| 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 | 32.6 | Very low | 40.4 | Very low | 235 Ų | 235 | 124.8 Ų | 124.8 | 100% | 1.158 | 66% | 0.664 | S | S | * | * | 0 | 105.8 | 0 | -91.2 | 160.9 | 158.6 | 0 | 0 | 105.2 | D3 | M1-D3 PolarHBondContact O-N 3.17Š| |||
| 2 | V | 35.1 | Very low | 41 | Very low | 135 Ų | 135 | 115 Ų | 115 | 82% | 0.818 | 61% | 0.611 | S | S | * | * | trans | -65.3 | 127.7 | 164.2 | 176.1 | 0 | 0 | 0 | 0 | 104.1 | E4 | V2-E4 VanDerWaalsContact C-N 3.27Å; V2-E4 PolarHBondContact O-N 3.03Å | ||
| 3 | D | 33.8 | Very low | 41.1 | Very low | 141 Ų | 141 | 108.3 Ų | 108.3 | 75% | 0.754 | 58% | 0.578 | S | S | * | * | trans | -56 | 94.1 | 177.5 | -64.8 | -54.4 | 0 | 0 | 0 | 108.5 | M1 D5 | M1-D3 PolarHBondContact O-N 3.17Å; D3-D5 PolarHBondContact O-N 2.93Å | ||
| 4 | E | 36 | Very low | 41.8 | Very low | 176 Ų | 176 | 108 Ų | 108 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.7 | 125.4 | 162.7 | -78.2 | 176.3 | 157.3 | 0 | 0 | 105.7 | V2 | V2-E4 VanDerWaalsContact C-N 3.27Å; V2-E4 PolarHBondContact O-N 3.03Å |
| 5 | D | 37.5 | Very low | 42.3 | Very low | 134 Ų | 134 | 109 Ų | 109 | 72% | 0.717 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.2 | 47.2 | 178.7 | -47 | -27 | 0 | 0 | 0 | 116.1 | D3 D7 | D3-D5 PolarHBondContact O-N 2.93Å; D5-D7 PolarHBondContact O-N 3.29Å |
| 6 | S | 37.2 | Very low | 43.2 | Very low | 107 Ų | 107 | 104 Ų | 104 | 75% | 0.748 | 58% | 0.575 | S | S | * | * | trans | -64.5 | 74 | 135.4 | 69 | 0 | 0 | 0 | 0 | 107.6 | D8 | S6-D8 VanDerWaalsContact C-N 3.27Å; S6-D8 PolarHBondContact O-N 3.36Å | ||
| 7 | D | 38.3 | Very low | 44.4 | Very low | 82 Ų | 82 | 102.1 Ų | 102.1 | 44% | 0.439 | 57% | 0.568 | S | S | . | * | trans | -51.7 | 103.7 | 164.4 | -89.4 | -27.5 | 0 | 0 | 0 | 105.2 | D5 Y9 | D5-D7 PolarHBondContact O-N 3.29Å; D7-Y9 VanDerWaalsContact C-N 3.3Å; D7-Y9 PolarHBondContact O-N 2.88Å | ||
| 8 | D | 44.4 | Very low | 45.7 | Very low | 111 Ų | 111 | 101.3 Ų | 101.3 | 59% | 0.594 | 56% | 0.563 | S | S | * | * | trans | -56.8 | 101.7 | 175.5 | -165 | 1.5 | 0 | 0 | 0 | 105.1 | S6 E10 S11 | S6-D8 VanDerWaalsContact C-N 3.27Å; S6-D8 PolarHBondContact O-N 3.36Å; D8-E10 PolarHBondContact O-N 2.97Å; D8-S11 WeakPolarHBondContact O-CA 3.29Å; D8-S11 WeakPolarHBondContact O-CB 3.13Å; D8-S11 PolarHBondContact O-N 3.42Å; D8-S11 PolarHBondContact O-OG 3.47Å | ||
| 9 | Y | 52.5 | Low | 46.8 | Very low | 85 Ų | 85 | 100.5 Ų | 100.5 | 33% | 0.333 | 56% | 0.563 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.8 | -21.5 | -163.6 | 158.9 | -83.3 | 0 | 0 | 0 | 112.3 | D7 S11 Y203 E299 | D7-Y9 VanDerWaalsContact C-N 3.3Å; D7-Y9 PolarHBondContact O-N 2.88Å; Y9-S11 PolarHBondContact O-N 2.67Å; Y9-Y203 AromaticContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CE2 4.02Å; Y9-Y203 HydrophobicContact CD2-CD2 4.4Å; Y9-Y203 HydrophobicContact CD2-CE2 4.48Å; Y9-Y203 AromaticContact CE1-CD2 3.36Å; Y9-Y203 HydrophobicContact CE1-CD2 3.36Å; Y9-Y203 AromaticContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE2-CD2 4.03Å; Y9-Y203 AromaticContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CG-CD2 4.29Å; Y9-Y203 AromaticContact CZ-CD2 3.55Å; Y9-Y203 AromaticContact CZ-CE2 2.97Å; Y9-Y203 AromaticContact CZ-CZ 3.59Å; Y9-Y203 WeakPolarHBondContact OH-CE2 3.35Å; Y9-Y203 VanDerWaalsContact OH-CZ 3.3Å; Y9-Y203 PolarHBondContact OH-OH 2.62Å; Y9-E299 PolarHBondContact OH-OE1 3.1Å; Y9-E299 VanDerWaalsContact OH-OE1 3.1Å; Y9-E299 PolarHBondContact OH-OE2 3.38Å |
| 10 | E | 48 | Very low | 48 | Very low | 108 Ų | 108 | 99 Ų | 99 | 51% | 0.505 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -22.9 | 169.5 | -64.3 | -166.1 | 166.9 | 0 | 0 | 112.1 | D8 Y190 H208 Y298 | D8-E10 PolarHBondContact O-N 2.97Å; E10-Y190 PolarHBondContact OE1-OH 3.31Å; E10-H208 IonicContact OE1-CE1 2.63Å; E10-Y298 PolarHBondContact O-OH 2.99Å |
| 11 | S | 49.5 | Very low | 49 | Very low | 59 Ų | 59 | 96.4 Ų | 96.4 | 41% | 0.413 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -100.9 | 141.1 | 173.1 | 74.1 | 0 | 0 | 0 | 0 | 112.3 | D8 Y9 | D8-S11 WeakPolarHBondContact O-CA 3.29Å; D8-S11 WeakPolarHBondContact O-CB 3.13Å; D8-S11 PolarHBondContact O-N 3.42Å; D8-S11 PolarHBondContact O-OG 3.47Å; Y9-S11 PolarHBondContact O-N 2.67Å |
| 12 | L | 46.7 | Very low | 50.8 | Low | 7 Ų | 7 | 87.4 Ų | 87.4 | 4% | 0.037 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 150.4 | 161.9 | -91 | 165.9 | 0 | 0 | 0 | 108.9 | S14 H21 K302 K306 | L12-S14 PolarHBondContact O-N 3.21Å; L12-H21 WeakPolarHBondContact CB-CE1 3.15Å; L12-H21 VanDerWaalsContact CB-ND1 3.35Å; L12-H21 WeakPolarHBondContact CB-ND1 3.45Å; L12-H21 HydrophobicContact CD1-CB 4.41Å; L12-K302 HydrophobicContact CD2-CB 3.9Å; L12-K302 HydrophobicContact CD2-CD 3.54Å; L12-K302 HydrophobicContact CD2-CG 3.39Å; L12-K302 HydrophobicContact CG-CB 4.28Å; L12-K302 HydrophobicContact CG-CD 3.86Å; L12-K302 HydrophobicContact CG-CG 4.09Å; L12-K306 HydrophobicContact CD2-CG 4.31Å |
| 13 | P | 42.6 | Very low | 52.6 | Low | 28 Ų | 28 | 87.2 Ų | 87.2 | 18% | 0.182 | 48% | 0.479 | C | S | . | . | P | Polyproline II helix | trans | -51 | 136.7 | -177.9 | -23.1 | 31.4 | 0 | 0 | 0 | 111.4 | T15 S16 | P13-T15 PolarHBondContact O-N 3.21Å; P13-S16 PolarHBondContact O-N 3.1Å |
| 14 | S | 51.4 | Low | 54.5 | Low | 104 Ų | 104 | 80.6 Ų | 80.6 | 73% | 0.727 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -16.1 | 179.7 | 60.6 | 0 | 0 | 0 | 0 | 114.1 | L12 | L12-S14 PolarHBondContact O-N 3.21Š|
| 15 | T | 49.8 | Very low | 56.4 | Low | 123 Ų | 123 | 73.6 Ų | 73.6 | 76% | 0.755 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -17.6 | 176.7 | 56.2 | 0 | 0 | 0 | 0 | 114.5 | P13 | P13-T15 PolarHBondContact O-N 3.21Š|
| 16 | S | 56.3 | Low | 58.3 | Low | 29 Ų | 29 | 68.2 Ų | 68.2 | 20% | 0.203 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -79.1 | 128.3 | 176.6 | -67.3 | 0 | 0 | 0 | 0 | 109.9 | P13 L18 H21 | P13-S16 PolarHBondContact O-N 3.1Å; S16-L18 PolarHBondContact O-N 3.07Å; S16-H21 WeakPolarHBondContact CB-NE2 3.44Å; S16-H21 PolarHBondContact O-NE2 3.36Å; S16-H21 VanDerWaalsContact O-NE2 3.17Å |
| 17 | P | 63.1 | Low | 60.3 | Low | 71 Ų | 71 | 64.5 Ų | 64.5 | 46% | 0.461 | 37% | 0.366 | S | S | . | . | trans | -62.6 | 130.6 | -177.6 | 21.5 | -30.5 | 0 | 0 | 0 | 110.2 | P19 Q20 | P17-P19 WeakPolarHBondContact O-CD 3.44Å; P17-Q20 HydrophobicContact CG-CG 3.96Å; P17-Q20 WeakPolarHBondContact O-CB 3.01Å; P17-Q20 PolarHBondContact O-N 3.27Å | ||
| 18 | L | 67.5 | Low | 62.2 | Low | 89 Ų | 89 | 60.9 Ų | 60.9 | 47% | 0.466 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -39.5 | -41.5 | -179.1 | -178.8 | 70.6 | 0 | 0 | 0 | 114.8 | S16 Q20 H21 M22 E99 | S16-L18 PolarHBondContact O-N 3.07Å; L18-Q20 VanDerWaalsContact C-N 3.28Å; L18-Q20 PolarHBondContact O-N 3.4Å; L18-H21 WeakPolarHBondContact O-CB 3.48Å; L18-H21 PolarHBondContact O-N 3.02Å; L18-M22 HydrophobicContact CD1-SD 4.49Å; L18-M22 HydrophobicContact CD2-SD 4.27Å; L18-M22 HydrophobicContact CG-CG 4.43Å; L18-M22 HydrophobicContact CG-SD 3.8Å; L18-M22 VanDerWaalsContact O-CG 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.42Å; L18-M22 PolarHBondContact O-N 3.22Å; L18-E99 HydrophobicContact CD2-CG 4.46Å |
| 19 | P | 66.2 | Low | 63.9 | Low | 86 Ų | 86 | 56.3 Ų | 56.3 | 56% | 0.558 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -57.4 | -32.7 | 175.2 | -27.3 | 36.3 | 0 | 0 | 0 | 115.3 | P17 M22 F23 | P17-P19 WeakPolarHBondContact O-CD 3.44Å; P19-M22 PolarHBondContact O-N 2.93Å; P19-F23 WeakPolarHBondContact O-CB 3.34Å; P19-F23 PolarHBondContact O-N 3.18Å |
| 20 | Q | 71.4 | Confident | 65.3 | Low | 69 Ų | 69 | 54.2 Ų | 54.2 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.6 | -42.8 | 178 | -71.9 | -179.5 | -5.3 | 0 | 0 | 111.3 | P17 L18 M22 F23 A24 L305 | P17-Q20 HydrophobicContact CG-CG 3.96Å; P17-Q20 WeakPolarHBondContact O-CB 3.01Å; P17-Q20 PolarHBondContact O-N 3.27Å; L18-Q20 VanDerWaalsContact C-N 3.28Å; L18-Q20 PolarHBondContact O-N 3.4Å; Q20-M22 VanDerWaalsContact C-N 3.26Å; Q20-M22 PolarHBondContact O-N 2.9Å; Q20-F23 PolarHBondContact O-N 3.48Å; Q20-A24 WeakPolarHBondContact O-CB 3.29Å; Q20-A24 PolarHBondContact O-N 3.04Å; Q20-L305 HydrophobicContact CB-CD1 4.17Å; Q20-L305 VanDerWaalsContact O-CD1 3.25Å; Q20-L305 WeakPolarHBondContact O-CD1 3.44Å |
| 21 | H | 68.7 | Low | 67.1 | Low | 46 Ų | 46 | 53.1 Ų | 53.1 | 21% | 0.213 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 172.9 | -65.4 | -124.1 | 0 | 0 | 0 | 110.7 | L12 S16 L18 G25 | L12-H21 WeakPolarHBondContact CB-CE1 3.15Å; L12-H21 VanDerWaalsContact CB-ND1 3.35Å; L12-H21 WeakPolarHBondContact CB-ND1 3.45Å; L12-H21 HydrophobicContact CD1-CB 4.41Å; S16-H21 WeakPolarHBondContact CB-NE2 3.44Å; S16-H21 PolarHBondContact O-NE2 3.36Å; S16-H21 VanDerWaalsContact O-NE2 3.17Å; L18-H21 WeakPolarHBondContact O-CB 3.48Å; L18-H21 PolarHBondContact O-N 3.02Å; H21-G25 PolarHBondContact O-N 3.46Å |
| 22 | M | 70.6 | Confident | 68.8 | Low | 46 Ų | 46 | 52.6 Ų | 52.6 | 23% | 0.227 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.2 | -44 | 179.5 | -67.6 | 168.6 | 42.6 | 0 | 0 | 111.8 | L18 P19 Q20 G25 A26 F95 | L18-M22 HydrophobicContact CD1-SD 4.49Å; L18-M22 HydrophobicContact CD2-SD 4.27Å; L18-M22 HydrophobicContact CG-CG 4.43Å; L18-M22 HydrophobicContact CG-SD 3.8Å; L18-M22 VanDerWaalsContact O-CG 3.24Å; L18-M22 WeakPolarHBondContact O-CG 3.42Å; L18-M22 PolarHBondContact O-N 3.22Å; P19-M22 PolarHBondContact O-N 2.93Å; Q20-M22 VanDerWaalsContact C-N 3.26Å; Q20-M22 PolarHBondContact O-N 2.9Å; M22-G25 PolarHBondContact O-N 3.43Å; M22-A26 WeakPolarHBondContact O-CB 3.14Å; M22-A26 PolarHBondContact O-N 3.25Å; M22-F95 HydrophobicContact CB-CD2 4.24Å; M22-F95 HydrophobicContact CB-CE2 3.93Å; M22-F95 HydrophobicContact CB-CZ 4.11Å; M22-F95 HydrophobicContact CE-CB 3.31Å; M22-F95 HydrophobicContact CE-CD1 4.01Å; M22-F95 HydrophobicContact CE-CD2 3.39Å; M22-F95 HydrophobicContact CE-CE2 4.16Å; M22-F95 HydrophobicContact CE-CG 3.3Å; M22-F95 HydrophobicContact CG-CD1 3.78Å; M22-F95 HydrophobicContact CG-CD2 3.98Å; M22-F95 HydrophobicContact CG-CE1 3.65Å; M22-F95 HydrophobicContact CG-CE2 3.85Å; M22-F95 HydrophobicContact CG-CG 3.96Å; M22-F95 HydrophobicContact CG-CZ 3.69Å; M22-F95 HydrophobicContact SD-CB 4.01Å; M22-F95 HydrophobicContact SD-CD1 3.81Å; M22-F95 HydrophobicContact SD-CD2 4.17Å; M22-F95 HydrophobicContact SD-CE1 4.31Å; M22-F95 HydrophobicContact SD-CG 3.75Å |
| 23 | F | 73.8 | Confident | 70.6 | Confident | 131 Ų | 131 | 55 Ų | 55 | 58% | 0.575 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.7 | -45.4 | 178.2 | -175.5 | -102.8 | 0 | 0 | 0 | 111.8 | P19 Q20 G25 A26 C27 | P19-F23 WeakPolarHBondContact O-CB 3.34Å; P19-F23 PolarHBondContact O-N 3.18Å; Q20-F23 PolarHBondContact O-N 3.48Å; F23-G25 PolarHBondContact O-N 3.05Å; F23-A26 PolarHBondContact O-N 3.29Å; F23-C27 VanDerWaalsContact CZ-SG 3.59Å; F23-C27 WeakPolarHBondContact O-CB 3.23Å; F23-C27 PolarHBondContact O-N 3.01Å; F23-C27 PolarHBondContact O-SG 2.98Å; F23-C27 VanDerWaalsContact O-SG 3.37Å |
| 24 | A | 73.6 | Confident | 72.7 | Confident | 2 Ų | 2 | 56.2 Ų | 56.2 | 2% | 0.017 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q20 A26 C27 A28 F301 L305 | Q20-A24 WeakPolarHBondContact O-CB 3.29Å; Q20-A24 PolarHBondContact O-N 3.04Å; A24-A26 PolarHBondContact O-N 2.88Å; A24-C27 PolarHBondContact O-N 2.92Å; A24-A28 VanDerWaalsContact O-CB 3.24Å; A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 2.99Å; A24-F301 HydrophobicContact CB-CB 3.64Å; A24-F301 HydrophobicContact CB-CG 4.41Å; A24-L305 HydrophobicContact CB-CD1 3.43Å; A24-L305 VanDerWaalsContact CB-CD1 3.43Å |
| 25 | G | 75.1 | Confident | 74.4 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | H21 M22 F23 A28 G29 | H21-G25 PolarHBondContact O-N 3.46Å; M22-G25 PolarHBondContact O-N 3.43Å; F23-G25 PolarHBondContact O-N 3.05Å; G25-A28 WeakPolarHBondContact O-CB 3.47Å; G25-A28 PolarHBondContact O-N 3.29Å; G25-G29 PolarHBondContact O-N 2.93Å |
| 26 | A | 77 | Confident | 76.3 | Confident | 20 Ų | 20 | 50.3 Ų | 50.3 | 17% | 0.165 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.9 | -45.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | M22 F23 A24 A28 G29 I30 | M22-A26 WeakPolarHBondContact O-CB 3.14Å; M22-A26 PolarHBondContact O-N 3.25Å; F23-A26 PolarHBondContact O-N 3.29Å; A24-A26 PolarHBondContact O-N 2.88Å; A26-A28 VanDerWaalsContact C-N 3.26Å; A26-A28 PolarHBondContact O-N 3.41Å; A26-G29 PolarHBondContact O-N 3.24Å; A26-I30 WeakPolarHBondContact O-CB 3.42Å; A26-I30 VanDerWaalsContact O-CG1 3.26Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 2.83Å |
| 27 | C | 79.5 | Confident | 77.9 | Confident | 30 Ų | 30 | 49 Ų | 49 | 20% | 0.203 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62.4 | -36.7 | 174.1 | -69.8 | 0 | 0 | 0 | 0 | 111.7 | F23 A24 I30 M31 F301 | F23-C27 VanDerWaalsContact CZ-SG 3.59Å; F23-C27 WeakPolarHBondContact O-CB 3.23Å; F23-C27 PolarHBondContact O-N 3.01Å; F23-C27 PolarHBondContact O-SG 2.98Å; F23-C27 VanDerWaalsContact O-SG 3.37Å; A24-C27 PolarHBondContact O-N 2.92Å; C27-I30 PolarHBondContact O-N 2.76Å; C27-M31 WeakPolarHBondContact O-CB 3.37Å; C27-M31 PolarHBondContact O-N 3.24Å; C27-F301 HydrophobicContact CB-CD1 4.19Å; C27-F301 HydrophobicContact CB-CD2 4.25Å; C27-F301 HydrophobicContact CB-CE1 3.63Å; C27-F301 HydrophobicContact CB-CE2 3.7Å; C27-F301 HydrophobicContact CB-CG 4.5Å; C27-F301 HydrophobicContact CB-CZ 3.38Å |
| 28 | A | 79.3 | Confident | 79.3 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 5% | 0.05 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.3 | -49.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A24 G25 A26 I30 M31 E32 V297 F301 | A24-A28 VanDerWaalsContact O-CB 3.24Å; A24-A28 WeakPolarHBondContact O-CB 3.31Å; A24-A28 PolarHBondContact O-N 2.99Å; G25-A28 WeakPolarHBondContact O-CB 3.47Å; G25-A28 PolarHBondContact O-N 3.29Å; A26-A28 VanDerWaalsContact C-N 3.26Å; A26-A28 PolarHBondContact O-N 3.41Å; A28-I30 VanDerWaalsContact C-N 3.34Å; A28-I30 PolarHBondContact O-N 2.97Å; A28-M31 PolarHBondContact O-N 3.29Å; A28-E32 WeakPolarHBondContact O-CB 3.43Å; A28-E32 PolarHBondContact O-N 2.87Å; A28-V297 HydrophobicContact CB-CB 4.31Å; A28-V297 HydrophobicContact CB-CG1 3.55Å; A28-F301 HydrophobicContact CB-CD2 4.05Å; A28-F301 HydrophobicContact CB-CE2 4.45Å |
| 29 | G | 79.5 | Confident | 80.4 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.3 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G25 A26 E32 H33 | G25-G29 PolarHBondContact O-N 2.93Å; A26-G29 PolarHBondContact O-N 3.24Å; G29-E32 PolarHBondContact O-N 3.47Å; G29-H33 WeakPolarHBondContact O-CB 3.4Å; G29-H33 PolarHBondContact O-CD2 3.24Å; G29-H33 PolarHBondContact O-N 3.4Å |
| 30 | I | 82.6 | Confident | 81.6 | Confident | 40 Ų | 40 | 40.4 Ų | 40.4 | 21% | 0.205 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 175.2 | -70.7 | 166 | 0 | 0 | 0 | 110.9 | A26 C27 A28 H33 I34 I84 A87 | A26-I30 WeakPolarHBondContact O-CB 3.42Å; A26-I30 VanDerWaalsContact O-CG1 3.26Å; A26-I30 WeakPolarHBondContact O-CG1 3.4Å; A26-I30 PolarHBondContact O-N 2.83Å; C27-I30 PolarHBondContact O-N 2.76Å; A28-I30 VanDerWaalsContact C-N 3.34Å; A28-I30 PolarHBondContact O-N 2.97Å; I30-H33 PolarHBondContact O-N 3.3Å; I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 VanDerWaalsContact O-CG1 3.31Å; I30-I34 WeakPolarHBondContact O-CG1 3.18Å; I30-I34 PolarHBondContact O-N 3.27Å; I30-I84 HydrophobicContact CG2-CG1 3.93Å; I30-A87 HydrophobicContact CG1-CB 4.21Å |
| 31 | M | 84.9 | Confident | 82.6 | Confident | 86 Ų | 86 | 37.2 Ų | 37.2 | 42% | 0.424 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 179.2 | -176 | 64.2 | 73.4 | 0 | 0 | 111.3 | C27 A28 H33 I34 V35 V297 | C27-M31 WeakPolarHBondContact O-CB 3.37Å; C27-M31 PolarHBondContact O-N 3.24Å; A28-M31 PolarHBondContact O-N 3.29Å; M31-H33 VanDerWaalsContact C-N 3.31Å; M31-H33 PolarHBondContact O-N 2.73Å; M31-I34 PolarHBondContact O-N 3.24Å; M31-V35 WeakPolarHBondContact O-CG2 3.02Å; M31-V35 PolarHBondContact O-N 3.41Å; M31-V35 HydrophobicContact SD-CG2 4.36Å; M31-V297 HydrophobicContact CB-CG1 4.06Å; M31-V297 HydrophobicContact CG-CG1 4.31Å; M31-V297 HydrophobicContact CG-CG2 4.19Å |
| 32 | E | 84.6 | Confident | 83.7 | Confident | 47 Ų | 47 | 35 Ų | 35 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -54.7 | -49.4 | 175.5 | -171.3 | -165.2 | 140.4 | 0 | 0 | 110.8 | A28 G29 I34 V35 M36 L293 S294 | A28-E32 WeakPolarHBondContact O-CB 3.43Å; A28-E32 PolarHBondContact O-N 2.87Å; G29-E32 PolarHBondContact O-N 3.47Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.3Å; E32-V35 PolarHBondContact O-N 2.97Å; E32-M36 HydrophobicContact CG-CG 4.46Å; E32-M36 VanDerWaalsContact O-CB 3.31Å; E32-M36 WeakPolarHBondContact O-CB 3.36Å; E32-M36 WeakPolarHBondContact O-CG 3.14Å; E32-M36 PolarHBondContact O-N 3.34Å; E32-L293 HydrophobicContact CB-CD2 4.32Å; E32-L293 HydrophobicContact CG-CD2 3.85Å; E32-L293 HydrophobicContact CG-CG 4.27Å; E32-S294 VanDerWaalsContact OE2-CB 3.24Å; E32-S294 WeakPolarHBondContact OE2-CB 3.24Å; E32-S294 PolarHBondContact OE2-OG 3.44Å |
| 33 | H | 85 | Confident | 84.7 | Confident | 57 Ų | 57 | 34.7 Ų | 34.7 | 26% | 0.264 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -64.3 | -34.4 | 179.2 | -78.5 | -48.7 | 0 | 0 | 0 | 114.1 | G29 I30 M31 Y37 V83 | G29-H33 WeakPolarHBondContact O-CB 3.4Å; G29-H33 PolarHBondContact O-CD2 3.24Å; G29-H33 PolarHBondContact O-N 3.4Å; I30-H33 PolarHBondContact O-N 3.3Å; M31-H33 VanDerWaalsContact C-N 3.31Å; M31-H33 PolarHBondContact O-N 2.73Å; H33-Y37 VanDerWaalsContact O-CB 3.32Å; H33-Y37 WeakPolarHBondContact O-CB 3.34Å; H33-Y37 PolarHBondContact O-N 3.27Å; H33-Y37 VanDerWaalsContact O-N 3.11Å; H33-V83 HydrophobicContact CB-CB 4.49Å; H33-V83 HydrophobicContact CB-CG1 3.58Å; H33-V83 VanDerWaalsContact CD2-CG1 3.46Å; H33-V83 WeakPolarHBondContact CD2-CG1 3.38Å |
| 34 | I | 87.4 | Confident | 85.6 | Confident | 55 Ų | 55 | 28.5 Ų | 28.5 | 28% | 0.282 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67.4 | -47.7 | 176.7 | -69.7 | 165.7 | 0 | 0 | 0 | 110 | I30 M31 E32 Y37 I84 | I30-I34 HydrophobicContact CG2-CD1 3.84Å; I30-I34 VanDerWaalsContact O-CG1 3.31Å; I30-I34 WeakPolarHBondContact O-CG1 3.18Å; I30-I34 PolarHBondContact O-N 3.27Å; M31-I34 PolarHBondContact O-N 3.24Å; E32-I34 VanDerWaalsContact C-N 3.35Å; E32-I34 PolarHBondContact O-N 3.3Å; I34-Y37 VanDerWaalsContact O-CB 3.24Å; I34-Y37 WeakPolarHBondContact O-CB 3.35Å; I34-Y37 PolarHBondContact O-N 3.47Å; I34-I84 HydrophobicContact CD1-CD1 4.06Å; I34-I84 HydrophobicContact CD1-CG1 4.43Å; I34-I84 HydrophobicContact CG1-CD1 4.43Å |
| 35 | V | 87.7 | Confident | 86.4 | Confident | 76 Ų | 76 | 28.8 Ų | 28.8 | 46% | 0.461 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -67.5 | -40.2 | -178.6 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | M31 E32 Y37 P38 L293 | M31-V35 WeakPolarHBondContact O-CG2 3.02Å; M31-V35 PolarHBondContact O-N 3.41Å; M31-V35 HydrophobicContact SD-CG2 4.36Å; E32-V35 PolarHBondContact O-N 2.97Å; V35-Y37 PolarHBondContact O-N 3Å; V35-P38 WeakPolarHBondContact O-CD 3.46Å; V35-L293 HydrophobicContact CB-CD1 4.49Å; V35-L293 HydrophobicContact CB-CD2 3.76Å; V35-L293 HydrophobicContact CG1-CD1 4.16Å; V35-L293 HydrophobicContact CG1-CD2 3.64Å |
| 36 | M | 89.4 | Confident | 87.1 | Confident | 27 Ų | 27 | 28.3 Ų | 28.3 | 13% | 0.133 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -0.6 | 178.2 | -67 | -60.5 | -70.4 | 0 | 0 | 113.7 | E32 V39 D40 T286 L293 | E32-M36 HydrophobicContact CG-CG 4.46Å; E32-M36 VanDerWaalsContact O-CB 3.31Å; E32-M36 WeakPolarHBondContact O-CB 3.36Å; E32-M36 WeakPolarHBondContact O-CG 3.14Å; E32-M36 PolarHBondContact O-N 3.34Å; M36-V39 HydrophobicContact CE-CB 4.28Å; M36-V39 HydrophobicContact CE-CG1 3.94Å; M36-V39 HydrophobicContact CE-CG2 4.44Å; M36-V39 WeakPolarHBondContact O-CB 3.44Å; M36-V39 PolarHBondContact O-N 3.41Å; M36-D40 PolarHBondContact O-N 2.96Å; M36-T286 HydrophobicContact CE-CG2 4Å; M36-L293 HydrophobicContact CG-CD2 3.77Å; M36-L293 HydrophobicContact SD-CD2 4.28Å |
| 37 | Y | 90.2 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -44 | -174.5 | -161.9 | -88.2 | 0 | 0 | 0 | 114.5 | H33 I34 V35 V39 D40 C41 S76 L77 K78 G79 V83 K139 Q143 | H33-Y37 VanDerWaalsContact O-CB 3.32Å; H33-Y37 WeakPolarHBondContact O-CB 3.34Å; H33-Y37 PolarHBondContact O-N 3.27Å; H33-Y37 VanDerWaalsContact O-N 3.11Å; I34-Y37 VanDerWaalsContact O-CB 3.24Å; I34-Y37 WeakPolarHBondContact O-CB 3.35Å; I34-Y37 PolarHBondContact O-N 3.47Å; V35-Y37 PolarHBondContact O-N 3Å; Y37-V39 VanDerWaalsContact C-N 3.27Å; Y37-V39 PolarHBondContact O-N 3.33Å; Y37-D40 WeakPolarHBondContact O-CB 3.38Å; Y37-D40 PolarHBondContact O-N 3.22Å; Y37-C41 PolarHBondContact O-N 3.43Å; Y37-S76 WeakPolarHBondContact CD1-O 3.29Å; Y37-S76 WeakPolarHBondContact CE1-O 3.36Å; Y37-L77 HydrophobicContact CD1-CD2 4.24Å; Y37-L77 HydrophobicContact CG-CD2 4.37Å; Y37-K78 WeakPolarHBondContact CE1-O 3.49Å; Y37-K78 PolarHBondContact OH-O 3.16Å; Y37-G79 VanDerWaalsContact CZ-C 3.45Å; Y37-G79 WeakPolarHBondContact OH-CA 3.38Å; Y37-V83 HydrophobicContact CE2-CG2 4.32Å; Y37-K139 HydrophobicContact CE2-CG 4.01Å; Y37-Q143 HydrophobicContact CE1-CG 4.2Å |
| 38 | P | 91.2 | Very high | 88 | Confident | 25 Ų | 25 | 26.7 Ų | 26.7 | 16% | 0.162 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -62.4 | -37.1 | 178.3 | -22.7 | 35 | 0 | 0 | 0 | 112.4 | V35 C41 V42 L64 L67 L77 | V35-P38 WeakPolarHBondContact O-CD 3.46Å; P38-C41 WeakPolarHBondContact O-CB 3.47Å; P38-C41 PolarHBondContact O-N 3.02Å; P38-V42 PolarHBondContact O-N 3.03Å; P38-V42 VanDerWaalsContact O-N 3.17Å; P38-L64 HydrophobicContact CB-CD2 4.18Å; P38-L67 HydrophobicContact CB-CD2 4.19Å; P38-L67 WeakPolarHBondContact O-CD2 3.37Å; P38-L77 HydrophobicContact CG-CD2 4.25Å |
| 39 | V | 91.6 | Very high | 87.6 | Confident | 23 Ų | 23 | 27 Ų | 27 | 14% | 0.139 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.3 | -46.8 | 175.4 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | M36 Y37 C41 V42 K43 L60 L64 T286 | M36-V39 HydrophobicContact CE-CB 4.28Å; M36-V39 HydrophobicContact CE-CG1 3.94Å; M36-V39 HydrophobicContact CE-CG2 4.44Å; M36-V39 WeakPolarHBondContact O-CB 3.44Å; M36-V39 PolarHBondContact O-N 3.41Å; Y37-V39 VanDerWaalsContact C-N 3.27Å; Y37-V39 PolarHBondContact O-N 3.33Å; V39-C41 PolarHBondContact O-N 3.19Å; V39-V42 PolarHBondContact O-N 2.86Å; V39-K43 PolarHBondContact O-N 2.78Å; V39-L60 HydrophobicContact CG1-CD1 4.13Å; V39-L64 HydrophobicContact CG2-CD1 4.22Å; V39-L64 HydrophobicContact CG2-CD2 4.06Å; V39-T286 HydrophobicContact CB-CG2 4.41Å; V39-T286 HydrophobicContact CG1-CG2 3.09Å |
| 40 | D | 91.1 | Very high | 87.1 | Confident | 18 Ų | 18 | 32.6 Ų | 32.6 | 10% | 0.096 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -37.3 | 175.4 | -84.1 | -21.6 | 0 | 0 | 0 | 111.8 | M36 Y37 K43 T44 K139 | M36-D40 PolarHBondContact O-N 2.96Å; Y37-D40 WeakPolarHBondContact O-CB 3.38Å; Y37-D40 PolarHBondContact O-N 3.22Å; D40-K43 WeakPolarHBondContact O-CB 3.26Å; D40-K43 PolarHBondContact O-N 3.08Å; D40-K43 IonicContact OD1-NZ 3.47Å; D40-K43 PolarHBondContact OD1-NZ 3.02Å; D40-T44 WeakPolarHBondContact O-CB 3.47Å; D40-T44 PolarHBondContact O-N 3.45Å; D40-T44 PolarHBondContact O-OG1 3.28Å; D40-T44 VanDerWaalsContact O-OG1 3.07Å; D40-K139 IonicContact OD2-NZ 3.14Å; D40-K139 PolarHBondContact OD2-NZ 2.66Å |
| 41 | C | 91.1 | Very high | 86 | Confident | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.02 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | Y37 P38 V39 K43 T44 R45 L67 Q143 | Y37-C41 PolarHBondContact O-N 3.43Å; P38-C41 WeakPolarHBondContact O-CB 3.47Å; P38-C41 PolarHBondContact O-N 3.02Å; V39-C41 PolarHBondContact O-N 3.19Å; C41-K43 PolarHBondContact O-N 2.99Å; C41-T44 PolarHBondContact O-N 3.29Å; C41-R45 VanDerWaalsContact O-CG 3.3Å; C41-R45 WeakPolarHBondContact O-CG 3.49Å; C41-R45 PolarHBondContact O-N 3.46Å; C41-R45 VanDerWaalsContact SG-CZ 3.56Å; C41-R45 PolarHBondContact SG-NE 3.27Å; C41-R45 VanDerWaalsContact SG-NE 3.38Å; C41-R45 PolarHBondContact SG-NH2 2.99Å; C41-L67 HydrophobicContact CB-CD2 3.96Å; C41-Q143 HydrophobicContact CB-CB 4.41Å; C41-Q143 HydrophobicContact CB-CG 4.15Å; C41-Q143 PolarHBondContact SG-O 2.92Å |
| 42 | V | 92 | Very high | 84.7 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 176 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | P38 V39 T44 R45 M46 L60 G63 L64 L67 | P38-V42 PolarHBondContact O-N 3.03Å; P38-V42 VanDerWaalsContact O-N 3.17Å; V39-V42 PolarHBondContact O-N 2.86Å; V42-T44 PolarHBondContact O-N 2.81Å; V42-R45 PolarHBondContact O-N 2.93Å; V42-M46 HydrophobicContact CG1-CG 4.18Å; V42-M46 HydrophobicContact CG1-SD 3.84Å; V42-M46 WeakPolarHBondContact O-CB 3.25Å; V42-M46 VanDerWaalsContact O-CG 3.26Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.44Å; V42-L60 HydrophobicContact CB-CD1 4.01Å; V42-L60 HydrophobicContact CG1-CD1 3.91Å; V42-G63 VanDerWaalsContact CG2-C 3.49Å; V42-L64 HydrophobicContact CG2-CD2 3.85Å; V42-L64 HydrophobicContact CG2-CG 4.06Å; V42-L67 HydrophobicContact CG2-CB 4.28Å; V42-L67 HydrophobicContact CG2-CD2 3.9Å |
| 43 | K | 92.5 | Very high | 83.5 | Confident | 39 Ų | 39 | 33.1 Ų | 33.1 | 17% | 0.17 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.9 | -51.5 | 176.5 | -178.8 | -174.3 | 74.3 | -162.1 | 0 | 111.7 | V39 D40 C41 R45 M46 Q47 A282 R283 | V39-K43 PolarHBondContact O-N 2.78Å; D40-K43 WeakPolarHBondContact O-CB 3.26Å; D40-K43 PolarHBondContact O-N 3.08Å; D40-K43 IonicContact OD1-NZ 3.47Å; D40-K43 PolarHBondContact OD1-NZ 3.02Å; C41-K43 PolarHBondContact O-N 2.99Å; K43-R45 VanDerWaalsContact C-N 3.29Å; K43-R45 PolarHBondContact O-N 3.41Å; K43-M46 PolarHBondContact O-N 2.96Å; K43-Q47 WeakPolarHBondContact O-CG 3.45Å; K43-Q47 PolarHBondContact O-N 3Å; K43-A282 HydrophobicContact CB-CB 3.9Å; K43-A282 HydrophobicContact CG-CB 4.07Å; K43-R283 HydrophobicContact CD-CG 3.97Å |
