| 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 | 34.8 | Very low | 39 | Very low | 244 Ų | 244 | 158.6 Ų | 158.6 | 100% | 1.202 | 81% | 0.805 | S | S | * | * | 0 | 97.8 | 0 | -74.1 | 171.1 | 170.7 | 0 | 0 | 106.3 | |||||
| 2 | E | 27.6 | Very low | 40.4 | Very low | 202 Ų | 202 | 152.6 Ų | 152.6 | 94% | 0.944 | 80% | 0.797 | S | S | * | * | trans | -156.9 | 81.2 | -178.8 | -123.5 | 156.7 | -167 | 0 | 0 | 110.3 | ||||
| 3 | A | 33.3 | Very low | 41.9 | Very low | 111 Ų | 111 | 144.2 Ų | 144.2 | 92% | 0.917 | 75% | 0.753 | S | S | * | * | trans | -143.7 | 47.8 | 180 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 4 | S | 36.7 | Very low | 44.3 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | trans | -146.6 | 90.7 | 178.9 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | R | 40.1 | Very low | 46.2 | Very low | 255 Ų | 255 | 135.4 Ų | 135.4 | 96% | 0.962 | 72% | 0.722 | S | S | * | * | trans | -169.7 | 76.3 | 161.3 | -107 | 169.7 | -167.8 | -170.1 | 4.9 | 109.1 | ||||
| 6 | R | 39.3 | Very low | 47.8 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 73% | 0.725 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -141.9 | 127.5 | 170.1 | -90.3 | -172.8 | 173.3 | 178.6 | -1.5 | 108.6 | ||
| 7 | F | 41 | Very low | 49.4 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 54% | 0.539 | 70% | 0.703 | S | S | . | * | trans | 46.6 | 113.7 | 168.9 | -57.9 | -73.9 | 0 | 0 | 0 | 118 | E9 A10 | F7-E9 PolarHBondContact O-N 3.14Å; F7-A10 HydrophobicContact CB-CB 4.08Å; F7-A10 WeakPolarHBondContact O-CB 3.42Å; F7-A10 PolarHBondContact O-N 3.08Å | ||
| 8 | P | 40.1 | Very low | 50.7 | Low | 132 Ų | 132 | 128.1 Ų | 128.1 | 86% | 0.857 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.6 | 11.9 | 170.5 | 33.4 | -36.2 | 0 | 0 | 0 | 114 | ||
| 9 | E | 45 | Very low | 52 | Low | 125 Ų | 125 | 124.4 Ų | 124.4 | 58% | 0.584 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.8 | 3.9 | 177.6 | -61.4 | 175.4 | 159.3 | 0 | 0 | 111.9 | F7 | F7-E9 PolarHBondContact O-N 3.14Š|
| 10 | A | 43.5 | Very low | 53.3 | Low | 46 Ų | 46 | 122.8 Ų | 122.8 | 38% | 0.38 | 66% | 0.657 | S | S | . | * | trans | -99.6 | 11.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | F7 A12 | F7-A10 HydrophobicContact CB-CB 4.08Å; F7-A10 WeakPolarHBondContact O-CB 3.42Å; F7-A10 PolarHBondContact O-N 3.08Å; A10-A12 PolarHBondContact O-N 3.37Å; A10-A12 VanDerWaalsContact O-N 3.14Å | ||
| 11 | E | 47.1 | Very low | 54.7 | Low | 198 Ų | 198 | 118.6 Ų | 118.6 | 93% | 0.925 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -0.2 | -177.6 | -61.4 | -166.6 | 139.4 | 0 | 0 | 114.6 | ||
| 12 | A | 56.1 | Low | 56.8 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 71% | 0.711 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 3.3 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A10 | A10-A12 PolarHBondContact O-N 3.37Å; A10-A12 VanDerWaalsContact O-N 3.14Å |
| 13 | L | 59.7 | Low | 59.4 | Low | 44 Ų | 44 | 108 Ų | 108 | 23% | 0.23 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -118.2 | 143.5 | -174.5 | -70.6 | 169.6 | 0 | 0 | 0 | 112.6 | Q17 I50 F51 | L13-Q17 HydrophobicContact CD2-CB 4.19Å; L13-I50 HydrophobicContact CD2-CG2 4.2Å; L13-F51 HydrophobicContact CD1-CB 4.07Å; L13-F51 HydrophobicContact CD1-CD2 3.85Å; L13-F51 HydrophobicContact CD1-CE2 4.46Å; L13-F51 HydrophobicContact CD1-CG 3.96Å; L13-F51 HydrophobicContact CD2-CB 4.4Å; L13-F51 HydrophobicContact CD2-CD2 4.23Å; L13-F51 HydrophobicContact CG-CD2 4.15Å |
| 14 | S | 75.4 | Confident | 61.8 | Low | 43 Ų | 43 | 105.6 Ų | 105.6 | 30% | 0.301 | 54% | 0.543 | S | S | . | . | trans | -67.9 | 153 | 168 | 98 | 0 | 0 | 0 | 0 | 110.8 | E16 Q17 A18 | S14-E16 PolarHBondContact O-N 3.26Å; S14-E16 PolarHBondContact OG-N 3.21Å; S14-Q17 PolarHBondContact O-N 3.46Å; S14-Q17 VanDerWaalsContact O-N 3.14Å; S14-Q17 WeakPolarHBondContact OG-CG 3.33Å; S14-Q17 PolarHBondContact OG-N 2.98Å; S14-Q17 VanDerWaalsContact OG-N 3.08Å; S14-A18 PolarHBondContact O-N 3.17Å | ||
| 15 | P | 73.1 | Confident | 63.9 | Low | 113 Ų | 113 | 100.8 Ų | 100.8 | 73% | 0.734 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -28 | 178.3 | 24.3 | -33.8 | 0 | 0 | 0 | 112.8 | A19 | P15-A19 WeakPolarHBondContact O-CB 3.48Å; P15-A19 PolarHBondContact O-N 3.44Å; P15-A19 VanDerWaalsContact O-N 3.12Å |
| 16 | E | 72.8 | Confident | 65.8 | Low | 149 Ų | 149 | 94 Ų | 94 | 70% | 0.696 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -72.8 | -45 | 174.4 | -61.5 | 177.7 | 158.3 | 0 | 0 | 111.2 | S14 A18 A19 H20 | S14-E16 PolarHBondContact O-N 3.26Å; S14-E16 PolarHBondContact OG-N 3.21Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 2.9Å; E16-A19 PolarHBondContact O-N 3.37Å; E16-H20 PolarHBondContact O-CD2 2.94Å; E16-H20 PolarHBondContact O-N 2.84Å |
| 17 | Q | 73.4 | Confident | 67.8 | Low | 92 Ų | 92 | 87.6 Ų | 87.6 | 43% | 0.43 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 174.8 | -72.6 | 168.3 | -30.7 | 0 | 0 | 111.4 | L13 S14 A19 H20 Y21 I50 | L13-Q17 HydrophobicContact CD2-CB 4.19Å; S14-Q17 PolarHBondContact O-N 3.46Å; S14-Q17 VanDerWaalsContact O-N 3.14Å; S14-Q17 WeakPolarHBondContact OG-CG 3.33Å; S14-Q17 PolarHBondContact OG-N 2.98Å; S14-Q17 VanDerWaalsContact OG-N 3.08Å; Q17-A19 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 3.34Å; Q17-H20 PolarHBondContact O-N 3.14Å; Q17-Y21 WeakPolarHBondContact O-CB 3.49Å; Q17-Y21 PolarHBondContact O-N 3.12Å; Q17-I50 HydrophobicContact CB-CG2 3.98Å |
| 18 | A | 73.9 | Confident | 69.7 | Low | 34 Ų | 34 | 81.7 Ų | 81.7 | 28% | 0.281 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S14 E16 L22 | S14-A18 PolarHBondContact O-N 3.17Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 2.9Å; A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 VanDerWaalsContact O-CG 3.28Å; A18-L22 WeakPolarHBondContact O-CG 3.44Å; A18-L22 PolarHBondContact O-N 3.48Å |
| 19 | A | 75.4 | Confident | 71.3 | Confident | 58 Ų | 58 | 77.5 Ų | 77.5 | 48% | 0.479 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -67.3 | -44 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | P15 E16 Q17 L22 R23 | P15-A19 WeakPolarHBondContact O-CB 3.48Å; P15-A19 PolarHBondContact O-N 3.44Å; P15-A19 VanDerWaalsContact O-N 3.12Å; E16-A19 PolarHBondContact O-N 3.37Å; Q17-A19 VanDerWaalsContact C-N 3.34Å; Q17-A19 PolarHBondContact O-N 3.34Å; A19-L22 PolarHBondContact O-N 2.91Å; A19-R23 WeakPolarHBondContact O-CB 3.34Å; A19-R23 PolarHBondContact O-N 2.91Å |
| 20 | H | 78.3 | Confident | 72.8 | Confident | 91 Ų | 91 | 75.7 Ų | 75.7 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 175.5 | -87.3 | -94.4 | 0 | 0 | 0 | 112.3 | E16 Q17 R23 Y24 I50 | E16-H20 PolarHBondContact O-CD2 2.94Å; E16-H20 PolarHBondContact O-N 2.84Å; Q17-H20 PolarHBondContact O-N 3.14Å; H20-R23 WeakPolarHBondContact O-CB 3.13Å; H20-R23 PolarHBondContact O-N 2.86Å; H20-Y24 HydrophobicContact CB-CD2 4.41Å; H20-Y24 HydrophobicContact CB-CE2 4.1Å; H20-Y24 AromaticContact ND1-CE2 3.87Å; H20-Y24 WeakPolarHBondContact O-CD2 3.39Å; H20-Y24 PolarHBondContact O-N 3.31Å; H20-I50 HydrophobicContact CB-CD1 3.92Å |
| 21 | Y | 81.8 | Confident | 74.3 | Confident | 36 Ų | 36 | 73.7 Ų | 73.7 | 14% | 0.141 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 174.9 | 174.9 | -98.4 | 0 | 0 | 0 | 111.9 | Q17 R23 Y24 V25 A47 F51 V56 | Q17-Y21 WeakPolarHBondContact O-CB 3.49Å; Q17-Y21 PolarHBondContact O-N 3.12Å; Y21-R23 VanDerWaalsContact C-N 3.27Å; Y21-R23 PolarHBondContact O-N 3.35Å; Y21-Y24 PolarHBondContact O-N 3.26Å; Y21-V25 HydrophobicContact CD1-CG2 4.48Å; Y21-V25 HydrophobicContact CD2-CG2 4.33Å; Y21-V25 HydrophobicContact CE1-CG2 4.2Å; Y21-V25 HydrophobicContact CE2-CG2 4.03Å; Y21-V25 WeakPolarHBondContact O-CB 3.44Å; Y21-V25 VanDerWaalsContact O-CG2 3.29Å; Y21-V25 WeakPolarHBondContact O-CG2 3.43Å; Y21-V25 PolarHBondContact O-N 2.97Å; Y21-A47 HydrophobicContact CD2-CB 4.06Å; Y21-A47 WeakPolarHBondContact CD2-O 3.49Å; Y21-A47 HydrophobicContact CE2-CB 4.14Å; Y21-F51 HydrophobicContact CD2-CB 3.94Å; Y21-F51 HydrophobicContact CE2-CB 3.9Å; Y21-F51 HydrophobicContact CE2-CD1 4.48Å; Y21-V56 HydrophobicContact CE2-CG2 4.34Å; Y21-V56 WeakPolarHBondContact OH-CG2 3.28Å |
| 22 | L | 78.4 | Confident | 75.6 | Confident | 79 Ų | 79 | 64.3 Ų | 64.3 | 41% | 0.414 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.2 | -34.9 | 177.1 | -73.2 | 171.4 | 0 | 0 | 0 | 112.3 | A18 A19 K26 | A18-L22 WeakPolarHBondContact O-CB 3.47Å; A18-L22 VanDerWaalsContact O-CG 3.28Å; A18-L22 WeakPolarHBondContact O-CG 3.44Å; A18-L22 PolarHBondContact O-N 3.48Å; A19-L22 PolarHBondContact O-N 2.91Å; L22-K26 WeakPolarHBondContact O-CB 3.28Å; L22-K26 PolarHBondContact O-N 3.16Å; L22-K26 VanDerWaalsContact O-N 3.13Å |
| 23 | R | 83 | Confident | 76 | Confident | 145 Ų | 145 | 64.2 Ų | 64.2 | 55% | 0.547 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.3 | -54.9 | 174.8 | -179.1 | 178.4 | 174.2 | 179.9 | -1.7 | 111.6 | A19 H20 Y21 V25 K26 E27 | A19-R23 WeakPolarHBondContact O-CB 3.34Å; A19-R23 PolarHBondContact O-N 2.91Å; H20-R23 WeakPolarHBondContact O-CB 3.13Å; H20-R23 PolarHBondContact O-N 2.86Å; Y21-R23 VanDerWaalsContact C-N 3.27Å; Y21-R23 PolarHBondContact O-N 3.35Å; R23-V25 VanDerWaalsContact C-N 3.3Å; R23-V25 PolarHBondContact O-N 2.9Å; R23-K26 WeakPolarHBondContact O-CA 3.35Å; R23-K26 WeakPolarHBondContact O-CB 3.39Å; R23-K26 PolarHBondContact O-N 3.41Å; R23-E27 HydrophobicContact CG-CG 4.39Å; R23-E27 IonicContact CZ-OE1 3.9Å; R23-E27 IonicContact NE-OE1 2.69Å; R23-E27 PolarHBondContact NE-OE1 3.05Å; R23-E27 IonicContact NE-OE2 2.79Å; R23-E27 PolarHBondContact NE-OE2 3.25Å; R23-E27 IonicContact NH2-OE1 3.14Å; R23-E27 PolarHBondContact NH2-OE1 2.92Å; R23-E27 PolarHBondContact O-N 2.87Å |
| 24 | Y | 84.1 | Confident | 76.4 | Confident | 60 Ų | 60 | 68.2 Ų | 68.2 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.1 | -36.6 | 179.9 | -66.8 | -52.8 | 0 | 0 | 0 | 112.2 | H20 Y21 K26 E27 A28 L43 L46 I50 | H20-Y24 HydrophobicContact CB-CD2 4.41Å; H20-Y24 HydrophobicContact CB-CE2 4.1Å; H20-Y24 AromaticContact ND1-CE2 3.87Å; H20-Y24 WeakPolarHBondContact O-CD2 3.39Å; H20-Y24 PolarHBondContact O-N 3.31Å; Y21-Y24 PolarHBondContact O-N 3.26Å; Y24-K26 VanDerWaalsContact C-N 3.31Å; Y24-K26 PolarHBondContact O-N 3.21Å; Y24-E27 PolarHBondContact O-N 3.49Å; Y24-A28 WeakPolarHBondContact O-CB 3.27Å; Y24-A28 PolarHBondContact O-N 3.06Å; Y24-L43 HydrophobicContact CD1-CD2 3.97Å; Y24-L46 HydrophobicContact CD2-CB 4.42Å; Y24-L46 HydrophobicContact CE1-CD1 4.36Å; Y24-L46 HydrophobicContact CG-CB 4.4Å; Y24-I50 HydrophobicContact CD2-CD1 3.74Å; Y24-I50 HydrophobicContact CE2-CD1 3.85Å |
| 25 | V | 80.1 | Confident | 75.9 | Confident | 16 Ų | 16 | 67.4 Ų | 67.4 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.6 | -30.2 | 173.7 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | Y21 R23 K29 A47 | Y21-V25 HydrophobicContact CD1-CG2 4.48Å; Y21-V25 HydrophobicContact CD2-CG2 4.33Å; Y21-V25 HydrophobicContact CE1-CG2 4.2Å; Y21-V25 HydrophobicContact CE2-CG2 4.03Å; Y21-V25 WeakPolarHBondContact O-CB 3.44Å; Y21-V25 VanDerWaalsContact O-CG2 3.29Å; Y21-V25 WeakPolarHBondContact O-CG2 3.43Å; Y21-V25 PolarHBondContact O-N 2.97Å; R23-V25 VanDerWaalsContact C-N 3.3Å; R23-V25 PolarHBondContact O-N 2.9Å; V25-K29 WeakPolarHBondContact O-CD 3.4Å; V25-K29 WeakPolarHBondContact O-CG 3.29Å; V25-K29 PolarHBondContact O-N 3.04Å; V25-A47 HydrophobicContact CG2-CB 3.74Å |
| 26 | K | 80.1 | Confident | 76.1 | Confident | 113 Ų | 113 | 66 Ų | 66 | 49% | 0.491 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74.9 | -48.8 | 173.7 | -178.1 | 179.6 | 176 | -64.7 | 0 | 111.5 | L22 R23 Y24 A28 K29 E30 | L22-K26 WeakPolarHBondContact O-CB 3.28Å; L22-K26 PolarHBondContact O-N 3.16Å; L22-K26 VanDerWaalsContact O-N 3.13Å; R23-K26 WeakPolarHBondContact O-CA 3.35Å; R23-K26 WeakPolarHBondContact O-CB 3.39Å; R23-K26 PolarHBondContact O-N 3.41Å; Y24-K26 VanDerWaalsContact C-N 3.31Å; Y24-K26 PolarHBondContact O-N 3.21Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 3.22Å; K26-K29 WeakPolarHBondContact O-CB 3.45Å; K26-K29 PolarHBondContact O-N 3.02Å; K26-E30 VanDerWaalsContact CE-OE1 3.26Å; K26-E30 WeakPolarHBondContact CE-OE1 3.12Å; K26-E30 IonicContact NZ-OE1 3.37Å; K26-E30 PolarHBondContact NZ-OE1 3.44Å; K26-E30 IonicContact NZ-OE2 3.81Å; K26-E30 PolarHBondContact NZ-OE2 2.82Å; K26-E30 PolarHBondContact O-N 3.43Å |
| 27 | E | 81.8 | Confident | 76.2 | Confident | 56 Ų | 56 | 59.3 Ų | 59.3 | 26% | 0.262 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 178.6 | -68.8 | 171.5 | 159.6 | 0 | 0 | 110.9 | R23 Y24 K29 E30 A31 L43 | R23-E27 HydrophobicContact CG-CG 4.39Å; R23-E27 IonicContact CZ-OE1 3.9Å; R23-E27 IonicContact NE-OE1 2.69Å; R23-E27 PolarHBondContact NE-OE1 3.05Å; R23-E27 IonicContact NE-OE2 2.79Å; R23-E27 PolarHBondContact NE-OE2 3.25Å; R23-E27 IonicContact NH2-OE1 3.14Å; R23-E27 PolarHBondContact NH2-OE1 2.92Å; R23-E27 PolarHBondContact O-N 2.87Å; Y24-E27 PolarHBondContact O-N 3.49Å; E27-K29 PolarHBondContact O-N 3.39Å; E27-E30 PolarHBondContact O-N 2.94Å; E27-E30 VanDerWaalsContact O-N 3.17Å; E27-A31 PolarHBondContact O-N 2.86Å; E27-L43 HydrophobicContact CB-CD1 4.02Å |
| 28 | A | 80.4 | Confident | 76.4 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | Y24 K26 E30 T32 L43 F44 | Y24-A28 WeakPolarHBondContact O-CB 3.27Å; Y24-A28 PolarHBondContact O-N 3.06Å; K26-A28 VanDerWaalsContact C-N 3.34Å; K26-A28 PolarHBondContact O-N 3.22Å; A28-E30 VanDerWaalsContact C-N 3.33Å; A28-T32 WeakPolarHBondContact O-CB 3.43Å; A28-T32 PolarHBondContact O-N 3.01Å; A28-T32 PolarHBondContact O-OG1 2.66Å; A28-L43 HydrophobicContact CB-CB 3.6Å; A28-F44 HydrophobicContact CB-CD1 3.69Å; A28-F44 HydrophobicContact CB-CD2 3.75Å; A28-F44 HydrophobicContact CB-CE1 3.63Å; A28-F44 HydrophobicContact CB-CE2 3.69Å; A28-F44 HydrophobicContact CB-CG 3.74Å; A28-F44 HydrophobicContact CB-CZ 3.62Å |
| 29 | K | 74.8 | Confident | 76.7 | Confident | 43 Ų | 43 | 64 Ų | 64 | 19% | 0.187 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 172.9 | -77.7 | 170.4 | -178.8 | -178.8 | 0 | 111.6 | V25 K26 E27 T32 K33 F44 V1111 E1115 | V25-K29 WeakPolarHBondContact O-CD 3.4Å; V25-K29 WeakPolarHBondContact O-CG 3.29Å; V25-K29 PolarHBondContact O-N 3.04Å; K26-K29 WeakPolarHBondContact O-CB 3.45Å; K26-K29 PolarHBondContact O-N 3.02Å; E27-K29 PolarHBondContact O-N 3.39Å; K29-T32 PolarHBondContact O-N 3.38Å; K29-K33 WeakPolarHBondContact O-CB 3.48Å; K29-K33 VanDerWaalsContact O-CG 3.31Å; K29-K33 WeakPolarHBondContact O-CG 3.41Å; K29-K33 PolarHBondContact O-N 3.46Å; K29-F44 HydrophobicContact CG-CZ 4.47Å; K29-V1111 HydrophobicContact CG-CG1 4.22Å; K29-E1115 WeakPolarHBondContact CE-OE1 3.4Å; K29-E1115 IonicContact NZ-OE1 2.84Å; K29-E1115 PolarHBondContact NZ-OE1 3.44Å |
| 30 | E | 74.8 | Confident | 77 | Confident | 87 Ų | 87 | 61.2 Ų | 61.2 | 41% | 0.407 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69 | -45.5 | 179.3 | -77.4 | 163.4 | -170.2 | 0 | 0 | 111.1 | K26 E27 A28 T32 K33 N34 | K26-E30 VanDerWaalsContact CE-OE1 3.26Å; K26-E30 WeakPolarHBondContact CE-OE1 3.12Å; K26-E30 IonicContact NZ-OE1 3.37Å; K26-E30 PolarHBondContact NZ-OE1 3.44Å; K26-E30 IonicContact NZ-OE2 3.81Å; K26-E30 PolarHBondContact NZ-OE2 2.82Å; K26-E30 PolarHBondContact O-N 3.43Å; E27-E30 PolarHBondContact O-N 2.94Å; E27-E30 VanDerWaalsContact O-N 3.17Å; A28-E30 VanDerWaalsContact C-N 3.33Å; E30-T32 VanDerWaalsContact C-N 3.33Å; E30-T32 PolarHBondContact O-N 2.74Å; E30-K33 PolarHBondContact O-N 3.05Å; E30-K33 VanDerWaalsContact O-N 3.08Å; E30-N34 VanDerWaalsContact O-CG 3.26Å; E30-N34 PolarHBondContact O-N 2.93Å; E30-N34 PolarHBondContact O-OD1 3.35Å |
| 31 | A | 76.4 | Confident | 77.2 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.1 | -43.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E27 K33 N34 G35 D36 E39 A40 L43 | E27-A31 PolarHBondContact O-N 2.86Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 3.49Å; A31-N34 PolarHBondContact O-N 3.35Å; A31-G35 PolarHBondContact O-N 3.4Å; A31-D36 PolarHBondContact O-N 3.13Å; A31-D36 VanDerWaalsContact O-N 3.09Å; A31-E39 HydrophobicContact CB-CB 4.19Å; A31-E39 HydrophobicContact CB-CG 4.12Å; A31-A40 HydrophobicContact CB-CB 4.16Å; A31-L43 HydrophobicContact CB-CD1 4.28Å |
| 32 | T | 73.9 | Confident | 77.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -40.7 | 175 | -47.6 | 0 | 0 | 0 | 0 | 111.3 | A28 K29 E30 N34 G35 A40 V1107 L1108 | A28-T32 WeakPolarHBondContact O-CB 3.43Å; A28-T32 PolarHBondContact O-N 3.01Å; A28-T32 PolarHBondContact O-OG1 2.66Å; K29-T32 PolarHBondContact O-N 3.38Å; E30-T32 VanDerWaalsContact C-N 3.33Å; E30-T32 PolarHBondContact O-N 2.74Å; T32-N34 VanDerWaalsContact C-N 3.31Å; T32-N34 PolarHBondContact O-N 2.78Å; T32-G35 PolarHBondContact O-N 2.88Å; T32-A40 VanDerWaalsContact OG1-CB 3.31Å; T32-A40 WeakPolarHBondContact OG1-CB 3.41Å; T32-V1107 HydrophobicContact CG2-CG1 3.95Å; T32-L1108 HydrophobicContact CG2-CD2 3.82Å; T32-L1108 HydrophobicContact CG2-CG 4.13Å |
| 33 | K | 65.2 | Low | 77.7 | Confident | 85 Ų | 85 | 60.3 Ų | 60.3 | 37% | 0.37 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.4 | -24.4 | 178.7 | -73.7 | -177.1 | -164.2 | -140.8 | 0 | 113.5 | K29 E30 A31 L1108 E1112 | K29-K33 WeakPolarHBondContact O-CB 3.48Å; K29-K33 VanDerWaalsContact O-CG 3.31Å; K29-K33 WeakPolarHBondContact O-CG 3.41Å; K29-K33 PolarHBondContact O-N 3.46Å; E30-K33 PolarHBondContact O-N 3.05Å; E30-K33 VanDerWaalsContact O-N 3.08Å; A31-K33 VanDerWaalsContact C-N 3.31Å; A31-K33 PolarHBondContact O-N 3.49Å; K33-L1108 HydrophobicContact CB-CD2 4.31Å; K33-L1108 HydrophobicContact CG-CD2 3.68Å; K33-E1112 VanDerWaalsContact CE-OE1 3.24Å; K33-E1112 WeakPolarHBondContact CE-OE1 3.44Å; K33-E1112 IonicContact NZ-OE1 2.74Å; K33-E1112 PolarHBondContact NZ-OE1 3.28Å |
| 34 | N | 68 | Low | 77.8 | Confident | 128 Ų | 128 | 53.4 Ų | 53.4 | 68% | 0.684 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -81.8 | -25.4 | 172.7 | -62.5 | -13.6 | 0 | 0 | 0 | 112.6 | E30 A31 T32 D36 | E30-N34 VanDerWaalsContact O-CG 3.26Å; E30-N34 PolarHBondContact O-N 2.93Å; E30-N34 PolarHBondContact O-OD1 3.35Å; A31-N34 PolarHBondContact O-N 3.35Å; T32-N34 VanDerWaalsContact C-N 3.31Å; T32-N34 PolarHBondContact O-N 2.78Å; N34-D36 WeakPolarHBondContact CB-OD2 3.49Å |
| 35 | G | 64.4 | Low | 77.7 | Confident | 25 Ų | 25 | 52.1 Ų | 52.1 | 26% | 0.258 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 108.7 | -4.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A31 T32 L37 | A31-G35 PolarHBondContact O-N 3.4Å; T32-G35 PolarHBondContact O-N 2.88Å; G35-L37 VanDerWaalsContact C-N 3.25Å; G35-L37 PolarHBondContact O-N 3.25Å |
| 36 | D | 76.5 | Confident | 77.9 | Confident | 84 Ų | 84 | 55 Ų | 55 | 45% | 0.449 | 27% | 0.269 | S | S | . | . | trans | -75.8 | 70.5 | -177.7 | -61.6 | -69.1 | 0 | 0 | 0 | 111.7 | A31 N34 E38 E39 A40 | A31-D36 PolarHBondContact O-N 3.13Å; A31-D36 VanDerWaalsContact O-N 3.09Å; N34-D36 WeakPolarHBondContact CB-OD2 3.49Å; D36-E38 PolarHBondContact O-N 2.97Å; D36-E39 HydrophobicContact CB-CB 4.12Å; D36-E39 PolarHBondContact O-N 2.72Å; D36-A40 PolarHBondContact O-N 3.43Å | ||
| 37 | L | 75.3 | Confident | 78 | Confident | 8 Ų | 8 | 49.7 Ų | 49.7 | 4% | 0.042 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -55 | -35.5 | -177.7 | -69.6 | -173.8 | 0 | 0 | 0 | 113 | G35 F41 I63 A66 L67 L70 I1104 | G35-L37 VanDerWaalsContact C-N 3.25Å; G35-L37 PolarHBondContact O-N 3.25Å; L37-F41 VanDerWaalsContact O-CB 3.24Å; L37-F41 WeakPolarHBondContact O-CB 3.46Å; L37-F41 PolarHBondContact O-N 3.5Å; L37-I63 HydrophobicContact CB-CG2 4.35Å; L37-I63 WeakPolarHBondContact O-CG2 3.26Å; L37-A66 HydrophobicContact CD1-CB 4.12Å; L37-L67 HydrophobicContact CB-CD2 3.84Å; L37-L67 HydrophobicContact CB-CG 4.23Å; L37-L70 HydrophobicContact CD1-CD1 3.92Å; L37-I1104 HydrophobicContact CD1-CG1 3.79Å; L37-I1104 HydrophobicContact CD2-CG1 4.48Å; L37-I1104 HydrophobicContact CG-CG1 4.14Å |
| 38 | E | 77.2 | Confident | 78.2 | Confident | 118 Ų | 118 | 50.3 Ų | 50.3 | 55% | 0.551 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.8 | -43.1 | 175 | -87.7 | -161.5 | -136.4 | 0 | 0 | 113.2 | D36 F41 K42 L67 | D36-E38 PolarHBondContact O-N 2.97Å; E38-F41 PolarHBondContact O-N 3.25Å; E38-K42 WeakPolarHBondContact O-CD 3.17Å; E38-K42 WeakPolarHBondContact O-CE 3.37Å; E38-K42 WeakPolarHBondContact O-CG 3.34Å; E38-K42 PolarHBondContact O-N 2.89Å; E38-K42 IonicContact OE2-NZ 3.38Å; E38-K42 PolarHBondContact OE2-NZ 2.83Å; E38-L67 HydrophobicContact CG-CD2 4.12Å |
| 39 | E | 79.9 | Confident | 78.3 | Confident | 107 Ų | 107 | 56.1 Ų | 56.1 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -73.5 | -40.6 | 179.4 | -176.6 | 164.9 | -149 | 0 | 0 | 110.4 | A31 D36 F41 K42 L43 | A31-E39 HydrophobicContact CB-CB 4.19Å; A31-E39 HydrophobicContact CB-CG 4.12Å; D36-E39 HydrophobicContact CB-CB 4.12Å; D36-E39 PolarHBondContact O-N 2.72Å; E39-F41 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 2.92Å; E39-K42 PolarHBondContact O-N 3.36Å; E39-L43 HydrophobicContact CG-CD1 3.73Å; E39-L43 HydrophobicContact CG-CG 4.28Å; E39-L43 WeakPolarHBondContact O-CB 3.43Å; E39-L43 VanDerWaalsContact O-CG 3.28Å; E39-L43 WeakPolarHBondContact O-CG 3.35Å; E39-L43 PolarHBondContact O-N 3.11Å |
| 40 | A | 82.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.4 | -43.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A31 T32 D36 L43 F44 I63 | A31-A40 HydrophobicContact CB-CB 4.16Å; T32-A40 VanDerWaalsContact OG1-CB 3.31Å; T32-A40 WeakPolarHBondContact OG1-CB 3.41Å; D36-A40 PolarHBondContact O-N 3.43Å; A40-L43 PolarHBondContact O-N 2.93Å; A40-F44 HydrophobicContact CB-CD2 4.46Å; A40-F44 WeakPolarHBondContact O-CB 3.28Å; A40-F44 WeakPolarHBondContact O-CD2 3.22Å; A40-F44 PolarHBondContact O-N 2.84Å; A40-I63 HydrophobicContact CB-CD1 4.37Å |
| 41 | F | 83.3 | Confident | 78.8 | Confident | 53 Ų | 53 | 54.6 Ų | 54.6 | 23% | 0.232 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 176.5 | -172.8 | -109.2 | 0 | 0 | 0 | 112.1 | L37 E38 E39 N45 I60 I63 Q64 L67 | L37-F41 VanDerWaalsContact O-CB 3.24Å; L37-F41 WeakPolarHBondContact O-CB 3.46Å; L37-F41 PolarHBondContact O-N 3.5Å; E38-F41 PolarHBondContact O-N 3.25Å; E39-F41 VanDerWaalsContact C-N 3.31Å; E39-F41 PolarHBondContact O-N 2.92Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.18Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.47Å; F41-N45 PolarHBondContact O-N 3.47Å; F41-N45 PolarHBondContact O-ND2 3.24Å; F41-I60 HydrophobicContact CD2-CG2 4.28Å; F41-I60 HydrophobicContact CE2-CG2 3.63Å; F41-I60 HydrophobicContact CZ-CG2 4.39Å; F41-I63 HydrophobicContact CB-CG2 3.76Å; F41-I63 HydrophobicContact CD2-CB 4.3Å; F41-I63 HydrophobicContact CD2-CG2 3.92Å; F41-I63 HydrophobicContact CG-CG2 4.28Å; F41-Q64 HydrophobicContact CE2-CB 3.87Å; F41-Q64 HydrophobicContact CE2-CG 4.44Å; F41-Q64 HydrophobicContact CZ-CB 4.42Å; F41-L67 HydrophobicContact CB-CD1 3.94Å; F41-L67 HydrophobicContact CD1-CD1 4.46Å; F41-L67 HydrophobicContact CD2-CD1 4.42Å; F41-L67 HydrophobicContact CG-CD1 4.04Å |
| 42 | K | 85.4 | Confident | 78.7 | Confident | 112 Ų | 112 | 58.4 Ų | 58.4 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.7 | -48.2 | 176.9 | -68.6 | 156.6 | -161.3 | 166.8 | 0 | 110.7 | E38 E39 N45 L46 | E38-K42 WeakPolarHBondContact O-CD 3.17Å; E38-K42 WeakPolarHBondContact O-CE 3.37Å; E38-K42 WeakPolarHBondContact O-CG 3.34Å; E38-K42 PolarHBondContact O-N 2.89Å; E38-K42 IonicContact OE2-NZ 3.38Å; E38-K42 PolarHBondContact OE2-NZ 2.83Å; E39-K42 PolarHBondContact O-N 3.36Å; K42-N45 PolarHBondContact O-N 2.87Å; K42-L46 WeakPolarHBondContact O-CG 3.42Å; K42-L46 PolarHBondContact O-N 3.03Å |
| 43 | L | 85.5 | Confident | 79 | Confident | 22 Ų | 22 | 59.9 Ų | 59.9 | 12% | 0.115 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.5 | -36.3 | -179.3 | -66.6 | 167.4 | 0 | 0 | 0 | 113.3 | Y24 E27 A28 A31 E39 A40 L46 A47 | Y24-L43 HydrophobicContact CD1-CD2 3.97Å; E27-L43 HydrophobicContact CB-CD1 4.02Å; A28-L43 HydrophobicContact CB-CB 3.6Å; A31-L43 HydrophobicContact CB-CD1 4.28Å; E39-L43 HydrophobicContact CG-CD1 3.73Å; E39-L43 HydrophobicContact CG-CG 4.28Å; E39-L43 WeakPolarHBondContact O-CB 3.43Å; E39-L43 VanDerWaalsContact O-CG 3.28Å; E39-L43 WeakPolarHBondContact O-CG 3.35Å; E39-L43 PolarHBondContact O-N 3.11Å; A40-L43 PolarHBondContact O-N 2.93Å; L43-L46 HydrophobicContact CD2-CD1 4.46Å; L43-L46 PolarHBondContact O-N 3.39Å; L43-A47 PolarHBondContact O-N 2.97Å |
| 44 | F | 84.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -70.1 | -35.8 | 173.3 | -79.6 | -55.7 | 0 | 0 | 0 | 112.5 | A28 K29 A40 A47 K48 V56 I60 I63 | A28-F44 HydrophobicContact CB-CD1 3.69Å; A28-F44 HydrophobicContact CB-CD2 3.75Å; A28-F44 HydrophobicContact CB-CE1 3.63Å; A28-F44 HydrophobicContact CB-CE2 3.69Å; A28-F44 HydrophobicContact CB-CG 3.74Å; A28-F44 HydrophobicContact CB-CZ 3.62Å; K29-F44 HydrophobicContact CG-CZ 4.47Å; A40-F44 HydrophobicContact CB-CD2 4.46Å; A40-F44 WeakPolarHBondContact O-CB 3.28Å; A40-F44 WeakPolarHBondContact O-CD2 3.22Å; A40-F44 PolarHBondContact O-N 2.84Å; F44-A47 WeakPolarHBondContact O-CB 3.39Å; F44-A47 PolarHBondContact O-N 3.21Å; F44-K48 PolarHBondContact O-N 3.47Å; F44-V56 HydrophobicContact CD1-CG1 4.38Å; F44-I60 HydrophobicContact CB-CD1 4.27Å; F44-I60 HydrophobicContact CB-CG1 3.7Å; F44-I63 HydrophobicContact CD2-CD1 3.52Å; F44-I63 HydrophobicContact CE2-CD1 3.73Å |
| 45 | N | 82.9 | Confident | 79.5 | Confident | 32 Ų | 32 | 62.3 Ų | 62.3 | 17% | 0.171 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -43.3 | 172 | -80.5 | -72.9 | 0 | 0 | 0 | 111.4 | F41 K42 A47 K48 D49 | F41-N45 WeakPolarHBondContact CE1-ND2 3.18Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.47Å; F41-N45 PolarHBondContact O-N 3.47Å; F41-N45 PolarHBondContact O-ND2 3.24Å; K42-N45 PolarHBondContact O-N 2.87Å; N45-A47 PolarHBondContact O-N 3.29Å; N45-K48 WeakPolarHBondContact O-CB 3.46Å; N45-K48 PolarHBondContact O-N 3.45Å; N45-D49 VanDerWaalsContact O-CG 3.25Å; N45-D49 PolarHBondContact O-N 3.06Å |
| 46 | L | 84.1 | Confident | 80 | Confident | 78 Ų | 78 | 61.2 Ų | 61.2 | 41% | 0.408 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -33.7 | 172.1 | -70.3 | 170.7 | 0 | 0 | 0 | 113.1 | Y24 K42 L43 | Y24-L46 HydrophobicContact CD2-CB 4.42Å; Y24-L46 HydrophobicContact CE1-CD1 4.36Å; Y24-L46 HydrophobicContact CG-CB 4.4Å; K42-L46 WeakPolarHBondContact O-CG 3.42Å; K42-L46 PolarHBondContact O-N 3.03Å; L43-L46 HydrophobicContact CD2-CD1 4.46Å; L43-L46 PolarHBondContact O-N 3.39Å |
| 47 | A | 82.8 | Confident | 79.9 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -70.7 | -41.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y21 V25 L43 F44 N45 D49 I50 F51 | Y21-A47 HydrophobicContact CD2-CB 4.06Å; Y21-A47 WeakPolarHBondContact CD2-O 3.49Å; Y21-A47 HydrophobicContact CE2-CB 4.14Å; V25-A47 HydrophobicContact CG2-CB 3.74Å; L43-A47 PolarHBondContact O-N 2.97Å; F44-A47 WeakPolarHBondContact O-CB 3.39Å; F44-A47 PolarHBondContact O-N 3.21Å; N45-A47 PolarHBondContact O-N 3.29Å; A47-D49 VanDerWaalsContact C-N 3.33Å; A47-D49 PolarHBondContact O-N 2.98Å; A47-I50 PolarHBondContact O-N 3.13Å; A47-F51 PolarHBondContact O-N 2.98Å |
