4Å; Q192-N195 PolarHBondContact O-N 3.46Å; Q192-A196 WeakPolarHBondContact O-CB 3.37Å; Q192-A196 PolarHBondContact O-N 3.28Å |
| 193 | L | 37.6 | Very low | 42.6 | Very low | 44 Ų | 44 | 88.3 Ų | 88.3 | 23% | 0.23 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -70.1 | -41.1 | 177 | -82 | 162.9 | 0 | 0 | 0 | 110.2 | V173 L189 V190 D191 N195 A196 N197 | V173-L193 HydrophobicContact CG1-CD2 4.45Å; V173-L193 HydrophobicContact CG2-CD2 4.28Å; L189-L193 HydrophobicContact CD2-CD1 3.9Å; L189-L193 VanDerWaalsContact O-CB 3.31Å; L189-L193 WeakPolarHBondContact O-CB 3.28Å; L189-L193 WeakPolarHBondContact O-CD1 3.07Å; L189-L193 VanDerWaalsContact O-CG 3.27Å; L189-L193 WeakPolarHBondContact O-CG 3.3Å; L189-L193 PolarHBondContact O-N 2.78Å; V190-L193 PolarHBondContact O-N 3.32Å; D191-L193 VanDerWaalsContact C-N 3.33Å; L193-N195 PolarHBondContact O-N 2.96Å; L193-A196 PolarHBondContact O-N 3.31Å; L193-N197 WeakPolarHBondContact O-CB 3.23Å; L193-N197 PolarHBondContact O-N 2.82Å |
| 194 | Q | 42.9 | Very low | 42.5 | Very low | 122 Ų | 122 | 84 Ų | 84 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.1 | -34.5 | 174.4 | -79.9 | 178.9 | -15.7 | 0 | 0 | 110.6 | V190 D191 K198 | V190-Q194 HydrophobicContact CG1-CG 4.4Å; V190-Q194 VanDerWaalsContact O-CB 3.31Å; V190-Q194 WeakPolarHBondContact O-CB 3.44Å; V190-Q194 WeakPolarHBondContact O-CG 3.35Å; V190-Q194 PolarHBondContact O-N 3.36Å; D191-Q194 PolarHBondContact O-N 2.87Å; Q194-K198 WeakPolarHBondContact O-CB 3.39Å; Q194-K198 PolarHBondContact O-N 3.32Å |
| 195 | N | 44.9 | Very low | 42.2 | Very low | 92 Ų | 92 | 77.3 Ų | 77.3 | 49% | 0.492 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.8 | -38 | 178.9 | -159.5 | 22.4 | 0 | 0 | 0 | 110.9 | D191 Q192 L193 K198 I199 | D191-N195 WeakPolarHBondContact O-CB 3.5Å; D191-N195 PolarHBondContact O-N 3.06Å; Q192-N195 WeakPolarHBondContact O-CB 3.4Å; Q192-N195 PolarHBondContact O-N 3.46Å; L193-N195 PolarHBondContact O-N 2.96Å; N195-K198 WeakPolarHBondContact O-CB 3.06Å; N195-K198 PolarHBondContact O-N 2.05Å; N195-I199 WeakPolarHBondContact O-CB 3.48Å; N195-I199 WeakPolarHBondContact O-CD1 3.29Å; N195-I199 WeakPolarHBondContact O-CG1 3.43Å; N195-I199 PolarHBondContact O-N 3.28Å |
| 196 | A | 38.8 | Very low | 41.9 | Very low | 26 Ų | 26 | 72.4 Ų | 72.4 | 22% | 0.215 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -72.6 | -47.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q192 L193 K198 I199 A200 | Q192-A196 WeakPolarHBondContact O-CB 3.37Å; Q192-A196 PolarHBondContact O-N 3.28Å; L193-A196 PolarHBondContact O-N 3.31Å; A196-K198 PolarHBondContact O-N 3.18Å; A196-I199 PolarHBondContact O-N 3.08Å; A196-I199 VanDerWaalsContact O-N 3.16Å; A196-A200 WeakPolarHBondContact O-CB 2.63Å; A196-A200 PolarHBondContact O-N 3.42Å |
| 197 | N | 38.6 | Very low | 41.9 | Very low | 109 Ų | 109 | 73.1 Ų | 73.1 | 58% | 0.583 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -53.4 | -45.9 | 170.2 | -164.1 | 13.1 | 0 | 0 | 0 | 111.9 | L193 I199 A200 T201 | L193-N197 WeakPolarHBondContact O-CB 3.23Å; L193-N197 PolarHBondContact O-N 2.82Å; N197-I199 PolarHBondContact O-N 3.24Å; N197-A200 PolarHBondContact O-N 3.18Å; N197-T201 WeakPolarHBondContact O-CB 3.26Å; N197-T201 PolarHBondContact O-N 3.49Å; N197-T201 PolarHBondContact O-OG1 3.24Å; N197-T201 PolarHBondContact OD1-OG1 2.79Å |
| 198 | K | 43.8 | Very low | 41.7 | Very low | 127 Ų | 127 | 66.5 Ų | 66.5 | 55% | 0.552 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.7 | -37.3 | 176.4 | -172.1 | 178.2 | 174.8 | -179.2 | 0 | 111.4 | Q194 N195 A196 E202 | Q194-K198 WeakPolarHBondContact O-CB 3.39Å; Q194-K198 PolarHBondContact O-N 3.32Å; N195-K198 WeakPolarHBondContact O-CB 3.06Å; N195-K198 PolarHBondContact O-N 2.05Å; A196-K198 PolarHBondContact O-N 3.18Å; K198-E202 WeakPolarHBondContact CE-OE1 2.28Å; K198-E202 WeakPolarHBondContact O-CB 2.96Å; K198-E202 WeakPolarHBondContact O-CG 3.4Å; K198-E202 PolarHBondContact O-N 3.35Å |
| 199 | I | 42.5 | Very low | 41.3 | Very low | 40 Ų | 40 | 61.8 Ų | 61.8 | 21% | 0.205 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -74.8 | -42.9 | -176.9 | -70.4 | 174.6 | 0 | 0 | 0 | 109.1 | N195 A196 N197 E202 K203 P273 | N195-I199 WeakPolarHBondContact O-CB 3.48Å; N195-I199 WeakPolarHBondContact O-CD1 3.29Å; N195-I199 WeakPolarHBondContact O-CG1 3.43Å; N195-I199 PolarHBondContact O-N 3.28Å; A196-I199 PolarHBondContact O-N 3.08Å; A196-I199 VanDerWaalsContact O-N 3.16Å; N197-I199 PolarHBondContact O-N 3.24Å; I199-E202 CarbonylContact O-C 3.55Å; I199-E202 WeakPolarHBondContact O-CB 3.04Å; I199-E202 PolarHBondContact O-N 3.46Å; I199-K203 HydrophobicContact CG2-CD 4.02Å; I199-K203 VanDerWaalsContact CG2-CE 3.4Å; I199-K203 HydrophobicContact CG2-CG 4.09Å; I199-K203 WeakPolarHBondContact O-CB 3.27Å; I199-K203 WeakPolarHBondContact O-CG 3.5Å; I199-K203 PolarHBondContact O-N 2.75Å; I199-P273 HydrophobicContact CD1-CG 4.47Å |
| 200 | A | 39.5 | Very low | 41.4 | Very low | 11 Ų | 11 | 62.2 Ų | 62.2 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.1 | -50 | -179.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | I169 A196 N197 E202 K203 I204 | I169-A200 HydrophobicContact CD1-CB 3.61Å; A196-A200 WeakPolarHBondContact O-CB 2.63Å; A196-A200 PolarHBondContact O-N 3.42Å; N197-A200 PolarHBondContact O-N 3.18Å; A200-E202 PolarHBondContact O-N 2.58Å; A200-K203 PolarHBondContact O-N 2.76Å; A200-K203 VanDerWaalsContact O-N 3.15Å; A200-I204 WeakPolarHBondContact O-CB 2.43Å; A200-I204 VanDerWaalsContact O-CG1 3.24Å; A200-I204 WeakPolarHBondContact O-CG1 3.07Å; A200-I204 PolarHBondContact O-N 2.97Å |
| 201 | T | 40.2 | Very low | 41.4 | Very low | 83 Ų | 83 | 60.2 Ų | 60.2 | 51% | 0.509 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -54.7 | -42.7 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | N197 K203 G205 | N197-T201 WeakPolarHBondContact O-CB 3.26Å; N197-T201 PolarHBondContact O-N 3.49Å; N197-T201 PolarHBondContact O-OG1 3.24Å; N197-T201 PolarHBondContact OD1-OG1 2.79Å; T201-K203 VanDerWaalsContact C-N 3.28Å; T201-G205 WeakPolarHBondContact O-CA 2.83Å; T201-G205 PolarHBondContact O-N 3.27Å |
| 202 | E | 42.1 | Very low | 41.2 | Very low | 68 Ų | 68 | 55.9 Ų | 55.9 | 32% | 0.318 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 178.7 | -82.3 | -179.3 | 179.6 | 0 | 0 | 111.3 | K198 I199 A200 G205 V206 | K198-E202 WeakPolarHBondContact CE-OE1 2.28Å; K198-E202 WeakPolarHBondContact O-CB 2.96Å; K198-E202 WeakPolarHBondContact O-CG 3.4Å; K198-E202 PolarHBondContact O-N 3.35Å; I199-E202 CarbonylContact O-C 3.55Å; I199-E202 WeakPolarHBondContact O-CB 3.04Å; I199-E202 PolarHBondContact O-N 3.46Å; A200-E202 PolarHBondContact O-N 2.58Å; E202-G205 PolarHBondContact O-N 3.44Å; E202-V206 VanDerWaalsContact O-CB 3.27Å; E202-V206 WeakPolarHBondContact O-CB 3.41Å; E202-V206 WeakPolarHBondContact O-CG2 2.87Å; E202-V206 PolarHBondContact O-N 2.72Å |
| 203 | K | 41.8 | Very low | 41.2 | Very low | 36 Ų | 36 | 51.4 Ų | 51.4 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74 | -42 | -177.9 | -72.1 | -171.2 | 177.5 | -172.7 | 0 | 110.3 | I199 A200 T201 G205 F207 L269 | I199-K203 HydrophobicContact CG2-CD 4.02Å; I199-K203 VanDerWaalsContact CG2-CE 3.4Å; I199-K203 HydrophobicContact CG2-CG 4.09Å; I199-K203 WeakPolarHBondContact O-CB 3.27Å; I199-K203 WeakPolarHBondContact O-CG 3.5Å; I199-K203 PolarHBondContact O-N 2.75Å; A200-K203 PolarHBondContact O-N 2.76Å; A200-K203 VanDerWaalsContact O-N 3.15Å; T201-K203 VanDerWaalsContact C-N 3.28Å; K203-G205 VanDerWaalsContact C-N 3.34Å; K203-F207 WeakPolarHBondContact O-CB 3.38Å; K203-F207 PolarHBondContact O-N 2.98Å; K203-L269 WeakPolarHBondContact CE-O 3.38Å |
| 204 | I | 42.6 | Very low | 41.3 | Very low | 83 Ų | 83 | 53.8 Ų | 53.8 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66.5 | -44.1 | 176.6 | -71.1 | 173 | 0 | 0 | 0 | 109 | A200 F207 L208 | A200-I204 WeakPolarHBondContact O-CB 2.43Å; A200-I204 VanDerWaalsContact O-CG1 3.24Å; A200-I204 WeakPolarHBondContact O-CG1 3.07Å; A200-I204 PolarHBondContact O-N 2.97Å; I204-F207 WeakPolarHBondContact O-CB 3.44Å; I204-F207 PolarHBondContact O-N 2.92Å; I204-L208 HydrophobicContact CG2-CD1 3.92Å; I204-L208 HydrophobicContact CG2-CG 4.32Å; I204-L208 WeakPolarHBondContact O-CB 3.2Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 2.7Å |
| 205 | G | 40 | Very low | 41.2 | Very low | 2 Ų | 2 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.2 | -49.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | T201 E202 K203 F207 L208 A209 L242 | T201-G205 WeakPolarHBondContact O-CA 2.83Å; T201-G205 PolarHBondContact O-N 3.27Å; E202-G205 PolarHBondContact O-N 3.44Å; K203-G205 VanDerWaalsContact C-N 3.34Å; G205-F207 VanDerWaalsContact C-N 3.3Å; G205-L208 PolarHBondContact O-N 2.75Å; G205-A209 WeakPolarHBondContact O-CB 3.1Å; G205-A209 PolarHBondContact O-N 3.39Å; G205-L242 VanDerWaalsContact C-CD2 3.42Å; G205-L242 VanDerWaalsContact CA-CG 3.41Å; G205-L242 WeakPolarHBondContact O-CD1 3.49Å |
| 206 | V | 39.7 | Very low | 41 | Very low | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | -179.7 | 171.4 | 0 | 0 | 0 | 0 | 109.6 | E202 A209 L210 F266 L269 | E202-V206 VanDerWaalsContact O-CB 3.27Å; E202-V206 WeakPolarHBondContact O-CB 3.41Å; E202-V206 WeakPolarHBondContact O-CG2 2.87Å; E202-V206 PolarHBondContact O-N 2.72Å; V206-A209 CarbonylContact O-C 3.55Å; V206-A209 PolarHBondContact O-N 3.47Å; V206-L210 VanDerWaalsContact O-CB 3.25Å; V206-L210 WeakPolarHBondContact O-CB 3.38Å; V206-L210 PolarHBondContact O-N 3.39Å; V206-F266 HydrophobicContact CG1-CB 3.86Å; V206-F266 HydrophobicContact CG1-CD2 4.17Å; V206-L269 HydrophobicContact CG2-CD1 3.75Å |
| 207 | F | 41.4 | Very low | 41 | Very low | 93 Ų | 93 | 47.8 Ų | 47.8 | 41% | 0.408 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.9 | -49.2 | 177.1 | 173.6 | -99.9 | 0 | 0 | 0 | 110.4 | K203 I204 G205 A209 L210 A211 | K203-F207 WeakPolarHBondContact O-CB 3.38Å; K203-F207 PolarHBondContact O-N 2.98Å; I204-F207 WeakPolarHBondContact O-CB 3.44Å; I204-F207 PolarHBondContact O-N 2.92Å; G205-F207 VanDerWaalsContact C-N 3.3Å; F207-A209 VanDerWaalsContact C-N 3.25Å; F207-A209 PolarHBondContact O-N 3.46Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 3.43Å; F207-A211 WeakPolarHBondContact O-CB 3.42Å; F207-A211 PolarHBondContact O-N 3.09Å |
| 208 | L | 42.4 | Very low | 40.9 | Very low | 67 Ų | 67 | 44.1 Ų | 44.1 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.7 | 0 | -179 | -71.2 | 174.2 | 0 | 0 | 0 | 110.3 | I204 G205 A211 A212 L242 | I204-L208 HydrophobicContact CG2-CD1 3.92Å; I204-L208 HydrophobicContact CG2-CG 4.32Å; I204-L208 WeakPolarHBondContact O-CB 3.2Å; I204-L208 WeakPolarHBondContact O-CG 3.42Å; I204-L208 PolarHBondContact O-N 2.7Å; G205-L208 PolarHBondContact O-N 2.75Å; L208-A211 PolarHBondContact O-N 2.82Å; L208-A212 WeakPolarHBondContact O-CB 3.18Å; L208-A212 PolarHBondContact O-N 2.92Å; L208-L242 HydrophobicContact CB-CD1 3.4Å; L208-L242 VanDerWaalsContact CB-CD1 3.4Å; L208-L242 HydrophobicContact CD1-CD1 3.76Å; L208-L242 HydrophobicContact CG-CD1 4.16Å |
| 209 | A | 40.4 | Very low | 40.5 | Very low | 6 Ų | 6 | 43.2 Ų | 43.2 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | H | α-helix | 0 | -38.9 | 0 | 0 | 0 | 0 | 0 | 0 | 110.3 | G205 V206 F207 A211 A212 A213 L262 | G205-A209 WeakPolarHBondContact O-CB 3.1Å; G205-A209 PolarHBondContact O-N 3.39Å; V206-A209 CarbonylContact O-C 3.55Å; V206-A209 PolarHBondContact O-N 3.47Å; F207-A209 VanDerWaalsContact C-N 3.25Å; F207-A209 PolarHBondContact O-N 3.46Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A209-A212 PolarHBondContact O-N 3.2Å; A209-A213 VanDerWaalsContact O-CB 3.25Å; A209-A213 WeakPolarHBondContact O-CB 3.19Å; A209-A213 PolarHBondContact O-N 3.45Å; A209-L262 HydrophobicContact CB-CD1 4.11Å; A209-L262 HydrophobicContact CB-CD2 3.96Å | |
| 210 | L | 40.8 | Very low | 40.1 | Very low | 24 Ų | 24 | 42.8 Ų | 42.8 | 13% | 0.126 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.2 | -44.8 | 176 | -174.7 | 69.8 | 0 | 0 | 0 | 110.3 | V206 F207 A212 A213 I214 L262 I263 | V206-L210 VanDerWaalsContact O-CB 3.25Å; V206-L210 WeakPolarHBondContact O-CB 3.38Å; V206-L210 PolarHBondContact O-N 3.39Å; F207-L210 WeakPolarHBondContact O-CB 3.23Å; F207-L210 PolarHBondContact O-N 3.43Å; L210-A212 PolarHBondContact O-N 3.03Å; L210-A213 PolarHBondContact O-N 3.23Å; L210-I214 HydrophobicContact CD1-CD1 4.43Å; L210-I214 HydrophobicContact CD1-CG1 4.48Å; L210-I214 HydrophobicContact CD2-CD1 4.48Å; L210-I214 HydrophobicContact CG-CD1 3.91Å; L210-I214 HydrophobicContact CG-CG1 4.34Å; L210-I214 WeakPolarHBondContact O-CB 3.5Å; L210-I214 WeakPolarHBondContact O-CG1 3.5Å; L210-I214 PolarHBondContact O-N 3.24Å; L210-L262 HydrophobicContact CD1-CB 4.05Å; L210-I263 HydrophobicContact CD1-CD1 4.45Å; L210-I263 HydrophobicContact CD1-CG1 3.43Å; L210-I263 VanDerWaalsContact CD1-CG1 3.43Å |
| 211 | A | 41.5 | Very low | 39.9 | Very low | 24 Ų | 24 | 45.5 Ų | 45.5 | 20% | 0.198 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.3 | -37.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F207 L208 A209 Q215 | F207-A211 WeakPolarHBondContact O-CB 3.42Å; F207-A211 PolarHBondContact O-N 3.09Å; L208-A211 PolarHBondContact O-N 2.82Å; A209-A211 VanDerWaalsContact C-N 3.34Å; A211-Q215 WeakPolarHBondContact O-CB 3.03Å; A211-Q215 VanDerWaalsContact O-CG 3.27Å; A211-Q215 WeakPolarHBondContact O-CG 3.5Å; A211-Q215 PolarHBondContact O-N 3.42Å; A211-Q215 VanDerWaalsContact O-N 3.17Å |
| 212 | A | 42.2 | Very low | 39.9 | Very low | 7 Ų | 7 | 44.9 Ų | 44.9 | 6% | 0.058 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -72.9 | -44.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | L208 A209 L210 I214 Q215 L216 P239 | L208-A212 WeakPolarHBondContact O-CB 3.18Å; L208-A212 PolarHBondContact O-N 2.92Å; A209-A212 PolarHBondContact O-N 3.2Å; L210-A212 PolarHBondContact O-N 3.03Å; A212-I214 VanDerWaalsContact C-N 3.32Å; A212-Q215 CarbonylContact O-C 3.12Å; A212-Q215 VanDerWaalsContact O-CB 3.25Å; A212-Q215 WeakPolarHBondContact O-CB 3.1Å; A212-Q215 PolarHBondContact O-N 2.78Å; A212-L216 WeakPolarHBondContact O-CB 3.27Å; A212-L216 PolarHBondContact O-N 2.88Å; A212-P239 HydrophobicContact CB-CB 2.66Å; A212-P239 HydrophobicContact CB-CG 2.59Å |