| 44 | T | 91.8 | Very high | 82.1 | Confident | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58 | -42.8 | 179 | -64.6 | 0 | 0 | 0 | 0 | 111 | D40 C41 V42 Q47 C48 Q140 Q143 L144 T231 T235 | D40-T44 WeakPolarHBondContact O-CB 3.47Å; D40-T44 PolarHBondContact O-N 3.45Å; D40-T44 PolarHBondContact O-OG1 3.28Å; D40-T44 VanDerWaalsContact O-OG1 3.07Å; C41-T44 PolarHBondContact O-N 3.29Å; V42-T44 PolarHBondContact O-N 2.81Å; T44-Q47 PolarHBondContact O-N 3.49Å; T44-C48 PolarHBondContact O-N 3.39Å; T44-C48 PolarHBondContact O-SG 3.29Å; T44-Q140 HydrophobicContact CG2-CB 4.2Å; T44-Q140 HydrophobicContact CG2-CG 4.44Å; T44-Q143 HydrophobicContact CG2-CB 3.96Å; T44-Q143 PolarHBondContact OG1-OE1 3.29Å; T44-L144 HydrophobicContact CG2-CD2 4.49Å; T44-T231 HydrophobicContact CG2-CG2 3.95Å; T44-T235 HydrophobicContact CG2-CG2 4.04Å |
| 45 | R | 90.7 | Very high | 80.9 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -68.1 | -39 | 177 | -67.1 | 174.2 | -172.7 | -166.8 | -0.6 | 113.2 | C41 V42 K43 Q47 C48 Y57 L67 E71 Q143 | C41-R45 VanDerWaalsContact O-CG 3.3Å; C41-R45 WeakPolarHBondContact O-CG 3.49Å; C41-R45 PolarHBondContact O-N 3.46Å; C41-R45 VanDerWaalsContact SG-CZ 3.56Å; C41-R45 PolarHBondContact SG-NE 3.27Å; C41-R45 VanDerWaalsContact SG-NE 3.38Å; C41-R45 PolarHBondContact SG-NH2 2.99Å; V42-R45 PolarHBondContact O-N 2.93Å; K43-R45 VanDerWaalsContact C-N 3.29Å; K43-R45 PolarHBondContact O-N 3.41Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 PolarHBondContact O-N 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.19Å; R45-C48 PolarHBondContact O-N 3.11Å; R45-Y57 HydrophobicContact CB-CD2 3.75Å; R45-Y57 HydrophobicContact CB-CE2 3.69Å; R45-Y57 HydrophobicContact CG-CE2 4.2Å; R45-Y57 PolarHBondContact NH1-OH 3.1Å; R45-L67 VanDerWaalsContact NH1-CD1 3.29Å; R45-E71 IonicContact CZ-OE1 3.2Å; R45-E71 IonicContact CZ-OE2 3.51Å; R45-E71 IonicContact NH1-OE1 2.75Å; R45-E71 PolarHBondContact NH1-OE1 3.3Å; R45-E71 IonicContact NH1-OE2 3.24Å; R45-E71 IonicContact NH2-OE1 3.91Å; R45-E71 PolarHBondContact NH2-OE1 2.95Å; R45-E71 IonicContact NH2-OE2 2.77Å; R45-E71 PolarHBondContact NH2-OE2 3.48Å; R45-Q143 WeakPolarHBondContact CG-O 3.2Å; R45-Q143 PolarHBondContact NE-O 3.47Å |
| 46 | M | 90 | Very high | 80 | Confident | 20 Ų | 20 | 34 Ų | 34 | 10% | 0.099 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.9 | -33 | 174.8 | -73.3 | 176.8 | 72.9 | 0 | 0 | 112.4 | V42 K43 C48 R278 S281 A282 | V42-M46 HydrophobicContact CG1-CG 4.18Å; V42-M46 HydrophobicContact CG1-SD 3.84Å; V42-M46 WeakPolarHBondContact O-CB 3.25Å; V42-M46 VanDerWaalsContact O-CG 3.26Å; V42-M46 WeakPolarHBondContact O-CG 3.46Å; V42-M46 PolarHBondContact O-N 3.44Å; K43-M46 PolarHBondContact O-N 2.96Å; M46-C48 VanDerWaalsContact C-N 3.31Å; M46-R278 WeakPolarHBondContact O-CD 3.48Å; M46-S281 WeakPolarHBondContact CE-OG 3.23Å; M46-A282 HydrophobicContact SD-CB 4.25Å |
| 47 | Q | 91.1 | Very high | 79.4 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -80.5 | -11 | 178.6 | -70.8 | 176.1 | -19.4 | 0 | 0 | 113.4 | K43 T44 R45 L49 D227 V228 T231 | K43-Q47 WeakPolarHBondContact O-CG 3.45Å; K43-Q47 PolarHBondContact O-N 3Å; T44-Q47 PolarHBondContact O-N 3.49Å; R45-Q47 VanDerWaalsContact C-N 3.27Å; R45-Q47 PolarHBondContact O-N 3.29Å; Q47-L49 PolarHBondContact O-N 3.42Å; Q47-D227 PolarHBondContact NE2-OD2 3.34Å; Q47-V228 HydrophobicContact CG-CG2 4.16Å; Q47-T231 HydrophobicContact CB-CG2 3.88Å; Q47-T231 VanDerWaalsContact OE1-CB 3.28Å; Q47-T231 PolarHBondContact OE1-OG1 2.91Å |
| 48 | C | 84.9 | Confident | 78.9 | Confident | 15 Ų | 15 | 38.5 Ų | 38.5 | 10% | 0.101 | 23% | 0.228 | C | C | . | . | trans | -67.3 | 128.2 | 172.6 | -66.6 | 0 | 0 | 0 | 0 | 110.4 | T44 R45 M46 L144 R278 | T44-C48 PolarHBondContact O-N 3.39Å; T44-C48 PolarHBondContact O-SG 3.29Å; R45-C48 WeakPolarHBondContact O-CB 3.19Å; R45-C48 PolarHBondContact O-N 3.11Å; M46-C48 VanDerWaalsContact C-N 3.31Å; C48-L144 WeakPolarHBondContact SG-CD2 3.27Å; C48-R278 PolarHBondContact O-NH1 2.87Å | ||
| 49 | L | 71 | Confident | 78.7 | Confident | 13 Ų | 13 | 38.1 Ų | 38.1 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -78.3 | -30.5 | 178.4 | -69.4 | -179.6 | 0 | 0 | 0 | 113 | Q47 P51 L232 Y266 V267 M270 T271 R278 | Q47-L49 PolarHBondContact O-N 3.42Å; L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; L49-L232 HydrophobicContact CB-CD2 4.25Å; L49-L232 HydrophobicContact CD1-CD1 3.56Å; L49-L232 HydrophobicContact CD1-CD2 4.32Å; L49-L232 HydrophobicContact CG-CD1 3.82Å; L49-L232 HydrophobicContact CG-CD2 3.92Å; L49-L232 HydrophobicContact CG-CG 4.5Å; L49-Y266 HydrophobicContact CD1-CD1 3.99Å; L49-Y266 HydrophobicContact CD1-CE1 3.82Å; L49-V267 HydrophobicContact CD1-CB 4.19Å; L49-V267 HydrophobicContact CD1-CG1 4.4Å; L49-V267 HydrophobicContact CD1-CG2 3.81Å; L49-M270 HydrophobicContact CD1-CB 4.42Å; L49-T271 HydrophobicContact CD2-CG2 4.09Å; L49-R278 PolarHBondContact O-NH1 2.85Å |
| 50 | R | 68.5 | Low | 78.6 | Confident | 133 Ų | 133 | 37.4 Ų | 37.4 | 50% | 0.502 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -108.3 | 82.8 | 174.4 | -68.7 | -176.3 | 174.9 | 144.3 | 3.5 | 110.3 | V52 E256 Y266 | R50-V52 PolarHBondContact O-N 3.19Å; R50-E256 IonicContact CZ-OE1 3.01Å; R50-E256 IonicContact CZ-OE2 2.67Å; R50-E256 VanDerWaalsContact NH1-CD 3.29Å; R50-E256 IonicContact NH1-OE1 3.61Å; R50-E256 PolarHBondContact NH1-OE1 2.99Å; R50-E256 IonicContact NH1-OE2 3.8Å; R50-E256 PolarHBondContact NH1-OE2 3.43Å; R50-E256 IonicContact NH2-OE1 2.67Å; R50-E256 PolarHBondContact NH2-OE1 3.48Å; R50-E256 IonicContact NH2-OE2 3.97Å; R50-Y266 PolarHBondContact NH2-OH 3.47Å |
| 51 | P | 59 | Low | 78.6 | Confident | 40 Ų | 40 | 42.5 Ų | 42.5 | 26% | 0.26 | 25% | 0.251 | S | S | . | . | trans | -61.3 | 120.3 | 169.9 | 24.2 | -30 | 0 | 0 | 0 | 108.7 | L49 G53 N56 | L49-P51 VanDerWaalsContact C-CD 3.48Å; L49-P51 WeakPolarHBondContact O-CD 3.42Å; P51-G53 PolarHBondContact O-N 3.38Å; P51-N56 WeakPolarHBondContact CG-OD1 3.45Å | ||
| 52 | V | 57.3 | Low | 78.6 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 49% | 0.485 | 27% | 0.268 | S | S | . | . | trans | -76.5 | 121.6 | 172.8 | -179.9 | 0 | 0 | 0 | 0 | 108 | R50 S55 | R50-V52 PolarHBondContact O-N 3.19Å; V52-S55 WeakPolarHBondContact O-CB 3.25Å | ||
| 53 | G | 59.3 | Low | 78.5 | Confident | 64 Ų | 64 | 45.3 Ų | 45.3 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -137.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | P51 S55 | P51-G53 PolarHBondContact O-N 3.38Å; G53-S55 PolarHBondContact O-N 3.13Å |
| 54 | S | 57.3 | Low | 78.5 | Confident | 91 Ų | 91 | 45.1 Ų | 45.1 | 64% | 0.636 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | 21.5 | -176.9 | -60 | 0 | 0 | 0 | 0 | 115 | N56 | S54-N56 PolarHBondContact O-N 3.29Š|
| 55 | S | 61.7 | Low | 78.5 | Confident | 7 Ų | 7 | 52.5 Ų | 52.5 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | trans | -74.4 | 17.4 | -176.1 | -159.7 | 0 | 0 | 0 | 0 | 114.4 | V52 G53 Y57 Y145 | V52-S55 WeakPolarHBondContact O-CB 3.25Å; G53-S55 PolarHBondContact O-N 3.13Å; S55-Y57 WeakPolarHBondContact O-CD2 3.25Å; S55-Y57 PolarHBondContact O-N 3.17Å; S55-Y145 WeakPolarHBondContact OG-CB 3.47Å | ||
| 56 | N | 69 | Low | 78.4 | Confident | 108 Ų | 108 | 56.6 Ų | 56.6 | 58% | 0.578 | 31% | 0.313 | S | S | * | . | trans | -74.3 | 99.4 | 173 | -85.8 | -30.5 | 0 | 0 | 0 | 110.2 | P51 S54 P58 R66 | P51-N56 WeakPolarHBondContact CG-OD1 3.45Å; S54-N56 PolarHBondContact O-N 3.29Å; N56-P58 VanDerWaalsContact O-CD 3.23Å; N56-P58 WeakPolarHBondContact O-CD 3.42Å; N56-R66 PolarHBondContact O-NH1 2.8Å | ||
| 57 | Y | 77.3 | Confident | 78.4 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 7% | 0.071 | 31% | 0.308 | C | S | . | . | trans | -94.9 | 98 | 171.8 | -66.6 | -72.8 | 0 | 0 | 0 | 109.7 | R45 S55 G59 G63 R66 | R45-Y57 HydrophobicContact CB-CD2 3.75Å; R45-Y57 HydrophobicContact CB-CE2 3.69Å; R45-Y57 HydrophobicContact CG-CE2 4.2Å; R45-Y57 PolarHBondContact NH1-OH 3.1Å; S55-Y57 WeakPolarHBondContact O-CD2 3.25Å; S55-Y57 PolarHBondContact O-N 3.17Å; Y57-G59 PolarHBondContact O-N 3.44Å; Y57-G63 VanDerWaalsContact CE1-CA 3.44Å; Y57-G63 WeakPolarHBondContact CE1-O 3.37Å; Y57-R66 HydrophobicContact CE1-CB 3.85Å | ||
| 58 | P | 79.7 | Confident | 78.3 | Confident | 103 Ų | 103 | 59.6 Ų | 59.6 | 67% | 0.669 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -66.6 | -25 | -178.1 | 26.9 | -34.6 | 0 | 0 | 0 | 112.6 | N56 T62 | N56-P58 VanDerWaalsContact O-CD 3.23Å; N56-P58 WeakPolarHBondContact O-CD 3.42Å; P58-T62 HydrophobicContact CG-CG2 4.15Å |
| 59 | G | 86.2 | Confident | 78.6 | Confident | 17 Ų | 17 | 64.2 Ų | 64.2 | 18% | 0.175 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -159.7 | 167.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y57 G63 | Y57-G59 PolarHBondContact O-N 3.44Å; G59-G63 PolarHBondContact O-N 2.93Å |
| 60 | L | 89.8 | Confident | 79.3 | Confident | 8 Ų | 8 | 68.5 Ų | 68.5 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.8 | -51.3 | -176.7 | 176.7 | 64.8 | 0 | 0 | 0 | 112.3 | V39 V42 G63 L64 A282 L285 T286 | V39-L60 HydrophobicContact CG1-CD1 4.13Å; V42-L60 HydrophobicContact CB-CD1 4.01Å; V42-L60 HydrophobicContact CG1-CD1 3.91Å; L60-G63 CarbonylContact O-C 3.52Å; L60-G63 WeakPolarHBondContact O-CA 3.48Å; L60-G63 PolarHBondContact O-N 2.94Å; L60-G63 VanDerWaalsContact O-N 3.08Å; L60-L64 HydrophobicContact CD1-CD1 4.06Å; L60-L64 HydrophobicContact CD1-CG 4.09Å; L60-L64 HydrophobicContact CG-CD1 3.97Å; L60-L64 HydrophobicContact CG-CG 4.39Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.22Å; L60-A282 HydrophobicContact CB-CB 4.35Å; L60-A282 HydrophobicContact CD1-CB 4.03Å; L60-L285 HydrophobicContact CB-CD1 4.12Å; L60-L285 HydrophobicContact CD2-CB 3.79Å; L60-L285 HydrophobicContact CD2-CD1 4.17Å; L60-T286 HydrophobicContact CD2-CG2 3.73Å |
| 61 | L | 91.5 | Very high | 80.1 | Confident | 126 Ų | 126 | 64.9 Ų | 64.9 | 66% | 0.66 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.3 | -46.9 | -174.2 | -64.1 | 177.9 | 0 | 0 | 0 | 112.4 | G63 L64 Y65 | L61-G63 PolarHBondContact O-N 3.17Å; L61-L64 PolarHBondContact O-N 2.81Å; L61-Y65 WeakPolarHBondContact O-CB 3.39Å; L61-Y65 PolarHBondContact O-N 3.19Å |
| 62 | T | 90.6 | Very high | 81.4 | Confident | 62 Ų | 62 | 64.3 Ų | 64.3 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -34.9 | 173.2 | -50.3 | 0 | 0 | 0 | 0 | 111 | P58 R66 | P58-T62 HydrophobicContact CG-CG2 4.15Å; T62-R66 WeakPolarHBondContact O-CB 3.06Å; T62-R66 VanDerWaalsContact O-CG 3.29Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 3.15Å |
| 63 | G | 90 | Very high | 82.7 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -74.5 | -37.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | V42 Y57 G59 L60 L61 Y65 R66 L67 | V42-G63 VanDerWaalsContact CG2-C 3.49Å; Y57-G63 VanDerWaalsContact CE1-CA 3.44Å; Y57-G63 WeakPolarHBondContact CE1-O 3.37Å; G59-G63 PolarHBondContact O-N 2.93Å; L60-G63 CarbonylContact O-C 3.52Å; L60-G63 WeakPolarHBondContact O-CA 3.48Å; L60-G63 PolarHBondContact O-N 2.94Å; L60-G63 VanDerWaalsContact O-N 3.08Å; L61-G63 PolarHBondContact O-N 3.17Å; G63-Y65 VanDerWaalsContact C-N 3.35Å; G63-R66 PolarHBondContact O-N 3.49Å; G63-L67 WeakPolarHBondContact O-CB 3.23Å; G63-L67 PolarHBondContact O-N 3.36Å |
| 64 | L | 91.5 | Very high | 83.7 | Confident | 35 Ų | 35 | 66.9 Ų | 66.9 | 18% | 0.183 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 171.4 | -75.5 | 170.8 | 0 | 0 | 0 | 110.4 | P38 V39 V42 L60 L61 R66 L67 I68 | P38-L64 HydrophobicContact CB-CD2 4.18Å; V39-L64 HydrophobicContact CG2-CD1 4.22Å; V39-L64 HydrophobicContact CG2-CD2 4.06Å; V42-L64 HydrophobicContact CG2-CD2 3.85Å; V42-L64 HydrophobicContact CG2-CG 4.06Å; L60-L64 HydrophobicContact CD1-CD1 4.06Å; L60-L64 HydrophobicContact CD1-CG 4.09Å; L60-L64 HydrophobicContact CG-CD1 3.97Å; L60-L64 HydrophobicContact CG-CG 4.39Å; L60-L64 WeakPolarHBondContact O-CG 3.39Å; L60-L64 PolarHBondContact O-N 3.22Å; L61-L64 PolarHBondContact O-N 2.81Å; L64-R66 PolarHBondContact O-N 3.38Å; L64-L67 PolarHBondContact O-N 3.45Å; L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3Å |
| 65 | Y | 92 | Very high | 84.7 | Confident | 156 Ų | 156 | 63 Ų | 63 | 61% | 0.612 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57 | -50 | 176.2 | 179.3 | -106 | 0 | 0 | 0 | 111.8 | L61 G63 I68 L69 | L61-Y65 WeakPolarHBondContact O-CB 3.39Å; L61-Y65 PolarHBondContact O-N 3.19Å; G63-Y65 VanDerWaalsContact C-N 3.35Å; Y65-I68 PolarHBondContact O-N 3.11Å; Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CD2-CD1 4.39Å; Y65-L69 HydrophobicContact CE1-CD1 3.34Å; Y65-L69 HydrophobicContact CE1-CG 4.39Å; Y65-L69 HydrophobicContact CE2-CD1 3.85Å; Y65-L69 HydrophobicContact CE2-CG 4.25Å; Y65-L69 HydrophobicContact CG-CD1 4.44Å; Y65-L69 WeakPolarHBondContact O-CB 3.45Å; Y65-L69 WeakPolarHBondContact O-CG 3.41Å; Y65-L69 PolarHBondContact O-N 3.05Å |
| 66 | R | 89.1 | Confident | 85.7 | Confident | 92 Ų | 92 | 62.7 Ų | 62.7 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.6 | -75.2 | 177.7 | -175.9 | -166.1 | 3.3 | 113 | N56 Y57 T62 G63 L64 L69 Q70 | N56-R66 PolarHBondContact O-NH1 2.8Å; Y57-R66 HydrophobicContact CE1-CB 3.85Å; T62-R66 WeakPolarHBondContact O-CB 3.06Å; T62-R66 VanDerWaalsContact O-CG 3.29Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 3.15Å; G63-R66 PolarHBondContact O-N 3.49Å; L64-R66 PolarHBondContact O-N 3.38Å; R66-L69 PolarHBondContact O-N 2.96Å; R66-Q70 VanDerWaalsContact O-CB 3.25Å; R66-Q70 WeakPolarHBondContact O-CB 3.19Å; R66-Q70 VanDerWaalsContact O-CG 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 3.4Å |
| 67 | L | 89.2 | Confident | 86.4 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.2 | -49.9 | 177.6 | 176.5 | 67.5 | 0 | 0 | 0 | 110.6 | P38 C41 V42 R45 G63 L64 Q70 E71 | P38-L67 HydrophobicContact CB-CD2 4.19Å; P38-L67 WeakPolarHBondContact O-CD2 3.37Å; C41-L67 HydrophobicContact CB-CD2 3.96Å; V42-L67 HydrophobicContact CG2-CB 4.28Å; V42-L67 HydrophobicContact CG2-CD2 3.9Å; R45-L67 VanDerWaalsContact NH1-CD1 3.29Å; G63-L67 WeakPolarHBondContact O-CB 3.23Å; G63-L67 PolarHBondContact O-N 3.36Å; L64-L67 PolarHBondContact O-N 3.45Å; L67-Q70 PolarHBondContact O-N 3.47Å; L67-E71 HydrophobicContact CD1-CB 4.38Å; L67-E71 WeakPolarHBondContact CD1-OE2 3.31Å; L67-E71 WeakPolarHBondContact O-CB 3.21Å; L67-E71 PolarHBondContact O-N 3.19Å |
| 68 | I | 90.5 | Very high | 86.4 | Confident | 83 Ų | 83 | 65 Ų | 65 | 43% | 0.426 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.3 | -41.9 | -179.3 | -65.5 | 166.3 | 0 | 0 | 0 | 110.6 | L64 Y65 G72 V73 | L64-I68 VanDerWaalsContact O-CG1 3.3Å; L64-I68 WeakPolarHBondContact O-CG1 3.2Å; L64-I68 PolarHBondContact O-N 3Å; Y65-I68 PolarHBondContact O-N 3.11Å; I68-G72 WeakPolarHBondContact O-CA 3.45Å; I68-G72 PolarHBondContact O-N 3.22Å; I68-V73 HydrophobicContact CG2-CG2 4.46Å |
| 69 | L | 89.8 | Confident | 86.4 | Confident | 113 Ų | 113 | 60.4 Ų | 60.4 | 59% | 0.592 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -67.8 | -37.7 | 178.7 | -77 | -173.6 | 0 | 0 | 0 | 113.9 | Y65 R66 | Y65-L69 HydrophobicContact CD1-CD1 3.94Å; Y65-L69 HydrophobicContact CD2-CD1 4.39Å; Y65-L69 HydrophobicContact CE1-CD1 3.34Å; Y65-L69 HydrophobicContact CE1-CG 4.39Å; Y65-L69 HydrophobicContact CE2-CD1 3.85Å; Y65-L69 HydrophobicContact CE2-CG 4.25Å; Y65-L69 HydrophobicContact CG-CD1 4.44Å; Y65-L69 WeakPolarHBondContact O-CB 3.45Å; Y65-L69 WeakPolarHBondContact O-CG 3.41Å; Y65-L69 PolarHBondContact O-N 3.05Å; R66-L69 PolarHBondContact O-N 2.96Å |
| 70 | Q | 87.1 | Confident | 86.2 | Confident | 102 Ų | 102 | 61.1 Ų | 61.1 | 48% | 0.477 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -88.4 | -37.4 | -173.8 | -69 | 179.8 | -23.5 | 0 | 0 | 113.1 | R66 L67 | R66-Q70 VanDerWaalsContact O-CB 3.25Å; R66-Q70 WeakPolarHBondContact O-CB 3.19Å; R66-Q70 VanDerWaalsContact O-CG 3.25Å; R66-Q70 WeakPolarHBondContact O-CG 3.45Å; R66-Q70 PolarHBondContact O-N 3.4Å; L67-Q70 PolarHBondContact O-N 3.47Å |
| 71 | E | 85.4 | Confident | 86 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -113.5 | -12.8 | -173.3 | -67.2 | 174.6 | -149.7 | 0 | 0 | 113.1 | R45 L67 G75 | R45-E71 IonicContact CZ-OE1 3.2Å; R45-E71 IonicContact CZ-OE2 3.51Å; R45-E71 IonicContact NH1-OE1 2.75Å; R45-E71 PolarHBondContact NH1-OE1 3.3Å; R45-E71 IonicContact NH1-OE2 3.24Å; R45-E71 IonicContact NH2-OE1 3.91Å; R45-E71 PolarHBondContact NH2-OE1 2.95Å; R45-E71 IonicContact NH2-OE2 2.77Å; R45-E71 PolarHBondContact NH2-OE2 3.48Å; L67-E71 HydrophobicContact CD1-CB 4.38Å; L67-E71 WeakPolarHBondContact CD1-OE2 3.31Å; L67-E71 WeakPolarHBondContact O-CB 3.21Å; L67-E71 PolarHBondContact O-N 3.19Å; E71-G75 VanDerWaalsContact O-CA 3.29Å; E71-G75 WeakPolarHBondContact O-CA 3.26Å; E71-G75 PolarHBondContact O-N 3.24Å |
| 72 | G | 85.8 | Confident | 85.8 | Confident | 29 Ų | 29 | 55.8 Ų | 55.8 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | 70.8 | 171.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | I68 G75 S76 | I68-G72 WeakPolarHBondContact O-CA 3.45Å; I68-G72 PolarHBondContact O-N 3.22Å; G72-G75 PolarHBondContact O-N 3.11Å; G72-S76 PolarHBondContact O-N 3.2Å |
| 73 | V | 83.6 | Confident | 85.5 | Confident | 92 Ų | 92 | 53.2 Ų | 53.2 | 56% | 0.558 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -62.4 | -45.5 | 177.3 | -179.7 | 0 | 0 | 0 | 0 | 110.6 | I68 G75 S76 L77 | I68-V73 HydrophobicContact CG2-CG2 4.46Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 2.92Å; V73-S76 PolarHBondContact O-N 3.13Å; V73-S76 PolarHBondContact O-OG 2.71Å; V73-L77 PolarHBondContact O-N 2.63Å |
| 74 | S | 81 | Confident | 85.3 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 73% | 0.734 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.5 | -35.2 | 179.3 | -51.1 | 0 | 0 | 0 | 0 | 113 | ||
| 75 | G | 78.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 62.8 Ų | 62.8 | 9% | 0.093 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E71 G72 V73 L77 K78 | E71-G75 VanDerWaalsContact O-CA 3.29Å; E71-G75 WeakPolarHBondContact O-CA 3.26Å; E71-G75 PolarHBondContact O-N 3.24Å; G72-G75 PolarHBondContact O-N 3.11Å; V73-G75 VanDerWaalsContact C-N 3.33Å; V73-G75 PolarHBondContact O-N 2.92Å; G75-L77 PolarHBondContact O-N 2.84Å; G75-K78 VanDerWaalsContact O-CB 3.27Å; G75-K78 WeakPolarHBondContact O-CB 3.25Å; G75-K78 VanDerWaalsContact O-CG 3.3Å; G75-K78 WeakPolarHBondContact O-CG 3.2Å; G75-K78 PolarHBondContact O-N 3.14Å |
| 76 | S | 80.9 | Confident | 84.8 | Confident | 2 Ų | 2 | 55.8 Ų | 55.8 | 1% | 0.014 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -29.4 | 178.2 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | Y37 G72 V73 K78 | Y37-S76 WeakPolarHBondContact CD1-O 3.29Å; Y37-S76 WeakPolarHBondContact CE1-O 3.36Å; G72-S76 PolarHBondContact O-N 3.2Å; V73-S76 PolarHBondContact O-N 3.13Å; V73-S76 PolarHBondContact O-OG 2.71Å; S76-K78 VanDerWaalsContact C-N 3.34Å |
| 77 | L | 84.5 | Confident | 84.6 | Confident | 54 Ų | 54 | 51.4 Ų | 51.4 | 28% | 0.283 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 1.4 | 178.6 | -64.4 | 179.4 | 0 | 0 | 0 | 114 | Y37 P38 V73 G75 G79 S80 | Y37-L77 HydrophobicContact CD1-CD2 4.24Å; Y37-L77 HydrophobicContact CG-CD2 4.37Å; P38-L77 HydrophobicContact CG-CD2 4.25Å; V73-L77 PolarHBondContact O-N 2.63Å; G75-L77 PolarHBondContact O-N 2.84Å; L77-G79 PolarHBondContact O-N 3Å; L77-S80 WeakPolarHBondContact O-CB 3.28Å; L77-S80 PolarHBondContact O-N 3.29Å; L77-S80 PolarHBondContact O-OG 3.48Å; L77-S80 VanDerWaalsContact O-OG 3.12Å |
| 78 | K | 78 | Confident | 84.5 | Confident | 120 Ų | 120 | 53 Ų | 53 | 52% | 0.522 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 113.6 | 176.5 | -74.5 | 177.2 | 177.5 | 176.7 | 0 | 109.8 | Y37 G75 S76 | Y37-K78 WeakPolarHBondContact CE1-O 3.49Å; Y37-K78 PolarHBondContact OH-O 3.16Å; G75-K78 VanDerWaalsContact O-CB 3.27Å; G75-K78 WeakPolarHBondContact O-CB 3.25Å; G75-K78 VanDerWaalsContact O-CG 3.3Å; G75-K78 WeakPolarHBondContact O-CG 3.2Å; G75-K78 PolarHBondContact O-N 3.14Å; S76-K78 VanDerWaalsContact C-N 3.34Å |
| 79 | G | 78.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 7% | 0.072 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 104 | 0.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y37 L77 G81 A82 | Y37-G79 VanDerWaalsContact CZ-C 3.45Å; Y37-G79 WeakPolarHBondContact OH-CA 3.38Å; L77-G79 PolarHBondContact O-N 3Å; G79-G81 PolarHBondContact O-N 3.14Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G79-A82 WeakPolarHBondContact O-CB 3.48Å; G79-A82 PolarHBondContact O-N 2.95Å |
| 80 | S | 82.1 | Confident | 84.4 | Confident | 32 Ų | 32 | 47 Ų | 47 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.1 | -35.4 | 167.3 | 59.9 | 0 | 0 | 0 | 0 | 111.9 | L77 A82 V83 I84 | L77-S80 WeakPolarHBondContact O-CB 3.28Å; L77-S80 PolarHBondContact O-N 3.29Å; L77-S80 PolarHBondContact O-OG 3.48Å; L77-S80 VanDerWaalsContact O-OG 3.12Å; S80-A82 PolarHBondContact O-N 2.76Å; S80-V83 PolarHBondContact O-N 3.5Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.2Å; S80-I84 VanDerWaalsContact O-N 3.09Å |
| 81 | G | 85.6 | Confident | 84.3 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 20% | 0.196 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -31.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | G79 V83 I84 W85 | G79-G81 PolarHBondContact O-N 3.14Å; G79-G81 VanDerWaalsContact O-N 3.16Å; G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 PolarHBondContact O-N 3.39Å; G81-I84 PolarHBondContact O-N 3.41Å; G81-W85 WeakPolarHBondContact O-CB 3.38Å; G81-W85 PolarHBondContact O-N 3.47Å |
| 82 | A | 87.4 | Confident | 84.4 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G79 S80 G86 V138 K139 T152 | G79-A82 WeakPolarHBondContact O-CB 3.48Å; G79-A82 PolarHBondContact O-N 2.95Å; S80-A82 PolarHBondContact O-N 2.76Å; A82-G86 PolarHBondContact O-N 2.88Å; A82-V138 HydrophobicContact CB-CB 4.43Å; A82-V138 HydrophobicContact CB-CG1 4.01Å; A82-K139 HydrophobicContact CB-CB 4.26Å; A82-T152 HydrophobicContact CB-CG2 3.62Å; A82-T152 PolarHBondContact N-OG1 3.36Å; A82-T152 VanDerWaalsContact N-OG1 3.14Å |
| 83 | V | 84.2 | Confident | 84.6 | Confident | 7 Ų | 7 | 44.3 Ų | 44.3 | 4% | 0.042 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70.1 | -44.9 | 178.4 | -176 | 0 | 0 | 0 | 0 | 111.1 | H33 Y37 S80 G81 W85 G86 A87 K139 | H33-V83 HydrophobicContact CB-CB 4.49Å; H33-V83 HydrophobicContact CB-CG1 3.58Å; H33-V83 VanDerWaalsContact CD2-CG1 3.46Å; H33-V83 WeakPolarHBondContact CD2-CG1 3.38Å; Y37-V83 HydrophobicContact CE2-CG2 4.32Å; S80-V83 PolarHBondContact O-N 3.5Å; G81-V83 VanDerWaalsContact C-N 3.31Å; G81-V83 PolarHBondContact O-N 3.39Å; V83-W85 PolarHBondContact O-N 3.36Å; V83-G86 PolarHBondContact O-N 3.05Å; V83-A87 WeakPolarHBondContact O-CB 3.3Å; V83-A87 PolarHBondContact O-N 3.28Å; V83-K139 HydrophobicContact CG2-CB 4.45Å; V83-K139 HydrophobicContact CG2-CD 3.55Å; V83-K139 HydrophobicContact CG2-CG 3.98Å |
| 84 | I | 86.1 | Confident | 84.9 | Confident | 67 Ų | 67 | 43.1 Ų | 43.1 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 178.8 | -62.5 | 167.1 | 0 | 0 | 0 | 110.4 | I30 I34 S80 G81 G86 G88 | I30-I84 HydrophobicContact CG2-CG1 3.93Å; I34-I84 HydrophobicContact CD1-CD1 4.06Å; I34-I84 HydrophobicContact CD1-CG1 4.43Å; I34-I84 HydrophobicContact CG1-CD1 4.43Å; S80-I84 WeakPolarHBondContact O-CG1 3.45Å; S80-I84 PolarHBondContact O-N 3.2Å; S80-I84 VanDerWaalsContact O-N 3.09Å; G81-I84 PolarHBondContact O-N 3.41Å; I84-G86 VanDerWaalsContact C-N 3.34Å; I84-G86 PolarHBondContact O-N 3.43Å; I84-G88 PolarHBondContact O-N 3.41Å |
| 85 | W | 86.5 | Confident | 85.2 | Confident | 170 Ų | 170 | 40.6 Ų | 40.6 | 64% | 0.644 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -69.8 | -28.3 | 179.9 | -76.9 | 118.7 | 0 | 0 | 0 | 113.5 | G81 V83 P89 F153 | G81-W85 WeakPolarHBondContact O-CB 3.38Å; G81-W85 PolarHBondContact O-N 3.47Å; V83-W85 PolarHBondContact O-N 3.36Å; W85-P89 WeakPolarHBondContact O-CD 3.49Å; W85-P89 WeakPolarHBondContact O-CG 3.29Å; W85-F153 AromaticContact NE1-CZ 3.78Å |
| 86 | G | 86.4 | Confident | 85.7 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 8% | 0.082 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.5 | -42.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A82 V83 I84 A90 | A82-G86 PolarHBondContact O-N 2.88Å; V83-G86 PolarHBondContact O-N 3.05Å; I84-G86 VanDerWaalsContact C-N 3.34Å; I84-G86 PolarHBondContact O-N 3.43Å; G86-A90 VanDerWaalsContact O-CB 3.24Å; G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 2.84Å; G86-A90 VanDerWaalsContact O-N 3.17Å |
| 87 | A | 85.7 | Confident | 86.2 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -46 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I30 V83 A90 H91 M132 | I30-A87 HydrophobicContact CG1-CB 4.21Å; V83-A87 WeakPolarHBondContact O-CB 3.3Å; V83-A87 PolarHBondContact O-N 3.28Å; A87-A90 PolarHBondContact O-N 3.32Å; A87-H91 PolarHBondContact O-N 3.15Å; A87-H91 PolarHBondContact O-ND1 3.35Å; A87-M132 HydrophobicContact CB-CE 4.2Å |
| 88 | G | 85.4 | Confident | 86.5 | Confident | 34 Ų | 34 | 43.6 Ų | 43.6 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -53.7 | -59.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | I84 A90 H91 A92 | I84-G88 PolarHBondContact O-N 3.41Å; G88-A90 PolarHBondContact O-N 3.33Å; G88-H91 PolarHBondContact O-N 3.45Å; G88-A92 WeakPolarHBondContact O-CB 3.01Å; G88-A92 PolarHBondContact O-N 3.07Å |
| 89 | P | 88.2 | Confident | 87 | Confident | 68 Ų | 68 | 41 Ų | 41 | 44% | 0.442 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.2 | -38 | 177.2 | -25.3 | 35.8 | 0 | 0 | 0 | 113.8 | W85 A92 A93 I131 | W85-P89 WeakPolarHBondContact O-CD 3.49Å; W85-P89 WeakPolarHBondContact O-CG 3.29Å; P89-A92 PolarHBondContact O-N 3.4Å; P89-A93 VanDerWaalsContact O-CB 3.23Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.1Å; P89-I131 HydrophobicContact CB-CG2 4Å |
| 90 | A | 90 | Very high | 87.7 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G86 A87 G88 A93 Y94 I131 M132 | G86-A90 VanDerWaalsContact O-CB 3.24Å; G86-A90 WeakPolarHBondContact O-CB 3.37Å; G86-A90 PolarHBondContact O-N 2.84Å; G86-A90 VanDerWaalsContact O-N 3.17Å; A87-A90 PolarHBondContact O-N 3.32Å; G88-A90 PolarHBondContact O-N 3.33Å; A90-A93 PolarHBondContact O-N 3.29Å; A90-Y94 WeakPolarHBondContact O-CB 2.97Å; A90-Y94 PolarHBondContact O-N 2.95Å; A90-I131 HydrophobicContact CB-CB 4.16Å; A90-I131 HydrophobicContact CB-CG2 3.92Å; A90-M132 HydrophobicContact CB-CB 4.3Å; A90-M132 HydrophobicContact CB-CE 3.86Å |