| 48 | K | 85 | Confident | 79.8 | Confident | 70 Ų | 70 | 62.3 Ų | 62.3 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -39.4 | 175 | 159.8 | -167 | 167.4 | -166.9 | 0 | 112.1 | F44 N45 I50 F51 P52 V56 L57 I60 | F44-K48 PolarHBondContact O-N 3.47Å; N45-K48 WeakPolarHBondContact O-CB 3.46Å; N45-K48 PolarHBondContact O-N 3.45Å; K48-I50 PolarHBondContact O-N 2.61Å; K48-F51 CarbonylContact O-C 3.56Å; K48-F51 VanDerWaalsContact O-C 3.28Å; K48-F51 PolarHBondContact O-N 2.87Å; K48-P52 HydrophobicContact CG-CB 4.43Å; K48-V56 HydrophobicContact CB-CG1 4.09Å; K48-L57 HydrophobicContact CD-CD2 3.78Å; K48-L57 HydrophobicContact CG-CD2 3.97Å; K48-I60 HydrophobicContact CB-CD1 3.63Å; K48-I60 HydrophobicContact CD-CD1 3.52Å; K48-I60 HydrophobicContact CG-CD1 4.17Å |
| 49 | D | 81.6 | Confident | 79.6 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 65% | 0.652 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.4 | -23.8 | 179.9 | -64.8 | -21.7 | 0 | 0 | 0 | 112.5 | N45 A47 | N45-D49 VanDerWaalsContact O-CG 3.25Å; N45-D49 PolarHBondContact O-N 3.06Å; A47-D49 VanDerWaalsContact C-N 3.33Å; A47-D49 PolarHBondContact O-N 2.98Å |
| 50 | I | 82.3 | Confident | 79.6 | Confident | 46 Ų | 46 | 53.4 Ų | 53.4 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -85 | -45.7 | 170.6 | -60.3 | 168.8 | 0 | 0 | 0 | 111 | L13 Q17 H20 Y24 A47 K48 | L13-I50 HydrophobicContact CD2-CG2 4.2Å; Q17-I50 HydrophobicContact CB-CG2 3.98Å; H20-I50 HydrophobicContact CB-CD1 3.92Å; Y24-I50 HydrophobicContact CD2-CD1 3.74Å; Y24-I50 HydrophobicContact CE2-CD1 3.85Å; A47-I50 PolarHBondContact O-N 3.13Å; K48-I50 PolarHBondContact O-N 2.61Å |
| 51 | F | 79.5 | Confident | 79.5 | Confident | 51 Ų | 51 | 58.8 Ų | 58.8 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | trans | -151.2 | 109.8 | 179 | -169 | -109.6 | 0 | 0 | 0 | 111.9 | L13 Y21 A47 K48 N53 | L13-F51 HydrophobicContact CD1-CB 4.07Å; L13-F51 HydrophobicContact CD1-CD2 3.85Å; L13-F51 HydrophobicContact CD1-CE2 4.46Å; L13-F51 HydrophobicContact CD1-CG 3.96Å; L13-F51 HydrophobicContact CD2-CB 4.4Å; L13-F51 HydrophobicContact CD2-CD2 4.23Å; L13-F51 HydrophobicContact CG-CD2 4.15Å; Y21-F51 HydrophobicContact CD2-CB 3.94Å; Y21-F51 HydrophobicContact CE2-CB 3.9Å; Y21-F51 HydrophobicContact CE2-CD1 4.48Å; A47-F51 PolarHBondContact O-N 2.98Å; K48-F51 CarbonylContact O-C 3.56Å; K48-F51 VanDerWaalsContact O-C 3.28Å; K48-F51 PolarHBondContact O-N 2.87Å; F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 HydrophobicContact CD1-CB 3.95Å; F51-N53 HydrophobicContact CE1-CB 4.09Å; F51-N53 PolarHBondContact O-N 3.17Å | ||
| 52 | P | 74.6 | Confident | 79 | Confident | 86 Ų | 86 | 59.7 Ų | 59.7 | 56% | 0.558 | 30% | 0.296 | S | S | * | . | trans | -79.5 | 70.1 | -176.2 | 32.4 | -36.1 | 0 | 0 | 0 | 111.9 | K48 | K48-P52 HydrophobicContact CG-CB 4.43Š| ||
| 53 | N | 79.5 | Confident | 78.7 | Confident | 30 Ų | 30 | 54.4 Ų | 54.4 | 16% | 0.16 | 27% | 0.272 | C | S | . | . | trans | -71.6 | 138.1 | 174.6 | -170.7 | -78.2 | 0 | 0 | 0 | 111.2 | F51 K55 V56 L57 | F51-N53 VanDerWaalsContact C-N 3.27Å; F51-N53 HydrophobicContact CD1-CB 3.95Å; F51-N53 HydrophobicContact CE1-CB 4.09Å; F51-N53 PolarHBondContact O-N 3.17Å; N53-K55 PolarHBondContact O-N 3Å; N53-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 VanDerWaalsContact OD1-CB 3.27Å; N53-K55 WeakPolarHBondContact OD1-CB 3.29Å; N53-K55 PolarHBondContact OD1-N 2.77Å; N53-V56 HydrophobicContact CB-CB 4.43Å; N53-V56 HydrophobicContact CB-CG2 4.18Å; N53-V56 WeakPolarHBondContact O-CA 3.22Å; N53-V56 WeakPolarHBondContact O-CB 3.45Å; N53-V56 PolarHBondContact O-N 2.93Å; N53-L57 PolarHBondContact O-N 3.33Å | ||
| 54 | E | 72.1 | Confident | 78.3 | Confident | 163 Ų | 163 | 57.7 Ų | 57.7 | 76% | 0.762 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -52.9 | -37.2 | 178.1 | -170.2 | 179.7 | -146.4 | 0 | 0 | 113.1 | V56 L57 S58 | E54-V56 VanDerWaalsContact C-N 3.31Å; E54-V56 PolarHBondContact O-N 3.17Å; E54-L57 PolarHBondContact O-N 2.62Å; E54-S58 WeakPolarHBondContact O-CB 3.26Å; E54-S58 PolarHBondContact O-N 2.83Å |
| 55 | K | 70.9 | Confident | 77.9 | Confident | 101 Ų | 101 | 61.9 Ų | 61.9 | 44% | 0.439 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -70.1 | -25 | 176.2 | -58.9 | 179.4 | -179.4 | 178.2 | 0 | 113.3 | N53 R59 | N53-K55 PolarHBondContact O-N 3Å; N53-K55 VanDerWaalsContact O-N 3.16Å; N53-K55 VanDerWaalsContact OD1-CB 3.27Å; N53-K55 WeakPolarHBondContact OD1-CB 3.29Å; N53-K55 PolarHBondContact OD1-N 2.77Å; K55-R59 WeakPolarHBondContact O-CG 3.34Å |
| 56 | V | 75.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -81.8 | -44 | 173.6 | 175.1 | 0 | 0 | 0 | 0 | 109.6 | Y21 F44 K48 N53 E54 S58 R59 I60 | Y21-V56 HydrophobicContact CE2-CG2 4.34Å; Y21-V56 WeakPolarHBondContact OH-CG2 3.28Å; F44-V56 HydrophobicContact CD1-CG1 4.38Å; K48-V56 HydrophobicContact CB-CG1 4.09Å; N53-V56 HydrophobicContact CB-CB 4.43Å; N53-V56 HydrophobicContact CB-CG2 4.18Å; N53-V56 WeakPolarHBondContact O-CA 3.22Å; N53-V56 WeakPolarHBondContact O-CB 3.45Å; N53-V56 PolarHBondContact O-N 2.93Å; E54-V56 VanDerWaalsContact C-N 3.31Å; E54-V56 PolarHBondContact O-N 3.17Å; V56-S58 PolarHBondContact O-N 3.06Å; V56-R59 PolarHBondContact O-N 3.23Å; V56-R59 VanDerWaalsContact O-N 3.11Å; V56-I60 HydrophobicContact CG1-CD1 3.82Å; V56-I60 HydrophobicContact CG1-CG1 4.37Å; V56-I60 WeakPolarHBondContact O-CG1 3.4Å; V56-I60 PolarHBondContact O-N 3.35Å |
| 57 | L | 74.3 | Confident | 76.8 | Confident | 73 Ų | 73 | 58.9 Ų | 58.9 | 38% | 0.382 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.7 | -46.1 | 175.1 | -64.9 | 172.7 | 0 | 0 | 0 | 111.9 | K48 N53 E54 R59 I60 Q61 | K48-L57 HydrophobicContact CD-CD2 3.78Å; K48-L57 HydrophobicContact CG-CD2 3.97Å; N53-L57 PolarHBondContact O-N 3.33Å; E54-L57 PolarHBondContact O-N 2.62Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 2.84Å; L57-I60 PolarHBondContact O-N 2.97Å; L57-Q61 PolarHBondContact O-N 3.13Å |
| 58 | S | 73.8 | Confident | 76.1 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.3 | -31.8 | 175.8 | -176 | 0 | 0 | 0 | 0 | 113.4 | E54 V56 K62 | E54-S58 WeakPolarHBondContact O-CB 3.26Å; E54-S58 PolarHBondContact O-N 2.83Å; V56-S58 PolarHBondContact O-N 3.06Å; S58-K62 WeakPolarHBondContact O-CG 3.24Å; S58-K62 PolarHBondContact O-N 3.3Å |
| 59 | R | 72.8 | Confident | 74.9 | Confident | 29 Ų | 29 | 65.4 Ų | 65.4 | 11% | 0.109 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -72.5 | -43.1 | 173.3 | -78.3 | 173.4 | 174.1 | 157.9 | -2.9 | 111.9 | K55 V56 L57 Q61 K62 I63 V1111 | K55-R59 WeakPolarHBondContact O-CG 3.34Å; V56-R59 PolarHBondContact O-N 3.23Å; V56-R59 VanDerWaalsContact O-N 3.11Å; L57-R59 VanDerWaalsContact C-N 3.3Å; L57-R59 PolarHBondContact O-N 2.84Å; R59-Q61 VanDerWaalsContact C-N 3.35Å; R59-Q61 PolarHBondContact O-N 2.85Å; R59-K62 PolarHBondContact O-N 3.48Å; R59-I63 WeakPolarHBondContact O-CB 3.42Å; R59-I63 WeakPolarHBondContact O-CD1 3.41Å; R59-I63 VanDerWaalsContact O-CG1 3.26Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 2.68Å; R59-V1111 HydrophobicContact CG-CG2 4.37Å; R59-V1111 PolarHBondContact NH2-O 3.36Å |
| 60 | I | 79.6 | Confident | 74 | Confident | 9 Ų | 9 | 61.6 Ų | 61.6 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.8 | -46.5 | 176.3 | -68.6 | 167.2 | 0 | 0 | 0 | 110.3 | F41 F44 K48 V56 L57 I63 Q64 | F41-I60 HydrophobicContact CD2-CG2 4.28Å; F41-I60 HydrophobicContact CE2-CG2 3.63Å; F41-I60 HydrophobicContact CZ-CG2 4.39Å; F44-I60 HydrophobicContact CB-CD1 4.27Å; F44-I60 HydrophobicContact CB-CG1 3.7Å; K48-I60 HydrophobicContact CB-CD1 3.63Å; K48-I60 HydrophobicContact CD-CD1 3.52Å; K48-I60 HydrophobicContact CG-CD1 4.17Å; V56-I60 HydrophobicContact CG1-CD1 3.82Å; V56-I60 HydrophobicContact CG1-CG1 4.37Å; V56-I60 WeakPolarHBondContact O-CG1 3.4Å; V56-I60 PolarHBondContact O-N 3.35Å; L57-I60 PolarHBondContact O-N 2.97Å; I60-I63 PolarHBondContact O-N 2.93Å; I60-Q64 WeakPolarHBondContact O-CB 3.47Å; I60-Q64 PolarHBondContact O-N 3.37Å |
| 61 | Q | 78.6 | Confident | 72.8 | Confident | 113 Ų | 113 | 63.3 Ų | 63.3 | 53% | 0.528 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.6 | -51.2 | 176.8 | -179.4 | 179.8 | -13.1 | 0 | 0 | 111.6 | L57 R59 I63 Q64 E65 | L57-Q61 PolarHBondContact O-N 3.13Å; R59-Q61 VanDerWaalsContact C-N 3.35Å; R59-Q61 PolarHBondContact O-N 2.85Å; Q61-I63 VanDerWaalsContact C-N 3.32Å; Q61-I63 PolarHBondContact O-N 3.49Å; Q61-Q64 WeakPolarHBondContact O-CB 3.48Å; Q61-Q64 PolarHBondContact O-N 2.92Å; Q61-Q64 VanDerWaalsContact O-N 3.13Å; Q61-E65 HydrophobicContact CG-CG 4.38Å; Q61-E65 VanDerWaalsContact CG-OE1 3.29Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.17Å; Q61-E65 PolarHBondContact NE2-OE1 3.23Å; Q61-E65 WeakPolarHBondContact O-CG 3.41Å; Q61-E65 PolarHBondContact O-N 3.19Å |
| 62 | K | 73.7 | Confident | 71.6 | Confident | 72 Ų | 72 | 66.7 Ų | 66.7 | 31% | 0.313 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.3 | -30.9 | -179 | -70.5 | -176.4 | 179.2 | -166.6 | 0 | 113.9 | S58 R59 A66 V1107 H1110 | S58-K62 WeakPolarHBondContact O-CG 3.24Å; S58-K62 PolarHBondContact O-N 3.3Å; R59-K62 PolarHBondContact O-N 3.48Å; K62-A66 WeakPolarHBondContact O-CB 3.27Å; K62-A66 PolarHBondContact O-N 3.02Å; K62-A66 VanDerWaalsContact O-N 3.09Å; K62-V1107 HydrophobicContact CB-CG2 4.38Å; K62-H1110 PolarHBondContact NZ-CD2 2.92Å; K62-H1110 VanDerWaalsContact NZ-CD2 3.28Å; K62-H1110 PolarHBondContact NZ-CE1 3.16Å; K62-H1110 PolarHBondContact NZ-NE2 3.39Å |
| 63 | I | 79.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -74.5 | -35.5 | 173.7 | -66 | 165.3 | 0 | 0 | 0 | 110.3 | L37 A40 F41 F44 R59 I60 Q61 A66 L67 V1107 | L37-I63 HydrophobicContact CB-CG2 4.35Å; L37-I63 WeakPolarHBondContact O-CG2 3.26Å; A40-I63 HydrophobicContact CB-CD1 4.37Å; F41-I63 HydrophobicContact CB-CG2 3.76Å; F41-I63 HydrophobicContact CD2-CB 4.3Å; F41-I63 HydrophobicContact CD2-CG2 3.92Å; F41-I63 HydrophobicContact CG-CG2 4.28Å; F44-I63 HydrophobicContact CD2-CD1 3.52Å; F44-I63 HydrophobicContact CE2-CD1 3.73Å; R59-I63 WeakPolarHBondContact O-CB 3.42Å; R59-I63 WeakPolarHBondContact O-CD1 3.41Å; R59-I63 VanDerWaalsContact O-CG1 3.26Å; R59-I63 WeakPolarHBondContact O-CG1 3.39Å; R59-I63 PolarHBondContact O-N 2.68Å; I60-I63 PolarHBondContact O-N 2.93Å; Q61-I63 VanDerWaalsContact C-N 3.32Å; Q61-I63 PolarHBondContact O-N 3.49Å; I63-A66 PolarHBondContact O-N 3.28Å; I63-L67 HydrophobicContact CG2-CD1 3.95Å; I63-L67 HydrophobicContact CG2-CG 4.4Å; I63-L67 WeakPolarHBondContact O-CB 3.39Å; I63-L67 VanDerWaalsContact O-CG 3.27Å; I63-L67 WeakPolarHBondContact O-CG 3.5Å; I63-L67 PolarHBondContact O-N 3.45Å; I63-V1107 HydrophobicContact CD1-CG1 4.43Å; I63-V1107 HydrophobicContact CG1-CG1 3.86Å |
| 64 | Q | 77.7 | Confident | 68.6 | Low | 91 Ų | 91 | 66.4 Ų | 66.4 | 43% | 0.425 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -64 | -51.4 | 172.5 | -170.6 | 179 | -35.8 | 0 | 0 | 111.1 | F41 I60 Q61 A66 L67 E68 | F41-Q64 HydrophobicContact CE2-CB 3.87Å; F41-Q64 HydrophobicContact CE2-CG 4.44Å; F41-Q64 HydrophobicContact CZ-CB 4.42Å; I60-Q64 WeakPolarHBondContact O-CB 3.47Å; I60-Q64 PolarHBondContact O-N 3.37Å; Q61-Q64 WeakPolarHBondContact O-CB 3.48Å; Q61-Q64 PolarHBondContact O-N 2.92Å; Q61-Q64 VanDerWaalsContact O-N 3.13Å; Q64-A66 VanDerWaalsContact C-N 3.27Å; Q64-A66 PolarHBondContact O-N 2.83Å; Q64-L67 PolarHBondContact O-N 2.91Å; Q64-E68 VanDerWaalsContact O-CB 3.28Å; Q64-E68 WeakPolarHBondContact O-CB 3.31Å; Q64-E68 PolarHBondContact O-N 3.03Å |
| 65 | E | 75.6 | Confident | 67.4 | Low | 88 Ų | 88 | 66.5 Ų | 66.5 | 41% | 0.411 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -52.5 | -45.6 | 175.2 | -71.5 | 164.6 | 173.7 | 0 | 0 | 110.9 | Q61 E68 E69 | Q61-E65 HydrophobicContact CG-CG 4.38Å; Q61-E65 VanDerWaalsContact CG-OE1 3.29Å; Q61-E65 WeakPolarHBondContact CG-OE1 3.17Å; Q61-E65 PolarHBondContact NE2-OE1 3.23Å; Q61-E65 WeakPolarHBondContact O-CG 3.41Å; Q61-E65 PolarHBondContact O-N 3.19Å; E65-E68 PolarHBondContact O-N 2.91Å; E65-E69 WeakPolarHBondContact O-CB 3.38Å; E65-E69 WeakPolarHBondContact O-CG 3.3Å; E65-E69 PolarHBondContact O-N 3.09Å |
| 66 | A | 68.3 | Low | 66.6 | Low | 2 Ų | 2 | 64 Ų | 64 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L37 K62 I63 Q64 L70 L1103 | L37-A66 HydrophobicContact CD1-CB 4.12Å; K62-A66 WeakPolarHBondContact O-CB 3.27Å; K62-A66 PolarHBondContact O-N 3.02Å; K62-A66 VanDerWaalsContact O-N 3.09Å; I63-A66 PolarHBondContact O-N 3.28Å; Q64-A66 VanDerWaalsContact C-N 3.27Å; Q64-A66 PolarHBondContact O-N 2.83Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 WeakPolarHBondContact O-CD1 3.44Å; A66-L70 WeakPolarHBondContact O-CG 3.38Å; A66-L70 PolarHBondContact O-N 3.19Å; A66-L70 VanDerWaalsContact O-N 3.07Å; A66-L1103 HydrophobicContact CB-CB 4.24Å |
| 67 | L | 74.3 | Confident | 66.2 | Low | 46 Ų | 46 | 69.2 Ų | 69.2 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -70.8 | -34.8 | 176.7 | -75.7 | 169.5 | 0 | 0 | 0 | 112.3 | L37 E38 F41 I63 Q64 L70 A71 | L37-L67 HydrophobicContact CB-CD2 3.84Å; L37-L67 HydrophobicContact CB-CG 4.23Å; E38-L67 HydrophobicContact CG-CD2 4.12Å; F41-L67 HydrophobicContact CB-CD1 3.94Å; F41-L67 HydrophobicContact CD1-CD1 4.46Å; F41-L67 HydrophobicContact CD2-CD1 4.42Å; F41-L67 HydrophobicContact CG-CD1 4.04Å; I63-L67 HydrophobicContact CG2-CD1 3.95Å; I63-L67 HydrophobicContact CG2-CG 4.4Å; I63-L67 WeakPolarHBondContact O-CB 3.39Å; I63-L67 VanDerWaalsContact O-CG 3.27Å; I63-L67 WeakPolarHBondContact O-CG 3.5Å; I63-L67 PolarHBondContact O-N 3.45Å; Q64-L67 PolarHBondContact O-N 2.91Å; L67-L70 PolarHBondContact O-N 2.85Å; L67-A71 PolarHBondContact O-N 2.66Å |
| 68 | E | 69.6 | Low | 66.2 | Low | 120 Ų | 120 | 68.2 Ų | 68.2 | 56% | 0.561 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -74.4 | -41.8 | -180 | -157.8 | 152 | -151.4 | 0 | 0 | 110.5 | Q64 E65 L70 A71 E72 | Q64-E68 VanDerWaalsContact O-CB 3.28Å; Q64-E68 WeakPolarHBondContact O-CB 3.31Å; Q64-E68 PolarHBondContact O-N 3.03Å; E65-E68 PolarHBondContact O-N 2.91Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.41Å; E68-A71 PolarHBondContact O-N 3.4Å; E68-A71 VanDerWaalsContact O-N 3.17Å; E68-E72 PolarHBondContact O-N 3.11Å |
| 69 | E | 59.6 | Low | 66.3 | Low | 87 Ų | 87 | 68 Ų | 68 | 41% | 0.407 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -35 | 168.5 | -75.9 | -170.9 | 179.8 | 0 | 0 | 112.9 | E65 A71 L1103 | E65-E69 WeakPolarHBondContact O-CB 3.38Å; E65-E69 WeakPolarHBondContact O-CG 3.3Å; E65-E69 PolarHBondContact O-N 3.09Å; E69-A71 VanDerWaalsContact C-N 3.25Å; E69-A71 PolarHBondContact O-N 3.03Å; E69-L1103 HydrophobicContact CB-CD1 4.28Å; E69-L1103 VanDerWaalsContact OE2-CD1 3.23Å; E69-L1103 WeakPolarHBondContact OE2-CD1 3.29Å; E69-L1103 WeakPolarHBondContact OE2-CD2 3.24Å |
| 70 | L | 61.7 | Low | 66.6 | Low | 42 Ų | 42 | 69.1 Ų | 69.1 | 22% | 0.22 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -70 | -18.8 | 175.7 | -79.3 | 170.3 | 0 | 0 | 0 | 113.8 | L37 A66 L67 E68 R1100 | L37-L70 HydrophobicContact CD1-CD1 3.92Å; A66-L70 WeakPolarHBondContact O-CB 3.44Å; A66-L70 WeakPolarHBondContact O-CD1 3.44Å; A66-L70 WeakPolarHBondContact O-CG 3.38Å; A66-L70 PolarHBondContact O-N 3.19Å; A66-L70 VanDerWaalsContact O-N 3.07Å; L67-L70 PolarHBondContact O-N 2.85Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.41Å; L70-R1100 HydrophobicContact CD2-CB 3.82Å; L70-R1100 HydrophobicContact CD2-CG 3.8Å; L70-R1100 VanDerWaalsContact CD2-NE 3.3Å |
| 71 | A | 58 | Low | 66.5 | Low | 82 Ų | 82 | 68.7 Ų | 68.7 | 68% | 0.678 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -95.3 | -26.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | L67 E68 E69 Q73 | L67-A71 PolarHBondContact O-N 2.66Å; E68-A71 PolarHBondContact O-N 3.4Å; E68-A71 VanDerWaalsContact O-N 3.17Å; E69-A71 VanDerWaalsContact C-N 3.25Å; E69-A71 PolarHBondContact O-N 3.03Å; A71-Q73 VanDerWaalsContact C-N 3.3Å; A71-Q73 PolarHBondContact O-N 3.37Å |
| 72 | E | 54.2 | Low | 66.4 | Low | 122 Ų | 122 | 65.8 Ų | 65.8 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -78.8 | -6.1 | 178.9 | -75.9 | -141 | 125.1 | 0 | 0 | 114.7 | E68 K1089 | E68-E72 PolarHBondContact O-N 3.11Å; E72-K1089 IonicContact OE1-NZ 2.77Å; E72-K1089 PolarHBondContact OE1-NZ 3.12Å |
| 73 | Q | 48.4 | Very low | 66.5 | Low | 49 Ų | 49 | 69.5 Ų | 69.5 | 23% | 0.229 | 38% | 0.378 | C | S | . | . | trans | -107.5 | 87.4 | -171.4 | -64.7 | -179.3 | 7.2 | 0 | 0 | 112.4 | A71 | A71-Q73 VanDerWaalsContact C-N 3.3Å; A71-Q73 PolarHBondContact O-N 3.37Å | ||
| 74 | G | 42.7 | Very low | 66.3 | Low | 61 Ų | 61 | 70.2 Ų | 70.2 | 63% | 0.629 | 38% | 0.383 | S | S | * | . | trans | -84 | 146.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 75 | D | 45.8 | Very low | 66.1 | Low | 164 Ų | 164 | 67.9 Ų | 67.9 | 88% | 0.877 | 38% | 0.384 | S | S | * | . | trans | 52.3 | 80.1 | 175.2 | -61.1 | -13.1 | 0 | 0 | 0 | 116.2 | E77 | D75-E77 PolarHBondContact O-N 2.89Š| ||
| 76 | D | 54.5 | Low | 66.5 | Low | 49 Ų | 49 | 63.8 Ų | 63.8 | 26% | 0.262 | 36% | 0.364 | S | S | . | . | trans | -61.7 | 91 | 164.5 | -77.1 | -72.5 | 0 | 0 | 0 | 111 | F78 L1097 R1100 | D76-F78 HydrophobicContact CB-CD2 4.1Å; D76-F78 HydrophobicContact CB-CE2 3.84Å; D76-F78 WeakPolarHBondContact O-CD2 3.31Å; D76-F78 PolarHBondContact O-N 2.77Å; D76-F78 VanDerWaalsContact O-N 3.17Å; D76-L1097 VanDerWaalsContact OD2-CD2 3.23Å; D76-L1097 WeakPolarHBondContact OD2-CD2 3.19Å; D76-R1100 IonicContact OD2-CZ 2.85Å; D76-R1100 IonicContact OD2-NH1 2.64Å; D76-R1100 PolarHBondContact OD2-NH1 2.54Å | ||
| 77 | E | 68.5 | Low | 67.2 | Low | 111 Ų | 111 | 68 Ų | 68 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | trans | -73 | 108 | 176.5 | -162.9 | 177.6 | -168.6 | 0 | 0 | 111.3 | D75 R90 | D75-E77 PolarHBondContact O-N 2.89Å; E77-R90 WeakPolarHBondContact O-CB 3.32Å; E77-R90 PolarHBondContact O-N 3.44Å; E77-R90 IonicContact OE1-NH1 3.81Å; E77-R90 PolarHBondContact OE1-NH1 3.3Å; E77-R90 WeakPolarHBondContact OE2-CD 3.44Å; E77-R90 IonicContact OE2-CZ 3.07Å; E77-R90 IonicContact OE2-NE 3.09Å; E77-R90 IonicContact OE2-NH1 3.25Å; E77-R90 PolarHBondContact OE2-NH1 2.93Å | ||
| 78 | F | 72.7 | Confident | 67.7 | Low | 53 Ų | 53 | 65.8 Ų | 65.8 | 23% | 0.232 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 140 | 174.7 | -84.2 | -88.2 | 0 | 0 | 0 | 111.7 | D76 L87 L88 L1097 | D76-F78 HydrophobicContact CB-CD2 4.1Å; D76-F78 HydrophobicContact CB-CE2 3.84Å; D76-F78 WeakPolarHBondContact O-CD2 3.31Å; D76-F78 PolarHBondContact O-N 2.77Å; D76-F78 VanDerWaalsContact O-N 3.17Å; F78-L87 HydrophobicContact CB-CB 4.16Å; F78-L87 HydrophobicContact CB-CD1 4.32Å; F78-L87 HydrophobicContact CB-CD2 4.39Å; F78-L87 HydrophobicContact CD1-CB 3.95Å; F78-L87 HydrophobicContact CG-CB 4.39Å; F78-L88 WeakPolarHBondContact CA-O 3.32Å; F78-L88 VanDerWaalsContact CD1-C 3.42Å; F78-L88 WeakPolarHBondContact CD1-O 3.14Å; F78-L1097 HydrophobicContact CE2-CD1 3.49Å; F78-L1097 VanDerWaalsContact CE2-CD1 3.49Å; F78-L1097 HydrophobicContact CE2-CG 3.66Å; F78-L1097 HydrophobicContact CZ-CB 4.09Å; F78-L1097 HydrophobicContact CZ-CD1 3.53Å; F78-L1097 HydrophobicContact CZ-CG 3.61Å |
| 79 | T | 77.1 | Confident | 68.2 | Low | 38 Ų | 38 | 61.5 Ų | 61.5 | 23% | 0.233 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 135.7 | -178.7 | -42.6 | 0 | 0 | 0 | 0 | 110.8 | L87 L88 | T79-L87 WeakPolarHBondContact O-CA 3.49Å; T79-L88 PolarHBondContact N-O 2.92Å; T79-L88 PolarHBondContact O-N 2.97Å |
| 80 | D | 78.8 | Confident | 69 | Low | 52 Ų | 52 | 61 Ų | 61 | 28% | 0.278 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 124.8 | 175.9 | -172.4 | -21.9 | 0 | 0 | 0 | 110.9 | C82 N83 S84 G85 L86 L87 | D80-C82 PolarHBondContact O-N 3.08Å; D80-N83 WeakPolarHBondContact OD1-CA 3.34Å; D80-N83 PolarHBondContact OD1-N 2.85Å; D80-S84 PolarHBondContact OD1-N 2.94Å; D80-G85 PolarHBondContact OD1-N 3.46Å; D80-G85 WeakPolarHBondContact OD2-CA 3.39Å; D80-G85 PolarHBondContact OD2-N 3.23Å; D80-L86 WeakPolarHBondContact CA-O 3.43Å; D80-L87 HydrophobicContact CB-CD2 4.13Å |
| 81 | V | 78.3 | Confident | 69.7 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -69.6 | 103.9 | 177.4 | -173.5 | 0 | 0 | 0 | 0 | 110.2 | N83 S84 L86 L88 K101 I104 A105 | V81-N83 PolarHBondContact O-N 2.64Å; V81-S84 WeakPolarHBondContact O-CB 3.44Å; V81-S84 PolarHBondContact O-N 2.99Å; V81-S84 PolarHBondContact O-OG 3.17Å; V81-L86 PolarHBondContact N-O 3.42Å; V81-L88 HydrophobicContact CG2-CB 4.17Å; V81-L88 HydrophobicContact CG2-CD1 3.44Å; V81-L88 VanDerWaalsContact CG2-CD1 3.44Å; V81-L88 HydrophobicContact CG2-CG 3.52Å; V81-K101 HydrophobicContact CG1-CB 3.93Å; V81-K101 WeakPolarHBondContact CG1-O 3.1Å; V81-I104 HydrophobicContact CB-CG2 4.44Å; V81-I104 HydrophobicContact CG1-CB 4.1Å; V81-I104 HydrophobicContact CG1-CG2 4.02Å; V81-I104 HydrophobicContact CG2-CG2 4.26Å; V81-A105 HydrophobicContact CG1-CB 4.42Å |
| 82 | C | 74.9 | Confident | 70.9 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 35% | 0.351 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | 56 | 31.5 | 176.7 | -51.7 | 0 | 0 | 0 | 0 | 114.5 | D80 S84 K101 A105 | D80-C82 PolarHBondContact O-N 3.08Å; C82-S84 PolarHBondContact O-N 3.43Å; C82-K101 VanDerWaalsContact SG-CB 3.52Å; C82-A105 HydrophobicContact CB-CB 4.07Å |
| 83 | N | 75.8 | Confident | 72.4 | Confident | 150 Ų | 150 | 55.1 Ų | 55.1 | 80% | 0.802 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | 55.7 | 37.1 | -173.5 | -52.9 | -61.5 | 0 | 0 | 0 | 113 | D80 V81 | D80-N83 WeakPolarHBondContact OD1-CA 3.34Å; D80-N83 PolarHBondContact OD1-N 2.85Å; V81-N83 PolarHBondContact O-N 2.64Å |
| 84 | S | 75.7 | Confident | 74 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 11% | 0.105 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -84.4 | -18.2 | 179.2 | 65.4 | 0 | 0 | 0 | 0 | 113 | D80 V81 C82 L86 Y108 | D80-S84 PolarHBondContact OD1-N 2.94Å; V81-S84 WeakPolarHBondContact O-CB 3.44Å; V81-S84 PolarHBondContact O-N 2.99Å; V81-S84 PolarHBondContact O-OG 3.17Å; C82-S84 PolarHBondContact O-N 3.43Å; S84-L86 PolarHBondContact OG-N 3.09Å; S84-Y108 WeakPolarHBondContact O-CE1 3.45Å |
| 85 | G | 74.3 | Confident | 76.1 | Confident | 42 Ų | 42 | 57.1 Ų | 57.1 | 43% | 0.433 | 30% | 0.301 | S | S | . | . | S | Bend | trans | 88.3 | 13.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D80 Y108 | D80-G85 PolarHBondContact OD1-N 3.46Å; D80-G85 WeakPolarHBondContact OD2-CA 3.39Å; D80-G85 PolarHBondContact OD2-N 3.23Å; G85-Y108 WeakPolarHBondContact O-CE1 3.12Å; G85-Y108 PolarHBondContact O-OH 3.42Å; G85-Y108 VanDerWaalsContact O-OH 3.08Å |
| 86 | L | 83.9 | Confident | 78.1 | Confident | 2 Ų | 2 | 49.5 Ų | 49.5 | 1% | 0.01 | 26% | 0.26 | C | S | . | . | trans | -106.6 | 117 | 171.1 | -175.9 | 66.3 | 0 | 0 | 0 | 109.3 | D80 V81 S84 I104 Y108 F135 M139 | D80-L86 WeakPolarHBondContact CA-O 3.43Å; V81-L86 PolarHBondContact N-O 3.42Å; S84-L86 PolarHBondContact OG-N 3.09Å; L86-I104 HydrophobicContact CD2-CG2 3.78Å; L86-Y108 HydrophobicContact CB-CD1 3.67Å; L86-Y108 HydrophobicContact CB-CD2 4.09Å; L86-Y108 HydrophobicContact CB-CE1 3.89Å; L86-Y108 HydrophobicContact CB-CE2 4.31Å; L86-Y108 HydrophobicContact CB-CG 3.75Å; L86-Y108 HydrophobicContact CD1-CD2 4.01Å; L86-Y108 HydrophobicContact CD1-CE2 3.98Å; L86-Y108 HydrophobicContact CD2-CD2 4.29Å; L86-Y108 HydrophobicContact CD2-CG 4.23Å; L86-Y108 HydrophobicContact CG-CD2 4.36Å; L86-Y108 HydrophobicContact CG-CG 4.38Å; L86-F135 HydrophobicContact CD2-CD2 4.19Å; L86-M139 HydrophobicContact CD1-SD 4.27Å | ||
| 87 | L | 83 | Confident | 79.6 | Confident | 91 Ų | 91 | 48.5 Ų | 48.5 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 133.2 | 176.8 | -64.7 | 178.2 | 0 | 0 | 0 | 110.9 | F78 T79 D80 | F78-L87 HydrophobicContact CB-CB 4.16Å; F78-L87 HydrophobicContact CB-CD1 4.32Å; F78-L87 HydrophobicContact CB-CD2 4.39Å; F78-L87 HydrophobicContact CD1-CB 3.95Å; F78-L87 HydrophobicContact CG-CB 4.39Å; T79-L87 WeakPolarHBondContact O-CA 3.49Å; D80-L87 HydrophobicContact CB-CD2 4.13Å |
| 88 | L | 83.8 | Confident | 80.5 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 154.5 | 166.4 | -67.6 | -175.5 | 0 | 0 | 0 | 110.6 | F78 T79 V81 L92 H93 L96 I104 A134 | F78-L88 WeakPolarHBondContact CA-O 3.32Å; F78-L88 VanDerWaalsContact CD1-C 3.42Å; F78-L88 WeakPolarHBondContact CD1-O 3.14Å; T79-L88 PolarHBondContact N-O 2.92Å; T79-L88 PolarHBondContact O-N 2.97Å; V81-L88 HydrophobicContact CG2-CB 4.17Å; V81-L88 HydrophobicContact CG2-CD1 3.44Å; V81-L88 VanDerWaalsContact CG2-CD1 3.44Å; V81-L88 HydrophobicContact CG2-CG 3.52Å; L88-L92 HydrophobicContact CD2-CD2 4.47Å; L88-H93 HydrophobicContact CB-CB 4.39Å; L88-L96 HydrophobicContact CD1-CD1 4.02Å; L88-I104 HydrophobicContact CD1-CD1 4.37Å; L88-A134 HydrophobicContact CD1-CB 4.15Å; L88-A134 VanDerWaalsContact CD2-O 3.25Å; L88-A134 WeakPolarHBondContact CD2-O 3.14Å |
| 89 | Y | 79.8 | Confident | 81.3 | Confident | 29 Ų | 29 | 46.6 Ų | 46.6 | 11% | 0.114 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 134.2 | 172.5 | -175.8 | -117.9 | 0 | 0 | 0 | 110.9 | E91 L92 H93 R1095 S1096 | Y89-E91 HydrophobicContact CD1-CB 3.88Å; Y89-E91 HydrophobicContact CD1-CG 4.31Å; Y89-E91 HydrophobicContact CE1-CB 3.7Å; Y89-E91 HydrophobicContact CE1-CG 3.66Å; Y89-E91 PolarHBondContact O-N 2.84Å; Y89-L92 WeakPolarHBondContact O-CB 3.35Å; Y89-L92 PolarHBondContact O-N 2.84Å; Y89-H93 PolarHBondContact O-N 3.29Å; Y89-R1095 PolarHBondContact OH-N 2.74Å; Y89-R1095 PolarHBondContact OH-O 3.01Å; Y89-S1096 VanDerWaalsContact CG-CB 3.47Å |
| 90 | R | 76.8 | Confident | 81.9 | Confident | 76 Ų | 76 | 45.3 Ų | 45.3 | 29% | 0.287 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -53 | -47.7 | -171.7 | -176.1 | 169.9 | 177.9 | -179.3 | -0.8 | 113.8 | E77 L92 H93 D94 D353 | E77-R90 WeakPolarHBondContact O-CB 3.32Å; E77-R90 PolarHBondContact O-N 3.44Å; E77-R90 IonicContact OE1-NH1 3.81Å; E77-R90 PolarHBondContact OE1-NH1 3.3Å; E77-R90 WeakPolarHBondContact OE2-CD 3.44Å; E77-R90 IonicContact OE2-CZ 3.07Å; E77-R90 IonicContact OE2-NE 3.09Å; E77-R90 IonicContact OE2-NH1 3.25Å; E77-R90 PolarHBondContact OE2-NH1 2.93Å; R90-L92 PolarHBondContact O-N 3.02Å; R90-H93 PolarHBondContact O-N 2.85Å; R90-H93 VanDerWaalsContact O-N 3.14Å; R90-D94 WeakPolarHBondContact CG-OD2 3.32Å; R90-D94 IonicContact NE-OD2 2.73Å; R90-D94 PolarHBondContact NE-OD2 3.27Å; R90-D94 WeakPolarHBondContact O-CB 3.36Å; R90-D94 PolarHBondContact O-N 3.49Å; R90-D353 IonicContact NH2-OD1 3.33Å; R90-D353 IonicContact NH2-OD2 3.19Å; R90-D353 PolarHBondContact NH2-OD2 2.91Å; R90-D353 VanDerWaalsContact NH2-OD2 3.08Å |
| 91 | E | 77.6 | Confident | 82.5 | Confident | 88 Ų | 88 | 43.7 Ų | 43.7 | 41% | 0.411 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60 | -32.1 | 178.6 | -60.9 | -174.2 | 171.7 | 0 | 0 | 113.4 | Y89 Q95 | Y89-E91 HydrophobicContact CD1-CB 3.88Å; Y89-E91 HydrophobicContact CD1-CG 4.31Å; Y89-E91 HydrophobicContact CE1-CB 3.7Å; Y89-E91 HydrophobicContact CE1-CG 3.66Å; Y89-E91 PolarHBondContact O-N 2.84Å; E91-Q95 VanDerWaalsContact O-CG 3.28Å; E91-Q95 WeakPolarHBondContact O-CG 3.32Å; E91-Q95 PolarHBondContact O-N 3.34Å; E91-Q95 PolarHBondContact O-NE2 2.73Å |