| 213 | A | 40.7 | Very low | 39.4 | Very low | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -40.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111 | A209 L210 Q215 L216 N217 M258 V259 L262 | A209-A213 VanDerWaalsContact O-CB 3.25Å; A209-A213 WeakPolarHBondContact O-CB 3.19Å; A209-A213 PolarHBondContact O-N 3.45Å; L210-A213 PolarHBondContact O-N 3.23Å; A213-Q215 PolarHBondContact O-N 3.4Å; A213-L216 CarbonylContact O-C 3.34Å; A213-L216 WeakPolarHBondContact O-CB 3.23Å; A213-L216 PolarHBondContact O-N 3.28Å; A213-N217 WeakPolarHBondContact O-CB 3.27Å; A213-N217 PolarHBondContact O-N 3.15Å; A213-M258 HydrophobicContact CB-CE 3.69Å; A213-V259 HydrophobicContact CB-CG2 3.67Å; A213-L262 HydrophobicContact CB-CD1 3.54Å |
| 214 | I | 40.3 | Very low | 38.9 | Very low | 95 Ų | 95 | 61.1 Ų | 61.1 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | 178.2 | -71.8 | 175 | 0 | 0 | 0 | 108.8 | L210 A212 S218 | L210-I214 HydrophobicContact CD1-CD1 4.43Å; L210-I214 HydrophobicContact CD1-CG1 4.48Å; L210-I214 HydrophobicContact CD2-CD1 4.48Å; L210-I214 HydrophobicContact CG-CD1 3.91Å; L210-I214 HydrophobicContact CG-CG1 4.34Å; L210-I214 WeakPolarHBondContact O-CB 3.5Å; L210-I214 WeakPolarHBondContact O-CG1 3.5Å; L210-I214 PolarHBondContact O-N 3.24Å; A212-I214 VanDerWaalsContact C-N 3.32Å; I214-S218 WeakPolarHBondContact O-CB 3.34Å; I214-S218 PolarHBondContact O-N 3.45Å; I214-S218 PolarHBondContact O-OG 3.06Å |
| 215 | Q | 40.9 | Very low | 38.4 | Very low | 47 Ų | 47 | 60.9 Ų | 60.9 | 22% | 0.22 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.9 | -42.5 | 176.2 | -84 | -175.4 | -2.7 | 0 | 0 | 111.1 | W112 A211 A212 A213 S218 R219 | W112-Q215 HydrophobicContact CZ3-CG 4.36Å; A211-Q215 WeakPolarHBondContact O-CB 3.03Å; A211-Q215 VanDerWaalsContact O-CG 3.27Å; A211-Q215 WeakPolarHBondContact O-CG 3.5Å; A211-Q215 PolarHBondContact O-N 3.42Å; A211-Q215 VanDerWaalsContact O-N 3.17Å; A212-Q215 CarbonylContact O-C 3.12Å; A212-Q215 VanDerWaalsContact O-CB 3.25Å; A212-Q215 WeakPolarHBondContact O-CB 3.1Å; A212-Q215 PolarHBondContact O-N 2.78Å; A213-Q215 PolarHBondContact O-N 3.4Å; Q215-S218 WeakPolarHBondContact CA-OG 3.43Å; Q215-S218 PolarHBondContact O-OG 3.39Å; Q215-R219 VanDerWaalsContact O-CG 3.27Å; Q215-R219 WeakPolarHBondContact O-CG 3.22Å; Q215-R219 PolarHBondContact O-N 2.78Å |
| 216 | L | 40.6 | Very low | 37.9 | Very low | 25 Ų | 25 | 63.6 Ų | 63.6 | 13% | 0.131 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.7 | -161.2 | 98.5 | 0 | 0 | 0 | 111.1 | A212 A213 S218 R219 L220 F232 P249 T255 M258 | A212-L216 WeakPolarHBondContact O-CB 3.27Å; A212-L216 PolarHBondContact O-N 2.88Å; A213-L216 CarbonylContact O-C 3.34Å; A213-L216 WeakPolarHBondContact O-CB 3.23Å; A213-L216 PolarHBondContact O-N 3.28Å; L216-S218 VanDerWaalsContact C-N 3.31Å; L216-R219 WeakPolarHBondContact O-CB 3.48Å; L216-R219 PolarHBondContact O-N 2.84Å; L216-R219 VanDerWaalsContact O-N 3.09Å; L216-L220 HydrophobicContact CD2-CD1 3.97Å; L216-L220 HydrophobicContact CG-CD1 4.3Å; L216-L220 WeakPolarHBondContact O-CG 3.26Å; L216-L220 PolarHBondContact O-N 3.38Å; L216-F232 HydrophobicContact CD1-CD1 4.14Å; L216-F232 HydrophobicContact CD1-CE1 2.77Å; L216-F232 HydrophobicContact CD1-CE2 3.9Å; L216-F232 HydrophobicContact CD1-CZ 2.59Å; L216-F232 HydrophobicContact CG-CE1 4.22Å; L216-F232 HydrophobicContact CG-CZ 3.69Å; L216-P249 HydrophobicContact CD2-CG 3.6Å; L216-T255 HydrophobicContact CD2-CG2 3.68Å; L216-M258 HydrophobicContact CD2-CE 4.02Å |
| 217 | N | 38.2 | Very low | 37.6 | Very low | 42 Ų | 42 | 66.5 Ų | 66.5 | 23% | 0.225 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 178.8 | -165.2 | 37 | 0 | 0 | 0 | 110.9 | A213 R219 L220 C221 T255 V259 | A213-N217 WeakPolarHBondContact O-CB 3.27Å; A213-N217 PolarHBondContact O-N 3.15Å; N217-R219 PolarHBondContact O-N 3.15Å; N217-L220 PolarHBondContact O-N 3.27Å; N217-C221 VanDerWaalsContact O-CB 3.26Å; N217-C221 WeakPolarHBondContact O-CB 3.45Å; N217-C221 PolarHBondContact O-N 3.38Å; N217-C221 PolarHBondContact O-SG 3.45Å; N217-T255 HydrophobicContact CB-CG2 4.04Å; N217-V259 HydrophobicContact CB-CG2 4.16Å |
| 218 | S | 37.3 | Very low | 37.3 | Very low | 31 Ų | 31 | 65 Ų | 65 | 22% | 0.217 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.3 | -28 | 177.7 | 67.7 | 0 | 0 | 0 | 0 | 111 | W112 I214 Q215 L216 S222 | W112-S218 WeakPolarHBondContact CH2-OG 3.49Å; I214-S218 WeakPolarHBondContact O-CB 3.34Å; I214-S218 PolarHBondContact O-N 3.45Å; I214-S218 PolarHBondContact O-OG 3.06Å; Q215-S218 WeakPolarHBondContact CA-OG 3.43Å; Q215-S218 PolarHBondContact O-OG 3.39Å; L216-S218 VanDerWaalsContact C-N 3.31Å; S218-S222 WeakPolarHBondContact O-CB 3.26Å; S218-S222 PolarHBondContact O-N 2.83Å; S218-S222 PolarHBondContact O-OG 3.42Å |
| 219 | R | 35.9 | Very low | 36.9 | Very low | 108 Ų | 108 | 67.9 Ų | 67.9 | 41% | 0.408 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -84.8 | -31.3 | -178.4 | -76.6 | -159.6 | 176 | 178.9 | 1.6 | 110.7 | Q215 L216 N217 S222 | Q215-R219 VanDerWaalsContact O-CG 3.27Å; Q215-R219 WeakPolarHBondContact O-CG 3.22Å; Q215-R219 PolarHBondContact O-N 2.78Å; L216-R219 WeakPolarHBondContact O-CB 3.48Å; L216-R219 PolarHBondContact O-N 2.84Å; L216-R219 VanDerWaalsContact O-N 3.09Å; N217-R219 PolarHBondContact O-N 3.15Å; R219-S222 VanDerWaalsContact CA-OG 3.27Å; R219-S222 WeakPolarHBondContact CA-OG 3.29Å; R219-S222 PolarHBondContact O-OG 3.34Å |
| 220 | L | 33.8 | Very low | 36.6 | Very low | 31 Ų | 31 | 75.7 Ų | 75.7 | 16% | 0.162 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -80.8 | 0 | 179 | -74.7 | 168.9 | 0 | 0 | 0 | 110.5 | L216 N217 I228 L252 T255 | L216-L220 HydrophobicContact CD2-CD1 3.97Å; L216-L220 HydrophobicContact CG-CD1 4.3Å; L216-L220 WeakPolarHBondContact O-CG 3.26Å; L216-L220 PolarHBondContact O-N 3.38Å; N217-L220 PolarHBondContact O-N 3.27Å; L220-I228 HydrophobicContact CD2-CD1 3.18Å; L220-I228 HydrophobicContact CG-CD1 4.29Å; L220-L252 VanDerWaalsContact C-CD1 3.49Å; L220-L252 HydrophobicContact CB-CD1 3.74Å; L220-L252 VanDerWaalsContact O-CD1 3.23Å; L220-L252 WeakPolarHBondContact O-CD1 3.33Å; L220-T255 HydrophobicContact CD1-CG2 3.41Å; L220-T255 VanDerWaalsContact CD1-CG2 3.41Å; L220-T255 WeakPolarHBondContact CD1-OG1 3.25Å |
| 221 | C | 36.1 | Very low | 36.1 | Very low | 68 Ų | 68 | 82.3 Ų | 82.3 | 46% | 0.459 | 44% | 0.444 | S | S | . | . | H | α-helix | 0 | -8.3 | 0 | -71.5 | 0 | 0 | 0 | 0 | 109.8 | N217 R223 | N217-C221 VanDerWaalsContact O-CB 3.26Å; N217-C221 WeakPolarHBondContact O-CB 3.45Å; N217-C221 PolarHBondContact O-N 3.38Å; N217-C221 PolarHBondContact O-SG 3.45Å; C221-R223 PolarHBondContact O-N 2.84Å | |
| 222 | S | 38.9 | Very low | 35.6 | Very low | 71 Ų | 71 | 83.6 Ų | 83.6 | 50% | 0.497 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -103.5 | 0 | -177.7 | 8.6 | 0 | 0 | 0 | 0 | 109.3 | S218 R219 | S218-S222 WeakPolarHBondContact O-CB 3.26Å; S218-S222 PolarHBondContact O-N 2.83Å; S218-S222 PolarHBondContact O-OG 3.42Å; R219-S222 VanDerWaalsContact CA-OG 3.27Å; R219-S222 WeakPolarHBondContact CA-OG 3.29Å; R219-S222 PolarHBondContact O-OG 3.34Å |
| 223 | R | 32.1 | Very low | 35.1 | Very low | 176 Ų | 176 | 90 Ų | 90 | 66% | 0.664 | 48% | 0.479 | S | S | * | . | 0 | 84.1 | 0 | -93.2 | -171.3 | -176.9 | -178 | 1 | 109.2 | C221 G225 C226 | C221-R223 PolarHBondContact O-N 2.84Å; R223-G225 PolarHBondContact O-N 2.85Å; R223-C226 HydrophobicContact CB-CB 4.11Å; R223-C226 PolarHBondContact NH1-SG 3.45Å; R223-C226 VanDerWaalsContact NH1-SG 3.4Å | |||
| 224 | R | 30.9 | Very low | 34.6 | Very low | 269 Ų | 269 | 95.8 Ų | 95.8 | 100% | 1.015 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -31.1 | 0 | 149.2 | -96.3 | -172.7 | -161 | -171.6 | -0.5 | 111.3 | ||
| 225 | G | 32.8 | Very low | 34.1 | Very low | 78 Ų | 78 | 95.8 Ų | 95.8 | 80% | 0.804 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 36.1 | 0 | 0 | 0 | 0 | 0 | 0 | 111 | R223 | R223-G225 PolarHBondContact O-N 2.85Š| |
| 226 | C | 28.5 | Very low | 33.4 | Very low | 59 Ų | 59 | 94.6 Ų | 94.6 | 40% | 0.399 | 50% | 0.5 | S | S | . | . | trans | -139.8 | 88.1 | -176.4 | -156.3 | 0 | 0 | 0 | 0 | 108.9 | R223 I228 | R223-C226 HydrophobicContact CB-CB 4.11Å; R223-C226 PolarHBondContact NH1-SG 3.45Å; R223-C226 VanDerWaalsContact NH1-SG 3.4Å; C226-I228 WeakPolarHBondContact O-CG1 3.36Å; C226-I228 PolarHBondContact O-N 3Å | ||
| 227 | G | 34.1 | Very low | 32.8 | Very low | 75 Ų | 75 | 97 Ų | 97 | 77% | 0.773 | 51% | 0.512 | S | S | * | . | trans | 14.1 | 53.5 | 149 | 0 | 0 | 0 | 0 | 0 | 112.5 | T229 | G227-T229 PolarHBondContact O-N 3.32Š| ||
| 228 | I | 35.2 | Very low | 32.3 | Very low | 62 Ų | 62 | 97.4 Ų | 97.4 | 32% | 0.318 | 52% | 0.521 | S | S | . | . | trans | -72 | 30.6 | -173.8 | -59.9 | 172.2 | 0 | 0 | 0 | 108.5 | L220 C226 F232 | L220-I228 HydrophobicContact CD2-CD1 3.18Å; L220-I228 HydrophobicContact CG-CD1 4.29Å; C226-I228 WeakPolarHBondContact O-CG1 3.36Å; C226-I228 PolarHBondContact O-N 3Å; I228-F232 HydrophobicContact CG2-CD2 3.23Å; I228-F232 HydrophobicContact CG2-CE2 3.05Å; I228-F232 HydrophobicContact CG2-CZ 4.25Å | ||
| 229 | T | 34.2 | Very low | 31.9 | Very low | 126 Ų | 126 | 96.5 Ų | 96.5 | 77% | 0.773 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -119 | 0 | -176.4 | 41.7 | 0 | 0 | 0 | 0 | 109.2 | G227 | G227-T229 PolarHBondContact O-N 3.32Š|
| 230 | E | 32.7 | Very low | 31.4 | Very low | 170 Ų | 170 | 95 Ų | 95 | 79% | 0.794 | 51% | 0.514 | S | S | * | . | S | Bend | 0 | 14.6 | 0 | -88.2 | 179.8 | -178 | 0 | 0 | 109.9 | |||
| 231 | K | 31.9 | Very low | 31 | Very low | 163 Ų | 163 | 101 Ų | 101 | 71% | 0.709 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -136.5 | 7 | 178.3 | -84.9 | -172.5 | -177.5 | -180 | 0 | 110 | D233 | K231-D233 VanDerWaalsContact C-N 3.27Š|
| 232 | F | 30.6 | Very low | 30.7 | Very low | 51 Ų | 51 | 100.7 Ų | 100.7 | 22% | 0.224 | 53% | 0.533 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -9.4 | 177 | -117.7 | -91.1 | 0 | 0 | 0 | 110.3 | L216 I228 E234 | L216-F232 HydrophobicContact CD1-CD1 4.14Å; L216-F232 HydrophobicContact CD1-CE1 2.77Å; L216-F232 HydrophobicContact CD1-CE2 3.9Å; L216-F232 HydrophobicContact CD1-CZ 2.59Å; L216-F232 HydrophobicContact CG-CE1 4.22Å; L216-F232 HydrophobicContact CG-CZ 3.69Å; I228-F232 HydrophobicContact CG2-CD2 3.23Å; I228-F232 HydrophobicContact CG2-CE2 3.05Å; I228-F232 HydrophobicContact CG2-CZ 4.25Å; F232-E234 VanDerWaalsContact C-N 3.28Å; F232-E234 PolarHBondContact O-N 3.46Å |
| 233 | D | 30.5 | Very low | 30.2 | Very low | 143 Ų | 143 | 99 Ų | 99 | 77% | 0.765 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 2.3 | 175.5 | -81 | -17.7 | 0 | 0 | 0 | 110.7 | K231 | K231-D233 VanDerWaalsContact C-N 3.27Š|
| 234 | E | 30.4 | Very low | 30 | Very low | 121 Ų | 121 | 95.5 Ų | 95.5 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 0 | -170.5 | -83.3 | -178.4 | 179.6 | 0 | 0 | 110.1 | F232 | F232-E234 VanDerWaalsContact C-N 3.28Å; F232-E234 PolarHBondContact O-N 3.46Å |
| 235 | H | 29.8 | Very low | 29.9 | Very low | 95 Ų | 95 | 92.2 Ų | 92.2 | 44% | 0.44 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -72.3 | -55 | 0 | 0 | 0 | 109.6 | |||
| 236 | C | 26.3 | Very low | 29.8 | Very low | 22 Ų | 22 | 92.1 Ų | 92.1 | 15% | 0.149 | 50% | 0.497 | C | S | . | . | 0 | 65.4 | 0 | -92.3 | 0 | 0 | 0 | 0 | 109.2 | A238 P239 L240 | C236-A238 PolarHBondContact O-N 2.98Å; C236-P239 VanDerWaalsContact C-CD 3.46Å; C236-P239 HydrophobicContact CB-CG 3.97Å; C236-L240 WeakPolarHBondContact O-CB 3.18Å; C236-L240 WeakPolarHBondContact O-CD1 3.2Å; C236-L240 WeakPolarHBondContact O-CG 3.23Å | |||
| 237 | I | 28.3 | Very low | 30.1 | Very low | 77 Ų | 77 | 99 Ų | 99 | 40% | 0.395 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -72.7 | -5.2 | -173.1 | -53.8 | 172.8 | 0 | 0 | 0 | 108.9 | L240 F241 | I237-L240 HydrophobicContact CG1-CD1 4.33Å; I237-L240 PolarHBondContact O-N 3.28Å; I237-F241 HydrophobicContact CG2-CD2 3.93Å; I237-F241 HydrophobicContact CG2-CE2 3.34Å; I237-F241 HydrophobicContact CG2-CZ 4.38Å; I237-F241 WeakPolarHBondContact O-CD2 3Å |
| 238 | A | 28 | Very low | 30.3 | Very low | 50 Ų | 50 | 101.1 Ų | 101.1 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 0 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | C236 | C236-A238 PolarHBondContact O-N 2.98Š|
| 239 | P | 28.7 | Very low | 30.6 | Very low | 11 Ų | 11 | 99.5 Ų | 99.5 | 7% | 0.071 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -4.8 | 13.8 | 0 | 0 | 0 | 111.9 | A212 C236 L243 | A212-P239 HydrophobicContact CB-CB 2.66Å; A212-P239 HydrophobicContact CB-CG 2.59Å; C236-P239 VanDerWaalsContact C-CD 3.46Å; C236-P239 HydrophobicContact CB-CG 3.97Å; P239-L243 HydrophobicContact CB-CD1 3.3Å; P239-L243 HydrophobicContact CB-CG 4.35Å; P239-L243 WeakPolarHBondContact O-CB 3.46Å; P239-L243 WeakPolarHBondContact O-CD1 3.39Å; P239-L243 WeakPolarHBondContact O-CG 3.11Å; P239-L243 PolarHBondContact O-N 3.1Å; P239-L243 VanDerWaalsContact O-N 3.09Å | |
| 240 | L | 25.5 | Very low | 30.9 | Very low | 78 Ų | 78 | 99.9 Ų | 99.9 | 41% | 0.408 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | -89.7 | 153 | 0 | 0 | 0 | 110.7 | C236 I237 | C236-L240 WeakPolarHBondContact O-CB 3.18Å; C236-L240 WeakPolarHBondContact O-CD1 3.2Å; C236-L240 WeakPolarHBondContact O-CG 3.23Å; I237-L240 HydrophobicContact CG1-CD1 4.33Å; I237-L240 PolarHBondContact O-N 3.28Å | |
| 241 | F | 26.3 | Very low | 31.3 | Very low | 156 Ų | 156 | 94.8 Ų | 94.8 | 68% | 0.684 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | -8.8 | 0 | -83.3 | -77 | 0 | 0 | 0 | 110.2 | I237 | I237-F241 HydrophobicContact CG2-CD2 3.93Å; I237-F241 HydrophobicContact CG2-CE2 3.34Å; I237-F241 HydrophobicContact CG2-CZ 4.38Å; I237-F241 WeakPolarHBondContact O-CD2 3Å | |
| 242 | L | 28.7 | Very low | 31.6 | Very low | 62 Ų | 62 | 90 Ų | 90 | 33% | 0.325 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.2 | -5.1 | 179.4 | -93 | 150.1 | 0 | 0 | 0 | 110.3 | G205 L208 | G205-L242 VanDerWaalsContact C-CD2 3.42Å; G205-L242 VanDerWaalsContact CA-CG 3.41Å; G205-L242 WeakPolarHBondContact O-CD1 3.49Å; L208-L242 HydrophobicContact CB-CD1 3.4Å; L208-L242 VanDerWaalsContact CB-CD1 3.4Å; L208-L242 HydrophobicContact CD1-CD1 3.76Å; L208-L242 HydrophobicContact CG-CD1 4.16Å |