| 91 | H | 85.6 | Confident | 88.1 | Confident | 46 Ų | 46 | 48 Ų | 48 | 21% | 0.213 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.1 | -45.2 | 176.4 | -70.4 | 84.3 | 0 | 0 | 0 | 111 | A87 G88 A93 Y94 F95 | A87-H91 PolarHBondContact O-N 3.15Å; A87-H91 PolarHBondContact O-ND1 3.35Å; G88-H91 PolarHBondContact O-N 3.45Å; H91-A93 VanDerWaalsContact C-N 3.28Å; H91-A93 PolarHBondContact O-N 2.86Å; H91-Y94 WeakPolarHBondContact O-CB 3.36Å; H91-Y94 PolarHBondContact O-N 3.31Å; H91-Y94 VanDerWaalsContact O-N 3.16Å; H91-F95 HydrophobicContact CB-CD2 4.36Å; H91-F95 HydrophobicContact CB-CE2 4.07Å; H91-F95 WeakPolarHBondContact O-CD2 3.47Å; H91-F95 PolarHBondContact O-N 3.24Å |
| 92 | A | 87.9 | Confident | 88.3 | Confident | 64 Ų | 64 | 51.2 Ų | 51.2 | 53% | 0.529 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.1 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | G88 P89 G96 | G88-A92 WeakPolarHBondContact O-CB 3.01Å; G88-A92 PolarHBondContact O-N 3.07Å; P89-A92 PolarHBondContact O-N 3.4Å; A92-G96 PolarHBondContact O-N 3.47Å |
| 93 | A | 90.1 | Very high | 88.5 | Confident | 22 Ų | 22 | 54 Ų | 54 | 18% | 0.182 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | P89 A90 H91 C97 L127 I131 | P89-A93 VanDerWaalsContact O-CB 3.23Å; P89-A93 WeakPolarHBondContact O-CB 3.36Å; P89-A93 PolarHBondContact O-N 3.1Å; A90-A93 PolarHBondContact O-N 3.29Å; H91-A93 VanDerWaalsContact C-N 3.28Å; H91-A93 PolarHBondContact O-N 2.86Å; A93-C97 WeakPolarHBondContact O-CB 3.43Å; A93-C97 PolarHBondContact O-N 3.23Å; A93-L127 HydrophobicContact CB-CD2 3.92Å; A93-L127 HydrophobicContact CB-CG 4.12Å; A93-I131 HydrophobicContact CB-CD1 3.21Å |
| 94 | Y | 89.9 | Confident | 88.9 | Confident | 67 Ų | 67 | 56.5 Ų | 56.5 | 26% | 0.263 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -54.7 | -55.8 | 173.5 | 178 | -92.4 | 0 | 0 | 0 | 110.7 | A90 H91 C97 Y98 A124 H128 | A90-Y94 WeakPolarHBondContact O-CB 2.97Å; A90-Y94 PolarHBondContact O-N 2.95Å; H91-Y94 WeakPolarHBondContact O-CB 3.36Å; H91-Y94 PolarHBondContact O-N 3.31Å; H91-Y94 VanDerWaalsContact O-N 3.16Å; Y94-C97 PolarHBondContact O-N 3.46Å; Y94-Y98 VanDerWaalsContact O-CB 3.29Å; Y94-Y98 WeakPolarHBondContact O-CB 3.49Å; Y94-Y98 PolarHBondContact O-N 3.35Å; Y94-A124 VanDerWaalsContact CD2-C 3.5Å; Y94-A124 HydrophobicContact CD2-CB 3.57Å; Y94-A124 WeakPolarHBondContact CD2-O 3.38Å; Y94-A124 HydrophobicContact CE2-CB 3.59Å; Y94-A124 HydrophobicContact CG-CB 4.18Å; Y94-A124 WeakPolarHBondContact O-CB 3.13Å; Y94-H128 HydrophobicContact CD2-CB 4.03Å |
| 95 | F | 87 | Confident | 89.2 | Confident | 52 Ų | 52 | 53.9 Ų | 53.9 | 23% | 0.228 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.2 | -43.8 | -177.2 | -66.1 | -65.1 | 0 | 0 | 0 | 112.1 | M22 H91 C97 Y98 E99 | M22-F95 HydrophobicContact CB-CD2 4.24Å; M22-F95 HydrophobicContact CB-CE2 3.93Å; M22-F95 HydrophobicContact CB-CZ 4.11Å; M22-F95 HydrophobicContact CE-CB 3.31Å; M22-F95 HydrophobicContact CE-CD1 4.01Å; M22-F95 HydrophobicContact CE-CD2 3.39Å; M22-F95 HydrophobicContact CE-CE2 4.16Å; M22-F95 HydrophobicContact CE-CG 3.3Å; M22-F95 HydrophobicContact CG-CD1 3.78Å; M22-F95 HydrophobicContact CG-CD2 3.98Å; M22-F95 HydrophobicContact CG-CE1 3.65Å; M22-F95 HydrophobicContact CG-CE2 3.85Å; M22-F95 HydrophobicContact CG-CG 3.96Å; M22-F95 HydrophobicContact CG-CZ 3.69Å; M22-F95 HydrophobicContact SD-CB 4.01Å; M22-F95 HydrophobicContact SD-CD1 3.81Å; M22-F95 HydrophobicContact SD-CD2 4.17Å; M22-F95 HydrophobicContact SD-CE1 4.31Å; M22-F95 HydrophobicContact SD-CG 3.75Å; H91-F95 HydrophobicContact CB-CD2 4.36Å; H91-F95 HydrophobicContact CB-CE2 4.07Å; H91-F95 WeakPolarHBondContact O-CD2 3.47Å; H91-F95 PolarHBondContact O-N 3.24Å; F95-C97 VanDerWaalsContact C-N 3.33Å; F95-C97 PolarHBondContact O-N 3.17Å; F95-Y98 PolarHBondContact O-N 2.84Å; F95-E99 PolarHBondContact O-N 2.67Å |
| 96 | G | 89.8 | Confident | 89.3 | Confident | 45 Ų | 45 | 49.4 Ų | 49.4 | 46% | 0.464 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A92 K100 | A92-G96 PolarHBondContact O-N 3.47Å; G96-K100 VanDerWaalsContact O-CB 3.23Å; G96-K100 WeakPolarHBondContact O-CB 3.3Å; G96-K100 PolarHBondContact O-N 3.23Å; G96-K100 VanDerWaalsContact O-N 3.1Å |
| 97 | C | 91.7 | Very high | 89.6 | Confident | 25 Ų | 25 | 56.1 Ų | 56.1 | 17% | 0.169 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 176.1 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | A93 Y94 F95 K100 M101 A124 L127 | A93-C97 WeakPolarHBondContact O-CB 3.43Å; A93-C97 PolarHBondContact O-N 3.23Å; Y94-C97 PolarHBondContact O-N 3.46Å; F95-C97 VanDerWaalsContact C-N 3.33Å; F95-C97 PolarHBondContact O-N 3.17Å; C97-K100 PolarHBondContact O-N 3.38Å; C97-M101 WeakPolarHBondContact O-CB 3.41Å; C97-M101 VanDerWaalsContact O-CG 3.23Å; C97-M101 WeakPolarHBondContact O-CG 3.3Å; C97-M101 PolarHBondContact O-N 3.49Å; C97-A124 HydrophobicContact CB-CB 4.31Å; C97-L127 HydrophobicContact CB-CD2 3.67Å |
| 98 | Y | 89.8 | Confident | 89.8 | Confident | 59 Ų | 59 | 58.8 Ų | 58.8 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.7 | -51 | 179.8 | -177 | -102 | 0 | 0 | 0 | 111.8 | Y94 F95 K100 M101 K102 A120 | Y94-Y98 VanDerWaalsContact O-CB 3.29Å; Y94-Y98 WeakPolarHBondContact O-CB 3.49Å; Y94-Y98 PolarHBondContact O-N 3.35Å; F95-Y98 PolarHBondContact O-N 2.84Å; Y98-K100 VanDerWaalsContact C-N 3.34Å; Y98-K100 PolarHBondContact O-N 2.78Å; Y98-M101 PolarHBondContact O-N 3.2Å; Y98-K102 HydrophobicContact CE1-CD 4.16Å; Y98-K102 WeakPolarHBondContact O-CB 3.48Å; Y98-K102 PolarHBondContact O-N 2.91Å; Y98-A120 HydrophobicContact CD2-CB 4.09Å; Y98-A120 HydrophobicContact CE2-CB 4.12Å |
| 99 | E | 89.7 | Confident | 90 | Very high | 64 Ų | 64 | 61.3 Ų | 61.3 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 179.2 | -71.1 | -55.8 | 130.8 | 0 | 0 | 112 | L18 F95 S103 | L18-E99 HydrophobicContact CD2-CG 4.46Å; F95-E99 PolarHBondContact O-N 2.67Å; E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.29Å; E99-S103 PolarHBondContact O-N 2.97Å; E99-S103 PolarHBondContact O-OG 2.69Å |
| 100 | K | 92.3 | Very high | 90 | Very high | 131 Ų | 131 | 64.2 Ų | 64.2 | 57% | 0.57 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.8 | -47.5 | 175.9 | -178 | 59.6 | 176.6 | -178.7 | 0 | 111.7 | G96 C97 Y98 S103 T104 | G96-K100 VanDerWaalsContact O-CB 3.23Å; G96-K100 WeakPolarHBondContact O-CB 3.3Å; G96-K100 PolarHBondContact O-N 3.23Å; G96-K100 VanDerWaalsContact O-N 3.1Å; C97-K100 PolarHBondContact O-N 3.38Å; Y98-K100 VanDerWaalsContact C-N 3.34Å; Y98-K100 PolarHBondContact O-N 2.78Å; K100-S103 PolarHBondContact O-N 3.32Å; K100-T104 WeakPolarHBondContact O-CB 3.08Å; K100-T104 PolarHBondContact O-N 3.3Å; K100-T104 PolarHBondContact O-OG1 2.81Å |
| 101 | M | 92 | Very high | 89.9 | Confident | 55 Ų | 55 | 65.8 Ų | 65.8 | 27% | 0.271 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.5 | -42.2 | 179.9 | -69.5 | -62.2 | 95.4 | 0 | 0 | 111.7 | C97 Y98 S103 T104 L105 A120 C123 | C97-M101 WeakPolarHBondContact O-CB 3.41Å; C97-M101 VanDerWaalsContact O-CG 3.23Å; C97-M101 WeakPolarHBondContact O-CG 3.3Å; C97-M101 PolarHBondContact O-N 3.49Å; Y98-M101 PolarHBondContact O-N 3.2Å; M101-S103 VanDerWaalsContact C-N 3.34Å; M101-S103 PolarHBondContact O-N 3.11Å; M101-T104 PolarHBondContact O-N 2.95Å; M101-L105 VanDerWaalsContact O-CB 3.28Å; M101-L105 WeakPolarHBondContact O-CB 3.35Å; M101-L105 VanDerWaalsContact O-CG 3.24Å; M101-L105 WeakPolarHBondContact O-CG 3.41Å; M101-L105 PolarHBondContact O-N 3.48Å; M101-A120 HydrophobicContact CB-CB 3.67Å; M101-C123 HydrophobicContact CG-CB 4.21Å |
| 102 | K | 89.8 | Confident | 90.1 | Very high | 87 Ų | 87 | 66.4 Ų | 66.4 | 38% | 0.378 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58.4 | -46 | 173.8 | -178.3 | -177.9 | 170.5 | -167.9 | 0 | 111.4 | Y98 A106 | Y98-K102 HydrophobicContact CE1-CD 4.16Å; Y98-K102 WeakPolarHBondContact O-CB 3.48Å; Y98-K102 PolarHBondContact O-N 2.91Å; K102-A106 VanDerWaalsContact O-CB 3.32Å; K102-A106 WeakPolarHBondContact O-CB 3.25Å; K102-A106 PolarHBondContact O-N 3.01Å |
| 103 | S | 90.3 | Very high | 90.2 | Very high | 63 Ų | 63 | 67.8 Ų | 67.8 | 44% | 0.441 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 178.1 | -59.7 | 0 | 0 | 0 | 0 | 112.1 | E99 K100 M101 A106 I107 | E99-S103 VanDerWaalsContact O-CB 3.29Å; E99-S103 WeakPolarHBondContact O-CB 3.29Å; E99-S103 PolarHBondContact O-N 2.97Å; E99-S103 PolarHBondContact O-OG 2.69Å; K100-S103 PolarHBondContact O-N 3.32Å; M101-S103 VanDerWaalsContact C-N 3.34Å; M101-S103 PolarHBondContact O-N 3.11Å; S103-A106 PolarHBondContact O-N 2.62Å; S103-I107 WeakPolarHBondContact O-CG1 3.13Å; S103-I107 PolarHBondContact O-N 2.98Å |
| 104 | T | 93 | Very high | 90.2 | Very high | 59 Ų | 59 | 73.4 Ų | 73.4 | 36% | 0.362 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.1 | -42 | 178 | -67 | 0 | 0 | 0 | 0 | 111.9 | K100 M101 A106 I107 A108 | K100-T104 WeakPolarHBondContact O-CB 3.08Å; K100-T104 PolarHBondContact O-N 3.3Å; K100-T104 PolarHBondContact O-OG1 2.81Å; M101-T104 PolarHBondContact O-N 2.95Å; T104-A106 VanDerWaalsContact C-N 3.32Å; T104-I107 PolarHBondContact O-N 3.15Å; T104-A108 PolarHBondContact O-N 3.24Å |
| 105 | L | 91.8 | Very high | 90.3 | Very high | 12 Ų | 12 | 74.1 Ų | 74.1 | 6% | 0.063 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -76.6 | -18 | 179.1 | -66.9 | 168 | 0 | 0 | 0 | 113.3 | M101 A108 P109 I110 N116 I119 A120 | M101-L105 VanDerWaalsContact O-CB 3.28Å; M101-L105 WeakPolarHBondContact O-CB 3.35Å; M101-L105 VanDerWaalsContact O-CG 3.24Å; M101-L105 WeakPolarHBondContact O-CG 3.41Å; M101-L105 PolarHBondContact O-N 3.48Å; L105-A108 CarbonylContact O-C 3.47Å; L105-P109 VanDerWaalsContact O-CA 3.22Å; L105-P109 WeakPolarHBondContact O-CA 3.45Å; L105-P109 WeakPolarHBondContact O-CG 3.3Å; L105-I110 HydrophobicContact CD2-CB 4.44Å; L105-I110 HydrophobicContact CD2-CD1 3.53Å; L105-I110 HydrophobicContact CD2-CG1 3.71Å; L105-N116 HydrophobicContact CB-CB 3.97Å; L105-N116 HydrophobicContact CD1-CB 4.22Å; L105-N116 VanDerWaalsContact CD1-O 3.27Å; L105-N116 WeakPolarHBondContact CD1-O 3.44Å; L105-I119 HydrophobicContact CD1-CB 4.11Å; L105-I119 HydrophobicContact CD1-CG2 4.05Å; L105-A120 HydrophobicContact CD1-CB 4.36Å |
| 106 | A | 90 | Very high | 90.5 | Very high | 76 Ų | 76 | 72.3 Ų | 72.3 | 63% | 0.628 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -71.5 | -36.5 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | K102 S103 T104 | K102-A106 VanDerWaalsContact O-CB 3.32Å; K102-A106 WeakPolarHBondContact O-CB 3.25Å; K102-A106 PolarHBondContact O-N 3.01Å; S103-A106 PolarHBondContact O-N 2.62Å; T104-A106 VanDerWaalsContact C-N 3.32Å |
| 107 | I | 92 | Very high | 90.5 | Very high | 148 Ų | 148 | 74.1 Ų | 74.1 | 76% | 0.759 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -78.4 | -41.5 | 177.3 | -61.7 | 164.7 | 0 | 0 | 0 | 111 | S103 T104 | S103-I107 WeakPolarHBondContact O-CG1 3.13Å; S103-I107 PolarHBondContact O-N 2.98Å; T104-I107 PolarHBondContact O-N 3.15Å |
| 108 | A | 90.8 | Very high | 90.4 | Very high | 58 Ų | 58 | 79 Ų | 79 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -126.6 | 79.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | T104 L105 I110 | T104-A108 PolarHBondContact O-N 3.24Å; L105-A108 CarbonylContact O-C 3.47Å; A108-I110 PolarHBondContact O-N 3.16Å |
| 109 | P | 88.2 | Confident | 90.6 | Very high | 87 Ų | 87 | 78.9 Ų | 78.9 | 57% | 0.565 | 44% | 0.44 | S | S | * | . | trans | -61.1 | 131.6 | 177.4 | -23.7 | 34.8 | 0 | 0 | 0 | 111.7 | L105 | L105-P109 VanDerWaalsContact O-CA 3.22Å; L105-P109 WeakPolarHBondContact O-CA 3.45Å; L105-P109 WeakPolarHBondContact O-CG 3.3Å | ||
| 110 | I | 87.8 | Confident | 90.7 | Very high | 128 Ų | 128 | 75.8 Ų | 75.8 | 66% | 0.656 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -90.4 | -33.3 | 172.7 | -61.5 | 174.3 | 0 | 0 | 0 | 110 | L105 A108 N116 I119 | L105-I110 HydrophobicContact CD2-CB 4.44Å; L105-I110 HydrophobicContact CD2-CD1 3.53Å; L105-I110 HydrophobicContact CD2-CG1 3.71Å; A108-I110 PolarHBondContact O-N 3.16Å; I110-N116 PolarHBondContact N-OD1 3.42Å; I110-I119 HydrophobicContact CD1-CD1 4.35Å |
| 111 | G | 87.7 | Confident | 90.6 | Very high | 34 Ų | 34 | 70.3 Ų | 70.3 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -151.1 | -152.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | N116 | G111-N116 PolarHBondContact N-OD1 3.21Å; G111-N116 VanDerWaalsContact N-OD1 3.13Å; G111-N116 PolarHBondContact O-ND2 3.49Å; G111-N116 VanDerWaalsContact O-ND2 3.15Å |
| 112 | S | 91 | Very high | 90.7 | Very high | 59 Ų | 59 | 71.5 Ų | 71.5 | 41% | 0.413 | 42% | 0.417 | S | S | . | . | trans | -59.1 | 160 | 174.6 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | H114 I115 N116 | S112-H114 PolarHBondContact O-N 3.09Å; S112-I115 PolarHBondContact O-N 2.77Å; S112-I115 WeakPolarHBondContact OG-CG1 3.48Å; S112-I115 PolarHBondContact OG-N 3.33Å; S112-N116 PolarHBondContact O-N 3.31Å; S112-N116 PolarHBondContact O-ND2 3.49Å | ||
| 113 | T | 90.1 | Very high | 90.9 | Very high | 93 Ų | 93 | 69.6 Ų | 69.6 | 57% | 0.571 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -50.2 | -45.2 | 175.6 | 50.8 | 0 | 0 | 0 | 0 | 111.5 | N116 H117 | T113-N116 PolarHBondContact O-N 3.08Å; T113-H117 PolarHBondContact O-CD2 2.93Å; T113-H117 PolarHBondContact O-N 2.78Å |
| 114 | H | 90 | Very high | 91 | Very high | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.648 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.1 | -46.3 | 176.9 | -60.1 | -65.4 | 0 | 0 | 0 | 113 | S112 N116 H117 M118 | S112-H114 PolarHBondContact O-N 3.09Å; H114-N116 VanDerWaalsContact C-N 3.32Å; H114-N116 PolarHBondContact O-N 2.97Å; H114-H117 PolarHBondContact O-N 3.36Å; H114-M118 VanDerWaalsContact O-CG 3.27Å; H114-M118 WeakPolarHBondContact O-CG 3.31Å; H114-M118 PolarHBondContact O-N 3.06Å |
| 115 | I | 91.3 | Very high | 91 | Very high | 81 Ų | 81 | 66.5 Ų | 66.5 | 42% | 0.415 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.7 | -41.7 | 178.2 | -68.2 | 169.1 | 0 | 0 | 0 | 110.4 | S112 H117 M118 I119 | S112-I115 PolarHBondContact O-N 2.77Å; S112-I115 WeakPolarHBondContact OG-CG1 3.48Å; S112-I115 PolarHBondContact OG-N 3.33Å; I115-H117 PolarHBondContact O-N 3.16Å; I115-M118 WeakPolarHBondContact O-CB 3.29Å; I115-M118 PolarHBondContact O-N 3.38Å; I115-I119 HydrophobicContact CG2-CD1 3.91Å; I115-I119 HydrophobicContact CG2-CG1 4.43Å; I115-I119 WeakPolarHBondContact O-CG1 3.07Å; I115-I119 PolarHBondContact O-N 2.76Å |
| 116 | N | 90.8 | Very high | 91.1 | Very high | 15 Ų | 15 | 69.2 Ų | 69.2 | 8% | 0.08 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.3 | -43 | 178 | -66 | -21.1 | 0 | 0 | 0 | 111.5 | L105 I110 G111 S112 T113 H114 I119 A120 | L105-N116 HydrophobicContact CB-CB 3.97Å; L105-N116 HydrophobicContact CD1-CB 4.22Å; L105-N116 VanDerWaalsContact CD1-O 3.27Å; L105-N116 WeakPolarHBondContact CD1-O 3.44Å; I110-N116 PolarHBondContact N-OD1 3.42Å; G111-N116 PolarHBondContact N-OD1 3.21Å; G111-N116 VanDerWaalsContact N-OD1 3.13Å; G111-N116 PolarHBondContact O-ND2 3.49Å; G111-N116 VanDerWaalsContact O-ND2 3.15Å; S112-N116 PolarHBondContact O-N 3.31Å; S112-N116 PolarHBondContact O-ND2 3.49Å; T113-N116 PolarHBondContact O-N 3.08Å; H114-N116 VanDerWaalsContact C-N 3.32Å; H114-N116 PolarHBondContact O-N 2.97Å; N116-I119 PolarHBondContact O-N 3.17Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 2.99Å |
| 117 | H | 90.2 | Very high | 91.4 | Very high | 83 Ų | 83 | 69 Ų | 69 | 38% | 0.384 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.6 | -37.8 | 174.1 | -71 | -57.1 | 0 | 0 | 0 | 112.7 | T113 H114 I115 A120 G121 | T113-H117 PolarHBondContact O-CD2 2.93Å; T113-H117 PolarHBondContact O-N 2.78Å; H114-H117 PolarHBondContact O-N 3.36Å; I115-H117 PolarHBondContact O-N 3.16Å; H117-A120 PolarHBondContact O-N 3.44Å; H117-G121 PolarHBondContact O-N 3.4Å |
| 118 | M | 90.2 | Very high | 91.4 | Very high | 127 Ų | 127 | 63.6 Ų | 63.6 | 63% | 0.626 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.7 | -42.3 | 174.9 | -71.2 | 173.1 | 69.2 | 0 | 0 | 112.1 | H114 I115 G121 T122 | H114-M118 VanDerWaalsContact O-CG 3.27Å; H114-M118 WeakPolarHBondContact O-CG 3.31Å; H114-M118 PolarHBondContact O-N 3.06Å; I115-M118 WeakPolarHBondContact O-CB 3.29Å; I115-M118 PolarHBondContact O-N 3.38Å; M118-G121 PolarHBondContact O-N 3.46Å; M118-T122 VanDerWaalsContact O-CB 3.31Å; M118-T122 WeakPolarHBondContact O-CB 3.31Å; M118-T122 PolarHBondContact O-N 2.82Å; M118-T122 PolarHBondContact O-OG1 2.75Å |
| 119 | I | 93.1 | Very high | 91.6 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 29% | 0.287 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64 | -47.8 | 176.4 | -66.9 | 167.2 | 0 | 0 | 0 | 110 | L105 I110 I115 N116 G121 T122 C123 | L105-I119 HydrophobicContact CD1-CB 4.11Å; L105-I119 HydrophobicContact CD1-CG2 4.05Å; I110-I119 HydrophobicContact CD1-CD1 4.35Å; I115-I119 HydrophobicContact CG2-CD1 3.91Å; I115-I119 HydrophobicContact CG2-CG1 4.43Å; I115-I119 WeakPolarHBondContact O-CG1 3.07Å; I115-I119 PolarHBondContact O-N 2.76Å; N116-I119 PolarHBondContact O-N 3.17Å; I119-G121 PolarHBondContact O-N 3.17Å; I119-T122 PolarHBondContact O-N 2.67Å; I119-C123 WeakPolarHBondContact O-CB 3.4Å; I119-C123 PolarHBondContact O-N 3.07Å; I119-C123 PolarHBondContact O-SG 2.98Å; I119-C123 VanDerWaalsContact O-SG 3.4Å |
| 120 | A | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y98 M101 L105 N116 H117 A124 | Y98-A120 HydrophobicContact CD2-CB 4.09Å; Y98-A120 HydrophobicContact CE2-CB 4.12Å; M101-A120 HydrophobicContact CB-CB 3.67Å; L105-A120 HydrophobicContact CD1-CB 4.36Å; N116-A120 WeakPolarHBondContact O-CB 3.45Å; N116-A120 PolarHBondContact O-N 2.99Å; H117-A120 PolarHBondContact O-N 3.44Å; A120-A124 WeakPolarHBondContact O-CB 3.31Å; A120-A124 PolarHBondContact O-N 3.45Å |
| 121 | G | 90.8 | Very high | 92.1 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H117 M118 I119 C123 A124 T125 | H117-G121 PolarHBondContact O-N 3.4Å; M118-G121 PolarHBondContact O-N 3.46Å; I119-G121 PolarHBondContact O-N 3.17Å; G121-C123 PolarHBondContact O-N 2.82Å; G121-A124 PolarHBondContact O-N 3.19Å; G121-T125 PolarHBondContact O-N 3.33Å; G121-T125 PolarHBondContact O-OG1 2.92Å; G121-T125 VanDerWaalsContact O-OG1 3.06Å |
| 122 | T | 92.4 | Very high | 92.3 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.3 | -47 | 179.6 | -56.9 | 0 | 0 | 0 | 0 | 111.5 | M118 I119 A124 T125 L126 | M118-T122 VanDerWaalsContact O-CB 3.31Å; M118-T122 WeakPolarHBondContact O-CB 3.31Å; M118-T122 PolarHBondContact O-N 2.82Å; M118-T122 PolarHBondContact O-OG1 2.75Å; I119-T122 PolarHBondContact O-N 2.67Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 2.89Å; T122-T125 PolarHBondContact O-N 2.94Å; T122-L126 HydrophobicContact CG2-CD1 4.14Å; T122-L126 HydrophobicContact CG2-CG 4.43Å; T122-L126 WeakPolarHBondContact O-CB 3.4Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 3.19Å |
| 123 | C | 94.5 | Very high | 92.4 | Very high | 47 Ų | 47 | 51.3 Ų | 51.3 | 32% | 0.318 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 176.4 | -72.2 | 0 | 0 | 0 | 0 | 111.9 | M101 I119 G121 L126 L127 | M101-C123 HydrophobicContact CG-CB 4.21Å; I119-C123 WeakPolarHBondContact O-CB 3.4Å; I119-C123 PolarHBondContact O-N 3.07Å; I119-C123 PolarHBondContact O-SG 2.98Å; I119-C123 VanDerWaalsContact O-SG 3.4Å; G121-C123 PolarHBondContact O-N 2.82Å; C123-L126 PolarHBondContact O-N 2.95Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 PolarHBondContact O-N 3.31Å |
| 124 | A | 93.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y94 C97 A120 G121 T122 L127 H128 | Y94-A124 VanDerWaalsContact CD2-C 3.5Å; Y94-A124 HydrophobicContact CD2-CB 3.57Å; Y94-A124 WeakPolarHBondContact CD2-O 3.38Å; Y94-A124 HydrophobicContact CE2-CB 3.59Å; Y94-A124 HydrophobicContact CG-CB 4.18Å; Y94-A124 WeakPolarHBondContact O-CB 3.13Å; C97-A124 HydrophobicContact CB-CB 4.31Å; A120-A124 WeakPolarHBondContact O-CB 3.31Å; A120-A124 PolarHBondContact O-N 3.45Å; G121-A124 PolarHBondContact O-N 3.19Å; T122-A124 VanDerWaalsContact C-N 3.34Å; T122-A124 PolarHBondContact O-N 2.89Å; A124-L127 PolarHBondContact O-N 3.46Å; A124-H128 VanDerWaalsContact O-CB 3.32Å; A124-H128 WeakPolarHBondContact O-CB 3.44Å; A124-H128 PolarHBondContact O-N 2.89Å |
| 125 | T | 92.2 | Very high | 92.8 | Very high | 57 Ų | 57 | 42 Ų | 42 | 35% | 0.35 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 176.3 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | G121 T122 L127 H128 D129 | G121-T125 PolarHBondContact O-N 3.33Å; G121-T125 PolarHBondContact O-OG1 2.92Å; G121-T125 VanDerWaalsContact O-OG1 3.06Å; T122-T125 PolarHBondContact O-N 2.94Å; T125-L127 VanDerWaalsContact C-N 3.32Å; T125-L127 PolarHBondContact O-N 3.46Å; T125-H128 WeakPolarHBondContact O-CB 3.24Å; T125-H128 PolarHBondContact O-N 3.47Å; T125-D129 WeakPolarHBondContact O-CB 3.32Å; T125-D129 PolarHBondContact O-N 3.43Å |
| 126 | L | 95.3 | Very high | 92.8 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 36% | 0.361 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.8 | -42.6 | 176.8 | -72.8 | 173.1 | 0 | 0 | 0 | 111.7 | T122 C123 A130 Y172 L176 | T122-L126 HydrophobicContact CG2-CD1 4.14Å; T122-L126 HydrophobicContact CG2-CG 4.43Å; T122-L126 WeakPolarHBondContact O-CB 3.4Å; T122-L126 VanDerWaalsContact O-CG 3.26Å; T122-L126 WeakPolarHBondContact O-CG 3.42Å; T122-L126 PolarHBondContact O-N 3.19Å; C123-L126 PolarHBondContact O-N 2.95Å; L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 3.31Å; L126-Y172 PolarHBondContact O-OH 3.31Å; L126-L176 HydrophobicContact CD2-CD1 3.62Å; L126-L176 HydrophobicContact CD2-CD2 3.74Å; L126-L176 HydrophobicContact CD2-CG 4.34Å |
| 127 | L | 94.7 | Very high | 92.9 | Very high | 71 Ų | 71 | 38.6 Ų | 38.6 | 37% | 0.372 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.1 | -44.1 | 177.6 | -177.3 | 63.5 | 0 | 0 | 0 | 111.9 | A93 C97 C123 A124 T125 D129 A130 I131 | A93-L127 HydrophobicContact CB-CD2 3.92Å; A93-L127 HydrophobicContact CB-CG 4.12Å; C97-L127 HydrophobicContact CB-CD2 3.67Å; C123-L127 WeakPolarHBondContact O-CB 3.49Å; C123-L127 PolarHBondContact O-N 3.31Å; A124-L127 PolarHBondContact O-N 3.46Å; T125-L127 VanDerWaalsContact C-N 3.32Å; T125-L127 PolarHBondContact O-N 3.46Å; L127-D129 VanDerWaalsContact C-N 3.35Å; L127-D129 PolarHBondContact O-N 3.39Å; L127-A130 PolarHBondContact O-N 3.36Å; L127-I131 HydrophobicContact CD1-CD1 4.31Å; L127-I131 HydrophobicContact CG-CD1 4.27Å; L127-I131 PolarHBondContact O-N 2.79Å; L127-I131 VanDerWaalsContact O-N 3.14Å |
| 128 | H | 93.3 | Very high | 93.1 | Very high | 34 Ų | 34 | 34.9 Ų | 34.9 | 16% | 0.157 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -52.9 | -53.8 | 173.4 | 171.5 | -85.7 | 0 | 0 | 0 | 110.8 | Y94 A124 T125 A130 I131 M132 | Y94-H128 HydrophobicContact CD2-CB 4.03Å; A124-H128 VanDerWaalsContact O-CB 3.32Å; A124-H128 WeakPolarHBondContact O-CB 3.44Å; A124-H128 PolarHBondContact O-N 2.89Å; T125-H128 WeakPolarHBondContact O-CB 3.24Å; T125-H128 PolarHBondContact O-N 3.47Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact O-N 3.07Å; H128-I131 PolarHBondContact O-N 3.21Å; H128-I131 VanDerWaalsContact O-N 3.11Å; H128-M132 WeakPolarHBondContact O-CB 3.35Å; H128-M132 PolarHBondContact O-N 3.25Å |
| 129 | D | 93.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 29.5 Ų | 29.5 | 4% | 0.037 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.5 | -31 | -177.5 | -73.7 | -4.2 | 0 | 0 | 0 | 111.4 | T125 L127 I131 M132 T133 Y172 L176 N179 | T125-D129 WeakPolarHBondContact O-CB 3.32Å; T125-D129 PolarHBondContact O-N 3.43Å; L127-D129 VanDerWaalsContact C-N 3.35Å; L127-D129 PolarHBondContact O-N 3.39Å; D129-I131 VanDerWaalsContact C-N 3.29Å; D129-I131 PolarHBondContact O-N 2.96Å; D129-M132 PolarHBondContact O-N 3.23Å; D129-T133 WeakPolarHBondContact O-CB 3.48Å; D129-T133 PolarHBondContact O-N 2.94Å; D129-T133 PolarHBondContact O-OG1 3.47Å; D129-Y172 HydrophobicContact CB-CE2 3.9Å; D129-L176 HydrophobicContact CB-CD2 4.01Å; D129-L176 WeakPolarHBondContact OD2-CD2 3.37Å; D129-N179 PolarHBondContact OD2-ND2 2.93Å |
| 130 | A | 94.1 | Very high | 93.2 | Very high | 23 Ų | 23 | 27.4 Ų | 27.4 | 19% | 0.19 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -30.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L126 L127 H128 P134 Y169 Y172 | L126-A130 WeakPolarHBondContact O-CB 3.41Å; L126-A130 PolarHBondContact O-N 3.31Å; L127-A130 PolarHBondContact O-N 3.36Å; H128-A130 VanDerWaalsContact C-N 3.26Å; H128-A130 PolarHBondContact O-N 3.07Å; A130-P134 WeakPolarHBondContact O-CD 3.27Å; A130-Y169 WeakPolarHBondContact O-CE1 3.33Å; A130-Y169 PolarHBondContact O-OH 3.23Å; A130-Y172 HydrophobicContact CB-CE2 3.98Å |
| 131 | I | 93.3 | Very high | 93.2 | Very high | 56 Ų | 56 | 27.4 Ų | 27.4 | 29% | 0.287 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -85.4 | -37.8 | 176.4 | -65.9 | 165.9 | 0 | 0 | 0 | 111.1 | P89 A90 A93 L127 H128 D129 P134 | P89-I131 HydrophobicContact CB-CG2 4Å; A90-I131 HydrophobicContact CB-CB 4.16Å; A90-I131 HydrophobicContact CB-CG2 3.92Å; A93-I131 HydrophobicContact CB-CD1 3.21Å; L127-I131 HydrophobicContact CD1-CD1 4.31Å; L127-I131 HydrophobicContact CG-CD1 4.27Å; L127-I131 PolarHBondContact O-N 2.79Å; L127-I131 VanDerWaalsContact O-N 3.14Å; H128-I131 PolarHBondContact O-N 3.21Å; H128-I131 VanDerWaalsContact O-N 3.11Å; D129-I131 VanDerWaalsContact C-N 3.29Å; D129-I131 PolarHBondContact O-N 2.96Å; I131-P134 WeakPolarHBondContact O-CD 3.34Å |
| 132 | M | 92.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 27.2 Ų | 27.2 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.2 | -32.2 | 179.9 | -169.2 | 65.6 | 79.6 | 0 | 0 | 112.5 | A87 A90 H128 D129 A135 D136 | A87-M132 HydrophobicContact CB-CE 4.2Å; A90-M132 HydrophobicContact CB-CB 4.3Å; A90-M132 HydrophobicContact CB-CE 3.86Å; H128-M132 WeakPolarHBondContact O-CB 3.35Å; H128-M132 PolarHBondContact O-N 3.25Å; D129-M132 PolarHBondContact O-N 3.23Å; M132-A135 WeakPolarHBondContact O-CA 3.42Å; M132-A135 WeakPolarHBondContact O-CB 3.32Å; M132-A135 PolarHBondContact O-N 3.46Å; M132-D136 PolarHBondContact O-N 3.36Å |
| 133 | T | 93.6 | Very high | 93.2 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.025 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | -173.2 | -70.8 | 0 | 0 | 0 | 0 | 114.1 | D129 A135 D136 A137 L168 Y169 Y172 | D129-T133 WeakPolarHBondContact O-CB 3.48Å; D129-T133 PolarHBondContact O-N 2.94Å; D129-T133 PolarHBondContact O-OG1 3.47Å; T133-A135 VanDerWaalsContact C-N 3.32Å; T133-A135 PolarHBondContact O-N 2.66Å; T133-D136 WeakPolarHBondContact O-CB 3.37Å; T133-D136 PolarHBondContact O-N 3.28Å; T133-A137 PolarHBondContact O-N 2.89Å; T133-L168 VanDerWaalsContact CG2-O 3.23Å; T133-L168 WeakPolarHBondContact CG2-O 3.48Å; T133-Y169 HydrophobicContact CG2-CD1 4.3Å; T133-Y172 WeakPolarHBondContact OG1-CD2 3.33Å |