| 92 | L | 82.3 | Confident | 83.1 | Confident | 11 Ų | 11 | 47 Ų | 47 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -77.7 | -41.8 | 176.8 | 179.9 | 66.6 | 0 | 0 | 0 | 110.8 | L88 Y89 R90 L96 A134 W167 | L88-L92 HydrophobicContact CD2-CD2 4.47Å; Y89-L92 WeakPolarHBondContact O-CB 3.35Å; Y89-L92 PolarHBondContact O-N 2.84Å; R90-L92 PolarHBondContact O-N 3.02Å; L92-L96 WeakPolarHBondContact O-CD1 3.27Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; L92-A134 HydrophobicContact CD2-CB 4.22Å; L92-W167 HydrophobicContact CD1-CB 4.46Å; L92-W167 HydrophobicContact CD1-CE3 3.87Å |
| 93 | H | 85.4 | Confident | 83.9 | Confident | 24 Ų | 24 | 44.6 Ų | 44.6 | 11% | 0.111 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 175.5 | 169.5 | -98.7 | 0 | 0 | 0 | 112.1 | L88 Y89 R90 Q95 L96 K101 | L88-H93 HydrophobicContact CB-CB 4.39Å; Y89-H93 PolarHBondContact O-N 3.29Å; R90-H93 PolarHBondContact O-N 2.85Å; R90-H93 VanDerWaalsContact O-N 3.14Å; H93-Q95 PolarHBondContact O-N 2.76Å; H93-L96 PolarHBondContact O-N 3.46Å; H93-K101 PolarHBondContact CE1-NZ 3.4Å; H93-K101 PolarHBondContact NE2-NZ 2.68Å; H93-K101 WeakPolarHBondContact O-CE 3.5Å; H93-K101 PolarHBondContact O-NZ 2.93Å |
| 94 | D | 83.3 | Confident | 84.7 | Confident | 59 Ų | 59 | 37.4 Ų | 37.4 | 32% | 0.316 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -77.5 | -22.4 | -172.8 | -66.1 | -14.1 | 0 | 0 | 0 | 112.5 | R90 C356 | R90-D94 WeakPolarHBondContact CG-OD2 3.32Å; R90-D94 IonicContact NE-OD2 2.73Å; R90-D94 PolarHBondContact NE-OD2 3.27Å; R90-D94 WeakPolarHBondContact O-CB 3.36Å; R90-D94 PolarHBondContact O-N 3.49Å; D94-C356 WeakPolarHBondContact O-CB 3.48Å |
| 95 | Q | 85.8 | Confident | 85.5 | Confident | 94 Ų | 94 | 37 Ų | 37 | 44% | 0.439 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -78.5 | -14.6 | 171.2 | -73.6 | 175.3 | 68.7 | 0 | 0 | 114.5 | E91 H93 W167 C356 | E91-Q95 VanDerWaalsContact O-CG 3.28Å; E91-Q95 WeakPolarHBondContact O-CG 3.32Å; E91-Q95 PolarHBondContact O-N 3.34Å; E91-Q95 PolarHBondContact O-NE2 2.73Å; H93-Q95 PolarHBondContact O-N 2.76Å; Q95-W167 HydrophobicContact CB-CZ3 3.89Å; Q95-C356 PolarHBondContact O-SG 2.72Å |
| 96 | L | 87.6 | Confident | 86.4 | Confident | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.016 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -83.5 | 137 | -178.9 | -72.6 | 162.4 | 0 | 0 | 0 | 111.7 | L88 L92 H93 Q100 K101 I104 V130 A134 | L88-L96 HydrophobicContact CD1-CD1 4.02Å; L92-L96 WeakPolarHBondContact O-CD1 3.27Å; L92-L96 VanDerWaalsContact O-CG 3.31Å; L92-L96 WeakPolarHBondContact O-CG 3.47Å; H93-L96 PolarHBondContact O-N 3.46Å; L96-Q100 HydrophobicContact CB-CB 4.4Å; L96-Q100 HydrophobicContact CD2-CB 3.99Å; L96-K101 HydrophobicContact CB-CG 4.04Å; L96-K101 WeakPolarHBondContact O-CE 3.11Å; L96-I104 HydrophobicContact CD1-CD1 3.63Å; L96-I104 HydrophobicContact CD2-CD1 4.31Å; L96-V130 HydrophobicContact CD2-CG1 3.79Å; L96-A134 HydrophobicContact CD1-CB 3.94Å; L96-A134 HydrophobicContact CD2-CB 4.41Å |
| 97 | F | 87.5 | Confident | 86.9 | Confident | 29 Ų | 29 | 36.2 Ų | 36.2 | 13% | 0.127 | 17% | 0.169 | C | C | . | . | trans | -69.7 | 152.8 | 171.8 | -56.8 | -46.7 | 0 | 0 | 0 | 111.3 | H99 Q100 K101 C356 M358 I573 | F97-H99 VanDerWaalsContact C-N 3.3Å; F97-H99 AromaticContact CD2-CE1 3.76Å; F97-H99 PolarHBondContact O-N 2.71Å; F97-Q100 HydrophobicContact CB-CG 4.16Å; F97-Q100 HydrophobicContact CD2-CG 4.5Å; F97-Q100 VanDerWaalsContact N-OE1 3.08Å; F97-Q100 WeakPolarHBondContact O-CA 3.24Å; F97-Q100 VanDerWaalsContact O-CB 3.24Å; F97-Q100 WeakPolarHBondContact O-CB 3.42Å; F97-Q100 PolarHBondContact O-N 2.76Å; F97-K101 PolarHBondContact O-N 3.1Å; F97-K101 VanDerWaalsContact O-N 3.08Å; F97-C356 WeakPolarHBondContact CD1-O 3.2Å; F97-C356 WeakPolarHBondContact CE1-SG 3.31Å; F97-M358 HydrophobicContact CB-CB 4.45Å; F97-M358 HydrophobicContact CD1-CB 3.72Å; F97-M358 HydrophobicContact CD1-CG 4.34Å; F97-M358 HydrophobicContact CD2-CB 4.24Å; F97-M358 HydrophobicContact CD2-CG 4.03Å; F97-M358 HydrophobicContact CE1-CB 3.96Å; F97-M358 HydrophobicContact CE1-CG 4.34Å; F97-M358 HydrophobicContact CE2-CB 4.45Å; F97-M358 HydrophobicContact CE2-CG 4.03Å; F97-M358 HydrophobicContact CG-CB 3.89Å; F97-M358 HydrophobicContact CG-CG 4.2Å; F97-M358 HydrophobicContact CZ-CB 4.32Å; F97-M358 HydrophobicContact CZ-CG 4.19Å; F97-I573 HydrophobicContact CD2-CD1 4.44Å; F97-I573 HydrophobicContact CE2-CD1 3.98Å; F97-I573 HydrophobicContact CE2-CG2 4.48Å | ||
| 98 | E | 86.8 | Confident | 87.3 | Confident | 116 Ų | 116 | 33.5 Ų | 33.5 | 54% | 0.542 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -58 | -37.9 | -174.8 | -162.9 | 55.9 | -143.2 | 0 | 0 | 113.6 | Q100 K101 E102 | E98-Q100 VanDerWaalsContact C-N 3.26Å; E98-Q100 PolarHBondContact O-N 2.85Å; E98-K101 WeakPolarHBondContact O-CB 3.23Å; E98-K101 PolarHBondContact O-N 3.31Å; E98-E102 PolarHBondContact O-N 3.46Å |
| 99 | H | 88.3 | Confident | 87.7 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.037 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.3 | -28.6 | 173 | 71.6 | -81.8 | 0 | 0 | 0 | 112.4 | F97 G103 L126 R328 V333 | F97-H99 VanDerWaalsContact C-N 3.3Å; F97-H99 AromaticContact CD2-CE1 3.76Å; F97-H99 PolarHBondContact O-N 2.71Å; H99-G103 PolarHBondContact O-N 2.71Å; H99-L126 PolarHBondContact NE2-O 3.27Å; H99-R328 PolarHBondContact O-NH1 2.9Å; H99-R328 PolarHBondContact O-NH2 2.72Å; H99-V333 HydrophobicContact CB-CG1 4.25Å; H99-V333 HydrophobicContact CB-CG2 4.12Å |
| 100 | Q | 91.4 | Very high | 88.2 | Confident | 10 Ų | 10 | 38.4 Ų | 38.4 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -38.1 | 174.5 | -60.4 | 173.8 | -23.5 | 0 | 0 | 110.5 | L96 F97 E98 G103 I104 L126 Q131 | L96-Q100 HydrophobicContact CB-CB 4.4Å; L96-Q100 HydrophobicContact CD2-CB 3.99Å; F97-Q100 HydrophobicContact CB-CG 4.16Å; F97-Q100 HydrophobicContact CD2-CG 4.5Å; F97-Q100 VanDerWaalsContact N-OE1 3.08Å; F97-Q100 WeakPolarHBondContact O-CA 3.24Å; F97-Q100 VanDerWaalsContact O-CB 3.24Å; F97-Q100 WeakPolarHBondContact O-CB 3.42Å; F97-Q100 PolarHBondContact O-N 2.76Å; E98-Q100 VanDerWaalsContact C-N 3.26Å; E98-Q100 PolarHBondContact O-N 2.85Å; Q100-G103 PolarHBondContact O-N 3.16Å; Q100-I104 WeakPolarHBondContact O-CD1 3.43Å; Q100-I104 WeakPolarHBondContact O-CG1 3.38Å; Q100-I104 PolarHBondContact O-N 3.47Å; Q100-L126 PolarHBondContact NE2-O 2.6Å; Q100-Q131 HydrophobicContact CB-CG 3.72Å; Q100-Q131 HydrophobicContact CG-CG 3.91Å |
| 101 | K | 90.6 | Very high | 88.8 | Confident | 19 Ų | 19 | 38.3 Ų | 38.3 | 8% | 0.083 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.8 | -48.6 | 172.6 | -54.7 | -174.8 | -171.7 | -163.8 | 0 | 111.9 | V81 C82 H93 L96 F97 E98 G103 I104 A105 | V81-K101 HydrophobicContact CG1-CB 3.93Å; V81-K101 WeakPolarHBondContact CG1-O 3.1Å; C82-K101 VanDerWaalsContact SG-CB 3.52Å; H93-K101 PolarHBondContact CE1-NZ 3.4Å; H93-K101 PolarHBondContact NE2-NZ 2.68Å; H93-K101 WeakPolarHBondContact O-CE 3.5Å; H93-K101 PolarHBondContact O-NZ 2.93Å; L96-K101 HydrophobicContact CB-CG 4.04Å; L96-K101 WeakPolarHBondContact O-CE 3.11Å; F97-K101 PolarHBondContact O-N 3.1Å; F97-K101 VanDerWaalsContact O-N 3.08Å; E98-K101 WeakPolarHBondContact O-CB 3.23Å; E98-K101 PolarHBondContact O-N 3.31Å; K101-G103 PolarHBondContact O-N 3.44Å; K101-I104 PolarHBondContact O-N 3.19Å; K101-A105 WeakPolarHBondContact O-CB 3.48Å; K101-A105 PolarHBondContact O-N 3.07Å |
| 102 | E | 90.6 | Very high | 89.4 | Confident | 70 Ų | 70 | 40.7 Ų | 40.7 | 33% | 0.327 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -52 | -39.6 | 170.6 | -75 | -175.5 | 160.9 | 0 | 0 | 112.3 | E98 F106 R328 K336 | E98-E102 PolarHBondContact O-N 3.46Å; E102-F106 WeakPolarHBondContact O-CB 3.21Å; E102-F106 PolarHBondContact O-N 3.46Å; E102-R328 VanDerWaalsContact CB-NH1 3.31Å; E102-R328 IonicContact OE2-NH1 2.67Å; E102-R328 PolarHBondContact OE2-NH1 3.22Å; E102-K336 IonicContact OE1-NZ 3.98Å; E102-K336 PolarHBondContact OE1-NZ 3.22Å; E102-K336 IonicContact OE2-NZ 2.96Å; E102-K336 PolarHBondContact OE2-NZ 3.08Å |
| 103 | G | 91.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.5 | -44.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | H99 Q100 K101 F106 L107 | H99-G103 PolarHBondContact O-N 2.71Å; Q100-G103 PolarHBondContact O-N 3.16Å; K101-G103 PolarHBondContact O-N 3.44Å; G103-F106 WeakPolarHBondContact O-CB 3.11Å; G103-F106 PolarHBondContact O-N 3.48Å; G103-L107 WeakPolarHBondContact O-CG 3.34Å; G103-L107 PolarHBondContact O-N 2.88Å |
| 104 | I | 93 | Very high | 89.5 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -42.9 | 174.7 | -66.5 | 156.4 | 0 | 0 | 0 | 110.6 | V81 L86 L88 L96 Q100 K101 F106 L107 Y108 Q131 A134 F135 | V81-I104 HydrophobicContact CB-CG2 4.44Å; V81-I104 HydrophobicContact CG1-CB 4.1Å; V81-I104 HydrophobicContact CG1-CG2 4.02Å; V81-I104 HydrophobicContact CG2-CG2 4.26Å; L86-I104 HydrophobicContact CD2-CG2 3.78Å; L88-I104 HydrophobicContact CD1-CD1 4.37Å; L96-I104 HydrophobicContact CD1-CD1 3.63Å; L96-I104 HydrophobicContact CD2-CD1 4.31Å; Q100-I104 WeakPolarHBondContact O-CD1 3.43Å; Q100-I104 WeakPolarHBondContact O-CG1 3.38Å; Q100-I104 PolarHBondContact O-N 3.47Å; K101-I104 PolarHBondContact O-N 3.19Å; I104-F106 VanDerWaalsContact C-N 3.29Å; I104-F106 PolarHBondContact O-N 3Å; I104-L107 PolarHBondContact O-N 2.68Å; I104-Y108 PolarHBondContact O-N 2.98Å; I104-Q131 HydrophobicContact CG1-CB 4.3Å; I104-Q131 WeakPolarHBondContact CG1-O 3.35Å; I104-A134 HydrophobicContact CD1-CB 3.63Å; I104-A134 HydrophobicContact CG1-CB 4.43Å; I104-F135 HydrophobicContact CG1-CB 4.5Å; I104-F135 HydrophobicContact CG2-CB 4.36Å |
| 105 | A | 91.9 | Very high | 89.7 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -63.5 | -32 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | V81 C82 K101 R109 | V81-A105 HydrophobicContact CG1-CB 4.42Å; C82-A105 HydrophobicContact CB-CB 4.07Å; K101-A105 WeakPolarHBondContact O-CB 3.48Å; K101-A105 PolarHBondContact O-N 3.07Å; A105-R109 VanDerWaalsContact O-CB 3.27Å; A105-R109 WeakPolarHBondContact O-CB 3.46Å; A105-R109 PolarHBondContact O-N 2.8Å; A105-R109 VanDerWaalsContact O-N 3.08Å |
| 106 | F | 93.6 | Very high | 89.5 | Confident | 25 Ų | 25 | 43.6 Ų | 43.6 | 11% | 0.11 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.2 | -46.5 | 169.7 | 164.2 | -96.9 | 0 | 0 | 0 | 112 | E102 G103 I104 Y108 R109 L110 L326 | E102-F106 WeakPolarHBondContact O-CB 3.21Å; E102-F106 PolarHBondContact O-N 3.46Å; G103-F106 WeakPolarHBondContact O-CB 3.11Å; G103-F106 PolarHBondContact O-N 3.48Å; I104-F106 VanDerWaalsContact C-N 3.29Å; I104-F106 PolarHBondContact O-N 3Å; F106-Y108 VanDerWaalsContact C-N 3.35Å; F106-Y108 PolarHBondContact O-N 2.76Å; F106-R109 WeakPolarHBondContact O-CB 3.38Å; F106-R109 PolarHBondContact O-N 3.22Å; F106-R109 VanDerWaalsContact O-N 3.15Å; F106-L110 HydrophobicContact CD1-CD1 4.48Å; F106-L110 HydrophobicContact CE1-CD1 3.83Å; F106-L110 HydrophobicContact CE1-CG 4.38Å; F106-L110 HydrophobicContact CE2-CD2 4.2Å; F106-L110 HydrophobicContact CE2-CG 4.44Å; F106-L110 HydrophobicContact CZ-CD1 3.91Å; F106-L110 HydrophobicContact CZ-CD2 4.13Å; F106-L110 HydrophobicContact CZ-CG 4.2Å; F106-L110 PolarHBondContact O-N 2.94Å; F106-L326 HydrophobicContact CB-CD2 3.79Å; F106-L326 HydrophobicContact CD1-CB 3.71Å; F106-L326 HydrophobicContact CD1-CD2 3.66Å; F106-L326 HydrophobicContact CD1-CG 4.34Å; F106-L326 HydrophobicContact CD2-CB 4.25Å; F106-L326 HydrophobicContact CD2-CD2 4.5Å; F106-L326 HydrophobicContact CE1-CB 3.55Å; F106-L326 HydrophobicContact CE1-CD2 4.37Å; F106-L326 HydrophobicContact CE2-CB 4.11Å; F106-L326 HydrophobicContact CG-CB 4.06Å; F106-L326 HydrophobicContact CG-CD2 3.73Å; F106-L326 HydrophobicContact CG-CG 4.48Å; F106-L326 HydrophobicContact CZ-CB 3.76Å |
| 107 | L | 93.3 | Very high | 89.5 | Confident | 3 Ų | 3 | 43.7 Ų | 43.7 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 178.4 | -66.9 | 171.1 | 0 | 0 | 0 | 112.1 | G103 I104 L110 Y111 I132 F135 L253 | G103-L107 WeakPolarHBondContact O-CG 3.34Å; G103-L107 PolarHBondContact O-N 2.88Å; I104-L107 PolarHBondContact O-N 2.68Å; L107-L110 WeakPolarHBondContact O-CB 3.05Å; L107-L110 PolarHBondContact O-N 3.34Å; L107-Y111 PolarHBondContact O-N 3.48Å; L107-I132 HydrophobicContact CD1-CD1 3.47Å; L107-I132 VanDerWaalsContact CD1-CD1 3.47Å; L107-F135 HydrophobicContact CB-CD1 4.43Å; L107-F135 HydrophobicContact CB-CD2 3.71Å; L107-F135 HydrophobicContact CB-CE2 3.88Å; L107-F135 HydrophobicContact CB-CG 4.01Å; L107-F135 HydrophobicContact CB-CZ 4.31Å; L107-F135 HydrophobicContact CD1-CB 4.06Å; L107-F135 HydrophobicContact CD1-CD1 4.39Å; L107-F135 HydrophobicContact CD1-CG 4.08Å; L107-L253 HydrophobicContact CD2-CD1 3.48Å; L107-L253 VanDerWaalsContact CD2-CD1 3.48Å; L107-L253 HydrophobicContact CD2-CD2 3.74Å; L107-L253 HydrophobicContact CD2-CG 4.28Å |
| 108 | Y | 92.1 | Very high | 89.7 | Confident | 34 Ų | 34 | 42.3 Ų | 42.3 | 13% | 0.133 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.9 | -36 | 174.6 | -172.9 | -121.3 | 0 | 0 | 0 | 112.6 | S84 G85 L86 I104 F106 L110 Y111 R112 M139 L144 | S84-Y108 WeakPolarHBondContact O-CE1 3.45Å; G85-Y108 WeakPolarHBondContact O-CE1 3.12Å; G85-Y108 PolarHBondContact O-OH 3.42Å; G85-Y108 VanDerWaalsContact O-OH 3.08Å; L86-Y108 HydrophobicContact CB-CD1 3.67Å; L86-Y108 HydrophobicContact CB-CD2 4.09Å; L86-Y108 HydrophobicContact CB-CE1 3.89Å; L86-Y108 HydrophobicContact CB-CE2 4.31Å; L86-Y108 HydrophobicContact CB-CG 3.75Å; L86-Y108 HydrophobicContact CD1-CD2 4.01Å; L86-Y108 HydrophobicContact CD1-CE2 3.98Å; L86-Y108 HydrophobicContact CD2-CD2 4.29Å; L86-Y108 HydrophobicContact CD2-CG 4.23Å; L86-Y108 HydrophobicContact CG-CD2 4.36Å; L86-Y108 HydrophobicContact CG-CG 4.38Å; I104-Y108 PolarHBondContact O-N 2.98Å; F106-Y108 VanDerWaalsContact C-N 3.35Å; F106-Y108 PolarHBondContact O-N 2.76Å; Y108-L110 VanDerWaalsContact C-N 3.32Å; Y108-L110 PolarHBondContact O-N 3.17Å; Y108-Y111 HydrophobicContact CE2-CD1 4.31Å; Y108-Y111 PolarHBondContact O-N 3.31Å; Y108-R112 VanDerWaalsContact O-CB 3.32Å; Y108-R112 WeakPolarHBondContact O-CB 3.26Å; Y108-R112 PolarHBondContact O-N 2.84Å; Y108-M139 HydrophobicContact CD2-SD 3.73Å; Y108-M139 HydrophobicContact CE2-SD 3.94Å; Y108-L144 HydrophobicContact CE2-CD1 3.96Å |
| 109 | R | 91.7 | Very high | 90.1 | Very high | 126 Ų | 126 | 36.8 Ų | 36.8 | 48% | 0.475 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -62.2 | -37 | 173.4 | -172.1 | -179.7 | -52.3 | 168.2 | 6.3 | 112.4 | A105 F106 D113 | A105-R109 VanDerWaalsContact O-CB 3.27Å; A105-R109 WeakPolarHBondContact O-CB 3.46Å; A105-R109 PolarHBondContact O-N 2.8Å; A105-R109 VanDerWaalsContact O-N 3.08Å; F106-R109 WeakPolarHBondContact O-CB 3.38Å; F106-R109 PolarHBondContact O-N 3.22Å; F106-R109 VanDerWaalsContact O-N 3.15Å; R109-D113 VanDerWaalsContact CG-OD2 3.23Å; R109-D113 WeakPolarHBondContact CG-OD2 3.31Å; R109-D113 WeakPolarHBondContact O-CB 3.33Å; R109-D113 PolarHBondContact O-N 2.93Å |
| 110 | L | 91.3 | Very high | 90.3 | Very high | 7 Ų | 7 | 36.4 Ų | 36.4 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -49.5 | 173.3 | -63.8 | 176.3 | 0 | 0 | 0 | 111.1 | F106 L107 Y108 G114 R115 P323 | F106-L110 HydrophobicContact CD1-CD1 4.48Å; F106-L110 HydrophobicContact CE1-CD1 3.83Å; F106-L110 HydrophobicContact CE1-CG 4.38Å; F106-L110 HydrophobicContact CE2-CD2 4.2Å; F106-L110 HydrophobicContact CE2-CG 4.44Å; F106-L110 HydrophobicContact CZ-CD1 3.91Å; F106-L110 HydrophobicContact CZ-CD2 4.13Å; F106-L110 HydrophobicContact CZ-CG 4.2Å; F106-L110 PolarHBondContact O-N 2.94Å; L107-L110 WeakPolarHBondContact O-CB 3.05Å; L107-L110 PolarHBondContact O-N 3.34Å; Y108-L110 VanDerWaalsContact C-N 3.32Å; Y108-L110 PolarHBondContact O-N 3.17Å; L110-G114 PolarHBondContact O-N 2.84Å; L110-R115 HydrophobicContact CB-CB 4.43Å; L110-R115 HydrophobicContact CD2-CB 4.36Å; L110-R115 WeakPolarHBondContact O-CB 3.45Å; L110-R115 PolarHBondContact O-N 3.24Å; L110-P323 VanDerWaalsContact CD2-O 3.3Å; L110-P323 WeakPolarHBondContact CD2-O 3.41Å |
| 111 | Y | 90.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 35.9 Ų | 35.9 | 29% | 0.286 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -60 | -53.4 | 177.7 | -179.5 | -96.2 | 0 | 0 | 0 | 112.2 | L107 Y108 D113 G114 M139 L144 Y224 | L107-Y111 PolarHBondContact O-N 3.48Å; Y108-Y111 HydrophobicContact CE2-CD1 4.31Å; Y108-Y111 PolarHBondContact O-N 3.31Å; Y111-D113 PolarHBondContact O-N 3.31Å; Y111-G114 PolarHBondContact O-N 3.31Å; Y111-M139 HydrophobicContact CD1-CE 3.7Å; Y111-M139 HydrophobicContact CD2-CE 3.62Å; Y111-M139 HydrophobicContact CE1-CE 3.81Å; Y111-M139 HydrophobicContact CE2-CE 3.71Å; Y111-M139 HydrophobicContact CG-CE 3.61Å; Y111-L144 HydrophobicContact CE1-CB 4.35Å; Y111-L144 HydrophobicContact CE1-CD1 4Å; Y111-L144 HydrophobicContact CE1-CD2 4.29Å; Y111-L144 HydrophobicContact CE1-CG 4.46Å; Y111-L144 PolarHBondContact OH-O 3.26Å; Y111-Y224 HydrophobicContact CD2-CE2 4.16Å; Y111-Y224 WeakPolarHBondContact CD2-OH 3.48Å |
| 112 | R | 88.6 | Confident | 90.3 | Very high | 138 Ų | 138 | 35 Ų | 35 | 52% | 0.521 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65 | -36 | -176.5 | -172.2 | -156.1 | 67.8 | 177.4 | 4.1 | 112.9 | Y108 G114 | Y108-R112 VanDerWaalsContact O-CB 3.32Å; Y108-R112 WeakPolarHBondContact O-CB 3.26Å; Y108-R112 PolarHBondContact O-N 2.84Å; R112-G114 PolarHBondContact O-N 3.49Å |
| 113 | D | 87.8 | Confident | 90 | Very high | 60 Ų | 60 | 32.9 Ų | 32.9 | 32% | 0.321 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82 | 11.5 | 176 | -59.7 | 2.7 | 0 | 0 | 0 | 112.1 | R109 Y111 R115 | R109-D113 VanDerWaalsContact CG-OD2 3.23Å; R109-D113 WeakPolarHBondContact CG-OD2 3.31Å; R109-D113 WeakPolarHBondContact O-CB 3.33Å; R109-D113 PolarHBondContact O-N 2.93Å; Y111-D113 PolarHBondContact O-N 3.31Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 HydrophobicContact CB-CG 4.47Å; D113-R115 PolarHBondContact O-N 3.2Å; D113-R115 IonicContact OD2-CZ 2.83Å; D113-R115 IonicContact OD2-NH1 3.97Å; D113-R115 IonicContact OD2-NH2 3.24Å; D113-R115 PolarHBondContact OD2-NH2 3Å |
| 114 | G | 82.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 33.5 Ų | 33.5 | 63% | 0.629 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 73.1 | 15.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.7 | L110 Y111 R112 K116 | L110-G114 PolarHBondContact O-N 2.84Å; Y111-G114 PolarHBondContact O-N 3.31Å; R112-G114 PolarHBondContact O-N 3.49Å; G114-K116 PolarHBondContact O-N 3.38Å |
| 115 | R | 86.1 | Confident | 89 | Confident | 55 Ų | 55 | 34.4 Ų | 34.4 | 21% | 0.208 | 17% | 0.169 | C | C | . | . | trans | -84.7 | 117.1 | -173.5 | -63.1 | -178.6 | -167.8 | 131.5 | 27.4 | 111.1 | L110 D113 G117 P323 Y324 | L110-R115 HydrophobicContact CB-CB 4.43Å; L110-R115 HydrophobicContact CD2-CB 4.36Å; L110-R115 WeakPolarHBondContact O-CB 3.45Å; L110-R115 PolarHBondContact O-N 3.24Å; D113-R115 VanDerWaalsContact C-N 3.34Å; D113-R115 HydrophobicContact CB-CG 4.47Å; D113-R115 PolarHBondContact O-N 3.2Å; D113-R115 IonicContact OD2-CZ 2.83Å; D113-R115 IonicContact OD2-NH1 3.97Å; D113-R115 IonicContact OD2-NH2 3.24Å; D113-R115 PolarHBondContact OD2-NH2 3Å; R115-G117 PolarHBondContact O-N 3.37Å; R115-P323 PolarHBondContact NH1-O 2.97Å; R115-Y324 HydrophobicContact CB-CD1 4.39Å; R115-Y324 HydrophobicContact CB-CE1 3.84Å; R115-Y324 HydrophobicContact CG-CE1 3.79Å | ||
| 116 | K | 83.4 | Confident | 88.7 | Confident | 73 Ų | 73 | 34.2 Ų | 34.2 | 32% | 0.317 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -56.8 | -4.2 | -178.7 | -60.3 | 172.6 | -178.5 | 175 | 0 | 115.8 | G114 N251 R252 E716 | G114-K116 PolarHBondContact O-N 3.38Å; K116-N251 CarbonylContact O-C 3.59Å; K116-N251 WeakPolarHBondContact O-CA 3.27Å; K116-R252 PolarHBondContact O-N 3.28Å; K116-E716 IonicContact NZ-OE1 2.98Å; K116-E716 PolarHBondContact NZ-OE1 3.44Å |
| 117 | G | 87.4 | Confident | 88.4 | Confident | 5 Ų | 5 | 34 Ų | 34 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 174.7 | -173.9 | 177 | 0 | 0 | 0 | 0 | 0 | 114.9 | R115 R252 | R115-G117 PolarHBondContact O-N 3.37Å; G117-R252 CarbonylContact C-O 3.6Å; G117-R252 WeakPolarHBondContact CA-O 3.03Å |
| 118 | G | 91.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 178.7 | -177.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R252 L254 Y324 | G118-R252 PolarHBondContact N-O 2.86Å; G118-R252 VanDerWaalsContact N-O 3.14Å; G118-L254 PolarHBondContact O-N 3.04Å; G118-Y324 CarbonylContact C-O 3.58Å; G118-Y324 VanDerWaalsContact CA-O 3.3Å; G118-Y324 WeakPolarHBondContact CA-O 3.27Å |
| 119 | I | 93.6 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 122.6 | -176.3 | -46.8 | -171.6 | 0 | 0 | 0 | 110.6 | A121 L254 T256 L270 F271 A274 Y324 F325 L326 | I119-A121 HydrophobicContact CG2-CB 4.2Å; I119-L254 CarbonylContact C-O 2.99Å; I119-L254 WeakPolarHBondContact CA-O 3.45Å; I119-L254 HydrophobicContact CB-CB 4.43Å; I119-L254 HydrophobicContact CD1-CD1 4.23Å; I119-L254 HydrophobicContact CG1-CB 4.16Å; I119-L254 HydrophobicContact CG1-CD1 4.24Å; I119-L254 HydrophobicContact CG2-CB 4.17Å; I119-T256 HydrophobicContact CG2-CG2 4.13Å; I119-L270 HydrophobicContact CD1-CB 3.93Å; I119-F271 HydrophobicContact CD1-CD1 3.72Å; I119-F271 HydrophobicContact CD1-CD2 4.39Å; I119-F271 HydrophobicContact CD1-CE1 3.51Å; I119-F271 HydrophobicContact CD1-CE2 4.23Å; I119-F271 HydrophobicContact CD1-CG 4.14Å; I119-F271 HydrophobicContact CD1-CZ 3.77Å; I119-F271 HydrophobicContact CG1-CD1 4.2Å; I119-F271 HydrophobicContact CG1-CE1 3.87Å; I119-F271 HydrophobicContact CG1-CZ 4.46Å; I119-A274 HydrophobicContact CG1-CB 4.48Å; I119-Y324 PolarHBondContact N-O 3.36Å; I119-F325 HydrophobicContact CB-CD2 4.04Å; I119-F325 HydrophobicContact CG2-CD2 4.25Å; I119-F325 HydrophobicContact CG2-CE2 4.4Å; I119-L326 PolarHBondContact O-N 2.9Å |
| 120 | L | 93.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 100.6 | 168.5 | -175.8 | 64.6 | 0 | 0 | 0 | 109.2 | K128 Q131 I132 L254 L255 T256 L326 | L120-K128 HydrophobicContact CD2-CB 4.16Å; L120-K128 HydrophobicContact CD2-CD 4.24Å; L120-K128 HydrophobicContact CD2-CG 3.92Å; L120-K128 HydrophobicContact CG-CD 4Å; L120-K128 HydrophobicContact CG-CG 4.08Å; L120-K128 WeakPolarHBondContact O-CD 3.23Å; L120-Q131 HydrophobicContact CD2-CB 4.4Å; L120-I132 HydrophobicContact CD2-CD1 4.05Å; L120-L254 PolarHBondContact N-O 3.08Å; L120-L255 HydrophobicContact CB-CD2 4.11Å; L120-L255 HydrophobicContact CD2-CD2 4.35Å; L120-T256 PolarHBondContact O-N 3.28Å; L120-T256 VanDerWaalsContact O-N 3.16Å; L120-L326 HydrophobicContact CD1-CB 4.3Å; L120-L326 HydrophobicContact CD1-CD2 3.95Å; L120-L326 HydrophobicContact CD1-CG 4.21Å |
| 121 | A | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -110.9 | 21.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I119 T256 P259 F325 L326 R327 | I119-A121 HydrophobicContact CG2-CB 4.2Å; A121-T256 WeakPolarHBondContact CA-O 3.45Å; A121-T256 HydrophobicContact CB-CG2 4.04Å; A121-P259 HydrophobicContact CB-CB 3.99Å; A121-P259 HydrophobicContact CB-CG 4Å; A121-F325 HydrophobicContact CB-CD2 4.38Å; A121-F325 HydrophobicContact CB-CE2 3.54Å; A121-F325 HydrophobicContact CB-CZ 3.74Å; A121-L326 WeakPolarHBondContact CA-O 3.47Å; A121-L326 PolarHBondContact N-O 3.2Å; A121-R327 HydrophobicContact CB-CB 4.05Å; A121-R327 HydrophobicContact CB-CG 4.49Å; A121-R327 WeakPolarHBondContact O-CD 3.31Å; A121-R327 VanDerWaalsContact O-CG 3.28Å; A121-R327 WeakPolarHBondContact O-CG 3.19Å | ||
| 122 | D | 90 | Very high | 88.6 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | trans | -45.5 | 142.8 | 170.2 | -82.2 | -8.7 | 0 | 0 | 0 | 112.9 | L126 K128 Q131 R328 | D122-L126 HydrophobicContact CB-CB 4.34Å; D122-L126 HydrophobicContact CB-CD1 4.19Å; D122-K128 HydrophobicContact CB-CD 4.15Å; D122-K128 HydrophobicContact CB-CG 3.85Å; D122-K128 PolarHBondContact O-NZ 3.2Å; D122-Q131 PolarHBondContact OD2-NE2 2.77Å; D122-R328 IonicContact OD1-CZ 2.64Å; D122-R328 IonicContact OD1-NE 3.66Å; D122-R328 PolarHBondContact OD1-NE 3.2Å; D122-R328 IonicContact OD1-NH2 2.69Å; D122-R328 PolarHBondContact OD1-NH2 3.07Å; D122-R328 VanDerWaalsContact OD1-NH2 3.16Å; D122-R328 IonicContact OD2-CZ 2.9Å; D122-R328 IonicContact OD2-NE 3.89Å; D122-R328 IonicContact OD2-NH2 2.74Å; D122-R328 PolarHBondContact OD2-NH2 3Å | ||
| 123 | D | 85.5 | Confident | 88.8 | Confident | 25 Ų | 25 | 19 Ų | 19 | 13% | 0.134 | 12% | 0.12 | C | C | . | . | trans | -51.7 | 152.8 | 174.5 | -85.6 | 7.4 | 0 | 0 | 0 | 113.8 | G125 L126 R327 R328 T329 K330 | D123-G125 PolarHBondContact O-N 2.9Å; D123-L126 HydrophobicContact CB-CD1 3.97Å; D123-L126 HydrophobicContact CB-CG 4.23Å; D123-L126 PolarHBondContact O-N 3.19Å; D123-R327 IonicContact OD1-CZ 3.6Å; D123-R327 IonicContact OD1-NE 3.37Å; D123-R327 IonicContact OD1-NH2 3.69Å; D123-R327 PolarHBondContact OD1-NH2 3.19Å; D123-R328 PolarHBondContact N-O 2.96Å; D123-R328 VanDerWaalsContact N-O 3.13Å; D123-T329 WeakPolarHBondContact OD2-CA 3.36Å; D123-T329 WeakPolarHBondContact OD2-CB 3.49Å; D123-K330 HydrophobicContact CB-CG 3.98Å; D123-K330 PolarHBondContact OD2-N 2.85Å | ||
| 124 | M | 84.6 | Confident | 89 | Confident | 13 Ų | 13 | 16.2 Ų | 16.2 | 6% | 0.064 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | 119.2 | -173.9 | -53.3 | -174.6 | 73.1 | 0 | 0 | 111.4 | E229 G257 K330 Q565 D568 R569 | M124-E229 WeakPolarHBondContact CE-OE1 3.23Å; M124-G257 VanDerWaalsContact CG-CA 3.46Å; M124-K330 WeakPolarHBondContact O-CE 3.45Å; M124-K330 PolarHBondContact O-NZ 3.36Å; M124-Q565 HydrophobicContact CE-CG 3.99Å; M124-Q565 HydrophobicContact SD-CB 4.35Å; M124-Q565 HydrophobicContact SD-CG 3.52Å; M124-Q565 VanDerWaalsContact SD-CG 3.52Å; M124-D568 HydrophobicContact CB-CB 4.03Å; M124-D568 WeakPolarHBondContact CB-OD2 3.37Å; M124-R569 VanDerWaalsContact CE-NH2 3.31Å |
| 125 | G | 79.1 | Confident | 89.5 | Confident | 19 Ų | 19 | 13.4 Ų | 13.4 | 20% | 0.196 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 111 | -13.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | D123 G127 I573 | D123-G125 PolarHBondContact O-N 2.9Å; G125-G127 PolarHBondContact O-N 2.99Å; G125-G127 VanDerWaalsContact O-N 3.15Å; G125-I573 VanDerWaalsContact O-CD1 3.28Å; G125-I573 WeakPolarHBondContact O-CD1 3.46Å; G125-I573 WeakPolarHBondContact O-CG1 3.3Å |
| 126 | L | 84.6 | Confident | 89.8 | Confident | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.01 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -69.7 | -4.8 | 176.4 | -67.5 | -177.4 | 0 | 0 | 0 | 114.7 | H99 Q100 D122 D123 R328 K330 V333 | H99-L126 PolarHBondContact NE2-O 3.27Å; Q100-L126 PolarHBondContact NE2-O 2.6Å; D122-L126 HydrophobicContact CB-CB 4.34Å; D122-L126 HydrophobicContact CB-CD1 4.19Å; D123-L126 HydrophobicContact CB-CD1 3.97Å; D123-L126 HydrophobicContact CB-CG 4.23Å; D123-L126 PolarHBondContact O-N 3.19Å; L126-R328 HydrophobicContact CD1-CB 4.46Å; L126-R328 WeakPolarHBondContact CD1-O 3.31Å; L126-K330 HydrophobicContact CD2-CG 4.3Å; L126-V333 HydrophobicContact CD1-CG2 4.16Å; L126-V333 HydrophobicContact CD2-CG2 4.29Å |