| 243 | L | 29.7 | Very low | 32.2 | Very low | 36 Ų | 36 | 94.6 Ų | 94.6 | 19% | 0.188 | 48% | 0.483 | C | S | . | . | S | Bend | trans | -121.7 | 0 | -174.2 | -71.7 | 167 | 0 | 0 | 0 | 109.6 | P239 K245 V246 | P239-L243 HydrophobicContact CB-CD1 3.3Å; P239-L243 HydrophobicContact CB-CG 4.35Å; P239-L243 WeakPolarHBondContact O-CB 3.46Å; P239-L243 WeakPolarHBondContact O-CD1 3.39Å; P239-L243 WeakPolarHBondContact O-CG 3.11Å; P239-L243 PolarHBondContact O-N 3.1Å; P239-L243 VanDerWaalsContact O-N 3.09Å; L243-K245 PolarHBondContact O-N 2.68Å; L243-V246 HydrophobicContact CD2-CB 3.97Å; L243-V246 HydrophobicContact CD2-CG1 4.49Å; L243-V246 HydrophobicContact CD2-CG2 4.22Å; L243-V246 PolarHBondContact O-N 3.28Å |
| 244 | S | 27 | Very low | 32.9 | Very low | 102 Ų | 102 | 91.6 Ų | 91.6 | 71% | 0.713 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 1.6 | 0 | 66.3 | 0 | 0 | 0 | 0 | 111.1 | |||
| 245 | K | 28.1 | Very low | 33.4 | Very low | 200 Ų | 200 | 85.8 Ų | 85.8 | 87% | 0.87 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.4 | 0 | 178.5 | -75.5 | -159.7 | 179.2 | -177.1 | 0 | 110 | L243 | L243-K245 PolarHBondContact O-N 2.68Š|
| 246 | V | 31.7 | Very low | 33.8 | Very low | 75 Ų | 75 | 88.1 Ų | 88.1 | 46% | 0.455 | 44% | 0.442 | S | S | . | . | S | Bend | 0 | 0 | 0 | -176.9 | 0 | 0 | 0 | 0 | 107.6 | L243 H248 | L243-V246 HydrophobicContact CD2-CB 3.97Å; L243-V246 HydrophobicContact CD2-CG1 4.49Å; L243-V246 HydrophobicContact CD2-CG2 4.22Å; L243-V246 PolarHBondContact O-N 3.28Å; V246-H248 PolarHBondContact O-N 3.41Å | |
| 247 | K | 34.9 | Very low | 34.8 | Very low | 203 Ų | 203 | 92 Ų | 92 | 88% | 0.883 | 46% | 0.457 | S | S | * | . | 0 | 119.5 | 0 | -89.8 | -174.1 | -175.4 | -178.2 | 0 | 111.4 | |||||
| 248 | H | 37.9 | Very low | 35.5 | Very low | 121 Ų | 121 | 89.6 Ų | 89.6 | 56% | 0.56 | 45% | 0.445 | S | S | * | . | trans | -43.2 | 0 | 172.7 | -71.9 | -58.4 | 0 | 0 | 0 | 111.2 | V246 N250 | V246-H248 PolarHBondContact O-N 3.41Å; H248-N250 PolarHBondContact O-N 3.35Å; H248-N250 PolarHBondContact O-OD1 2.72Å; H248-N250 VanDerWaalsContact O-OD1 3.08Å | ||
| 249 | P | 41.7 | Very low | 36 | Very low | 27 Ų | 27 | 88 Ų | 88 | 18% | 0.175 | 43% | 0.43 | C | S | . | . | 0 | 0 | 0 | 18.3 | -19.7 | 0 | 0 | 0 | 111.8 | L216 Q254 T255 M258 | L216-P249 HydrophobicContact CD2-CG 3.6Å; P249-Q254 HydrophobicContact CB-CB 3.62Å; P249-T255 WeakPolarHBondContact CB-OG1 2.71Å; P249-M258 HydrophobicContact CG-CE 3.87Å; P249-M258 HydrophobicContact CG-SD 3.76Å | |||
| 250 | N | 39.4 | Very low | 36.6 | Very low | 135 Ų | 135 | 93 Ų | 93 | 72% | 0.722 | 45% | 0.453 | S | S | * | . | 0 | -1.2 | 0 | -59.9 | -18 | 0 | 0 | 0 | 111.5 | H248 | H248-N250 PolarHBondContact O-N 3.35Å; H248-N250 PolarHBondContact O-OD1 2.72Å; H248-N250 VanDerWaalsContact O-OD1 3.08Å | |||
| 251 | T | 42.3 | Very low | 37.5 | Very low | 63 Ų | 63 | 95.4 Ų | 95.4 | 39% | 0.387 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -140.6 | 150.4 | 179.9 | 59.3 | 0 | 0 | 0 | 0 | 108.7 | K253 Q254 T255 | T251-K253 PolarHBondContact O-N 3.45Å; T251-Q254 WeakPolarHBondContact O-CB 3.43Å; T251-Q254 PolarHBondContact O-N 2.55Å; T251-Q254 VanDerWaalsContact O-N 3.13Å; T251-Q254 VanDerWaalsContact OG1-CB 3.28Å; T251-Q254 WeakPolarHBondContact OG1-CB 3.07Å; T251-Q254 VanDerWaalsContact OG1-CD 3.32Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.41Å; T251-Q254 PolarHBondContact OG1-N 3.25Å; T251-Q254 VanDerWaalsContact OG1-N 3.13Å; T251-T255 PolarHBondContact O-N 2.73Å; T251-T255 PolarHBondContact O-OG1 3.44Å; T251-T255 VanDerWaalsContact O-OG1 3.11Å |
| 252 | L | 37.5 | Very low | 38.3 | Very low | 61 Ų | 61 | 88.7 Ų | 88.7 | 32% | 0.319 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -51.3 | -40.3 | 172.6 | -158.7 | 108.7 | 0 | 0 | 0 | 111.1 | L220 Q254 T255 R256 | L220-L252 VanDerWaalsContact C-CD1 3.49Å; L220-L252 HydrophobicContact CB-CD1 3.74Å; L220-L252 VanDerWaalsContact O-CD1 3.23Å; L220-L252 WeakPolarHBondContact O-CD1 3.33Å; L252-Q254 VanDerWaalsContact C-N 3.29Å; L252-Q254 PolarHBondContact O-N 2.65Å; L252-T255 PolarHBondContact O-N 3.49Å; L252-R256 WeakPolarHBondContact O-CB 3.21Å; L252-R256 WeakPolarHBondContact O-CG 3.01Å; L252-R256 PolarHBondContact O-N 2.74Å |
| 253 | K | 43.4 | Very low | 38.6 | Very low | 149 Ų | 149 | 89.2 Ų | 89.2 | 65% | 0.648 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -60.5 | -42.4 | 175.7 | -172 | 178.3 | 176.8 | -178.7 | 0 | 111.2 | T251 E257 | T251-K253 PolarHBondContact O-N 3.45Å; K253-E257 WeakPolarHBondContact O-CB 2.89Å; K253-E257 WeakPolarHBondContact O-CG 3.04Å; K253-E257 PolarHBondContact O-N 2.8Å |
| 254 | Q | 45.1 | Very low | 39.2 | Very low | 79 Ų | 79 | 92 Ų | 92 | 37% | 0.369 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 179.2 | -75.2 | 178.2 | -8.3 | 0 | 0 | 110.6 | P249 T251 L252 E257 M258 | P249-Q254 HydrophobicContact CB-CB 3.62Å; T251-Q254 WeakPolarHBondContact O-CB 3.43Å; T251-Q254 PolarHBondContact O-N 2.55Å; T251-Q254 VanDerWaalsContact O-N 3.13Å; T251-Q254 VanDerWaalsContact OG1-CB 3.28Å; T251-Q254 WeakPolarHBondContact OG1-CB 3.07Å; T251-Q254 VanDerWaalsContact OG1-CD 3.32Å; T251-Q254 WeakPolarHBondContact OG1-CG 3.41Å; T251-Q254 PolarHBondContact OG1-N 3.25Å; T251-Q254 VanDerWaalsContact OG1-N 3.13Å; L252-Q254 VanDerWaalsContact C-N 3.29Å; L252-Q254 PolarHBondContact O-N 2.65Å; Q254-E257 PolarHBondContact O-N 3.28Å; Q254-M258 VanDerWaalsContact O-CB 3.3Å; Q254-M258 WeakPolarHBondContact O-CB 3.44Å; Q254-M258 PolarHBondContact O-N 3.22Å |
| 255 | T | 41 | Very low | 39.9 | Very low | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67 | -47.5 | 176 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | L216 N217 L220 P249 T251 L252 E257 M258 V259 | L216-T255 HydrophobicContact CD2-CG2 3.68Å; N217-T255 HydrophobicContact CB-CG2 4.04Å; L220-T255 HydrophobicContact CD1-CG2 3.41Å; L220-T255 VanDerWaalsContact CD1-CG2 3.41Å; L220-T255 WeakPolarHBondContact CD1-OG1 3.25Å; P249-T255 WeakPolarHBondContact CB-OG1 2.71Å; T251-T255 PolarHBondContact O-N 2.73Å; T251-T255 PolarHBondContact O-OG1 3.44Å; T251-T255 VanDerWaalsContact O-OG1 3.11Å; L252-T255 PolarHBondContact O-N 3.49Å; T255-E257 PolarHBondContact O-N 3.29Å; T255-M258 WeakPolarHBondContact O-CB 3.43Å; T255-M258 PolarHBondContact O-N 3.28Å; T255-M258 VanDerWaalsContact O-N 3.12Å; T255-V259 HydrophobicContact CG2-CG2 4.42Å; T255-V259 VanDerWaalsContact O-CG2 3.22Å; T255-V259 WeakPolarHBondContact O-CG2 2.69Å; T255-V259 PolarHBondContact O-N 2.71Å |
| 256 | R | 39.1 | Very low | 40.3 | Very low | 143 Ų | 143 | 84.9 Ų | 84.9 | 54% | 0.54 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -59.4 | -38.9 | 175.9 | -77.2 | -176.8 | 177.3 | 168.1 | 1.2 | 111.2 | L252 M258 E260 | L252-R256 WeakPolarHBondContact O-CB 3.21Å; L252-R256 WeakPolarHBondContact O-CG 3.01Å; L252-R256 PolarHBondContact O-N 2.74Å; R256-M258 VanDerWaalsContact C-N 3.26Å; R256-E260 VanDerWaalsContact O-CB 3.24Å; R256-E260 WeakPolarHBondContact O-CB 3.19Å; R256-E260 PolarHBondContact O-N 3.34Å |
| 257 | E | 46.5 | Very low | 40.5 | Very low | 103 Ų | 103 | 85.8 Ų | 85.8 | 48% | 0.481 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | 177 | -75.5 | 177 | 178 | 0 | 0 | 111.1 | K253 Q254 T255 Y261 | K253-E257 WeakPolarHBondContact O-CB 2.89Å; K253-E257 WeakPolarHBondContact O-CG 3.04Å; K253-E257 PolarHBondContact O-N 2.8Å; Q254-E257 PolarHBondContact O-N 3.28Å; T255-E257 PolarHBondContact O-N 3.29Å; E257-Y261 WeakPolarHBondContact O-CB 3.1Å; E257-Y261 PolarHBondContact O-N 3.36Å |
| 258 | M | 42.6 | Very low | 40.8 | Very low | 27 Ų | 27 | 84.2 Ų | 84.2 | 13% | 0.133 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -69.2 | -46.5 | 178.9 | -175.6 | 177.9 | 79.4 | 0 | 0 | 110.1 | A213 L216 P249 Q254 T255 R256 Y261 L262 | A213-M258 HydrophobicContact CB-CE 3.69Å; L216-M258 HydrophobicContact CD2-CE 4.02Å; P249-M258 HydrophobicContact CG-CE 3.87Å; P249-M258 HydrophobicContact CG-SD 3.76Å; Q254-M258 VanDerWaalsContact O-CB 3.3Å; Q254-M258 WeakPolarHBondContact O-CB 3.44Å; Q254-M258 PolarHBondContact O-N 3.22Å; T255-M258 WeakPolarHBondContact O-CB 3.43Å; T255-M258 PolarHBondContact O-N 3.28Å; T255-M258 VanDerWaalsContact O-N 3.12Å; R256-M258 VanDerWaalsContact C-N 3.26Å; M258-Y261 WeakPolarHBondContact O-CB 2.85Å; M258-Y261 PolarHBondContact O-N 3.17Å; M258-L262 HydrophobicContact CG-CD1 4.06Å; M258-L262 HydrophobicContact CG-CG 4.39Å; M258-L262 WeakPolarHBondContact O-CB 3.05Å; M258-L262 WeakPolarHBondContact O-CG 3.28Å; M258-L262 PolarHBondContact O-N 2.83Å |
| 259 | V | 39.5 | Very low | 40.6 | Very low | 16 Ų | 16 | 80.6 Ų | 80.6 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.7 | -50.2 | 175.7 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | A213 N217 T255 Y261 L262 I263 | A213-V259 HydrophobicContact CB-CG2 3.67Å; N217-V259 HydrophobicContact CB-CG2 4.16Å; T255-V259 HydrophobicContact CG2-CG2 4.42Å; T255-V259 VanDerWaalsContact O-CG2 3.22Å; T255-V259 WeakPolarHBondContact O-CG2 2.69Å; T255-V259 PolarHBondContact O-N 2.71Å; V259-Y261 PolarHBondContact O-N 3.25Å; V259-L262 PolarHBondContact O-N 2.78Å; V259-I263 HydrophobicContact CG1-CD1 3.55Å; V259-I263 HydrophobicContact CG1-CG1 4.11Å; V259-I263 VanDerWaalsContact O-CB 3.26Å; V259-I263 WeakPolarHBondContact O-CB 3.15Å; V259-I263 WeakPolarHBondContact O-CG1 2.24Å; V259-I263 PolarHBondContact O-N 3.19Å |
| 260 | E | 41.6 | Very low | 40.2 | Very low | 118 Ų | 118 | 84.9 Ų | 84.9 | 55% | 0.551 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -58.9 | -40.2 | 177.8 | -160.2 | 174.9 | 175.2 | 0 | 0 | 111.4 | R256 I263 N264 | R256-E260 VanDerWaalsContact O-CB 3.24Å; R256-E260 WeakPolarHBondContact O-CB 3.19Å; R256-E260 PolarHBondContact O-N 3.34Å; E260-I263 PolarHBondContact O-N 3.31Å; E260-N264 VanDerWaalsContact O-CB 3.24Å; E260-N264 WeakPolarHBondContact O-CB 3.42Å; E260-N264 PolarHBondContact O-N 3.49Å; E260-N264 PolarHBondContact O-ND2 2.69Å |
| 261 | Y | 44.1 | Very low | 39.8 | Very low | 128 Ų | 128 | 82.1 Ų | 82.1 | 50% | 0.502 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 177.1 | 177.1 | -101.8 | 0 | 0 | 0 | 110.4 | E257 M258 V259 I263 N264 R265 | E257-Y261 WeakPolarHBondContact O-CB 3.1Å; E257-Y261 PolarHBondContact O-N 3.36Å; M258-Y261 WeakPolarHBondContact O-CB 2.85Å; M258-Y261 PolarHBondContact O-N 3.17Å; V259-Y261 PolarHBondContact O-N 3.25Å; Y261-I263 VanDerWaalsContact C-N 3.3Å; Y261-I263 PolarHBondContact O-N 3.05Å; Y261-N264 PolarHBondContact O-N 2.72Å; Y261-R265 VanDerWaalsContact CE1-NH1 3.34Å; Y261-R265 WeakPolarHBondContact O-CA 3.31Å; Y261-R265 WeakPolarHBondContact O-CB 3.36Å; Y261-R265 PolarHBondContact O-N 2.9Å; Y261-R265 PolarHBondContact OH-NH1 3.22Å |
| 262 | L | 42.1 | Very low | 39.1 | Very low | 15 Ų | 15 | 84.7 Ų | 84.7 | 8% | 0.079 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -68.4 | -38.9 | -177.6 | -73.6 | 172.2 | 0 | 0 | 0 | 110.3 | A209 L210 A213 M258 V259 N264 R265 F266 | A209-L262 HydrophobicContact CB-CD1 4.11Å; A209-L262 HydrophobicContact CB-CD2 3.96Å; L210-L262 HydrophobicContact CD1-CB 4.05Å; A213-L262 HydrophobicContact CB-CD1 3.54Å; M258-L262 HydrophobicContact CG-CD1 4.06Å; M258-L262 HydrophobicContact CG-CG 4.39Å; M258-L262 WeakPolarHBondContact O-CB 3.05Å; M258-L262 WeakPolarHBondContact O-CG 3.28Å; M258-L262 PolarHBondContact O-N 2.83Å; V259-L262 PolarHBondContact O-N 2.78Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-R265 CarbonylContact O-C 3.57Å; L262-R265 PolarHBondContact O-N 2.69Å; L262-F266 WeakPolarHBondContact O-CA 3.32Å; L262-F266 WeakPolarHBondContact O-CB 3.35Å; L262-F266 PolarHBondContact O-N 3.46Å |
| 263 | I | 36.4 | Very low | 38.6 | Very low | 73 Ų | 73 | 84.6 Ų | 84.6 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.6 | -44.2 | 175.8 | -71.8 | 175.2 | 0 | 0 | 0 | 109.1 | L210 V259 E260 Y261 R265 F266 V267 | L210-I263 HydrophobicContact CD1-CD1 4.45Å; L210-I263 HydrophobicContact CD1-CG1 3.43Å; L210-I263 VanDerWaalsContact CD1-CG1 3.43Å; V259-I263 HydrophobicContact CG1-CD1 3.55Å; V259-I263 HydrophobicContact CG1-CG1 4.11Å; V259-I263 VanDerWaalsContact O-CB 3.26Å; V259-I263 WeakPolarHBondContact O-CB 3.15Å; V259-I263 WeakPolarHBondContact O-CG1 2.24Å; V259-I263 PolarHBondContact O-N 3.19Å; E260-I263 PolarHBondContact O-N 3.31Å; Y261-I263 VanDerWaalsContact C-N 3.3Å; Y261-I263 PolarHBondContact O-N 3.05Å; I263-R265 PolarHBondContact O-N 3.04Å; I263-F266 PolarHBondContact O-N 3.46Å; I263-V267 HydrophobicContact CG2-CG2 4.07Å; I263-V267 WeakPolarHBondContact O-CB 3.27Å; I263-V267 WeakPolarHBondContact O-CG2 3.27Å; I263-V267 PolarHBondContact O-N 3.43Å |
| 264 | N | 42.2 | Very low | 37.7 | Very low | 94 Ų | 94 | 87.3 Ų | 87.3 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.7 | -37.1 | 177.6 | -76.9 | -21.4 | 0 | 0 | 0 | 111.2 | E260 Y261 L262 V267 K268 | E260-N264 VanDerWaalsContact O-CB 3.24Å; E260-N264 WeakPolarHBondContact O-CB 3.42Å; E260-N264 PolarHBondContact O-N 3.49Å; E260-N264 PolarHBondContact O-ND2 2.69Å; Y261-N264 PolarHBondContact O-N 2.72Å; L262-N264 VanDerWaalsContact C-N 3.33Å; N264-V267 PolarHBondContact O-N 3.28Å; N264-K268 WeakPolarHBondContact O-CA 2.83Å; N264-K268 WeakPolarHBondContact O-CB 3.47Å; N264-K268 PolarHBondContact O-N 3.22Å |
| 265 | R | 39.9 | Very low | 36.8 | Very low | 101 Ų | 101 | 89.1 Ų | 89.1 | 38% | 0.381 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -71.8 | -42.1 | 179.3 | -157.3 | 165.7 | -179 | 161 | 2.1 | 110.2 | Y261 L262 I263 K268 L269 | Y261-R265 VanDerWaalsContact CE1-NH1 3.34Å; Y261-R265 WeakPolarHBondContact O-CA 3.31Å; Y261-R265 WeakPolarHBondContact O-CB 3.36Å; Y261-R265 PolarHBondContact O-N 2.9Å; Y261-R265 PolarHBondContact OH-NH1 3.22Å; L262-R265 CarbonylContact O-C 3.57Å; L262-R265 PolarHBondContact O-N 2.69Å; I263-R265 PolarHBondContact O-N 3.04Å; R265-K268 PolarHBondContact O-N 2.89Å; R265-L269 HydrophobicContact CB-CD1 4.41Å; R265-L269 HydrophobicContact CG-CD1 3.39Å; R265-L269 HydrophobicContact CG-CG 4.06Å; R265-L269 WeakPolarHBondContact O-CA 3.18Å; R265-L269 WeakPolarHBondContact O-CB 3.33Å; R265-L269 WeakPolarHBondContact O-CD1 3.19Å; R265-L269 WeakPolarHBondContact O-CG 2.98Å; R265-L269 PolarHBondContact O-N 2.85Å |