| 134 | P | 93.7 | Very high | 92.9 | Very high | 24 Ų | 24 | 22.2 Ų | 22.2 | 16% | 0.156 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -59.5 | -38.6 | 172.7 | -27.4 | 35.4 | 0 | 0 | 0 | 114.4 | A130 I131 A137 V138 L168 Y169 | A130-P134 WeakPolarHBondContact O-CD 3.27Å; I131-P134 WeakPolarHBondContact O-CD 3.34Å; P134-A137 PolarHBondContact O-N 2.89Å; P134-V138 WeakPolarHBondContact O-CG2 3.32Å; P134-V138 PolarHBondContact O-N 2.91Å; P134-V138 VanDerWaalsContact O-N 3.07Å; P134-L168 HydrophobicContact CB-CB 4.08Å; P134-L168 HydrophobicContact CB-CD1 4.21Å; P134-L168 HydrophobicContact CG-CB 4.34Å; P134-Y169 HydrophobicContact CG-CD2 4.48Å; P134-Y169 HydrophobicContact CG-CE1 4.08Å; P134-Y169 HydrophobicContact CG-CE2 3.72Å; P134-Y169 VanDerWaalsContact CG-CZ 3.47Å; P134-Y169 WeakPolarHBondContact CG-OH 3.36Å |
| 135 | A | 93.3 | Very high | 92.4 | Very high | 13 Ų | 13 | 24.8 Ų | 24.8 | 11% | 0.107 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -66.2 | -42.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | M132 T133 V138 K139 | M132-A135 WeakPolarHBondContact O-CA 3.42Å; M132-A135 WeakPolarHBondContact O-CB 3.32Å; M132-A135 PolarHBondContact O-N 3.46Å; T133-A135 VanDerWaalsContact C-N 3.32Å; T133-A135 PolarHBondContact O-N 2.66Å; A135-V138 PolarHBondContact O-N 3.31Å; A135-K139 VanDerWaalsContact O-CB 3.28Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 2.86Å |
| 136 | D | 92.6 | Very high | 91.8 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 173.2 | -90.6 | -2.8 | 0 | 0 | 0 | 112.2 | M132 T133 V138 K139 Q140 K230 | M132-D136 PolarHBondContact O-N 3.36Å; T133-D136 WeakPolarHBondContact O-CB 3.37Å; T133-D136 PolarHBondContact O-N 3.28Å; D136-V138 PolarHBondContact O-N 3Å; D136-K139 PolarHBondContact O-N 3.41Å; D136-Q140 WeakPolarHBondContact O-CB 3.27Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.48Å; D136-K230 IonicContact OD2-NZ 3.86Å; D136-K230 PolarHBondContact OD2-NZ 3.49Å |
| 137 | A | 93.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.008 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.7 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | T133 P134 R141 L168 N234 | T133-A137 PolarHBondContact O-N 2.89Å; P134-A137 PolarHBondContact O-N 2.89Å; A137-R141 WeakPolarHBondContact O-CG 3.05Å; A137-R141 PolarHBondContact O-N 3.02Å; A137-R141 VanDerWaalsContact O-N 3.16Å; A137-L168 HydrophobicContact CB-CD2 3.91Å; A137-N234 HydrophobicContact CB-CB 4.44Å |
| 138 | V | 93.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.1 | -44.3 | 176.4 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | A82 P134 A135 D136 Q140 R141 L142 T152 C155 L156 L168 | A82-V138 HydrophobicContact CB-CB 4.43Å; A82-V138 HydrophobicContact CB-CG1 4.01Å; P134-V138 WeakPolarHBondContact O-CG2 3.32Å; P134-V138 PolarHBondContact O-N 2.91Å; P134-V138 VanDerWaalsContact O-N 3.07Å; A135-V138 PolarHBondContact O-N 3.31Å; D136-V138 PolarHBondContact O-N 3Å; V138-Q140 PolarHBondContact O-N 2.89Å; V138-R141 PolarHBondContact O-N 3.39Å; V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 PolarHBondContact O-N 3.33Å; V138-T152 HydrophobicContact CG1-CG2 3.91Å; V138-C155 HydrophobicContact CG1-CB 3.94Å; V138-L156 HydrophobicContact CG2-CB 4.24Å; V138-L156 HydrophobicContact CG2-CD1 4.1Å; V138-L168 HydrophobicContact CG2-CD2 4.15Å |
| 139 | K | 92.8 | Very high | 90.6 | Very high | 15 Ų | 15 | 23.2 Ų | 23.2 | 7% | 0.065 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -53.6 | -54.1 | 175.1 | 177 | -165.3 | -176.6 | 171.2 | 0 | 110.6 | Y37 D40 A82 V83 A135 D136 R141 L142 Q143 | Y37-K139 HydrophobicContact CE2-CG 4.01Å; D40-K139 IonicContact OD2-NZ 3.14Å; D40-K139 PolarHBondContact OD2-NZ 2.66Å; A82-K139 HydrophobicContact CB-CB 4.26Å; V83-K139 HydrophobicContact CG2-CB 4.45Å; V83-K139 HydrophobicContact CG2-CD 3.55Å; V83-K139 HydrophobicContact CG2-CG 3.98Å; A135-K139 VanDerWaalsContact O-CB 3.28Å; A135-K139 WeakPolarHBondContact O-CB 3.31Å; A135-K139 PolarHBondContact O-N 2.86Å; D136-K139 PolarHBondContact O-N 3.41Å; K139-R141 VanDerWaalsContact C-N 3.34Å; K139-R141 PolarHBondContact O-N 3.37Å; K139-L142 PolarHBondContact O-N 3.27Å; K139-Q143 VanDerWaalsContact CE-NE2 3.29Å; K139-Q143 VanDerWaalsContact O-CG 3.31Å; K139-Q143 WeakPolarHBondContact O-CG 2.99Å; K139-Q143 PolarHBondContact O-N 3.24Å |
| 140 | Q | 92.8 | Very high | 90.3 | Very high | 11 Ų | 11 | 29.6 Ų | 29.6 | 5% | 0.051 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.1 | -35.5 | -174.9 | -71.8 | -175.9 | -29.8 | 0 | 0 | 112.3 | T44 D136 V138 Q143 L144 T231 N234 T235 | T44-Q140 HydrophobicContact CG2-CB 4.2Å; T44-Q140 HydrophobicContact CG2-CG 4.44Å; D136-Q140 WeakPolarHBondContact O-CB 3.27Å; D136-Q140 WeakPolarHBondContact O-CG 3.29Å; D136-Q140 PolarHBondContact O-N 3.48Å; V138-Q140 PolarHBondContact O-N 2.89Å; Q140-Q143 PolarHBondContact O-N 3.18Å; Q140-L144 PolarHBondContact O-N 2.84Å; Q140-T231 PolarHBondContact NE2-OG1 2.9Å; Q140-T231 VanDerWaalsContact NE2-OG1 3.13Å; Q140-N234 HydrophobicContact CB-CB 4.31Å; Q140-N234 PolarHBondContact OE1-ND2 3.47Å; Q140-T235 HydrophobicContact CB-CG2 3.97Å |
| 141 | R | 92.1 | Very high | 90 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 173.3 | -73.6 | 176.6 | 178.1 | -136.8 | -1.6 | 113.2 | A137 V138 K139 Q143 L144 S147 Y149 E163 N234 Q236 D237 | A137-R141 WeakPolarHBondContact O-CG 3.05Å; A137-R141 PolarHBondContact O-N 3.02Å; A137-R141 VanDerWaalsContact O-N 3.16Å; V138-R141 PolarHBondContact O-N 3.39Å; K139-R141 VanDerWaalsContact C-N 3.34Å; K139-R141 PolarHBondContact O-N 3.37Å; R141-Q143 VanDerWaalsContact C-N 3.33Å; R141-L144 WeakPolarHBondContact O-CB 3.5Å; R141-L144 PolarHBondContact O-N 3.24Å; R141-S147 WeakPolarHBondContact O-CB 3.36Å; R141-S147 PolarHBondContact O-OG 3.23Å; R141-Y149 HydrophobicContact CB-CD2 4.44Å; R141-Y149 HydrophobicContact CB-CE2 4.11Å; R141-E163 IonicContact CZ-OE1 2.73Å; R141-E163 IonicContact CZ-OE2 2.77Å; R141-E163 IonicContact NH1-OE1 3.4Å; R141-E163 PolarHBondContact NH1-OE1 3.27Å; R141-E163 IonicContact NH1-OE2 2.99Å; R141-E163 IonicContact NH2-OE1 2.73Å; R141-E163 IonicContact NH2-OE2 3.07Å; R141-E163 PolarHBondContact NH2-OE2 3.5Å; R141-N234 WeakPolarHBondContact CG-O 3.48Å; R141-N234 PolarHBondContact NE-O 3.34Å; R141-Q236 PolarHBondContact NH2-O 3.02Å; R141-D237 IonicContact NH1-OD1 3.38Å |
| 142 | L | 91.4 | Very high | 90 | Very high | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -71.5 | -28.9 | 174.4 | -77.6 | 162.1 | 0 | 0 | 0 | 112.8 | V138 K139 L144 C155 | V138-L142 HydrophobicContact CG1-CD1 3.85Å; V138-L142 PolarHBondContact O-N 3.33Å; K139-L142 PolarHBondContact O-N 3.27Å; L142-L144 PolarHBondContact O-N 2.89Å; L142-C155 HydrophobicContact CD1-CB 4.17Å; L142-C155 HydrophobicContact CD2-CB 4.31Å; L142-C155 HydrophobicContact CG-CB 4.13Å |
| 143 | Q | 91 | Very high | 90 | Very high | 2 Ų | 2 | 35.1 Ų | 35.1 | 1% | 0.009 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -9.8 | 176.8 | -74.7 | 178.8 | -20.9 | 0 | 0 | 113.8 | Y37 C41 T44 R45 K139 Q140 R141 | Y37-Q143 HydrophobicContact CE1-CG 4.2Å; C41-Q143 HydrophobicContact CB-CB 4.41Å; C41-Q143 HydrophobicContact CB-CG 4.15Å; C41-Q143 PolarHBondContact SG-O 2.92Å; T44-Q143 HydrophobicContact CG2-CB 3.96Å; T44-Q143 PolarHBondContact OG1-OE1 3.29Å; R45-Q143 WeakPolarHBondContact CG-O 3.2Å; R45-Q143 PolarHBondContact NE-O 3.47Å; K139-Q143 VanDerWaalsContact CE-NE2 3.29Å; K139-Q143 VanDerWaalsContact O-CG 3.31Å; K139-Q143 WeakPolarHBondContact O-CG 2.99Å; K139-Q143 PolarHBondContact O-N 3.24Å; Q140-Q143 PolarHBondContact O-N 3.18Å; R141-Q143 VanDerWaalsContact C-N 3.33Å |
| 144 | L | 88.4 | Confident | 89.9 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 11% | 0.11 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -64.2 | 145.1 | 175.2 | -67.7 | 175.4 | 0 | 0 | 0 | 111.7 | T44 C48 Q140 R141 L142 N146 S147 T235 D237 | T44-L144 HydrophobicContact CG2-CD2 4.49Å; C48-L144 WeakPolarHBondContact SG-CD2 3.27Å; Q140-L144 PolarHBondContact O-N 2.84Å; R141-L144 WeakPolarHBondContact O-CB 3.5Å; R141-L144 PolarHBondContact O-N 3.24Å; L142-L144 PolarHBondContact O-N 2.89Å; L144-N146 PolarHBondContact O-N 3.17Å; L144-S147 WeakPolarHBondContact O-CB 3.3Å; L144-S147 PolarHBondContact O-N 3.33Å; L144-T235 HydrophobicContact CD1-CG2 4.14Å; L144-T235 HydrophobicContact CD2-CG2 3.71Å; L144-T235 HydrophobicContact CG-CG2 4.03Å; L144-D237 WeakPolarHBondContact CD1-OD2 3.34Å |
| 145 | Y | 82.7 | Confident | 89.9 | Confident | 53 Ų | 53 | 35 Ų | 35 | 21% | 0.208 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | 132 | 174.4 | -176.7 | -104.8 | 0 | 0 | 0 | 110.3 | S55 S147 | S55-Y145 WeakPolarHBondContact OG-CB 3.47Å; Y145-S147 PolarHBondContact O-N 2.96Å |
| 146 | N | 81 | Confident | 89.9 | Confident | 117 Ų | 117 | 37.5 Ų | 37.5 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 41.9 | -173 | -70.6 | -27.5 | 0 | 0 | 0 | 113.3 | L144 | L144-N146 PolarHBondContact O-N 3.17Š|
| 147 | S | 84.6 | Confident | 90 | Very high | 29 Ų | 29 | 44.1 Ų | 44.1 | 20% | 0.203 | 21% | 0.213 | C | C | . | . | trans | -51.4 | 129.7 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 110.9 | R141 L144 Y145 Y149 | R141-S147 WeakPolarHBondContact O-CB 3.36Å; R141-S147 PolarHBondContact O-OG 3.23Å; L144-S147 WeakPolarHBondContact O-CB 3.3Å; L144-S147 PolarHBondContact O-N 3.33Å; Y145-S147 PolarHBondContact O-N 2.96Å; S147-Y149 PolarHBondContact O-N 3.4Å; S147-Y149 VanDerWaalsContact O-N 3.17Å; S147-Y149 WeakPolarHBondContact OG-CD2 3.3Å | ||
| 148 | P | 83.5 | Confident | 89.9 | Confident | 43 Ų | 43 | 48.7 Ų | 48.7 | 28% | 0.279 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -74.9 | -2.1 | -176.7 | 32 | -37.1 | 0 | 0 | 0 | 113.4 | R158 V240 | P148-R158 PolarHBondContact O-NH1 2.98Å; P148-V240 HydrophobicContact CG-CG2 4.22Å |
| 149 | Y | 88.5 | Confident | 89.8 | Confident | 10 Ų | 10 | 48.5 Ų | 48.5 | 4% | 0.039 | 23% | 0.229 | C | C | . | . | trans | -99.2 | 135.6 | -176 | -48.9 | -70.6 | 0 | 0 | 0 | 110.5 | R141 S147 C155 R158 V159 D237 | R141-Y149 HydrophobicContact CB-CD2 4.44Å; R141-Y149 HydrophobicContact CB-CE2 4.11Å; S147-Y149 PolarHBondContact O-N 3.4Å; S147-Y149 VanDerWaalsContact O-N 3.17Å; S147-Y149 WeakPolarHBondContact OG-CD2 3.3Å; Y149-C155 HydrophobicContact CD1-CB 4Å; Y149-C155 HydrophobicContact CD2-CB 4.1Å; Y149-C155 VanDerWaalsContact CD2-SG 3.53Å; Y149-C155 HydrophobicContact CG-CB 3.66Å; Y149-R158 HydrophobicContact CD1-CB 4.26Å; Y149-R158 HydrophobicContact CE1-CB 3.9Å; Y149-V159 HydrophobicContact CE1-CG2 4.24Å; Y149-D237 PolarHBondContact OH-OD1 3.06Å; Y149-D237 VanDerWaalsContact OH-OD1 3.06Å | ||
| 150 | H | 86.7 | Confident | 89.8 | Confident | 140 Ų | 140 | 49.4 Ų | 49.4 | 65% | 0.648 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -79.2 | -40.2 | -177.8 | -180 | -102.2 | 0 | 0 | 0 | 112.7 | D154 | H150-D154 PolarHBondContact N-OD2 3.12Š|
| 151 | N | 89.3 | Confident | 89.7 | Confident | 67 Ų | 67 | 54.9 Ų | 54.9 | 36% | 0.358 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -151.2 | 175.1 | -177.9 | 62.3 | 40.5 | 0 | 0 | 0 | 111.4 | F153 D154 C155 | N151-F153 VanDerWaalsContact C-N 3.34Å; N151-F153 PolarHBondContact O-N 3.48Å; N151-F153 PolarHBondContact OD1-N 3.14Å; N151-D154 PolarHBondContact O-N 3.08Å; N151-D154 VanDerWaalsContact OD1-CB 3.29Å; N151-D154 WeakPolarHBondContact OD1-CB 3.4Å; N151-D154 PolarHBondContact OD1-N 3.2Å; N151-C155 WeakPolarHBondContact O-CB 3.41Å; N151-C155 PolarHBondContact O-N 3.48Å |
| 152 | T | 91.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 58.9 Ų | 58.9 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -51.5 | -46.9 | 178.4 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | A82 V138 C155 L156 | A82-T152 HydrophobicContact CB-CG2 3.62Å; A82-T152 PolarHBondContact N-OG1 3.36Å; A82-T152 VanDerWaalsContact N-OG1 3.14Å; V138-T152 HydrophobicContact CG1-CG2 3.91Å; T152-C155 PolarHBondContact O-N 3.16Å; T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.28Å |
| 153 | F | 92.9 | Very high | 89.3 | Confident | 126 Ų | 126 | 59.4 Ų | 59.4 | 55% | 0.553 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -71.9 | -38.7 | -177.2 | -67.3 | -70.2 | 0 | 0 | 0 | 112.7 | W85 N151 L156 R157 | W85-F153 AromaticContact NE1-CZ 3.78Å; N151-F153 VanDerWaalsContact C-N 3.34Å; N151-F153 PolarHBondContact O-N 3.48Å; N151-F153 PolarHBondContact OD1-N 3.14Å; F153-L156 PolarHBondContact O-N 3.32Å; F153-R157 WeakPolarHBondContact O-CB 3.41Å; F153-R157 PolarHBondContact O-N 3.32Å |
| 154 | D | 92.6 | Very high | 89.2 | Confident | 25 Ų | 25 | 60.6 Ų | 60.6 | 13% | 0.134 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -44.1 | 174.1 | -179.5 | 52.9 | 0 | 0 | 0 | 110.8 | H150 N151 R158 | H150-D154 PolarHBondContact N-OD2 3.12Å; N151-D154 PolarHBondContact O-N 3.08Å; N151-D154 VanDerWaalsContact OD1-CB 3.29Å; N151-D154 WeakPolarHBondContact OD1-CB 3.4Å; N151-D154 PolarHBondContact OD1-N 3.2Å; D154-R158 WeakPolarHBondContact O-CB 3.33Å; D154-R158 VanDerWaalsContact O-CG 3.29Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-N 3.19Å; D154-R158 IonicContact OD1-CZ 3.1Å; D154-R158 IonicContact OD1-NE 3.77Å; D154-R158 PolarHBondContact OD1-NE 2.87Å; D154-R158 IonicContact OD1-NH2 3.74Å; D154-R158 PolarHBondContact OD1-NH2 3.41Å; D154-R158 IonicContact OD2-CZ 2.83Å; D154-R158 VanDerWaalsContact OD2-CZ 3.24Å; D154-R158 IonicContact OD2-NE 2.84Å; D154-R158 PolarHBondContact OD2-NE 3.41Å; D154-R158 IonicContact OD2-NH1 2.97Å; D154-R158 IonicContact OD2-NH2 3.81Å; D154-R158 PolarHBondContact OD2-NH2 3.46Å |
| 155 | C | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.5 | -57.9 | 173.1 | -172.8 | 0 | 0 | 0 | 0 | 110.9 | V138 L142 Y149 N151 T152 R157 R158 V159 | V138-C155 HydrophobicContact CG1-CB 3.94Å; L142-C155 HydrophobicContact CD1-CB 4.17Å; L142-C155 HydrophobicContact CD2-CB 4.31Å; L142-C155 HydrophobicContact CG-CB 4.13Å; Y149-C155 HydrophobicContact CD1-CB 4Å; Y149-C155 HydrophobicContact CD2-CB 4.1Å; Y149-C155 VanDerWaalsContact CD2-SG 3.53Å; Y149-C155 HydrophobicContact CG-CB 3.66Å; N151-C155 WeakPolarHBondContact O-CB 3.41Å; N151-C155 PolarHBondContact O-N 3.48Å; T152-C155 PolarHBondContact O-N 3.16Å; C155-R157 VanDerWaalsContact C-N 3.35Å; C155-R157 PolarHBondContact O-N 3.05Å; C155-R158 PolarHBondContact O-N 2.88Å; C155-V159 WeakPolarHBondContact O-CB 3.5Å; C155-V159 WeakPolarHBondContact O-CG2 3.32Å; C155-V159 PolarHBondContact O-N 3.33Å |
| 156 | L | 93.5 | Very high | 89.7 | Confident | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.346 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -53.9 | -50.9 | -179.8 | -179.9 | 63.9 | 0 | 0 | 0 | 111.6 | V138 T152 F153 R158 V159 C160 L168 | V138-L156 HydrophobicContact CG2-CB 4.24Å; V138-L156 HydrophobicContact CG2-CD1 4.1Å; T152-L156 WeakPolarHBondContact O-CB 3.38Å; T152-L156 PolarHBondContact O-N 3.28Å; F153-L156 PolarHBondContact O-N 3.32Å; L156-R158 PolarHBondContact O-N 3.44Å; L156-V159 PolarHBondContact O-N 3.38Å; L156-C160 WeakPolarHBondContact O-CB 3.34Å; L156-C160 PolarHBondContact O-N 3.05Å; L156-C160 PolarHBondContact O-SG 3.26Å; L156-L168 HydrophobicContact CD1-CD1 3.76Å |
| 157 | R | 94.5 | Very high | 90.1 | Very high | 164 Ų | 164 | 60.3 Ų | 60.3 | 62% | 0.619 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.3 | -50.6 | -179.7 | 179.1 | 176.8 | 177.5 | -106.2 | 0.3 | 111.7 | F153 C155 C160 L161 | F153-R157 WeakPolarHBondContact O-CB 3.41Å; F153-R157 PolarHBondContact O-N 3.32Å; C155-R157 VanDerWaalsContact C-N 3.35Å; C155-R157 PolarHBondContact O-N 3.05Å; R157-C160 PolarHBondContact O-N 2.88Å; R157-L161 HydrophobicContact CG-CD1 3.73Å; R157-L161 HydrophobicContact CG-CG 4.42Å; R157-L161 WeakPolarHBondContact O-CB 3.34Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.8Å |
| 158 | R | 92.4 | Very high | 90.5 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 36% | 0.362 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | -178.6 | -72.4 | -173.8 | -162.1 | -178.3 | 6.9 | 111.5 | P148 Y149 D154 C155 L156 L161 T162 | P148-R158 PolarHBondContact O-NH1 2.98Å; Y149-R158 HydrophobicContact CD1-CB 4.26Å; Y149-R158 HydrophobicContact CE1-CB 3.9Å; D154-R158 WeakPolarHBondContact O-CB 3.33Å; D154-R158 VanDerWaalsContact O-CG 3.29Å; D154-R158 WeakPolarHBondContact O-CG 3.43Å; D154-R158 PolarHBondContact O-N 3.19Å; D154-R158 IonicContact OD1-CZ 3.1Å; D154-R158 IonicContact OD1-NE 3.77Å; D154-R158 PolarHBondContact OD1-NE 2.87Å; D154-R158 IonicContact OD1-NH2 3.74Å; D154-R158 PolarHBondContact OD1-NH2 3.41Å; D154-R158 IonicContact OD2-CZ 2.83Å; D154-R158 VanDerWaalsContact OD2-CZ 3.24Å; D154-R158 IonicContact OD2-NE 2.84Å; D154-R158 PolarHBondContact OD2-NE 3.41Å; D154-R158 IonicContact OD2-NH1 2.97Å; D154-R158 IonicContact OD2-NH2 3.81Å; D154-R158 PolarHBondContact OD2-NH2 3.46Å; C155-R158 PolarHBondContact O-N 2.88Å; L156-R158 PolarHBondContact O-N 3.44Å; R158-L161 PolarHBondContact O-N 3.44Å; R158-T162 VanDerWaalsContact O-CB 3.29Å; R158-T162 WeakPolarHBondContact O-CB 3.33Å; R158-T162 VanDerWaalsContact O-CG2 3.31Å; R158-T162 WeakPolarHBondContact O-CG2 3.31Å; R158-T162 PolarHBondContact O-N 3.46Å; R158-T162 PolarHBondContact O-OG1 2.91Å |
| 159 | V | 91.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 178.2 | 174.8 | 0 | 0 | 0 | 0 | 111 | Y149 C155 L156 L161 T162 E163 G164 L168 | Y149-V159 HydrophobicContact CE1-CG2 4.24Å; C155-V159 WeakPolarHBondContact O-CB 3.5Å; C155-V159 WeakPolarHBondContact O-CG2 3.32Å; C155-V159 PolarHBondContact O-N 3.33Å; L156-V159 PolarHBondContact O-N 3.38Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.13Å; V159-T162 PolarHBondContact O-N 2.94Å; V159-E163 WeakPolarHBondContact O-CA 3.5Å; V159-E163 PolarHBondContact O-N 3.41Å; V159-G164 PolarHBondContact O-N 2.93Å; V159-L168 HydrophobicContact CG1-CD2 3.95Å; V159-L168 HydrophobicContact CG1-CG 4.46Å |
| 160 | C | 92 | Very high | 91.2 | Very high | 35 Ų | 35 | 63.7 Ų | 63.7 | 24% | 0.236 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61 | -41.4 | 177.3 | -66.7 | 0 | 0 | 0 | 0 | 112.5 | L156 R157 G164 L165 | L156-C160 WeakPolarHBondContact O-CB 3.34Å; L156-C160 PolarHBondContact O-N 3.05Å; L156-C160 PolarHBondContact O-SG 3.26Å; R157-C160 PolarHBondContact O-N 2.88Å; C160-G164 VanDerWaalsContact O-CA 3.31Å; C160-G164 WeakPolarHBondContact O-CA 3.43Å; C160-G164 PolarHBondContact O-N 3.32Å; C160-L165 HydrophobicContact CB-CD2 4.09Å; C160-L165 WeakPolarHBondContact SG-CD2 3.48Å |
| 161 | L | 91 | Very high | 91.4 | Very high | 126 Ų | 126 | 57.1 Ų | 57.1 | 66% | 0.66 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -76.7 | -32.9 | -178.9 | -69.8 | 175.1 | 0 | 0 | 0 | 113.6 | R157 R158 V159 | R157-L161 HydrophobicContact CG-CD1 3.73Å; R157-L161 HydrophobicContact CG-CG 4.42Å; R157-L161 WeakPolarHBondContact O-CB 3.34Å; R157-L161 VanDerWaalsContact O-CG 3.24Å; R157-L161 WeakPolarHBondContact O-CG 3.37Å; R157-L161 PolarHBondContact O-N 2.8Å; R158-L161 PolarHBondContact O-N 3.44Å; V159-L161 VanDerWaalsContact C-N 3.34Å; V159-L161 PolarHBondContact O-N 3.13Å |
| 162 | T | 88.6 | Confident | 91.6 | Very high | 84 Ų | 84 | 56.7 Ų | 56.7 | 52% | 0.515 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -99.3 | -32.5 | -172.8 | 60.5 | 0 | 0 | 0 | 0 | 114 | R158 V159 | R158-T162 VanDerWaalsContact O-CB 3.29Å; R158-T162 WeakPolarHBondContact O-CB 3.33Å; R158-T162 VanDerWaalsContact O-CG2 3.31Å; R158-T162 WeakPolarHBondContact O-CG2 3.31Å; R158-T162 PolarHBondContact O-N 3.46Å; R158-T162 PolarHBondContact O-OG1 2.91Å; V159-T162 PolarHBondContact O-N 2.94Å |
| 163 | E | 86.5 | Confident | 91.7 | Very high | 22 Ų | 22 | 62.3 Ų | 62.3 | 10% | 0.103 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.4 | -20.9 | -176.5 | -51.9 | -172.2 | -149.8 | 0 | 0 | 113.3 | R141 V159 V167 R238 | R141-E163 IonicContact CZ-OE1 2.73Å; R141-E163 IonicContact CZ-OE2 2.77Å; R141-E163 IonicContact NH1-OE1 3.4Å; R141-E163 PolarHBondContact NH1-OE1 3.27Å; R141-E163 IonicContact NH1-OE2 2.99Å; R141-E163 IonicContact NH2-OE1 2.73Å; R141-E163 IonicContact NH2-OE2 3.07Å; R141-E163 PolarHBondContact NH2-OE2 3.5Å; V159-E163 WeakPolarHBondContact O-CA 3.5Å; V159-E163 PolarHBondContact O-N 3.41Å; E163-V167 HydrophobicContact CB-CB 4.29Å; E163-V167 HydrophobicContact CB-CG2 3.63Å; E163-V167 WeakPolarHBondContact O-CG2 3.36Å; E163-V167 WeakPolarHBondContact OE2-CG1 3.38Å; E163-R238 HydrophobicContact CG-CB 4.27Å; E163-R238 HydrophobicContact CG-CG 4.36Å |
| 164 | G | 89.3 | Confident | 91.7 | Very high | 28 Ų | 28 | 56.3 Ų | 56.3 | 29% | 0.289 | 29% | 0.285 | S | S | . | . | trans | 91.8 | 159.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | V159 C160 G166 V167 | V159-G164 PolarHBondContact O-N 2.93Å; C160-G164 VanDerWaalsContact O-CA 3.31Å; C160-G164 WeakPolarHBondContact O-CA 3.43Å; C160-G164 PolarHBondContact O-N 3.32Å; G164-G166 VanDerWaalsContact C-N 3.32Å; G164-G166 PolarHBondContact O-N 3.09Å; G164-V167 PolarHBondContact O-N 3.29Å | ||
| 165 | L | 91.3 | Very high | 91.7 | Very high | 119 Ų | 119 | 55.9 Ų | 55.9 | 62% | 0.623 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -62.2 | -34.7 | -175.7 | -69.1 | 167.6 | 0 | 0 | 0 | 113.6 | C160 V167 L168 | C160-L165 HydrophobicContact CB-CD2 4.09Å; C160-L165 WeakPolarHBondContact SG-CD2 3.48Å; L165-V167 PolarHBondContact O-N 3.03Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-L168 VanDerWaalsContact O-N 3.16Å |
| 166 | G | 89.8 | Confident | 91.7 | Very high | 58 Ų | 58 | 57.3 Ų | 57.3 | 60% | 0.598 | 29% | 0.289 | S | S | * | . | G | 310 helix | trans | -63.5 | -14.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | G164 Y169 | G164-G166 VanDerWaalsContact C-N 3.32Å; G164-G166 PolarHBondContact O-N 3.09Å; G166-Y169 PolarHBondContact O-N 2.88Å |
| 167 | V | 90.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 55.7 Ų | 55.7 | 4% | 0.042 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -69.7 | -36.1 | 176.2 | 179.5 | 0 | 0 | 0 | 0 | 112.4 | E163 G164 L165 Y169 R170 | E163-V167 HydrophobicContact CB-CB 4.29Å; E163-V167 HydrophobicContact CB-CG2 3.63Å; E163-V167 WeakPolarHBondContact O-CG2 3.36Å; E163-V167 WeakPolarHBondContact OE2-CG1 3.38Å; G164-V167 PolarHBondContact O-N 3.29Å; L165-V167 PolarHBondContact O-N 3.03Å; V167-Y169 PolarHBondContact O-N 2.77Å; V167-Y169 VanDerWaalsContact O-N 3.12Å; V167-R170 WeakPolarHBondContact O-CB 3.46Å; V167-R170 WeakPolarHBondContact O-CG 3.23Å; V167-R170 PolarHBondContact O-N 2.95Å; V167-R170 VanDerWaalsContact O-N 3.14Å |
| 168 | L | 92.8 | Very high | 91.5 | Very high | 6 Ų | 6 | 48.5 Ų | 48.5 | 3% | 0.031 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -22.4 | -179.9 | -63.4 | 173.9 | 0 | 0 | 0 | 112 | T133 P134 A137 V138 L156 V159 L165 | T133-L168 VanDerWaalsContact CG2-O 3.23Å; T133-L168 WeakPolarHBondContact CG2-O 3.48Å; P134-L168 HydrophobicContact CB-CB 4.08Å; P134-L168 HydrophobicContact CB-CD1 4.21Å; P134-L168 HydrophobicContact CG-CB 4.34Å; A137-L168 HydrophobicContact CB-CD2 3.91Å; V138-L168 HydrophobicContact CG2-CD2 4.15Å; L156-L168 HydrophobicContact CD1-CD1 3.76Å; V159-L168 HydrophobicContact CG1-CD2 3.95Å; V159-L168 HydrophobicContact CG1-CG 4.46Å; L165-L168 PolarHBondContact O-N 2.97Å; L165-L168 VanDerWaalsContact O-N 3.16Å |
| 169 | Y | 94.7 | Very high | 91.5 | Very high | 111 Ų | 111 | 45.7 Ų | 45.7 | 44% | 0.435 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.3 | -179 | -73.2 | -85 | 0 | 0 | 0 | 114.6 | A130 T133 P134 G166 V167 A171 Y172 | A130-Y169 WeakPolarHBondContact O-CE1 3.33Å; A130-Y169 PolarHBondContact O-OH 3.23Å; T133-Y169 HydrophobicContact CG2-CD1 4.3Å; P134-Y169 HydrophobicContact CG-CD2 4.48Å; P134-Y169 HydrophobicContact CG-CE1 4.08Å; P134-Y169 HydrophobicContact CG-CE2 3.72Å; P134-Y169 VanDerWaalsContact CG-CZ 3.47Å; P134-Y169 WeakPolarHBondContact CG-OH 3.36Å; G166-Y169 PolarHBondContact O-N 2.88Å; V167-Y169 PolarHBondContact O-N 2.77Å; V167-Y169 VanDerWaalsContact O-N 3.12Å; Y169-A171 PolarHBondContact O-N 2.94Å; Y169-Y172 WeakPolarHBondContact O-CB 3.2Å; Y169-Y172 PolarHBondContact O-N 3.41Å; Y169-Y172 VanDerWaalsContact O-N 3.08Å |
| 170 | R | 90.8 | Very high | 91.4 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -33.2 | -177.4 | -78.6 | -178.5 | -175.7 | 161.6 | 14.9 | 113.7 | V167 L233 | V167-R170 WeakPolarHBondContact O-CB 3.46Å; V167-R170 WeakPolarHBondContact O-CG 3.23Å; V167-R170 PolarHBondContact O-N 2.95Å; V167-R170 VanDerWaalsContact O-N 3.14Å; R170-L233 HydrophobicContact CB-CD2 4.49Å |
| 171 | A | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.008 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | -0.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y169 F173 T174 Q175 K230 L233 N234 | Y169-A171 PolarHBondContact O-N 2.94Å; A171-F173 PolarHBondContact O-N 3.38Å; A171-T174 WeakPolarHBondContact O-CB 3.28Å; A171-T174 PolarHBondContact O-N 3.07Å; A171-T174 VanDerWaalsContact O-N 3.13Å; A171-Q175 WeakPolarHBondContact O-CB 3.41Å; A171-Q175 PolarHBondContact O-N 2.91Å; A171-K230 HydrophobicContact CB-CG 4.13Å; A171-L233 HydrophobicContact CB-CB 3.96Å; A171-L233 HydrophobicContact CB-CD1 4.44Å; A171-N234 WeakPolarHBondContact CB-OD1 3.49Å |
| 172 | Y | 93.8 | Very high | 91.7 | Very high | 58 Ų | 58 | 49.1 Ų | 49.1 | 23% | 0.227 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -55.5 | -50.4 | -175.1 | 179.8 | -118.4 | 0 | 0 | 0 | 112.4 | L126 D129 A130 T133 Y169 T174 Q175 L176 | L126-Y172 PolarHBondContact O-OH 3.31Å; D129-Y172 HydrophobicContact CB-CE2 3.9Å; A130-Y172 HydrophobicContact CB-CE2 3.98Å; T133-Y172 WeakPolarHBondContact OG1-CD2 3.33Å; Y169-Y172 WeakPolarHBondContact O-CB 3.2Å; Y169-Y172 PolarHBondContact O-N 3.41Å; Y169-Y172 VanDerWaalsContact O-N 3.08Å; Y172-T174 PolarHBondContact O-N 3.37Å; Y172-Q175 WeakPolarHBondContact O-CB 3.46Å; Y172-Q175 PolarHBondContact O-N 3.05Å; Y172-L176 HydrophobicContact CD1-CD1 4.22Å; Y172-L176 HydrophobicContact CE1-CD1 3.69Å; Y172-L176 HydrophobicContact CE2-CD1 4.16Å; Y172-L176 HydrophobicContact CE2-CD2 4.4Å; Y172-L176 HydrophobicContact CE2-CG 4.26Å; Y172-L176 WeakPolarHBondContact O-CG 3.42Å; Y172-L176 PolarHBondContact O-N 2.92Å |