| 127 | G | 87.2 | Confident | 90.1 | Very high | 20 Ų | 20 | 7.5 Ų | 7.5 | 21% | 0.206 | 5% | 0.051 | C | C | . | . | trans | 93.8 | 33.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | G125 T129 V130 Q131 | G125-G127 PolarHBondContact O-N 2.99Å; G125-G127 VanDerWaalsContact O-N 3.15Å; G127-T129 VanDerWaalsContact C-N 3.26Å; G127-T129 PolarHBondContact O-N 3.47Å; G127-V130 PolarHBondContact O-N 3.49Å; G127-Q131 PolarHBondContact O-N 3.29Å; G127-Q131 VanDerWaalsContact O-N 3.17Å | ||
| 128 | K | 91.4 | Very high | 90 | Very high | 20 Ų | 20 | 7.3 Ų | 7.3 | 9% | 0.087 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -46.1 | -45.6 | 176.8 | -71.4 | -166.7 | -70.9 | -95.3 | 0 | 113.7 | L120 D122 V130 Q131 I132 L255 T256 | L120-K128 HydrophobicContact CD2-CB 4.16Å; L120-K128 HydrophobicContact CD2-CD 4.24Å; L120-K128 HydrophobicContact CD2-CG 3.92Å; L120-K128 HydrophobicContact CG-CD 4Å; L120-K128 HydrophobicContact CG-CG 4.08Å; L120-K128 WeakPolarHBondContact O-CD 3.23Å; D122-K128 HydrophobicContact CB-CD 4.15Å; D122-K128 HydrophobicContact CB-CG 3.85Å; D122-K128 PolarHBondContact O-NZ 3.2Å; K128-V130 VanDerWaalsContact C-N 3.32Å; K128-V130 PolarHBondContact O-N 3.36Å; K128-Q131 WeakPolarHBondContact O-CB 3.45Å; K128-Q131 PolarHBondContact O-N 2.98Å; K128-Q131 VanDerWaalsContact O-N 3.16Å; K128-I132 WeakPolarHBondContact O-CG1 3.44Å; K128-I132 PolarHBondContact O-N 2.75Å; K128-L255 HydrophobicContact CD-CB 4.48Å; K128-T256 WeakPolarHBondContact CE-O 3.43Å; K128-T256 PolarHBondContact NZ-O 3.37Å |
| 129 | T | 91.9 | Very high | 89.9 | Confident | 33 Ų | 33 | 7.3 Ų | 7.3 | 20% | 0.202 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -52.8 | -47.5 | 177 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | G127 I132 I133 W160 E163 | G127-T129 VanDerWaalsContact C-N 3.26Å; G127-T129 PolarHBondContact O-N 3.47Å; T129-I132 PolarHBondContact O-N 2.74Å; T129-I133 HydrophobicContact CG2-CD1 3.88Å; T129-I133 VanDerWaalsContact O-CG1 3.25Å; T129-I133 WeakPolarHBondContact O-CG1 3.32Å; T129-I133 PolarHBondContact O-N 3.24Å; T129-W160 HydrophobicContact CG2-CD2 3.72Å; T129-W160 HydrophobicContact CG2-CE3 3.77Å; T129-W160 HydrophobicContact CG2-CG 4.35Å; T129-W160 HydrophobicContact CG2-CH2 4.09Å; T129-W160 HydrophobicContact CG2-CZ2 4.02Å; T129-W160 HydrophobicContact CG2-CZ3 3.96Å; T129-E163 HydrophobicContact CG2-CB 4.34Å; T129-E163 HydrophobicContact CG2-CG 4.38Å |
| 130 | V | 91.8 | Very high | 89.6 | Confident | 14 Ų | 14 | 8.1 Ų | 8.1 | 9% | 0.085 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | -179.8 | -169 | 0 | 0 | 0 | 0 | 111.3 | L96 G127 K128 I132 I133 A134 W167 | L96-V130 HydrophobicContact CD2-CG1 3.79Å; G127-V130 PolarHBondContact O-N 3.49Å; K128-V130 VanDerWaalsContact C-N 3.32Å; K128-V130 PolarHBondContact O-N 3.36Å; V130-I132 VanDerWaalsContact C-N 3.29Å; V130-I132 PolarHBondContact O-N 3.09Å; V130-I133 PolarHBondContact O-N 2.91Å; V130-A134 WeakPolarHBondContact O-CB 3.1Å; V130-A134 PolarHBondContact O-N 2.88Å; V130-W167 HydrophobicContact CB-CZ2 4.46Å; V130-W167 HydrophobicContact CG1-CD2 3.81Å; V130-W167 HydrophobicContact CG1-CE3 4.17Å; V130-W167 HydrophobicContact CG1-CG 4.32Å; V130-W167 HydrophobicContact CG1-CH2 4.04Å; V130-W167 HydrophobicContact CG1-CZ2 3.68Å; V130-W167 HydrophobicContact CG1-CZ3 4.28Å; V130-W167 HydrophobicContact CG2-CZ2 3.88Å |
| 131 | Q | 93.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 9.2 Ų | 9.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.7 | -42 | 173.2 | -65.4 | 176 | 53.6 | 0 | 0 | 111.5 | Q100 I104 L120 D122 G127 K128 F135 | Q100-Q131 HydrophobicContact CB-CG 3.72Å; Q100-Q131 HydrophobicContact CG-CG 3.91Å; I104-Q131 HydrophobicContact CG1-CB 4.3Å; I104-Q131 WeakPolarHBondContact CG1-O 3.35Å; L120-Q131 HydrophobicContact CD2-CB 4.4Å; D122-Q131 PolarHBondContact OD2-NE2 2.77Å; G127-Q131 PolarHBondContact O-N 3.29Å; G127-Q131 VanDerWaalsContact O-N 3.17Å; K128-Q131 WeakPolarHBondContact O-CB 3.45Å; K128-Q131 PolarHBondContact O-N 2.98Å; K128-Q131 VanDerWaalsContact O-N 3.16Å; Q131-F135 WeakPolarHBondContact O-CB 3.41Å; Q131-F135 PolarHBondContact O-N 3.23Å |
| 132 | I | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -70.8 | -41.6 | 177.6 | -58.5 | -41 | 0 | 0 | 0 | 111.8 | L107 L120 K128 T129 V130 A134 F135 L136 W160 I226 L253 L255 | L107-I132 HydrophobicContact CD1-CD1 3.47Å; L107-I132 VanDerWaalsContact CD1-CD1 3.47Å; L120-I132 HydrophobicContact CD2-CD1 4.05Å; K128-I132 WeakPolarHBondContact O-CG1 3.44Å; K128-I132 PolarHBondContact O-N 2.75Å; T129-I132 PolarHBondContact O-N 2.74Å; V130-I132 VanDerWaalsContact C-N 3.29Å; V130-I132 PolarHBondContact O-N 3.09Å; I132-A134 VanDerWaalsContact C-N 3.34Å; I132-A134 PolarHBondContact O-N 3.06Å; I132-F135 PolarHBondContact O-N 2.81Å; I132-L136 HydrophobicContact CG2-CD1 4.05Å; I132-L136 HydrophobicContact CG2-CG 4.25Å; I132-L136 WeakPolarHBondContact O-CB 3.46Å; I132-L136 VanDerWaalsContact O-CG 3.3Å; I132-L136 WeakPolarHBondContact O-CG 3.43Å; I132-L136 PolarHBondContact O-N 2.97Å; I132-W160 HydrophobicContact CB-CH2 4.15Å; I132-W160 HydrophobicContact CB-CZ3 4.39Å; I132-W160 HydrophobicContact CG1-CH2 4.48Å; I132-W160 HydrophobicContact CG2-CH2 4.2Å; I132-W160 HydrophobicContact CG2-CZ3 4.26Å; I132-I226 HydrophobicContact CG2-CD1 3.89Å; I132-I226 HydrophobicContact CG2-CG2 4.47Å; I132-L253 HydrophobicContact CD1-CD2 3.61Å; I132-L255 HydrophobicContact CD1-CD2 3.65Å; I132-L255 HydrophobicContact CG1-CD1 3.74Å; I132-L255 HydrophobicContact CG1-CD2 3.62Å; I132-L255 HydrophobicContact CG1-CG 4.34Å |
| 133 | I | 93.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 178.2 | -63.8 | 167.5 | 0 | 0 | 0 | 110.8 | T129 V130 L136 S137 W160 E163 F164 W167 T168 | T129-I133 HydrophobicContact CG2-CD1 3.88Å; T129-I133 VanDerWaalsContact O-CG1 3.25Å; T129-I133 WeakPolarHBondContact O-CG1 3.32Å; T129-I133 PolarHBondContact O-N 3.24Å; V130-I133 PolarHBondContact O-N 2.91Å; I133-L136 PolarHBondContact O-N 3.3Å; I133-S137 PolarHBondContact O-N 2.97Å; I133-W160 HydrophobicContact CG1-CZ3 4.43Å; I133-E163 HydrophobicContact CD1-CB 3.62Å; I133-F164 HydrophobicContact CB-CD1 4.47Å; I133-F164 HydrophobicContact CB-CE1 4.25Å; I133-F164 HydrophobicContact CD1-CD1 4.24Å; I133-F164 HydrophobicContact CD1-CE1 4.38Å; I133-F164 HydrophobicContact CG1-CD1 3.84Å; I133-F164 HydrophobicContact CG1-CE1 3.57Å; I133-F164 HydrophobicContact CG1-CZ 4.08Å; I133-F164 HydrophobicContact CG2-CD1 3.91Å; I133-F164 HydrophobicContact CG2-CE1 4.08Å; I133-W167 HydrophobicContact CG2-CB 3.93Å; I133-T168 HydrophobicContact CG2-CG2 3.77Å; I133-T168 WeakPolarHBondContact CG2-OG1 3.43Å |
| 134 | A | 91.8 | Very high | 88.4 | Confident | 1 Ų | 1 | 16.5 Ų | 16.5 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.8 | -45.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L88 L92 L96 I104 V130 I132 L136 S137 G138 | L88-A134 HydrophobicContact CD1-CB 4.15Å; L88-A134 VanDerWaalsContact CD2-O 3.25Å; L88-A134 WeakPolarHBondContact CD2-O 3.14Å; L92-A134 HydrophobicContact CD2-CB 4.22Å; L96-A134 HydrophobicContact CD1-CB 3.94Å; L96-A134 HydrophobicContact CD2-CB 4.41Å; I104-A134 HydrophobicContact CD1-CB 3.63Å; I104-A134 HydrophobicContact CG1-CB 4.43Å; V130-A134 WeakPolarHBondContact O-CB 3.1Å; V130-A134 PolarHBondContact O-N 2.88Å; I132-A134 VanDerWaalsContact C-N 3.34Å; I132-A134 PolarHBondContact O-N 3.06Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.05Å; A134-S137 WeakPolarHBondContact O-CB 3.16Å; A134-S137 PolarHBondContact O-N 2.91Å; A134-G138 PolarHBondContact O-N 2.93Å; A134-G138 VanDerWaalsContact O-N 3.15Å |
| 135 | F | 93.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 16 Ų | 16 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -54.5 | -49.4 | 172.8 | 170.2 | -108 | 0 | 0 | 0 | 111.5 | L86 I104 L107 Q131 I132 S137 G138 M139 Y224 | L86-F135 HydrophobicContact CD2-CD2 4.19Å; I104-F135 HydrophobicContact CG1-CB 4.5Å; I104-F135 HydrophobicContact CG2-CB 4.36Å; L107-F135 HydrophobicContact CB-CD1 4.43Å; L107-F135 HydrophobicContact CB-CD2 3.71Å; L107-F135 HydrophobicContact CB-CE2 3.88Å; L107-F135 HydrophobicContact CB-CG 4.01Å; L107-F135 HydrophobicContact CB-CZ 4.31Å; L107-F135 HydrophobicContact CD1-CB 4.06Å; L107-F135 HydrophobicContact CD1-CD1 4.39Å; L107-F135 HydrophobicContact CD1-CG 4.08Å; Q131-F135 WeakPolarHBondContact O-CB 3.41Å; Q131-F135 PolarHBondContact O-N 3.23Å; I132-F135 PolarHBondContact O-N 2.81Å; F135-S137 VanDerWaalsContact C-N 3.35Å; F135-S137 PolarHBondContact O-N 3.15Å; F135-G138 PolarHBondContact O-N 3.27Å; F135-M139 HydrophobicContact CD1-CG 4.45Å; F135-M139 HydrophobicContact CD2-CG 4.03Å; F135-M139 HydrophobicContact CE1-CG 4.05Å; F135-M139 HydrophobicContact CE2-CG 3.57Å; F135-M139 HydrophobicContact CE2-SD 3.77Å; F135-M139 HydrophobicContact CG-CG 4.44Å; F135-M139 HydrophobicContact CZ-CE 4.28Å; F135-M139 HydrophobicContact CZ-CG 3.59Å; F135-M139 HydrophobicContact CZ-SD 3.99Å; F135-M139 VanDerWaalsContact O-CG 3.25Å; F135-M139 WeakPolarHBondContact O-CG 3.29Å; F135-M139 PolarHBondContact O-N 2.91Å; F135-Y224 HydrophobicContact CE1-CE1 4.12Å; F135-Y224 HydrophobicContact CZ-CE1 4.39Å; F135-Y224 HydrophobicContact CZ-CE2 4.48Å; F135-Y224 AromaticContact CZ-CZ 3.92Å |
| 136 | L | 92 | Very high | 88.9 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.5 | -39.9 | 177.5 | -72 | -179.6 | 0 | 0 | 0 | 112.3 | I132 I133 A134 G138 M139 F140 V148 M171 I226 | I132-L136 HydrophobicContact CG2-CD1 4.05Å; I132-L136 HydrophobicContact CG2-CG 4.25Å; I132-L136 WeakPolarHBondContact O-CB 3.46Å; I132-L136 VanDerWaalsContact O-CG 3.3Å; I132-L136 WeakPolarHBondContact O-CG 3.43Å; I132-L136 PolarHBondContact O-N 2.97Å; I133-L136 PolarHBondContact O-N 3.3Å; A134-L136 VanDerWaalsContact C-N 3.34Å; A134-L136 PolarHBondContact O-N 3.05Å; L136-G138 PolarHBondContact O-N 2.79Å; L136-M139 PolarHBondContact O-N 2.9Å; L136-F140 HydrophobicContact CB-CD2 4.38Å; L136-F140 WeakPolarHBondContact O-CB 3.43Å; L136-F140 VanDerWaalsContact O-CD2 3.25Å; L136-F140 WeakPolarHBondContact O-CD2 3.33Å; L136-F140 PolarHBondContact O-N 2.88Å; L136-V148 HydrophobicContact CD1-CG1 4.14Å; L136-V148 HydrophobicContact CD2-CG1 4.22Å; L136-V148 HydrophobicContact CD2-CG2 3.98Å; L136-M171 HydrophobicContact CB-CE 4.23Å; L136-M171 HydrophobicContact CB-SD 4.36Å; L136-I226 HydrophobicContact CD1-CD1 4.26Å; L136-I226 HydrophobicContact CD2-CD1 4.23Å |
| 137 | S | 89 | Confident | 89.2 | Confident | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.028 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55 | -54.9 | 175.3 | -158.7 | 0 | 0 | 0 | 0 | 111.2 | I133 A134 F135 M139 F140 D141 | I133-S137 PolarHBondContact O-N 2.97Å; A134-S137 WeakPolarHBondContact O-CB 3.16Å; A134-S137 PolarHBondContact O-N 2.91Å; F135-S137 VanDerWaalsContact C-N 3.35Å; F135-S137 PolarHBondContact O-N 3.15Å; S137-M139 VanDerWaalsContact C-N 3.3Å; S137-M139 PolarHBondContact O-N 3.48Å; S137-F140 PolarHBondContact O-N 3.45Å; S137-F140 VanDerWaalsContact O-N 3.16Å; S137-D141 WeakPolarHBondContact O-CB 3.27Å; S137-D141 VanDerWaalsContact O-CG 3.31Å; S137-D141 PolarHBondContact O-N 3.23Å; S137-D141 VanDerWaalsContact O-OD2 3.08Å; S137-D141 PolarHBondContact OG-OD2 2.92Å |
| 138 | G | 87.1 | Confident | 89.6 | Confident | 1 Ų | 1 | 19.2 Ų | 19.2 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.7 | -39.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A134 F135 L136 A142 | A134-G138 PolarHBondContact O-N 2.93Å; A134-G138 VanDerWaalsContact O-N 3.15Å; F135-G138 PolarHBondContact O-N 3.27Å; L136-G138 PolarHBondContact O-N 2.79Å; G138-A142 WeakPolarHBondContact O-CB 3.33Å; G138-A142 PolarHBondContact O-N 3.12Å |
| 139 | M | 89.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -68.3 | -36.3 | 177.4 | -65.1 | -63.6 | -71.2 | 0 | 0 | 112.9 | L86 Y108 Y111 F135 L136 S137 S143 L144 V145 Y224 | L86-M139 HydrophobicContact CD1-SD 4.27Å; Y108-M139 HydrophobicContact CD2-SD 3.73Å; Y108-M139 HydrophobicContact CE2-SD 3.94Å; Y111-M139 HydrophobicContact CD1-CE 3.7Å; Y111-M139 HydrophobicContact CD2-CE 3.62Å; Y111-M139 HydrophobicContact CE1-CE 3.81Å; Y111-M139 HydrophobicContact CE2-CE 3.71Å; Y111-M139 HydrophobicContact CG-CE 3.61Å; F135-M139 HydrophobicContact CD1-CG 4.45Å; F135-M139 HydrophobicContact CD2-CG 4.03Å; F135-M139 HydrophobicContact CE1-CG 4.05Å; F135-M139 HydrophobicContact CE2-CG 3.57Å; F135-M139 HydrophobicContact CE2-SD 3.77Å; F135-M139 HydrophobicContact CG-CG 4.44Å; F135-M139 HydrophobicContact CZ-CE 4.28Å; F135-M139 HydrophobicContact CZ-CG 3.59Å; F135-M139 HydrophobicContact CZ-SD 3.99Å; F135-M139 VanDerWaalsContact O-CG 3.25Å; F135-M139 WeakPolarHBondContact O-CG 3.29Å; F135-M139 PolarHBondContact O-N 2.91Å; L136-M139 PolarHBondContact O-N 2.9Å; S137-M139 VanDerWaalsContact C-N 3.3Å; S137-M139 PolarHBondContact O-N 3.48Å; M139-S143 PolarHBondContact O-N 2.91Å; M139-S143 VanDerWaalsContact O-N 3.14Å; M139-L144 HydrophobicContact CE-CB 3.7Å; M139-L144 HydrophobicContact CE-CD1 3.9Å; M139-L144 HydrophobicContact CE-CG 4.47Å; M139-L144 PolarHBondContact O-N 3.36Å; M139-L144 HydrophobicContact SD-CB 4.39Å; M139-L144 HydrophobicContact SD-CD1 3.79Å; M139-V145 HydrophobicContact CB-CB 4.24Å; M139-V145 HydrophobicContact CB-CG2 4.09Å; M139-V145 HydrophobicContact CE-CG2 3.84Å; M139-V145 PolarHBondContact O-N 2.82Å; M139-Y224 HydrophobicContact CE-CE2 4.44Å |
| 140 | F | 86.8 | Confident | 89.9 | Confident | 18 Ų | 18 | 16.7 Ų | 16.7 | 8% | 0.079 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -74.5 | -41.8 | 174.4 | -86.1 | -69.2 | 0 | 0 | 0 | 112.1 | L136 S137 S143 V145 N146 V148 M171 N195 V197 R1101 | L136-F140 HydrophobicContact CB-CD2 4.38Å; L136-F140 WeakPolarHBondContact O-CB 3.43Å; L136-F140 VanDerWaalsContact O-CD2 3.25Å; L136-F140 WeakPolarHBondContact O-CD2 3.33Å; L136-F140 PolarHBondContact O-N 2.88Å; S137-F140 PolarHBondContact O-N 3.45Å; S137-F140 VanDerWaalsContact O-N 3.16Å; F140-S143 VanDerWaalsContact O-CA 3.31Å; F140-S143 WeakPolarHBondContact O-CA 3.26Å; F140-S143 PolarHBondContact O-N 2.99Å; F140-S143 PolarHBondContact O-OG 2.79Å; F140-V145 WeakPolarHBondContact CD1-O 3.19Å; F140-V145 HydrophobicContact CE1-CG1 4.33Å; F140-V145 WeakPolarHBondContact CE1-O 3.49Å; F140-V145 HydrophobicContact CE2-CG1 4.37Å; F140-V145 HydrophobicContact CZ-CG1 4.09Å; F140-N146 WeakPolarHBondContact CE1-O 3.11Å; F140-V148 HydrophobicContact CE2-CG2 3.88Å; F140-V148 HydrophobicContact CZ-CG2 3.79Å; F140-M171 HydrophobicContact CD2-CG 4.46Å; F140-M171 HydrophobicContact CD2-SD 3.33Å; F140-M171 WeakPolarHBondContact CD2-SD 3.35Å; F140-M171 HydrophobicContact CE2-CG 4.48Å; F140-M171 HydrophobicContact CE2-SD 3.47Å; F140-M171 WeakPolarHBondContact CE2-SD 3.43Å; F140-M171 HydrophobicContact CG-SD 4.31Å; F140-N195 HydrophobicContact CE1-CB 4.25Å; F140-V197 HydrophobicContact CE2-CG2 3.76Å; F140-V197 HydrophobicContact CZ-CG2 4.05Å; F140-R1101 PolarHBondContact O-NH1 2.69Å |
| 141 | D | 82.6 | Confident | 90.1 | Very high | 23 Ų | 23 | 16 Ų | 16 | 12% | 0.123 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -62.9 | -48.3 | 177.3 | -71.4 | -43 | 0 | 0 | 0 | 110.1 | S137 S143 A1098 | S137-D141 WeakPolarHBondContact O-CB 3.27Å; S137-D141 VanDerWaalsContact O-CG 3.31Å; S137-D141 PolarHBondContact O-N 3.23Å; S137-D141 VanDerWaalsContact O-OD2 3.08Å; S137-D141 PolarHBondContact OG-OD2 2.92Å; D141-S143 PolarHBondContact O-N 2.99Å; D141-S143 VanDerWaalsContact O-N 3.1Å; D141-S143 PolarHBondContact O-OG 2.89Å; D141-A1098 WeakPolarHBondContact OD1-CB 3.3Å; D141-A1098 PolarHBondContact OD1-N 3.41Å; D141-A1098 VanDerWaalsContact OD1-N 3.12Å |
| 142 | A | 82.3 | Confident | 90 | Very high | 57 Ų | 57 | 16 Ų | 16 | 47% | 0.471 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | G138 L144 | G138-A142 WeakPolarHBondContact O-CB 3.33Å; G138-A142 PolarHBondContact O-N 3.12Å; A142-L144 HydrophobicContact CB-CD1 3.93Å; A142-L144 HydrophobicContact CB-CG 3.91Å; A142-L144 PolarHBondContact O-N 2.71Å |
| 143 | S | 83.9 | Confident | 89.7 | Confident | 62 Ų | 62 | 17.1 Ų | 17.1 | 43% | 0.434 | 10% | 0.104 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 30.6 | 177.1 | -48.3 | 0 | 0 | 0 | 0 | 114.2 | M139 F140 D141 R1101 | M139-S143 PolarHBondContact O-N 2.91Å; M139-S143 VanDerWaalsContact O-N 3.14Å; F140-S143 VanDerWaalsContact O-CA 3.31Å; F140-S143 WeakPolarHBondContact O-CA 3.26Å; F140-S143 PolarHBondContact O-N 2.99Å; F140-S143 PolarHBondContact O-OG 2.79Å; D141-S143 PolarHBondContact O-N 2.99Å; D141-S143 VanDerWaalsContact O-N 3.1Å; D141-S143 PolarHBondContact O-OG 2.89Å; S143-R1101 PolarHBondContact OG-NH2 3.47Å |
| 144 | L | 85.6 | Confident | 89.2 | Confident | 59 Ų | 59 | 19.4 Ų | 19.4 | 31% | 0.309 | 12% | 0.118 | S | C | . | . | trans | -82.7 | -15.6 | 177.4 | -64.2 | 173.3 | 0 | 0 | 0 | 113 | Y108 Y111 M139 A142 | Y108-L144 HydrophobicContact CE2-CD1 3.96Å; Y111-L144 HydrophobicContact CE1-CB 4.35Å; Y111-L144 HydrophobicContact CE1-CD1 4Å; Y111-L144 HydrophobicContact CE1-CD2 4.29Å; Y111-L144 HydrophobicContact CE1-CG 4.46Å; Y111-L144 PolarHBondContact OH-O 3.26Å; M139-L144 HydrophobicContact CE-CB 3.7Å; M139-L144 HydrophobicContact CE-CD1 3.9Å; M139-L144 HydrophobicContact CE-CG 4.47Å; M139-L144 PolarHBondContact O-N 3.36Å; M139-L144 HydrophobicContact SD-CB 4.39Å; M139-L144 HydrophobicContact SD-CD1 3.79Å; A142-L144 HydrophobicContact CB-CD1 3.93Å; A142-L144 HydrophobicContact CB-CG 3.91Å; A142-L144 PolarHBondContact O-N 2.71Å | ||
| 145 | V | 87.1 | Confident | 88.6 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | trans | -139.4 | 140.2 | -175.8 | 165.7 | 0 | 0 | 0 | 0 | 109.1 | M139 F140 V148 D223 Y224 | M139-V145 HydrophobicContact CB-CB 4.24Å; M139-V145 HydrophobicContact CB-CG2 4.09Å; M139-V145 HydrophobicContact CE-CG2 3.84Å; M139-V145 PolarHBondContact O-N 2.82Å; F140-V145 WeakPolarHBondContact CD1-O 3.19Å; F140-V145 HydrophobicContact CE1-CG1 4.33Å; F140-V145 WeakPolarHBondContact CE1-O 3.49Å; F140-V145 HydrophobicContact CE2-CG1 4.37Å; F140-V145 HydrophobicContact CZ-CG1 4.09Å; V145-V148 HydrophobicContact CG1-CG2 3.38Å; V145-D223 HydrophobicContact CG1-CB 4.02Å; V145-D223 HydrophobicContact CG2-CB 4.32Å; V145-Y224 HydrophobicContact CG1-CD2 4.48Å; V145-Y224 HydrophobicContact CG2-CD2 3.7Å; V145-Y224 HydrophobicContact CG2-CE2 3.75Å | ||
| 146 | N | 87.1 | Confident | 88.2 | Confident | 71 Ų | 71 | 22.9 Ų | 22.9 | 38% | 0.38 | 14% | 0.136 | S | C | . | . | trans | -119.6 | -41.4 | 178.5 | -69.6 | -70.1 | 0 | 0 | 0 | 113 | F140 N195 G196 D223 | F140-N146 WeakPolarHBondContact CE1-O 3.11Å; N146-N195 HydrophobicContact CB-CB 4.11Å; N146-N195 CarbonylContact O-C 3.6Å; N146-N195 WeakPolarHBondContact O-CA 3.2Å; N146-N195 VanDerWaalsContact O-CB 3.29Å; N146-N195 WeakPolarHBondContact O-CB 3.37Å; N146-G196 PolarHBondContact O-N 3.47Å; N146-D223 WeakPolarHBondContact CA-OD2 3.4Å; N146-D223 PolarHBondContact N-OD2 3.17Å | ||
| 147 | H | 91.8 | Very high | 88 | Confident | 39 Ų | 39 | 23.2 Ų | 23.2 | 18% | 0.181 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 115.2 | -171.7 | -53.5 | -80 | 0 | 0 | 0 | 111.7 | I191 R194 F220 W222 D223 | H147-I191 PolarHBondContact CE1-O 3.34Å; H147-I191 PolarHBondContact ND1-O 3.33Å; H147-R194 PolarHBondContact CE1-O 3.22Å; H147-R194 PolarHBondContact ND1-O 3.08Å; H147-F220 HydrophobicContact CB-CE1 4.3Å; H147-F220 HydrophobicContact CB-CZ 4.04Å; H147-F220 AromaticContact CG-CZ 3.79Å; H147-F220 AromaticContact ND1-CZ 3.98Å; H147-W222 HydrophobicContact CB-CE3 3.93Å; H147-W222 HydrophobicContact CB-CZ3 4.06Å; H147-D223 PolarHBondContact N-OD2 2.96Å; H147-D223 PolarHBondContact O-N 3.01Å |
| 148 | V | 94.4 | Very high | 87.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 132.9 | -177 | -176.1 | 0 | 0 | 0 | 0 | 111.5 | L136 F140 V145 G196 V197 I198 I226 | L136-V148 HydrophobicContact CD1-CG1 4.14Å; L136-V148 HydrophobicContact CD2-CG1 4.22Å; L136-V148 HydrophobicContact CD2-CG2 3.98Å; F140-V148 HydrophobicContact CE2-CG2 3.88Å; F140-V148 HydrophobicContact CZ-CG2 3.79Å; V145-V148 HydrophobicContact CG1-CG2 3.38Å; V148-G196 PolarHBondContact N-O 2.67Å; V148-V197 HydrophobicContact CB-CG1 4.2Å; V148-V197 HydrophobicContact CB-CG2 4.2Å; V148-V197 HydrophobicContact CG1-CG1 4.25Å; V148-V197 WeakPolarHBondContact O-CA 3.31Å; V148-I198 PolarHBondContact O-N 2.96Å; V148-I226 HydrophobicContact CG1-CD1 4.01Å; V148-I226 HydrophobicContact CG1-CG1 4.36Å |
| 149 | L | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 112.7 | 174.5 | -177 | 64.3 | 0 | 0 | 0 | 110.6 | I151 I198 T200 W222 Y224 V225 I226 I247 | L149-I151 HydrophobicContact CD2-CD1 4.09Å; L149-I151 HydrophobicContact CD2-CG1 4.41Å; L149-I151 HydrophobicContact CG-CD1 4.32Å; L149-I151 HydrophobicContact CG-CG1 4.19Å; L149-I198 HydrophobicContact CD1-CB 3.99Å; L149-I198 HydrophobicContact CD1-CG2 3.93Å; L149-T200 HydrophobicContact CD1-CG2 3.79Å; L149-T200 HydrophobicContact CG-CG2 4.46Å; L149-W222 HydrophobicContact CB-CD2 3.74Å; L149-W222 HydrophobicContact CB-CE3 3.72Å; L149-W222 HydrophobicContact CB-CG 4.21Å; L149-W222 HydrophobicContact CB-CZ3 4.18Å; L149-W222 HydrophobicContact CD2-CD2 4.49Å; L149-Y224 PolarHBondContact N-O 3.47Å; L149-V225 HydrophobicContact CB-CG2 4.3Å; L149-V225 HydrophobicContact CD2-CG2 4.35Å; L149-V225 WeakPolarHBondContact O-CA 3.43Å; L149-I226 PolarHBondContact O-N 3.41Å; L149-I247 HydrophobicContact CD2-CD1 3.95Å; L149-I247 HydrophobicContact CD2-CG2 4.26Å |
| 150 | L | 95.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.7 | 170.7 | -81.4 | 160 | 0 | 0 | 0 | 110.3 | M152 W160 F164 V197 I198 I199 T200 I226 | L150-M152 HydrophobicContact CB-CE 4.04Å; L150-W160 HydrophobicContact CD1-CE3 4.11Å; L150-W160 HydrophobicContact CD1-CZ3 4.03Å; L150-W160 HydrophobicContact CD2-CE3 4.45Å; L150-W160 HydrophobicContact CD2-CH2 3.89Å; L150-W160 HydrophobicContact CD2-CZ3 3.85Å; L150-F164 HydrophobicContact CD1-CE2 3.73Å; L150-F164 HydrophobicContact CD1-CZ 3.52Å; L150-V197 HydrophobicContact CD1-CG1 3.59Å; L150-V197 HydrophobicContact CG-CG1 4.28Å; L150-I198 PolarHBondContact N-O 2.74Å; L150-I199 HydrophobicContact CB-CG1 4.25Å; L150-I199 HydrophobicContact CD1-CG1 4.32Å; L150-I199 CarbonylContact O-C 3.53Å; L150-I199 WeakPolarHBondContact O-CA 3.33Å; L150-T200 PolarHBondContact O-N 3Å; L150-I226 WeakPolarHBondContact CA-O 3.37Å; L150-I226 HydrophobicContact CD2-CB 3.67Å; L150-I226 HydrophobicContact CD2-CD1 4.42Å; L150-I226 HydrophobicContact CD2-CG2 3.71Å; L150-I226 HydrophobicContact CG-CB 4.41Å |
| 151 | I | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.8 | 175.7 | -63.5 | 155.3 | 0 | 0 | 0 | 108.1 | L149 T200 Y202 L205 V225 I226 L227 D228 | L149-I151 HydrophobicContact CD2-CD1 4.09Å; L149-I151 HydrophobicContact CD2-CG1 4.41Å; L149-I151 HydrophobicContact CG-CD1 4.32Å; L149-I151 HydrophobicContact CG-CG1 4.19Å; I151-T200 WeakPolarHBondContact CA-O 3.44Å; I151-T200 HydrophobicContact CB-CG2 4.3Å; I151-T200 HydrophobicContact CG1-CG2 3.49Å; I151-T200 VanDerWaalsContact CG1-CG2 3.49Å; I151-Y202 HydrophobicContact CG2-CD1 3.54Å; I151-Y202 HydrophobicContact CG2-CD2 4.28Å; I151-Y202 HydrophobicContact CG2-CE1 3.55Å; I151-Y202 HydrophobicContact CG2-CE2 4.31Å; I151-Y202 HydrophobicContact CG2-CG 3.92Å; I151-L205 HydrophobicContact CD1-CD1 3.67Å; I151-L205 HydrophobicContact CD1-CD2 3.92Å; I151-L205 HydrophobicContact CD1-CG 4.47Å; I151-L205 HydrophobicContact CG1-CD1 4.03Å; I151-L205 HydrophobicContact CG2-CD2 4.34Å; I151-V225 HydrophobicContact CD1-CG1 3.9Å; I151-I226 PolarHBondContact N-O 3.22Å; I151-L227 HydrophobicContact CB-CD2 3.66Å; I151-L227 HydrophobicContact CD1-CD2 3.42Å; I151-L227 VanDerWaalsContact CD1-CD2 3.42Å; I151-L227 HydrophobicContact CG1-CD2 4.08Å; I151-L227 HydrophobicContact CG2-CD2 4.15Å; I151-D228 PolarHBondContact O-N 2.88Å |
| 152 | M | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 164.3 | -174.9 | 62.3 | -174.5 | 64.1 | 0 | 0 | 113.2 | L150 L156 I157 W160 I199 T200 T201 D228 | L150-M152 HydrophobicContact CB-CE 4.04Å; M152-L156 HydrophobicContact SD-CB 4.27Å; M152-I157 HydrophobicContact CG-CG1 4.37Å; M152-I157 HydrophobicContact SD-CG1 4.29Å; M152-W160 HydrophobicContact CE-CB 3.78Å; M152-W160 VanDerWaalsContact CE-CD1 3.48Å; M152-W160 HydrophobicContact CE-CD2 3.58Å; M152-W160 HydrophobicContact CE-CE3 4.27Å; M152-W160 HydrophobicContact CE-CG 3.35Å; M152-W160 HydrophobicContact SD-CB 3.94Å; M152-W160 HydrophobicContact SD-CG 3.72Å; M152-I199 HydrophobicContact CE-CB 4.46Å; M152-I199 HydrophobicContact CE-CD1 4.41Å; M152-I199 HydrophobicContact CE-CG1 4.12Å; M152-I199 HydrophobicContact CE-CG2 3.66Å; M152-I199 HydrophobicContact CG-CG2 4.16Å; M152-I199 HydrophobicContact SD-CG2 3.6Å; M152-I199 VanDerWaalsContact SD-CG2 3.6Å; M152-T200 PolarHBondContact N-O 2.91Å; M152-T201 VanDerWaalsContact O-CA 3.26Å; M152-T201 WeakPolarHBondContact O-CA 3.25Å; M152-T201 WeakPolarHBondContact O-CB 3.37Å; M152-D228 HydrophobicContact CB-CB 3.95Å |
| 153 | P | 88 | Confident | 88.5 | Confident | 23 Ų | 23 | 34.2 Ų | 34.2 | 15% | 0.149 | 19% | 0.186 | C | C | . | . | trans | -56.1 | 137.9 | 164.9 | -24.6 | 33.6 | 0 | 0 | 0 | 112.2 | N155 L156 E229 | P153-N155 PolarHBondContact O-N 3.27Å; P153-L156 HydrophobicContact CB-CG 4.5Å; P153-L156 HydrophobicContact CG-CD1 4.22Å; P153-L156 WeakPolarHBondContact O-CB 3.49Å; P153-L156 PolarHBondContact O-N 2.89Å; P153-E229 HydrophobicContact CG-CB 3.95Å; P153-E229 HydrophobicContact CG-CG 4.26Å | ||
| 154 | T | 84.3 | Confident | 88.8 | Confident | 48 Ų | 48 | 31.4 Ų | 31.4 | 29% | 0.294 | 17% | 0.166 | S | C | . | . | G | 310 helix | trans | -50.6 | -37.8 | -175.3 | -49.7 | 0 | 0 | 0 | 0 | 114.3 | L156 I157 H177 T201 | T154-L156 PolarHBondContact O-N 3.46Å; T154-I157 HydrophobicContact CG2-CD1 4.22Å; T154-I157 WeakPolarHBondContact O-CD1 3.4Å; T154-I157 VanDerWaalsContact O-CG1 3.3Å; T154-I157 WeakPolarHBondContact O-CG1 3.38Å; T154-I157 PolarHBondContact O-N 3.03Å; T154-H177 WeakPolarHBondContact CG2-NE2 3.33Å; T154-T201 HydrophobicContact CG2-CG2 4.37Å |
| 155 | N | 79.3 | Confident | 88.9 | Confident | 57 Ų | 57 | 34.1 Ų | 34.1 | 31% | 0.305 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -76.3 | -6.9 | -176 | -54.4 | -5.2 | 0 | 0 | 0 | 113.1 | P153 L513 R516 V541 | P153-N155 PolarHBondContact O-N 3.27Å; N155-L513 HydrophobicContact CB-CD2 4.13Å; N155-R516 PolarHBondContact ND2-NH1 3.31Å; N155-V541 HydrophobicContact CB-CG1 3.67Å |
| 156 | L | 84.9 | Confident | 88.9 | Confident | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.089 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -94.8 | -12.9 | 176.9 | -70.1 | -175 | 0 | 0 | 0 | 113.8 | M152 P153 T154 N158 T159 W160 D228 E229 | M152-L156 HydrophobicContact SD-CB 4.27Å; P153-L156 HydrophobicContact CB-CG 4.5Å; P153-L156 HydrophobicContact CG-CD1 4.22Å; P153-L156 WeakPolarHBondContact O-CB 3.49Å; P153-L156 PolarHBondContact O-N 2.89Å; T154-L156 PolarHBondContact O-N 3.46Å; L156-N158 PolarHBondContact O-N 2.93Å; L156-T159 WeakPolarHBondContact O-CA 3.47Å; L156-T159 WeakPolarHBondContact O-CB 3.36Å; L156-T159 PolarHBondContact O-N 2.9Å; L156-W160 PolarHBondContact O-N 3.21Å; L156-D228 WeakPolarHBondContact CD1-OD2 3.47Å; L156-E229 HydrophobicContact CD1-CG 4.46Å |