| 266 | F | 37.9 | Very low | 36.1 | Very low | 51 Ų | 51 | 95 Ų | 95 | 22% | 0.224 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57 | -45.7 | 173.8 | -178.8 | -100.5 | 0 | 0 | 0 | 110.4 | V206 L262 I263 K268 L269 W270 | V206-F266 HydrophobicContact CG1-CB 3.86Å; V206-F266 HydrophobicContact CG1-CD2 4.17Å; L262-F266 WeakPolarHBondContact O-CA 3.32Å; L262-F266 WeakPolarHBondContact O-CB 3.35Å; L262-F266 PolarHBondContact O-N 3.46Å; I263-F266 PolarHBondContact O-N 3.46Å; F266-K268 VanDerWaalsContact C-N 3.3Å; F266-L269 PolarHBondContact O-N 2.58Å; F266-W270 AromaticContact CD2-CE3 3.82Å; F266-W270 HydrophobicContact CD2-CE3 3.82Å; F266-W270 HydrophobicContact CD2-CZ3 4.29Å; F266-W270 HydrophobicContact CE1-CB 4.48Å; F266-W270 HydrophobicContact CE1-CD2 4.17Å; F266-W270 HydrophobicContact CE1-CE3 4.25Å; F266-W270 HydrophobicContact CE1-CG 4.29Å; F266-W270 AromaticContact CE2-CD2 3.83Å; F266-W270 HydrophobicContact CE2-CD2 3.83Å; F266-W270 AromaticContact CE2-CE3 3.1Å; F266-W270 HydrophobicContact CE2-CE3 3.1Å; F266-W270 HydrophobicContact CE2-CH2 4.15Å; F266-W270 AromaticContact CE2-CZ3 3.29Å; F266-W270 HydrophobicContact CE2-CZ3 3.29Å; F266-W270 AromaticContact CZ-CD2 3.59Å; F266-W270 HydrophobicContact CZ-CD2 3.59Å; F266-W270 AromaticContact CZ-CE3 3.37Å; F266-W270 HydrophobicContact CZ-CE3 3.37Å; F266-W270 HydrophobicContact CZ-CG 4.18Å; F266-W270 HydrophobicContact CZ-CH2 4.14Å; F266-W270 HydrophobicContact CZ-CZ2 4.35Å; F266-W270 AromaticContact CZ-CZ3 3.67Å; F266-W270 HydrophobicContact CZ-CZ3 3.67Å; F266-W270 WeakPolarHBondContact O-CA 3.23Å; F266-W270 WeakPolarHBondContact O-CB 2.91Å; F266-W270 PolarHBondContact O-N 3.38Å |
| 267 | V | 35.4 | Very low | 35.4 | Very low | 95 Ų | 95 | 94.1 Ų | 94.1 | 58% | 0.576 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.7 | -35.3 | -178.5 | 173.1 | 0 | 0 | 0 | 0 | 109.5 | I263 N264 | I263-V267 HydrophobicContact CG2-CG2 4.07Å; I263-V267 WeakPolarHBondContact O-CB 3.27Å; I263-V267 WeakPolarHBondContact O-CG2 3.27Å; I263-V267 PolarHBondContact O-N 3.43Å; N264-V267 PolarHBondContact O-N 3.28Å |
| 268 | K | 40.6 | Very low | 34.5 | Very low | 169 Ų | 169 | 94.4 Ų | 94.4 | 74% | 0.735 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -73.9 | -33 | 179.9 | -168.3 | 176.4 | 174.9 | 178.7 | 0 | 110.4 | N264 R265 F266 S271 | N264-K268 WeakPolarHBondContact O-CA 2.83Å; N264-K268 WeakPolarHBondContact O-CB 3.47Å; N264-K268 PolarHBondContact O-N 3.22Å; R265-K268 PolarHBondContact O-N 2.89Å; F266-K268 VanDerWaalsContact C-N 3.3Å; K268-S271 PolarHBondContact O-OG 3.01Å |
| 269 | L | 34 | Very low | 33.7 | Very low | 46 Ų | 46 | 101.4 Ų | 101.4 | 24% | 0.241 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -94.2 | -22.7 | -172 | -74.6 | 168.9 | 0 | 0 | 0 | 109.9 | K203 V206 R265 F266 S271 | K203-L269 WeakPolarHBondContact CE-O 3.38Å; V206-L269 HydrophobicContact CG2-CD1 3.75Å; R265-L269 HydrophobicContact CB-CD1 4.41Å; R265-L269 HydrophobicContact CG-CD1 3.39Å; R265-L269 HydrophobicContact CG-CG 4.06Å; R265-L269 WeakPolarHBondContact O-CA 3.18Å; R265-L269 WeakPolarHBondContact O-CB 3.33Å; R265-L269 WeakPolarHBondContact O-CD1 3.19Å; R265-L269 WeakPolarHBondContact O-CG 2.98Å; R265-L269 PolarHBondContact O-N 2.85Å; F266-L269 PolarHBondContact O-N 2.58Å; L269-S271 PolarHBondContact O-N 2.96Å; L269-S271 VanDerWaalsContact O-N 3.11Å |
| 270 | W | 34 | Very low | 33 | Very low | 116 Ų | 116 | 108.9 Ų | 108.9 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | trans | -82.4 | 8.9 | -177.3 | -160.5 | -92.1 | 0 | 0 | 0 | 110.1 | F266 L272 | F266-W270 AromaticContact CD2-CE3 3.82Å; F266-W270 HydrophobicContact CD2-CE3 3.82Å; F266-W270 HydrophobicContact CD2-CZ3 4.29Å; F266-W270 HydrophobicContact CE1-CB 4.48Å; F266-W270 HydrophobicContact CE1-CD2 4.17Å; F266-W270 HydrophobicContact CE1-CE3 4.25Å; F266-W270 HydrophobicContact CE1-CG 4.29Å; F266-W270 AromaticContact CE2-CD2 3.83Å; F266-W270 HydrophobicContact CE2-CD2 3.83Å; F266-W270 AromaticContact CE2-CE3 3.1Å; F266-W270 HydrophobicContact CE2-CE3 3.1Å; F266-W270 HydrophobicContact CE2-CH2 4.15Å; F266-W270 AromaticContact CE2-CZ3 3.29Å; F266-W270 HydrophobicContact CE2-CZ3 3.29Å; F266-W270 AromaticContact CZ-CD2 3.59Å; F266-W270 HydrophobicContact CZ-CD2 3.59Å; F266-W270 AromaticContact CZ-CE3 3.37Å; F266-W270 HydrophobicContact CZ-CE3 3.37Å; F266-W270 HydrophobicContact CZ-CG 4.18Å; F266-W270 HydrophobicContact CZ-CH2 4.14Å; F266-W270 HydrophobicContact CZ-CZ2 4.35Å; F266-W270 AromaticContact CZ-CZ3 3.67Å; F266-W270 HydrophobicContact CZ-CZ3 3.67Å; F266-W270 WeakPolarHBondContact O-CA 3.23Å; F266-W270 WeakPolarHBondContact O-CB 2.91Å; F266-W270 PolarHBondContact O-N 3.38Å; W270-L272 PolarHBondContact O-N 3.41Å | ||
| 271 | S | 30.9 | Very low | 32.2 | Very low | 78 Ų | 78 | 106.1 Ų | 106.1 | 55% | 0.545 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -82.1 | 0 | 165.4 | 20 | 0 | 0 | 0 | 0 | 110.9 | K268 L269 P273 | K268-S271 PolarHBondContact O-OG 3.01Å; L269-S271 PolarHBondContact O-N 2.96Å; L269-S271 VanDerWaalsContact O-N 3.11Å; S271-P273 VanDerWaalsContact O-N 3.15Å |
| 272 | L | 27.5 | Very low | 31.1 | Very low | 117 Ų | 117 | 105.4 Ų | 105.4 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | 0 | 0 | 0 | -75 | 160.8 | 0 | 0 | 0 | 110.9 | W270 K274 | W270-L272 PolarHBondContact O-N 3.41Å; L272-K274 PolarHBondContact O-N 3.04Å | |||
| 273 | P | 26.3 | Very low | 30.3 | Very low | 59 Ų | 59 | 113.5 Ų | 113.5 | 38% | 0.383 | 61% | 0.609 | S | S | . | * | 0 | 0 | 0 | 4.6 | -1.5 | 0 | 0 | 0 | 111.6 | I199 S271 F275 | I199-P273 HydrophobicContact CD1-CG 4.47Å; S271-P273 VanDerWaalsContact O-N 3.15Å; P273-F275 PolarHBondContact O-N 2.99Å | |||
| 274 | K | 25.6 | Very low | 29.6 | Very low | 205 Ų | 205 | 114 Ų | 114 | 89% | 0.891 | 62% | 0.623 | S | S | * | * | 0 | 100.6 | 0 | -73.1 | -174.1 | -177.6 | 179.8 | 0 | 110.3 | L272 P276 | L272-K274 PolarHBondContact O-N 3.04Å; K274-P276 WeakPolarHBondContact O-CD 3.39Å | |||
| 275 | F | 26.5 | Very low | 28.8 | Very low | 118 Ų | 118 | 114.8 Ų | 114.8 | 52% | 0.518 | 64% | 0.636 | S | S | . | * | trans | -61 | 0 | 176.9 | -76.8 | -82.2 | 0 | 0 | 0 | 110.3 | F172 P273 C277 | F172-F275 HydrophobicContact CD1-CZ 4.38Å; F172-F275 HydrophobicContact CD2-CD1 4.49Å; F172-F275 AromaticContact CD2-CE1 3.63Å; F172-F275 HydrophobicContact CD2-CE1 3.63Å; F172-F275 HydrophobicContact CD2-CE2 4.09Å; F172-F275 AromaticContact CD2-CZ 3.37Å; F172-F275 HydrophobicContact CD2-CZ 3.37Å; F172-F275 AromaticContact CE1-CE1 3.78Å; F172-F275 HydrophobicContact CE1-CE1 3.78Å; F172-F275 HydrophobicContact CE1-CZ 4.08Å; F172-F275 AromaticContact CE2-CD1 3.42Å; F172-F275 HydrophobicContact CE2-CD1 3.42Å; F172-F275 VanDerWaalsContact CE2-CD1 3.42Å; F172-F275 HydrophobicContact CE2-CD2 4.45Å; F172-F275 AromaticContact CE2-CE1 2.68Å; F172-F275 HydrophobicContact CE2-CE1 2.68Å; F172-F275 AromaticContact CE2-CE2 3.9Å; F172-F275 HydrophobicContact CE2-CE2 3.9Å; F172-F275 HydrophobicContact CE2-CG 4.25Å; F172-F275 AromaticContact CE2-CZ 2.98Å; F172-F275 HydrophobicContact CE2-CZ 2.98Å; F172-F275 HydrophobicContact CG-CE1 4.44Å; F172-F275 HydrophobicContact CG-CZ 4.07Å; F172-F275 AromaticContact CZ-CD1 3.7Å; F172-F275 HydrophobicContact CZ-CD1 3.7Å; F172-F275 AromaticContact CZ-CE1 2.78Å; F172-F275 HydrophobicContact CZ-CE1 2.78Å; F172-F275 AromaticContact CZ-CZ 3.39Å; F172-F275 HydrophobicContact CZ-CZ 3.39Å; P273-F275 PolarHBondContact O-N 2.99Å; F275-C277 PolarHBondContact O-N 2.97Å | ||
| 276 | P | 26.6 | Very low | 28.1 | Very low | 123 Ų | 123 | 119.1 Ų | 119.1 | 80% | 0.799 | 66% | 0.661 | S | S | * | * | 0 | 91.3 | 0 | 9.8 | -6.2 | 0 | 0 | 0 | 111.7 | K274 S278 | K274-P276 WeakPolarHBondContact O-CD 3.39Å; P276-S278 PolarHBondContact O-N 3.05Å | |||
| 277 | C | 24.4 | Very low | 27.4 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 84% | 0.838 | 69% | 0.686 | S | S | * | * | trans | -56.1 | 84.1 | 164.9 | -108.7 | 0 | 0 | 0 | 0 | 110.1 | F275 Q279 | F275-C277 PolarHBondContact O-N 2.97Å; C277-Q279 VanDerWaalsContact C-N 3.26Å; C277-Q279 PolarHBondContact O-N 3.24Å | ||
| 278 | S | 26 | Very low | 26.8 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 69% | 0.694 | S | S | * | * | trans | -45.7 | 88.7 | 159.2 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | P276 | P276-S278 PolarHBondContact O-N 3.05Š| ||
| 279 | Q | 26.6 | Very low | 26.1 | Very low | 174 Ų | 174 | 122.6 Ų | 122.6 | 81% | 0.813 | 70% | 0.697 | S | S | * | * | S | Bend | 104.9 | 78.2 | 129.2 | -76.1 | -169.3 | -3.2 | 0 | 0 | 110 | C277 G281 | C277-Q279 VanDerWaalsContact C-N 3.26Å; C277-Q279 PolarHBondContact O-N 3.24Å; Q279-G281 PolarHBondContact O-N 3.44Å | |
| 280 | N | 24.6 | Very low | 25.8 | Very low | 173 Ų | 173 | 124.3 Ų | 124.3 | 93% | 0.925 | 71% | 0.707 | S | S | * | * | trans | 66.3 | 64.3 | 136 | -76.8 | -12.8 | 0 | 0 | 0 | 111.3 | ||||
| 281 | G | 24.5 | Very low | 25.5 | Very low | 59 Ų | 59 | 124.3 Ų | 124.3 | 61% | 0.608 | 72% | 0.715 | S | S | * | * | trans | -163.1 | 81.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q279 F283 | Q279-G281 PolarHBondContact O-N 3.44Å; G281-F283 PolarHBondContact O-N 3.23Å | ||
| 282 | S | 21.7 | Very low | 25.4 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | 20.4 | 80.1 | 139.8 | 166 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 283 | F | 24.5 | Very low | 25.5 | Very low | 186 Ų | 186 | 127 Ų | 127 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -119.7 | 82.6 | 154.7 | -89.2 | -82.6 | 0 | 0 | 0 | 109.4 | G281 S285 | G281-F283 PolarHBondContact O-N 3.23Å; F283-S285 VanDerWaalsContact C-N 3.33Å | ||
| 284 | A | 23 | Very low | 25.7 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 69% | 0.686 | 74% | 0.736 | S | S | * | * | trans | -42.4 | 0 | 131.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 285 | S | 24.5 | Very low | 25.9 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | 0 | 0 | 0 | 63 | 0 | 0 | 0 | 0 | 109.7 | F283 | F283-S285 VanDerWaalsContact C-N 3.33Š| |||
| 286 | E | 26.1 | Very low | 25.9 | Very low | 193 Ų | 193 | 124.6 Ų | 124.6 | 90% | 0.902 | 73% | 0.728 | S | S | * | * | 0 | 83.4 | 0 | -91.4 | -171.4 | 176.3 | 0 | 0 | 109.9 | |||||
| 287 | G | 22.1 | Very low | 26 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 72% | 0.717 | S | S | * | * | -88.9 | 0 | 126.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 288 | E | 23.4 | Very low | 26.1 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | 0 | 0 | 0 | -95.5 | -180 | -179.4 | 0 | 0 | 109.5 | |||||
| 289 | L | 26.2 | Very low | 26.3 | Very low | 154 Ų | 154 | 117.3 Ų | 117.3 | 81% | 0.806 | 68% | 0.678 | S | S | * | * | 0 | 0 | 0 | -85.9 | 154.6 | 0 | 0 | 0 | 109.4 | D328 | L289-D328 VanDerWaalsContact C-OD2 3.3Å; L289-D328 PolarHBondContact N-OD2 2.81Å; L289-D328 VanDerWaalsContact O-CB 3.25Å; L289-D328 WeakPolarHBondContact O-CB 3.41Å | |||
| 290 | N | 25.9 | Very low | 26.4 | Very low | 82 Ų | 82 | 114.9 Ų | 114.9 | 44% | 0.439 | 67% | 0.67 | S | S | . | * | 0 | 0 | 0 | -119.9 | -4.6 | 0 | 0 | 0 | 112.1 | K324 D328 | N290-K324 WeakPolarHBondContact ND2-CE 3.06Å; N290-D328 VanDerWaalsContact CA-OD1 3.3Å; N290-D328 WeakPolarHBondContact CA-OD1 3.15Å; N290-D328 PolarHBondContact N-OD1 2.89Å | |||
| 291 | I | 29.2 | Very low | 26.7 | Very low | 117 Ų | 117 | 109.5 Ų | 109.5 | 60% | 0.6 | 64% | 0.639 | S | S | * | * | 0 | 0 | 0 | -60.9 | 171.6 | 0 | 0 | 0 | 108.2 | H331 | I291-H331 VanDerWaalsContact C-CD2 3.4Å; I291-H331 VanDerWaalsContact C-CE1 3.49Å; I291-H331 PolarHBondContact N-CD2 3.11Å; I291-H331 PolarHBondContact O-CD2 2.83Å; I291-H331 PolarHBondContact O-CE1 2.84Å; I291-H331 PolarHBondContact O-ND1 3.12Å; I291-H331 CovalentContact O-NE2 1.56Å; I291-H331 PolarHBondContact O-NE2 3.44Å | |||
| 292 | Q | 28.4 | Very low | 27 | Very low | 147 Ų | 147 | 113.8 Ų | 113.8 | 69% | 0.687 | 64% | 0.641 | S | S | * | * | 0 | 0 | 0 | -79.5 | -173.6 | -3.9 | 0 | 0 | 110.9 | H331 | Q292-H331 PolarHBondContact N-NE2 3.29Š| |||
| 293 | S | 29.7 | Very low | 27.3 | Very low | 105 Ų | 105 | 118.3 Ų | 118.3 | 73% | 0.734 | 64% | 0.64 | S | S | * | * | 0 | 0 | 0 | 70.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 294 | T | 30.2 | Very low | 27.6 | Very low | 93 Ų | 93 | 115.1 Ų | 115.1 | 57% | 0.571 | 63% | 0.631 | S | S | * | * | 0 | 0 | 0 | 35.6 | 0 | 0 | 0 | 0 | 109.6 | D298 | T294-D298 WeakPolarHBondContact CA-OD2 3.5Å; T294-D298 WeakPolarHBondContact CG2-OD2 2.87Å | |||
| 295 | D | 28.8 | Very low | 27.8 | Very low | 97 Ų | 97 | 112 Ų | 112 | 52% | 0.519 | 61% | 0.605 | S | S | . | * | S | Bend | 0 | 0 | 0 | -86.9 | -18 | 0 | 0 | 0 | 109.2 | D298 | D295-D298 VanDerWaalsContact CA-CB 3.48Å; D295-D298 WeakPolarHBondContact CA-OD2 3.2Å; D295-D298 PolarHBondContact N-OD2 3.08Å; D295-D298 VanDerWaalsContact N-OD2 3.15Å | |
| 296 | I | 27.3 | Very low | 27.9 | Very low | 141 Ų | 141 | 112.6 Ų | 112.6 | 72% | 0.723 | 60% | 0.598 | S | S | * | * | S | Bend | 0 | -16.2 | 0 | -67.1 | 176 | 0 | 0 | 0 | 107.8 | D298 | I296-D298 PolarHBondContact O-N 3Å; I296-D298 VanDerWaalsContact O-N 3.14Å | |
| 297 | P | 29.4 | Very low | 28 | Very low | 89 Ų | 89 | 107.4 Ų | 107.4 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.2 | -8.1 | 141.9 | -7.5 | 14 | 0 | 0 | 0 | 111.8 | F301 R330 | P297-F301 VanDerWaalsContact C-CB 3.46Å; P297-F301 VanDerWaalsContact O-CA 3.22Å; P297-F301 WeakPolarHBondContact O-CA 3.1Å; P297-F301 WeakPolarHBondContact O-CB 3.18Å; P297-F301 WeakPolarHBondContact O-CG 3.39Å; P297-F301 PolarHBondContact O-N 3.38Å; P297-R330 PolarHBondContact O-NH2 3.36Å |
| 298 | D | 26.8 | Very low | 28.3 | Very low | 54 Ų | 54 | 107.2 Ų | 107.2 | 29% | 0.289 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -97.3 | -26.1 | -176.7 | -93.3 | -13 | 0 | 0 | 0 | 109.7 | T294 D295 I296 K302 | T294-D298 WeakPolarHBondContact CA-OD2 3.5Å; T294-D298 WeakPolarHBondContact CG2-OD2 2.87Å; D295-D298 VanDerWaalsContact CA-CB 3.48Å; D295-D298 WeakPolarHBondContact CA-OD2 3.2Å; D295-D298 PolarHBondContact N-OD2 3.08Å; D295-D298 VanDerWaalsContact N-OD2 3.15Å; I296-D298 PolarHBondContact O-N 3Å; I296-D298 VanDerWaalsContact O-N 3.14Å; D298-K302 WeakPolarHBondContact O-CB 3.25Å; D298-K302 PolarHBondContact O-N 2.7Å; D298-K302 VanDerWaalsContact O-N 3.13Å |
| 299 | A | 28.5 | Very low | 28.4 | Very low | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -93 | -24.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | K302 R303 | A299-K302 WeakPolarHBondContact O-CB 3.27Å; A299-R303 PolarHBondContact O-N 3.36Å |
| 300 | L | 28.9 | Very low | 28.5 | Very low | 123 Ų | 123 | 99.8 Ų | 99.8 | 64% | 0.644 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -104.2 | -22.6 | -178.6 | -129.7 | 122.8 | 0 | 0 | 0 | 110.3 | L304 | L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CD1 3.25Å; L300-L304 PolarHBondContact O-N 3.19Å |