| 173 | F | 92.8 | Very high | 91.9 | Very high | 139 Ų | 139 | 50.8 Ų | 50.8 | 61% | 0.61 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -64.9 | -39.5 | 178.4 | -178.8 | -98.1 | 0 | 0 | 0 | 112.7 | A171 Q175 L176 S177 | A171-F173 PolarHBondContact O-N 3.38Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 2.83Å; F173-L176 PolarHBondContact O-N 3.48Å; F173-S177 WeakPolarHBondContact CE1-OG 3.15Å; F173-S177 WeakPolarHBondContact O-CB 3.29Å; F173-S177 PolarHBondContact O-N 3.36Å; F173-S177 PolarHBondContact O-OG 2.99Å |
| 174 | T | 92.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.5 | -39.4 | 176.5 | -55 | 0 | 0 | 0 | 0 | 111.3 | A171 Y172 S177 M178 L226 C229 K230 L233 L260 | A171-T174 WeakPolarHBondContact O-CB 3.28Å; A171-T174 PolarHBondContact O-N 3.07Å; A171-T174 VanDerWaalsContact O-N 3.13Å; Y172-T174 PolarHBondContact O-N 3.37Å; T174-S177 PolarHBondContact O-N 2.9Å; T174-M178 VanDerWaalsContact O-CB 3.31Å; T174-M178 WeakPolarHBondContact O-CB 3.5Å; T174-M178 PolarHBondContact O-N 3.38Å; T174-L226 WeakPolarHBondContact CG2-O 3.43Å; T174-C229 HydrophobicContact CG2-CB 4.12Å; T174-K230 HydrophobicContact CG2-CB 4.03Å; T174-L233 HydrophobicContact CG2-CD1 4.5Å; T174-L233 VanDerWaalsContact OG1-CD1 3.25Å; T174-L233 WeakPolarHBondContact OG1-CD1 3.28Å; T174-L260 HydrophobicContact CG2-CD1 3.9Å |
| 175 | Q | 93 | Very high | 92.6 | Very high | 16 Ų | 16 | 54.2 Ų | 54.2 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.5 | -49.3 | 176.1 | 173.4 | 60.8 | 20.6 | 0 | 0 | 111.1 | A171 Y172 F173 S177 M178 N179 | A171-Q175 WeakPolarHBondContact O-CB 3.41Å; A171-Q175 PolarHBondContact O-N 2.91Å; Y172-Q175 WeakPolarHBondContact O-CB 3.46Å; Y172-Q175 PolarHBondContact O-N 3.05Å; F173-Q175 VanDerWaalsContact C-N 3.3Å; F173-Q175 PolarHBondContact O-N 2.83Å; Q175-S177 VanDerWaalsContact C-N 3.35Å; Q175-S177 PolarHBondContact O-N 3.07Å; Q175-M178 WeakPolarHBondContact O-CB 3.29Å; Q175-M178 PolarHBondContact O-N 2.73Å; Q175-M178 VanDerWaalsContact O-N 3.16Å; Q175-M178 VanDerWaalsContact OE1-CE 3.29Å; Q175-N179 PolarHBondContact NE2-ND2 3.48Å; Q175-N179 PolarHBondContact NE2-OD1 3.49Å; Q175-N179 WeakPolarHBondContact O-CB 3.34Å; Q175-N179 PolarHBondContact O-N 3.47Å |
| 176 | L | 92.2 | Very high | 92.8 | Very high | 29 Ų | 29 | 50.8 Ų | 50.8 | 15% | 0.152 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 176.3 | -67.4 | 176.9 | 0 | 0 | 0 | 112 | L126 D129 Y172 F173 M178 N179 I180 | L126-L176 HydrophobicContact CD2-CD1 3.62Å; L126-L176 HydrophobicContact CD2-CD2 3.74Å; L126-L176 HydrophobicContact CD2-CG 4.34Å; D129-L176 HydrophobicContact CB-CD2 4.01Å; D129-L176 WeakPolarHBondContact OD2-CD2 3.37Å; Y172-L176 HydrophobicContact CD1-CD1 4.22Å; Y172-L176 HydrophobicContact CE1-CD1 3.69Å; Y172-L176 HydrophobicContact CE2-CD1 4.16Å; Y172-L176 HydrophobicContact CE2-CD2 4.4Å; Y172-L176 HydrophobicContact CE2-CG 4.26Å; Y172-L176 WeakPolarHBondContact O-CG 3.42Å; Y172-L176 PolarHBondContact O-N 2.92Å; F173-L176 PolarHBondContact O-N 3.48Å; L176-M178 PolarHBondContact O-N 2.99Å; L176-N179 PolarHBondContact O-N 3.47Å; L176-I180 PolarHBondContact O-N 2.92Å |
| 177 | S | 92.4 | Very high | 93 | Very high | 33 Ų | 33 | 54 Ų | 54 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.2 | -23.3 | 178.6 | -56.6 | 0 | 0 | 0 | 0 | 112.8 | F173 T174 Q175 P181 L226 | F173-S177 WeakPolarHBondContact CE1-OG 3.15Å; F173-S177 WeakPolarHBondContact O-CB 3.29Å; F173-S177 PolarHBondContact O-N 3.36Å; F173-S177 PolarHBondContact O-OG 2.99Å; T174-S177 PolarHBondContact O-N 2.9Å; Q175-S177 VanDerWaalsContact C-N 3.35Å; Q175-S177 PolarHBondContact O-N 3.07Å; S177-P181 WeakPolarHBondContact O-CD 3.21Å; S177-P181 VanDerWaalsContact O-CG 3.31Å; S177-P181 WeakPolarHBondContact O-CG 3.15Å; S177-L226 WeakPolarHBondContact O-CD1 3.48Å |
| 178 | M | 92.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -87.2 | -42.2 | 176.3 | -175.8 | -171.2 | 74.4 | 0 | 0 | 112.4 | T174 Q175 L176 I180 P181 Y182 L226 D227 K230 | T174-M178 VanDerWaalsContact O-CB 3.31Å; T174-M178 WeakPolarHBondContact O-CB 3.5Å; T174-M178 PolarHBondContact O-N 3.38Å; Q175-M178 WeakPolarHBondContact O-CB 3.29Å; Q175-M178 PolarHBondContact O-N 2.73Å; Q175-M178 VanDerWaalsContact O-N 3.16Å; Q175-M178 VanDerWaalsContact OE1-CE 3.29Å; L176-M178 PolarHBondContact O-N 2.99Å; M178-I180 PolarHBondContact O-N 3.06Å; M178-P181 WeakPolarHBondContact O-CD 3.5Å; M178-Y182 WeakPolarHBondContact O-CB 3.39Å; M178-Y182 PolarHBondContact O-N 3.35Å; M178-Y182 VanDerWaalsContact O-N 3.08Å; M178-L226 HydrophobicContact CB-CB 3.88Å; M178-L226 HydrophobicContact CB-CD1 4.16Å; M178-L226 HydrophobicContact CG-CB 3.9Å; M178-D227 HydrophobicContact SD-CB 3.62Å; M178-K230 HydrophobicContact CE-CD 4.14Å |
| 179 | N | 91.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 59.1 Ų | 59.1 | 19% | 0.193 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.8 | -45.3 | -174.9 | -86.9 | -2.2 | 0 | 0 | 0 | 112 | D129 Q175 L176 Y182 Q183 | D129-N179 PolarHBondContact OD2-ND2 2.93Å; Q175-N179 PolarHBondContact NE2-ND2 3.48Å; Q175-N179 PolarHBondContact NE2-OD1 3.49Å; Q175-N179 WeakPolarHBondContact O-CB 3.34Å; Q175-N179 PolarHBondContact O-N 3.47Å; L176-N179 PolarHBondContact O-N 3.47Å; N179-Y182 PolarHBondContact O-N 3.03Å; N179-Q183 VanDerWaalsContact O-CG 3.28Å; N179-Q183 WeakPolarHBondContact O-CG 3.44Å; N179-Q183 PolarHBondContact O-N 3.44Å |
| 180 | I | 89.5 | Confident | 93.5 | Very high | 118 Ų | 118 | 55.1 Ų | 55.1 | 61% | 0.605 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61.4 | -55.2 | -177.2 | -62.9 | 167.4 | 0 | 0 | 0 | 111.1 | L176 M178 Y182 Q183 T184 | L176-I180 PolarHBondContact O-N 2.92Å; M178-I180 PolarHBondContact O-N 3.06Å; I180-Y182 VanDerWaalsContact C-N 3.3Å; I180-Y182 PolarHBondContact O-N 3.39Å; I180-Q183 PolarHBondContact O-N 2.9Å; I180-T184 PolarHBondContact O-N 2.73Å; I180-T184 PolarHBondContact O-OG1 2.94Å; I180-T184 VanDerWaalsContact O-OG1 3.09Å |
| 181 | P | 93.3 | Very high | 93.6 | Very high | 49 Ų | 49 | 56.2 Ų | 56.2 | 32% | 0.318 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.3 | -37.3 | 176.2 | -24.7 | 34.8 | 0 | 0 | 0 | 113.5 | S177 M178 T184 I185 T223 | S177-P181 WeakPolarHBondContact O-CD 3.21Å; S177-P181 VanDerWaalsContact O-CG 3.31Å; S177-P181 WeakPolarHBondContact O-CG 3.15Å; M178-P181 WeakPolarHBondContact O-CD 3.5Å; P181-T184 PolarHBondContact O-N 2.86Å; P181-I185 WeakPolarHBondContact O-CB 3.12Å; P181-I185 VanDerWaalsContact O-CG1 3.24Å; P181-I185 WeakPolarHBondContact O-CG1 3.44Å; P181-I185 PolarHBondContact O-N 3.16Å; P181-T223 HydrophobicContact CB-CG2 4.02Å |
| 182 | Y | 95.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 61.8 Ų | 61.8 | 26% | 0.263 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.8 | -51.2 | 178 | -178.7 | -90.5 | 0 | 0 | 0 | 110.6 | M178 N179 I180 H186 A219 | M178-Y182 WeakPolarHBondContact O-CB 3.39Å; M178-Y182 PolarHBondContact O-N 3.35Å; M178-Y182 VanDerWaalsContact O-N 3.08Å; N179-Y182 PolarHBondContact O-N 3.03Å; I180-Y182 VanDerWaalsContact C-N 3.3Å; I180-Y182 PolarHBondContact O-N 3.39Å; Y182-H186 WeakPolarHBondContact O-CB 3.45Å; Y182-H186 PolarHBondContact O-N 2.69Å; Y182-A219 HydrophobicContact CD2-CB 3.67Å; Y182-A219 HydrophobicContact CE2-CB 3.67Å; Y182-A219 HydrophobicContact CG-CB 4.23Å |
| 183 | Q | 92.9 | Very high | 93.8 | Very high | 118 Ų | 118 | 59.3 Ų | 59.3 | 55% | 0.551 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -66.7 | -40.9 | -178 | -63.2 | -67.9 | 40.9 | 0 | 0 | 112.2 | N179 I180 H186 F187 | N179-Q183 VanDerWaalsContact O-CG 3.28Å; N179-Q183 WeakPolarHBondContact O-CG 3.44Å; N179-Q183 PolarHBondContact O-N 3.44Å; I180-Q183 PolarHBondContact O-N 2.9Å; Q183-H186 PolarHBondContact O-N 3.12Å; Q183-F187 WeakPolarHBondContact O-CB 3.47Å; Q183-F187 PolarHBondContact O-N 2.93Å |
| 184 | T | 94.6 | Very high | 93.8 | Very high | 83 Ų | 83 | 52.8 Ų | 52.8 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 177.7 | -57.2 | 0 | 0 | 0 | 0 | 111.8 | I180 P181 F187 V188 | I180-T184 PolarHBondContact O-N 2.73Å; I180-T184 PolarHBondContact O-OG1 2.94Å; I180-T184 VanDerWaalsContact O-OG1 3.09Å; P181-T184 PolarHBondContact O-N 2.86Å; T184-F187 PolarHBondContact O-N 3.48Å; T184-V188 WeakPolarHBondContact O-CG2 3.21Å; T184-V188 PolarHBondContact O-N 2.82Å |
| 185 | I | 96 | Very high | 93.9 | Very high | 39 Ų | 39 | 55.4 Ų | 55.4 | 20% | 0.2 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.9 | -43.6 | -180 | -65.2 | 168.7 | 0 | 0 | 0 | 110.1 | P181 F187 V188 C189 F218 A219 F222 | P181-I185 WeakPolarHBondContact O-CB 3.12Å; P181-I185 VanDerWaalsContact O-CG1 3.24Å; P181-I185 WeakPolarHBondContact O-CG1 3.44Å; P181-I185 PolarHBondContact O-N 3.16Å; I185-F187 PolarHBondContact O-N 3.26Å; I185-V188 PolarHBondContact O-N 2.85Å; I185-C189 VanDerWaalsContact O-CB 3.27Å; I185-C189 WeakPolarHBondContact O-CB 3.23Å; I185-C189 PolarHBondContact O-N 3.04Å; I185-C189 PolarHBondContact O-SG 3.04Å; I185-C189 VanDerWaalsContact O-SG 3.33Å; I185-F218 HydrophobicContact CG2-CB 4.22Å; I185-A219 HydrophobicContact CB-CB 4.21Å; I185-A219 HydrophobicContact CG2-CB 4.06Å; I185-F222 HydrophobicContact CD1-CB 3.51Å; I185-F222 HydrophobicContact CD1-CD2 4.23Å; I185-F222 HydrophobicContact CD1-CG 3.86Å; I185-F222 HydrophobicContact CG2-CD2 4.38Å |
| 186 | H | 95.4 | Very high | 93.9 | Very high | 48 Ų | 48 | 60.5 Ų | 60.5 | 22% | 0.222 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.3 | -51.3 | 177.2 | -178.4 | -81.1 | 0 | 0 | 0 | 110.9 | Y182 Q183 C189 Y190 A215 A219 | Y182-H186 WeakPolarHBondContact O-CB 3.45Å; Y182-H186 PolarHBondContact O-N 2.69Å; Q183-H186 PolarHBondContact O-N 3.12Å; H186-C189 PolarHBondContact O-N 2.63Å; H186-Y190 WeakPolarHBondContact O-CB 3.39Å; H186-Y190 PolarHBondContact O-N 3.37Å; H186-A215 VanDerWaalsContact O-CB 3.32Å; H186-A215 WeakPolarHBondContact O-CB 3.39Å; H186-A219 HydrophobicContact CB-CB 3.95Å |
| 187 | F | 94.5 | Very high | 94 | Very high | 126 Ų | 126 | 61.6 Ų | 61.6 | 55% | 0.553 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.6 | -48.3 | -179.4 | -175.2 | -99 | 0 | 0 | 0 | 112.6 | Q183 T184 I185 C189 Y190 E191 | Q183-F187 WeakPolarHBondContact O-CB 3.47Å; Q183-F187 PolarHBondContact O-N 2.93Å; T184-F187 PolarHBondContact O-N 3.48Å; I185-F187 PolarHBondContact O-N 3.26Å; F187-C189 PolarHBondContact O-N 3.29Å; F187-Y190 PolarHBondContact O-N 2.86Å; F187-E191 HydrophobicContact CD1-CG 4.33Å; F187-E191 HydrophobicContact CE1-CG 3.88Å; F187-E191 HydrophobicContact CE2-CG 4.16Å; F187-E191 HydrophobicContact CZ-CG 3.78Å; F187-E191 WeakPolarHBondContact O-CG 3.42Å; F187-E191 PolarHBondContact O-N 2.88Å |
| 188 | V | 96.8 | Very high | 93.9 | Very high | 89 Ų | 89 | 60.4 Ų | 60.4 | 54% | 0.539 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.3 | -45.1 | -179.9 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | T184 I185 Y190 H192 | T184-V188 WeakPolarHBondContact O-CG2 3.21Å; T184-V188 PolarHBondContact O-N 2.82Å; I185-V188 PolarHBondContact O-N 2.85Å; V188-Y190 VanDerWaalsContact C-N 3.35Å; V188-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.4Å |
| 189 | C | 96.2 | Very high | 93.8 | Very high | 30 Ų | 30 | 64 Ų | 64 | 20% | 0.203 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -35.7 | 178.1 | -70 | 0 | 0 | 0 | 0 | 112.1 | I185 H186 F187 A193 A215 | I185-C189 VanDerWaalsContact O-CB 3.27Å; I185-C189 WeakPolarHBondContact O-CB 3.23Å; I185-C189 PolarHBondContact O-N 3.04Å; I185-C189 PolarHBondContact O-SG 3.04Å; I185-C189 VanDerWaalsContact O-SG 3.33Å; H186-C189 PolarHBondContact O-N 2.63Å; F187-C189 PolarHBondContact O-N 3.29Å; C189-A193 VanDerWaalsContact O-CB 3.29Å; C189-A193 WeakPolarHBondContact O-CB 3.45Å; C189-A193 PolarHBondContact O-N 2.86Å; C189-A215 HydrophobicContact CB-CB 3.87Å |
| 190 | Y | 94.6 | Very high | 93.6 | Very high | 27 Ų | 27 | 68.1 Ų | 68.1 | 11% | 0.106 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.1 | -50.7 | 176.4 | 170.2 | -96.9 | 0 | 0 | 0 | 111 | E10 H186 F187 V188 H192 A193 Q194 H208 S211 | E10-Y190 PolarHBondContact OE1-OH 3.31Å; H186-Y190 WeakPolarHBondContact O-CB 3.39Å; H186-Y190 PolarHBondContact O-N 3.37Å; F187-Y190 PolarHBondContact O-N 2.86Å; V188-Y190 VanDerWaalsContact C-N 3.35Å; Y190-H192 VanDerWaalsContact C-N 3.3Å; Y190-H192 PolarHBondContact O-N 2.84Å; Y190-A193 PolarHBondContact O-N 3.34Å; Y190-Q194 HydrophobicContact CD1-CG 4.41Å; Y190-Q194 HydrophobicContact CD2-CG 4.31Å; Y190-Q194 HydrophobicContact CE1-CG 3.99Å; Y190-Q194 HydrophobicContact CE2-CG 3.86Å; Y190-Q194 WeakPolarHBondContact O-CB 3.31Å; Y190-Q194 PolarHBondContact O-N 3.23Å; Y190-Q194 PolarHBondContact OH-NE2 3.39Å; Y190-H208 AromaticContact CZ-ND1 3.97Å; Y190-H208 PolarHBondContact OH-CE1 3.29Å; Y190-H208 PolarHBondContact OH-ND1 3.11Å; Y190-S211 WeakPolarHBondContact CD2-OG 3.34Å; Y190-S211 VanDerWaalsContact CE2-OG 3.23Å; Y190-S211 WeakPolarHBondContact CE2-OG 3.24Å |
| 191 | E | 94.1 | Very high | 93.4 | Very high | 60 Ų | 60 | 68.2 Ų | 68.2 | 28% | 0.28 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.2 | -40.7 | 178.3 | -74.3 | -54.5 | 132.7 | 0 | 0 | 111.8 | F187 Q194 S195 R201 | F187-E191 HydrophobicContact CD1-CG 4.33Å; F187-E191 HydrophobicContact CE1-CG 3.88Å; F187-E191 HydrophobicContact CE2-CG 4.16Å; F187-E191 HydrophobicContact CZ-CG 3.78Å; F187-E191 WeakPolarHBondContact O-CG 3.42Å; F187-E191 PolarHBondContact O-N 2.88Å; E191-Q194 PolarHBondContact O-N 2.92Å; E191-S195 WeakPolarHBondContact O-CB 3.32Å; E191-S195 PolarHBondContact O-N 2.67Å; E191-R201 IonicContact OE1-NH1 3.56Å; E191-R201 IonicContact OE2-CZ 2.69Å; E191-R201 IonicContact OE2-NH1 3.78Å; E191-R201 PolarHBondContact OE2-NH1 3.35Å; E191-R201 IonicContact OE2-NH2 3.22Å; E191-R201 PolarHBondContact OE2-NH2 3.03Å |
| 192 | H | 95.4 | Very high | 93 | Very high | 118 Ų | 118 | 71.3 Ų | 71.3 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.6 | -47.6 | 174.9 | -173.9 | 62 | 0 | 0 | 0 | 111.9 | V188 Y190 Q194 S195 L196 | V188-H192 WeakPolarHBondContact O-CB 3.39Å; V188-H192 PolarHBondContact O-N 3.4Å; Y190-H192 VanDerWaalsContact C-N 3.3Å; Y190-H192 PolarHBondContact O-N 2.84Å; H192-Q194 PolarHBondContact O-N 3.2Å; H192-S195 PolarHBondContact O-N 2.63Å; H192-S195 PolarHBondContact O-OG 3.46Å; H192-L196 WeakPolarHBondContact O-CG 3.24Å; H192-L196 PolarHBondContact O-N 2.92Å |
| 193 | A | 95 | Very high | 92 | Very high | 7 Ų | 7 | 74.1 Ų | 74.1 | 6% | 0.058 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.1 | C189 Y190 L196 I197 | C189-A193 VanDerWaalsContact O-CB 3.29Å; C189-A193 WeakPolarHBondContact O-CB 3.45Å; C189-A193 PolarHBondContact O-N 2.86Å; Y190-A193 PolarHBondContact O-N 3.34Å; A193-L196 PolarHBondContact O-N 3.46Å; A193-I197 WeakPolarHBondContact O-CB 3.37Å; A193-I197 WeakPolarHBondContact O-CG1 3.4Å; A193-I197 PolarHBondContact O-N 3.41Å |
| 194 | Q | 92.8 | Very high | 91.6 | Very high | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64 | -39.3 | 175.1 | -79.7 | -74.7 | 43.8 | 0 | 0 | 112.1 | Y190 E191 H192 L196 I197 N198 H208 | Y190-Q194 HydrophobicContact CD1-CG 4.41Å; Y190-Q194 HydrophobicContact CD2-CG 4.31Å; Y190-Q194 HydrophobicContact CE1-CG 3.99Å; Y190-Q194 HydrophobicContact CE2-CG 3.86Å; Y190-Q194 WeakPolarHBondContact O-CB 3.31Å; Y190-Q194 PolarHBondContact O-N 3.23Å; Y190-Q194 PolarHBondContact OH-NE2 3.39Å; E191-Q194 PolarHBondContact O-N 2.92Å; H192-Q194 PolarHBondContact O-N 3.2Å; Q194-L196 PolarHBondContact O-N 2.97Å; Q194-I197 PolarHBondContact O-N 3.4Å; Q194-N198 CarbonylContact O-C 3.16Å; Q194-N198 WeakPolarHBondContact O-CA 3.26Å; Q194-N198 PolarHBondContact O-N 2.89Å; Q194-H208 PolarHBondContact NE2-CE1 2.86Å; Q194-H208 VanDerWaalsContact NE2-CE1 3.29Å; Q194-H208 PolarHBondContact NE2-ND1 3.04Å |
| 195 | S | 93.3 | Very high | 91 | Very high | 57 Ų | 57 | 69 Ų | 69 | 40% | 0.399 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.2 | -29 | 176.2 | 76.2 | 0 | 0 | 0 | 0 | 113.2 | E191 H192 | E191-S195 WeakPolarHBondContact O-CB 3.32Å; E191-S195 PolarHBondContact O-N 2.67Å; H192-S195 PolarHBondContact O-N 2.63Å; H192-S195 PolarHBondContact O-OG 3.46Å |
| 196 | L | 94.4 | Very high | 90.7 | Very high | 122 Ų | 122 | 74 Ų | 74 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -87.1 | -43.5 | 179 | -64.1 | 175.8 | 0 | 0 | 0 | 112.8 | H192 A193 Q194 | H192-L196 WeakPolarHBondContact O-CG 3.24Å; H192-L196 PolarHBondContact O-N 2.92Å; A193-L196 PolarHBondContact O-N 3.46Å; Q194-L196 PolarHBondContact O-N 2.97Å |
| 197 | I | 92.8 | Very high | 90.4 | Very high | 53 Ų | 53 | 71.7 Ų | 71.7 | 27% | 0.272 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -85.9 | -38 | -172.5 | -62 | 170.1 | 0 | 0 | 0 | 111.3 | A193 Q194 W206 T207 V210 I214 | A193-I197 WeakPolarHBondContact O-CB 3.37Å; A193-I197 WeakPolarHBondContact O-CG1 3.4Å; A193-I197 PolarHBondContact O-N 3.41Å; Q194-I197 PolarHBondContact O-N 3.4Å; I197-W206 HydrophobicContact CG2-CH2 3.67Å; I197-W206 HydrophobicContact CG2-CZ3 3.76Å; I197-T207 HydrophobicContact CG2-CG2 3.75Å; I197-V210 HydrophobicContact CD1-CG1 3.84Å; I197-I214 HydrophobicContact CD1-CD1 4.37Å |
| 198 | N | 91.4 | Very high | 90.2 | Very high | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.037 | 33% | 0.334 | C | S | . | . | trans | -133 | 66.4 | -174.8 | -170.1 | 12.9 | 0 | 0 | 0 | 111.1 | Q194 N200 R201 Q202 T207 | Q194-N198 CarbonylContact O-C 3.16Å; Q194-N198 WeakPolarHBondContact O-CA 3.26Å; Q194-N198 PolarHBondContact O-N 2.89Å; N198-N200 PolarHBondContact O-N 3.11Å; N198-R201 PolarHBondContact O-N 2.92Å; N198-R201 PolarHBondContact OD1-N 2.85Å; N198-Q202 PolarHBondContact ND2-N 2.89Å; N198-Q202 PolarHBondContact ND2-O 3.24Å; N198-Q202 PolarHBondContact OD1-N 3.02Å; N198-T207 HydrophobicContact CB-CG2 4.18Å | ||
| 199 | P | 89.6 | Confident | 89.9 | Confident | 90 Ų | 90 | 63.9 Ų | 63.9 | 58% | 0.584 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -30.1 | -176.4 | 24.2 | -34.3 | 0 | 0 | 0 | 113 | R201 | P199-R201 VanDerWaalsContact C-N 3.3Å; P199-R201 PolarHBondContact O-N 3.22Å |
| 200 | N | 88 | Confident | 89.7 | Confident | 122 Ų | 122 | 65.1 Ų | 65.1 | 65% | 0.652 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.9 | -0.2 | 179 | -63.2 | -30.7 | 0 | 0 | 0 | 113.5 | N198 Q202 | N198-N200 PolarHBondContact O-N 3.11Å; N200-Q202 HydrophobicContact CB-CG 3.93Å; N200-Q202 PolarHBondContact O-N 3Å; N200-Q202 VanDerWaalsContact O-N 3.15Å |
| 201 | R | 85.3 | Confident | 89.6 | Confident | 119 Ų | 119 | 63.9 Ų | 63.9 | 45% | 0.449 | 32% | 0.317 | S | S | . | . | trans | 48.6 | 40 | -176.9 | -61.7 | -68.6 | 179.6 | 147.4 | 2.4 | 113.3 | E191 N198 P199 | E191-R201 IonicContact OE1-NH1 3.56Å; E191-R201 IonicContact OE2-CZ 2.69Å; E191-R201 IonicContact OE2-NH1 3.78Å; E191-R201 PolarHBondContact OE2-NH1 3.35Å; E191-R201 IonicContact OE2-NH2 3.22Å; E191-R201 PolarHBondContact OE2-NH2 3.03Å; N198-R201 PolarHBondContact O-N 2.92Å; N198-R201 PolarHBondContact OD1-N 2.85Å; P199-R201 VanDerWaalsContact C-N 3.3Å; P199-R201 PolarHBondContact O-N 3.22Å | ||
| 202 | Q | 84.2 | Confident | 89.6 | Confident | 115 Ų | 115 | 61.1 Ų | 61.1 | 54% | 0.537 | 30% | 0.304 | S | S | . | . | trans | -77.2 | 157.7 | 177.7 | -70.6 | -178 | -14.2 | 0 | 0 | 111.5 | N198 N200 L204 | N198-Q202 PolarHBondContact ND2-N 2.89Å; N198-Q202 PolarHBondContact ND2-O 3.24Å; N198-Q202 PolarHBondContact OD1-N 3.02Å; N200-Q202 HydrophobicContact CB-CG 3.93Å; N200-Q202 PolarHBondContact O-N 3Å; N200-Q202 VanDerWaalsContact O-N 3.15Å; Q202-L204 PolarHBondContact O-N 3.33Å | ||
| 203 | Y | 74.8 | Confident | 89.5 | Confident | 125 Ų | 125 | 55.5 Ų | 55.5 | 49% | 0.49 | 28% | 0.278 | S | S | . | . | trans | -69.5 | 87.2 | 178.5 | 178 | -120 | 0 | 0 | 0 | 112.1 | Y9 P205 W295 | Y9-Y203 AromaticContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CD2 3.74Å; Y9-Y203 HydrophobicContact CD1-CE2 4.02Å; Y9-Y203 HydrophobicContact CD2-CD2 4.4Å; Y9-Y203 HydrophobicContact CD2-CE2 4.48Å; Y9-Y203 AromaticContact CE1-CD2 3.36Å; Y9-Y203 HydrophobicContact CE1-CD2 3.36Å; Y9-Y203 AromaticContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE1-CE2 3.16Å; Y9-Y203 HydrophobicContact CE2-CD2 4.03Å; Y9-Y203 AromaticContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CE2-CE2 3.69Å; Y9-Y203 HydrophobicContact CG-CD2 4.29Å; Y9-Y203 AromaticContact CZ-CD2 3.55Å; Y9-Y203 AromaticContact CZ-CE2 2.97Å; Y9-Y203 AromaticContact CZ-CZ 3.59Å; Y9-Y203 WeakPolarHBondContact OH-CE2 3.35Å; Y9-Y203 VanDerWaalsContact OH-CZ 3.3Å; Y9-Y203 PolarHBondContact OH-OH 2.62Å; Y203-P205 HydrophobicContact CE1-CG 4.35Å; Y203-P205 HydrophobicContact CE2-CG 3.84Å; Y203-W295 HydrophobicContact CE2-CZ2 4.39Å | ||
| 204 | L | 84.2 | Confident | 89.5 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 30% | 0.298 | 29% | 0.292 | S | S | . | . | trans | -125.6 | 93.6 | 176.3 | -66.4 | 174.3 | 0 | 0 | 0 | 109.8 | Q202 W206 T207 | Q202-L204 PolarHBondContact O-N 3.33Å; L204-W206 HydrophobicContact CD1-CZ2 4.32Å; L204-W206 PolarHBondContact O-N 3.43Å; L204-W206 VanDerWaalsContact O-N 3.11Å; L204-T207 HydrophobicContact CB-CG2 3.47Å; L204-T207 VanDerWaalsContact CB-CG2 3.47Å; L204-T207 HydrophobicContact CD1-CG2 3.84Å; L204-T207 HydrophobicContact CG-CG2 4.33Å; L204-T207 WeakPolarHBondContact O-CB 3.2Å; L204-T207 PolarHBondContact O-N 2.91Å; L204-T207 PolarHBondContact O-OG1 2.85Å | ||
| 205 | P | 83 | Confident | 89.7 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -47.1 | -43.1 | -179.1 | -37 | 40.5 | 0 | 0 | 0 | 115.5 | Y203 T207 H208 V209 W295 | Y203-P205 HydrophobicContact CE1-CG 4.35Å; Y203-P205 HydrophobicContact CE2-CG 3.84Å; P205-T207 PolarHBondContact O-N 3.48Å; P205-H208 PolarHBondContact O-N 2.84Å; P205-V209 PolarHBondContact O-N 2.79Å; P205-W295 HydrophobicContact CB-CE3 4.44Å; P205-W295 HydrophobicContact CB-CH2 3.33Å; P205-W295 HydrophobicContact CB-CZ2 3.73Å; P205-W295 HydrophobicContact CB-CZ3 3.72Å; P205-W295 HydrophobicContact CG-CH2 3.45Å; P205-W295 VanDerWaalsContact CG-CH2 3.45Å; P205-W295 HydrophobicContact CG-CZ2 3.86Å; P205-W295 HydrophobicContact CG-CZ3 4.26Å |
| 206 | W | 88.1 | Confident | 89.7 | Confident | 143 Ų | 143 | 55.8 Ų | 55.8 | 54% | 0.542 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.1 | -28.7 | -179.2 | 70.9 | -94.7 | 0 | 0 | 0 | 112.3 | I197 L204 V209 V210 | I197-W206 HydrophobicContact CG2-CH2 3.67Å; I197-W206 HydrophobicContact CG2-CZ3 3.76Å; L204-W206 HydrophobicContact CD1-CZ2 4.32Å; L204-W206 PolarHBondContact O-N 3.43Å; L204-W206 VanDerWaalsContact O-N 3.11Å; W206-V209 PolarHBondContact O-N 3.32Å; W206-V210 HydrophobicContact CE3-CG2 4.08Å; W206-V210 WeakPolarHBondContact O-CB 3.17Å; W206-V210 VanDerWaalsContact O-CG2 3.32Å; W206-V210 WeakPolarHBondContact O-CG2 3.16Å; W206-V210 PolarHBondContact O-N 3.27Å |
| 207 | T | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.2 | -38.9 | 178.2 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | I197 N198 L204 P205 V210 S211 | I197-T207 HydrophobicContact CG2-CG2 3.75Å; N198-T207 HydrophobicContact CB-CG2 4.18Å; L204-T207 HydrophobicContact CB-CG2 3.47Å; L204-T207 VanDerWaalsContact CB-CG2 3.47Å; L204-T207 HydrophobicContact CD1-CG2 3.84Å; L204-T207 HydrophobicContact CG-CG2 4.33Å; L204-T207 WeakPolarHBondContact O-CB 3.2Å; L204-T207 PolarHBondContact O-N 2.91Å; L204-T207 PolarHBondContact O-OG1 2.85Å; P205-T207 PolarHBondContact O-N 3.48Å; T207-V210 PolarHBondContact O-N 3.09Å; T207-S211 WeakPolarHBondContact O-CB 3.4Å; T207-S211 PolarHBondContact O-N 3.46Å; T207-S211 PolarHBondContact O-OG 3.48Å |
| 208 | H | 88.8 | Confident | 89.9 | Confident | 26 Ų | 26 | 54 Ų | 54 | 12% | 0.12 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.4 | -40.7 | 174 | -65.7 | -84.9 | 0 | 0 | 0 | 111.5 | E10 Y190 Q194 P205 S211 G212 | E10-H208 IonicContact OE1-CE1 2.63Å; Y190-H208 AromaticContact CZ-ND1 3.97Å; Y190-H208 PolarHBondContact OH-CE1 3.29Å; Y190-H208 PolarHBondContact OH-ND1 3.11Å; Q194-H208 PolarHBondContact NE2-CE1 2.86Å; Q194-H208 VanDerWaalsContact NE2-CE1 3.29Å; Q194-H208 PolarHBondContact NE2-ND1 3.04Å; P205-H208 PolarHBondContact O-N 2.84Å; H208-S211 WeakPolarHBondContact CA-OG 3.37Å; H208-S211 PolarHBondContact O-OG 2.95Å; H208-G212 WeakPolarHBondContact O-CA 3.46Å; H208-G212 PolarHBondContact O-N 3.14Å |
| 209 | V | 90.6 | Very high | 90.2 | Very high | 24 Ų | 24 | 53.6 Ų | 53.6 | 15% | 0.145 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -46 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.6 | P205 W206 G213 V288 A292 | P205-V209 PolarHBondContact O-N 2.79Å; W206-V209 PolarHBondContact O-N 3.32Å; V209-G213 PolarHBondContact O-N 3.24Å; V209-V288 HydrophobicContact CG1-CG1 4.15Å; V209-A292 HydrophobicContact CG1-CB 3.66Å; V209-A292 HydrophobicContact CG2-CB 4.36Å |
| 210 | V | 93.1 | Very high | 90.4 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 35% | 0.345 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -70.6 | -47.9 | -179.4 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | I197 W206 T207 G213 I214 | I197-V210 HydrophobicContact CD1-CG1 3.84Å; W206-V210 HydrophobicContact CE3-CG2 4.08Å; W206-V210 WeakPolarHBondContact O-CB 3.17Å; W206-V210 VanDerWaalsContact O-CG2 3.32Å; W206-V210 WeakPolarHBondContact O-CG2 3.16Å; W206-V210 PolarHBondContact O-N 3.27Å; T207-V210 PolarHBondContact O-N 3.09Å; V210-G213 PolarHBondContact O-N 2.95Å; V210-I214 HydrophobicContact CG1-CD1 3.87Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.18Å; V210-I214 PolarHBondContact O-N 3.46Å |
| 211 | S | 93.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -45.2 | 178.9 | 56.5 | 0 | 0 | 0 | 0 | 112 | Y190 T207 H208 G213 I214 A215 | Y190-S211 WeakPolarHBondContact CD2-OG 3.34Å; Y190-S211 VanDerWaalsContact CE2-OG 3.23Å; Y190-S211 WeakPolarHBondContact CE2-OG 3.24Å; T207-S211 WeakPolarHBondContact O-CB 3.4Å; T207-S211 PolarHBondContact O-N 3.46Å; T207-S211 PolarHBondContact O-OG 3.48Å; H208-S211 WeakPolarHBondContact CA-OG 3.37Å; H208-S211 PolarHBondContact O-OG 2.95Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 2.79Å; S211-I214 PolarHBondContact O-N 3.05Å; S211-A215 VanDerWaalsContact O-CB 3.27Å; S211-A215 WeakPolarHBondContact O-CB 3.46Å; S211-A215 PolarHBondContact O-N 3.19Å |