| 157 | I | 87.5 | Confident | 88.7 | Confident | 8 Ų | 8 | 38.9 Ų | 38.9 | 4% | 0.041 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -52.6 | -53.7 | -178.3 | -59.1 | 167.1 | 0 | 0 | 0 | 110.9 | M152 T154 T159 W160 V161 T175 H177 I199 T201 | M152-I157 HydrophobicContact CG-CG1 4.37Å; M152-I157 HydrophobicContact SD-CG1 4.29Å; T154-I157 HydrophobicContact CG2-CD1 4.22Å; T154-I157 WeakPolarHBondContact O-CD1 3.4Å; T154-I157 VanDerWaalsContact O-CG1 3.3Å; T154-I157 WeakPolarHBondContact O-CG1 3.38Å; T154-I157 PolarHBondContact O-N 3.03Å; I157-T159 PolarHBondContact O-N 3.01Å; I157-W160 PolarHBondContact O-N 3.13Å; I157-V161 HydrophobicContact CG2-CG2 4.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.33Å; I157-V161 PolarHBondContact O-N 3.48Å; I157-T175 HydrophobicContact CG2-CG2 3.71Å; I157-H177 HydrophobicContact CD1-CB 3.8Å; I157-H177 VanDerWaalsContact CD1-CG 3.47Å; I157-I199 HydrophobicContact CB-CG2 4.49Å; I157-I199 HydrophobicContact CG1-CG2 4.2Å; I157-I199 HydrophobicContact CG2-CG2 4.07Å; I157-T201 HydrophobicContact CD1-CG2 3.61Å; I157-T201 HydrophobicContact CG1-CG2 4.15Å |
| 158 | N | 84.5 | Confident | 88.3 | Confident | 67 Ų | 67 | 37.1 Ų | 37.1 | 36% | 0.358 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.3 | -33 | -178.2 | -67.4 | 7.8 | 0 | 0 | 0 | 111.9 | L156 K162 | L156-N158 PolarHBondContact O-N 2.93Å; N158-K162 WeakPolarHBondContact O-CB 3.47Å; N158-K162 WeakPolarHBondContact O-CG 3.25Å; N158-K162 PolarHBondContact O-N 3.04Å |
| 159 | T | 85.6 | Confident | 87.3 | Confident | 61 Ų | 61 | 39.8 Ų | 39.8 | 37% | 0.374 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.3 | -51.7 | 176 | -48.9 | 0 | 0 | 0 | 0 | 110.6 | L156 I157 V161 K162 E163 | L156-T159 WeakPolarHBondContact O-CA 3.47Å; L156-T159 WeakPolarHBondContact O-CB 3.36Å; L156-T159 PolarHBondContact O-N 2.9Å; I157-T159 PolarHBondContact O-N 3.01Å; T159-V161 VanDerWaalsContact C-N 3.35Å; T159-V161 PolarHBondContact O-N 2.64Å; T159-K162 PolarHBondContact O-N 3.42Å; T159-E163 HydrophobicContact CG2-CG 4.49Å; T159-E163 WeakPolarHBondContact O-CG 3.09Å; T159-E163 PolarHBondContact O-N 2.85Å |
| 160 | W | 90.9 | Very high | 86.1 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 177.9 | -83.8 | 85.3 | 0 | 0 | 0 | 112 | T129 I132 I133 L150 M152 L156 I157 E163 F164 I199 D228 L255 | T129-W160 HydrophobicContact CG2-CD2 3.72Å; T129-W160 HydrophobicContact CG2-CE3 3.77Å; T129-W160 HydrophobicContact CG2-CG 4.35Å; T129-W160 HydrophobicContact CG2-CH2 4.09Å; T129-W160 HydrophobicContact CG2-CZ2 4.02Å; T129-W160 HydrophobicContact CG2-CZ3 3.96Å; I132-W160 HydrophobicContact CB-CH2 4.15Å; I132-W160 HydrophobicContact CB-CZ3 4.39Å; I132-W160 HydrophobicContact CG1-CH2 4.48Å; I132-W160 HydrophobicContact CG2-CH2 4.2Å; I132-W160 HydrophobicContact CG2-CZ3 4.26Å; I133-W160 HydrophobicContact CG1-CZ3 4.43Å; L150-W160 HydrophobicContact CD1-CE3 4.11Å; L150-W160 HydrophobicContact CD1-CZ3 4.03Å; L150-W160 HydrophobicContact CD2-CE3 4.45Å; L150-W160 HydrophobicContact CD2-CH2 3.89Å; L150-W160 HydrophobicContact CD2-CZ3 3.85Å; M152-W160 HydrophobicContact CE-CB 3.78Å; M152-W160 VanDerWaalsContact CE-CD1 3.48Å; M152-W160 HydrophobicContact CE-CD2 3.58Å; M152-W160 HydrophobicContact CE-CE3 4.27Å; M152-W160 HydrophobicContact CE-CG 3.35Å; M152-W160 HydrophobicContact SD-CB 3.94Å; M152-W160 HydrophobicContact SD-CG 3.72Å; L156-W160 PolarHBondContact O-N 3.21Å; I157-W160 PolarHBondContact O-N 3.13Å; W160-E163 PolarHBondContact O-N 3.33Å; W160-F164 HydrophobicContact CB-CE2 4.45Å; W160-F164 AromaticContact CE3-CE2 3.69Å; W160-F164 HydrophobicContact CE3-CE2 3.69Å; W160-F164 AromaticContact CE3-CZ 3.9Å; W160-F164 HydrophobicContact CE3-CZ 3.9Å; W160-F164 HydrophobicContact CZ3-CE2 4.4Å; W160-F164 HydrophobicContact CZ3-CZ 4.18Å; W160-F164 WeakPolarHBondContact O-CD2 3.31Å; W160-F164 PolarHBondContact O-N 2.9Å; W160-I199 HydrophobicContact CB-CD1 4.15Å; W160-D228 HydrophobicContact CZ2-CB 3.98Å; W160-D228 PolarHBondContact NE1-OD2 3.06Å; W160-L255 HydrophobicContact CH2-CD1 3.79Å; W160-L255 HydrophobicContact CZ2-CD1 3.84Å |
| 161 | V | 89.4 | Confident | 85.4 | Confident | 45 Ų | 45 | 41.2 Ų | 41.2 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.2 | -43.4 | 175.5 | 172.2 | 0 | 0 | 0 | 0 | 111.6 | I157 T159 F164 I165 T175 I199 | I157-V161 HydrophobicContact CG2-CG2 4.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.33Å; I157-V161 PolarHBondContact O-N 3.48Å; T159-V161 VanDerWaalsContact C-N 3.35Å; T159-V161 PolarHBondContact O-N 2.64Å; V161-F164 PolarHBondContact O-N 2.86Å; V161-I165 HydrophobicContact CG1-CD1 3.88Å; V161-I165 VanDerWaalsContact O-CG1 3.31Å; V161-I165 WeakPolarHBondContact O-CG1 3.41Å; V161-I165 PolarHBondContact O-N 3.12Å; V161-T175 HydrophobicContact CG2-CG2 4.03Å; V161-I199 HydrophobicContact CG2-CD1 3.78Å |
| 162 | K | 87.4 | Confident | 84.9 | Confident | 104 Ų | 104 | 42 Ų | 42 | 45% | 0.452 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.3 | -73.4 | 174.5 | -168 | -170.4 | 0 | 112.1 | N158 T159 I165 K166 E517 | N158-K162 WeakPolarHBondContact O-CB 3.47Å; N158-K162 WeakPolarHBondContact O-CG 3.25Å; N158-K162 PolarHBondContact O-N 3.04Å; T159-K162 PolarHBondContact O-N 3.42Å; K162-I165 PolarHBondContact O-N 3.15Å; K162-K166 WeakPolarHBondContact O-CB 3.3Å; K162-K166 PolarHBondContact O-N 2.74Å; K162-E517 IonicContact NZ-OE1 3.25Å; K162-E517 PolarHBondContact NZ-OE1 2.84Å; K162-E517 IonicContact NZ-OE2 3.9Å; K162-E517 PolarHBondContact NZ-OE2 2.77Å |
| 163 | E | 89.7 | Confident | 84.8 | Confident | 54 Ų | 54 | 43.6 Ų | 43.6 | 25% | 0.252 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -67.8 | -39.5 | 176.8 | -63.7 | -74.3 | 179.4 | 0 | 0 | 111.5 | T129 I133 T159 W160 K166 W167 | T129-E163 HydrophobicContact CG2-CB 4.34Å; T129-E163 HydrophobicContact CG2-CG 4.38Å; I133-E163 HydrophobicContact CD1-CB 3.62Å; T159-E163 HydrophobicContact CG2-CG 4.49Å; T159-E163 WeakPolarHBondContact O-CG 3.09Å; T159-E163 PolarHBondContact O-N 2.85Å; W160-E163 PolarHBondContact O-N 3.33Å; E163-K166 PolarHBondContact O-N 2.69Å; E163-W167 PolarHBondContact O-N 3.39Å; E163-W167 VanDerWaalsContact OE2-CD1 3.3Å; E163-W167 PolarHBondContact OE2-NE1 2.98Å |
| 164 | F | 89.9 | Confident | 84.9 | Confident | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.7 | -48.6 | 172.7 | -81.4 | -60.3 | 0 | 0 | 0 | 112 | I133 L150 W160 V161 K166 T168 M171 V173 I199 | I133-F164 HydrophobicContact CB-CD1 4.47Å; I133-F164 HydrophobicContact CB-CE1 4.25Å; I133-F164 HydrophobicContact CD1-CD1 4.24Å; I133-F164 HydrophobicContact CD1-CE1 4.38Å; I133-F164 HydrophobicContact CG1-CD1 3.84Å; I133-F164 HydrophobicContact CG1-CE1 3.57Å; I133-F164 HydrophobicContact CG1-CZ 4.08Å; I133-F164 HydrophobicContact CG2-CD1 3.91Å; I133-F164 HydrophobicContact CG2-CE1 4.08Å; L150-F164 HydrophobicContact CD1-CE2 3.73Å; L150-F164 HydrophobicContact CD1-CZ 3.52Å; W160-F164 HydrophobicContact CB-CE2 4.45Å; W160-F164 AromaticContact CE3-CE2 3.69Å; W160-F164 HydrophobicContact CE3-CE2 3.69Å; W160-F164 AromaticContact CE3-CZ 3.9Å; W160-F164 HydrophobicContact CE3-CZ 3.9Å; W160-F164 HydrophobicContact CZ3-CE2 4.4Å; W160-F164 HydrophobicContact CZ3-CZ 4.18Å; W160-F164 WeakPolarHBondContact O-CD2 3.31Å; W160-F164 PolarHBondContact O-N 2.9Å; V161-F164 PolarHBondContact O-N 2.86Å; F164-K166 PolarHBondContact O-N 3.14Å; F164-T168 CarbonylContact O-C 3.55Å; F164-T168 WeakPolarHBondContact O-CA 3.49Å; F164-T168 PolarHBondContact O-N 3.47Å; F164-M171 HydrophobicContact CD1-CE 3.54Å; F164-M171 HydrophobicContact CE1-CE 3.27Å; F164-M171 HydrophobicContact CZ-CE 4.37Å; F164-V173 HydrophobicContact CB-CG2 4.1Å; F164-V173 HydrophobicContact CD1-CG2 3.97Å; F164-V173 HydrophobicContact CD2-CG1 3.95Å; F164-V173 HydrophobicContact CD2-CG2 3.99Å; F164-V173 HydrophobicContact CE1-CG2 4.41Å; F164-V173 HydrophobicContact CE2-CG1 4.23Å; F164-V173 HydrophobicContact CE2-CG2 4.42Å; F164-V173 HydrophobicContact CG-CG2 3.77Å; F164-I199 HydrophobicContact CD2-CD1 4.05Å; F164-I199 HydrophobicContact CE2-CD1 3.91Å; F164-I199 HydrophobicContact CE2-CG1 4.44Å |
| 165 | I | 87.6 | Confident | 85.2 | Confident | 115 Ų | 115 | 44.1 Ų | 44.1 | 59% | 0.59 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -59.9 | -34.5 | 177.1 | -67.6 | 165 | 0 | 0 | 0 | 111.5 | V161 K162 P169 | V161-I165 HydrophobicContact CG1-CD1 3.88Å; V161-I165 VanDerWaalsContact O-CG1 3.31Å; V161-I165 WeakPolarHBondContact O-CG1 3.41Å; V161-I165 PolarHBondContact O-N 3.12Å; K162-I165 PolarHBondContact O-N 3.15Å; I165-P169 WeakPolarHBondContact O-CD 3.48Å |
| 166 | K | 86 | Confident | 85.6 | Confident | 129 Ų | 129 | 41.5 Ų | 41.5 | 56% | 0.561 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -74.1 | -51.2 | 179.9 | -177.2 | -164.2 | 171.5 | -148.8 | 0 | 113.3 | K162 E163 F164 | K162-K166 WeakPolarHBondContact O-CB 3.3Å; K162-K166 PolarHBondContact O-N 2.74Å; E163-K166 PolarHBondContact O-N 2.69Å; F164-K166 PolarHBondContact O-N 3.14Å |
| 167 | W | 84.6 | Confident | 85.6 | Confident | 43 Ų | 43 | 43.8 Ų | 43.8 | 16% | 0.163 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -92.2 | -32.8 | -171.5 | -63.8 | 105 | 0 | 0 | 0 | 113.3 | L92 Q95 V130 I133 E163 | L92-W167 HydrophobicContact CD1-CB 4.46Å; L92-W167 HydrophobicContact CD1-CE3 3.87Å; Q95-W167 HydrophobicContact CB-CZ3 3.89Å; V130-W167 HydrophobicContact CB-CZ2 4.46Å; V130-W167 HydrophobicContact CG1-CD2 3.81Å; V130-W167 HydrophobicContact CG1-CE3 4.17Å; V130-W167 HydrophobicContact CG1-CG 4.32Å; V130-W167 HydrophobicContact CG1-CH2 4.04Å; V130-W167 HydrophobicContact CG1-CZ2 3.68Å; V130-W167 HydrophobicContact CG1-CZ3 4.28Å; V130-W167 HydrophobicContact CG2-CZ2 3.88Å; I133-W167 HydrophobicContact CG2-CB 3.93Å; E163-W167 PolarHBondContact O-N 3.39Å; E163-W167 VanDerWaalsContact OE2-CD1 3.3Å; E163-W167 PolarHBondContact OE2-NE1 2.98Å |
| 168 | T | 82 | Confident | 85.3 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | trans | -141.4 | 65.2 | -177.1 | 48.4 | 0 | 0 | 0 | 0 | 111.5 | I133 F164 G170 M171 | I133-T168 HydrophobicContact CG2-CG2 3.77Å; I133-T168 WeakPolarHBondContact CG2-OG1 3.43Å; F164-T168 CarbonylContact O-C 3.55Å; F164-T168 WeakPolarHBondContact O-CA 3.49Å; F164-T168 PolarHBondContact O-N 3.47Å; T168-G170 PolarHBondContact O-N 3.3Å; T168-M171 PolarHBondContact O-N 2.9Å | ||
| 169 | P | 73.1 | Confident | 85 | Confident | 56 Ų | 56 | 47.5 Ų | 47.5 | 36% | 0.364 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -9.5 | 168.1 | 27.6 | -35.7 | 0 | 0 | 0 | 112.8 | I165 S1102 | I165-P169 WeakPolarHBondContact O-CD 3.48Å; P169-S1102 VanDerWaalsContact O-CB 3.23Å; P169-S1102 WeakPolarHBondContact O-CB 3.37Å; P169-S1102 PolarHBondContact O-OG 3.16Å |
| 170 | G | 70.2 | Confident | 84.9 | Confident | 4 Ų | 4 | 46.5 Ų | 46.5 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -30 | 167 | 0 | 0 | 0 | 0 | 0 | 117.1 | T168 A1098 S1102 | T168-G170 PolarHBondContact O-N 3.3Å; G170-A1098 CarbonylContact C-O 3.49Å; G170-A1098 WeakPolarHBondContact CA-O 3.36Å; G170-S1102 WeakPolarHBondContact O-CB 3.19Å |
| 171 | M | 81.9 | Confident | 84.6 | Confident | 26 Ų | 26 | 52.1 Ų | 52.1 | 13% | 0.128 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -99.4 | 131.6 | -162.3 | -168.4 | 153.6 | 53.3 | 0 | 0 | 112.9 | L136 F140 F164 T168 V173 V197 | L136-M171 HydrophobicContact CB-CE 4.23Å; L136-M171 HydrophobicContact CB-SD 4.36Å; F140-M171 HydrophobicContact CD2-CG 4.46Å; F140-M171 HydrophobicContact CD2-SD 3.33Å; F140-M171 WeakPolarHBondContact CD2-SD 3.35Å; F140-M171 HydrophobicContact CE2-CG 4.48Å; F140-M171 HydrophobicContact CE2-SD 3.47Å; F140-M171 WeakPolarHBondContact CE2-SD 3.43Å; F140-M171 HydrophobicContact CG-SD 4.31Å; F164-M171 HydrophobicContact CD1-CE 3.54Å; F164-M171 HydrophobicContact CE1-CE 3.27Å; F164-M171 HydrophobicContact CZ-CE 4.37Å; T168-M171 PolarHBondContact O-N 2.9Å; M171-V173 HydrophobicContact CB-CG2 4.39Å; M171-V173 HydrophobicContact CG-CG2 4.25Å; M171-V173 PolarHBondContact O-N 3.25Å; M171-V197 HydrophobicContact CE-CG2 4.23Å; M171-V197 HydrophobicContact CG-CG2 3.97Å; M171-V197 HydrophobicContact SD-CG2 3.7Å |
| 172 | R | 84.3 | Confident | 84.3 | Confident | 18 Ų | 18 | 54.5 Ų | 54.5 | 7% | 0.068 | 28% | 0.284 | C | S | . | . | trans | -71.4 | 102.7 | 173 | -173.2 | -171.7 | -87.1 | 106.8 | -0.1 | 109.5 | I191 G196 V197 N1105 D1109 | R172-I191 HydrophobicContact CG-CD1 3.71Å; R172-G196 WeakPolarHBondContact O-CA 3.18Å; R172-V197 PolarHBondContact O-N 3.35Å; R172-N1105 VanDerWaalsContact NH1-CG 3.25Å; R172-N1105 PolarHBondContact NH1-OD1 3.4Å; R172-N1105 VanDerWaalsContact NH2-CG 3.33Å; R172-N1105 PolarHBondContact NH2-OD1 3.01Å; R172-D1109 IonicContact CZ-OD1 3.71Å; R172-D1109 VanDerWaalsContact CZ-OD1 3.31Å; R172-D1109 IonicContact NE-OD1 2.88Å; R172-D1109 PolarHBondContact NE-OD1 3.4Å; R172-D1109 IonicContact NE-OD2 3.34Å; R172-D1109 IonicContact NH2-OD1 2.59Å; R172-D1109 PolarHBondContact NH2-OD1 3.22Å | ||
| 173 | V | 89 | Confident | 84.2 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 20% | 0.2 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.6 | 174.6 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | F164 M171 V197 I199 | F164-V173 HydrophobicContact CB-CG2 4.1Å; F164-V173 HydrophobicContact CD1-CG2 3.97Å; F164-V173 HydrophobicContact CD2-CG1 3.95Å; F164-V173 HydrophobicContact CD2-CG2 3.99Å; F164-V173 HydrophobicContact CE1-CG2 4.41Å; F164-V173 HydrophobicContact CE2-CG1 4.23Å; F164-V173 HydrophobicContact CE2-CG2 4.42Å; F164-V173 HydrophobicContact CG-CG2 3.77Å; M171-V173 HydrophobicContact CB-CG2 4.39Å; M171-V173 HydrophobicContact CG-CG2 4.25Å; M171-V173 PolarHBondContact O-N 3.25Å; V173-V197 WeakPolarHBondContact CA-O 3.44Å; V173-V197 HydrophobicContact CG2-CB 4.23Å; V173-I199 HydrophobicContact CG1-CD1 3.62Å; V173-I199 HydrophobicContact CG1-CG1 4.02Å |
| 174 | K | 90.4 | Very high | 84.1 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 19% | 0.187 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 153.1 | 174.9 | -61.3 | -70.1 | -178.6 | 176 | 0 | 111.3 | N187 I191 V197 I198 I199 D1109 | K174-N187 HydrophobicContact CB-CB 4.09Å; K174-I191 HydrophobicContact CB-CD1 4.43Å; K174-I191 HydrophobicContact CB-CG1 4.09Å; K174-I191 HydrophobicContact CG-CD1 3.94Å; K174-I191 HydrophobicContact CG-CG1 4Å; K174-V197 PolarHBondContact N-O 3.27Å; K174-I198 WeakPolarHBondContact O-CA 3.48Å; K174-I199 PolarHBondContact O-N 2.72Å; K174-D1109 WeakPolarHBondContact CE-OD2 3.36Å; K174-D1109 IonicContact NZ-OD2 3.73Å; K174-D1109 PolarHBondContact NZ-OD2 3.41Å |
| 175 | T | 90.7 | Very high | 83.9 | Confident | 39 Ų | 39 | 54.6 Ų | 54.6 | 24% | 0.239 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123.2 | -178.1 | 45.7 | 0 | 0 | 0 | 0 | 112.3 | I157 V161 H177 N187 I199 | I157-T175 HydrophobicContact CG2-CG2 3.71Å; V161-T175 HydrophobicContact CG2-CG2 4.03Å; T175-H177 PolarHBondContact O-N 3.37Å; T175-N187 PolarHBondContact O-ND2 3.48Å; T175-N187 VanDerWaalsContact O-ND2 3.17Å; T175-I199 HydrophobicContact CG2-CB 4.3Å |
| 176 | F | 88.5 | Confident | 83.7 | Confident | 1 Ų | 1 | 53.4 Ų | 53.4 | 0% | 0.004 | 28% | 0.276 | C | S | . | . | trans | -89.6 | 54.6 | 166.3 | -166.5 | -95.3 | 0 | 0 | 0 | 110.1 | R184 L188 I198 I199 M204 N208 L212 | F176-R184 HydrophobicContact CD2-CB 3.82Å; F176-R184 HydrophobicContact CD2-CG 4.46Å; F176-R184 WeakPolarHBondContact CD2-O 3.38Å; F176-R184 HydrophobicContact CE2-CB 3.77Å; F176-R184 HydrophobicContact CG-CB 4.43Å; F176-R184 HydrophobicContact CZ-CB 4.33Å; F176-L188 HydrophobicContact CD2-CB 3.95Å; F176-L188 HydrophobicContact CD2-CD2 4.32Å; F176-L188 HydrophobicContact CE2-CB 4.02Å; F176-L188 HydrophobicContact CE2-CD2 3.75Å; F176-L188 HydrophobicContact CE2-CG 4.48Å; F176-L188 HydrophobicContact CZ-CD2 4.45Å; F176-I198 HydrophobicContact CB-CG2 3.66Å; F176-I199 PolarHBondContact N-O 2.81Å; F176-M204 HydrophobicContact CD1-CB 4.44Å; F176-N208 HydrophobicContact CE1-CB 3.65Å; F176-N208 HydrophobicContact CZ-CB 3.94Å; F176-L212 HydrophobicContact CD1-CD2 4.37Å; F176-L212 HydrophobicContact CE1-CD2 4.48Å; F176-L212 HydrophobicContact CG-CD2 4.39Å | ||
| 177 | H | 84.8 | Confident | 83.8 | Confident | 65 Ų | 65 | 48.2 Ų | 48.2 | 30% | 0.301 | 25% | 0.254 | S | S | . | . | trans | -151.6 | 128.6 | 179.9 | -179.6 | -89.8 | 0 | 0 | 0 | 110 | T154 I157 T175 | T154-H177 WeakPolarHBondContact CG2-NE2 3.33Å; I157-H177 HydrophobicContact CD1-CB 3.8Å; I157-H177 VanDerWaalsContact CD1-CG 3.47Å; T175-H177 PolarHBondContact O-N 3.37Å | ||
| 178 | G | 81.7 | Confident | 83.9 | Confident | 20 Ų | 20 | 46.5 Ų | 46.5 | 21% | 0.206 | 25% | 0.248 | C | C | . | . | S | Bend | trans | 158 | 165.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R184 | G178-R184 PolarHBondContact O-NE 2.95Å; G178-R184 VanDerWaalsContact O-NE 3.15Å |
| 179 | P | 77 | Confident | 84.1 | Confident | 134 Ų | 134 | 49.1 Ų | 49.1 | 87% | 0.87 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -68.9 | -42.1 | 178 | 27.6 | -32.8 | 0 | 0 | 0 | 111.5 | K181 | P179-K181 PolarHBondContact O-N 3.26Š|
| 180 | S | 84.9 | Confident | 84.6 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 28% | 0.28 | 25% | 0.25 | S | C | . | . | trans | -58.8 | 130.2 | 176.8 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | D182 E183 R184 | S180-D182 PolarHBondContact OG-N 3.14Å; S180-E183 VanDerWaalsContact OG-CB 3.32Å; S180-E183 WeakPolarHBondContact OG-CB 3.47Å; S180-E183 PolarHBondContact OG-N 2.95Å; S180-E183 VanDerWaalsContact OG-N 3.1Å; S180-R184 WeakPolarHBondContact O-CG 3.14Å; S180-R184 PolarHBondContact O-NE 3.1Å | ||
| 181 | K | 84 | Confident | 85.3 | Confident | 119 Ų | 119 | 47.7 Ų | 47.7 | 52% | 0.517 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -78.9 | -41.1 | 172.6 | -174.6 | -174.5 | 175.2 | -168.9 | 0 | 109.9 | P179 R184 T185 | P179-K181 PolarHBondContact O-N 3.26Å; K181-R184 WeakPolarHBondContact O-CB 3.47Å; K181-R184 PolarHBondContact O-N 2.81Å; K181-T185 PolarHBondContact O-N 2.89Å; K181-T185 PolarHBondContact O-OG1 3.18Å |
| 182 | D | 82.6 | Confident | 85.4 | Confident | 96 Ų | 96 | 47 Ų | 47 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -79.7 | -27.9 | -168.3 | -42.6 | -67.6 | 0 | 0 | 0 | 111.5 | S180 R186 | S180-D182 PolarHBondContact OG-N 3.14Å; D182-R186 VanDerWaalsContact O-CB 3.24Å; D182-R186 WeakPolarHBondContact O-CB 3.28Å; D182-R186 VanDerWaalsContact O-CG 3.27Å; D182-R186 WeakPolarHBondContact O-CG 3.28Å; D182-R186 PolarHBondContact O-N 2.77Å; D182-R186 PolarHBondContact O-NE 2.87Å |
| 183 | E | 84.6 | Confident | 85.2 | Confident | 90 Ų | 90 | 51.5 Ų | 51.5 | 42% | 0.421 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 166 | -172.7 | -166.3 | 164.1 | 0 | 0 | 111.2 | S180 T185 R186 N187 | S180-E183 VanDerWaalsContact OG-CB 3.32Å; S180-E183 WeakPolarHBondContact OG-CB 3.47Å; S180-E183 PolarHBondContact OG-N 2.95Å; S180-E183 VanDerWaalsContact OG-N 3.1Å; E183-T185 PolarHBondContact O-N 3.22Å; E183-R186 PolarHBondContact O-N 2.82Å; E183-N187 WeakPolarHBondContact O-CB 3.43Å; E183-N187 PolarHBondContact O-N 3.47Å |
| 184 | R | 87.7 | Confident | 84.7 | Confident | 32 Ų | 32 | 52.4 Ų | 52.4 | 12% | 0.121 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 176.8 | -75.2 | -177 | -73.2 | 149.6 | -7.3 | 111.5 | F176 G178 S180 K181 N187 L188 | F176-R184 HydrophobicContact CD2-CB 3.82Å; F176-R184 HydrophobicContact CD2-CG 4.46Å; F176-R184 WeakPolarHBondContact CD2-O 3.38Å; F176-R184 HydrophobicContact CE2-CB 3.77Å; F176-R184 HydrophobicContact CG-CB 4.43Å; F176-R184 HydrophobicContact CZ-CB 4.33Å; G178-R184 PolarHBondContact O-NE 2.95Å; G178-R184 VanDerWaalsContact O-NE 3.15Å; S180-R184 WeakPolarHBondContact O-CG 3.14Å; S180-R184 PolarHBondContact O-NE 3.1Å; K181-R184 WeakPolarHBondContact O-CB 3.47Å; K181-R184 PolarHBondContact O-N 2.81Å; R184-N187 PolarHBondContact O-N 2.9Å; R184-L188 VanDerWaalsContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CB 3.19Å; R184-L188 PolarHBondContact O-N 3.11Å |
| 185 | T | 86.3 | Confident | 84.4 | Confident | 41 Ų | 41 | 53 Ų | 53 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 112.5 | K181 E183 N189 | K181-T185 PolarHBondContact O-N 2.89Å; K181-T185 PolarHBondContact O-OG1 3.18Å; E183-T185 PolarHBondContact O-N 3.22Å; T185-N189 WeakPolarHBondContact CG2-ND2 3.37Å; T185-N189 WeakPolarHBondContact O-CB 3.5Å; T185-N189 PolarHBondContact O-N 3.03Å; T185-N189 PolarHBondContact O-ND2 2.82Å |
| 186 | R | 84.3 | Confident | 84.2 | Confident | 91 Ų | 91 | 51.2 Ų | 51.2 | 34% | 0.343 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.1 | -52.7 | 168.9 | -84.7 | 179.3 | -92.8 | -165.2 | -13.8 | 111.4 | D182 E183 L188 N189 R190 E1116 | D182-R186 VanDerWaalsContact O-CB 3.24Å; D182-R186 WeakPolarHBondContact O-CB 3.28Å; D182-R186 VanDerWaalsContact O-CG 3.27Å; D182-R186 WeakPolarHBondContact O-CG 3.28Å; D182-R186 PolarHBondContact O-N 2.77Å; D182-R186 PolarHBondContact O-NE 2.87Å; E183-R186 PolarHBondContact O-N 2.82Å; R186-L188 VanDerWaalsContact C-N 3.31Å; R186-L188 PolarHBondContact O-N 2.83Å; R186-N189 PolarHBondContact O-N 3.48Å; R186-R190 WeakPolarHBondContact O-CG 3.44Å; R186-R190 PolarHBondContact O-N 3.24Å; R186-E1116 WeakPolarHBondContact CD-OE1 3.35Å; R186-E1116 WeakPolarHBondContact CD-OE2 3.39Å; R186-E1116 IonicContact CZ-OE2 3.74Å; R186-E1116 IonicContact NE-OE2 3.27Å; R186-E1116 IonicContact NH1-OE2 3.46Å; R186-E1116 PolarHBondContact NH1-OE2 2.61Å |
| 187 | N | 87.1 | Confident | 84.4 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 10% | 0.102 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57 | -42.4 | 178.1 | -78.7 | -22.4 | 0 | 0 | 0 | 112.3 | K174 T175 E183 R184 I191 | K174-N187 HydrophobicContact CB-CB 4.09Å; T175-N187 PolarHBondContact O-ND2 3.48Å; T175-N187 VanDerWaalsContact O-ND2 3.17Å; E183-N187 WeakPolarHBondContact O-CB 3.43Å; E183-N187 PolarHBondContact O-N 3.47Å; R184-N187 PolarHBondContact O-N 2.9Å; N187-I191 WeakPolarHBondContact O-CG1 3.44Å; N187-I191 PolarHBondContact O-N 3.26Å |
| 188 | L | 87.2 | Confident | 84.8 | Confident | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.037 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -53 | 175 | 175.4 | 57.3 | 0 | 0 | 0 | 111.9 | F176 R184 R186 R190 I191 Q192 I198 Q211 L212 W222 | F176-L188 HydrophobicContact CD2-CB 3.95Å; F176-L188 HydrophobicContact CD2-CD2 4.32Å; F176-L188 HydrophobicContact CE2-CB 4.02Å; F176-L188 HydrophobicContact CE2-CD2 3.75Å; F176-L188 HydrophobicContact CE2-CG 4.48Å; F176-L188 HydrophobicContact CZ-CD2 4.45Å; R184-L188 VanDerWaalsContact O-CB 3.31Å; R184-L188 WeakPolarHBondContact O-CB 3.19Å; R184-L188 PolarHBondContact O-N 3.11Å; R186-L188 VanDerWaalsContact C-N 3.31Å; R186-L188 PolarHBondContact O-N 2.83Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.84Å; L188-I191 CarbonylContact O-C 3.5Å; L188-I191 PolarHBondContact O-N 2.92Å; L188-I191 VanDerWaalsContact O-N 3.12Å; L188-Q192 HydrophobicContact CD1-CG 3.94Å; L188-Q192 PolarHBondContact O-N 3.37Å; L188-I198 HydrophobicContact CB-CD1 4.34Å; L188-I198 HydrophobicContact CD1-CD1 3.41Å; L188-I198 VanDerWaalsContact CD1-CD1 3.41Å; L188-I198 HydrophobicContact CG-CD1 4.47Å; L188-Q211 HydrophobicContact CD2-CB 4.22Å; L188-L212 HydrophobicContact CD1-CD2 3.85Å; L188-L212 HydrophobicContact CD2-CD2 4.2Å; L188-W222 HydrophobicContact CD1-CZ2 4.38Å |
| 189 | N | 85.5 | Confident | 85.5 | Confident | 57 Ų | 57 | 47.2 Ų | 47.2 | 31% | 0.305 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.8 | -38.7 | 178.8 | -82.9 | -58.4 | 0 | 0 | 0 | 112.7 | T185 R186 I191 Q192 Q193 | T185-N189 WeakPolarHBondContact CG2-ND2 3.37Å; T185-N189 WeakPolarHBondContact O-CB 3.5Å; T185-N189 PolarHBondContact O-N 3.03Å; T185-N189 PolarHBondContact O-ND2 2.82Å; R186-N189 PolarHBondContact O-N 3.48Å; N189-I191 VanDerWaalsContact C-N 3.32Å; N189-I191 PolarHBondContact O-N 3.28Å; N189-Q192 PolarHBondContact O-N 3.12Å; N189-Q193 WeakPolarHBondContact O-CB 3.28Å; N189-Q193 VanDerWaalsContact O-CG 3.26Å; N189-Q193 WeakPolarHBondContact O-CG 3.44Å; N189-Q193 PolarHBondContact O-N 3.33Å |
| 190 | R | 83.2 | Confident | 86.3 | Confident | 30 Ų | 30 | 40.8 Ų | 40.8 | 11% | 0.113 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.8 | -33.7 | 177.6 | -71.3 | 179.6 | -174 | -165.9 | 11.3 | 112.5 | R186 L188 R194 D1113 E1116 | R186-R190 WeakPolarHBondContact O-CG 3.44Å; R186-R190 PolarHBondContact O-N 3.24Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.84Å; R190-R194 PolarHBondContact O-N 3.09Å; R190-D1113 IonicContact CZ-OD1 3.7Å; R190-D1113 IonicContact NH1-OD1 3.45Å; R190-D1113 PolarHBondContact NH1-OD1 3.49Å; R190-D1113 IonicContact NH1-OD2 2.68Å; R190-D1113 IonicContact NH2-OD1 2.72Å; R190-D1113 PolarHBondContact NH2-OD1 2.91Å; R190-E1116 IonicContact CZ-OE1 2.61Å; R190-E1116 IonicContact NE-OE1 2.68Å; R190-E1116 VanDerWaalsContact NH2-CD 3.28Å; R190-E1116 IonicContact NH2-OE1 2.62Å; R190-E1116 PolarHBondContact NH2-OE1 2.97Å; R190-E1116 IonicContact NH2-OE2 3Å |
| 191 | I | 85.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -93.3 | -11.2 | 178.7 | -54.4 | -69.1 | 0 | 0 | 0 | 113.1 | H147 R172 K174 N187 L188 N189 R194 I198 | H147-I191 PolarHBondContact CE1-O 3.34Å; H147-I191 PolarHBondContact ND1-O 3.33Å; R172-I191 HydrophobicContact CG-CD1 3.71Å; K174-I191 HydrophobicContact CB-CD1 4.43Å; K174-I191 HydrophobicContact CB-CG1 4.09Å; K174-I191 HydrophobicContact CG-CD1 3.94Å; K174-I191 HydrophobicContact CG-CG1 4Å; N187-I191 WeakPolarHBondContact O-CG1 3.44Å; N187-I191 PolarHBondContact O-N 3.26Å; L188-I191 CarbonylContact O-C 3.5Å; L188-I191 PolarHBondContact O-N 2.92Å; L188-I191 VanDerWaalsContact O-N 3.12Å; N189-I191 VanDerWaalsContact C-N 3.32Å; N189-I191 PolarHBondContact O-N 3.28Å; I191-R194 CarbonylContact C-O 3.42Å; I191-I198 HydrophobicContact CB-CD1 3.99Å; I191-I198 HydrophobicContact CB-CG1 3.72Å; I191-I198 HydrophobicContact CG1-CG1 4.04Å; I191-I198 HydrophobicContact CG2-CD1 4.21Å; I191-I198 HydrophobicContact CG2-CG1 3.56Å |
| 192 | Q | 84.6 | Confident | 86.9 | Confident | 13 Ų | 13 | 34.2 Ų | 34.2 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -86.4 | -22.2 | 165.5 | -71 | 176.8 | -48.7 | 0 | 0 | 112.2 | L188 N189 S214 F215 F220 | L188-Q192 HydrophobicContact CD1-CG 3.94Å; L188-Q192 PolarHBondContact O-N 3.37Å; N189-Q192 PolarHBondContact O-N 3.12Å; Q192-S214 PolarHBondContact NE2-O 2.96Å; Q192-F215 HydrophobicContact CB-CD2 3.62Å; Q192-F215 HydrophobicContact CB-CE2 3.78Å; Q192-F215 HydrophobicContact CB-CG 4.09Å; Q192-F215 HydrophobicContact CB-CZ 4.38Å; Q192-F215 HydrophobicContact CG-CD2 4.25Å; Q192-F215 VanDerWaalsContact OE1-CD2 3.3Å; Q192-F220 HydrophobicContact CB-CE2 4.03Å; Q192-F220 HydrophobicContact CB-CZ 4.24Å; Q192-F220 HydrophobicContact CG-CD1 4.42Å; Q192-F220 HydrophobicContact CG-CD2 4.29Å; Q192-F220 HydrophobicContact CG-CE1 4.09Å; Q192-F220 HydrophobicContact CG-CE2 3.95Å; Q192-F220 HydrophobicContact CG-CZ 3.85Å |