| 301 | F | 31.7 | Very low | 28.7 | Very low | 61 Ų | 61 | 98.1 Ų | 98.1 | 27% | 0.268 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.6 | -35.8 | 143.2 | -142 | -91.5 | 0 | 0 | 0 | 111.2 | P297 S305 R330 | P297-F301 VanDerWaalsContact C-CB 3.46Å; P297-F301 VanDerWaalsContact O-CA 3.22Å; P297-F301 WeakPolarHBondContact O-CA 3.1Å; P297-F301 WeakPolarHBondContact O-CB 3.18Å; P297-F301 WeakPolarHBondContact O-CG 3.39Å; P297-F301 PolarHBondContact O-N 3.38Å; F301-S305 WeakPolarHBondContact CA-OG 3.17Å; F301-S305 WeakPolarHBondContact CD1-OG 3.48Å; F301-S305 WeakPolarHBondContact O-CA 3.28Å; F301-S305 WeakPolarHBondContact O-CB 3.1Å; F301-S305 PolarHBondContact O-N 2.98Å; F301-S305 CovalentContact O-OG 1.51Å; F301-S305 PolarHBondContact O-OG 3.29Å; F301-R330 CovalentContact CD1-CZ 1.32Å; F301-R330 CovalentContact CD1-NH1 1.5Å; F301-R330 VanDerWaalsContact CD2-CD 3.43Å; F301-R330 HydrophobicContact CD2-CG 3.87Å; F301-R330 HydrophobicContact CE1-CG 3.65Å; F301-R330 CovalentContact CE1-NH1 1.18Å; F301-R330 HydrophobicContact CE2-CB 4.08Å; F301-R330 HydrophobicContact CE2-CG 2.6Å; F301-R330 CovalentContact CE2-NE 1.82Å; F301-R330 CovalentContact CG-NH2 1.55Å; F301-R330 HydrophobicContact CZ-CB 3.63Å; F301-R330 CovalentContact CZ-CD 1.48Å; F301-R330 HydrophobicContact CZ-CG 2.45Å; F301-R330 CovalentContact CZ-NE 1.57Å |
| 302 | K | 29.7 | Very low | 28.6 | Very low | 149 Ų | 149 | 95.5 Ų | 95.5 | 65% | 0.648 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.5 | -27.3 | 172.9 | -140.5 | 176.2 | -179.3 | -179 | 0 | 110.5 | D298 A299 I306 | D298-K302 WeakPolarHBondContact O-CB 3.25Å; D298-K302 PolarHBondContact O-N 2.7Å; D298-K302 VanDerWaalsContact O-N 3.13Å; A299-K302 WeakPolarHBondContact O-CB 3.27Å; K302-I306 WeakPolarHBondContact O-CB 3.46Å; K302-I306 WeakPolarHBondContact O-CD1 3.06Å; K302-I306 WeakPolarHBondContact O-CG1 3.32Å; K302-I306 PolarHBondContact O-N 2.45Å; K302-I306 VanDerWaalsContact O-N 3.12Å |
| 303 | R | 28.6 | Very low | 28.6 | Very low | 207 Ų | 207 | 93 Ų | 93 | 78% | 0.781 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -99.6 | -20.7 | -178.6 | -95.8 | -178.3 | 179.2 | 175.1 | 0.6 | 110.5 | A299 | A299-R303 PolarHBondContact O-N 3.36Å |
| 304 | L | 31.4 | Very low | 28.5 | Very low | 119 Ų | 119 | 93.8 Ų | 93.8 | 62% | 0.623 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -95.7 | -10.7 | 171.8 | -83.5 | 161.9 | 0 | 0 | 0 | 110.6 | L300 S308 | L300-L304 WeakPolarHBondContact O-CB 3.48Å; L300-L304 WeakPolarHBondContact O-CD1 3.25Å; L300-L304 PolarHBondContact O-N 3.19Å; L304-S308 WeakPolarHBondContact O-CB 3.45Å; L304-S308 PolarHBondContact O-N 0.8Å; L304-S308 PolarHBondContact O-OG 2.1Å |
| 305 | S | 26.3 | Very low | 28.4 | Very low | 19 Ų | 19 | 93.1 Ų | 93.1 | 13% | 0.133 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -94.1 | -23.5 | 170.5 | -53.9 | 0 | 0 | 0 | 0 | 110 | F301 F307 S308 L309 | F301-S305 WeakPolarHBondContact CA-OG 3.17Å; F301-S305 WeakPolarHBondContact CD1-OG 3.48Å; F301-S305 WeakPolarHBondContact O-CA 3.28Å; F301-S305 WeakPolarHBondContact O-CB 3.1Å; F301-S305 PolarHBondContact O-N 2.98Å; F301-S305 CovalentContact O-OG 1.51Å; F301-S305 PolarHBondContact O-OG 3.29Å; S305-F307 PolarHBondContact O-N 3.29Å; S305-S308 VanDerWaalsContact C-OG 3.25Å; S305-S308 WeakPolarHBondContact CA-OG 3.37Å; S305-S308 PolarHBondContact N-OG 3.09Å; S305-S308 VanDerWaalsContact N-OG 3.17Å; S305-S308 PolarHBondContact O-OG 3.49Å; S305-L309 WeakPolarHBondContact O-CB 3.08Å; S305-L309 WeakPolarHBondContact O-CD1 3.13Å; S305-L309 WeakPolarHBondContact O-CG 2.83Å; S305-L309 PolarHBondContact O-N 2.67Å |
| 306 | I | 27.9 | Very low | 28.5 | Very low | 121 Ų | 121 | 95.7 Ų | 95.7 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -79.8 | -12.3 | 169.3 | -68.7 | 174.1 | 0 | 0 | 0 | 109.1 | K302 | K302-I306 WeakPolarHBondContact O-CB 3.46Å; K302-I306 WeakPolarHBondContact O-CD1 3.06Å; K302-I306 WeakPolarHBondContact O-CG1 3.32Å; K302-I306 PolarHBondContact O-N 2.45Å; K302-I306 VanDerWaalsContact O-N 3.12Å |
| 307 | F | 28.7 | Very low | 28.6 | Very low | 85 Ų | 85 | 97.1 Ų | 97.1 | 37% | 0.373 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -118.1 | -12.4 | -173.5 | -162.9 | -96.3 | 0 | 0 | 0 | 110.4 | L142 L148 S305 | L142-F307 HydrophobicContact CD1-CD1 4.49Å; L142-F307 HydrophobicContact CD1-CE1 3.61Å; L142-F307 HydrophobicContact CD1-CZ 4.32Å; L148-F307 HydrophobicContact CB-CZ 4.13Å; L148-F307 HydrophobicContact CD1-CD1 3.23Å; L148-F307 HydrophobicContact CD1-CD2 4.07Å; L148-F307 HydrophobicContact CD1-CE1 2.44Å; L148-F307 HydrophobicContact CD1-CE2 3.47Å; L148-F307 VanDerWaalsContact CD1-CE2 3.47Å; L148-F307 HydrophobicContact CD1-CG 3.97Å; L148-F307 HydrophobicContact CD1-CZ 2.6Å; L148-F307 HydrophobicContact CD2-CE1 3.45Å; L148-F307 VanDerWaalsContact CD2-CE1 3.45Å; L148-F307 HydrophobicContact CD2-CE2 4.25Å; L148-F307 HydrophobicContact CD2-CZ 3.08Å; L148-F307 HydrophobicContact CG-CD1 4.28Å; L148-F307 HydrophobicContact CG-CE1 3.17Å; L148-F307 HydrophobicContact CG-CE2 3.5Å; L148-F307 VanDerWaalsContact CG-CE2 3.5Å; L148-F307 HydrophobicContact CG-CZ 2.65Å; S305-F307 PolarHBondContact O-N 3.29Å |
| 308 | S | 27.8 | Very low | 28.7 | Very low | 67 Ų | 67 | 97.8 Ų | 97.8 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -98.8 | -12.6 | 169.8 | 38.1 | 0 | 0 | 0 | 0 | 110.6 | L304 S305 P311 | L304-S308 WeakPolarHBondContact O-CB 3.45Å; L304-S308 PolarHBondContact O-N 0.8Å; L304-S308 PolarHBondContact O-OG 2.1Å; S305-S308 VanDerWaalsContact C-OG 3.25Å; S305-S308 WeakPolarHBondContact CA-OG 3.37Å; S305-S308 PolarHBondContact N-OG 3.09Å; S305-S308 VanDerWaalsContact N-OG 3.17Å; S305-S308 PolarHBondContact O-OG 3.49Å; S308-P311 WeakPolarHBondContact O-CD 3.23Å |
| 309 | L | 24.9 | Very low | 28.9 | Very low | 84 Ų | 84 | 97.9 Ų | 97.9 | 44% | 0.44 | 51% | 0.506 | S | S | . | . | S | Bend | trans | -107.4 | 24.9 | -166.6 | -84.6 | 159.4 | 0 | 0 | 0 | 109.3 | S305 | S305-L309 WeakPolarHBondContact O-CB 3.08Å; S305-L309 WeakPolarHBondContact O-CD1 3.13Å; S305-L309 WeakPolarHBondContact O-CG 2.83Å; S305-L309 PolarHBondContact O-N 2.67Å |
| 310 | N | 29 | Very low | 28.9 | Very low | 76 Ų | 76 | 99 Ų | 99 | 41% | 0.406 | 51% | 0.51 | S | S | . | . | trans | -176.8 | 0 | 143.5 | -163.9 | -3.8 | 0 | 0 | 0 | 109.6 | F312 S313 F314 | N310-F312 PolarHBondContact O-N 3.03Å; N310-F312 WeakPolarHBondContact OD1-CA 2.95Å; N310-F312 PolarHBondContact OD1-N 3.46Å; N310-S313 WeakPolarHBondContact ND2-CA 3.37Å; N310-S313 VanDerWaalsContact ND2-CB 3.29Å; N310-S313 WeakPolarHBondContact ND2-CB 2.94Å; N310-S313 PolarHBondContact ND2-N 2.81Å; N310-S313 PolarHBondContact ND2-OG 3.4Å; N310-S313 WeakPolarHBondContact OD1-CA 2.31Å; N310-S313 CovalentContact OD1-N 1.59Å; N310-S313 PolarHBondContact OD1-N 3.45Å; N310-F314 PolarHBondContact OD1-N 2.85Å; N310-F314 VanDerWaalsContact OD1-N 3.14Å | ||
| 311 | P | 29.6 | Very low | 29 | Very low | 47 Ų | 47 | 96.9 Ų | 96.9 | 31% | 0.305 | 50% | 0.504 | S | S | . | . | S | Bend | 0 | 0 | 0 | 10.2 | -7.9 | 0 | 0 | 0 | 111.7 | S308 | S308-P311 WeakPolarHBondContact O-CD 3.23Š| |
| 312 | F | 27.4 | Very low | 29 | Very low | 62 Ų | 62 | 100.4 Ų | 100.4 | 27% | 0.272 | 52% | 0.519 | S | S | . | . | S | Bend | 0 | 0 | 0 | -62.9 | -70.6 | 0 | 0 | 0 | 109.2 | L151 S156 N310 F314 | L151-F312 HydrophobicContact CB-CE1 4.01Å; L151-F312 HydrophobicContact CB-CZ 4.2Å; S156-F312 WeakPolarHBondContact OG-CE1 3.37Å; S156-F312 WeakPolarHBondContact OG-CZ 3.47Å; N310-F312 PolarHBondContact O-N 3.03Å; N310-F312 WeakPolarHBondContact OD1-CA 2.95Å; N310-F312 PolarHBondContact OD1-N 3.46Å; F312-F314 VanDerWaalsContact C-N 3.33Å; F312-F314 HydrophobicContact CB-CD2 3.27Å; F312-F314 HydrophobicContact CB-CE2 3.03Å; F312-F314 HydrophobicContact CB-CG 4.43Å; F312-F314 HydrophobicContact CB-CZ 4.08Å; F312-F314 HydrophobicContact CD2-CE2 4.48Å; F312-F314 HydrophobicContact CG-CD2 4.37Å; F312-F314 AromaticContact CG-CE2 3.87Å; F312-F314 HydrophobicContact CG-CE2 3.87Å; F312-F314 PolarHBondContact O-N 3.15Å | |
| 313 | S | 27.5 | Very low | 29.1 | Very low | 95 Ų | 95 | 96.6 Ų | 96.6 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | 0 | 42.1 | 0 | -47.3 | 0 | 0 | 0 | 0 | 111.3 | N310 | N310-S313 WeakPolarHBondContact ND2-CA 3.37Å; N310-S313 VanDerWaalsContact ND2-CB 3.29Å; N310-S313 WeakPolarHBondContact ND2-CB 2.94Å; N310-S313 PolarHBondContact ND2-N 2.81Å; N310-S313 PolarHBondContact ND2-OG 3.4Å; N310-S313 WeakPolarHBondContact OD1-CA 2.31Å; N310-S313 CovalentContact OD1-N 1.59Å; N310-S313 PolarHBondContact OD1-N 3.45Å | |||
| 314 | F | 28.2 | Very low | 29.5 | Very low | 120 Ų | 120 | 91.1 Ų | 91.1 | 53% | 0.526 | 49% | 0.486 | S | S | . | . | trans | -90.1 | 0 | 176.4 | -73.8 | -68.1 | 0 | 0 | 0 | 109.6 | N310 F312 M316 | N310-F314 PolarHBondContact OD1-N 2.85Å; N310-F314 VanDerWaalsContact OD1-N 3.14Å; F312-F314 VanDerWaalsContact C-N 3.33Å; F312-F314 HydrophobicContact CB-CD2 3.27Å; F312-F314 HydrophobicContact CB-CE2 3.03Å; F312-F314 HydrophobicContact CB-CG 4.43Å; F312-F314 HydrophobicContact CB-CZ 4.08Å; F312-F314 HydrophobicContact CD2-CE2 4.48Å; F312-F314 HydrophobicContact CG-CD2 4.37Å; F312-F314 AromaticContact CG-CE2 3.87Å; F312-F314 HydrophobicContact CG-CE2 3.87Å; F312-F314 PolarHBondContact O-N 3.15Å; F314-M316 PolarHBondContact O-N 3.31Å | ||
| 315 | P | 28.4 | Very low | 29.6 | Very low | 80 Ų | 80 | 90.7 Ų | 90.7 | 52% | 0.519 | 48% | 0.483 | S | S | . | . | 0 | 117.4 | 0 | -5.2 | 10 | 0 | 0 | 0 | 111.8 | E317 V318 | P315-E317 PolarHBondContact O-N 3.29Å; P315-V318 PolarHBondContact O-N 3.03Å | |||
| 316 | M | 29.6 | Very low | 30 | Very low | 151 Ų | 151 | 94.8 Ų | 94.8 | 74% | 0.744 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -28.5 | -16 | 174.6 | -96.4 | -77.5 | -62.7 | 0 | 0 | 111.4 | F314 V318 | F314-M316 PolarHBondContact O-N 3.31Å; M316-V318 PolarHBondContact O-N 3.12Å |
| 317 | E | 31.2 | Very low | 30.4 | Very low | 170 Ų | 170 | 92.2 Ų | 92.2 | 79% | 0.794 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -13.2 | -177.1 | -68.2 | 143.1 | -173.9 | 0 | 0 | 111 | P315 | P315-E317 PolarHBondContact O-N 3.29Š|
| 318 | V | 30.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 89.5 Ų | 89.5 | 63% | 0.63 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -105.4 | -9.2 | -174.3 | -178.6 | 0 | 0 | 0 | 0 | 109.2 | P315 M316 | P315-V318 PolarHBondContact O-N 3.03Å; M316-V318 PolarHBondContact O-N 3.12Å |
| 319 | M | 31.5 | Very low | 31.1 | Very low | 55 Ų | 55 | 88.7 Ų | 88.7 | 27% | 0.271 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -105.1 | 4.6 | -172.1 | -73.5 | -148.4 | 66.6 | 0 | 0 | 110.1 | Q323 | M319-Q323 VanDerWaalsContact O-CB 3.27Å; M319-Q323 WeakPolarHBondContact O-CB 3.45Å; M319-Q323 PolarHBondContact O-N 3.3Å |
| 320 | S | 29.3 | Very low | 31.6 | Very low | 84 Ų | 84 | 88 Ų | 88 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -80.9 | -24 | -164.7 | 121 | 0 | 0 | 0 | 0 | 110.9 | ||
| 321 | P | 29.5 | Very low | 31.8 | Very low | 78 Ų | 78 | 88.3 Ų | 88.3 | 51% | 0.506 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -94.1 | -17.2 | 174.5 | -8.4 | 12.3 | 0 | 0 | 0 | 111.7 | ||
| 322 | F | 31.4 | Very low | 31.9 | Very low | 135 Ų | 135 | 89.8 Ų | 89.8 | 59% | 0.592 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -92.2 | -28.6 | 179.2 | -109.1 | -89.5 | 0 | 0 | 0 | 110.7 | K324 L326 | F322-K324 VanDerWaalsContact C-N 3.34Å; F322-L326 WeakPolarHBondContact O-CB 3.49Å; F322-L326 WeakPolarHBondContact O-CD1 3.3Å; F322-L326 PolarHBondContact O-N 3.24Å |
| 323 | Q | 33 | Very low | 32 | Very low | 70 Ų | 70 | 88.4 Ų | 88.4 | 33% | 0.327 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.2 | -31.2 | 166.2 | -157.1 | 91.2 | 17.8 | 0 | 0 | 111.5 | M319 D327 | M319-Q323 VanDerWaalsContact O-CB 3.27Å; M319-Q323 WeakPolarHBondContact O-CB 3.45Å; M319-Q323 PolarHBondContact O-N 3.3Å; Q323-D327 WeakPolarHBondContact O-CB 3.39Å; Q323-D327 PolarHBondContact O-N 3.42Å |
| 324 | K | 35.8 | Very low | 32.1 | Very low | 91 Ų | 91 | 87.7 Ų | 87.7 | 40% | 0.396 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -79.6 | -30.9 | 178.8 | -147.8 | 176.6 | -179.3 | 179.9 | 0 | 110.8 | N290 F322 D327 D328 | N290-K324 WeakPolarHBondContact ND2-CE 3.06Å; F322-K324 VanDerWaalsContact C-N 3.34Å; K324-D327 WeakPolarHBondContact O-CB 3.24Å; K324-D328 PolarHBondContact O-N 2.98Å |
| 325 | I | 33.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 85.6 Ų | 85.6 | 56% | 0.564 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -85.4 | -35.6 | -179 | -70.8 | 173.6 | 0 | 0 | 0 | 109.2 | D327 D328 F329 | I325-D327 VanDerWaalsContact C-N 3.29Å; I325-D328 PolarHBondContact O-N 3.47Å; I325-F329 WeakPolarHBondContact O-CB 3.26Å; I325-F329 PolarHBondContact O-N 3.06Å |
| 326 | L | 35.3 | Very low | 32.1 | Very low | 105 Ų | 105 | 86.8 Ų | 86.8 | 55% | 0.55 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -72.9 | -32.9 | 171.4 | -91.1 | 158.1 | 0 | 0 | 0 | 111.1 | F322 R330 | F322-L326 WeakPolarHBondContact O-CB 3.49Å; F322-L326 WeakPolarHBondContact O-CD1 3.3Å; F322-L326 PolarHBondContact O-N 3.24Å; L326-R330 WeakPolarHBondContact O-CB 3.48Å; L326-R330 PolarHBondContact O-N 3.13Å |
| 327 | D | 36.6 | Very low | 32.1 | Very low | 68 Ų | 68 | 81.4 Ų | 81.4 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71.1 | -27.6 | 171.1 | -76.3 | -17.4 | 0 | 0 | 0 | 111.2 | Q323 K324 I325 H331 | Q323-D327 WeakPolarHBondContact O-CB 3.39Å; Q323-D327 PolarHBondContact O-N 3.42Å; K324-D327 WeakPolarHBondContact O-CB 3.24Å; I325-D327 VanDerWaalsContact C-N 3.29Å; D327-H331 WeakPolarHBondContact O-CB 3.1Å; D327-H331 PolarHBondContact O-N 2.96Å |
| 328 | D | 38.1 | Very low | 32 | Very low | 28 Ų | 28 | 77.6 Ų | 77.6 | 15% | 0.15 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -80.8 | -31.4 | 174.1 | -79.2 | -11.6 | 0 | 0 | 0 | 110.8 | L289 N290 K324 I325 M332 | L289-D328 VanDerWaalsContact C-OD2 3.3Å; L289-D328 PolarHBondContact N-OD2 2.81Å; L289-D328 VanDerWaalsContact O-CB 3.25Å; L289-D328 WeakPolarHBondContact O-CB 3.41Å; N290-D328 VanDerWaalsContact CA-OD1 3.3Å; N290-D328 WeakPolarHBondContact CA-OD1 3.15Å; N290-D328 PolarHBondContact N-OD1 2.89Å; K324-D328 PolarHBondContact O-N 2.98Å; I325-D328 PolarHBondContact O-N 3.47Å; D328-M332 WeakPolarHBondContact O-CB 3.27Å; D328-M332 PolarHBondContact O-N 2.96Å |