| 212 | G | 92.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -37.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H208 A215 G216 | H208-G212 WeakPolarHBondContact O-CA 3.46Å; H208-G212 PolarHBondContact O-N 3.14Å; G212-A215 PolarHBondContact O-N 2.69Å; G212-G216 PolarHBondContact O-N 3.22Å |
| 213 | G | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.8 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V209 V210 S211 G216 C217 A287 | V209-G213 PolarHBondContact O-N 3.24Å; V210-G213 PolarHBondContact O-N 2.95Å; S211-G213 VanDerWaalsContact C-N 3.33Å; S211-G213 PolarHBondContact O-N 2.79Å; G213-G216 PolarHBondContact O-N 3.08Å; G213-C217 PolarHBondContact O-N 3.49Å; G213-C217 PolarHBondContact O-SG 3.38Å; G213-A287 WeakPolarHBondContact O-CB 3.41Å |
| 214 | I | 94.8 | Very high | 92.7 | Very high | 68 Ų | 68 | 35.1 Ų | 35.1 | 35% | 0.349 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 175 | -69.3 | 166.8 | 0 | 0 | 0 | 110.2 | I197 V210 S211 G216 C217 F218 | I197-I214 HydrophobicContact CD1-CD1 4.37Å; V210-I214 HydrophobicContact CG1-CD1 3.87Å; V210-I214 VanDerWaalsContact O-CG1 3.3Å; V210-I214 WeakPolarHBondContact O-CG1 3.18Å; V210-I214 PolarHBondContact O-N 3.46Å; S211-I214 PolarHBondContact O-N 3.05Å; I214-G216 VanDerWaalsContact C-N 3.35Å; I214-G216 PolarHBondContact O-N 2.99Å; I214-C217 WeakPolarHBondContact O-CB 3.37Å; I214-C217 PolarHBondContact O-N 3.09Å; I214-F218 HydrophobicContact CG2-CD2 3.94Å; I214-F218 HydrophobicContact CG2-CE2 3.8Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.17Å; I214-F218 PolarHBondContact O-N 3.19Å; I214-F218 VanDerWaalsContact O-N 3.15Å |
| 215 | A | 96.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H186 C189 S211 G212 C217 F218 A219 | H186-A215 VanDerWaalsContact O-CB 3.32Å; H186-A215 WeakPolarHBondContact O-CB 3.39Å; C189-A215 HydrophobicContact CB-CB 3.87Å; S211-A215 VanDerWaalsContact O-CB 3.27Å; S211-A215 WeakPolarHBondContact O-CB 3.46Å; S211-A215 PolarHBondContact O-N 3.19Å; G212-A215 PolarHBondContact O-N 2.69Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.45Å; A215-F218 PolarHBondContact O-N 2.8Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.26Å |
| 216 | G | 94.8 | Very high | 93.8 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.031 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.7 | -41 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G212 G213 I214 A220 | G212-G216 PolarHBondContact O-N 3.22Å; G213-G216 PolarHBondContact O-N 3.08Å; I214-G216 VanDerWaalsContact C-N 3.35Å; I214-G216 PolarHBondContact O-N 2.99Å; G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.03Å |
| 217 | C | 95.6 | Very high | 94.2 | Very high | 31 Ų | 31 | 28.4 Ų | 28.4 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -48.5 | 175.2 | -72.4 | 0 | 0 | 0 | 0 | 112.3 | G213 I214 A215 A221 I284 | G213-C217 PolarHBondContact O-N 3.49Å; G213-C217 PolarHBondContact O-SG 3.38Å; I214-C217 WeakPolarHBondContact O-CB 3.37Å; I214-C217 PolarHBondContact O-N 3.09Å; A215-C217 VanDerWaalsContact C-N 3.33Å; A215-C217 PolarHBondContact O-N 3.45Å; C217-A221 WeakPolarHBondContact O-CB 3.42Å; C217-A221 PolarHBondContact O-N 3.4Å; C217-I284 HydrophobicContact CB-CG2 4.46Å; C217-I284 PolarHBondContact SG-O 2.82Å |
| 218 | F | 95.8 | Very high | 94.4 | Very high | 106 Ų | 106 | 28.4 Ų | 28.4 | 47% | 0.465 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65 | -51.4 | 178.2 | -78.9 | -75.5 | 0 | 0 | 0 | 111.3 | I185 I214 A215 A220 A221 F222 | I185-F218 HydrophobicContact CG2-CB 4.22Å; I214-F218 HydrophobicContact CG2-CD2 3.94Å; I214-F218 HydrophobicContact CG2-CE2 3.8Å; I214-F218 VanDerWaalsContact O-CD2 3.29Å; I214-F218 WeakPolarHBondContact O-CD2 3.17Å; I214-F218 PolarHBondContact O-N 3.19Å; I214-F218 VanDerWaalsContact O-N 3.15Å; A215-F218 PolarHBondContact O-N 2.8Å; F218-A220 VanDerWaalsContact C-N 3.27Å; F218-A220 PolarHBondContact O-N 2.88Å; F218-A221 PolarHBondContact O-N 3.34Å; F218-A221 VanDerWaalsContact O-N 3.14Å; F218-F222 HydrophobicContact CD1-CE2 4.36Å; F218-F222 VanDerWaalsContact O-CD2 3.29Å; F218-F222 WeakPolarHBondContact O-CD2 3.39Å; F218-F222 PolarHBondContact O-N 2.97Å |
| 219 | A | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.4 | -41.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y182 I185 H186 A215 T223 | Y182-A219 HydrophobicContact CD2-CB 3.67Å; Y182-A219 HydrophobicContact CE2-CB 3.67Å; Y182-A219 HydrophobicContact CG-CB 4.23Å; I185-A219 HydrophobicContact CB-CB 4.21Å; I185-A219 HydrophobicContact CG2-CB 4.06Å; H186-A219 HydrophobicContact CB-CB 3.95Å; A215-A219 WeakPolarHBondContact O-CB 3.38Å; A215-A219 PolarHBondContact O-N 3.26Å; A219-T223 WeakPolarHBondContact O-CB 3.16Å; A219-T223 WeakPolarHBondContact O-CG2 3.32Å; A219-T223 PolarHBondContact O-N 3.5Å; A219-T223 PolarHBondContact O-OG1 3.19Å |
| 220 | A | 94.8 | Very high | 94.8 | Very high | 3 Ų | 3 | 27 Ų | 27 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G216 F218 T223 N224 R283 | G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 3.03Å; F218-A220 VanDerWaalsContact C-N 3.27Å; F218-A220 PolarHBondContact O-N 2.88Å; A220-T223 PolarHBondContact O-N 3.33Å; A220-N224 WeakPolarHBondContact O-CB 3.46Å; A220-N224 PolarHBondContact O-N 3.22Å; A220-R283 HydrophobicContact CB-CB 3.62Å |
| 221 | A | 95.2 | Very high | 94.8 | Very high | 34 Ų | 34 | 24.2 Ų | 24.2 | 28% | 0.281 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.7 | -46.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C217 F218 N224 I280 | C217-A221 WeakPolarHBondContact O-CB 3.42Å; C217-A221 PolarHBondContact O-N 3.4Å; F218-A221 PolarHBondContact O-N 3.34Å; F218-A221 VanDerWaalsContact O-N 3.14Å; A221-N224 PolarHBondContact O-N 2.81Å; A221-I280 HydrophobicContact CB-CD1 4.16Å |
| 222 | F | 94.7 | Very high | 94.7 | Very high | 142 Ų | 142 | 24.7 Ų | 24.7 | 62% | 0.623 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -67.5 | -37.4 | -179.8 | -84.6 | -78.5 | 0 | 0 | 0 | 113.2 | I185 F218 | I185-F222 HydrophobicContact CD1-CB 3.51Å; I185-F222 HydrophobicContact CD1-CD2 4.23Å; I185-F222 HydrophobicContact CD1-CG 3.86Å; I185-F222 HydrophobicContact CG2-CD2 4.38Å; F218-F222 HydrophobicContact CD1-CE2 4.36Å; F218-F222 VanDerWaalsContact O-CD2 3.29Å; F218-F222 WeakPolarHBondContact O-CD2 3.39Å; F218-F222 PolarHBondContact O-N 2.97Å |
| 223 | T | 95.6 | Very high | 94.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -93.7 | 3.9 | -178.6 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | P181 A219 A220 P225 L226 D227 R283 | P181-T223 HydrophobicContact CB-CG2 4.02Å; A219-T223 WeakPolarHBondContact O-CB 3.16Å; A219-T223 WeakPolarHBondContact O-CG2 3.32Å; A219-T223 PolarHBondContact O-N 3.5Å; A219-T223 PolarHBondContact O-OG1 3.19Å; A220-T223 PolarHBondContact O-N 3.33Å; T223-P225 VanDerWaalsContact C-CD 3.49Å; T223-L226 PolarHBondContact O-N 3.29Å; T223-D227 PolarHBondContact O-N 3.02Å; T223-D227 VanDerWaalsContact O-N 3.11Å; T223-R283 PolarHBondContact O-NH1 3.15Å; T223-R283 PolarHBondContact OG1-NH1 2.67Å; T223-R283 PolarHBondContact OG1-NH2 3.17Å |
| 224 | N | 95.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.2 | -42.8 | 178.9 | -163.1 | 75.2 | 0 | 0 | 0 | 113.5 | A220 A221 L226 D227 V228 F276 R278 I280 R283 | A220-N224 WeakPolarHBondContact O-CB 3.46Å; A220-N224 PolarHBondContact O-N 3.22Å; A221-N224 PolarHBondContact O-N 2.81Å; N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.2Å; N224-D227 PolarHBondContact O-N 2.91Å; N224-V228 WeakPolarHBondContact O-CG2 3.42Å; N224-V228 PolarHBondContact O-N 2.94Å; N224-F276 PolarHBondContact ND2-O 3.44Å; N224-R278 PolarHBondContact ND2-O 3.38Å; N224-I280 HydrophobicContact CB-CG1 4.4Å; N224-I280 WeakPolarHBondContact OD1-CA 3.11Å; N224-I280 PolarHBondContact OD1-N 3.36Å; N224-R283 VanDerWaalsContact OD1-CD 3.28Å; N224-R283 WeakPolarHBondContact OD1-CD 3.32Å |
| 225 | P | 95.4 | Very high | 94.3 | Very high | 51 Ų | 51 | 22.4 Ų | 22.4 | 33% | 0.331 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -59 | -38.1 | 178.3 | -26.3 | 36.4 | 0 | 0 | 0 | 113.6 | T223 C229 F276 | T223-P225 VanDerWaalsContact C-CD 3.49Å; P225-C229 PolarHBondContact O-N 2.86Å; P225-C229 PolarHBondContact O-SG 2.72Å; P225-F276 HydrophobicContact CB-CB 3.96Å; P225-F276 HydrophobicContact CB-CD1 3.82Å; P225-F276 HydrophobicContact CB-CG 4.23Å; P225-F276 HydrophobicContact CG-CB 4.14Å |
| 226 | L | 94.8 | Very high | 93.6 | Very high | 39 Ų | 39 | 23.5 Ų | 23.5 | 20% | 0.204 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -71.5 | -38.2 | 178.5 | -65.4 | 175.7 | 0 | 0 | 0 | 111.5 | T174 S177 M178 T223 N224 C229 K230 L260 | T174-L226 WeakPolarHBondContact CG2-O 3.43Å; S177-L226 WeakPolarHBondContact O-CD1 3.48Å; M178-L226 HydrophobicContact CB-CB 3.88Å; M178-L226 HydrophobicContact CB-CD1 4.16Å; M178-L226 HydrophobicContact CG-CB 3.9Å; T223-L226 PolarHBondContact O-N 3.29Å; N224-L226 VanDerWaalsContact C-N 3.29Å; N224-L226 PolarHBondContact O-N 3.2Å; L226-C229 CarbonylContact O-C 3.6Å; L226-C229 WeakPolarHBondContact O-CB 3.31Å; L226-C229 PolarHBondContact O-N 3.01Å; L226-K230 PolarHBondContact O-N 3.23Å; L226-L260 HydrophobicContact CD2-CD1 3.8Å; L226-L260 HydrophobicContact CD2-CD2 3.75Å; L226-L260 HydrophobicContact CD2-CG 4.41Å |
| 227 | D | 94.7 | Very high | 92.2 | Very high | 8 Ų | 8 | 24.9 Ų | 24.9 | 4% | 0.043 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -39.9 | 176.4 | -170.8 | 44.1 | 0 | 0 | 0 | 111.9 | Q47 M178 T223 N224 C229 K230 T231 R283 | Q47-D227 PolarHBondContact NE2-OD2 3.34Å; M178-D227 HydrophobicContact SD-CB 3.62Å; T223-D227 PolarHBondContact O-N 3.02Å; T223-D227 VanDerWaalsContact O-N 3.11Å; N224-D227 PolarHBondContact O-N 2.91Å; D227-C229 VanDerWaalsContact C-N 3.27Å; D227-C229 PolarHBondContact O-N 3.18Å; D227-K230 WeakPolarHBondContact O-CB 3.24Å; D227-K230 PolarHBondContact O-N 2.86Å; D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.23Å; D227-T231 PolarHBondContact O-OG1 3.34Å; D227-R283 WeakPolarHBondContact OD2-CD 3.38Å; D227-R283 IonicContact OD2-CZ 3.85Å; D227-R283 IonicContact OD2-NE 3.59Å; D227-R283 IonicContact OD2-NH1 3.68Å; D227-R283 PolarHBondContact OD2-NH1 2.74Å |
| 228 | V | 94.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.1 | -45.8 | 169.7 | 172.1 | 0 | 0 | 0 | 0 | 110.1 | Q47 N224 T231 L232 V267 R278 | Q47-V228 HydrophobicContact CG-CG2 4.16Å; N224-V228 WeakPolarHBondContact O-CG2 3.42Å; N224-V228 PolarHBondContact O-N 2.94Å; V228-T231 PolarHBondContact O-N 2.88Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.41Å; V228-L232 WeakPolarHBondContact O-CB 3.27Å; V228-L232 WeakPolarHBondContact O-CG 3.46Å; V228-L232 PolarHBondContact O-N 3.38Å; V228-V267 HydrophobicContact CG1-CG2 4.24Å; V228-R278 WeakPolarHBondContact CG2-O 3.4Å |
| 229 | C | 94.3 | Very high | 87.8 | Confident | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.014 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.2 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | T174 P225 L226 D227 L233 L260 T263 | T174-C229 HydrophobicContact CG2-CB 4.12Å; P225-C229 PolarHBondContact O-N 2.86Å; P225-C229 PolarHBondContact O-SG 2.72Å; L226-C229 CarbonylContact O-C 3.6Å; L226-C229 WeakPolarHBondContact O-CB 3.31Å; L226-C229 PolarHBondContact O-N 3.01Å; D227-C229 VanDerWaalsContact C-N 3.27Å; D227-C229 PolarHBondContact O-N 3.18Å; C229-L233 WeakPolarHBondContact O-CB 3.31Å; C229-L233 WeakPolarHBondContact O-CD1 3.26Å; C229-L233 VanDerWaalsContact O-CG 3.3Å; C229-L233 WeakPolarHBondContact O-CG 3.31Å; C229-L233 PolarHBondContact O-N 3.05Å; C229-L260 HydrophobicContact CB-CD1 3.59Å; C229-T263 HydrophobicContact CB-CG2 3.91Å |
| 230 | K | 93.9 | Very high | 85.4 | Confident | 17 Ų | 17 | 26.1 Ų | 26.1 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.6 | -55.2 | 174.7 | 179 | -162.4 | 176 | 172.2 | 0 | 110.1 | D136 A171 T174 M178 L226 D227 L232 L233 N234 | D136-K230 IonicContact OD2-NZ 3.86Å; D136-K230 PolarHBondContact OD2-NZ 3.49Å; A171-K230 HydrophobicContact CB-CG 4.13Å; T174-K230 HydrophobicContact CG2-CB 4.03Å; M178-K230 HydrophobicContact CE-CD 4.14Å; L226-K230 PolarHBondContact O-N 3.23Å; D227-K230 WeakPolarHBondContact O-CB 3.24Å; D227-K230 PolarHBondContact O-N 2.86Å; K230-L232 VanDerWaalsContact C-N 3.32Å; K230-L232 PolarHBondContact O-N 3.43Å; K230-L233 PolarHBondContact O-N 2.93Å; K230-L233 VanDerWaalsContact O-N 3.15Å; K230-N234 PolarHBondContact O-N 3.28Å; K230-N234 VanDerWaalsContact O-N 3.09Å |
| 231 | T | 93 | Very high | 83 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | -177.6 | -64 | 0 | 0 | 0 | 0 | 111.2 | T44 Q47 Q140 D227 V228 L233 N234 T235 | T44-T231 HydrophobicContact CG2-CG2 3.95Å; Q47-T231 HydrophobicContact CB-CG2 3.88Å; Q47-T231 VanDerWaalsContact OE1-CB 3.28Å; Q47-T231 PolarHBondContact OE1-OG1 2.91Å; Q140-T231 PolarHBondContact NE2-OG1 2.9Å; Q140-T231 VanDerWaalsContact NE2-OG1 3.13Å; D227-T231 WeakPolarHBondContact O-CB 3.41Å; D227-T231 PolarHBondContact O-N 3.23Å; D227-T231 PolarHBondContact O-OG1 3.34Å; V228-T231 PolarHBondContact O-N 2.88Å; T231-L233 PolarHBondContact O-N 3.5Å; T231-N234 PolarHBondContact O-N 3.45Å; T231-T235 HydrophobicContact CG2-CG2 4.13Å; T231-T235 VanDerWaalsContact O-CB 3.31Å; T231-T235 WeakPolarHBondContact O-CB 3.16Å; T231-T235 VanDerWaalsContact O-CG2 3.26Å; T231-T235 WeakPolarHBondContact O-CG2 3.35Å; T231-T235 PolarHBondContact O-N 3.14Å; T231-T235 PolarHBondContact O-OG1 3.42Å |
| 232 | L | 92.2 | Very high | 80.2 | Confident | 10 Ų | 10 | 36.6 Ų | 36.6 | 5% | 0.052 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | 176.8 | -71.5 | 172.6 | 0 | 0 | 0 | 113.2 | L49 V228 K230 N234 Q236 F257 T263 V267 | L49-L232 HydrophobicContact CB-CD2 4.25Å; L49-L232 HydrophobicContact CD1-CD1 3.56Å; L49-L232 HydrophobicContact CD1-CD2 4.32Å; L49-L232 HydrophobicContact CG-CD1 3.82Å; L49-L232 HydrophobicContact CG-CD2 3.92Å; L49-L232 HydrophobicContact CG-CG 4.5Å; V228-L232 HydrophobicContact CG1-CD1 3.8Å; V228-L232 HydrophobicContact CG1-CG 4.41Å; V228-L232 WeakPolarHBondContact O-CB 3.27Å; V228-L232 WeakPolarHBondContact O-CG 3.46Å; V228-L232 PolarHBondContact O-N 3.38Å; K230-L232 VanDerWaalsContact C-N 3.32Å; K230-L232 PolarHBondContact O-N 3.43Å; L232-N234 VanDerWaalsContact C-N 3.34Å; L232-Q236 WeakPolarHBondContact O-CG 3.5Å; L232-Q236 PolarHBondContact O-N 3.11Å; L232-F257 HydrophobicContact CB-CE2 4.18Å; L232-F257 HydrophobicContact CB-CZ 4.01Å; L232-T263 HydrophobicContact CB-CG2 3.79Å; L232-T263 HydrophobicContact CD1-CG2 4.07Å; L232-V267 HydrophobicContact CD1-CG2 3.39Å |
| 233 | L | 92 | Very high | 77.5 | Confident | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 176.3 | -79.4 | 163.1 | 0 | 0 | 0 | 112.1 | R170 A171 T174 C229 K230 T231 F257 T263 | R170-L233 HydrophobicContact CB-CD2 4.49Å; A171-L233 HydrophobicContact CB-CB 3.96Å; A171-L233 HydrophobicContact CB-CD1 4.44Å; T174-L233 HydrophobicContact CG2-CD1 4.5Å; T174-L233 VanDerWaalsContact OG1-CD1 3.25Å; T174-L233 WeakPolarHBondContact OG1-CD1 3.28Å; C229-L233 WeakPolarHBondContact O-CB 3.31Å; C229-L233 WeakPolarHBondContact O-CD1 3.26Å; C229-L233 VanDerWaalsContact O-CG 3.3Å; C229-L233 WeakPolarHBondContact O-CG 3.31Å; C229-L233 PolarHBondContact O-N 3.05Å; K230-L233 PolarHBondContact O-N 2.93Å; K230-L233 VanDerWaalsContact O-N 3.15Å; T231-L233 PolarHBondContact O-N 3.5Å; L233-F257 HydrophobicContact CD2-CD2 4.05Å; L233-F257 HydrophobicContact CD2-CE2 4.15Å; L233-F257 HydrophobicContact CG-CE2 4.39Å; L233-T263 VanDerWaalsContact CD2-OG1 3.23Å; L233-T263 WeakPolarHBondContact CD2-OG1 3.49Å; L233-T263 HydrophobicContact CG-CG2 4.46Å; L233-T263 WeakPolarHBondContact CG-OG1 3.1Å |
| 234 | N | 91.7 | Very high | 75 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -78.3 | -33.5 | -178.8 | -77.3 | -19 | 0 | 0 | 0 | 112.9 | A137 Q140 R141 A171 K230 T231 L232 | A137-N234 HydrophobicContact CB-CB 4.44Å; Q140-N234 HydrophobicContact CB-CB 4.31Å; Q140-N234 PolarHBondContact OE1-ND2 3.47Å; R141-N234 WeakPolarHBondContact CG-O 3.48Å; R141-N234 PolarHBondContact NE-O 3.34Å; A171-N234 WeakPolarHBondContact CB-OD1 3.49Å; K230-N234 PolarHBondContact O-N 3.28Å; K230-N234 VanDerWaalsContact O-N 3.09Å; T231-N234 PolarHBondContact O-N 3.45Å; L232-N234 VanDerWaalsContact C-N 3.34Å |
| 235 | T | 89.1 | Confident | 72.3 | Confident | 17 Ų | 17 | 47 Ų | 47 | 10% | 0.104 | 25% | 0.245 | C | C | . | . | trans | -89.9 | 10.1 | -177.6 | 58 | 0 | 0 | 0 | 0 | 114.5 | T44 Q140 L144 T231 D237 | T44-T235 HydrophobicContact CG2-CG2 4.04Å; Q140-T235 HydrophobicContact CB-CG2 3.97Å; L144-T235 HydrophobicContact CD1-CG2 4.14Å; L144-T235 HydrophobicContact CD2-CG2 3.71Å; L144-T235 HydrophobicContact CG-CG2 4.03Å; T231-T235 HydrophobicContact CG2-CG2 4.13Å; T231-T235 VanDerWaalsContact O-CB 3.31Å; T231-T235 WeakPolarHBondContact O-CB 3.16Å; T231-T235 VanDerWaalsContact O-CG2 3.26Å; T231-T235 WeakPolarHBondContact O-CG2 3.35Å; T231-T235 PolarHBondContact O-N 3.14Å; T231-T235 PolarHBondContact O-OG1 3.42Å; T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 3.37Å | ||
| 236 | Q | 82 | Confident | 69.9 | Low | 23 Ų | 23 | 54.8 Ų | 54.8 | 11% | 0.107 | 27% | 0.274 | C | S | . | . | trans | -64.5 | 87.3 | 169.8 | -63 | -173.3 | -39.1 | 0 | 0 | 110.4 | R141 L232 R238 F257 | R141-Q236 PolarHBondContact NH2-O 3.02Å; L232-Q236 WeakPolarHBondContact O-CG 3.5Å; L232-Q236 PolarHBondContact O-N 3.11Å; Q236-R238 PolarHBondContact O-N 2.87Å; Q236-F257 HydrophobicContact CG-CE1 4.48Å; Q236-F257 HydrophobicContact CG-CE2 4.04Å; Q236-F257 HydrophobicContact CG-CZ 3.83Å; Q236-F257 VanDerWaalsContact NE2-CG 3.33Å; Q236-F257 PolarHBondContact NE2-O 3.42Å | ||
| 237 | D | 64.7 | Low | 67.4 | Low | 33 Ų | 33 | 56.2 Ų | 56.2 | 18% | 0.176 | 30% | 0.298 | C | S | . | . | trans | -81.5 | 114.9 | 174.9 | -90.3 | -31.5 | 0 | 0 | 0 | 110.7 | R141 L144 Y149 T235 C239 V240 | R141-D237 IonicContact NH1-OD1 3.38Å; L144-D237 WeakPolarHBondContact CD1-OD2 3.34Å; Y149-D237 PolarHBondContact OH-OD1 3.06Å; Y149-D237 VanDerWaalsContact OH-OD1 3.06Å; T235-D237 VanDerWaalsContact C-N 3.29Å; T235-D237 PolarHBondContact O-N 3.37Å; D237-C239 VanDerWaalsContact C-N 3.35Å; D237-V240 HydrophobicContact CB-CG2 3.93Å | ||
| 238 | R | 54.7 | Low | 64.3 | Low | 85 Ų | 85 | 65 Ų | 65 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -80.8 | -21.2 | 166.3 | -60.7 | -172.5 | -177.3 | -174.1 | 0.9 | 112.2 | E163 Q236 S253 | E163-R238 HydrophobicContact CG-CB 4.27Å; E163-R238 HydrophobicContact CG-CG 4.36Å; Q236-R238 PolarHBondContact O-N 2.87Å; R238-S253 PolarHBondContact NH1-O 3.47Å; R238-S253 VanDerWaalsContact NH1-O 3.17Å |
| 239 | C | 44.6 | Very low | 61.7 | Low | 25 Ų | 25 | 70.6 Ų | 70.6 | 17% | 0.169 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -74.5 | -34.8 | -171.5 | -166.1 | 0 | 0 | 0 | 0 | 113 | D237 Q241 K242 | D237-C239 VanDerWaalsContact C-N 3.35Å; C239-Q241 PolarHBondContact O-N 3.42Å; C239-K242 PolarHBondContact O-N 3.27Å; C239-K242 VanDerWaalsContact O-N 3.11Å |
| 240 | V | 45.4 | Very low | 59.1 | Low | 52 Ų | 52 | 76.5 Ų | 76.5 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | G | 310 helix | trans | -62.7 | -30.6 | -176.8 | 175.3 | 0 | 0 | 0 | 0 | 112.4 | P148 D237 K242 I244 | P148-V240 HydrophobicContact CG-CG2 4.22Å; D237-V240 HydrophobicContact CB-CG2 3.93Å; V240-K242 VanDerWaalsContact C-N 3.25Å; V240-K242 PolarHBondContact O-N 2.86Å; V240-I244 HydrophobicContact CG1-CD1 4.31Å |
| 241 | Q | 44.6 | Very low | 56.7 | Low | 98 Ų | 98 | 82.7 Ų | 82.7 | 46% | 0.458 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -74.6 | -8.8 | 178.9 | -109.4 | 163.6 | 9.1 | 0 | 0 | 114.9 | C239 F249 | C239-Q241 PolarHBondContact O-N 3.42Å; Q241-F249 HydrophobicContact CB-CE1 4.28Å; Q241-F249 HydrophobicContact CG-CD1 3.99Å; Q241-F249 HydrophobicContact CG-CE1 3.41Å; Q241-F249 VanDerWaalsContact CG-CE1 3.41Å; Q241-F249 HydrophobicContact CG-CZ 3.78Å; Q241-F249 VanDerWaalsContact NE2-CE1 3.31Å |
| 242 | K | 36.9 | Very low | 54.2 | Low | 160 Ų | 160 | 86.7 Ų | 86.7 | 70% | 0.696 | 46% | 0.457 | S | S | * | . | G | 310 helix | trans | -82.2 | -24 | 177.3 | -94.2 | -174.9 | 173.1 | -178.8 | 0 | 114.1 | C239 V240 | C239-K242 PolarHBondContact O-N 3.27Å; C239-K242 VanDerWaalsContact O-N 3.11Å; V240-K242 VanDerWaalsContact C-N 3.25Å; V240-K242 PolarHBondContact O-N 2.86Å |
| 243 | N | 37.8 | Very low | 52.2 | Low | 139 Ų | 139 | 89.7 Ų | 89.7 | 74% | 0.743 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -7.6 | -167.3 | -70.7 | -8.3 | 0 | 0 | 0 | 115.1 | ||
| 244 | I | 42.9 | Very low | 50.3 | Low | 119 Ų | 119 | 97.5 Ų | 97.5 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -104.1 | 107.9 | 176.7 | -54.8 | 177.5 | 0 | 0 | 0 | 108.7 | V240 | V240-I244 HydrophobicContact CG1-CD1 4.31Š|
| 245 | C | 39.8 | Very low | 48.8 | Very low | 104 Ų | 104 | 99 Ų | 99 | 70% | 0.703 | 52% | 0.522 | S | S | * | . | trans | 87.7 | 96 | 168.6 | -110 | 0 | 0 | 0 | 0 | 118.2 | G247 | C245-G247 PolarHBondContact O-N 3.17Š| ||
| 246 | F | 45 | Very low | 47.7 | Very low | 215 Ų | 215 | 102.8 Ų | 102.8 | 94% | 0.943 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -30.5 | 114.1 | 131.9 | -80.1 | -98.7 | 0 | 0 | 0 | 111.1 | ||
| 247 | G | 40.6 | Very low | 47.4 | Very low | 69 Ų | 69 | 102.4 Ų | 102.4 | 71% | 0.711 | 54% | 0.537 | S | S | * | . | S | Bend | trans | 140.6 | -51.8 | 154.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | C245 | C245-G247 PolarHBondContact O-N 3.17Š|
| 248 | H | 30.7 | Very low | 48.2 | Very low | 192 Ų | 192 | 109.7 Ų | 109.7 | 89% | 0.889 | 56% | 0.562 | S | S | * | * | trans | -164.4 | 103.3 | -176.5 | -113.5 | -92.2 | 0 | 0 | 0 | 110.7 | ||||
| 249 | F | 40.3 | Very low | 49.8 | Very low | 119 Ų | 119 | 107.1 Ų | 107.1 | 52% | 0.522 | 56% | 0.562 | S | S | . | * | trans | -149.2 | 122.4 | 170.8 | -165.4 | -95.6 | 0 | 0 | 0 | 112.3 | Q241 Q251 | Q241-F249 HydrophobicContact CB-CE1 4.28Å; Q241-F249 HydrophobicContact CG-CD1 3.99Å; Q241-F249 HydrophobicContact CG-CE1 3.41Å; Q241-F249 VanDerWaalsContact CG-CE1 3.41Å; Q241-F249 HydrophobicContact CG-CZ 3.78Å; Q241-F249 VanDerWaalsContact NE2-CE1 3.31Å; F249-Q251 PolarHBondContact O-N 2.73Å | ||
| 250 | T | 39.3 | Very low | 52.1 | Low | 126 Ų | 126 | 107.7 Ų | 107.7 | 77% | 0.773 | 56% | 0.563 | S | S | * | * | trans | -74.5 | 102.4 | 177.7 | 51.5 | 0 | 0 | 0 | 0 | 110 | S252 | T250-S252 PolarHBondContact O-N 2.94Š| ||
| 251 | Q | 42.3 | Very low | 54.4 | Low | 146 Ų | 146 | 113.3 Ų | 113.3 | 68% | 0.682 | 58% | 0.584 | S | S | * | * | trans | -62.2 | 99.2 | 174.2 | -173.7 | 179.8 | 8.6 | 0 | 0 | 110.7 | F249 S253 | F249-Q251 PolarHBondContact O-N 2.73Å; Q251-S253 PolarHBondContact O-N 3.44Å | ||
| 252 | S | 42.4 | Very low | 56.6 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 59% | 0.594 | 57% | 0.574 | S | S | * | * | trans | -81.7 | 96.6 | 159.8 | -170.5 | 0 | 0 | 0 | 0 | 108.3 | T250 K254 | T250-S252 PolarHBondContact O-N 2.94Å; S252-K254 PolarHBondContact O-N 3.47Å; S252-K254 VanDerWaalsContact O-N 3.13Å | ||
| 253 | S | 50.2 | Low | 59.2 | Low | 73 Ų | 73 | 102.1 Ų | 102.1 | 51% | 0.51 | 54% | 0.541 | S | S | . | . | trans | -65.6 | -6.9 | 175.5 | -61.7 | 0 | 0 | 0 | 0 | 113.7 | R238 Q251 | R238-S253 PolarHBondContact NH1-O 3.47Å; R238-S253 VanDerWaalsContact NH1-O 3.17Å; Q251-S253 PolarHBondContact O-N 3.44Å | ||
| 254 | K | 52.1 | Low | 61.9 | Low | 163 Ų | 163 | 96.7 Ų | 96.7 | 71% | 0.709 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -93 | 145.1 | -176.9 | -70.1 | -176.8 | -178.5 | 175.8 | 0 | 110.5 | S252 E256 | S252-K254 PolarHBondContact O-N 3.47Å; S252-K254 VanDerWaalsContact O-N 3.13Å; K254-E256 PolarHBondContact O-N 3.26Å |
| 255 | P | 58.7 | Low | 64.3 | Low | 35 Ų | 35 | 96 Ų | 96 | 23% | 0.227 | 51% | 0.511 | C | S | . | . | trans | -58.7 | 135.9 | 172.4 | 27.2 | -28.7 | 0 | 0 | 0 | 108.8 | F257 R258 | P255-F257 PolarHBondContact O-N 2.9Å; P255-R258 HydrophobicContact CB-CG 4.16Å; P255-R258 HydrophobicContact CG-CG 3.62Å | ||
| 256 | E | 65.6 | Low | 66.7 | Low | 97 Ų | 97 | 92.1 Ų | 92.1 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -60.2 | -30 | -177.2 | -166.5 | 168.8 | -173.7 | 0 | 0 | 111.6 | R50 K254 Y266 | R50-E256 IonicContact CZ-OE1 3.01Å; R50-E256 IonicContact CZ-OE2 2.67Å; R50-E256 VanDerWaalsContact NH1-CD 3.29Å; R50-E256 IonicContact NH1-OE1 3.61Å; R50-E256 PolarHBondContact NH1-OE1 2.99Å; R50-E256 IonicContact NH1-OE2 3.8Å; R50-E256 PolarHBondContact NH1-OE2 3.43Å; R50-E256 IonicContact NH2-OE1 2.67Å; R50-E256 PolarHBondContact NH2-OE1 3.48Å; R50-E256 IonicContact NH2-OE2 3.97Å; K254-E256 PolarHBondContact O-N 3.26Å; E256-Y266 VanDerWaalsContact CD-CE2 3.45Å; E256-Y266 VanDerWaalsContact CD-OH 3.24Å; E256-Y266 HydrophobicContact CG-CD2 4.3Å; E256-Y266 HydrophobicContact CG-CE2 3.8Å; E256-Y266 WeakPolarHBondContact OE1-CE2 3.35Å; E256-Y266 VanDerWaalsContact OE1-CZ 3.24Å; E256-Y266 PolarHBondContact OE1-OH 3.49Å; E256-Y266 PolarHBondContact OE2-OH 3.43Å |
| 257 | F | 76.7 | Confident | 68.9 | Low | 16 Ų | 16 | 81.9 Ų | 81.9 | 7% | 0.07 | 44% | 0.436 | C | S | . | . | trans | -157.5 | 157.4 | 174.7 | 45.8 | -89.9 | 0 | 0 | 0 | 110.4 | L232 L233 Q236 P255 T263 Y266 | L232-F257 HydrophobicContact CB-CE2 4.18Å; L232-F257 HydrophobicContact CB-CZ 4.01Å; L233-F257 HydrophobicContact CD2-CD2 4.05Å; L233-F257 HydrophobicContact CD2-CE2 4.15Å; L233-F257 HydrophobicContact CG-CE2 4.39Å; Q236-F257 HydrophobicContact CG-CE1 4.48Å; Q236-F257 HydrophobicContact CG-CE2 4.04Å; Q236-F257 HydrophobicContact CG-CZ 3.83Å; Q236-F257 VanDerWaalsContact NE2-CG 3.33Å; Q236-F257 PolarHBondContact NE2-O 3.42Å; P255-F257 PolarHBondContact O-N 2.9Å; F257-T263 HydrophobicContact CD2-CG2 3.85Å; F257-T263 WeakPolarHBondContact CD2-OG1 3.26Å; F257-T263 HydrophobicContact CE2-CG2 3.53Å; F257-T263 WeakPolarHBondContact CE2-OG1 3.49Å; F257-T263 HydrophobicContact CZ-CG2 4.26Å; F257-Y266 AromaticContact CD1-CD1 3.63Å; F257-Y266 HydrophobicContact CD1-CD1 3.63Å; F257-Y266 AromaticContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CE1 4.09Å; F257-Y266 HydrophobicContact CD1-CE2 4.3Å; F257-Y266 AromaticContact CD1-CG 3.48Å; F257-Y266 HydrophobicContact CD1-CG 3.48Å; F257-Y266 VanDerWaalsContact CD1-CG 3.48Å; F257-Y266 AromaticContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD2 4.27Å; F257-Y266 AromaticContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE2 4.38Å; F257-Y266 AromaticContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CG-CG 4.28Å; F257-Y266 HydrophobicContact CZ-CD1 4.09Å; F257-Y266 HydrophobicContact CZ-CE1 4.3Å | ||