| 193 | Q | 81 | Confident | 87.2 | Confident | 112 Ų | 112 | 34.9 Ų | 34.9 | 52% | 0.523 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -94.4 | -20.3 | 177.3 | -70.7 | 178.1 | 40.1 | 0 | 0 | 114.5 | N189 F215 | N189-Q193 WeakPolarHBondContact O-CB 3.28Å; N189-Q193 VanDerWaalsContact O-CG 3.26Å; N189-Q193 WeakPolarHBondContact O-CG 3.44Å; N189-Q193 PolarHBondContact O-N 3.33Å; Q193-F215 HydrophobicContact CG-CE2 4.09Å; Q193-F215 HydrophobicContact CG-CZ 3.56Å |
| 194 | R | 78.2 | Confident | 87.4 | Confident | 51 Ų | 51 | 32.1 Ų | 32.1 | 19% | 0.192 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -133.1 | 162.1 | 174.7 | -66 | -171.1 | 179.8 | 119.1 | 9.3 | 109.8 | H147 R190 I191 E1112 | H147-R194 PolarHBondContact CE1-O 3.22Å; H147-R194 PolarHBondContact ND1-O 3.08Å; R190-R194 PolarHBondContact O-N 3.09Å; I191-R194 CarbonylContact C-O 3.42Å; R194-E1112 IonicContact CZ-OE1 2.76Å; R194-E1112 IonicContact CZ-OE2 2.78Å; R194-E1112 IonicContact NH1-OE1 3.97Å; R194-E1112 IonicContact NH1-OE2 3.89Å; R194-E1112 PolarHBondContact NH1-OE2 3.4Å; R194-E1112 IonicContact NH2-OE1 2.9Å; R194-E1112 PolarHBondContact NH2-OE1 3.43Å; R194-E1112 IonicContact NH2-OE2 2.7Å; R194-E1112 PolarHBondContact NH2-OE2 3Å |
| 195 | N | 83.6 | Confident | 87.5 | Confident | 55 Ų | 55 | 30.6 Ų | 30.6 | 29% | 0.294 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -65.9 | 151 | 171.7 | 57.2 | 11 | 0 | 0 | 0 | 112.5 | F140 N146 | F140-N195 HydrophobicContact CE1-CB 4.25Å; N146-N195 HydrophobicContact CB-CB 4.11Å; N146-N195 CarbonylContact O-C 3.6Å; N146-N195 WeakPolarHBondContact O-CA 3.2Å; N146-N195 VanDerWaalsContact O-CB 3.29Å; N146-N195 WeakPolarHBondContact O-CB 3.37Å |
| 196 | G | 87.4 | Confident | 87.7 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.2 | -166.6 | -180 | 0 | 0 | 0 | 0 | 0 | 114.2 | N146 V148 R172 | N146-G196 PolarHBondContact O-N 3.47Å; V148-G196 PolarHBondContact N-O 2.67Å; R172-G196 WeakPolarHBondContact O-CA 3.18Å |
| 197 | V | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 129 | -170.4 | -172.1 | 0 | 0 | 0 | 0 | 110.9 | F140 V148 L150 M171 R172 V173 K174 | F140-V197 HydrophobicContact CE2-CG2 3.76Å; F140-V197 HydrophobicContact CZ-CG2 4.05Å; V148-V197 HydrophobicContact CB-CG1 4.2Å; V148-V197 HydrophobicContact CB-CG2 4.2Å; V148-V197 HydrophobicContact CG1-CG1 4.25Å; V148-V197 WeakPolarHBondContact O-CA 3.31Å; L150-V197 HydrophobicContact CD1-CG1 3.59Å; L150-V197 HydrophobicContact CG-CG1 4.28Å; M171-V197 HydrophobicContact CE-CG2 4.23Å; M171-V197 HydrophobicContact CG-CG2 3.97Å; M171-V197 HydrophobicContact SD-CG2 3.7Å; R172-V197 PolarHBondContact O-N 3.35Å; V173-V197 WeakPolarHBondContact CA-O 3.44Å; V173-V197 HydrophobicContact CG2-CB 4.23Å; K174-V197 PolarHBondContact N-O 3.27Å |
| 198 | I | 93.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 130.6 | 168.2 | -60.4 | -164 | 0 | 0 | 0 | 110.2 | V148 L149 L150 K174 F176 L188 I191 W222 | V148-I198 PolarHBondContact O-N 2.96Å; L149-I198 HydrophobicContact CD1-CB 3.99Å; L149-I198 HydrophobicContact CD1-CG2 3.93Å; L150-I198 PolarHBondContact N-O 2.74Å; K174-I198 WeakPolarHBondContact O-CA 3.48Å; F176-I198 HydrophobicContact CB-CG2 3.66Å; L188-I198 HydrophobicContact CB-CD1 4.34Å; L188-I198 HydrophobicContact CD1-CD1 3.41Å; L188-I198 VanDerWaalsContact CD1-CD1 3.41Å; L188-I198 HydrophobicContact CG-CD1 4.47Å; I191-I198 HydrophobicContact CB-CD1 3.99Å; I191-I198 HydrophobicContact CB-CG1 3.72Å; I191-I198 HydrophobicContact CG1-CG1 4.04Å; I191-I198 HydrophobicContact CG2-CD1 4.21Å; I191-I198 HydrophobicContact CG2-CG1 3.56Å; I198-W222 HydrophobicContact CB-CH2 4.45Å; I198-W222 HydrophobicContact CD1-CH2 3.63Å; I198-W222 HydrophobicContact CD1-CZ2 4.4Å; I198-W222 HydrophobicContact CD1-CZ3 4.49Å; I198-W222 HydrophobicContact CG1-CH2 3.96Å; I198-W222 HydrophobicContact CG1-CZ3 4.35Å |
| 199 | I | 94.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 125.4 | 164.2 | -65 | 170.4 | 0 | 0 | 0 | 109.4 | L150 M152 I157 W160 V161 F164 V173 K174 T175 F176 | L150-I199 HydrophobicContact CB-CG1 4.25Å; L150-I199 HydrophobicContact CD1-CG1 4.32Å; L150-I199 CarbonylContact O-C 3.53Å; L150-I199 WeakPolarHBondContact O-CA 3.33Å; M152-I199 HydrophobicContact CE-CB 4.46Å; M152-I199 HydrophobicContact CE-CD1 4.41Å; M152-I199 HydrophobicContact CE-CG1 4.12Å; M152-I199 HydrophobicContact CE-CG2 3.66Å; M152-I199 HydrophobicContact CG-CG2 4.16Å; M152-I199 HydrophobicContact SD-CG2 3.6Å; M152-I199 VanDerWaalsContact SD-CG2 3.6Å; I157-I199 HydrophobicContact CB-CG2 4.49Å; I157-I199 HydrophobicContact CG1-CG2 4.2Å; I157-I199 HydrophobicContact CG2-CG2 4.07Å; W160-I199 HydrophobicContact CB-CD1 4.15Å; V161-I199 HydrophobicContact CG2-CD1 3.78Å; F164-I199 HydrophobicContact CD2-CD1 4.05Å; F164-I199 HydrophobicContact CE2-CD1 3.91Å; F164-I199 HydrophobicContact CE2-CG1 4.44Å; V173-I199 HydrophobicContact CG1-CD1 3.62Å; V173-I199 HydrophobicContact CG1-CG1 4.02Å; K174-I199 PolarHBondContact O-N 2.72Å; T175-I199 HydrophobicContact CG2-CB 4.3Å; F176-I199 PolarHBondContact N-O 2.81Å |
| 200 | T | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 176.6 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 111.3 | L149 L150 I151 M152 L205 L212 | L149-T200 HydrophobicContact CD1-CG2 3.79Å; L149-T200 HydrophobicContact CG-CG2 4.46Å; L150-T200 PolarHBondContact O-N 3Å; I151-T200 WeakPolarHBondContact CA-O 3.44Å; I151-T200 HydrophobicContact CB-CG2 4.3Å; I151-T200 HydrophobicContact CG1-CG2 3.49Å; I151-T200 VanDerWaalsContact CG1-CG2 3.49Å; M152-T200 PolarHBondContact N-O 2.91Å; T200-L205 HydrophobicContact CG2-CD1 4.39Å; T200-L212 HydrophobicContact CG2-CD1 4.48Å |
| 201 | T | 92.7 | Very high | 88 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.006 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 156 | 178.2 | 74 | 0 | 0 | 0 | 0 | 112.8 | M152 T154 I157 Q203 M204 L205 | M152-T201 VanDerWaalsContact O-CA 3.26Å; M152-T201 WeakPolarHBondContact O-CA 3.25Å; M152-T201 WeakPolarHBondContact O-CB 3.37Å; T154-T201 HydrophobicContact CG2-CG2 4.37Å; I157-T201 HydrophobicContact CD1-CG2 3.61Å; I157-T201 HydrophobicContact CG1-CG2 4.15Å; T201-Q203 PolarHBondContact O-N 2.86Å; T201-Q203 VanDerWaalsContact O-N 3.16Å; T201-M204 PolarHBondContact O-N 3.2Å; T201-M204 VanDerWaalsContact O-N 3.11Å; T201-M204 WeakPolarHBondContact OG1-CG 3.5Å; T201-M204 PolarHBondContact OG1-N 3.21Å; T201-L205 WeakPolarHBondContact O-CB 3.38Å; T201-L205 PolarHBondContact O-N 3.03Å |
| 202 | Y | 90.7 | Very high | 88.1 | Confident | 20 Ų | 20 | 40 Ų | 40 | 8% | 0.078 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -52.4 | -34.8 | 173.6 | -68.9 | -70.7 | 0 | 0 | 0 | 113.4 | I151 L205 I206 D228 K232 I233 | I151-Y202 HydrophobicContact CG2-CD1 3.54Å; I151-Y202 HydrophobicContact CG2-CD2 4.28Å; I151-Y202 HydrophobicContact CG2-CE1 3.55Å; I151-Y202 HydrophobicContact CG2-CE2 4.31Å; I151-Y202 HydrophobicContact CG2-CG 3.92Å; Y202-L205 VanDerWaalsContact O-CB 3.31Å; Y202-L205 WeakPolarHBondContact O-CB 3.16Å; Y202-L205 PolarHBondContact O-N 3.17Å; Y202-I206 WeakPolarHBondContact O-CG1 3.25Å; Y202-I206 PolarHBondContact O-N 3.47Å; Y202-D228 WeakPolarHBondContact CE2-O 3.31Å; Y202-D228 PolarHBondContact OH-O 3.16Å; Y202-K232 HydrophobicContact CD2-CB 4.15Å; Y202-K232 HydrophobicContact CD2-CG 4.41Å; Y202-K232 HydrophobicContact CE1-CB 4.43Å; Y202-K232 HydrophobicContact CE2-CB 3.8Å; Y202-K232 HydrophobicContact CE2-CG 4.09Å; Y202-I233 HydrophobicContact CD1-CG2 4.16Å; Y202-I233 HydrophobicContact CE1-CG2 3.64Å |
| 203 | Q | 88.6 | Confident | 88.2 | Confident | 109 Ų | 109 | 40.1 Ų | 40.1 | 51% | 0.509 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -76 | -38.2 | 178.6 | -168.7 | 61.3 | 29.5 | 0 | 0 | 112.6 | T201 L205 | T201-Q203 PolarHBondContact O-N 2.86Å; T201-Q203 VanDerWaalsContact O-N 3.16Å; Q203-L205 VanDerWaalsContact C-N 3.27Å |
| 204 | M | 89.2 | Confident | 88.4 | Confident | 32 Ų | 32 | 36.9 Ų | 36.9 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66 | -34.1 | 171.6 | -67.5 | -62.4 | 98.2 | 0 | 0 | 111.1 | F176 T201 I206 N207 N208 | F176-M204 HydrophobicContact CD1-CB 4.44Å; T201-M204 PolarHBondContact O-N 3.2Å; T201-M204 VanDerWaalsContact O-N 3.11Å; T201-M204 WeakPolarHBondContact OG1-CG 3.5Å; T201-M204 PolarHBondContact OG1-N 3.21Å; M204-I206 PolarHBondContact O-N 2.97Å; M204-N207 PolarHBondContact O-N 3.5Å; M204-N208 WeakPolarHBondContact O-CB 3.3Å; M204-N208 PolarHBondContact O-N 3.28Å; M204-N208 PolarHBondContact O-OD1 3.17Å |
| 205 | L | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -56.8 | -50.1 | 177.1 | -155.7 | 73 | 0 | 0 | 0 | 112.1 | I151 T200 T201 Y202 Q203 N207 N208 W209 L212 C243 A244 I247 | I151-L205 HydrophobicContact CD1-CD1 3.67Å; I151-L205 HydrophobicContact CD1-CD2 3.92Å; I151-L205 HydrophobicContact CD1-CG 4.47Å; I151-L205 HydrophobicContact CG1-CD1 4.03Å; I151-L205 HydrophobicContact CG2-CD2 4.34Å; T200-L205 HydrophobicContact CG2-CD1 4.39Å; T201-L205 WeakPolarHBondContact O-CB 3.38Å; T201-L205 PolarHBondContact O-N 3.03Å; Y202-L205 VanDerWaalsContact O-CB 3.31Å; Y202-L205 WeakPolarHBondContact O-CB 3.16Å; Y202-L205 PolarHBondContact O-N 3.17Å; Q203-L205 VanDerWaalsContact C-N 3.27Å; L205-N207 PolarHBondContact O-N 3.35Å; L205-N208 PolarHBondContact O-N 2.96Å; L205-W209 VanDerWaalsContact O-CB 3.27Å; L205-W209 WeakPolarHBondContact O-CB 3.43Å; L205-W209 PolarHBondContact O-N 2.85Å; L205-L212 HydrophobicContact CD1-CD1 3.88Å; L205-C243 HydrophobicContact CG-CB 4.49Å; L205-A244 HydrophobicContact CD2-CB 3.76Å; L205-I247 HydrophobicContact CD1-CD1 3.5Å; L205-I247 HydrophobicContact CG-CD1 4.36Å |
| 206 | I | 88.9 | Confident | 88.2 | Confident | 40 Ų | 40 | 42.9 Ų | 42.9 | 21% | 0.205 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.9 | -40.2 | -179.9 | -63.8 | 163.7 | 0 | 0 | 0 | 111.2 | Y202 M204 K239 | Y202-I206 WeakPolarHBondContact O-CG1 3.25Å; Y202-I206 PolarHBondContact O-N 3.47Å; M204-I206 PolarHBondContact O-N 2.97Å; I206-K239 HydrophobicContact CD1-CB 4.34Å; I206-K239 HydrophobicContact CG1-CB 4.27Å; I206-K239 HydrophobicContact CG2-CB 4.31Å |
| 207 | N | 87.1 | Confident | 87.5 | Confident | 106 Ų | 106 | 46.5 Ų | 46.5 | 57% | 0.567 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -85.9 | -23.2 | -174.5 | -68 | -2.5 | 0 | 0 | 0 | 114 | M204 L205 | M204-N207 PolarHBondContact O-N 3.5Å; L205-N207 PolarHBondContact O-N 3.35Å |
| 208 | N | 88.1 | Confident | 86.9 | Confident | 25 Ų | 25 | 52.2 Ų | 52.2 | 13% | 0.134 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -132.6 | 8 | -167.5 | -64.5 | 99.2 | 0 | 0 | 0 | 114.7 | F176 M204 L205 Q210 Q211 L212 | F176-N208 HydrophobicContact CE1-CB 3.65Å; F176-N208 HydrophobicContact CZ-CB 3.94Å; M204-N208 WeakPolarHBondContact O-CB 3.3Å; M204-N208 PolarHBondContact O-N 3.28Å; M204-N208 PolarHBondContact O-OD1 3.17Å; L205-N208 PolarHBondContact O-N 2.96Å; N208-Q210 PolarHBondContact O-N 3.36Å; N208-Q210 VanDerWaalsContact O-N 3.12Å; N208-Q211 PolarHBondContact ND2-OE1 2.95Å; N208-Q211 WeakPolarHBondContact O-CB 3.47Å; N208-Q211 PolarHBondContact O-N 3.47Å; N208-L212 PolarHBondContact O-N 2.73Å |
| 209 | W | 85.9 | Confident | 86.3 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -51.5 | -38.2 | -178.1 | 66.3 | -86.1 | 0 | 0 | 0 | 113.8 | L205 Q211 L212 S213 C243 A246 I247 | L205-W209 VanDerWaalsContact O-CB 3.27Å; L205-W209 WeakPolarHBondContact O-CB 3.43Å; L205-W209 PolarHBondContact O-N 2.85Å; W209-Q211 PolarHBondContact O-N 3.41Å; W209-L212 CarbonylContact O-C 3.51Å; W209-L212 WeakPolarHBondContact O-CA 3.34Å; W209-L212 PolarHBondContact O-N 2.66Å; W209-S213 PolarHBondContact O-N 3.14Å; W209-S213 PolarHBondContact O-OG 3.28Å; W209-C243 HydrophobicContact CB-CB 4.14Å; W209-C243 HydrophobicContact CG-CB 4.06Å; W209-A246 HydrophobicContact CE3-CB 3.9Å; W209-A246 HydrophobicContact CZ3-CB 3.93Å; W209-I247 HydrophobicContact CB-CD1 4.48Å; W209-I247 HydrophobicContact CB-CG1 4.47Å |
| 210 | Q | 87.4 | Confident | 86 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 60% | 0.598 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59.5 | -30.6 | 177.5 | -66 | -178.5 | -29.9 | 0 | 0 | 113.4 | N208 S213 S214 | N208-Q210 PolarHBondContact O-N 3.36Å; N208-Q210 VanDerWaalsContact O-N 3.12Å; Q210-S213 WeakPolarHBondContact CA-OG 3.37Å; Q210-S213 PolarHBondContact O-OG 3.18Å; Q210-S214 PolarHBondContact O-OG 3.43Å |
| 211 | Q | 86.1 | Confident | 85.9 | Confident | 64 Ų | 64 | 62.8 Ų | 62.8 | 30% | 0.299 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -80.2 | -27.9 | 175.5 | -58.1 | -174.8 | -57.8 | 0 | 0 | 111.6 | L188 N208 W209 S214 | L188-Q211 HydrophobicContact CD2-CB 4.22Å; N208-Q211 PolarHBondContact ND2-OE1 2.95Å; N208-Q211 WeakPolarHBondContact O-CB 3.47Å; N208-Q211 PolarHBondContact O-N 3.47Å; W209-Q211 PolarHBondContact O-N 3.41Å; Q211-S214 VanDerWaalsContact O-O 3.07Å |
| 212 | L | 86.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -81.9 | -25.2 | 176.4 | -61.9 | 171 | 0 | 0 | 0 | 112.3 | F176 L188 T200 L205 N208 W209 W222 I247 | F176-L212 HydrophobicContact CD1-CD2 4.37Å; F176-L212 HydrophobicContact CE1-CD2 4.48Å; F176-L212 HydrophobicContact CG-CD2 4.39Å; L188-L212 HydrophobicContact CD1-CD2 3.85Å; L188-L212 HydrophobicContact CD2-CD2 4.2Å; T200-L212 HydrophobicContact CG2-CD1 4.48Å; L205-L212 HydrophobicContact CD1-CD1 3.88Å; N208-L212 PolarHBondContact O-N 2.73Å; W209-L212 CarbonylContact O-C 3.51Å; W209-L212 WeakPolarHBondContact O-CA 3.34Å; W209-L212 PolarHBondContact O-N 2.66Å; L212-W222 PolarHBondContact O-NE1 2.8Å; L212-I247 HydrophobicContact CB-CD1 4.12Å; L212-I247 HydrophobicContact CD1-CD1 4.39Å |
| 213 | S | 86.9 | Confident | 86 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 12% | 0.119 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -90.5 | 0.9 | 176.3 | 67.9 | 0 | 0 | 0 | 0 | 113.9 | W209 Q210 F220 | W209-S213 PolarHBondContact O-N 3.14Å; W209-S213 PolarHBondContact O-OG 3.28Å; Q210-S213 WeakPolarHBondContact CA-OG 3.37Å; Q210-S213 PolarHBondContact O-OG 3.18Å; S213-F220 PolarHBondContact O-N 3.34Å |
| 214 | S | 85.7 | Confident | 86.3 | Confident | 44 Ų | 44 | 59 Ų | 59 | 31% | 0.308 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 152.3 | -179.5 | 66.6 | 0 | 0 | 0 | 0 | 113.3 | Q192 Q210 Q211 Q218 | Q192-S214 PolarHBondContact NE2-O 2.96Å; Q210-S214 PolarHBondContact O-OG 3.43Å; Q211-S214 VanDerWaalsContact O-O 3.07Å; S214-Q218 CarbonylContact C-O 3.54Å; S214-Q218 WeakPolarHBondContact CA-O 3.47Å; S214-Q218 WeakPolarHBondContact CB-O 3.26Å |
| 215 | F | 81.3 | Confident | 86.6 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 16% | 0.162 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 127.2 | 172.8 | -179.6 | -120 | 0 | 0 | 0 | 109.1 | Q192 Q193 G217 Q218 F220 | Q192-F215 HydrophobicContact CB-CD2 3.62Å; Q192-F215 HydrophobicContact CB-CE2 3.78Å; Q192-F215 HydrophobicContact CB-CG 4.09Å; Q192-F215 HydrophobicContact CB-CZ 4.38Å; Q192-F215 HydrophobicContact CG-CD2 4.25Å; Q192-F215 VanDerWaalsContact OE1-CD2 3.3Å; Q193-F215 HydrophobicContact CG-CE2 4.09Å; Q193-F215 HydrophobicContact CG-CZ 3.56Å; F215-G217 PolarHBondContact O-N 2.99Å; F215-Q218 PolarHBondContact N-O 3.15Å; F215-Q218 PolarHBondContact O-N 3.5Å; F215-F220 HydrophobicContact CB-CB 3.99Å; F215-F220 HydrophobicContact CB-CD2 3.7Å; F215-F220 HydrophobicContact CB-CG 4.15Å; F215-F220 HydrophobicContact CG-CD2 4.32Å |
| 216 | R | 75.3 | Confident | 86.9 | Confident | 195 Ų | 195 | 57.5 Ų | 57.5 | 74% | 0.736 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 26.8 | -178.4 | -59.6 | -178.6 | 178.1 | -179.6 | 1.8 | 115 | ||
| 217 | G | 72.7 | Confident | 87.2 | Confident | 78 Ų | 78 | 55.6 Ų | 55.6 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.1 | 0.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F215 | F215-G217 PolarHBondContact O-N 2.99Š|
| 218 | Q | 79.9 | Confident | 87.4 | Confident | 119 Ų | 119 | 51 Ų | 51 | 56% | 0.556 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 161.1 | 170.8 | -67.9 | 180 | -20.6 | 0 | 0 | 111 | S214 F215 W730 | S214-Q218 CarbonylContact C-O 3.54Å; S214-Q218 WeakPolarHBondContact CA-O 3.47Å; S214-Q218 WeakPolarHBondContact CB-O 3.26Å; F215-Q218 PolarHBondContact N-O 3.15Å; F215-Q218 PolarHBondContact O-N 3.5Å; Q218-W730 HydrophobicContact CG-CH2 4.43Å |
| 219 | E | 82.6 | Confident | 87.5 | Confident | 128 Ų | 128 | 50.7 Ų | 50.7 | 60% | 0.598 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 130.3 | 173.8 | -172.7 | 171.7 | -170.6 | 0 | 0 | 110.2 | P248 | E219-P248 HydrophobicContact CG-CB 4.37Å; E219-P248 HydrophobicContact CG-CG 3.64Å; E219-P248 WeakPolarHBondContact OE1-CG 3.26Å |
| 220 | F | 88.4 | Confident | 87.6 | Confident | 23 Ų | 23 | 46.9 Ų | 46.9 | 10% | 0.101 | 24% | 0.244 | C | C | . | . | trans | -110 | 121.7 | -178.7 | -174.5 | -91.4 | 0 | 0 | 0 | 110.5 | H147 Q192 S213 F215 W222 | H147-F220 HydrophobicContact CB-CE1 4.3Å; H147-F220 HydrophobicContact CB-CZ 4.04Å; H147-F220 AromaticContact CG-CZ 3.79Å; H147-F220 AromaticContact ND1-CZ 3.98Å; Q192-F220 HydrophobicContact CB-CE2 4.03Å; Q192-F220 HydrophobicContact CB-CZ 4.24Å; Q192-F220 HydrophobicContact CG-CD1 4.42Å; Q192-F220 HydrophobicContact CG-CD2 4.29Å; Q192-F220 HydrophobicContact CG-CE1 4.09Å; Q192-F220 HydrophobicContact CG-CE2 3.95Å; Q192-F220 HydrophobicContact CG-CZ 3.85Å; S213-F220 PolarHBondContact O-N 3.34Å; F215-F220 HydrophobicContact CB-CB 3.99Å; F215-F220 HydrophobicContact CB-CD2 3.7Å; F215-F220 HydrophobicContact CB-CG 4.15Å; F215-F220 HydrophobicContact CG-CD2 4.32Å; F220-W222 HydrophobicContact CD1-CD2 4.2Å; F220-W222 AromaticContact CD1-CE2 3.7Å; F220-W222 HydrophobicContact CD1-CG 4.41Å; F220-W222 AromaticContact CD1-CZ2 3.99Å; F220-W222 HydrophobicContact CD1-CZ2 3.99Å; F220-W222 AromaticContact CD1-NE1 3.64Å; F220-W222 AromaticContact CE1-CD2 3.76Å; F220-W222 HydrophobicContact CE1-CD2 3.76Å; F220-W222 AromaticContact CE1-CE2 3.57Å; F220-W222 HydrophobicContact CE1-CE3 4.07Å; F220-W222 HydrophobicContact CE1-CG 4.27Å; F220-W222 AromaticContact CE1-CH2 3.99Å; F220-W222 HydrophobicContact CE1-CH2 3.99Å; F220-W222 AromaticContact CE1-CZ2 3.7Å; F220-W222 HydrophobicContact CE1-CZ2 3.7Å; F220-W222 HydrophobicContact CE1-CZ3 4.18Å; F220-W222 AromaticContact CE1-NE1 3.98Å | ||
| 221 | V | 90.3 | Very high | 87.4 | Confident | 74 Ų | 74 | 41.5 Ų | 41.5 | 45% | 0.448 | 22% | 0.218 | S | C | . | . | trans | -99.3 | 126.5 | -178.7 | -173 | 0 | 0 | 0 | 0 | 110.2 | P248 | V221-P248 HydrophobicContact CB-CB 4.42Å; V221-P248 HydrophobicContact CG1-CB 4.49Å; V221-P248 HydrophobicContact CG2-CB 4Å | ||
| 222 | W | 93.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 136.6 | 174.8 | -65.8 | 86.6 | 0 | 0 | 0 | 111 | H147 L149 L188 I198 L212 F220 Y224 V225 I247 P248 A249 S250 | H147-W222 HydrophobicContact CB-CE3 3.93Å; H147-W222 HydrophobicContact CB-CZ3 4.06Å; L149-W222 HydrophobicContact CB-CD2 3.74Å; L149-W222 HydrophobicContact CB-CE3 3.72Å; L149-W222 HydrophobicContact CB-CG 4.21Å; L149-W222 HydrophobicContact CB-CZ3 4.18Å; L149-W222 HydrophobicContact CD2-CD2 4.49Å; L188-W222 HydrophobicContact CD1-CZ2 4.38Å; I198-W222 HydrophobicContact CB-CH2 4.45Å; I198-W222 HydrophobicContact CD1-CH2 3.63Å; I198-W222 HydrophobicContact CD1-CZ2 4.4Å; I198-W222 HydrophobicContact CD1-CZ3 4.49Å; I198-W222 HydrophobicContact CG1-CH2 3.96Å; I198-W222 HydrophobicContact CG1-CZ3 4.35Å; L212-W222 PolarHBondContact O-NE1 2.8Å; F220-W222 HydrophobicContact CD1-CD2 4.2Å; F220-W222 AromaticContact CD1-CE2 3.7Å; F220-W222 HydrophobicContact CD1-CG 4.41Å; F220-W222 AromaticContact CD1-CZ2 3.99Å; F220-W222 HydrophobicContact CD1-CZ2 3.99Å; F220-W222 AromaticContact CD1-NE1 3.64Å; F220-W222 AromaticContact CE1-CD2 3.76Å; F220-W222 HydrophobicContact CE1-CD2 3.76Å; F220-W222 AromaticContact CE1-CE2 3.57Å; F220-W222 HydrophobicContact CE1-CE3 4.07Å; F220-W222 HydrophobicContact CE1-CG 4.27Å; F220-W222 AromaticContact CE1-CH2 3.99Å; F220-W222 HydrophobicContact CE1-CH2 3.99Å; F220-W222 AromaticContact CE1-CZ2 3.7Å; F220-W222 HydrophobicContact CE1-CZ2 3.7Å; F220-W222 HydrophobicContact CE1-CZ3 4.18Å; F220-W222 AromaticContact CE1-NE1 3.98Å; W222-Y224 VanDerWaalsContact C-N 3.31Å; W222-Y224 PolarHBondContact O-N 3.42Å; W222-V225 HydrophobicContact CB-CG2 3.89Å; W222-V225 HydrophobicContact CG-CG2 4.28Å; W222-I247 HydrophobicContact CG-CG2 4.49Å; W222-P248 PolarHBondContact N-O 3.24Å; W222-A249 CarbonylContact O-C 3.6Å; W222-A249 VanDerWaalsContact O-CA 3.24Å; W222-A249 WeakPolarHBondContact O-CA 3.49Å; W222-S250 PolarHBondContact O-N 3.48Å |
| 223 | D | 92.8 | Very high | 87.3 | Confident | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | -39.6 | 176.6 | -62.5 | -47.5 | 0 | 0 | 0 | 111.1 | V145 N146 H147 N251 | V145-D223 HydrophobicContact CG1-CB 4.02Å; V145-D223 HydrophobicContact CG2-CB 4.32Å; N146-D223 WeakPolarHBondContact CA-OD2 3.4Å; N146-D223 PolarHBondContact N-OD2 3.17Å; H147-D223 PolarHBondContact N-OD2 2.96Å; H147-D223 PolarHBondContact O-N 3.01Å; D223-N251 WeakPolarHBondContact O-CB 3.49Å; D223-N251 PolarHBondContact O-N 2.92Å; D223-N251 PolarHBondContact O-ND2 3.04Å |
| 224 | Y | 94.4 | Very high | 87 | Confident | 11 Ų | 11 | 45.1 Ų | 45.1 | 4% | 0.043 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 127.7 | 174.5 | -88.8 | -91.8 | 0 | 0 | 0 | 111.6 | Y111 F135 M139 V145 L149 W222 I226 N251 | Y111-Y224 HydrophobicContact CD2-CE2 4.16Å; Y111-Y224 WeakPolarHBondContact CD2-OH 3.48Å; F135-Y224 HydrophobicContact CE1-CE1 4.12Å; F135-Y224 HydrophobicContact CZ-CE1 4.39Å; F135-Y224 HydrophobicContact CZ-CE2 4.48Å; F135-Y224 AromaticContact CZ-CZ 3.92Å; M139-Y224 HydrophobicContact CE-CE2 4.44Å; V145-Y224 HydrophobicContact CG1-CD2 4.48Å; V145-Y224 HydrophobicContact CG2-CD2 3.7Å; V145-Y224 HydrophobicContact CG2-CE2 3.75Å; L149-Y224 PolarHBondContact N-O 3.47Å; W222-Y224 VanDerWaalsContact C-N 3.31Å; W222-Y224 PolarHBondContact O-N 3.42Å; Y224-I226 HydrophobicContact CD1-CD1 4.47Å; Y224-I226 HydrophobicContact CD1-CG1 4.34Å; Y224-N251 WeakPolarHBondContact CA-O 3.46Å; Y224-N251 HydrophobicContact CD1-CB 3.71Å; Y224-N251 HydrophobicContact CD2-CB 4.19Å; Y224-N251 HydrophobicContact CE1-CB 3.5Å; Y224-N251 HydrophobicContact CE2-CB 4.01Å; Y224-N251 HydrophobicContact CG-CB 4.04Å |
| 225 | V | 95.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 120.5 | 159.6 | 175.6 | 0 | 0 | 0 | 0 | 108.3 | L149 I151 W222 L227 I247 A249 N251 R252 L253 | L149-V225 HydrophobicContact CB-CG2 4.3Å; L149-V225 HydrophobicContact CD2-CG2 4.35Å; L149-V225 WeakPolarHBondContact O-CA 3.43Å; I151-V225 HydrophobicContact CD1-CG1 3.9Å; W222-V225 HydrophobicContact CB-CG2 3.89Å; W222-V225 HydrophobicContact CG-CG2 4.28Å; V225-L227 HydrophobicContact CG1-CD2 4.02Å; V225-I247 HydrophobicContact CG2-CG2 4.12Å; V225-A249 HydrophobicContact CB-CB 4.12Å; V225-A249 HydrophobicContact CG2-CB 3.53Å; V225-N251 PolarHBondContact N-O 2.89Å; V225-R252 HydrophobicContact CB-CG 4.48Å; V225-R252 WeakPolarHBondContact O-CA 3.37Å; V225-L253 PolarHBondContact O-N 2.91Å |
| 226 | I | 95.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 121.4 | -175.3 | -50.8 | -176.1 | 0 | 0 | 0 | 109.1 | I132 L136 V148 L149 L150 I151 Y224 L253 L255 | I132-I226 HydrophobicContact CG2-CD1 3.89Å; I132-I226 HydrophobicContact CG2-CG2 4.47Å; L136-I226 HydrophobicContact CD1-CD1 4.26Å; L136-I226 HydrophobicContact CD2-CD1 4.23Å; V148-I226 HydrophobicContact CG1-CD1 4.01Å; V148-I226 HydrophobicContact CG1-CG1 4.36Å; L149-I226 PolarHBondContact O-N 3.41Å; L150-I226 WeakPolarHBondContact CA-O 3.37Å; L150-I226 HydrophobicContact CD2-CB 3.67Å; L150-I226 HydrophobicContact CD2-CD1 4.42Å; L150-I226 HydrophobicContact CD2-CG2 3.71Å; L150-I226 HydrophobicContact CG-CB 4.41Å; I151-I226 PolarHBondContact N-O 3.22Å; Y224-I226 HydrophobicContact CD1-CD1 4.47Å; Y224-I226 HydrophobicContact CD1-CG1 4.34Å; I226-L253 WeakPolarHBondContact CA-O 3.4Å; I226-L253 HydrophobicContact CD1-CD2 4.38Å; I226-L253 HydrophobicContact CG1-CB 4.19Å; I226-L253 HydrophobicContact CG2-CB 4.32Å; I226-L253 HydrophobicContact CG2-CD2 4.27Å; I226-L253 HydrophobicContact CG2-CG 4.43Å; I226-L255 HydrophobicContact CG2-CD1 4Å; I226-L255 HydrophobicContact CG2-CD2 4.29Å; I226-L255 HydrophobicContact CG2-CG 4.05Å |
| 227 | L | 94.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 118.2 | 178.9 | -52.9 | -166 | 0 | 0 | 0 | 110.8 | I151 V225 A230 I233 L253 L254 L255 F273 | I151-L227 HydrophobicContact CB-CD2 3.66Å; I151-L227 HydrophobicContact CD1-CD2 3.42Å; I151-L227 VanDerWaalsContact CD1-CD2 3.42Å; I151-L227 HydrophobicContact CG1-CD2 4.08Å; I151-L227 HydrophobicContact CG2-CD2 4.15Å; V225-L227 HydrophobicContact CG1-CD2 4.02Å; L227-A230 HydrophobicContact CB-CB 4.16Å; L227-I233 HydrophobicContact CD1-CD1 3.39Å; L227-I233 HydrophobicContact CD1-CG1 3.82Å; L227-I233 HydrophobicContact CD1-CG2 4.29Å; L227-L253 PolarHBondContact N-O 3.28Å; L227-L254 HydrophobicContact CB-CD2 3.7Å; L227-L254 HydrophobicContact CD1-CD2 3.55Å; L227-L254 HydrophobicContact CG-CD2 3.63Å; L227-L255 PolarHBondContact O-N 3.36Å; L227-F273 HydrophobicContact CD1-CD1 4.31Å; L227-F273 HydrophobicContact CD1-CE1 3.74Å; L227-F273 HydrophobicContact CD1-CE2 4.42Å; L227-F273 HydrophobicContact CD1-CZ 3.82Å; L227-F273 HydrophobicContact CG-CE1 4.11Å; L227-F273 HydrophobicContact CG-CZ 4.34Å |
| 228 | D | 92.9 | Very high | 87.8 | Confident | 10 Ų | 10 | 39.1 Ų | 39.1 | 5% | 0.053 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 141.1 | 170.3 | -168.4 | 25.8 | 0 | 0 | 0 | 111.7 | I151 M152 L156 W160 Y202 A230 L255 | I151-D228 PolarHBondContact O-N 2.88Å; M152-D228 HydrophobicContact CB-CB 3.95Å; L156-D228 WeakPolarHBondContact CD1-OD2 3.47Å; W160-D228 HydrophobicContact CZ2-CB 3.98Å; W160-D228 PolarHBondContact NE1-OD2 3.06Å; Y202-D228 WeakPolarHBondContact CE2-O 3.31Å; Y202-D228 PolarHBondContact OH-O 3.16Å; D228-A230 VanDerWaalsContact C-N 3.31Å; D228-A230 PolarHBondContact O-N 3.49Å; D228-L255 HydrophobicContact CB-CD1 4.21Å |
| 229 | E | 88.4 | Confident | 88.2 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 8% | 0.084 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.1 | 50.7 | -165 | -65.9 | -70.1 | -166.6 | 0 | 0 | 112.8 | M124 P153 L156 H231 K232 L255 | M124-E229 WeakPolarHBondContact CE-OE1 3.23Å; P153-E229 HydrophobicContact CG-CB 3.95Å; P153-E229 HydrophobicContact CG-CG 4.26Å; L156-E229 HydrophobicContact CD1-CG 4.46Å; E229-H231 PolarHBondContact O-N 3.23Å; E229-H231 IonicContact OE2-CE1 2.69Å; E229-H231 PolarHBondContact OE2-CE1 3.05Å; E229-H231 VanDerWaalsContact OE2-CE1 3.26Å; E229-H231 IonicContact OE2-ND1 2.74Å; E229-H231 PolarHBondContact OE2-ND1 3.32Å; E229-K232 WeakPolarHBondContact O-CG 3.18Å; E229-K232 PolarHBondContact O-N 3.49Å; E229-L255 PolarHBondContact N-O 2.87Å |