| 329 | F | 33.1 | Very low | 32 | Very low | 49 Ų | 49 | 76.2 Ų | 76.2 | 22% | 0.215 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -82.7 | -33.4 | 180 | -166.4 | -102.2 | 0 | 0 | 0 | 110.3 | D167 I325 C333 | D167-F329 HydrophobicContact CB-CD1 4.48Å; D167-F329 HydrophobicContact CB-CD2 4.06Å; D167-F329 HydrophobicContact CB-CE1 3.46Å; D167-F329 VanDerWaalsContact CB-CE1 3.46Å; D167-F329 HydrophobicContact CB-CE2 2.9Å; D167-F329 HydrophobicContact CB-CZ 2.49Å; D167-F329 WeakPolarHBondContact OD1-CD1 3.4Å; D167-F329 WeakPolarHBondContact OD1-CD2 3.44Å; D167-F329 WeakPolarHBondContact OD1-CE1 3.47Å; D167-F329 CovalentContact OD1-CE2 1.33Å; D167-F329 WeakPolarHBondContact OD1-CE2 3.37Å; D167-F329 WeakPolarHBondContact OD1-CG 3.01Å; D167-F329 WeakPolarHBondContact OD1-CZ 3.34Å; D167-F329 WeakPolarHBondContact OD2-CD2 3.22Å; D167-F329 VanDerWaalsContact OD2-CE1 3.24Å; D167-F329 WeakPolarHBondContact OD2-CE1 2.74Å; D167-F329 WeakPolarHBondContact OD2-CE2 3.16Å; D167-F329 WeakPolarHBondContact OD2-CG 3.3Å; D167-F329 WeakPolarHBondContact OD2-CZ 2.74Å; I325-F329 WeakPolarHBondContact O-CB 3.26Å; I325-F329 PolarHBondContact O-N 3.06Å; F329-C333 WeakPolarHBondContact O-CB 3.24Å; F329-C333 PolarHBondContact O-N 3.38Å; F329-C333 PolarHBondContact O-SG 3.47Å |
| 330 | R | 34.2 | Very low | 31.8 | Very low | 69 Ų | 69 | 78.5 Ų | 78.5 | 26% | 0.26 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -73.4 | -29.7 | 171.4 | -149.6 | -178.5 | 157.3 | 168.2 | 3.3 | 111.4 | P297 F301 L326 S334 | P297-R330 PolarHBondContact O-NH2 3.36Å; F301-R330 CovalentContact CD1-CZ 1.32Å; F301-R330 CovalentContact CD1-NH1 1.5Å; F301-R330 VanDerWaalsContact CD2-CD 3.43Å; F301-R330 HydrophobicContact CD2-CG 3.87Å; F301-R330 HydrophobicContact CE1-CG 3.65Å; F301-R330 CovalentContact CE1-NH1 1.18Å; F301-R330 HydrophobicContact CE2-CB 4.08Å; F301-R330 HydrophobicContact CE2-CG 2.6Å; F301-R330 CovalentContact CE2-NE 1.82Å; F301-R330 CovalentContact CG-NH2 1.55Å; F301-R330 HydrophobicContact CZ-CB 3.63Å; F301-R330 CovalentContact CZ-CD 1.48Å; F301-R330 HydrophobicContact CZ-CG 2.45Å; F301-R330 CovalentContact CZ-NE 1.57Å; L326-R330 WeakPolarHBondContact O-CB 3.48Å; L326-R330 PolarHBondContact O-N 3.13Å; R330-S334 VanDerWaalsContact O-CB 3.27Å; R330-S334 WeakPolarHBondContact O-CB 3.45Å; R330-S334 PolarHBondContact O-OG 3.13Å |
| 331 | H | 33.5 | Very low | 31.6 | Very low | 84 Ų | 84 | 79.7 Ų | 79.7 | 39% | 0.389 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -83.8 | -17 | 175.7 | -130 | 27.4 | 0 | 0 | 0 | 110.7 | I291 Q292 D327 S334 S335 | I291-H331 VanDerWaalsContact C-CD2 3.4Å; I291-H331 VanDerWaalsContact C-CE1 3.49Å; I291-H331 PolarHBondContact N-CD2 3.11Å; I291-H331 PolarHBondContact O-CD2 2.83Å; I291-H331 PolarHBondContact O-CE1 2.84Å; I291-H331 PolarHBondContact O-ND1 3.12Å; I291-H331 CovalentContact O-NE2 1.56Å; I291-H331 PolarHBondContact O-NE2 3.44Å; Q292-H331 PolarHBondContact N-NE2 3.29Å; D327-H331 WeakPolarHBondContact O-CB 3.1Å; D327-H331 PolarHBondContact O-N 2.96Å; H331-S334 WeakPolarHBondContact CA-OG 3.38Å; H331-S335 PolarHBondContact O-OG 3.29Å |
| 332 | M | 31.9 | Very low | 31.6 | Very low | 78 Ų | 78 | 83.4 Ų | 83.4 | 38% | 0.384 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -97.6 | -20.8 | 179.4 | -105 | -159.1 | -58 | 0 | 0 | 110 | D328 | D328-M332 WeakPolarHBondContact O-CB 3.27Å; D328-M332 PolarHBondContact O-N 2.96Å |
| 333 | C | 30.8 | Very low | 31.4 | Very low | 33 Ų | 33 | 84.2 Ų | 84.2 | 22% | 0.223 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -101.9 | -1.7 | -178.5 | -70.1 | 0 | 0 | 0 | 0 | 110.2 | N174 F329 F337 | N174-C333 WeakPolarHBondContact ND2-CA 3.39Å; F329-C333 WeakPolarHBondContact O-CB 3.24Å; F329-C333 PolarHBondContact O-N 3.38Å; F329-C333 PolarHBondContact O-SG 3.47Å; C333-F337 VanDerWaalsContact C-CD2 3.42Å; C333-F337 VanDerWaalsContact CA-CE2 3.5Å; C333-F337 HydrophobicContact CB-CD2 4.46Å; C333-F337 HydrophobicContact CB-CE2 3.99Å; C333-F337 WeakPolarHBondContact O-CD2 2.95Å; C333-F337 WeakPolarHBondContact O-CE2 2.41Å; C333-F337 WeakPolarHBondContact O-CG 2.64Å |
| 334 | S | 28.2 | Very low | 31 | Very low | 80 Ų | 80 | 87.9 Ų | 87.9 | 56% | 0.559 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -123 | 12.7 | -173.8 | 13 | 0 | 0 | 0 | 0 | 109.5 | R330 H331 | R330-S334 VanDerWaalsContact O-CB 3.27Å; R330-S334 WeakPolarHBondContact O-CB 3.45Å; R330-S334 PolarHBondContact O-OG 3.13Å; H331-S334 WeakPolarHBondContact CA-OG 3.38Å |
| 335 | S | 29.1 | Very low | 30.5 | Very low | 76 Ų | 76 | 85.9 Ų | 85.9 | 53% | 0.531 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -146.4 | 0 | -179.7 | 63.8 | 0 | 0 | 0 | 0 | 109.5 | H331 | H331-S335 PolarHBondContact O-OG 3.29Š|
| 336 | R | 28.5 | Very low | 30.2 | Very low | 104 Ų | 104 | 87.7 Ų | 87.7 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | S | Bend | 0 | 41.7 | 0 | -83.9 | -168.5 | -177.7 | 176.6 | -1.8 | 109.3 | K178 | K178-R336 CovalentContact CB-NH1 1.23Å; K178-R336 HydrophobicContact CD-CB 4.05Å; K178-R336 HydrophobicContact CD-CG 3.14Å; K178-R336 CovalentContact CD-CZ 1.69Å; K178-R336 CovalentContact CD-NE 1.7Å; K178-R336 CovalentContact CE-CD 1.65Å; K178-R336 VanDerWaalsContact CE-NH1 3.27Å; K178-R336 HydrophobicContact CG-CB 3.87Å; K178-R336 CovalentContact CG-CD 1.52Å; K178-R336 HydrophobicContact CG-CG 3.03Å; K178-R336 CovalentContact CG-NH1 1.61Å | |
| 337 | F | 29.9 | Very low | 29.8 | Very low | 39 Ų | 39 | 88.3 Ų | 88.3 | 17% | 0.171 | 44% | 0.441 | C | S | . | . | trans | -122.6 | 0 | -178.7 | -100.8 | -83.8 | 0 | 0 | 0 | 109.3 | N174 C333 Y339 L340 | N174-F337 HydrophobicContact CB-CE2 3.87Å; N174-F337 HydrophobicContact CB-CZ 4.33Å; N174-F337 WeakPolarHBondContact ND2-CD2 3.15Å; N174-F337 CovalentContact ND2-CE2 1.78Å; N174-F337 WeakPolarHBondContact ND2-CE2 2.99Å; N174-F337 WeakPolarHBondContact ND2-CZ 3.2Å; N174-F337 WeakPolarHBondContact OD1-CD2 3.03Å; N174-F337 WeakPolarHBondContact OD1-CE1 3.38Å; N174-F337 WeakPolarHBondContact OD1-CE2 3.26Å; N174-F337 WeakPolarHBondContact OD1-CG 3.42Å; N174-F337 WeakPolarHBondContact OD1-CZ 3.41Å; C333-F337 VanDerWaalsContact C-CD2 3.42Å; C333-F337 VanDerWaalsContact CA-CE2 3.5Å; C333-F337 HydrophobicContact CB-CD2 4.46Å; C333-F337 HydrophobicContact CB-CE2 3.99Å; C333-F337 WeakPolarHBondContact O-CD2 2.95Å; C333-F337 WeakPolarHBondContact O-CE2 2.41Å; C333-F337 WeakPolarHBondContact O-CG 2.64Å; F337-Y339 PolarHBondContact O-N 3.2Å; F337-Y339 VanDerWaalsContact O-N 3.14Å; F337-L340 HydrophobicContact CD1-CB 4.25Å; F337-L340 HydrophobicContact CD1-CD1 3.08Å; F337-L340 HydrophobicContact CD1-CG 4.03Å; F337-L340 HydrophobicContact CE1-CD1 3.13Å; F337-L340 HydrophobicContact CE1-CG 4.3Å; F337-L340 HydrophobicContact CG-CD1 4.29Å; F337-L340 HydrophobicContact CZ-CD1 4.36Å | ||
| 338 | S | 29 | Very low | 29.3 | Very low | 89 Ų | 89 | 92.6 Ų | 92.6 | 62% | 0.622 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | 0 | 0 | 0 | 63.1 | 0 | 0 | 0 | 0 | 111.6 | |||
| 339 | Y | 29 | Very low | 28.8 | Very low | 75 Ų | 75 | 97.4 Ų | 97.4 | 29% | 0.294 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | 0 | 2.7 | 0 | -92.2 | -84.8 | 0 | 0 | 0 | 109.5 | K177 F337 R342 | K177-Y339 HydrophobicContact CD-CD1 4.31Å; K177-Y339 HydrophobicContact CD-CD2 2.95Å; K177-Y339 HydrophobicContact CD-CE2 3.64Å; K177-Y339 HydrophobicContact CD-CG 3.36Å; K177-Y339 VanDerWaalsContact CE-CD1 3.41Å; K177-Y339 HydrophobicContact CG-CD2 3.87Å; K177-Y339 HydrophobicContact CG-CE2 4.04Å; K177-Y339 HydrophobicContact CG-CG 4.43Å; K177-Y339 CovalentContact NZ-CB 1.69Å; K177-Y339 VanDerWaalsContact NZ-CD1 3.29Å; F337-Y339 PolarHBondContact O-N 3.2Å; F337-Y339 VanDerWaalsContact O-N 3.14Å; Y339-R342 PolarHBondContact OH-NH1 3.48Å | |
| 340 | L | 27.6 | Very low | 28.9 | Very low | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -105.9 | -7.6 | 169.7 | -98.9 | 152 | 0 | 0 | 0 | 110.2 | F337 K344 | F337-L340 HydrophobicContact CD1-CB 4.25Å; F337-L340 HydrophobicContact CD1-CD1 3.08Å; F337-L340 HydrophobicContact CD1-CG 4.03Å; F337-L340 HydrophobicContact CE1-CD1 3.13Å; F337-L340 HydrophobicContact CE1-CG 4.3Å; F337-L340 HydrophobicContact CG-CD1 4.29Å; F337-L340 HydrophobicContact CZ-CD1 4.36Å; L340-K344 PolarHBondContact O-N 2.71Å |
| 341 | N | 25.9 | Very low | 28.8 | Very low | 110 Ų | 110 | 100.8 Ų | 100.8 | 59% | 0.588 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -92.2 | -0.7 | 163.4 | -89.1 | -20.2 | 0 | 0 | 0 | 111.5 | S345 | N341-S345 VanDerWaalsContact CA-OG 3.29Å; N341-S345 WeakPolarHBondContact CA-OG 3.11Å; N341-S345 WeakPolarHBondContact O-CA 3.14Å; N341-S345 WeakPolarHBondContact O-CB 3.11Å; N341-S345 PolarHBondContact O-N 3.33Å; N341-S345 CovalentContact O-OG 1.05Å; N341-S345 PolarHBondContact O-OG 2.79Å |
| 342 | R | 28.3 | Very low | 28.5 | Very low | 155 Ų | 155 | 101 Ų | 101 | 59% | 0.585 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -100.8 | -2.7 | 165.8 | -124 | 173.9 | 179.7 | 169.2 | 0.1 | 110.4 | Y339 S345 M346 | Y339-R342 PolarHBondContact OH-NH1 3.48Å; R342-S345 WeakPolarHBondContact CA-OG 3.42Å; R342-S345 PolarHBondContact N-OG 3.22Å; R342-M346 WeakPolarHBondContact O-CB 3.44Å; R342-M346 PolarHBondContact O-N 2.73Å; R342-M346 VanDerWaalsContact O-N 3.14Å |
| 343 | F | 27.2 | Very low | 28.2 | Very low | 153 Ų | 153 | 105 Ų | 105 | 67% | 0.671 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -103.4 | -19.9 | 165.7 | -147.3 | -96.9 | 0 | 0 | 0 | 110.2 | L347 | F343-L347 WeakPolarHBondContact O-CD1 3.27Å |
| 344 | K | 25.7 | Very low | 27.9 | Very low | 147 Ų | 147 | 106.9 Ų | 106.9 | 64% | 0.639 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -98.9 | -25.4 | 169 | -121.8 | -178.6 | -179.2 | 178.7 | 0 | 110.7 | L340 Y348 | L340-K344 PolarHBondContact O-N 2.71Å; K344-Y348 VanDerWaalsContact O-CB 3.27Å; K344-Y348 WeakPolarHBondContact O-CB 3.17Å; K344-Y348 PolarHBondContact O-N 1.89Å |
| 345 | S | 25.8 | Very low | 27.7 | Very low | 49 Ų | 49 | 109.4 Ų | 109.4 | 34% | 0.343 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -95.6 | -4.5 | 175.2 | 1.4 | 0 | 0 | 0 | 0 | 109.8 | N341 R342 | N341-S345 VanDerWaalsContact CA-OG 3.29Å; N341-S345 WeakPolarHBondContact CA-OG 3.11Å; N341-S345 WeakPolarHBondContact O-CA 3.14Å; N341-S345 WeakPolarHBondContact O-CB 3.11Å; N341-S345 PolarHBondContact O-N 3.33Å; N341-S345 CovalentContact O-OG 1.05Å; N341-S345 PolarHBondContact O-OG 2.79Å; R342-S345 WeakPolarHBondContact CA-OG 3.42Å; R342-S345 PolarHBondContact N-OG 3.22Å |
| 346 | M | 27 | Very low | 27.4 | Very low | 148 Ų | 148 | 112.8 Ų | 112.8 | 73% | 0.729 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -96 | -8.3 | 161.2 | -127.1 | -144.5 | -147 | 0 | 0 | 110.1 | R342 | R342-M346 WeakPolarHBondContact O-CB 3.44Å; R342-M346 PolarHBondContact O-N 2.73Å; R342-M346 VanDerWaalsContact O-N 3.14Å |
| 347 | L | 26.3 | Very low | 27.2 | Very low | 118 Ų | 118 | 115.9 Ų | 115.9 | 62% | 0.618 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -103.9 | 0 | 168.8 | -91.7 | 155.5 | 0 | 0 | 0 | 110.4 | F343 L351 | F343-L347 WeakPolarHBondContact O-CD1 3.27Å; L347-L351 WeakPolarHBondContact O-CD1 3.44Å |
| 348 | Y | 25.7 | Very low | 26.9 | Very low | 158 Ų | 158 | 119.1 Ų | 119.1 | 62% | 0.62 | 63% | 0.627 | S | S | * | * | H | α-helix | 0 | 0 | 0 | -113.2 | -90.1 | 0 | 0 | 0 | 109.3 | K344 L351 | K344-Y348 VanDerWaalsContact O-CB 3.27Å; K344-Y348 WeakPolarHBondContact O-CB 3.17Å; K344-Y348 PolarHBondContact O-N 1.89Å; Y348-L351 VanDerWaalsContact C-CG 3.43Å; Y348-L351 HydrophobicContact CD1-CD1 3.54Å; Y348-L351 HydrophobicContact CD1-CD2 2.93Å; Y348-L351 HydrophobicContact CD1-CG 3.81Å; Y348-L351 HydrophobicContact CD2-CD1 3.96Å; Y348-L351 HydrophobicContact CE1-CD1 4.03Å; Y348-L351 HydrophobicContact CE1-CD2 3.54Å; Y348-L351 HydrophobicContact CE1-CG 4.44Å; Y348-L351 HydrophobicContact CE2-CD1 4.42Å; Y348-L351 HydrophobicContact CG-CD1 3.49Å; Y348-L351 VanDerWaalsContact CG-CD1 3.49Å; Y348-L351 HydrophobicContact CG-CD2 3.7Å; Y348-L351 HydrophobicContact CG-CG 4.11Å; Y348-L351 CarbonylContact O-C 3.41Å; Y348-L351 VanDerWaalsContact O-C 3.27Å; Y348-L351 WeakPolarHBondContact O-CA 3.41Å; Y348-L351 CovalentContact O-CB 1.82Å; Y348-L351 WeakPolarHBondContact O-CB 2.93Å; Y348-L351 WeakPolarHBondContact O-CD2 3.45Å; Y348-L351 WeakPolarHBondContact O-CG 3.28Å | |
| 349 | I | 28.8 | Very low | 26.6 | Very low | 129 Ų | 129 | 120.1 Ų | 120.1 | 66% | 0.662 | 63% | 0.629 | S | S | * | * | S | Bend | 0 | 0 | 0 | -66.6 | 173.3 | 0 | 0 | 0 | 108.3 | L351 P352 | I349-L351 VanDerWaalsContact C-C 3.5Å; I349-L351 CarbonylContact C-O 3.56Å; I349-L351 VanDerWaalsContact CA-C 3.49Å; I349-L351 WeakPolarHBondContact CA-O 3.33Å; I349-L351 PolarHBondContact N-O 3.22Å; I349-L351 CarbonylContact O-C 2.4Å; I349-P352 HydrophobicContact CG2-CG 4.45Å; I349-P352 WeakPolarHBondContact O-CG 2.54Å | |
| 350 | S | 34.5 | Very low | 26.3 | Very low | 112 Ų | 112 | 123.8 Ų | 123.8 | 78% | 0.783 | 65% | 0.646 | S | S | * | * | S | Bend | 0 | 0 | 0 | -25.9 | 0 | 0 | 0 | 0 | 109.7 | |||
| 351 | L | 32 | Very low | 26.1 | Very low | 77 Ų | 77 | 128.4 Ų | 128.4 | 40% | 0.403 | 66% | 0.657 | S | S | . | * | S | Bend | 0 | 0 | 0 | -115.5 | 110 | 0 | 0 | 0 | 111.3 | L347 Y348 I349 | L347-L351 WeakPolarHBondContact O-CD1 3.44Å; Y348-L351 VanDerWaalsContact C-CG 3.43Å; Y348-L351 HydrophobicContact CD1-CD1 3.54Å; Y348-L351 HydrophobicContact CD1-CD2 2.93Å; Y348-L351 HydrophobicContact CD1-CG 3.81Å; Y348-L351 HydrophobicContact CD2-CD1 3.96Å; Y348-L351 HydrophobicContact CE1-CD1 4.03Å; Y348-L351 HydrophobicContact CE1-CD2 3.54Å; Y348-L351 HydrophobicContact CE1-CG 4.44Å; Y348-L351 HydrophobicContact CE2-CD1 4.42Å; Y348-L351 HydrophobicContact CG-CD1 3.49Å; Y348-L351 VanDerWaalsContact CG-CD1 3.49Å; Y348-L351 HydrophobicContact CG-CD2 3.7Å; Y348-L351 HydrophobicContact CG-CG 4.11Å; Y348-L351 CarbonylContact O-C 3.41Å; Y348-L351 VanDerWaalsContact O-C 3.27Å; Y348-L351 WeakPolarHBondContact O-CA 3.41Å; Y348-L351 CovalentContact O-CB 1.82Å; Y348-L351 WeakPolarHBondContact O-CB 2.93Å; Y348-L351 WeakPolarHBondContact O-CD2 3.45Å; Y348-L351 WeakPolarHBondContact O-CG 3.28Å; I349-L351 VanDerWaalsContact C-C 3.5Å; I349-L351 CarbonylContact C-O 3.56Å; I349-L351 VanDerWaalsContact CA-C 3.49Å; I349-L351 WeakPolarHBondContact CA-O 3.33Å; I349-L351 PolarHBondContact N-O 3.22Å; I349-L351 CarbonylContact O-C 2.4Å | |
| 352 | P | 27.6 | Very low | 26 | Very low | 88 Ų | 88 | 128.6 Ų | 128.6 | 57% | 0.571 | 67% | 0.667 | S | S | * | * | 0 | 0 | 0 | 26.6 | -0.9 | 0 | 0 | 0 | 112 | I349 | I349-P352 HydrophobicContact CG2-CG 4.45Å; I349-P352 WeakPolarHBondContact O-CG 2.54Å | |||