| 258 | R | 81.3 | Confident | 71.4 | Confident | 185 Ų | 185 | 85.3 Ų | 85.3 | 70% | 0.698 | 43% | 0.429 | S | S | * | . | trans | -132.2 | 141.1 | 176.1 | -63.3 | -177.9 | 77 | 176 | 2.2 | 110.7 | P255 | P255-R258 HydrophobicContact CB-CG 4.16Å; P255-R258 HydrophobicContact CG-CG 3.62Å | ||
| 259 | G | 88.6 | Confident | 74.3 | Confident | 32 Ų | 32 | 82.4 Ų | 82.4 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | 68.2 | 171.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.4 | F261 G262 T263 | G259-F261 PolarHBondContact O-N 3.41Å; G259-G262 PolarHBondContact O-N 2.63Å; G259-T263 PolarHBondContact O-N 2.88Å; G259-T263 VanDerWaalsContact O-N 3.1Å; G259-T263 PolarHBondContact O-OG1 2.83Å |
| 260 | L | 92.2 | Very high | 76.4 | Confident | 37 Ų | 37 | 81 Ų | 81 | 19% | 0.194 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -56.7 | -50 | -176.3 | 175.4 | 53.7 | 0 | 0 | 0 | 112.7 | T174 L226 C229 G262 T263 A264 | T174-L260 HydrophobicContact CG2-CD1 3.9Å; L226-L260 HydrophobicContact CD2-CD1 3.8Å; L226-L260 HydrophobicContact CD2-CD2 3.75Å; L226-L260 HydrophobicContact CD2-CG 4.41Å; C229-L260 HydrophobicContact CB-CD1 3.59Å; L260-G262 PolarHBondContact O-N 3.1Å; L260-T263 PolarHBondContact O-N 3.34Å; L260-A264 WeakPolarHBondContact O-CB 3.24Å; L260-A264 PolarHBondContact O-N 3.43Å |
| 261 | F | 93.5 | Very high | 78.6 | Confident | 169 Ų | 169 | 77.1 Ų | 77.1 | 74% | 0.741 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | -176 | -173.4 | -98.3 | 0 | 0 | 0 | 112.7 | G259 T263 A264 M265 | G259-F261 PolarHBondContact O-N 3.41Å; F261-T263 VanDerWaalsContact C-N 3.34Å; F261-T263 PolarHBondContact O-N 2.91Å; F261-A264 PolarHBondContact O-N 3.02Å; F261-M265 WeakPolarHBondContact O-CB 3.29Å; F261-M265 PolarHBondContact O-N 3.03Å |
| 262 | G | 91.2 | Very high | 80.9 | Confident | 24 Ų | 24 | 71.2 Ų | 71.2 | 25% | 0.247 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | G259 L260 Y266 | G259-G262 PolarHBondContact O-N 2.63Å; L260-G262 PolarHBondContact O-N 3.1Å; G262-Y266 WeakPolarHBondContact O-CB 3.47Å; G262-Y266 PolarHBondContact O-N 2.83Å |
| 263 | T | 92 | Very high | 83.3 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 174.8 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | C229 L232 L233 F257 G259 L260 F261 Y266 V267 | C229-T263 HydrophobicContact CB-CG2 3.91Å; L232-T263 HydrophobicContact CB-CG2 3.79Å; L232-T263 HydrophobicContact CD1-CG2 4.07Å; L233-T263 VanDerWaalsContact CD2-OG1 3.23Å; L233-T263 WeakPolarHBondContact CD2-OG1 3.49Å; L233-T263 HydrophobicContact CG-CG2 4.46Å; L233-T263 WeakPolarHBondContact CG-OG1 3.1Å; F257-T263 HydrophobicContact CD2-CG2 3.85Å; F257-T263 WeakPolarHBondContact CD2-OG1 3.26Å; F257-T263 HydrophobicContact CE2-CG2 3.53Å; F257-T263 WeakPolarHBondContact CE2-OG1 3.49Å; F257-T263 HydrophobicContact CZ-CG2 4.26Å; G259-T263 PolarHBondContact O-N 2.88Å; G259-T263 VanDerWaalsContact O-N 3.1Å; G259-T263 PolarHBondContact O-OG1 2.83Å; L260-T263 PolarHBondContact O-N 3.34Å; F261-T263 VanDerWaalsContact C-N 3.34Å; F261-T263 PolarHBondContact O-N 2.91Å; T263-Y266 WeakPolarHBondContact O-CB 3.32Å; T263-Y266 PolarHBondContact O-N 2.97Å; T263-V267 HydrophobicContact CG2-CG2 4.34Å; T263-V267 WeakPolarHBondContact O-CG2 3.24Å; T263-V267 PolarHBondContact O-N 3.29Å |
| 264 | A | 94.1 | Very high | 85.3 | Confident | 25 Ų | 25 | 80.1 Ų | 80.1 | 21% | 0.207 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L260 F261 Y266 V267 Y268 F276 | L260-A264 WeakPolarHBondContact O-CB 3.24Å; L260-A264 PolarHBondContact O-N 3.43Å; F261-A264 PolarHBondContact O-N 3.02Å; A264-Y266 VanDerWaalsContact C-N 3.3Å; A264-Y266 PolarHBondContact O-N 3.29Å; A264-V267 PolarHBondContact O-N 3.41Å; A264-Y268 WeakPolarHBondContact O-CB 3.35Å; A264-Y268 PolarHBondContact O-N 3.31Å; A264-F276 HydrophobicContact CB-CE1 4.07Å; A264-F276 HydrophobicContact CB-CZ 4.09Å; A264-F276 VanDerWaalsContact O-CZ 3.31Å; A264-F276 WeakPolarHBondContact O-CZ 2.99Å |
| 265 | M | 93.8 | Very high | 87 | Confident | 105 Ų | 105 | 72.3 Ų | 72.3 | 52% | 0.517 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.5 | -43.1 | 174.6 | -169.5 | -178.1 | -164.5 | 0 | 0 | 111.2 | F261 Y268 Q269 | F261-M265 WeakPolarHBondContact O-CB 3.29Å; F261-M265 PolarHBondContact O-N 3.03Å; M265-Y268 PolarHBondContact O-N 3.4Å; M265-Q269 WeakPolarHBondContact O-CB 3.26Å; M265-Q269 VanDerWaalsContact O-CG 3.29Å; M265-Q269 WeakPolarHBondContact O-CG 3.27Å; M265-Q269 PolarHBondContact O-N 3.06Å |
| 266 | Y | 90 | Very high | 88.7 | Confident | 21 Ų | 21 | 72.2 Ų | 72.2 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.1 | 177 | -101.4 | 0 | 0 | 0 | 112.8 | L49 R50 E256 F257 G262 T263 A264 Y268 Q269 M270 | L49-Y266 HydrophobicContact CD1-CD1 3.99Å; L49-Y266 HydrophobicContact CD1-CE1 3.82Å; R50-Y266 PolarHBondContact NH2-OH 3.47Å; E256-Y266 VanDerWaalsContact CD-CE2 3.45Å; E256-Y266 VanDerWaalsContact CD-OH 3.24Å; E256-Y266 HydrophobicContact CG-CD2 4.3Å; E256-Y266 HydrophobicContact CG-CE2 3.8Å; E256-Y266 WeakPolarHBondContact OE1-CE2 3.35Å; E256-Y266 VanDerWaalsContact OE1-CZ 3.24Å; E256-Y266 PolarHBondContact OE1-OH 3.49Å; E256-Y266 PolarHBondContact OE2-OH 3.43Å; F257-Y266 AromaticContact CD1-CD1 3.63Å; F257-Y266 HydrophobicContact CD1-CD1 3.63Å; F257-Y266 AromaticContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CD2 3.86Å; F257-Y266 HydrophobicContact CD1-CE1 4.09Å; F257-Y266 HydrophobicContact CD1-CE2 4.3Å; F257-Y266 AromaticContact CD1-CG 3.48Å; F257-Y266 HydrophobicContact CD1-CG 3.48Å; F257-Y266 VanDerWaalsContact CD1-CG 3.48Å; F257-Y266 AromaticContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD1 3.39Å; F257-Y266 HydrophobicContact CE1-CD2 4.27Å; F257-Y266 AromaticContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE1 3.52Å; F257-Y266 HydrophobicContact CE1-CE2 4.38Å; F257-Y266 AromaticContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CE1-CG 3.78Å; F257-Y266 HydrophobicContact CG-CG 4.28Å; F257-Y266 HydrophobicContact CZ-CD1 4.09Å; F257-Y266 HydrophobicContact CZ-CE1 4.3Å; G262-Y266 WeakPolarHBondContact O-CB 3.47Å; G262-Y266 PolarHBondContact O-N 2.83Å; T263-Y266 WeakPolarHBondContact O-CB 3.32Å; T263-Y266 PolarHBondContact O-N 2.97Å; A264-Y266 VanDerWaalsContact C-N 3.3Å; A264-Y266 PolarHBondContact O-N 3.29Å; Y266-Y268 VanDerWaalsContact C-N 3.31Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y266-Q269 PolarHBondContact O-N 2.92Å; Y266-M270 HydrophobicContact CD1-CG 4.39Å; Y266-M270 HydrophobicContact CD2-CG 4.14Å; Y266-M270 HydrophobicContact CE1-CG 4Å; Y266-M270 HydrophobicContact CE2-CG 3.72Å; Y266-M270 HydrophobicContact CE2-SD 4.19Å; Y266-M270 HydrophobicContact CG-CG 4.47Å; Y266-M270 WeakPolarHBondContact O-CB 2.98Å; Y266-M270 WeakPolarHBondContact O-CG 3.33Å; Y266-M270 PolarHBondContact O-N 3.29Å |
| 267 | V | 91.6 | Very high | 90 | Very high | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58 | -46.6 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | L49 V228 L232 T263 A264 M270 T271 F276 | L49-V267 HydrophobicContact CD1-CB 4.19Å; L49-V267 HydrophobicContact CD1-CG1 4.4Å; L49-V267 HydrophobicContact CD1-CG2 3.81Å; V228-V267 HydrophobicContact CG1-CG2 4.24Å; L232-V267 HydrophobicContact CD1-CG2 3.39Å; T263-V267 HydrophobicContact CG2-CG2 4.34Å; T263-V267 WeakPolarHBondContact O-CG2 3.24Å; T263-V267 PolarHBondContact O-N 3.29Å; A264-V267 PolarHBondContact O-N 3.41Å; V267-M270 PolarHBondContact O-N 3.44Å; V267-T271 PolarHBondContact O-N 3.4Å; V267-T271 PolarHBondContact O-OG1 3.37Å; V267-T271 VanDerWaalsContact O-OG1 3.07Å; V267-F276 HydrophobicContact CB-CD1 4.43Å; V267-F276 HydrophobicContact CB-CE1 3.88Å; V267-F276 HydrophobicContact CB-CE2 4.22Å; V267-F276 HydrophobicContact CB-CZ 3.77Å; V267-F276 HydrophobicContact CG1-CD1 3.88Å; V267-F276 HydrophobicContact CG1-CD2 3.88Å; V267-F276 HydrophobicContact CG1-CE1 3.8Å; V267-F276 HydrophobicContact CG1-CE2 3.79Å; V267-F276 HydrophobicContact CG1-CG 3.94Å; V267-F276 HydrophobicContact CG1-CZ 3.77Å; V267-F276 HydrophobicContact CG2-CE1 4.29Å |
| 268 | Y | 93 | Very high | 90.7 | Very high | 142 Ų | 142 | 74.1 Ų | 74.1 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 179.5 | -177.1 | -101.5 | 0 | 0 | 0 | 111.9 | A264 M265 Y266 G272 L273 | A264-Y268 WeakPolarHBondContact O-CB 3.35Å; A264-Y268 PolarHBondContact O-N 3.31Å; M265-Y268 PolarHBondContact O-N 3.4Å; Y266-Y268 VanDerWaalsContact C-N 3.31Å; Y266-Y268 PolarHBondContact O-N 3.32Å; Y268-G272 WeakPolarHBondContact O-CA 3.35Å; Y268-G272 PolarHBondContact O-N 3.37Å; Y268-L273 HydrophobicContact CD2-CD2 4.24Å; Y268-L273 HydrophobicContact CE2-CD2 4.23Å; Y268-L273 HydrophobicContact CE2-CG 4.26Å |
| 269 | Q | 90.9 | Very high | 91.2 | Very high | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.612 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.1 | -39.1 | 177.3 | -74.2 | 174.3 | -15.6 | 0 | 0 | 112.8 | M265 Y266 | M265-Q269 WeakPolarHBondContact O-CB 3.26Å; M265-Q269 VanDerWaalsContact O-CG 3.29Å; M265-Q269 WeakPolarHBondContact O-CG 3.27Å; M265-Q269 PolarHBondContact O-N 3.06Å; Y266-Q269 PolarHBondContact O-N 2.92Å |
| 270 | M | 84 | Confident | 91.4 | Very high | 89 Ų | 89 | 66.4 Ų | 66.4 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -77.9 | -38.4 | -175.5 | -73.6 | -66.3 | -67.6 | 0 | 0 | 113.8 | L49 Y266 V267 | L49-M270 HydrophobicContact CD1-CB 4.42Å; Y266-M270 HydrophobicContact CD1-CG 4.39Å; Y266-M270 HydrophobicContact CD2-CG 4.14Å; Y266-M270 HydrophobicContact CE1-CG 4Å; Y266-M270 HydrophobicContact CE2-CG 3.72Å; Y266-M270 HydrophobicContact CE2-SD 4.19Å; Y266-M270 HydrophobicContact CG-CG 4.47Å; Y266-M270 WeakPolarHBondContact O-CB 2.98Å; Y266-M270 WeakPolarHBondContact O-CG 3.33Å; Y266-M270 PolarHBondContact O-N 3.29Å; V267-M270 PolarHBondContact O-N 3.44Å |
| 271 | T | 86.9 | Confident | 91.4 | Very high | 45 Ų | 45 | 66.6 Ų | 66.6 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -140.9 | 1 | -169.1 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | L49 V267 G275 | L49-T271 HydrophobicContact CD2-CG2 4.09Å; V267-T271 PolarHBondContact O-N 3.4Å; V267-T271 PolarHBondContact O-OG1 3.37Å; V267-T271 VanDerWaalsContact O-OG1 3.07Å; T271-G275 WeakPolarHBondContact OG1-CA 3.49Å; T271-G275 PolarHBondContact OG1-N 2.92Å |
| 272 | G | 91.1 | Very high | 91.4 | Very high | 22 Ų | 22 | 58.6 Ų | 58.6 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | 64.8 | -156.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y268 R274 G275 | Y268-G272 WeakPolarHBondContact O-CA 3.35Å; Y268-G272 PolarHBondContact O-N 3.37Å; G272-R274 PolarHBondContact O-N 3.2Å; G272-G275 PolarHBondContact O-N 3.46Å; G272-G275 VanDerWaalsContact O-N 3.1Å |
| 273 | L | 92.6 | Very high | 91.5 | Very high | 131 Ų | 131 | 58.7 Ų | 58.7 | 69% | 0.686 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -61.6 | -27.4 | -178.5 | -66 | 173.7 | 0 | 0 | 0 | 113.4 | Y268 G275 F276 | Y268-L273 HydrophobicContact CD2-CD2 4.24Å; Y268-L273 HydrophobicContact CE2-CD2 4.23Å; Y268-L273 HydrophobicContact CE2-CG 4.26Å; L273-G275 PolarHBondContact O-N 3.01Å; L273-F276 PolarHBondContact O-N 2.99Å |
| 274 | R | 90.7 | Very high | 91.5 | Very high | 213 Ų | 213 | 61.8 Ų | 61.8 | 80% | 0.804 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -64.9 | -22 | 176.9 | -76.5 | 179.8 | 150.7 | -179.5 | -5.9 | 113.4 | G272 F276 T277 | G272-R274 PolarHBondContact O-N 3.2Å; R274-F276 VanDerWaalsContact C-N 3.28Å; R274-F276 PolarHBondContact O-N 2.95Å; R274-T277 PolarHBondContact O-N 3.32Å; R274-T277 PolarHBondContact O-OG1 3.01Å |
| 275 | G | 89.6 | Confident | 91.4 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | G | 310 helix | trans | -60.9 | -40 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | T271 G272 L273 T277 R278 | T271-G275 WeakPolarHBondContact OG1-CA 3.49Å; T271-G275 PolarHBondContact OG1-N 2.92Å; G272-G275 PolarHBondContact O-N 3.46Å; G272-G275 VanDerWaalsContact O-N 3.1Å; L273-G275 PolarHBondContact O-N 3.01Å; G275-T277 PolarHBondContact O-N 3.27Å; G275-R278 WeakPolarHBondContact O-CB 3.33Å; G275-R278 PolarHBondContact O-N 3.43Å |
| 276 | F | 93.9 | Very high | 91.3 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 15% | 0.145 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -73.3 | -13.2 | -177.8 | -62.9 | -77.4 | 0 | 0 | 0 | 114 | N224 P225 A264 V267 L273 R274 | N224-F276 PolarHBondContact ND2-O 3.44Å; P225-F276 HydrophobicContact CB-CB 3.96Å; P225-F276 HydrophobicContact CB-CD1 3.82Å; P225-F276 HydrophobicContact CB-CG 4.23Å; P225-F276 HydrophobicContact CG-CB 4.14Å; A264-F276 HydrophobicContact CB-CE1 4.07Å; A264-F276 HydrophobicContact CB-CZ 4.09Å; A264-F276 VanDerWaalsContact O-CZ 3.31Å; A264-F276 WeakPolarHBondContact O-CZ 2.99Å; V267-F276 HydrophobicContact CB-CD1 4.43Å; V267-F276 HydrophobicContact CB-CE1 3.88Å; V267-F276 HydrophobicContact CB-CE2 4.22Å; V267-F276 HydrophobicContact CB-CZ 3.77Å; V267-F276 HydrophobicContact CG1-CD1 3.88Å; V267-F276 HydrophobicContact CG1-CD2 3.88Å; V267-F276 HydrophobicContact CG1-CE1 3.8Å; V267-F276 HydrophobicContact CG1-CE2 3.79Å; V267-F276 HydrophobicContact CG1-CG 3.94Å; V267-F276 HydrophobicContact CG1-CZ 3.77Å; V267-F276 HydrophobicContact CG2-CE1 4.29Å; L273-F276 PolarHBondContact O-N 2.99Å; R274-F276 VanDerWaalsContact C-N 3.28Å; R274-F276 PolarHBondContact O-N 2.95Å |
| 277 | T | 93.4 | Very high | 91.4 | Very high | 76 Ų | 76 | 60.9 Ų | 60.9 | 47% | 0.466 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -93.8 | -0.4 | 175.8 | 61.7 | 0 | 0 | 0 | 0 | 112.6 | R274 G275 I280 | R274-T277 PolarHBondContact O-N 3.32Å; R274-T277 PolarHBondContact O-OG1 3.01Å; G275-T277 PolarHBondContact O-N 3.27Å; T277-I280 WeakPolarHBondContact O-CB 3.49Å; T277-I280 WeakPolarHBondContact O-CG2 3.41Å; T277-I280 PolarHBondContact O-N 2.98Å |
| 278 | R | 90.2 | Very high | 91.3 | Very high | 77 Ų | 77 | 64 Ų | 64 | 29% | 0.291 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | 137.9 | 177.1 | -73.5 | -166.6 | 177.8 | -171.4 | 2.3 | 110.9 | M46 C48 L49 N224 V228 G275 I280 | M46-R278 WeakPolarHBondContact O-CD 3.48Å; C48-R278 PolarHBondContact O-NH1 2.87Å; L49-R278 PolarHBondContact O-NH1 2.85Å; N224-R278 PolarHBondContact ND2-O 3.38Å; V228-R278 WeakPolarHBondContact CG2-O 3.4Å; G275-R278 WeakPolarHBondContact O-CB 3.33Å; G275-R278 PolarHBondContact O-N 3.43Å; R278-I280 PolarHBondContact O-N 2.9Å |
| 279 | G | 91.6 | Very high | 91.1 | Very high | 2 Ų | 2 | 60.4 Ų | 60.4 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | -3.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S281 A282 R283 | G279-S281 VanDerWaalsContact C-N 3.28Å; G279-S281 PolarHBondContact O-N 2.9Å; G279-A282 WeakPolarHBondContact O-CB 3.4Å; G279-A282 PolarHBondContact O-N 3.45Å; G279-R283 PolarHBondContact O-N 3.49Å; G279-R283 VanDerWaalsContact O-N 3.1Å |
| 280 | I | 93.5 | Very high | 90.9 | Very high | 52 Ų | 52 | 54.6 Ų | 54.6 | 27% | 0.267 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59 | -39.9 | -178.4 | -163.5 | 172.6 | 0 | 0 | 0 | 112.3 | A221 N224 T277 R278 A282 R283 I284 | A221-I280 HydrophobicContact CB-CD1 4.16Å; N224-I280 HydrophobicContact CB-CG1 4.4Å; N224-I280 WeakPolarHBondContact OD1-CA 3.11Å; N224-I280 PolarHBondContact OD1-N 3.36Å; T277-I280 WeakPolarHBondContact O-CB 3.49Å; T277-I280 WeakPolarHBondContact O-CG2 3.41Å; T277-I280 PolarHBondContact O-N 2.98Å; R278-I280 PolarHBondContact O-N 2.9Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 3.16Å; I280-R283 PolarHBondContact O-N 2.86Å; I280-I284 HydrophobicContact CD1-CD1 4.3Å; I280-I284 HydrophobicContact CG1-CD1 3.83Å; I280-I284 HydrophobicContact CG1-CG1 4.34Å; I280-I284 WeakPolarHBondContact O-CG1 3.29Å; I280-I284 PolarHBondContact O-N 3.48Å |
| 281 | S | 92 | Very high | 91.1 | Very high | 42 Ų | 42 | 52 Ų | 52 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 177.5 | 55.7 | 0 | 0 | 0 | 0 | 111.9 | M46 G279 L285 | M46-S281 WeakPolarHBondContact CE-OG 3.23Å; G279-S281 VanDerWaalsContact C-N 3.28Å; G279-S281 PolarHBondContact O-N 2.9Å; S281-L285 VanDerWaalsContact O-CB 3.25Å; S281-L285 WeakPolarHBondContact O-CB 3.38Å; S281-L285 WeakPolarHBondContact O-CD1 3.11Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 3.33Å |
| 282 | A | 92.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.8 | -49.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | K43 M46 L60 G279 I280 I284 T286 | K43-A282 HydrophobicContact CB-CB 3.9Å; K43-A282 HydrophobicContact CG-CB 4.07Å; M46-A282 HydrophobicContact SD-CB 4.25Å; L60-A282 HydrophobicContact CB-CB 4.35Å; L60-A282 HydrophobicContact CD1-CB 4.03Å; G279-A282 WeakPolarHBondContact O-CB 3.4Å; G279-A282 PolarHBondContact O-N 3.45Å; I280-A282 VanDerWaalsContact C-N 3.3Å; I280-A282 PolarHBondContact O-N 3.16Å; A282-I284 PolarHBondContact O-N 3.03Å; A282-T286 WeakPolarHBondContact O-CB 2.94Å; A282-T286 WeakPolarHBondContact O-CG2 3.42Å; A282-T286 PolarHBondContact O-N 3Å; A282-T286 PolarHBondContact O-OG1 2.89Å |
| 283 | R | 93.1 | Very high | 91 | Very high | 27 Ų | 27 | 52 Ų | 52 | 10% | 0.102 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -39.8 | -177.8 | -58.3 | -174.4 | 67 | 173.8 | -5.3 | 113.8 | K43 A220 T223 N224 D227 G279 I280 T286 A287 | K43-R283 HydrophobicContact CD-CG 3.97Å; A220-R283 HydrophobicContact CB-CB 3.62Å; T223-R283 PolarHBondContact O-NH1 3.15Å; T223-R283 PolarHBondContact OG1-NH1 2.67Å; T223-R283 PolarHBondContact OG1-NH2 3.17Å; N224-R283 VanDerWaalsContact OD1-CD 3.28Å; N224-R283 WeakPolarHBondContact OD1-CD 3.32Å; D227-R283 WeakPolarHBondContact OD2-CD 3.38Å; D227-R283 IonicContact OD2-CZ 3.85Å; D227-R283 IonicContact OD2-NE 3.59Å; D227-R283 IonicContact OD2-NH1 3.68Å; D227-R283 PolarHBondContact OD2-NH1 2.74Å; G279-R283 PolarHBondContact O-N 3.49Å; G279-R283 VanDerWaalsContact O-N 3.1Å; I280-R283 PolarHBondContact O-N 2.86Å; R283-T286 PolarHBondContact O-OG1 3.33Å; R283-T286 VanDerWaalsContact O-OG1 3.07Å; R283-A287 PolarHBondContact O-N 3.44Å |
| 284 | I | 93.5 | Very high | 90.6 | Very high | 64 Ų | 64 | 48 Ų | 48 | 33% | 0.328 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -68.3 | -50.2 | 179.2 | -69.9 | 173.9 | 0 | 0 | 0 | 110.7 | C217 I280 A282 T286 A287 | C217-I284 HydrophobicContact CB-CG2 4.46Å; C217-I284 PolarHBondContact SG-O 2.82Å; I280-I284 HydrophobicContact CD1-CD1 4.3Å; I280-I284 HydrophobicContact CG1-CD1 3.83Å; I280-I284 HydrophobicContact CG1-CG1 4.34Å; I280-I284 WeakPolarHBondContact O-CG1 3.29Å; I280-I284 PolarHBondContact O-N 3.48Å; A282-I284 PolarHBondContact O-N 3.03Å; I284-T286 PolarHBondContact O-N 3.43Å; I284-T286 VanDerWaalsContact O-N 3.11Å; I284-A287 WeakPolarHBondContact O-CB 3.37Å; I284-A287 PolarHBondContact O-N 2.92Å |
| 285 | L | 92.2 | Very high | 90.2 | Very high | 95 Ų | 95 | 40.9 Ų | 40.9 | 50% | 0.497 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -64.7 | -19.6 | -177.4 | -70.3 | 173.3 | 0 | 0 | 0 | 112.9 | L60 S281 P289 | L60-L285 HydrophobicContact CB-CD1 4.12Å; L60-L285 HydrophobicContact CD2-CB 3.79Å; L60-L285 HydrophobicContact CD2-CD1 4.17Å; S281-L285 VanDerWaalsContact O-CB 3.25Å; S281-L285 WeakPolarHBondContact O-CB 3.38Å; S281-L285 WeakPolarHBondContact O-CD1 3.11Å; S281-L285 WeakPolarHBondContact O-CG 3.47Å; S281-L285 PolarHBondContact O-N 3.33Å; L285-P289 VanDerWaalsContact O-CD 3.3Å; L285-P289 WeakPolarHBondContact O-CD 3.5Å |
| 286 | T | 91.6 | Very high | 89.8 | Confident | 25 Ų | 25 | 44 Ų | 44 | 15% | 0.153 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -7.8 | -177.3 | 61.4 | 0 | 0 | 0 | 0 | 113.6 | M36 V39 L60 A282 R283 I284 G290 | M36-T286 HydrophobicContact CE-CG2 4Å; V39-T286 HydrophobicContact CB-CG2 4.41Å; V39-T286 HydrophobicContact CG1-CG2 3.09Å; L60-T286 HydrophobicContact CD2-CG2 3.73Å; A282-T286 WeakPolarHBondContact O-CB 2.94Å; A282-T286 WeakPolarHBondContact O-CG2 3.42Å; A282-T286 PolarHBondContact O-N 3Å; A282-T286 PolarHBondContact O-OG1 2.89Å; R283-T286 PolarHBondContact O-OG1 3.33Å; R283-T286 VanDerWaalsContact O-OG1 3.07Å; I284-T286 PolarHBondContact O-N 3.43Å; I284-T286 VanDerWaalsContact O-N 3.11Å; T286-G290 WeakPolarHBondContact O-CA 3.35Å; T286-G290 PolarHBondContact O-N 2.79Å |
| 287 | A | 91 | Very high | 89.2 | Confident | 12 Ų | 12 | 43.1 Ų | 43.1 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.1 | -56.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | G213 R283 I284 G290 T291 | G213-A287 WeakPolarHBondContact O-CB 3.41Å; R283-A287 PolarHBondContact O-N 3.44Å; I284-A287 WeakPolarHBondContact O-CB 3.37Å; I284-A287 PolarHBondContact O-N 2.92Å; A287-G290 PolarHBondContact O-N 3.48Å; A287-T291 PolarHBondContact O-N 2.95Å; A287-T291 PolarHBondContact O-OG1 3.37Å |
| 288 | V | 89.2 | Confident | 88.4 | Confident | 65 Ų | 65 | 42.7 Ų | 42.7 | 39% | 0.394 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.2 | -50 | -179.7 | -179.9 | 0 | 0 | 0 | 0 | 112.1 | V209 G290 T291 A292 | V209-V288 HydrophobicContact CG1-CG1 4.15Å; V288-G290 VanDerWaalsContact C-N 3.32Å; V288-G290 PolarHBondContact O-N 3.37Å; V288-T291 PolarHBondContact O-N 3.23Å; V288-A292 WeakPolarHBondContact O-CB 3.43Å; V288-A292 PolarHBondContact O-N 2.81Å |
| 289 | P | 89.1 | Confident | 87.8 | Confident | 67 Ų | 67 | 40.8 Ų | 40.8 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.5 | -37.3 | 177.2 | -23.2 | 35.1 | 0 | 0 | 0 | 113.1 | L285 A292 L293 | L285-P289 VanDerWaalsContact O-CD 3.3Å; L285-P289 WeakPolarHBondContact O-CD 3.5Å; P289-A292 PolarHBondContact O-N 2.98Å; P289-L293 WeakPolarHBondContact O-CB 3.28Å; P289-L293 PolarHBondContact O-N 3.5Å |
| 290 | G | 88 | Confident | 87.2 | Confident | 10 Ų | 10 | 47 Ų | 47 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -48 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | T286 A287 V288 L293 S294 | T286-G290 WeakPolarHBondContact O-CA 3.35Å; T286-G290 PolarHBondContact O-N 2.79Å; A287-G290 PolarHBondContact O-N 3.48Å; V288-G290 VanDerWaalsContact C-N 3.32Å; V288-G290 PolarHBondContact O-N 3.37Å; G290-L293 PolarHBondContact O-N 3.37Å; G290-S294 WeakPolarHBondContact O-CB 3.35Å; G290-S294 PolarHBondContact O-N 2.92Å |
| 291 | T | 87.3 | Confident | 86.4 | Confident | 34 Ų | 34 | 46.4 Ų | 46.4 | 21% | 0.209 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 174.8 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | A287 V288 L293 S294 W295 | A287-T291 PolarHBondContact O-N 2.95Å; A287-T291 PolarHBondContact O-OG1 3.37Å; V288-T291 PolarHBondContact O-N 3.23Å; T291-L293 VanDerWaalsContact C-N 3.3Å; T291-L293 PolarHBondContact O-N 3.48Å; T291-S294 PolarHBondContact O-N 3.48Å; T291-W295 WeakPolarHBondContact O-CB 3.39Å; T291-W295 PolarHBondContact O-N 3.42Å |
| 292 | A | 88.8 | Confident | 85.3 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 25% | 0.248 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V209 V288 P289 S296 | V209-A292 HydrophobicContact CG1-CB 3.66Å; V209-A292 HydrophobicContact CG2-CB 4.36Å; V288-A292 WeakPolarHBondContact O-CB 3.43Å; V288-A292 PolarHBondContact O-N 2.81Å; P289-A292 PolarHBondContact O-N 2.98Å; A292-S296 VanDerWaalsContact O-CB 3.26Å; A292-S296 WeakPolarHBondContact O-CB 3.37Å; A292-S296 PolarHBondContact O-N 2.93Å; A292-S296 PolarHBondContact O-OG 3.36Å |
| 293 | L | 87.6 | Confident | 84.4 | Confident | 37 Ų | 37 | 52.5 Ų | 52.5 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.5 | -51.1 | 178.6 | -178.4 | 67.7 | 0 | 0 | 0 | 111.4 | E32 V35 M36 P289 G290 T291 W295 S296 V297 | E32-L293 HydrophobicContact CB-CD2 4.32Å; E32-L293 HydrophobicContact CG-CD2 3.85Å; E32-L293 HydrophobicContact CG-CG 4.27Å; V35-L293 HydrophobicContact CB-CD1 4.49Å; V35-L293 HydrophobicContact CB-CD2 3.76Å; V35-L293 HydrophobicContact CG1-CD1 4.16Å; V35-L293 HydrophobicContact CG1-CD2 3.64Å; M36-L293 HydrophobicContact CG-CD2 3.77Å; M36-L293 HydrophobicContact SD-CD2 4.28Å; P289-L293 WeakPolarHBondContact O-CB 3.28Å; P289-L293 PolarHBondContact O-N 3.5Å; G290-L293 PolarHBondContact O-N 3.37Å; T291-L293 VanDerWaalsContact C-N 3.3Å; T291-L293 PolarHBondContact O-N 3.48Å; L293-W295 VanDerWaalsContact C-N 3.28Å; L293-W295 PolarHBondContact O-N 3.23Å; L293-S296 PolarHBondContact O-N 2.83Å; L293-V297 HydrophobicContact CD1-CG2 3.92Å; L293-V297 HydrophobicContact CG-CG2 4.25Å; L293-V297 WeakPolarHBondContact O-CB 3.23Å; L293-V297 WeakPolarHBondContact O-CG2 3.23Å; L293-V297 PolarHBondContact O-N 2.85Å |
| 294 | S | 83.3 | Confident | 83.5 | Confident | 48 Ų | 48 | 58 Ų | 58 | 34% | 0.336 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -56.1 | -45.7 | 179.6 | -156.9 | 0 | 0 | 0 | 0 | 111 | E32 G290 T291 Y298 | E32-S294 VanDerWaalsContact OE2-CB 3.24Å; E32-S294 WeakPolarHBondContact OE2-CB 3.24Å; E32-S294 PolarHBondContact OE2-OG 3.44Å; G290-S294 WeakPolarHBondContact O-CB 3.35Å; G290-S294 PolarHBondContact O-N 2.92Å; T291-S294 PolarHBondContact O-N 3.48Å; S294-Y298 VanDerWaalsContact O-CB 3.31Å; S294-Y298 WeakPolarHBondContact O-CB 3.34Å; S294-Y298 PolarHBondContact O-N 3.13Å |
| 295 | W | 81.7 | Confident | 82.3 | Confident | 62 Ų | 62 | 57.6 Ų | 57.6 | 24% | 0.235 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.6 | -48.1 | 177 | -165.8 | 86.6 | 0 | 0 | 0 | 112.5 | Y203 P205 T291 L293 V297 Y298 E299 | Y203-W295 HydrophobicContact CE2-CZ2 4.39Å; P205-W295 HydrophobicContact CB-CE3 4.44Å; P205-W295 HydrophobicContact CB-CH2 3.33Å; P205-W295 HydrophobicContact CB-CZ2 3.73Å; P205-W295 HydrophobicContact CB-CZ3 3.72Å; P205-W295 HydrophobicContact CG-CH2 3.45Å; P205-W295 VanDerWaalsContact CG-CH2 3.45Å; P205-W295 HydrophobicContact CG-CZ2 3.86Å; P205-W295 HydrophobicContact CG-CZ3 4.26Å; T291-W295 WeakPolarHBondContact O-CB 3.39Å; T291-W295 PolarHBondContact O-N 3.42Å; L293-W295 VanDerWaalsContact C-N 3.28Å; L293-W295 PolarHBondContact O-N 3.23Å; W295-V297 VanDerWaalsContact C-N 3.29Å; W295-V297 PolarHBondContact O-N 3.46Å; W295-Y298 PolarHBondContact O-N 3.15Å; W295-E299 HydrophobicContact CD2-CG 3.94Å; W295-E299 HydrophobicContact CE3-CG 3.77Å; W295-E299 HydrophobicContact CH2-CG 3.35Å; W295-E299 HydrophobicContact CZ2-CG 3.56Å; W295-E299 HydrophobicContact CZ3-CB 4.46Å; W295-E299 HydrophobicContact CZ3-CG 3.48Å; W295-E299 VanDerWaalsContact CZ3-CG 3.48Å; W295-E299 PolarHBondContact O-N 3.23Å |