| 230 | A | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -52.8 | -17 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L227 D228 K232 I233 L254 L255 L270 | L227-A230 HydrophobicContact CB-CB 4.16Å; D228-A230 VanDerWaalsContact C-N 3.31Å; D228-A230 PolarHBondContact O-N 3.49Å; A230-K232 PolarHBondContact O-N 2.61Å; A230-I233 WeakPolarHBondContact O-CG1 3.47Å; A230-I233 PolarHBondContact O-N 2.9Å; A230-L254 HydrophobicContact CB-CB 3.87Å; A230-L254 HydrophobicContact CB-CD2 3.93Å; A230-L254 HydrophobicContact CB-CG 4.35Å; A230-L255 WeakPolarHBondContact CB-O 2.96Å; A230-L255 PolarHBondContact N-O 3.27Å; A230-L270 HydrophobicContact CB-CD2 4.19Å; A230-L270 WeakPolarHBondContact O-CD2 3.24Å |
| 231 | H | 83.8 | Confident | 88.4 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 7% | 0.065 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -53.2 | -19 | 167.7 | 78 | -105.7 | 0 | 0 | 0 | 113.1 | E229 I233 K234 Q261 | E229-H231 PolarHBondContact O-N 3.23Å; E229-H231 IonicContact OE2-CE1 2.69Å; E229-H231 PolarHBondContact OE2-CE1 3.05Å; E229-H231 VanDerWaalsContact OE2-CE1 3.26Å; E229-H231 IonicContact OE2-ND1 2.74Å; E229-H231 PolarHBondContact OE2-ND1 3.32Å; H231-I233 VanDerWaalsContact C-N 3.28Å; H231-I233 PolarHBondContact O-N 2.89Å; H231-K234 VanDerWaalsContact O-CB 3.3Å; H231-K234 WeakPolarHBondContact O-CB 3.27Å; H231-K234 VanDerWaalsContact O-CD 3.27Å; H231-K234 WeakPolarHBondContact O-CD 3.49Å; H231-K234 WeakPolarHBondContact O-CG 3.33Å; H231-K234 PolarHBondContact O-N 3.32Å; H231-Q261 PolarHBondContact CD2-NE2 3.47Å; H231-Q261 VanDerWaalsContact CD2-NE2 3.32Å |
| 232 | K | 83.8 | Confident | 88.3 | Confident | 114 Ų | 114 | 35.8 Ų | 35.8 | 50% | 0.496 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -69.1 | -13.7 | 172.1 | -64.1 | -56.6 | -177.4 | -166.6 | 0 | 115.4 | Y202 E229 A230 | Y202-K232 HydrophobicContact CD2-CB 4.15Å; Y202-K232 HydrophobicContact CD2-CG 4.41Å; Y202-K232 HydrophobicContact CE1-CB 4.43Å; Y202-K232 HydrophobicContact CE2-CB 3.8Å; Y202-K232 HydrophobicContact CE2-CG 4.09Å; E229-K232 WeakPolarHBondContact O-CG 3.18Å; E229-K232 PolarHBondContact O-N 3.49Å; A230-K232 PolarHBondContact O-N 2.61Å |
| 233 | I | 84.9 | Confident | 88.2 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -111.4 | 14 | 173.6 | 65 | 146.3 | 0 | 0 | 0 | 113.7 | Y202 L227 A230 H231 T235 A241 L270 F273 | Y202-I233 HydrophobicContact CD1-CG2 4.16Å; Y202-I233 HydrophobicContact CE1-CG2 3.64Å; L227-I233 HydrophobicContact CD1-CD1 3.39Å; L227-I233 HydrophobicContact CD1-CG1 3.82Å; L227-I233 HydrophobicContact CD1-CG2 4.29Å; A230-I233 WeakPolarHBondContact O-CG1 3.47Å; A230-I233 PolarHBondContact O-N 2.9Å; H231-I233 VanDerWaalsContact C-N 3.28Å; H231-I233 PolarHBondContact O-N 2.89Å; I233-T235 PolarHBondContact O-N 3.16Å; I233-A241 HydrophobicContact CB-CB 4.07Å; I233-L270 HydrophobicContact CD1-CD2 4.41Å; I233-L270 HydrophobicContact CG1-CD2 4.08Å; I233-F273 HydrophobicContact CD1-CB 4.07Å; I233-F273 HydrophobicContact CD1-CD1 4.07Å; I233-F273 HydrophobicContact CD1-CD2 3.66Å; I233-F273 HydrophobicContact CD1-CE1 4.49Å; I233-F273 HydrophobicContact CD1-CE2 4.14Å; I233-F273 HydrophobicContact CD1-CG 3.63Å |
| 234 | K | 81.3 | Confident | 88 | Confident | 41 Ų | 41 | 34.6 Ų | 34.6 | 18% | 0.178 | 18% | 0.184 | C | C | . | . | trans | -54.6 | -22.3 | -174.3 | 68.3 | -173.9 | -164.4 | 158.5 | 0 | 116 | H231 N262 E266 S269 | H231-K234 VanDerWaalsContact O-CB 3.3Å; H231-K234 WeakPolarHBondContact O-CB 3.27Å; H231-K234 VanDerWaalsContact O-CD 3.27Å; H231-K234 WeakPolarHBondContact O-CD 3.49Å; H231-K234 WeakPolarHBondContact O-CG 3.33Å; H231-K234 PolarHBondContact O-N 3.32Å; K234-N262 PolarHBondContact NZ-ND2 2.92Å; K234-E266 HydrophobicContact CB-CB 4.03Å; K234-E266 HydrophobicContact CB-CG 4.03Å; K234-E266 HydrophobicContact CD-CG 4.2Å; K234-E266 VanDerWaalsContact CD-OE1 3.28Å; K234-E266 WeakPolarHBondContact CD-OE1 3.47Å; K234-E266 VanDerWaalsContact CE-OE1 3.31Å; K234-E266 WeakPolarHBondContact CE-OE1 3.49Å; K234-E266 HydrophobicContact CG-CG 4.29Å; K234-E266 IonicContact NZ-OE1 3.08Å; K234-E266 PolarHBondContact NZ-OE1 3.05Å; K234-S269 WeakPolarHBondContact O-CB 3.49Å; K234-S269 PolarHBondContact O-OG 3.26Å | ||
| 235 | T | 82.3 | Confident | 87.8 | Confident | 56 Ų | 56 | 37.2 Ų | 37.2 | 34% | 0.344 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -109.8 | 109.2 | 179.8 | -56.5 | 0 | 0 | 0 | 0 | 109.1 | I233 S237 T238 | I233-T235 PolarHBondContact O-N 3.16Å; T235-S237 WeakPolarHBondContact CG2-OG 3.18Å; T235-S237 PolarHBondContact O-N 3.41Å; T235-T238 HydrophobicContact CG2-CG2 4.24Å; T235-T238 WeakPolarHBondContact O-CB 3.42Å; T235-T238 WeakPolarHBondContact O-CG2 3.42Å; T235-T238 PolarHBondContact O-N 3.49Å; T235-T238 PolarHBondContact O-OG1 3.05Å |
| 236 | S | 80.9 | Confident | 87.5 | Confident | 31 Ų | 31 | 39.3 Ų | 39.3 | 22% | 0.217 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -19.9 | -172 | -70.3 | 0 | 0 | 0 | 0 | 115.7 | R245 S269 | S236-R245 PolarHBondContact OG-NH2 3.07Å; S236-R245 VanDerWaalsContact OG-NH2 3.07Å; S236-S269 WeakPolarHBondContact OG-CB 3.48Å; S236-S269 PolarHBondContact OG-OG 2.73Å |
| 237 | S | 82.6 | Confident | 87.2 | Confident | 93 Ų | 93 | 39.3 Ų | 39.3 | 65% | 0.65 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -8 | 175.5 | 54.3 | 0 | 0 | 0 | 0 | 114.2 | T235 I242 | T235-S237 WeakPolarHBondContact CG2-OG 3.18Å; T235-S237 PolarHBondContact O-N 3.41Å; S237-I242 WeakPolarHBondContact O-CD1 3.42Å |
| 238 | T | 86.2 | Confident | 87 | Confident | 48 Ų | 48 | 40.2 Ų | 40.2 | 29% | 0.294 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -68.8 | 143.3 | 180 | 56.6 | 0 | 0 | 0 | 0 | 111.5 | T235 S240 A241 I242 | T235-T238 HydrophobicContact CG2-CG2 4.24Å; T235-T238 WeakPolarHBondContact O-CB 3.42Å; T235-T238 WeakPolarHBondContact O-CG2 3.42Å; T235-T238 PolarHBondContact O-N 3.49Å; T235-T238 PolarHBondContact O-OG1 3.05Å; T238-S240 PolarHBondContact O-N 2.92Å; T238-A241 PolarHBondContact O-N 3.46Å; T238-A241 VanDerWaalsContact OG1-CB 3.31Å; T238-A241 WeakPolarHBondContact OG1-CB 3.08Å; T238-A241 PolarHBondContact OG1-N 3.02Å; T238-I242 WeakPolarHBondContact O-CG1 3.45Å; T238-I242 PolarHBondContact O-N 2.73Å |
| 239 | K | 87.5 | Confident | 87 | Confident | 156 Ų | 156 | 40.3 Ų | 40.3 | 68% | 0.678 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -53.1 | -39.8 | 175.8 | -65.1 | -179.9 | -179 | 176.3 | 0 | 111.6 | I206 I242 C243 | I206-K239 HydrophobicContact CD1-CB 4.34Å; I206-K239 HydrophobicContact CG1-CB 4.27Å; I206-K239 HydrophobicContact CG2-CB 4.31Å; K239-I242 PolarHBondContact O-N 2.91Å; K239-C243 WeakPolarHBondContact O-CB 3.31Å; K239-C243 PolarHBondContact O-N 2.85Å; K239-C243 PolarHBondContact O-SG 3.16Å |
| 240 | S | 87.9 | Confident | 87.1 | Confident | 24 Ų | 24 | 42.1 Ų | 42.1 | 17% | 0.168 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.5 | -48.8 | 173.7 | -47.3 | 0 | 0 | 0 | 0 | 112.9 | T238 A244 | T238-S240 PolarHBondContact O-N 2.92Å; S240-A244 VanDerWaalsContact O-CB 3.22Å; S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 2.96Å |
| 241 | A | 87.9 | Confident | 87.3 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | I233 T238 A244 R245 | I233-A241 HydrophobicContact CB-CB 4.07Å; T238-A241 PolarHBondContact O-N 3.46Å; T238-A241 VanDerWaalsContact OG1-CB 3.31Å; T238-A241 WeakPolarHBondContact OG1-CB 3.08Å; T238-A241 PolarHBondContact OG1-N 3.02Å; A241-A244 PolarHBondContact O-N 3.36Å; A241-R245 WeakPolarHBondContact O-CB 3.45Å; A241-R245 WeakPolarHBondContact O-CD 3.35Å; A241-R245 WeakPolarHBondContact O-CG 3.03Å; A241-R245 PolarHBondContact O-N 2.84Å |
| 242 | I | 89.1 | Confident | 87.8 | Confident | 93 Ų | 93 | 43.5 Ų | 43.5 | 48% | 0.477 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.8 | -50.6 | 178.7 | -64.3 | 166.8 | 0 | 0 | 0 | 110.7 | S237 T238 K239 A244 R245 A246 | S237-I242 WeakPolarHBondContact O-CD1 3.42Å; T238-I242 WeakPolarHBondContact O-CG1 3.45Å; T238-I242 PolarHBondContact O-N 2.73Å; K239-I242 PolarHBondContact O-N 2.91Å; I242-A244 VanDerWaalsContact C-N 3.34Å; I242-A244 PolarHBondContact O-N 3.04Å; I242-R245 PolarHBondContact O-N 3.44Å; I242-A246 PolarHBondContact O-N 3.49Å |
| 243 | C | 90.3 | Very high | 88.3 | Confident | 14 Ų | 14 | 38.2 Ų | 38.2 | 10% | 0.095 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.4 | -35.7 | 178 | -67.8 | 0 | 0 | 0 | 0 | 112.6 | L205 W209 K239 A246 | L205-C243 HydrophobicContact CG-CB 4.49Å; W209-C243 HydrophobicContact CB-CB 4.14Å; W209-C243 HydrophobicContact CG-CB 4.06Å; K239-C243 WeakPolarHBondContact O-CB 3.31Å; K239-C243 PolarHBondContact O-N 2.85Å; K239-C243 PolarHBondContact O-SG 3.16Å; C243-A246 PolarHBondContact O-N 3.05Å |
| 244 | A | 89.6 | Confident | 88.8 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.4 | -37.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L205 S240 A241 I242 A246 I247 F273 | L205-A244 HydrophobicContact CD2-CB 3.76Å; S240-A244 VanDerWaalsContact O-CB 3.22Å; S240-A244 WeakPolarHBondContact O-CB 3.48Å; S240-A244 PolarHBondContact O-N 2.96Å; A241-A244 PolarHBondContact O-N 3.36Å; I242-A244 VanDerWaalsContact C-N 3.34Å; I242-A244 PolarHBondContact O-N 3.04Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A244-I247 PolarHBondContact O-N 2.82Å; A244-F273 HydrophobicContact CB-CE2 3.58Å; A244-F273 HydrophobicContact CB-CZ 4Å |
| 245 | R | 88.8 | Confident | 89.3 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 25% | 0.249 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -32.9 | 177.6 | -74.2 | 163.4 | 176.3 | -86.2 | 6.8 | 112.2 | S236 A241 I242 I247 R252 S269 D272 F273 | S236-R245 PolarHBondContact OG-NH2 3.07Å; S236-R245 VanDerWaalsContact OG-NH2 3.07Å; A241-R245 WeakPolarHBondContact O-CB 3.45Å; A241-R245 WeakPolarHBondContact O-CD 3.35Å; A241-R245 WeakPolarHBondContact O-CG 3.03Å; A241-R245 PolarHBondContact O-N 2.84Å; I242-R245 PolarHBondContact O-N 3.44Å; R245-I247 VanDerWaalsContact C-N 3.27Å; R245-I247 PolarHBondContact O-N 3.45Å; R245-R252 PolarHBondContact O-NH2 3.01Å; R245-S269 PolarHBondContact NH2-O 2.85Å; R245-D272 IonicContact CZ-OD2 2.68Å; R245-D272 IonicContact NH1-OD2 3.31Å; R245-D272 PolarHBondContact NH1-OD2 3.18Å; R245-D272 IonicContact NH2-OD2 3.92Å; R245-D272 PolarHBondContact NH2-OD2 3.31Å; R245-F273 HydrophobicContact CG-CD2 3.65Å; R245-F273 HydrophobicContact CG-CE2 3.95Å |
| 246 | A | 89.1 | Confident | 89.7 | Confident | 44 Ų | 44 | 33.5 Ų | 33.5 | 36% | 0.364 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -7.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | W209 I242 C243 A244 P248 | W209-A246 HydrophobicContact CE3-CB 3.9Å; W209-A246 HydrophobicContact CZ3-CB 3.93Å; I242-A246 PolarHBondContact O-N 3.49Å; C243-A246 PolarHBondContact O-N 3.05Å; A244-A246 VanDerWaalsContact C-N 3.33Å; A246-P248 WeakPolarHBondContact O-CD 3.47Å |
| 247 | I | 91.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -84.8 | 122 | 174.4 | -68 | 175.2 | 0 | 0 | 0 | 109.7 | L149 L205 W209 L212 W222 V225 A244 R245 A249 R252 | L149-I247 HydrophobicContact CD2-CD1 3.95Å; L149-I247 HydrophobicContact CD2-CG2 4.26Å; L205-I247 HydrophobicContact CD1-CD1 3.5Å; L205-I247 HydrophobicContact CG-CD1 4.36Å; W209-I247 HydrophobicContact CB-CD1 4.48Å; W209-I247 HydrophobicContact CB-CG1 4.47Å; L212-I247 HydrophobicContact CB-CD1 4.12Å; L212-I247 HydrophobicContact CD1-CD1 4.39Å; W222-I247 HydrophobicContact CG-CG2 4.49Å; V225-I247 HydrophobicContact CG2-CG2 4.12Å; A244-I247 PolarHBondContact O-N 2.82Å; R245-I247 VanDerWaalsContact C-N 3.27Å; R245-I247 PolarHBondContact O-N 3.45Å; I247-A249 PolarHBondContact O-N 3.41Å; I247-R252 PolarHBondContact O-NH2 3.47Å |
| 248 | P | 90.7 | Very high | 89.5 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 12% | 0.123 | 16% | 0.158 | C | C | . | . | trans | -65.9 | 129.8 | 177.4 | -17.7 | 31.4 | 0 | 0 | 0 | 110.6 | E219 V221 W222 A246 | E219-P248 HydrophobicContact CG-CB 4.37Å; E219-P248 HydrophobicContact CG-CG 3.64Å; E219-P248 WeakPolarHBondContact OE1-CG 3.26Å; V221-P248 HydrophobicContact CB-CB 4.42Å; V221-P248 HydrophobicContact CG1-CB 4.49Å; V221-P248 HydrophobicContact CG2-CB 4Å; W222-P248 PolarHBondContact N-O 3.24Å; A246-P248 WeakPolarHBondContact O-CD 3.47Å | ||
| 249 | A | 91.9 | Very high | 88.7 | Confident | 12 Ų | 12 | 26.5 Ų | 26.5 | 10% | 0.099 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 134.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W222 V225 I247 R252 Q276 | W222-A249 CarbonylContact O-C 3.6Å; W222-A249 VanDerWaalsContact O-CA 3.24Å; W222-A249 WeakPolarHBondContact O-CA 3.49Å; V225-A249 HydrophobicContact CB-CB 4.12Å; V225-A249 HydrophobicContact CG2-CB 3.53Å; I247-A249 PolarHBondContact O-N 3.41Å; A249-R252 HydrophobicContact CB-CG 4.05Å; A249-Q276 PolarHBondContact O-NE2 3.41Å |
| 250 | S | 90.6 | Very high | 88.1 | Confident | 55 Ų | 55 | 19 Ų | 19 | 39% | 0.385 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | -49.4 | 173 | -57.7 | 0 | 0 | 0 | 0 | 110.7 | W222 | W222-S250 PolarHBondContact O-N 3.48Å |
| 251 | N | 92.6 | Very high | 87 | Confident | 22 Ų | 22 | 18.4 Ų | 18.4 | 12% | 0.118 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.7 | 179 | -56.8 | -79.3 | 0 | 0 | 0 | 112.2 | K116 D223 Y224 V225 | K116-N251 CarbonylContact O-C 3.59Å; K116-N251 WeakPolarHBondContact O-CA 3.27Å; D223-N251 WeakPolarHBondContact O-CB 3.49Å; D223-N251 PolarHBondContact O-N 2.92Å; D223-N251 PolarHBondContact O-ND2 3.04Å; Y224-N251 WeakPolarHBondContact CA-O 3.46Å; Y224-N251 HydrophobicContact CD1-CB 3.71Å; Y224-N251 HydrophobicContact CD2-CB 4.19Å; Y224-N251 HydrophobicContact CE1-CB 3.5Å; Y224-N251 HydrophobicContact CE2-CB 4.01Å; Y224-N251 HydrophobicContact CG-CB 4.04Å; V225-N251 PolarHBondContact N-O 2.89Å |
| 252 | R | 94.4 | Very high | 86 | Confident | 21 Ų | 21 | 20.5 Ų | 20.5 | 8% | 0.079 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 115.8 | 177.9 | -70.2 | -180 | 173.9 | 176.8 | -1.4 | 112 | K116 G117 G118 V225 R245 I247 A249 F273 | K116-R252 PolarHBondContact O-N 3.28Å; G117-R252 CarbonylContact C-O 3.6Å; G117-R252 WeakPolarHBondContact CA-O 3.03Å; G118-R252 PolarHBondContact N-O 2.86Å; G118-R252 VanDerWaalsContact N-O 3.14Å; V225-R252 HydrophobicContact CB-CG 4.48Å; V225-R252 WeakPolarHBondContact O-CA 3.37Å; R245-R252 PolarHBondContact O-NH2 3.01Å; I247-R252 PolarHBondContact O-NH2 3.47Å; A249-R252 HydrophobicContact CB-CG 4.05Å; R252-F273 HydrophobicContact CB-CD1 4.46Å; R252-F273 HydrophobicContact CB-CE1 4.08Å; R252-F273 VanDerWaalsContact CD-O 3.29Å; R252-F273 WeakPolarHBondContact CD-O 3.37Å; R252-F273 HydrophobicContact CG-CE1 4.17Å |
| 253 | L | 95.1 | Very high | 85.4 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 132.9 | -178.8 | -176.6 | 64.7 | 0 | 0 | 0 | 111.3 | L107 I132 V225 I226 L227 L255 | L107-L253 HydrophobicContact CD2-CD1 3.48Å; L107-L253 VanDerWaalsContact CD2-CD1 3.48Å; L107-L253 HydrophobicContact CD2-CD2 3.74Å; L107-L253 HydrophobicContact CD2-CG 4.28Å; I132-L253 HydrophobicContact CD1-CD2 3.61Å; V225-L253 PolarHBondContact O-N 2.91Å; I226-L253 WeakPolarHBondContact CA-O 3.4Å; I226-L253 HydrophobicContact CD1-CD2 4.38Å; I226-L253 HydrophobicContact CG1-CB 4.19Å; I226-L253 HydrophobicContact CG2-CB 4.32Å; I226-L253 HydrophobicContact CG2-CD2 4.27Å; I226-L253 HydrophobicContact CG2-CG 4.43Å; L227-L253 PolarHBondContact N-O 3.28Å; L253-L255 HydrophobicContact CD2-CD2 4.08Å; L253-L255 HydrophobicContact CG-CD2 4.06Å |
| 254 | L | 94.8 | Very high | 85 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 127.2 | 179.2 | -59.6 | -174.8 | 0 | 0 | 0 | 111.2 | G118 I119 L120 L227 A230 L270 F273 A274 | G118-L254 PolarHBondContact O-N 3.04Å; I119-L254 CarbonylContact C-O 2.99Å; I119-L254 WeakPolarHBondContact CA-O 3.45Å; I119-L254 HydrophobicContact CB-CB 4.43Å; I119-L254 HydrophobicContact CD1-CD1 4.23Å; I119-L254 HydrophobicContact CG1-CB 4.16Å; I119-L254 HydrophobicContact CG1-CD1 4.24Å; I119-L254 HydrophobicContact CG2-CB 4.17Å; L120-L254 PolarHBondContact N-O 3.08Å; L227-L254 HydrophobicContact CB-CD2 3.7Å; L227-L254 HydrophobicContact CD1-CD2 3.55Å; L227-L254 HydrophobicContact CG-CD2 3.63Å; A230-L254 HydrophobicContact CB-CB 3.87Å; A230-L254 HydrophobicContact CB-CD2 3.93Å; A230-L254 HydrophobicContact CB-CG 4.35Å; L254-L270 HydrophobicContact CD1-CB 3.83Å; L254-L270 HydrophobicContact CD1-CD2 3.89Å; L254-L270 HydrophobicContact CD1-CG 4.44Å; L254-L270 VanDerWaalsContact CD1-O 3.23Å; L254-L270 WeakPolarHBondContact CD1-O 3.16Å; L254-F273 HydrophobicContact CD1-CD1 4.22Å; L254-F273 HydrophobicContact CD2-CD1 3.66Å; L254-F273 HydrophobicContact CD2-CE1 3.85Å; L254-F273 HydrophobicContact CG-CD1 4.27Å; L254-A274 HydrophobicContact CD1-CB 3.92Å; L254-A274 HydrophobicContact CG-CB 4.12Å |
| 255 | L | 93.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 130.5 | 173.3 | -36.5 | 176 | 0 | 0 | 0 | 108.4 | L120 K128 I132 W160 I226 L227 D228 E229 A230 L253 | L120-L255 HydrophobicContact CB-CD2 4.11Å; L120-L255 HydrophobicContact CD2-CD2 4.35Å; K128-L255 HydrophobicContact CD-CB 4.48Å; I132-L255 HydrophobicContact CD1-CD2 3.65Å; I132-L255 HydrophobicContact CG1-CD1 3.74Å; I132-L255 HydrophobicContact CG1-CD2 3.62Å; I132-L255 HydrophobicContact CG1-CG 4.34Å; W160-L255 HydrophobicContact CH2-CD1 3.79Å; W160-L255 HydrophobicContact CZ2-CD1 3.84Å; I226-L255 HydrophobicContact CG2-CD1 4Å; I226-L255 HydrophobicContact CG2-CD2 4.29Å; I226-L255 HydrophobicContact CG2-CG 4.05Å; L227-L255 PolarHBondContact O-N 3.36Å; D228-L255 HydrophobicContact CB-CD1 4.21Å; E229-L255 PolarHBondContact N-O 2.87Å; A230-L255 WeakPolarHBondContact CB-O 2.96Å; A230-L255 PolarHBondContact N-O 3.27Å; L253-L255 HydrophobicContact CD2-CD2 4.08Å; L253-L255 HydrophobicContact CG-CD2 4.06Å |
| 256 | T | 89.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -151.2 | 143.7 | 177.8 | -177.4 | 0 | 0 | 0 | 0 | 111.4 | I119 L120 A121 K128 T258 P259 | I119-T256 HydrophobicContact CG2-CG2 4.13Å; L120-T256 PolarHBondContact O-N 3.28Å; L120-T256 VanDerWaalsContact O-N 3.16Å; A121-T256 WeakPolarHBondContact CA-O 3.45Å; A121-T256 HydrophobicContact CB-CG2 4.04Å; K128-T256 WeakPolarHBondContact CE-O 3.43Å; K128-T256 PolarHBondContact NZ-O 3.37Å; T256-T258 VanDerWaalsContact OG1-C 3.25Å; T256-T258 PolarHBondContact OG1-N 3.18Å; T256-T258 VanDerWaalsContact OG1-N 3.09Å; T256-T258 PolarHBondContact OG1-O 3.32Å; T256-P259 HydrophobicContact CG2-CB 3.84Å | ||
| 257 | G | 81.4 | Confident | 84.7 | Confident | 5 Ų | 5 | 16 Ų | 16 | 5% | 0.052 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -78.3 | -24.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | M124 | M124-G257 VanDerWaalsContact CG-CA 3.46Š|
| 258 | T | 78.1 | Confident | 84.6 | Confident | 16 Ų | 16 | 16.7 Ų | 16.7 | 10% | 0.098 | 9% | 0.092 | C | C | . | . | trans | -140.6 | 91.7 | -171.6 | 59.7 | 0 | 0 | 0 | 0 | 107.5 | T256 I260 Q261 A561 | T256-T258 VanDerWaalsContact OG1-C 3.25Å; T256-T258 PolarHBondContact OG1-N 3.18Å; T256-T258 VanDerWaalsContact OG1-N 3.09Å; T256-T258 PolarHBondContact OG1-O 3.32Å; T258-I260 PolarHBondContact O-N 3.37Å; T258-Q261 PolarHBondContact OG1-NE2 3Å; T258-A561 HydrophobicContact CG2-CB 3.93Å | ||
| 259 | P | 70.1 | Confident | 84.6 | Confident | 3 Ų | 3 | 15.9 Ų | 15.9 | 2% | 0.019 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -69.8 | -22.2 | -173.5 | 28.3 | -35.5 | 0 | 0 | 0 | 113.3 | A121 T256 L270 F325 T609 | A121-P259 HydrophobicContact CB-CB 3.99Å; A121-P259 HydrophobicContact CB-CG 4Å; T256-P259 HydrophobicContact CG2-CB 3.84Å; P259-L270 VanDerWaalsContact O-CD1 3.31Å; P259-L270 WeakPolarHBondContact O-CD1 3.44Å; P259-F325 HydrophobicContact CB-CE2 3.85Å; P259-F325 HydrophobicContact CB-CZ 4.23Å; P259-F325 HydrophobicContact CG-CE2 4.15Å; P259-F325 HydrophobicContact CG-CZ 4.01Å; P259-T609 HydrophobicContact CG-CG2 3.91Å |
| 260 | I | 74.5 | Confident | 84.5 | Confident | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | trans | -129.9 | 144.3 | 172.2 | -53 | 175 | 0 | 0 | 0 | 105.7 | T258 L264 L267 I605 T608 | T258-I260 PolarHBondContact O-N 3.37Å; I260-L264 HydrophobicContact CD1-CD2 4.44Å; I260-L267 HydrophobicContact CD1-CB 4.33Å; I260-L267 HydrophobicContact CD1-CD1 4.14Å; I260-L267 HydrophobicContact CD1-CD2 4.07Å; I260-L267 HydrophobicContact CD1-CG 4.41Å; I260-L267 HydrophobicContact CG1-CB 4.11Å; I260-L267 HydrophobicContact CG1-CD1 3.87Å; I260-L267 HydrophobicContact CG1-CG 4.41Å; I260-I605 HydrophobicContact CB-CG1 3.96Å; I260-I605 HydrophobicContact CB-CG2 4.44Å; I260-I605 HydrophobicContact CG2-CG1 4.02Å; I260-I605 WeakPolarHBondContact O-CD1 3.38Å; I260-T608 HydrophobicContact CD1-CG2 3.89Å | ||
| 261 | Q | 65.2 | Low | 84.4 | Confident | 10 Ų | 10 | 12.8 Ų | 12.8 | 5% | 0.047 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -128.3 | -35.3 | 176.2 | -63.5 | -170.6 | -25.1 | 0 | 0 | 112.6 | H231 T258 E266 N559 A561 | H231-Q261 PolarHBondContact CD2-NE2 3.47Å; H231-Q261 VanDerWaalsContact CD2-NE2 3.32Å; T258-Q261 PolarHBondContact OG1-NE2 3Å; Q261-E266 WeakPolarHBondContact CA-OE2 3.22Å; Q261-E266 PolarHBondContact N-OE2 3.15Å; Q261-N559 PolarHBondContact O-OD1 2.99Å; Q261-N559 PolarHBondContact OE1-ND2 3.24Å; Q261-A561 HydrophobicContact CB-CB 4.17Å; Q261-A561 HydrophobicContact CG-CB 3.77Å |
| 262 | N | 65.8 | Low | 84.3 | Confident | 45 Ų | 45 | 12.4 Ų | 12.4 | 24% | 0.241 | 6% | 0.063 | C | C | . | . | S | Bend | trans | -140 | -39.6 | -173.2 | -55.1 | -87.2 | 0 | 0 | 0 | 114 | K234 E266 K601 | K234-N262 PolarHBondContact NZ-ND2 2.92Å; N262-E266 PolarHBondContact N-OE2 3.41Å; N262-E266 PolarHBondContact ND2-OE1 3.05Å; N262-K601 PolarHBondContact OD1-NZ 3.39Å |
| 263 | N | 76 | Confident | 84.1 | Confident | 39 Ų | 39 | 11.4 Ų | 11.4 | 21% | 0.209 | 6% | 0.059 | C | C | . | . | trans | -150.1 | 154.2 | -175.1 | -168.3 | 15.8 | 0 | 0 | 0 | 112.4 | Q265 E266 E291 | N263-Q265 HydrophobicContact CB-CB 4.44Å; N263-Q265 WeakPolarHBondContact ND2-CB 3.25Å; N263-Q265 PolarHBondContact O-N 3.29Å; N263-E266 PolarHBondContact N-OE2 3.14Å; N263-E266 VanDerWaalsContact O-CB 3.25Å; N263-E266 WeakPolarHBondContact O-CB 3.34Å; N263-E266 PolarHBondContact O-N 3.24Å; N263-E291 PolarHBondContact ND2-OE1 2.78Å | ||
| 264 | L | 83.2 | Confident | 83.8 | Confident | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.6 | -26 | 173.4 | -59.2 | 169.9 | 0 | 0 | 0 | 112.7 | I260 E266 L267 W268 F286 E291 I294 L604 T608 | I260-L264 HydrophobicContact CD1-CD2 4.44Å; L264-E266 PolarHBondContact O-N 3.49Å; L264-L267 WeakPolarHBondContact O-CA 3.17Å; L264-L267 VanDerWaalsContact O-CB 3.27Å; L264-L267 WeakPolarHBondContact O-CB 3.33Å; L264-L267 PolarHBondContact O-N 2.97Å; L264-W268 PolarHBondContact O-N 3.45Å; L264-F286 HydrophobicContact CB-CE1 4.11Å; L264-F286 HydrophobicContact CB-CZ 4.33Å; L264-E291 HydrophobicContact CB-CB 4.48Å; L264-E291 HydrophobicContact CB-CG 4.19Å; L264-E291 HydrophobicContact CD1-CB 4.42Å; L264-E291 HydrophobicContact CD1-CG 4.32Å; L264-I294 HydrophobicContact CD1-CB 3.85Å; L264-I294 HydrophobicContact CD1-CD1 4.36Å; L264-I294 HydrophobicContact CD1-CG2 3.76Å; L264-L604 HydrophobicContact CD1-CD1 4.11Å; L264-L604 HydrophobicContact CD2-CD1 3.84Å; L264-L604 HydrophobicContact CD2-CG 4.41Å; L264-L604 HydrophobicContact CG-CD1 3.91Å; L264-T608 HydrophobicContact CD2-CG2 3.69Å |
| 265 | Q | 85.4 | Confident | 83.4 | Confident | 69 Ų | 69 | 11.4 Ų | 11.4 | 32% | 0.322 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -56 | -34.6 | 169.1 | -176.7 | 173.4 | 23.9 | 0 | 0 | 112.9 | N263 L267 W268 S269 L283 | N263-Q265 HydrophobicContact CB-CB 4.44Å; N263-Q265 WeakPolarHBondContact ND2-CB 3.25Å; N263-Q265 PolarHBondContact O-N 3.29Å; Q265-L267 VanDerWaalsContact C-N 3.33Å; Q265-W268 PolarHBondContact O-N 3.22Å; Q265-S269 WeakPolarHBondContact O-CB 3.39Å; Q265-S269 PolarHBondContact O-N 3.08Å; Q265-S269 PolarHBondContact O-OG 3.03Å; Q265-L283 HydrophobicContact CG-CD1 3.86Å |
| 266 | E | 87 | Confident | 82.8 | Confident | 14 Ų | 14 | 13.4 Ų | 13.4 | 7% | 0.065 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.2 | -40.9 | 175 | -60.8 | 173.6 | 149.3 | 0 | 0 | 110.2 | K234 Q261 N262 N263 L264 S269 L270 | K234-E266 HydrophobicContact CB-CB 4.03Å; K234-E266 HydrophobicContact CB-CG 4.03Å; K234-E266 HydrophobicContact CD-CG 4.2Å; K234-E266 VanDerWaalsContact CD-OE1 3.28Å; K234-E266 WeakPolarHBondContact CD-OE1 3.47Å; K234-E266 VanDerWaalsContact CE-OE1 3.31Å; K234-E266 WeakPolarHBondContact CE-OE1 3.49Å; K234-E266 HydrophobicContact CG-CG 4.29Å; K234-E266 IonicContact NZ-OE1 3.08Å; K234-E266 PolarHBondContact NZ-OE1 3.05Å; Q261-E266 WeakPolarHBondContact CA-OE2 3.22Å; Q261-E266 PolarHBondContact N-OE2 3.15Å; N262-E266 PolarHBondContact N-OE2 3.41Å; N262-E266 PolarHBondContact ND2-OE1 3.05Å; N263-E266 PolarHBondContact N-OE2 3.14Å; N263-E266 VanDerWaalsContact O-CB 3.25Å; N263-E266 WeakPolarHBondContact O-CB 3.34Å; N263-E266 PolarHBondContact O-N 3.24Å; L264-E266 PolarHBondContact O-N 3.49Å; E266-S269 PolarHBondContact O-N 2.87Å; E266-L270 VanDerWaalsContact O-CG 3.31Å; E266-L270 WeakPolarHBondContact O-CG 3.33Å; E266-L270 PolarHBondContact O-N 3.12Å; E266-L270 VanDerWaalsContact O-N 3.11Å |
| 267 | L | 87.1 | Confident | 82.1 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -64.3 | -46.6 | 176.6 | -168.2 | 71.5 | 0 | 0 | 0 | 111.8 | I260 L264 Q265 S269 L270 F271 I321 T608 | I260-L267 HydrophobicContact CD1-CB 4.33Å; I260-L267 HydrophobicContact CD1-CD1 4.14Å; I260-L267 HydrophobicContact CD1-CD2 4.07Å; I260-L267 HydrophobicContact CD1-CG 4.41Å; I260-L267 HydrophobicContact CG1-CB 4.11Å; I260-L267 HydrophobicContact CG1-CD1 3.87Å; I260-L267 HydrophobicContact CG1-CG 4.41Å; L264-L267 WeakPolarHBondContact O-CA 3.17Å; L264-L267 VanDerWaalsContact O-CB 3.27Å; L264-L267 WeakPolarHBondContact O-CB 3.33Å; L264-L267 PolarHBondContact O-N 2.97Å; Q265-L267 VanDerWaalsContact C-N 3.33Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-S269 PolarHBondContact O-N 2.97Å; L267-L270 PolarHBondContact O-N 3.45Å; L267-F271 HydrophobicContact CD1-CD2 4.19Å; L267-F271 HydrophobicContact CD1-CE2 3.59Å; L267-F271 HydrophobicContact CD1-CZ 4.45Å; L267-F271 HydrophobicContact CD2-CE2 4.14Å; L267-F271 HydrophobicContact CG-CD2 3.87Å; L267-F271 HydrophobicContact CG-CE2 3.62Å; L267-F271 WeakPolarHBondContact O-CD2 3.46Å; L267-F271 PolarHBondContact O-N 2.82Å; L267-I321 HydrophobicContact CD2-CD1 4.29Å; L267-T608 HydrophobicContact CD2-CG2 3.65Å |