| 353 | I | 26 | Very low | 25.8 | Very low | 161 Ų | 161 | 126.7 Ų | 126.7 | 83% | 0.826 | 68% | 0.677 | S | S | * | * | 0 | 58.6 | 0 | -63.8 | 170.1 | 0 | 0 | 0 | 108.1 | |||||
| 354 | G | 23.5 | Very low | 25.8 | Very low | 73 Ų | 73 | 124.7 Ų | 124.7 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | trans | -138.6 | 56.8 | 144.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 355 | L | 24.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 70% | 0.702 | 69% | 0.687 | S | S | * | * | 16.3 | 84.7 | 97.8 | -85.2 | 158 | 0 | 0 | 0 | 111.3 | |||||
| 356 | Q | 23.8 | Very low | 25.9 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | 152.2 | 0 | 117.5 | -89.6 | -177.7 | -7.1 | 0 | 0 | 109.5 | |||||
| 357 | H | 23.7 | Very low | 25.7 | Very low | 170 Ų | 170 | 128.2 Ų | 128.2 | 79% | 0.787 | 71% | 0.713 | S | S | * | * | 0 | 0 | 0 | -77 | -66.6 | 0 | 0 | 0 | 109.5 | |||||
| 358 | S | 23.4 | Very low | 25.7 | Very low | 106 Ų | 106 | 130.8 Ų | 130.8 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | 0 | 108.2 | 0 | 78 | 0 | 0 | 0 | 0 | 110 | |||||
| 359 | V | 22.2 | Very low | 25.5 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 67% | 0.673 | 73% | 0.729 | S | S | * | * | 93 | 0 | 91.5 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 360 | K | 23 | Very low | 25.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | 0 | 0 | 0 | -100.4 | -177.4 | -176.4 | -179.3 | 0 | 109.8 | |||||
| 361 | R | 23.8 | Very low | 25 | Very low | 201 Ų | 201 | 131 Ų | 131 | 76% | 0.758 | 73% | 0.731 | S | S | * | * | 0 | 0 | 0 | -86.7 | -170.8 | -169.8 | 176.3 | 1.8 | 109.5 | |||||
| 362 | S | 24 | Very low | 24.6 | Very low | 114 Ų | 114 | 134.1 Ų | 134.1 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | 0 | 106 | 0 | 38.1 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 363 | S | 22.7 | Very low | 24.6 | Very low | 114 Ų | 114 | 138.1 Ų | 138.1 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | -5.9 | 0 | 128 | 38.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 364 | P | 28.2 | Very low | 24.6 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 33.3 | -3.6 | 0 | 0 | 0 | 111.9 | |||||
| 365 | S | 26.4 | Very low | 24.7 | Very low | 115 Ų | 115 | 148.3 Ų | 148.3 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | 0 | 0 | 0 | 52.7 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 366 | Q | 26.3 | Very low | 25 | Very low | 192 Ų | 192 | 151.2 Ų | 151.2 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | 0 | 0 | 0 | -81.7 | -161.2 | -11.9 | 0 | 0 | 110 | |||||
| 367 | P | 22.9 | Very low | 25.2 | Very low | 111 Ų | 111 | 156.7 Ų | 156.7 | 72% | 0.721 | 79% | 0.792 | S | S | * | * | 0 | 0 | 0 | 33.2 | -4.4 | 0 | 0 | 0 | 111.9 | |||||
| 368 | I | 25.9 | Very low | 25.4 | Very low | 173 Ų | 173 | 159.9 Ų | 159.9 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | 0 | 0 | 0 | -63.3 | 172.1 | 0 | 0 | 0 | 108.3 | |||||
| 369 | K | 22.4 | Very low | 25.9 | Very low | 157 Ų | 157 | 161.6 Ų | 161.6 | 68% | 0.683 | 80% | 0.796 | S | S | * | * | 0 | 0 | 0 | -87.6 | -172.9 | -177.7 | -180 | 0 | 111.5 | |||||
| 370 | V | 27.4 | Very low | 26.4 | Very low | 135 Ų | 135 | 163.6 Ų | 163.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | 0 | 0 | 0 | -178.6 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 371 | V | 24.7 | Very low | 26.9 | Very low | 110 Ų | 110 | 165 Ų | 165 | 67% | 0.667 | 81% | 0.805 | S | S | * | * | 0 | 0 | 0 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 372 | N | 25.3 | Very low | 27.1 | Very low | 144 Ų | 144 | 160.8 Ų | 160.8 | 77% | 0.77 | 81% | 0.806 | S | S | * | * | 0 | 109.6 | 0 | -82 | -16.9 | 0 | 0 | 0 | 110.5 | |||||
| 373 | Q | 27.1 | Very low | 27.4 | Very low | 171 Ų | 171 | 160.1 Ų | 160.1 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | trans | -166 | 0 | 141.5 | -96 | -173.6 | 1.8 | 0 | 0 | 109.4 | ||||
| 374 | W | 25.1 | Very low | 27.9 | Very low | 234 Ų | 234 | 161 Ų | 161 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | 0 | 78.2 | 0 | -87.6 | 60.6 | 0 | 0 | 0 | 109.1 | |||||
| 375 | K | 25.8 | Very low | 28 | Very low | 214 Ų | 214 | 165.2 Ų | 165.2 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | trans | -79.2 | 101.2 | 137.1 | -99.5 | -176.5 | -178 | 179.8 | 0 | 110.6 | ||||
| 376 | K | 30.2 | Very low | 28.4 | Very low | 196 Ų | 196 | 165.5 Ų | 165.5 | 85% | 0.852 | 81% | 0.811 | S | S | * | * | trans | 179 | 0 | 138.1 | -114.8 | -179.9 | -178.5 | 178.2 | 0 | 109.4 | ||||
| 377 | R | 29.8 | Very low | 28.5 | Very low | 260 Ų | 260 | 168.3 Ų | 168.3 | 98% | 0.981 | 81% | 0.813 | S | S | * | * | 0 | 0 | 0 | -86.4 | -173.4 | -165.5 | 177.1 | -1.1 | 109.4 | |||||
| 378 | R | 27.7 | Very low | 29.2 | Very low | 237 Ų | 237 | 167.8 Ų | 167.8 | 89% | 0.894 | 81% | 0.81 | S | S | * | * | 0 | 0 | 0 | -111.3 | -168.5 | -127.7 | 177.3 | -0.3 | 111.1 | |||||
| 379 | I | 33.6 | Very low | 29.5 | Very low | 142 Ų | 142 | 166.1 Ų | 166.1 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | 0 | 107 | 0 | -63.9 | 172.9 | 0 | 0 | 0 | 108.1 | |||||
| 380 | E | 32.2 | Very low | 29.9 | Very low | 154 Ų | 154 | 166 Ų | 166 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | 158.8 | 0 | 126 | -103.1 | 180 | -179.8 | 0 | 0 | 109.5 | |||||
| 381 | K | 32.8 | Very low | 30 | Very low | 181 Ų | 181 | 168.9 Ų | 168.9 | 79% | 0.787 | 81% | 0.809 | S | S | * | * | 0 | 0 | 0 | -93.1 | -177 | -178.5 | 179.6 | 0 | 109.5 | |||||
| 382 | S | 28.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 171.4 Ų | 171.4 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | 0 | 121.9 | 0 | 54.9 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 383 | S | 30.5 | Very low | 30.7 | Very low | 100 Ų | 100 | 172.8 Ų | 172.8 | 70% | 0.699 | 80% | 0.801 | S | S | * | * | 117.4 | 125.2 | 105.8 | 68.4 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 384 | T | 34.3 | Very low | 30.9 | Very low | 131 Ų | 131 | 173.1 Ų | 173.1 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | 156.7 | 0 | 114.7 | 15.5 | 0 | 0 | 0 | 0 | 109 | |||||
| 385 | K | 29.7 | Very low | 31.1 | Very low | 201 Ų | 201 | 166.3 Ų | 166.3 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | 0 | 122.3 | 0 | -95.1 | -177.2 | -176.9 | 179.4 | 0 | 110.7 | |||||
| 386 | S | 33.5 | Very low | 31.2 | Very low | 121 Ų | 121 | 163.4 Ų | 163.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | 152.6 | 0 | 116.7 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 387 | R | 29.8 | Very low | 31.2 | Very low | 250 Ų | 250 | 161.7 Ų | 161.7 | 94% | 0.943 | 78% | 0.782 | S | S | * | * | 0 | 0 | 0 | -138.8 | 175.7 | -174.9 | -178 | 0.2 | 111.4 | |||||
| 388 | P | 36.6 | Very low | 31 | Very low | 101 Ų | 101 | 154 Ų | 154 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | 0 | 150.6 | 0 | 34.5 | -2.7 | 0 | 0 | 0 | 111.9 | |||||
| 389 | T | 33 | Very low | 31 | Very low | 137 Ų | 137 | 147.5 Ų | 147.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -160.4 | 0 | 161.7 | 6.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 390 | I | 29.4 | Very low | 30.7 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 80% | 0.8 | 76% | 0.764 | S | S | * | * | 0 | 0 | 0 | -64.6 | 173.5 | 0 | 0 | 0 | 109.3 | |||||
| 391 | R | 31.4 | Very low | 30.7 | Very low | 195 Ų | 195 | 144.4 Ų | 144.4 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | 0 | 0 | 0 | -109.5 | -174.5 | -180 | 174.6 | 0.2 | 109.3 | |||||
| 392 | R | 31.1 | Very low | 30.3 | Very low | 163 Ų | 163 | 143 Ų | 143 | 62% | 0.615 | 76% | 0.759 | S | S | * | * | 0 | 0 | 0 | -107.5 | -172.5 | -176.6 | 177.3 | 0.5 | 109.7 | |||||
| 393 | R | 32.2 | Very low | 30.1 | Very low | 173 Ų | 173 | 143.7 Ų | 143.7 | 65% | 0.653 | 75% | 0.754 | S | S | * | * | 0 | 0 | 0 | -105.6 | -175.4 | -175.9 | 168.9 | 0.9 | 109.8 | |||||
| 394 | K | 32.6 | Very low | 30.1 | Very low | 178 Ų | 178 | 146.3 Ų | 146.3 | 77% | 0.774 | 76% | 0.761 | S | S | * | * | 0 | 0 | 0 | -104.5 | -178.9 | -178.3 | 178 | 0 | 109.8 | |||||
| 395 | A | 29.5 | Very low | 29.5 | Very low | 91 Ų | 91 | 147.7 Ų | 147.7 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 396 | L | 26.7 | Very low | 29.3 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 75% | 0.752 | S | S | * | * | 0 | 120.5 | 0 | -120.4 | 107.8 | 0 | 0 | 0 | 110.3 | |||||
| 397 | E | 30.1 | Very low | 29 | Very low | 160 Ų | 160 | 143.7 Ų | 143.7 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | 143.5 | 114.5 | 107.5 | -89.9 | -179.2 | -179.7 | 0 | 0 | 109.6 | |||||
| 398 | S | 25.3 | Very low | 28.6 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 69% | 0.685 | 74% | 0.736 | S | S | * | * | 80.8 | 122.7 | 92.9 | 70.9 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 399 | S | 27.5 | Very low | 28 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 74% | 0.738 | S | S | * | * | 117.7 | 112.5 | 101.6 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 400 | V | 27 | Very low | 27.5 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | 93.7 | 0 | 96.8 | -176.6 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 401 | P | 32.2 | Very low | 27.4 | Very low | 97 Ų | 97 | 140.9 Ų | 140.9 | 63% | 0.63 | 74% | 0.736 | S | S | * | * | 0 | 0 | 0 | 34.4 | -4.8 | 0 | 0 | 0 | 112 | |||||
| 402 | L | 24.6 | Very low | 27.2 | Very low | 150 Ų | 150 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | 0 | 114 | 0 | -129.6 | 96 | 0 | 0 | 0 | 109.8 | |||||
| 403 | D | 24.4 | Very low | 27 | Very low | 127 Ų | 127 | 137 Ų | 137 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | 161.2 | 107.2 | 122.1 | -87 | -16.9 | 0 | 0 | 0 | 109.2 | |||||
| 404 | N | 30.9 | Very low | 26.8 | Very low | 155 Ų | 155 | 134 Ų | 134 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | 152.4 | 0 | 121.8 | -83.2 | -11 | 0 | 0 | 0 | 109.7 | |||||
| 405 | L | 23 | Very low | 26.5 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 74% | 0.738 | S | S | * | * | 0 | 117.5 | 0 | -87.7 | 157.6 | 0 | 0 | 0 | 111.3 | |||||
| 406 | I | 24.6 | Very low | 26.3 | Very low | 127 Ų | 127 | 139 Ų | 139 | 65% | 0.651 | 74% | 0.744 | S | S | * | * | 122.9 | 115.7 | 111 | -63.7 | 175.9 | 0 | 0 | 0 | 108.2 | |||||
| 407 | T | 26.8 | Very low | 26.1 | Very low | 111 Ų | 111 | 137 Ų | 137 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | 151.9 | 0 | 117.5 | -21.8 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 408 | L | 22.3 | Very low | 25.9 | Very low | 149 Ų | 149 | 136 Ų | 136 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | 0 | 116.7 | 0 | -79.3 | 164.3 | 0 | 0 | 0 | 110.1 | |||||
| 409 | S | 23.6 | Very low | 26.1 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 74% | 0.741 | S | S | * | * | 115 | 0 | 106.2 | 60.5 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 410 | F | 23.1 | Very low | 25.9 | Very low | 195 Ų | 195 | 139.2 Ų | 139.2 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | 0 | 119.2 | 0 | -92.8 | -84.4 | 0 | 0 | 0 | 110.1 | |||||
| 411 | D | 27.6 | Very low | 25.8 | Very low | 141 Ų | 141 | 137.5 Ų | 137.5 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | 163.3 | 0 | 122.1 | -111.3 | -9.4 | 0 | 0 | 0 | 109.3 | |||||
| 412 | E | 26 | Very low | 25.3 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | 0 | 115.6 | 0 | -102.3 | -177.3 | 177.4 | 0 | 0 | 110.8 | |||||
| 413 | N | 26.6 | Very low | 25.4 | Very low | 123 Ų | 123 | 137.2 Ų | 137.2 | 66% | 0.658 | 76% | 0.758 | S | S | * | * | 128.6 | 113 | 118.2 | -86.6 | -11.7 | 0 | 0 | 0 | 109.9 | |||||
| 414 | T | 28.6 | Very low | 25.4 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | 106.6 | 114.5 | 105.7 | 36.7 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 415 | N | 26.1 | Very low | 25.2 | Very low | 142 Ų | 142 | 140.1 Ų | 140.1 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 80.3 | 113.4 | 109 | -79.9 | -19.2 | 0 | 0 | 0 | 110.7 | |||||
| 416 | R | 24.8 | Very low | 25.5 | Very low | 233 Ų | 233 | 142.2 Ų | 142.2 | 88% | 0.879 | 77% | 0.77 | S | S | * | * | 124.4 | 118.7 | 112 | -106.1 | -173.1 | 169.8 | -179.7 | -0.4 | 109.5 | |||||
| 417 | V | 24.2 | Very low | 25.7 | Very low | 109 Ų | 109 | 142 Ų | 142 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | 49.2 | 119.9 | 104.6 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 418 | D | 24.1 | Very low | 25.7 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | 125.4 | 122.6 | 107.9 | -88.1 | -18.9 | 0 | 0 | 0 | 109.4 | |||||
| 419 | S | 29.7 | Very low | 25.8 | Very low | 109 Ų | 109 | 144 Ų | 144 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | 148.1 | 109.1 | 116 | 22 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 420 | N | 24.1 | Very low | 25.8 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | 70.9 | 115 | 106.1 | -84.4 | -8 | 0 | 0 | 0 | 111.1 | |||||
| 421 | A | 24 | Very low | 25.8 | Very low | 97 Ų | 97 | 145.2 Ų | 145.2 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | 100.9 | 111.9 | 108.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 422 | C | 22.3 | Very low | 25.6 | Very low | 126 Ų | 126 | 146 Ų | 146 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | 98.2 | 115.7 | 103.2 | -149.1 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 423 | S | 27.1 | Very low | 25.5 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 165.8 | 108.1 | 116.2 | 59.4 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 424 | D | 24.1 | Very low | 25.5 | Very low | 160 Ų | 160 | 146.7 Ų | 146.7 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | 40.6 | 98.5 | 111.2 | -108.6 | -7.5 | 0 | 0 | 0 | 111.1 | |||||
| 425 | E | 26.7 | Very low | 25.3 | Very low | 183 Ų | 183 | 146.5 Ų | 146.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | -177.8 | 0 | 142.2 | -101.7 | -177 | 177.9 | 0 | 0 | 109.3 | ||||
| 426 | K | 29.2 | Very low | 25.2 | Very low | 205 Ų | 205 | 150 Ų | 150 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | 0 | 0 | 0 | -98.1 | -176 | -177.7 | 178.7 | 0 | 109.4 | |||||
| 427 | T | 28.3 | Very low | 25.1 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | 0 | 90 | 0 | 39.3 | 0 | 0 | 0 | 0 | 110.7 | L429 | T427-L429 VanDerWaalsContact C-N 3.25Å; T427-L429 HydrophobicContact CG2-CD1 3.66Å | |||
| 428 | D | 26.4 | Very low | 25.2 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | -72.9 | 0 | 141.3 | -93.7 | -14.2 | 0 | 0 | 0 | 111 | ||||