| 296 | S | 83.1 | Confident | 81 | Confident | 66 Ų | 66 | 58.5 Ų | 58.5 | 46% | 0.462 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 179.8 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | A292 L293 Y300 | A292-S296 VanDerWaalsContact O-CB 3.26Å; A292-S296 WeakPolarHBondContact O-CB 3.37Å; A292-S296 PolarHBondContact O-N 2.93Å; A292-S296 PolarHBondContact O-OG 3.36Å; L293-S296 PolarHBondContact O-N 2.83Å; S296-Y300 WeakPolarHBondContact O-CB 3.4Å; S296-Y300 PolarHBondContact O-N 3.32Å |
| 297 | V | 81.2 | Confident | 79.2 | Confident | 15 Ų | 15 | 59.5 Ų | 59.5 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.7 | -40.5 | 179.5 | 179.8 | 0 | 0 | 0 | 0 | 110.5 | A28 M31 L293 W295 Y300 F301 | A28-V297 HydrophobicContact CB-CB 4.31Å; A28-V297 HydrophobicContact CB-CG1 3.55Å; M31-V297 HydrophobicContact CB-CG1 4.06Å; M31-V297 HydrophobicContact CG-CG1 4.31Å; M31-V297 HydrophobicContact CG-CG2 4.19Å; L293-V297 HydrophobicContact CD1-CG2 3.92Å; L293-V297 HydrophobicContact CG-CG2 4.25Å; L293-V297 WeakPolarHBondContact O-CB 3.23Å; L293-V297 WeakPolarHBondContact O-CG2 3.23Å; L293-V297 PolarHBondContact O-N 2.85Å; W295-V297 VanDerWaalsContact C-N 3.29Å; W295-V297 PolarHBondContact O-N 3.46Å; V297-Y300 PolarHBondContact O-N 3.36Å; V297-F301 HydrophobicContact CG1-CD2 3.69Å; V297-F301 HydrophobicContact CG1-CE2 3.57Å; V297-F301 VanDerWaalsContact O-CD2 3.26Å; V297-F301 WeakPolarHBondContact O-CD2 3.18Å; V297-F301 PolarHBondContact O-N 3.46Å |
| 298 | Y | 76.6 | Confident | 76.9 | Confident | 66 Ų | 66 | 64.8 Ų | 64.8 | 26% | 0.259 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 173.2 | 176.6 | -103 | 0 | 0 | 0 | 111.9 | E10 S294 W295 Y300 F301 K302 | E10-Y298 PolarHBondContact O-OH 2.99Å; S294-Y298 VanDerWaalsContact O-CB 3.31Å; S294-Y298 WeakPolarHBondContact O-CB 3.34Å; S294-Y298 PolarHBondContact O-N 3.13Å; W295-Y298 PolarHBondContact O-N 3.15Å; Y298-Y300 VanDerWaalsContact C-N 3.33Å; Y298-Y300 PolarHBondContact O-N 2.84Å; Y298-F301 PolarHBondContact O-N 3.35Å; Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 VanDerWaalsContact O-CB 3.29Å; Y298-K302 WeakPolarHBondContact O-CB 3.2Å; Y298-K302 PolarHBondContact O-N 3.35Å |
| 299 | E | 76.2 | Confident | 74.6 | Confident | 38 Ų | 38 | 67.4 Ų | 67.4 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.6 | -74.1 | -53.7 | 127.9 | 0 | 0 | 112.3 | Y9 W295 F301 K302 W303 | Y9-E299 PolarHBondContact OH-OE1 3.1Å; Y9-E299 VanDerWaalsContact OH-OE1 3.1Å; Y9-E299 PolarHBondContact OH-OE2 3.38Å; W295-E299 HydrophobicContact CD2-CG 3.94Å; W295-E299 HydrophobicContact CE3-CG 3.77Å; W295-E299 HydrophobicContact CH2-CG 3.35Å; W295-E299 HydrophobicContact CZ2-CG 3.56Å; W295-E299 HydrophobicContact CZ3-CB 4.46Å; W295-E299 HydrophobicContact CZ3-CG 3.48Å; W295-E299 VanDerWaalsContact CZ3-CG 3.48Å; W295-E299 PolarHBondContact O-N 3.23Å; E299-F301 PolarHBondContact O-N 3.43Å; E299-K302 PolarHBondContact O-N 3.06Å; E299-K302 WeakPolarHBondContact OE1-CE 3.46Å; E299-K302 IonicContact OE1-NZ 3.37Å; E299-K302 PolarHBondContact OE1-NZ 2.96Å; E299-K302 WeakPolarHBondContact OE2-CE 3.46Å; E299-K302 IonicContact OE2-NZ 2.78Å; E299-K302 PolarHBondContact OE2-NZ 3.31Å; E299-W303 WeakPolarHBondContact O-CB 3.24Å; E299-W303 PolarHBondContact O-N 3.44Å |
| 300 | Y | 79.6 | Confident | 71.8 | Confident | 133 Ų | 133 | 73.4 Ų | 73.4 | 52% | 0.522 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.4 | -48.9 | 177.8 | 175.1 | -96 | 0 | 0 | 0 | 111.8 | S296 V297 Y298 W303 R304 | S296-Y300 WeakPolarHBondContact O-CB 3.4Å; S296-Y300 PolarHBondContact O-N 3.32Å; V297-Y300 PolarHBondContact O-N 3.36Å; Y298-Y300 VanDerWaalsContact C-N 3.33Å; Y298-Y300 PolarHBondContact O-N 2.84Å; Y300-W303 PolarHBondContact O-N 3.41Å; Y300-R304 WeakPolarHBondContact O-CB 3.48Å; Y300-R304 PolarHBondContact O-N 3.41Å |
| 301 | F | 75.6 | Confident | 69 | Low | 38 Ų | 38 | 77.9 Ų | 77.9 | 17% | 0.167 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.3 | -38 | 179.1 | -79.1 | -69.6 | 0 | 0 | 0 | 112.6 | A24 C27 A28 V297 Y298 E299 W303 R304 L305 | A24-F301 HydrophobicContact CB-CB 3.64Å; A24-F301 HydrophobicContact CB-CG 4.41Å; C27-F301 HydrophobicContact CB-CD1 4.19Å; C27-F301 HydrophobicContact CB-CD2 4.25Å; C27-F301 HydrophobicContact CB-CE1 3.63Å; C27-F301 HydrophobicContact CB-CE2 3.7Å; C27-F301 HydrophobicContact CB-CG 4.5Å; C27-F301 HydrophobicContact CB-CZ 3.38Å; A28-F301 HydrophobicContact CB-CD2 4.05Å; A28-F301 HydrophobicContact CB-CE2 4.45Å; V297-F301 HydrophobicContact CG1-CD2 3.69Å; V297-F301 HydrophobicContact CG1-CE2 3.57Å; V297-F301 VanDerWaalsContact O-CD2 3.26Å; V297-F301 WeakPolarHBondContact O-CD2 3.18Å; V297-F301 PolarHBondContact O-N 3.46Å; Y298-F301 PolarHBondContact O-N 3.35Å; E299-F301 PolarHBondContact O-N 3.43Å; F301-W303 VanDerWaalsContact C-N 3.34Å; F301-W303 PolarHBondContact O-N 2.94Å; F301-R304 PolarHBondContact O-N 3.21Å; F301-L305 WeakPolarHBondContact O-CB 3Å; F301-L305 WeakPolarHBondContact O-CG 3.35Å; F301-L305 PolarHBondContact O-N 3.25Å |
| 302 | K | 70.7 | Confident | 66.6 | Low | 9 Ų | 9 | 85.2 Ų | 85.2 | 4% | 0.039 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -57.5 | -47.1 | 172.1 | 156.8 | 160.9 | 58.5 | 167.2 | 0 | 111.1 | L12 Y298 E299 L305 K306 | L12-K302 HydrophobicContact CD2-CB 3.9Å; L12-K302 HydrophobicContact CD2-CD 3.54Å; L12-K302 HydrophobicContact CD2-CG 3.39Å; L12-K302 HydrophobicContact CG-CB 4.28Å; L12-K302 HydrophobicContact CG-CD 3.86Å; L12-K302 HydrophobicContact CG-CG 4.09Å; Y298-K302 HydrophobicContact CE1-CD 4.34Å; Y298-K302 VanDerWaalsContact O-CB 3.29Å; Y298-K302 WeakPolarHBondContact O-CB 3.2Å; Y298-K302 PolarHBondContact O-N 3.35Å; E299-K302 PolarHBondContact O-N 3.06Å; E299-K302 WeakPolarHBondContact OE1-CE 3.46Å; E299-K302 IonicContact OE1-NZ 3.37Å; E299-K302 PolarHBondContact OE1-NZ 2.96Å; E299-K302 WeakPolarHBondContact OE2-CE 3.46Å; E299-K302 IonicContact OE2-NZ 2.78Å; E299-K302 PolarHBondContact OE2-NZ 3.31Å; K302-L305 PolarHBondContact O-N 3.4Å; K302-K306 HydrophobicContact CG-CD 4.39Å; K302-K306 WeakPolarHBondContact O-CB 3.25Å; K302-K306 WeakPolarHBondContact O-CG 3.37Å; K302-K306 PolarHBondContact O-N 2.89Å |
| 303 | W | 72.2 | Confident | 63.8 | Low | 161 Ų | 161 | 86.6 Ų | 86.6 | 61% | 0.61 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -61.9 | -44 | 175.6 | 177.3 | 78 | 0 | 0 | 0 | 111.7 | E299 Y300 F301 L305 K306 A307 | E299-W303 WeakPolarHBondContact O-CB 3.24Å; E299-W303 PolarHBondContact O-N 3.44Å; Y300-W303 PolarHBondContact O-N 3.41Å; F301-W303 VanDerWaalsContact C-N 3.34Å; F301-W303 PolarHBondContact O-N 2.94Å; W303-L305 VanDerWaalsContact C-N 3.34Å; W303-L305 PolarHBondContact O-N 2.96Å; W303-K306 PolarHBondContact O-N 3.17Å; W303-A307 PolarHBondContact O-N 2.81Å |
| 304 | R | 74.3 | Confident | 61.1 | Low | 143 Ų | 143 | 89.5 Ų | 89.5 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68 | -31.7 | -177.3 | -168.5 | 62 | -175.5 | 80.3 | -4.4 | 113.7 | Y300 F301 A307 | Y300-R304 WeakPolarHBondContact O-CB 3.48Å; Y300-R304 PolarHBondContact O-N 3.41Å; F301-R304 PolarHBondContact O-N 3.21Å; R304-A307 WeakPolarHBondContact O-CB 3.22Å |
| 305 | L | 69 | Low | 58.6 | Low | 56 Ų | 56 | 94.4 Ų | 94.4 | 29% | 0.293 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -81.8 | -31.1 | 175.5 | -70.9 | 177.7 | 0 | 0 | 0 | 113.2 | Q20 A24 F301 K302 W303 A307 | Q20-L305 HydrophobicContact CB-CD1 4.17Å; Q20-L305 VanDerWaalsContact O-CD1 3.25Å; Q20-L305 WeakPolarHBondContact O-CD1 3.44Å; A24-L305 HydrophobicContact CB-CD1 3.43Å; A24-L305 VanDerWaalsContact CB-CD1 3.43Å; F301-L305 WeakPolarHBondContact O-CB 3Å; F301-L305 WeakPolarHBondContact O-CG 3.35Å; F301-L305 PolarHBondContact O-N 3.25Å; K302-L305 PolarHBondContact O-N 3.4Å; W303-L305 VanDerWaalsContact C-N 3.34Å; W303-L305 PolarHBondContact O-N 2.96Å; L305-A307 PolarHBondContact O-N 2.9Å |
| 306 | K | 64.9 | Low | 56.1 | Low | 114 Ų | 114 | 101.4 Ų | 101.4 | 50% | 0.496 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68 | -17.6 | 172.4 | -81 | -174.4 | 178.3 | -172.4 | 0 | 113.3 | L12 K302 W303 P308 | L12-K306 HydrophobicContact CD2-CG 4.31Å; K302-K306 HydrophobicContact CG-CD 4.39Å; K302-K306 WeakPolarHBondContact O-CB 3.25Å; K302-K306 WeakPolarHBondContact O-CG 3.37Å; K302-K306 PolarHBondContact O-N 2.89Å; W303-K306 PolarHBondContact O-N 3.17Å; K306-P308 VanDerWaalsContact O-N 3.13Å |
| 307 | A | 53.8 | Low | 53.3 | Low | 46 Ų | 46 | 101.5 Ų | 101.5 | 38% | 0.38 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -52 | 122.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | W303 R304 L305 T309 | W303-A307 PolarHBondContact O-N 2.81Å; R304-A307 WeakPolarHBondContact O-CB 3.22Å; L305-A307 PolarHBondContact O-N 2.9Å; A307-T309 PolarHBondContact O-N 3.43Å |
| 308 | P | 43.1 | Very low | 50.8 | Low | 123 Ų | 123 | 109.5 Ų | 109.5 | 80% | 0.799 | 58% | 0.576 | S | S | * | * | trans | -57.9 | 111.2 | -167.3 | 20.1 | -31.6 | 0 | 0 | 0 | 109.8 | K306 K310 | K306-P308 VanDerWaalsContact O-N 3.13Å; P308-K310 PolarHBondContact O-N 3.48Å | ||
| 309 | T | 39.7 | Very low | 48.2 | Very low | 119 Ų | 119 | 112.8 Ų | 112.8 | 73% | 0.73 | 60% | 0.603 | S | S | * | * | trans | -57.3 | 112.5 | 155.4 | 45.2 | 0 | 0 | 0 | 0 | 105.5 | A307 P311 | A307-T309 PolarHBondContact O-N 3.43Å; T309-P311 VanDerWaalsContact O-N 3.16Å | ||
| 310 | K | 30.5 | Very low | 45.7 | Very low | 193 Ų | 193 | 117 Ų | 117 | 84% | 0.839 | 64% | 0.636 | S | S | * | * | trans | -46.6 | 127 | 171.4 | -81.8 | -177.6 | 175.5 | -180 | 0 | 107.4 | P308 L312 | P308-K310 PolarHBondContact O-N 3.48Å; K310-L312 PolarHBondContact O-N 2.83Å; K310-L312 VanDerWaalsContact O-N 3.13Å | ||
| 311 | P | 29.4 | Very low | 43.1 | Very low | 104 Ų | 104 | 114.6 Ų | 114.6 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | trans | -58.1 | 123.5 | -179.2 | 20.7 | -29.9 | 0 | 0 | 0 | 108.9 | T309 G313 | T309-P311 VanDerWaalsContact O-N 3.16Å; P311-G313 PolarHBondContact O-N 3.36Å | ||
| 312 | L | 36.4 | Very low | 40.6 | Very low | 188 Ų | 188 | 116.5 Ų | 116.5 | 98% | 0.984 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 82.9 | 175.3 | -164.4 | 81.6 | 0 | 0 | 0 | 107.6 | K310 | K310-L312 PolarHBondContact O-N 2.83Å; K310-L312 VanDerWaalsContact O-N 3.13Å |
| 313 | G | 31.9 | Very low | 38.3 | Very low | 59 Ų | 59 | 124.1 Ų | 124.1 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 172.2 | -0.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | P311 | P311-G313 PolarHBondContact O-N 3.36Š|
| 314 | S | 30 | Very low | 36 | Very low | 99 Ų | 99 | 122.2 Ų | 122.2 | 69% | 0.692 | 74% | 0.735 | S | S | * | * | trans | -96.3 | -1.7 | 178.6 | 63.3 | 0 | 0 | 0 | 0 | 115.7 | F316 | S314-F316 PolarHBondContact O-N 3.42Š| ||
| 315 | D | 30.5 | Very low | 33.7 | Very low | 151 Ų | 151 | 121.2 Ų | 121.2 | 81% | 0.807 | 75% | 0.745 | S | S | * | * | trans | -96.9 | 64.3 | 175.4 | -68.3 | -12.5 | 0 | 0 | 0 | 110.4 | ||||
| 316 | F | 28.8 | Very low | 31.6 | Very low | 208 Ų | 208 | 125.6 Ų | 125.6 | 91% | 0.912 | 76% | 0.763 | S | S | * | * | trans | -128.4 | 73.6 | 160.5 | -85.3 | -77.2 | 0 | 0 | 0 | 108.6 | S314 | S314-F316 PolarHBondContact O-N 3.42Š| ||
| 317 | G | 25.5 | Very low | 29.6 | Very low | 68 Ų | 68 | 127.5 Ų | 127.5 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -173.9 | 117.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 318 | E | 27.7 | Very low | 28.3 | Very low | 183 Ų | 183 | 132.3 Ų | 132.3 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | 88.6 | 77.7 | 167.8 | -58.2 | -175.6 | 162.2 | 0 | 0 | 118.1 | ||||
| 319 | T | 22.5 | Very low | 27.4 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | 52.3 | 121.9 | 119.5 | 57.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 320 | S | 24.6 | Very low | 26.9 | Very low | 126 Ų | 126 | 136.2 Ų | 136.2 | 88% | 0.881 | 80% | 0.799 | S | S | * | * | trans | 92.1 | 101.4 | 138.7 | -130.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 321 | G | 23.5 | Very low | 26.9 | Very low | 83 Ų | 83 | 133.4 Ų | 133.4 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 90.1 | 112.5 | 138.3 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 322 | G | 23.3 | Very low | 26.9 | Very low | 79 Ų | 79 | 134.4 Ų | 134.4 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 118.7 | 108.8 | 149.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | S324 | G322-S324 PolarHBondContact O-N 3.5Š| ||
| 323 | N | 22.3 | Very low | 26.6 | Very low | 168 Ų | 168 | 130.4 Ų | 130.4 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | trans | -55.8 | 120 | 163.3 | -72.1 | -28.9 | 0 | 0 | 0 | 110.7 | ||||
| 324 | S | 25.1 | Very low | 26.8 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -155.5 | 110.9 | 147 | -87.3 | 0 | 0 | 0 | 0 | 110.4 | G322 | G322-S324 PolarHBondContact O-N 3.5Š| ||
| 325 | V | 24.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 138.8 Ų | 138.8 | 74% | 0.739 | 79% | 0.787 | S | S | * | * | trans | -69 | 139.2 | 163.8 | -173.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 326 | H | 26.2 | Very low | 27 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 69% | 0.69 | 77% | 0.772 | S | S | * | * | trans | 81.9 | 115.5 | 170.9 | -58.8 | -59 | 0 | 0 | 0 | 118 | ||||
| 327 | N | 23.2 | Very low | 27.1 | Very low | 154 Ų | 154 | 129.9 Ų | 129.9 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | -154.4 | 116.9 | 108.9 | -87.8 | -32.2 | 0 | 0 | 0 | 110.2 | E329 | N327-E329 PolarHBondContact O-N 3.35Å; N327-E329 VanDerWaalsContact O-N 3.17Å | |||
| 328 | I | 26.7 | Very low | 27.5 | Very low | 147 Ų | 147 | 130.3 Ų | 130.3 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | -71.1 | 102.3 | 164.1 | -66.3 | 166.4 | 0 | 0 | 0 | 105 | I330 | I328-I330 HydrophobicContact CG2-CG1 4.46Å; I328-I330 PolarHBondContact O-N 2.86Å | ||
| 329 | E | 22.9 | Very low | 27.6 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.794 | 72% | 0.723 | S | S | * | * | trans | -64.8 | 99.9 | 171 | -88.3 | -176.2 | 151.6 | 0 | 0 | 109 | N327 L331 | N327-E329 PolarHBondContact O-N 3.35Å; N327-E329 VanDerWaalsContact O-N 3.17Å; E329-L331 PolarHBondContact O-N 3.29Å; E329-L331 VanDerWaalsContact O-N 3.09Å | ||
| 330 | I | 28.8 | Very low | 28.3 | Very low | 153 Ų | 153 | 121.4 Ų | 121.4 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -71.5 | 97.2 | 164.8 | -58.5 | 174.2 | 0 | 0 | 0 | 105.8 | I328 | I328-I330 HydrophobicContact CG2-CG1 4.46Å; I328-I330 PolarHBondContact O-N 2.86Å | ||
| 331 | L | 31.3 | Very low | 28.9 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 140.2 | 175.5 | -71.8 | 162.6 | 0 | 0 | 0 | 110.4 | E329 M333 | E329-L331 PolarHBondContact O-N 3.29Å; E329-L331 VanDerWaalsContact O-N 3.09Å; L331-M333 PolarHBondContact O-N 3.14Å |
| 332 | P | 28.7 | Very low | 29.8 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 81% | 0.812 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 126.3 | -171.1 | 24.9 | -31.5 | 0 | 0 | 0 | 111.7 | ||
| 333 | M | 30.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 51% | 0.512 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -76.9 | 122.1 | 178.5 | -61.1 | -146.5 | -63.9 | 0 | 0 | 110.9 | L331 T356 | L331-M333 PolarHBondContact O-N 3.14Å; M333-T356 HydrophobicContact CE-CG2 3.86Å |
| 334 | E | 36.1 | Very low | 31.3 | Very low | 165 Ų | 165 | 126.6 Ų | 126.6 | 77% | 0.771 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -87 | 136.9 | 173.9 | -142.6 | 174.8 | -171.9 | 0 | 0 | 111.1 | L336 | E334-L336 PolarHBondContact O-N 3.27Š|
| 335 | K | 31 | Very low | 32.1 | Very low | 168 Ų | 168 | 125.8 Ų | 125.8 | 73% | 0.73 | 65% | 0.654 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -80.8 | 105.5 | -175.8 | -70.4 | 177.8 | -179.1 | 175.3 | 0 | 109.7 | T354 | K335-T354 HydrophobicContact CB-CG2 4.09Å; K335-T354 HydrophobicContact CG-CG2 4.46Å |
| 336 | L | 33.4 | Very low | 32.8 | Very low | 97 Ų | 97 | 125.5 Ų | 125.5 | 51% | 0.508 | 65% | 0.654 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88 | 117.2 | 169.3 | -109.7 | 141.6 | 0 | 0 | 0 | 109.8 | E334 T355 | E334-L336 PolarHBondContact O-N 3.27Å; L336-T355 PolarHBondContact O-N 3.17Å |
| 337 | C | 31.4 | Very low | 33.8 | Very low | 75 Ų | 75 | 126.6 Ų | 126.6 | 51% | 0.507 | 67% | 0.665 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.6 | 107.3 | 177.6 | -171.6 | 0 | 0 | 0 | 0 | 108.6 | T352 | C337-T352 WeakPolarHBondContact SG-CG2 3.4Å |
| 338 | V | 35 | Very low | 34.8 | Very low | 78 Ų | 78 | 121.4 Ų | 121.4 | 47% | 0.473 | 64% | 0.641 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.1 | 113.1 | 176.6 | -176.6 | 0 | 0 | 0 | 0 | 108.2 | Y353 | V338-Y353 PolarHBondContact N-O 3.09Å; V338-Y353 PolarHBondContact O-N 2.95Å; V338-Y353 VanDerWaalsContact O-O 3.11Å |
| 339 | T | 29.9 | Very low | 35.5 | Very low | 75 Ų | 75 | 120.4 Ų | 120.4 | 46% | 0.46 | 64% | 0.642 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94 | 113.7 | 176 | -50.6 | 0 | 0 | 0 | 0 | 108.4 | D350 | T339-D350 HydrophobicContact CG2-CB 3.77Å |
| 340 | A | 37 | Very low | 36.4 | Very low | 56 Ų | 56 | 116.5 Ų | 116.5 | 46% | 0.463 | 63% | 0.626 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | L351 | A340-L351 PolarHBondContact N-O 2.93Å; A340-L351 VanDerWaalsContact N-O 3.17Å |
| 341 | S | 35.6 | Very low | 37 | Very low | 85 Ų | 85 | 114 Ų | 114 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | trans | -98.7 | 124.5 | 172.3 | -166.1 | 0 | 0 | 0 | 0 | 109.9 | D350 | S341-D350 WeakPolarHBondContact CA-OD1 3.43Å; S341-D350 WeakPolarHBondContact CB-OD1 3.32Å; S341-D350 PolarHBondContact OG-OD1 3.27Å | ||
| 342 | S | 42.2 | Very low | 37.1 | Very low | 45 Ų | 45 | 111 Ų | 111 | 32% | 0.315 | 60% | 0.602 | S | S | . | * | trans | -89.3 | 113.5 | 179.6 | 97.6 | 0 | 0 | 0 | 0 | 109.9 | W344 I345 S348 | S342-W344 PolarHBondContact O-N 2.92Å; S342-W344 VanDerWaalsContact O-N 3.11Å; S342-I345 WeakPolarHBondContact OG-CB 3.42Å; S342-I345 WeakPolarHBondContact OG-CG1 3.29Å; S342-I345 PolarHBondContact OG-N 3.38Å; S342-S348 PolarHBondContact OG-OG 2.92Å | ||
| 343 | K | 42.3 | Very low | 37.4 | Very low | 199 Ų | 199 | 112 Ų | 112 | 87% | 0.865 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -7.9 | 177.9 | -154.2 | 177.7 | -176.9 | 179.3 | 0 | 113.5 | ||
| 344 | W | 36 | Very low | 37.4 | Very low | 236 Ų | 236 | 111.4 Ų | 111.4 | 89% | 0.894 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 0.5 | -168.1 | -65.4 | 103.8 | 0 | 0 | 0 | 114.4 | S342 | S342-W344 PolarHBondContact O-N 2.92Å; S342-W344 VanDerWaalsContact O-N 3.11Å |
| 345 | I | 41.1 | Very low | 37.3 | Very low | 103 Ų | 103 | 107.1 Ų | 107.1 | 53% | 0.528 | 58% | 0.578 | S | S | . | * | S | Bend | trans | -127 | 102.2 | 176 | -52.7 | 174.1 | 0 | 0 | 0 | 107.7 | S342 D347 S348 | S342-I345 WeakPolarHBondContact OG-CB 3.42Å; S342-I345 WeakPolarHBondContact OG-CG1 3.29Å; S342-I345 PolarHBondContact OG-N 3.38Å; I345-D347 PolarHBondContact O-N 2.93Å; I345-S348 PolarHBondContact O-N 3.42Å |
| 346 | P | 38.7 | Very low | 37.2 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 75% | 0.753 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59 | 132.9 | 169.5 | -12.5 | 26.6 | 0 | 0 | 0 | 108.3 | ||
| 347 | D | 47.4 | Very low | 37.5 | Very low | 172 Ų | 172 | 101.6 Ų | 101.6 | 92% | 0.92 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | 16.5 | -179.6 | -55.4 | -27.8 | 0 | 0 | 0 | 118 | I345 T349 | I345-D347 PolarHBondContact O-N 2.93Å; D347-T349 PolarHBondContact O-N 2.78Å |
| 348 | S | 45.4 | Very low | 37.6 | Very low | 45 Ų | 45 | 104.4 Ų | 104.4 | 32% | 0.315 | 57% | 0.572 | S | S | . | * | trans | -73.2 | 115.9 | 164.9 | 73.4 | 0 | 0 | 0 | 0 | 110.1 | S342 I345 D350 | S342-S348 PolarHBondContact OG-OG 2.92Å; I345-S348 PolarHBondContact O-N 3.42Å; S348-D350 PolarHBondContact O-N 2.76Å | ||
| 349 | T | 41.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 106 Ų | 106 | 77% | 0.773 | 58% | 0.582 | S | S | * | * | trans | -53.5 | 127.5 | 165.7 | 34 | 0 | 0 | 0 | 0 | 109.6 | D347 L351 | D347-T349 PolarHBondContact O-N 2.78Å; T349-L351 PolarHBondContact O-N 3.28Å; T349-L351 VanDerWaalsContact O-N 3.15Å | ||
| 350 | D | 42 | Very low | 38.1 | Very low | 88 Ų | 88 | 107.6 Ų | 107.6 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | trans | -54.6 | 120.8 | 179.7 | -70.9 | -37.4 | 0 | 0 | 0 | 110 | T339 S341 S348 T352 | T339-D350 HydrophobicContact CG2-CB 3.77Å; S341-D350 WeakPolarHBondContact CA-OD1 3.43Å; S341-D350 WeakPolarHBondContact CB-OD1 3.32Å; S341-D350 PolarHBondContact OG-OD1 3.27Å; S348-D350 PolarHBondContact O-N 2.76Å; D350-T352 PolarHBondContact O-N 3.05Å | ||
| 351 | L | 41.4 | Very low | 38 | Very low | 101 Ų | 101 | 112.7 Ų | 112.7 | 53% | 0.529 | 61% | 0.612 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -86 | 101.1 | 176 | -92.8 | 142.8 | 0 | 0 | 0 | 108.3 | A340 T349 Y353 | A340-L351 PolarHBondContact N-O 2.93Å; A340-L351 VanDerWaalsContact N-O 3.17Å; T349-L351 PolarHBondContact O-N 3.28Å; T349-L351 VanDerWaalsContact O-N 3.15Å; L351-Y353 HydrophobicContact CB-CD2 4.39Å; L351-Y353 HydrophobicContact CB-CE2 3.81Å; L351-Y353 HydrophobicContact CD2-CE2 4.17Å |
| 352 | T | 33.7 | Very low | 37.8 | Very low | 73 Ų | 73 | 112.2 Ų | 112.2 | 45% | 0.448 | 62% | 0.62 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -81.4 | 114.6 | 174.4 | -48.4 | 0 | 0 | 0 | 0 | 110.1 | C337 D350 | C337-T352 WeakPolarHBondContact SG-CG2 3.4Å; D350-T352 PolarHBondContact O-N 3.05Å |
| 353 | Y | 34.2 | Very low | 37.1 | Very low | 146 Ų | 146 | 122.4 Ų | 122.4 | 57% | 0.573 | 65% | 0.651 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -106.4 | 116.6 | 171.5 | -68.4 | -84.1 | 0 | 0 | 0 | 109.5 | V338 L351 | V338-Y353 PolarHBondContact N-O 3.09Å; V338-Y353 PolarHBondContact O-N 2.95Å; V338-Y353 VanDerWaalsContact O-O 3.11Å; L351-Y353 HydrophobicContact CB-CD2 4.39Å; L351-Y353 HydrophobicContact CB-CE2 3.81Å; L351-Y353 HydrophobicContact CD2-CE2 4.17Å |
| 354 | T | 29.4 | Very low | 36.4 | Very low | 91 Ų | 91 | 118 Ų | 118 | 56% | 0.558 | 65% | 0.646 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.1 | 114.9 | 170.8 | -45.9 | 0 | 0 | 0 | 0 | 108.1 | K335 | K335-T354 HydrophobicContact CB-CG2 4.09Å; K335-T354 HydrophobicContact CG-CG2 4.46Å |
| 355 | T | 34.2 | Very low | 35.8 | Very low | 74 Ų | 74 | 114.6 Ų | 114.6 | 45% | 0.454 | 65% | 0.645 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -125.7 | 139.7 | 175.7 | -169.3 | 0 | 0 | 0 | 0 | 110.8 | L336 V357 | L336-T355 PolarHBondContact O-N 3.17Å; T355-V357 HydrophobicContact CG2-CG2 4.1Å |
| 356 | T | 30 | Very low | 35.1 | Very low | 72 Ų | 72 | 116.5 Ų | 116.5 | 44% | 0.442 | 66% | 0.661 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.8 | 115.5 | -177.7 | 50.1 | 0 | 0 | 0 | 0 | 108.8 | M333 | M333-T356 HydrophobicContact CE-CG2 3.86Å |
| 357 | V | 39.1 | Very low | 34.5 | Very low | 78 Ų | 78 | 119.9 Ų | 119.9 | 47% | 0.473 | 67% | 0.667 | S | S | . | * | trans | -124.5 | 131 | -179.9 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | T355 T359 | T355-V357 HydrophobicContact CG2-CG2 4.1Å; V357-T359 PolarHBondContact O-N 3.13Å | ||
| 358 | N | 34 | Very low | 33.4 | Very low | 134 Ų | 134 | 119.6 Ų | 119.6 | 72% | 0.717 | 66% | 0.66 | S | S | * | * | trans | -70.3 | 109.7 | 175 | -86.9 | -14.1 | 0 | 0 | 0 | 110.4 | ||||
| 359 | T | 40.5 | Very low | 32.5 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 68% | 0.675 | 69% | 0.689 | S | S | * | * | trans | -104.5 | 117.9 | 173.8 | 48.6 | 0 | 0 | 0 | 0 | 111.3 | V357 | V357-T359 PolarHBondContact O-N 3.13Š| ||
| 360 | T | 33.7 | Very low | 31.8 | Very low | 110 Ų | 110 | 125 Ų | 125 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | trans | -95.7 | 136.3 | 170.4 | 45.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 361 | N | 35.2 | Very low | 31.4 | Very low | 163 Ų | 163 | 136.1 Ų | 136.1 | 87% | 0.872 | 72% | 0.72 | S | S | * | * | trans | 68.4 | 106.2 | 165.8 | -71 | -4.9 | 0 | 0 | 0 | 118.3 | ||||
| 362 | G | 31.1 | Very low | 30.9 | Very low | 74 Ų | 74 | 137.9 Ų | 137.9 | 76% | 0.763 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 142.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 363 | R | 27.8 | Very low | 30.8 | Very low | 259 Ų | 259 | 141.3 Ų | 141.3 | 98% | 0.977 | 74% | 0.744 | S | S | * | * | trans | -138 | 77.5 | 141.8 | -105.9 | -178.3 | 177.6 | 177.9 | 0.3 | 106.7 | N365 | R363-N365 PolarHBondContact O-N 2.84Š| ||
| 364 | S | 27.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | trans | -82.4 | 105.2 | 169 | 51.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 365 | N | 23.4 | Very low | 30.7 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 88% | 0.877 | 77% | 0.765 | S | S | * | * | trans | -137.4 | 79.5 | 153.4 | -91.7 | -26.9 | 0 | 0 | 0 | 105.9 | R363 | R363-N365 PolarHBondContact O-N 2.84Š| ||
| 366 | V | 27.5 | Very low | 30.5 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | -128.3 | 106.8 | 161.2 | -177 | 0 | 0 | 0 | 0 | 106.3 | E368 | V366-E368 PolarHBondContact O-N 3.32Š| ||
| 367 | Q | 25.2 | Very low | 30.5 | Very low | 187 Ų | 187 | 153.4 Ų | 153.4 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -64.7 | 119.3 | -178.4 | -143.8 | 167.6 | -0.3 | 0 | 0 | 108.6 | N369 | Q367-N369 PolarHBondContact O-N 3.3Š| ||
| 368 | E | 24.4 | Very low | 29.9 | Very low | 166 Ų | 166 | 158.8 Ų | 158.8 | 78% | 0.776 | 83% | 0.832 | S | S | * | * | trans | -62.1 | 115.3 | 167.7 | -106.9 | 177.2 | 156.7 | 0 | 0 | 108.9 | V366 | V366-E368 PolarHBondContact O-N 3.32Š| ||
| 369 | N | 27.5 | Very low | 29.6 | Very low | 171 Ų | 171 | 160.7 Ų | 160.7 | 91% | 0.914 | 84% | 0.841 | S | S | * | * | trans | -99.9 | 105.5 | 157 | -110.8 | -3.4 | 0 | 0 | 0 | 107.7 | Q367 | Q367-N369 PolarHBondContact O-N 3.3Š| ||
| 370 | T | 26.4 | Very low | 28.6 | Very low | 113 Ų | 113 | 164.9 Ų | 164.9 | 69% | 0.693 | 85% | 0.854 | S | S | * | * | trans | -89 | 109.8 | 175.7 | 33.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 371 | R | 33.9 | Very low | 28.2 | Very low | 321 Ų | 321 | 169.9 Ų | 169.9 | 100% | 1.211 | 87% | 0.871 | S | S | * | * | 162.6 | 0 | 125.5 | -90.5 | -173.9 | -173 | -178 | 3.9 | 110.7 |
Retrieved 371 of 371 residues in 413.1 ms
(Link to these results)