| 429 | L | 25.2 | Very low | 25.1 | Very low | 131 Ų | 131 | 152 Ų | 152 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | 0 | 82.6 | 0 | -96.3 | 141.3 | 0 | 0 | 0 | 109.8 | T427 V431 | T427-L429 VanDerWaalsContact C-N 3.25Å; T427-L429 HydrophobicContact CG2-CD1 3.66Å; L429-V431 PolarHBondContact O-N 3.36Å | |||
| 430 | K | 24.3 | Very low | 24.9 | Very low | 206 Ų | 206 | 153.8 Ų | 153.8 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -43.8 | 79.1 | 145.5 | -104.3 | -179.7 | -178.4 | -179.5 | 0 | 111.4 | N432 | K430-N432 VanDerWaalsContact C-N 3.29Å; K430-N432 PolarHBondContact O-N 2.99Å | ||
| 431 | V | 22.9 | Very low | 24.9 | Very low | 112 Ų | 112 | 157 Ų | 157 | 68% | 0.679 | 81% | 0.811 | S | S | * | * | trans | -38.8 | 77.4 | 153.7 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | L429 L433 | L429-V431 PolarHBondContact O-N 3.36Å; V431-L433 HydrophobicContact CG1-CG 4.5Å | ||
| 432 | N | 24.1 | Very low | 25 | Very low | 157 Ų | 157 | 157.6 Ų | 157.6 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -75.6 | 87.4 | 159.3 | -102.4 | -19.6 | 0 | 0 | 0 | 110.8 | K430 T434 | K430-N432 VanDerWaalsContact C-N 3.29Å; K430-N432 PolarHBondContact O-N 2.99Å; N432-T434 VanDerWaalsContact C-N 3.34Å; N432-T434 PolarHBondContact O-N 3.18Å | ||
| 433 | L | 23.1 | Very low | 25.1 | Very low | 153 Ų | 153 | 156.7 Ų | 156.7 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | -20.4 | 0 | 155 | -77.6 | 156.6 | 0 | 0 | 0 | 111.4 | V431 | V431-L433 HydrophobicContact CG1-CG 4.5Š| ||
| 434 | T | 26.9 | Very low | 25.1 | Very low | 141 Ų | 141 | 154.7 Ų | 154.7 | 87% | 0.865 | 80% | 0.798 | S | S | * | * | 0 | 51.1 | 0 | 42.1 | 0 | 0 | 0 | 0 | 109 | N432 | N432-T434 VanDerWaalsContact C-N 3.34Å; N432-T434 PolarHBondContact O-N 3.18Å | |||
| 435 | S | 23.3 | Very low | 25.3 | Very low | 104 Ų | 104 | 152.6 Ų | 152.6 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | -101.3 | 80.1 | 167.1 | 149.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 436 | R | 25 | Very low | 25.3 | Very low | 217 Ų | 217 | 153.4 Ų | 153.4 | 82% | 0.819 | 80% | 0.795 | S | S | * | * | trans | -123 | 84.2 | 153.1 | -86 | -172.1 | -176.7 | -172.6 | 0.3 | 109.5 | F438 | R436-F438 HydrophobicContact CB-CD2 3.79Å; R436-F438 HydrophobicContact CB-CE2 3.58Å; R436-F438 VanDerWaalsContact CD-CE2 3.41Å; R436-F438 HydrophobicContact CG-CD2 4.5Å; R436-F438 HydrophobicContact CG-CE2 3.78Å | ||
| 437 | R | 23.2 | Very low | 25.1 | Very low | 230 Ų | 230 | 153 Ų | 153 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | -18.3 | 0 | 128.5 | -80 | -171.2 | -167.1 | -172.6 | -0 | 111.4 | |||||
| 438 | F | 25.3 | Very low | 25 | Very low | 168 Ų | 168 | 155 Ų | 155 | 74% | 0.737 | 80% | 0.798 | S | S | * | * | 0 | 104.7 | 0 | -80.1 | -82.9 | 0 | 0 | 0 | 109.2 | R436 | R436-F438 HydrophobicContact CB-CD2 3.79Å; R436-F438 HydrophobicContact CB-CE2 3.58Å; R436-F438 VanDerWaalsContact CD-CE2 3.41Å; R436-F438 HydrophobicContact CG-CD2 4.5Å; R436-F438 HydrophobicContact CG-CE2 3.78Å | |||
| 439 | V | 22.7 | Very low | 25 | Very low | 123 Ų | 123 | 156.9 Ų | 156.9 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | -50 | 0 | 143.7 | -175 | 0 | 0 | 0 | 0 | 110 | ||||
| 440 | N | 25.7 | Very low | 25 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | 0 | 0 | 0 | -94.8 | -12.7 | 0 | 0 | 0 | 109.8 | |||||
| 441 | W | 23.5 | Very low | 25.3 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 86% | 0.856 | 77% | 0.774 | S | S | * | * | 0 | 102.3 | 0 | -142.4 | 48 | 0 | 0 | 0 | 109.5 | |||||
| 442 | C | 25.4 | Very low | 25.8 | Very low | 111 Ų | 111 | 149.2 Ų | 149.2 | 75% | 0.75 | 77% | 0.766 | S | S | * | * | trans | -119.9 | 122 | 144.7 | -110.1 | 0 | 0 | 0 | 0 | 109.5 | G444 | C442-G444 PolarHBondContact O-N 3.44Š| ||
| 443 | P | 24.9 | Very low | 26.3 | Very low | 107 Ų | 107 | 146.7 Ų | 146.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | 0 | 171.1 | 3.8 | 9.5 | 0 | 0 | 0 | 111.7 | ||
| 444 | G | 27.2 | Very low | 27.1 | Very low | 72 Ų | 72 | 143 Ų | 143 | 74% | 0.742 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | 0 | 35.8 | 0 | 0 | 0 | 0 | 0 | 0 | 110.8 | C442 | C442-G444 PolarHBondContact O-N 3.44Š| |
| 445 | T | 28.1 | Very low | 27.7 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 72% | 0.718 | 74% | 0.738 | S | S | * | * | trans | -156.5 | 97.4 | 167.6 | 29.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 446 | H | 27.4 | Very low | 28.4 | Very low | 200 Ų | 200 | 140.2 Ų | 140.2 | 93% | 0.926 | 72% | 0.718 | S | S | * | * | trans | -34.9 | 109.6 | 158.2 | -69.1 | -49.3 | 0 | 0 | 0 | 111.5 | ||||
| 447 | F | 25.3 | Very low | 29 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -45.3 | 0 | 174.8 | -73.1 | -81.8 | 0 | 0 | 0 | 110.7 | ||||
| 448 | I | 25.6 | Very low | 29.7 | Very low | 166 Ų | 166 | 127.2 Ų | 127.2 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | 0 | 0 | 0 | -60.8 | 174.6 | 0 | 0 | 0 | 108.5 | |||||
| 449 | R | 25.7 | Very low | 30.2 | Very low | 211 Ų | 211 | 122.4 Ų | 122.4 | 80% | 0.796 | 67% | 0.67 | S | S | * | * | 0 | 0 | 0 | -122.9 | -176.8 | -169.4 | 177.5 | 0.7 | 111.5 | |||||
| 450 | V | 26.6 | Very low | 31 | Very low | 145 Ų | 145 | 123 Ų | 123 | 88% | 0.879 | 66% | 0.662 | S | S | * | * | 0 | 0 | 0 | -175.6 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 451 | S | 30.4 | Very low | 31.6 | Very low | 44 Ų | 44 | 121.5 Ų | 121.5 | 31% | 0.308 | 65% | 0.653 | S | S | . | * | 0 | 113.6 | 0 | -18.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 452 | D | 31.8 | Very low | 32.1 | Very low | 98 Ų | 98 | 117.5 Ų | 117.5 | 52% | 0.524 | 65% | 0.648 | S | S | . | * | trans | -16.7 | 107.1 | 146.3 | -150.6 | -16.4 | 0 | 0 | 0 | 111.3 | A454 E455 | D452-A454 PolarHBondContact O-N 3.12Å; D452-A454 VanDerWaalsContact O-N 3.08Å; D452-E455 HydrophobicContact CB-CB 4.41Å; D452-E455 PolarHBondContact O-N 3.28Å | ||
| 453 | P | 34.8 | Very low | 32.5 | Very low | 105 Ų | 105 | 119.6 Ų | 119.6 | 68% | 0.682 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -53.9 | -5.7 | -179.1 | -2.9 | 6.4 | 0 | 0 | 0 | 111.6 | ||
| 454 | A | 40.6 | Very low | 33.1 | Very low | 76 Ų | 76 | 121.1 Ų | 121.1 | 63% | 0.628 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -106.2 | -10.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | D452 | D452-A454 PolarHBondContact O-N 3.12Å; D452-A454 VanDerWaalsContact O-N 3.08Å |
| 455 | E | 40.2 | Very low | 33.4 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 60% | 0.603 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -103 | -7.9 | 177.4 | -81.8 | -172.7 | 175.9 | 0 | 0 | 110.6 | D452 V459 | D452-E455 HydrophobicContact CB-CB 4.41Å; D452-E455 PolarHBondContact O-N 3.28Å; E455-V459 WeakPolarHBondContact O-CB 3.26Å; E455-V459 WeakPolarHBondContact O-CG2 2.83Å; E455-V459 PolarHBondContact O-N 3.48Å |
| 456 | D | 37.7 | Very low | 33.4 | Very low | 56 Ų | 56 | 129.2 Ų | 129.2 | 30% | 0.299 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -90.9 | -13.6 | 177.1 | -116.8 | -0.4 | 0 | 0 | 0 | 110.4 | K460 | D456-K460 WeakPolarHBondContact O-CB 3.27Å; D456-K460 WeakPolarHBondContact O-CG 3.19Å; D456-K460 PolarHBondContact O-N 3.21Å |
| 457 | E | 37.4 | Very low | 33.5 | Very low | 121 Ų | 121 | 127 Ų | 127 | 57% | 0.565 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -96.3 | -23.6 | 176.1 | -94.3 | -98.4 | 165.2 | 0 | 0 | 110.7 | V459 K460 I461 | E457-V459 VanDerWaalsContact C-N 3.3Å; E457-K460 PolarHBondContact O-N 3.38Å; E457-I461 WeakPolarHBondContact O-CB 3.18Å; E457-I461 VanDerWaalsContact O-CD1 3.23Å; E457-I461 WeakPolarHBondContact O-CD1 3.48Å; E457-I461 WeakPolarHBondContact O-CG1 3.14Å; E457-I461 PolarHBondContact O-N 3Å; E457-I461 VanDerWaalsContact O-N 3.1Å |
| 458 | A | 37.9 | Very low | 33.6 | Very low | 54 Ų | 54 | 125.8 Ų | 125.8 | 45% | 0.446 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -85 | -18.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111 | L462 | A458-L462 WeakPolarHBondContact O-CD1 3.23Å |
| 459 | V | 36.4 | Very low | 33.8 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 41% | 0.406 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -97.3 | 0 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | E455 E457 L462 M463 | E455-V459 WeakPolarHBondContact O-CB 3.26Å; E455-V459 WeakPolarHBondContact O-CG2 2.83Å; E455-V459 PolarHBondContact O-N 3.48Å; E457-V459 VanDerWaalsContact C-N 3.3Å; V459-L462 PolarHBondContact O-N 3.4Å; V459-M463 HydrophobicContact CG1-CG 4.22Å; V459-M463 HydrophobicContact CG1-SD 4.3Å; V459-M463 VanDerWaalsContact O-CB 3.23Å; V459-M463 WeakPolarHBondContact O-CB 3.36Å; V459-M463 WeakPolarHBondContact O-CG 3.17Å; V459-M463 PolarHBondContact O-N 3.03Å |
| 460 | K | 37.5 | Very low | 34 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 59% | 0.587 | 65% | 0.646 | S | S | * | * | H | α-helix | 0 | -18.2 | 0 | -100.2 | -178.2 | -177.1 | -178.3 | 0 | 110.6 | D456 E457 N464 | D456-K460 WeakPolarHBondContact O-CB 3.27Å; D456-K460 WeakPolarHBondContact O-CG 3.19Å; D456-K460 PolarHBondContact O-N 3.21Å; E457-K460 PolarHBondContact O-N 3.38Å; K460-N464 PolarHBondContact O-ND2 3.32Å | |
| 461 | I | 38.8 | Very low | 34 | Very low | 115 Ų | 115 | 122.4 Ų | 122.4 | 59% | 0.59 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -93.6 | -14.1 | 177.5 | -68.2 | 173.4 | 0 | 0 | 0 | 109.1 | E457 | E457-I461 WeakPolarHBondContact O-CB 3.18Å; E457-I461 VanDerWaalsContact O-CD1 3.23Å; E457-I461 WeakPolarHBondContact O-CD1 3.48Å; E457-I461 WeakPolarHBondContact O-CG1 3.14Å; E457-I461 PolarHBondContact O-N 3Å; E457-I461 VanDerWaalsContact O-N 3.1Å |
| 462 | L | 34.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 130 Ų | 130 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -102.2 | -7.6 | 179.6 | -96.9 | 149.3 | 0 | 0 | 0 | 110.4 | A458 V459 | A458-L462 WeakPolarHBondContact O-CD1 3.23Å; V459-L462 PolarHBondContact O-N 3.4Å |
| 463 | M | 34.4 | Very low | 34.2 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 77% | 0.768 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -111.5 | 4.2 | -177.2 | -80.3 | -151.7 | 136.6 | 0 | 0 | 109.6 | V459 | V459-M463 HydrophobicContact CG1-CG 4.22Å; V459-M463 HydrophobicContact CG1-SD 4.3Å; V459-M463 VanDerWaalsContact O-CB 3.23Å; V459-M463 WeakPolarHBondContact O-CB 3.36Å; V459-M463 WeakPolarHBondContact O-CG 3.17Å; V459-M463 PolarHBondContact O-N 3.03Å |
| 464 | N | 36.4 | Very low | 33.9 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 74% | 0.738 | 70% | 0.697 | S | S | * | * | trans | -112.4 | 31.2 | 174.8 | -88.8 | -16.5 | 0 | 0 | 0 | 110.2 | K460 | K460-N464 PolarHBondContact O-ND2 3.32Š| ||
| 465 | K | 34.9 | Very low | 33.5 | Very low | 183 Ų | 183 | 144.7 Ų | 144.7 | 80% | 0.796 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -119.6 | 0 | 166 | -94 | -173.3 | -179.6 | -178.7 | 0 | 109.5 | ||
| 466 | H | 27.5 | Very low | 33 | Very low | 176 Ų | 176 | 147.8 Ų | 147.8 | 82% | 0.815 | 72% | 0.721 | S | S | * | * | 0 | 86.4 | 0 | -107.7 | -63.5 | 0 | 0 | 0 | 111.6 | |||||
| 467 | I | 30.1 | Very low | 33 | Very low | 155 Ų | 155 | 152.8 Ų | 152.8 | 80% | 0.795 | 75% | 0.746 | S | S | * | * | trans | -122 | 90.1 | 153.5 | -63.8 | 174.8 | 0 | 0 | 0 | 108.2 | ||||
| 468 | Q | 27.3 | Very low | 32.9 | Very low | 170 Ų | 170 | 153.5 Ų | 153.5 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | trans | -13.4 | 90.6 | 143.1 | -91.6 | -172.2 | 4.5 | 0 | 0 | 111.6 | ||||
| 469 | V | 29.3 | Very low | 32.7 | Very low | 119 Ų | 119 | 155.9 Ų | 155.9 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | trans | -111.2 | 97.1 | 161.8 | 178.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 470 | K | 29.5 | Very low | 32.7 | Very low | 204 Ų | 204 | 163.2 Ų | 163.2 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -42.6 | 100.5 | 154 | -86.6 | -172.1 | -179 | 179.8 | 0 | 111.6 | ||||
| 471 | T | 27.7 | Very low | 32.8 | Very low | 128 Ų | 128 | 166.3 Ų | 166.3 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -107.2 | 114 | 156.8 | 34.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 472 | K | 32.2 | Very low | 32.8 | Very low | 203 Ų | 203 | 173.8 Ų | 173.8 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | trans | -132.6 | 114.6 | 151.6 | -101.2 | -175.4 | -178.9 | 178.4 | 0 | 109.7 | ||||
| 473 | K | 32.3 | Very low | 32.7 | Very low | 201 Ų | 201 | 175.4 Ų | 175.4 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | 76.8 | 107.9 | 99.2 | -104.9 | -175.4 | -179.2 | 179.4 | 0 | 110.5 | |||||
| 474 | H | 29.8 | Very low | 32.6 | Very low | 195 Ų | 195 | 176.4 Ų | 176.4 | 90% | 0.903 | 84% | 0.84 | S | S | * | * | trans | -25.2 | 103.1 | 137.8 | -97 | -25.6 | 0 | 0 | 0 | 112 | ||||
| 475 | E | 32.4 | Very low | 32.4 | Very low | 191 Ų | 191 | 178.5 Ų | 178.5 | 89% | 0.893 | 85% | 0.846 | S | S | * | * | trans | -143.4 | 0 | 147.2 | -118.7 | 177.6 | 178.4 | 0 | 0 | 109.7 | ||||
| 476 | K | 30.2 | Very low | 32.3 | Very low | 195 Ų | 195 | 178.2 Ų | 178.2 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | 0 | 115.3 | 0 | -98.3 | -176 | -177.5 | 179.2 | 0 | 111.1 | |||||
| 477 | I | 37.3 | Very low | 32.5 | Very low | 161 Ų | 161 | 178.4 Ų | 178.4 | 83% | 0.826 | 85% | 0.851 | S | S | * | * | 154.3 | 0 | 125.7 | -65.3 | 172.9 | 0 | 0 | 0 | 108 | |||||
| 478 | D | 34.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 179.9 Ų | 179.9 | 73% | 0.727 | 86% | 0.855 | S | S | * | * | 0 | 123.9 | 0 | -116 | -11.6 | 0 | 0 | 0 | 110.6 | |||||
| 479 | T | 34.8 | Very low | 33.1 | Very low | 104 Ų | 104 | 180.6 Ų | 180.6 | 64% | 0.638 | 86% | 0.859 | S | S | * | * | 123.1 | 109.5 | 109.6 | 35.2 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 480 | R | 36 | Very low | 33.4 | Very low | 220 Ų | 220 | 185.4 Ų | 185.4 | 83% | 0.83 | 87% | 0.869 | S | S | * | * | 120.1 | 106.3 | 115.2 | -92.2 | -173.6 | -173.7 | 179.8 | -0.7 | 109.6 | |||||
| 481 | K | 38.3 | Very low | 33.7 | Very low | 201 Ų | 201 | 183.8 Ų | 183.8 | 87% | 0.874 | 87% | 0.868 | S | S | * | * | 72 | 103.3 | 107.9 | -91.3 | -172.2 | -179.6 | 179.8 | 0 | 110.4 | |||||
| 482 | M | 39.2 | Very low | 34.3 | Very low | 271 Ų | 271 | 188.9 Ų | 188.9 | 100% | 1.335 | 88% | 0.875 | S | S | * | * | trans | 153.1 | 0 | 131.4 | -92.3 | -169.8 | 161.8 | 0 | 0 | 109 |
Retrieved 482 of 482 residues in 771 ms
(Link to these results)