| 268 | W | 90.2 | Very high | 81.8 | Confident | 17 Ų | 17 | 14.4 Ų | 14.4 | 6% | 0.064 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -57.7 | -46.4 | 175.2 | 178.3 | 89.4 | 0 | 0 | 0 | 111.1 | L264 Q265 L270 F271 D272 L280 G281 L283 F286 | L264-W268 PolarHBondContact O-N 3.45Å; Q265-W268 PolarHBondContact O-N 3.22Å; W268-L270 VanDerWaalsContact C-N 3.27Å; W268-L270 PolarHBondContact O-N 3.32Å; W268-F271 PolarHBondContact O-N 3.08Å; W268-D272 HydrophobicContact CD2-CB 4.31Å; W268-D272 HydrophobicContact CE3-CB 4.42Å; W268-D272 HydrophobicContact CH2-CB 3.97Å; W268-D272 HydrophobicContact CZ2-CB 3.87Å; W268-D272 HydrophobicContact CZ3-CB 4.27Å; W268-D272 VanDerWaalsContact O-CB 3.28Å; W268-D272 WeakPolarHBondContact O-CB 3.34Å; W268-D272 PolarHBondContact O-N 3Å; W268-L280 PolarHBondContact NE1-O 2.75Å; W268-G281 PolarHBondContact NE1-O 2.88Å; W268-L283 HydrophobicContact CD2-CB 4.24Å; W268-L283 HydrophobicContact CD2-CD1 4.12Å; W268-L283 HydrophobicContact CE3-CB 4.09Å; W268-L283 HydrophobicContact CE3-CD1 3.87Å; W268-L283 HydrophobicContact CE3-CG 4.44Å; W268-L283 HydrophobicContact CH2-CB 3.81Å; W268-L283 HydrophobicContact CZ2-CB 3.92Å; W268-L283 VanDerWaalsContact CZ2-N 3.33Å; W268-L283 HydrophobicContact CZ3-CB 3.88Å; W268-L283 HydrophobicContact CZ3-CD1 4.36Å; W268-L283 HydrophobicContact CZ3-CD2 4.48Å; W268-L283 HydrophobicContact CZ3-CG 4.46Å; W268-F286 HydrophobicContact CB-CD1 3.72Å; W268-F286 HydrophobicContact CB-CD2 4.46Å; W268-F286 HydrophobicContact CB-CE1 3.74Å; W268-F286 HydrophobicContact CB-CE2 4.47Å; W268-F286 HydrophobicContact CB-CG 4.1Å; W268-F286 HydrophobicContact CB-CZ 4.13Å; W268-F286 VanDerWaalsContact CD1-CB 3.49Å; W268-F286 AromaticContact CD1-CD1 3.87Å; W268-F286 AromaticContact CD1-CD2 3.69Å; W268-F286 AromaticContact CD1-CG 3.38Å; W268-F286 HydrophobicContact CG-CB 4.25Å; W268-F286 AromaticContact CG-CD1 3.94Å; W268-F286 HydrophobicContact CG-CD1 3.94Å; W268-F286 HydrophobicContact CG-CD2 4.42Å; W268-F286 HydrophobicContact CG-CE1 4.44Å; W268-F286 AromaticContact CG-CG 3.93Å; W268-F286 HydrophobicContact CG-CG 3.93Å |
| 269 | S | 89.4 | Confident | 82 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.014 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60 | -34.1 | 178.2 | -80.9 | 0 | 0 | 0 | 0 | 113.5 | K234 S236 R245 Q265 E266 L267 F273 | K234-S269 WeakPolarHBondContact O-CB 3.49Å; K234-S269 PolarHBondContact O-OG 3.26Å; S236-S269 WeakPolarHBondContact OG-CB 3.48Å; S236-S269 PolarHBondContact OG-OG 2.73Å; R245-S269 PolarHBondContact NH2-O 2.85Å; Q265-S269 WeakPolarHBondContact O-CB 3.39Å; Q265-S269 PolarHBondContact O-N 3.08Å; Q265-S269 PolarHBondContact O-OG 3.03Å; E266-S269 PolarHBondContact O-N 2.87Å; L267-S269 VanDerWaalsContact C-N 3.33Å; L267-S269 PolarHBondContact O-N 2.97Å; S269-F273 WeakPolarHBondContact O-CB 3.34Å; S269-F273 PolarHBondContact O-N 2.9Å |
| 270 | L | 90.3 | Very high | 82.7 | Confident | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.01 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -74.8 | -43.4 | 176.1 | -65.7 | 171.1 | 0 | 0 | 0 | 112.2 | I119 A230 I233 L254 P259 E266 L267 W268 F273 A274 | I119-L270 HydrophobicContact CD1-CB 3.93Å; A230-L270 HydrophobicContact CB-CD2 4.19Å; A230-L270 WeakPolarHBondContact O-CD2 3.24Å; I233-L270 HydrophobicContact CD1-CD2 4.41Å; I233-L270 HydrophobicContact CG1-CD2 4.08Å; L254-L270 HydrophobicContact CD1-CB 3.83Å; L254-L270 HydrophobicContact CD1-CD2 3.89Å; L254-L270 HydrophobicContact CD1-CG 4.44Å; L254-L270 VanDerWaalsContact CD1-O 3.23Å; L254-L270 WeakPolarHBondContact CD1-O 3.16Å; P259-L270 VanDerWaalsContact O-CD1 3.31Å; P259-L270 WeakPolarHBondContact O-CD1 3.44Å; E266-L270 VanDerWaalsContact O-CG 3.31Å; E266-L270 WeakPolarHBondContact O-CG 3.33Å; E266-L270 PolarHBondContact O-N 3.12Å; E266-L270 VanDerWaalsContact O-N 3.11Å; L267-L270 PolarHBondContact O-N 3.45Å; W268-L270 VanDerWaalsContact C-N 3.27Å; W268-L270 PolarHBondContact O-N 3.32Å; L270-F273 WeakPolarHBondContact O-CB 3.22Å; L270-F273 PolarHBondContact O-N 2.98Å; L270-A274 WeakPolarHBondContact O-CB 3.29Å; L270-A274 PolarHBondContact O-N 3.16Å |
| 271 | F | 90.1 | Very high | 83.1 | Confident | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -70.5 | -37.5 | 176.4 | -75.6 | -63.7 | 0 | 0 | 0 | 113.2 | I119 L267 W268 F273 A274 C275 L279 L280 I321 F325 | I119-F271 HydrophobicContact CD1-CD1 3.72Å; I119-F271 HydrophobicContact CD1-CD2 4.39Å; I119-F271 HydrophobicContact CD1-CE1 3.51Å; I119-F271 HydrophobicContact CD1-CE2 4.23Å; I119-F271 HydrophobicContact CD1-CG 4.14Å; I119-F271 HydrophobicContact CD1-CZ 3.77Å; I119-F271 HydrophobicContact CG1-CD1 4.2Å; I119-F271 HydrophobicContact CG1-CE1 3.87Å; I119-F271 HydrophobicContact CG1-CZ 4.46Å; L267-F271 HydrophobicContact CD1-CD2 4.19Å; L267-F271 HydrophobicContact CD1-CE2 3.59Å; L267-F271 HydrophobicContact CD1-CZ 4.45Å; L267-F271 HydrophobicContact CD2-CE2 4.14Å; L267-F271 HydrophobicContact CG-CD2 3.87Å; L267-F271 HydrophobicContact CG-CE2 3.62Å; L267-F271 WeakPolarHBondContact O-CD2 3.46Å; L267-F271 PolarHBondContact O-N 2.82Å; W268-F271 PolarHBondContact O-N 3.08Å; F271-F273 PolarHBondContact O-N 2.84Å; F271-A274 PolarHBondContact O-N 3.17Å; F271-C275 WeakPolarHBondContact O-CB 3.5Å; F271-C275 PolarHBondContact O-N 3.05Å; F271-L279 HydrophobicContact CB-CD2 4.46Å; F271-L279 HydrophobicContact CD1-CD2 3.96Å; F271-L279 HydrophobicContact CG-CD2 4.3Å; F271-L280 HydrophobicContact CB-CD1 3.77Å; F271-L280 HydrophobicContact CB-CG 4.39Å; F271-L280 HydrophobicContact CD2-CD1 3.79Å; F271-L280 HydrophobicContact CG-CD1 4.09Å; F271-I321 HydrophobicContact CD2-CG2 4.02Å; F271-I321 HydrophobicContact CE1-CB 4.15Å; F271-I321 HydrophobicContact CE1-CG2 4.39Å; F271-I321 HydrophobicContact CE2-CB 3.85Å; F271-I321 HydrophobicContact CE2-CD1 3.92Å; F271-I321 HydrophobicContact CE2-CG1 4.45Å; F271-I321 HydrophobicContact CE2-CG2 3.61Å; F271-I321 HydrophobicContact CZ-CB 3.58Å; F271-I321 HydrophobicContact CZ-CD1 4.06Å; F271-I321 HydrophobicContact CZ-CG1 4.26Å; F271-I321 HydrophobicContact CZ-CG2 3.85Å; F271-F325 HydrophobicContact CE1-CB 4.19Å; F271-F325 HydrophobicContact CE1-CD2 4.5Å; F271-F325 HydrophobicContact CZ-CB 3.89Å; F271-F325 AromaticContact CZ-CD2 3.8Å; F271-F325 HydrophobicContact CZ-CD2 3.8Å; F271-F325 HydrophobicContact CZ-CG 4.15Å |
| 272 | D | 89.6 | Confident | 84.2 | Confident | 14 Ų | 14 | 17.1 Ų | 17.1 | 8% | 0.075 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -66.6 | -25.6 | 173.2 | 173.7 | 79.3 | 0 | 0 | 0 | 111.9 | R245 W268 Q276 G277 K715 | R245-D272 IonicContact CZ-OD2 2.68Å; R245-D272 IonicContact NH1-OD2 3.31Å; R245-D272 PolarHBondContact NH1-OD2 3.18Å; R245-D272 IonicContact NH2-OD2 3.92Å; R245-D272 PolarHBondContact NH2-OD2 3.31Å; W268-D272 HydrophobicContact CD2-CB 4.31Å; W268-D272 HydrophobicContact CE3-CB 4.42Å; W268-D272 HydrophobicContact CH2-CB 3.97Å; W268-D272 HydrophobicContact CZ2-CB 3.87Å; W268-D272 HydrophobicContact CZ3-CB 4.27Å; W268-D272 VanDerWaalsContact O-CB 3.28Å; W268-D272 WeakPolarHBondContact O-CB 3.34Å; W268-D272 PolarHBondContact O-N 3Å; D272-Q276 CarbonylContact O-C 3.53Å; D272-G277 PolarHBondContact O-N 3.34Å; D272-G277 WeakPolarHBondContact OD1-CA 3.4Å; D272-K715 IonicContact OD1-NZ 3.78Å; D272-K715 PolarHBondContact OD1-NZ 2.91Å |
| 273 | F | 89.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -72.7 | -53 | 166.6 | -177.1 | -84.5 | 0 | 0 | 0 | 112.6 | L227 I233 A244 R245 R252 L254 S269 L270 F271 Q276 | L227-F273 HydrophobicContact CD1-CD1 4.31Å; L227-F273 HydrophobicContact CD1-CE1 3.74Å; L227-F273 HydrophobicContact CD1-CE2 4.42Å; L227-F273 HydrophobicContact CD1-CZ 3.82Å; L227-F273 HydrophobicContact CG-CE1 4.11Å; L227-F273 HydrophobicContact CG-CZ 4.34Å; I233-F273 HydrophobicContact CD1-CB 4.07Å; I233-F273 HydrophobicContact CD1-CD1 4.07Å; I233-F273 HydrophobicContact CD1-CD2 3.66Å; I233-F273 HydrophobicContact CD1-CE1 4.49Å; I233-F273 HydrophobicContact CD1-CE2 4.14Å; I233-F273 HydrophobicContact CD1-CG 3.63Å; A244-F273 HydrophobicContact CB-CE2 3.58Å; A244-F273 HydrophobicContact CB-CZ 4Å; R245-F273 HydrophobicContact CG-CD2 3.65Å; R245-F273 HydrophobicContact CG-CE2 3.95Å; R252-F273 HydrophobicContact CB-CD1 4.46Å; R252-F273 HydrophobicContact CB-CE1 4.08Å; R252-F273 VanDerWaalsContact CD-O 3.29Å; R252-F273 WeakPolarHBondContact CD-O 3.37Å; R252-F273 HydrophobicContact CG-CE1 4.17Å; L254-F273 HydrophobicContact CD1-CD1 4.22Å; L254-F273 HydrophobicContact CD2-CD1 3.66Å; L254-F273 HydrophobicContact CD2-CE1 3.85Å; L254-F273 HydrophobicContact CG-CD1 4.27Å; S269-F273 WeakPolarHBondContact O-CB 3.34Å; S269-F273 PolarHBondContact O-N 2.9Å; L270-F273 WeakPolarHBondContact O-CB 3.22Å; L270-F273 PolarHBondContact O-N 2.98Å; F271-F273 PolarHBondContact O-N 2.84Å; F273-Q276 PolarHBondContact O-N 3.48Å |
| 274 | A | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -68.6 | -51.5 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I119 L254 L270 F271 Q276 | I119-A274 HydrophobicContact CG1-CB 4.48Å; L254-A274 HydrophobicContact CD1-CB 3.92Å; L254-A274 HydrophobicContact CG-CB 4.12Å; L270-A274 WeakPolarHBondContact O-CB 3.29Å; L270-A274 PolarHBondContact O-N 3.16Å; F271-A274 PolarHBondContact O-N 3.17Å; A274-Q276 PolarHBondContact O-N 3.28Å |
| 275 | C | 85.7 | Confident | 86 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 14.1 | 178.8 | -55.1 | 0 | 0 | 0 | 0 | 112.5 | F271 G277 S278 L279 Y324 | F271-C275 WeakPolarHBondContact O-CB 3.5Å; F271-C275 PolarHBondContact O-N 3.05Å; C275-G277 PolarHBondContact O-N 3.08Å; C275-S278 PolarHBondContact O-N 2.96Å; C275-S278 VanDerWaalsContact O-N 3.17Å; C275-S278 PolarHBondContact O-OG 3.38Å; C275-S278 VanDerWaalsContact O-OG 3.11Å; C275-L279 HydrophobicContact CB-CB 3.93Å; C275-Y324 VanDerWaalsContact SG-CD1 3.5Å |
| 276 | Q | 81.1 | Confident | 86.2 | Confident | 42 Ų | 42 | 21.8 Ų | 21.8 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.3 | 23 | -177.5 | -52.2 | -179.5 | 2.8 | 0 | 0 | 113.2 | A249 D272 F273 A274 M719 | A249-Q276 PolarHBondContact O-NE2 3.41Å; D272-Q276 CarbonylContact O-C 3.53Å; F273-Q276 PolarHBondContact O-N 3.48Å; A274-Q276 PolarHBondContact O-N 3.28Å; Q276-M719 HydrophobicContact CB-CE 4.16Å; Q276-M719 WeakPolarHBondContact O-CE 3.43Å |
| 277 | G | 75.3 | Confident | 86.3 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.01 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | 7.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | D272 C275 K715 | D272-G277 PolarHBondContact O-N 3.34Å; D272-G277 WeakPolarHBondContact OD1-CA 3.4Å; C275-G277 PolarHBondContact O-N 3.08Å; G277-K715 WeakPolarHBondContact O-CD 3.34Å; G277-K715 WeakPolarHBondContact O-CE 3.14Å; G277-K715 PolarHBondContact O-NZ 2.83Å |
| 278 | S | 74.9 | Confident | 86.3 | Confident | 25 Ų | 25 | 29.2 Ų | 29.2 | 18% | 0.175 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -87.4 | 8.8 | 178.6 | 66.5 | 0 | 0 | 0 | 0 | 115.4 | C275 S712 | C275-S278 PolarHBondContact O-N 2.96Å; C275-S278 VanDerWaalsContact O-N 3.17Å; C275-S278 PolarHBondContact O-OG 3.38Å; C275-S278 VanDerWaalsContact O-OG 3.11Å; S278-S712 WeakPolarHBondContact O-CB 3.42Å; S278-S712 PolarHBondContact O-OG 3.25Å |
| 279 | L | 82.8 | Confident | 86.2 | Confident | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -107.8 | -42.5 | -174.6 | -170.1 | 63.7 | 0 | 0 | 0 | 115.5 | F271 C275 I320 I321 Y324 V708 | F271-L279 HydrophobicContact CB-CD2 4.46Å; F271-L279 HydrophobicContact CD1-CD2 3.96Å; F271-L279 HydrophobicContact CG-CD2 4.3Å; C275-L279 HydrophobicContact CB-CB 3.93Å; L279-I320 HydrophobicContact CD1-CG2 3.69Å; L279-I320 HydrophobicContact CG-CG2 4.01Å; L279-I321 HydrophobicContact CD2-CG2 4.41Å; L279-Y324 HydrophobicContact CD1-CD2 3.94Å; L279-Y324 HydrophobicContact CD1-CE2 3.55Å; L279-Y324 HydrophobicContact CD2-CD2 3.73Å; L279-Y324 HydrophobicContact CD2-CE2 4.16Å; L279-Y324 HydrophobicContact CD2-CG 4.06Å; L279-V708 VanDerWaalsContact O-CG1 3.27Å; L279-V708 WeakPolarHBondContact O-CG1 3.38Å |
| 280 | L | 83.6 | Confident | 86.1 | Confident | 5 Ų | 5 | 28.3 Ų | 28.3 | 3% | 0.026 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -125.1 | 27 | -167.6 | -60.3 | 179.9 | 0 | 0 | 0 | 113.5 | W268 F271 F286 L317 I320 I321 | W268-L280 PolarHBondContact NE1-O 2.75Å; F271-L280 HydrophobicContact CB-CD1 3.77Å; F271-L280 HydrophobicContact CB-CG 4.39Å; F271-L280 HydrophobicContact CD2-CD1 3.79Å; F271-L280 HydrophobicContact CG-CD1 4.09Å; L280-F286 HydrophobicContact CB-CD2 4.31Å; L280-F286 HydrophobicContact CD1-CD2 4.45Å; L280-F286 HydrophobicContact CD1-CE2 4.17Å; L280-L317 HydrophobicContact CD2-CD1 3.82Å; L280-I320 HydrophobicContact CD2-CG2 3.95Å; L280-I321 HydrophobicContact CD1-CG2 4.44Å; L280-I321 HydrophobicContact CD2-CG2 4.19Å |
| 281 | G | 84.3 | Confident | 86 | Confident | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | trans | 55.8 | -147.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | W268 | W268-G281 PolarHBondContact NE1-O 2.88Š| ||
| 282 | T | 86.9 | Confident | 86 | Confident | 61 Ų | 61 | 32.3 Ų | 32.3 | 37% | 0.374 | 16% | 0.163 | S | C | . | . | trans | -88.2 | 153.4 | 175.4 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | K284 T285 F286 E711 | T282-K284 PolarHBondContact O-N 3.01Å; T282-T285 PolarHBondContact O-N 3.38Å; T282-T285 PolarHBondContact OG1-OG1 3.39Å; T282-F286 WeakPolarHBondContact O-CB 3.26Å; T282-F286 PolarHBondContact O-N 2.92Å; T282-E711 VanDerWaalsContact CB-OE2 3.27Å; T282-E711 WeakPolarHBondContact CB-OE2 3.42Å; T282-E711 VanDerWaalsContact CG2-OE2 3.29Å; T282-E711 WeakPolarHBondContact CG2-OE2 3.06Å; T282-E711 PolarHBondContact N-OE2 2.81Å; T282-E711 PolarHBondContact OG1-OE2 3.45Å | ||
| 283 | L | 86.9 | Confident | 85.9 | Confident | 56 Ų | 56 | 32.5 Ų | 32.5 | 29% | 0.293 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -55.9 | -33.4 | 176.8 | 174.9 | 60.6 | 0 | 0 | 0 | 113.3 | Q265 W268 K287 | Q265-L283 HydrophobicContact CG-CD1 3.86Å; W268-L283 HydrophobicContact CD2-CB 4.24Å; W268-L283 HydrophobicContact CD2-CD1 4.12Å; W268-L283 HydrophobicContact CE3-CB 4.09Å; W268-L283 HydrophobicContact CE3-CD1 3.87Å; W268-L283 HydrophobicContact CE3-CG 4.44Å; W268-L283 HydrophobicContact CH2-CB 3.81Å; W268-L283 HydrophobicContact CZ2-CB 3.92Å; W268-L283 VanDerWaalsContact CZ2-N 3.33Å; W268-L283 HydrophobicContact CZ3-CB 3.88Å; W268-L283 HydrophobicContact CZ3-CD1 4.36Å; W268-L283 HydrophobicContact CZ3-CD2 4.48Å; W268-L283 HydrophobicContact CZ3-CG 4.46Å; L283-K287 VanDerWaalsContact O-CB 3.25Å; L283-K287 WeakPolarHBondContact O-CB 3.37Å; L283-K287 PolarHBondContact O-N 3.23Å |
| 284 | K | 87.6 | Confident | 85.7 | Confident | 180 Ų | 180 | 32.5 Ų | 32.5 | 78% | 0.783 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -67.1 | -49.9 | 178.9 | -69.3 | -174.2 | 177.7 | -176.9 | 0 | 111 | T282 K287 M288 | T282-K284 PolarHBondContact O-N 3.01Å; K284-K287 PolarHBondContact O-N 3.02Å; K284-M288 WeakPolarHBondContact O-CB 3.42Å; K284-M288 PolarHBondContact O-N 2.88Å |
| 285 | T | 88.3 | Confident | 85.4 | Confident | 15 Ų | 15 | 34.4 Ų | 34.4 | 9% | 0.092 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67 | -42.1 | 180 | -60.8 | 0 | 0 | 0 | 0 | 111.1 | T282 K287 M288 E289 L707 E711 | T282-T285 PolarHBondContact O-N 3.38Å; T282-T285 PolarHBondContact OG1-OG1 3.39Å; T285-K287 PolarHBondContact O-N 2.95Å; T285-M288 PolarHBondContact O-N 3.47Å; T285-E289 HydrophobicContact CG2-CG 4.46Å; T285-E289 WeakPolarHBondContact O-CB 3.42Å; T285-E289 PolarHBondContact O-N 3.09Å; T285-L707 HydrophobicContact CG2-CB 3.92Å; T285-E711 WeakPolarHBondContact CB-OE1 3.38Å; T285-E711 WeakPolarHBondContact CB-OE2 3.38Å; T285-E711 PolarHBondContact OG1-OE1 3.24Å; T285-E711 PolarHBondContact OG1-OE2 2.97Å |
| 286 | F | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 171.2 | -178.5 | -93.5 | 0 | 0 | 0 | 112.5 | L264 W268 L280 T282 Y290 E291 L317 | L264-F286 HydrophobicContact CB-CE1 4.11Å; L264-F286 HydrophobicContact CB-CZ 4.33Å; W268-F286 HydrophobicContact CB-CD1 3.72Å; W268-F286 HydrophobicContact CB-CD2 4.46Å; W268-F286 HydrophobicContact CB-CE1 3.74Å; W268-F286 HydrophobicContact CB-CE2 4.47Å; W268-F286 HydrophobicContact CB-CG 4.1Å; W268-F286 HydrophobicContact CB-CZ 4.13Å; W268-F286 VanDerWaalsContact CD1-CB 3.49Å; W268-F286 AromaticContact CD1-CD1 3.87Å; W268-F286 AromaticContact CD1-CD2 3.69Å; W268-F286 AromaticContact CD1-CG 3.38Å; W268-F286 HydrophobicContact CG-CB 4.25Å; W268-F286 AromaticContact CG-CD1 3.94Å; W268-F286 HydrophobicContact CG-CD1 3.94Å; W268-F286 HydrophobicContact CG-CD2 4.42Å; W268-F286 HydrophobicContact CG-CE1 4.44Å; W268-F286 AromaticContact CG-CG 3.93Å; W268-F286 HydrophobicContact CG-CG 3.93Å; L280-F286 HydrophobicContact CB-CD2 4.31Å; L280-F286 HydrophobicContact CD1-CD2 4.45Å; L280-F286 HydrophobicContact CD1-CE2 4.17Å; T282-F286 WeakPolarHBondContact O-CB 3.26Å; T282-F286 PolarHBondContact O-N 2.92Å; F286-Y290 HydrophobicContact CD2-CD2 4.14Å; F286-Y290 HydrophobicContact CD2-CG 4.24Å; F286-Y290 HydrophobicContact CE2-CG 4.25Å; F286-Y290 WeakPolarHBondContact O-CA 3.36Å; F286-Y290 WeakPolarHBondContact O-CB 3.41Å; F286-Y290 PolarHBondContact O-N 2.95Å; F286-E291 HydrophobicContact CE1-CB 4.38Å; F286-E291 PolarHBondContact O-N 3.46Å; F286-E291 VanDerWaalsContact O-N 3.08Å; F286-L317 HydrophobicContact CE2-CD1 3.95Å; F286-L317 HydrophobicContact CE2-CD2 4.17Å; F286-L317 HydrophobicContact CZ-CD2 4.27Å |
| 287 | K | 88.5 | Confident | 85.3 | Confident | 68 Ų | 68 | 35.9 Ų | 35.9 | 30% | 0.296 | 18% | 0.181 | S | C | . | . | I | π-helix | trans | -65.1 | -43.1 | -179.3 | -178.6 | 165 | 179.3 | 117.3 | 0 | 112.3 | L283 K284 T285 E291 N292 | L283-K287 VanDerWaalsContact O-CB 3.25Å; L283-K287 WeakPolarHBondContact O-CB 3.37Å; L283-K287 PolarHBondContact O-N 3.23Å; K284-K287 PolarHBondContact O-N 3.02Å; T285-K287 PolarHBondContact O-N 2.95Å; K287-E291 HydrophobicContact CB-CB 4.35Å; K287-E291 HydrophobicContact CG-CB 4.12Å; K287-E291 HydrophobicContact CG-CG 4.4Å; K287-E291 IonicContact NZ-OE1 3.99Å; K287-E291 PolarHBondContact NZ-OE1 3.06Å; K287-E291 PolarHBondContact O-N 2.81Å; K287-N292 WeakPolarHBondContact O-CB 3.1Å; K287-N292 VanDerWaalsContact O-CG 3.23Å; K287-N292 PolarHBondContact O-N 2.8Å; K287-N292 PolarHBondContact O-OD1 3.25Å |
| 288 | M | 88.1 | Confident | 85.2 | Confident | 102 Ų | 102 | 36.3 Ų | 36.3 | 50% | 0.502 | 18% | 0.183 | S | C | . | . | I | π-helix | trans | -68.2 | -45.3 | -179.9 | -177.1 | 174.2 | 66.5 | 0 | 0 | 112.7 | K284 T285 | K284-M288 WeakPolarHBondContact O-CB 3.42Å; K284-M288 PolarHBondContact O-N 2.88Å; T285-M288 PolarHBondContact O-N 3.47Å |
| 289 | E | 88.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -96 | -18.9 | -169.8 | -59.1 | -69 | -160.7 | 0 | 0 | 114.4 | T285 I313 R700 K703 A704 L707 | T285-E289 HydrophobicContact CG2-CG 4.46Å; T285-E289 WeakPolarHBondContact O-CB 3.42Å; T285-E289 PolarHBondContact O-N 3.09Å; E289-I313 WeakPolarHBondContact O-CG2 3.19Å; E289-R700 IonicContact OE1-NH1 2.69Å; E289-R700 IonicContact OE2-CZ 2.78Å; E289-R700 IonicContact OE2-NH1 3.54Å; E289-R700 PolarHBondContact OE2-NH1 3.22Å; E289-R700 IonicContact OE2-NH2 2.69Å; E289-R700 PolarHBondContact OE2-NH2 3.23Å; E289-K703 IonicContact OE1-NZ 3.45Å; E289-K703 PolarHBondContact OE1-NZ 3.27Å; E289-A704 HydrophobicContact CB-CB 3.88Å; E289-A704 HydrophobicContact CG-CB 4.5Å; E289-L707 HydrophobicContact CG-CD1 4.37Å |
| 290 | Y | 87.9 | Confident | 84.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | I | π-helix | trans | -122.9 | -54 | -179.6 | -63.2 | -94.8 | 0 | 0 | 0 | 113.3 | F286 I294 I313 N316 L317 A704 V708 | F286-Y290 HydrophobicContact CD2-CD2 4.14Å; F286-Y290 HydrophobicContact CD2-CG 4.24Å; F286-Y290 HydrophobicContact CE2-CG 4.25Å; F286-Y290 WeakPolarHBondContact O-CA 3.36Å; F286-Y290 WeakPolarHBondContact O-CB 3.41Å; F286-Y290 PolarHBondContact O-N 2.95Å; Y290-I294 WeakPolarHBondContact O-CB 3.47Å; Y290-I294 WeakPolarHBondContact O-CD1 3.45Å; Y290-I294 WeakPolarHBondContact O-CG1 3.46Å; Y290-I294 PolarHBondContact O-N 3.49Å; Y290-I294 VanDerWaalsContact O-N 3.14Å; Y290-I313 HydrophobicContact CD1-CG2 3.65Å; Y290-I313 HydrophobicContact CE1-CG2 4.29Å; Y290-I313 HydrophobicContact CG-CG2 4.22Å; Y290-N316 PolarHBondContact OH-ND2 2.94Å; Y290-L317 HydrophobicContact CD1-CB 3.87Å; Y290-L317 HydrophobicContact CD1-CD1 4.2Å; Y290-L317 HydrophobicContact CD1-CD2 4.38Å; Y290-L317 HydrophobicContact CD1-CG 4.37Å; Y290-L317 HydrophobicContact CE1-CB 4.07Å; Y290-L317 HydrophobicContact CE1-CD1 4.41Å; Y290-A704 HydrophobicContact CE2-CB 3.95Å; Y290-A704 VanDerWaalsContact OH-C 3.28Å; Y290-A704 PolarHBondContact OH-O 2.7Å; Y290-V708 HydrophobicContact CE2-CG2 3.74Å |
| 291 | E | 88 | Confident | 84.4 | Confident | 6 Ų | 6 | 43.4 Ų | 43.4 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -63.5 | -50.9 | -174.6 | -174.8 | 178.6 | 139.1 | 0 | 0 | 112.6 | N263 L264 F286 K287 T295 | N263-E291 PolarHBondContact ND2-OE1 2.78Å; L264-E291 HydrophobicContact CB-CB 4.48Å; L264-E291 HydrophobicContact CB-CG 4.19Å; L264-E291 HydrophobicContact CD1-CB 4.42Å; L264-E291 HydrophobicContact CD1-CG 4.32Å; F286-E291 HydrophobicContact CE1-CB 4.38Å; F286-E291 PolarHBondContact O-N 3.46Å; F286-E291 VanDerWaalsContact O-N 3.08Å; K287-E291 HydrophobicContact CB-CB 4.35Å; K287-E291 HydrophobicContact CG-CB 4.12Å; K287-E291 HydrophobicContact CG-CG 4.4Å; K287-E291 IonicContact NZ-OE1 3.99Å; K287-E291 PolarHBondContact NZ-OE1 3.06Å; K287-E291 PolarHBondContact O-N 2.81Å; E291-T295 VanDerWaalsContact O-CB 3.27Å; E291-T295 WeakPolarHBondContact O-CB 3.35Å; E291-T295 PolarHBondContact O-N 2.86Å; E291-T295 PolarHBondContact O-OG1 2.92Å |
| 292 | N | 89.1 | Confident | 84.2 | Confident | 80 Ų | 80 | 43.6 Ų | 43.6 | 43% | 0.428 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64 | -49.2 | -176.5 | -69.8 | -5.3 | 0 | 0 | 0 | 111.8 | K287 T295 R296 | K287-N292 WeakPolarHBondContact O-CB 3.1Å; K287-N292 VanDerWaalsContact O-CG 3.23Å; K287-N292 PolarHBondContact O-N 2.8Å; K287-N292 PolarHBondContact O-OD1 3.25Å; N292-T295 PolarHBondContact O-N 2.94Å; N292-R296 WeakPolarHBondContact O-CB 3.41Å; N292-R296 PolarHBondContact O-N 3.37Å |
| 293 | P | 87.3 | Confident | 84.1 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 11% | 0.11 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.7 | -24.1 | 35.9 | 0 | 0 | 0 | 113.9 | T295 R296 A297 I313 | P293-T295 VanDerWaalsContact C-N 3.27Å; P293-T295 PolarHBondContact O-N 2.94Å; P293-R296 PolarHBondContact O-N 3.01Å; P293-A297 WeakPolarHBondContact O-CB 3.24Å; P293-A297 PolarHBondContact O-N 3.34Å; P293-I313 HydrophobicContact CB-CD1 3.65Å; P293-I313 HydrophobicContact CG-CD1 3.89Å |
| 294 | I | 85.7 | Confident | 83.7 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -30.7 | 178.8 | -64.9 | 171.2 | 0 | 0 | 0 | 111.1 | L264 Y290 R298 I313 L317 L604 | L264-I294 HydrophobicContact CD1-CB 3.85Å; L264-I294 HydrophobicContact CD1-CD1 4.36Å; L264-I294 HydrophobicContact CD1-CG2 3.76Å; Y290-I294 WeakPolarHBondContact O-CB 3.47Å; Y290-I294 WeakPolarHBondContact O-CD1 3.45Å; Y290-I294 WeakPolarHBondContact O-CG1 3.46Å; Y290-I294 PolarHBondContact O-N 3.49Å; Y290-I294 VanDerWaalsContact O-N 3.14Å; I294-R298 WeakPolarHBondContact O-CD 3.38Å; I294-R298 WeakPolarHBondContact O-CG 3.43Å; I294-R298 PolarHBondContact O-NE 3.19Å; I294-R298 VanDerWaalsContact O-NE 3.08Å; I294-I313 HydrophobicContact CD1-CG2 4.11Å; I294-I313 HydrophobicContact CG1-CG2 4.01Å; I294-L317 HydrophobicContact CD1-CD2 4.09Å; I294-L604 HydrophobicContact CG2-CD1 4.46Å |
| 295 | T | 83.5 | Confident | 83.4 | Confident | 40 Ų | 40 | 37 Ų | 37 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -76.3 | -48.5 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 111.1 | E291 N292 P293 A297 R298 | E291-T295 VanDerWaalsContact O-CB 3.27Å; E291-T295 WeakPolarHBondContact O-CB 3.35Å; E291-T295 PolarHBondContact O-N 2.86Å; E291-T295 PolarHBondContact O-OG1 2.92Å; N292-T295 PolarHBondContact O-N 2.94Å; P293-T295 VanDerWaalsContact C-N 3.27Å; P293-T295 PolarHBondContact O-N 2.94Å; T295-A297 VanDerWaalsContact C-N 3.31Å; T295-A297 PolarHBondContact O-N 2.99Å; T295-R298 WeakPolarHBondContact O-CB 3.47Å; T295-R298 PolarHBondContact O-N 3.36Å; T295-R298 VanDerWaalsContact O-N 3.16Å |
| 296 | R | 83.3 | Confident | 83.1 | Confident | 68 Ų | 68 | 39 Ų | 39 | 26% | 0.257 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.6 | -42.8 | 177.8 | 177.9 | 56.2 | -173 | 150 | 13.7 | 111.6 | N292 P293 R298 E299 D301 A302 E306 | N292-R296 WeakPolarHBondContact O-CB 3.41Å; N292-R296 PolarHBondContact O-N 3.37Å; P293-R296 PolarHBondContact O-N 3.01Å; R296-R298 PolarHBondContact O-N 3Å; R296-E299 VanDerWaalsContact CD-OE2 3.27Å; R296-E299 WeakPolarHBondContact CD-OE2 3.22Å; R296-E299 IonicContact CZ-OE2 2.8Å; R296-E299 IonicContact NE-OE2 3.8Å; R296-E299 IonicContact NH1-OE2 3.68Å; R296-E299 PolarHBondContact NH1-OE2 3.38Å; R296-E299 PolarHBondContact O-N 2.89Å; R296-E299 VanDerWaalsContact O-N 3.12Å; R296-D301 IonicContact CZ-OD2 2.81Å; R296-D301 IonicContact NH1-OD2 3.1Å; R296-D301 PolarHBondContact NH1-OD2 3.42Å; R296-D301 PolarHBondContact NH2-O 3.19Å; R296-D301 IonicContact NH2-OD2 3.7Å; R296-A302 WeakPolarHBondContact O-CB 3.48Å; R296-E306 HydrophobicContact CG-CG 4.45Å; R296-E306 WeakPolarHBondContact CG-OE1 3.28Å; R296-E306 IonicContact CZ-OE1 2.77Å; R296-E306 IonicContact CZ-OE2 3.39Å; R296-E306 VanDerWaalsContact NE-CD 3.26Å; R296-E306 IonicContact NE-OE1 3.65Å; R296-E306 PolarHBondContact NE-OE1 3.49Å; R296-E306 IonicContact NE-OE2 2.77Å; R296-E306 PolarHBondContact NE-OE2 2.86Å; R296-E306 VanDerWaalsContact NE-OE2 3.1Å; R296-E306 IonicContact NH2-OE1 3.28Å; R296-E306 IonicContact NH2-OE2 3.16Å; R296-E306 PolarHBondContact NH2-OE2 3.01Å |
| 297 | A | 81 | Confident | 82.8 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 7% | 0.066 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 0.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | P293 T295 E306 R617 | P293-A297 WeakPolarHBondContact O-CB 3.24Å; P293-A297 PolarHBondContact O-N 3.34Å; T295-A297 VanDerWaalsContact C-N 3.31Å; T295-A297 PolarHBondContact O-N 2.99Å; A297-E306 WeakPolarHBondContact CB-O 3.32Å; A297-R617 PolarHBondContact O-NH1 3.31Å; A297-R617 PolarHBondContact O-NH2 3.18Å |
| 298 | R | 72.1 | Confident | 82.5 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 4% | 0.038 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | -17.4 | 176.6 | -66 | 163 | -179.3 | -81.1 | 2.6 | 113.5 | I294 T295 R296 F600 S603 | I294-R298 WeakPolarHBondContact O-CD 3.38Å; I294-R298 WeakPolarHBondContact O-CG 3.43Å; I294-R298 PolarHBondContact O-NE 3.19Å; I294-R298 VanDerWaalsContact O-NE 3.08Å; T295-R298 WeakPolarHBondContact O-CB 3.47Å; T295-R298 PolarHBondContact O-N 3.36Å; T295-R298 VanDerWaalsContact O-N 3.16Å; R296-R298 PolarHBondContact O-N 3Å; R298-F600 HydrophobicContact CB-CE2 3.83Å; R298-F600 HydrophobicContact CB-CZ 3.91Å; R298-S603 VanDerWaalsContact NH1-C 3.28Å; R298-S603 PolarHBondContact NH1-O 3.34Å |
| 299 | E | 75.8 | Confident | 82.3 | Confident | 9 Ų | 9 | 35 Ų | 35 | 4% | 0.042 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -65.6 | 136.4 | -179.4 | -51.3 | -169.2 | 139.3 | 0 | 0 | 107.7 | R296 D301 A302 K621 | R296-E299 VanDerWaalsContact CD-OE2 3.27Å; R296-E299 WeakPolarHBondContact CD-OE2 3.22Å; R296-E299 IonicContact CZ-OE2 2.8Å; R296-E299 IonicContact NE-OE2 3.8Å; R296-E299 IonicContact NH1-OE2 3.68Å; R296-E299 PolarHBondContact NH1-OE2 3.38Å; R296-E299 PolarHBondContact O-N 2.89Å; R296-E299 VanDerWaalsContact O-N 3.12Å; E299-D301 PolarHBondContact O-N 2.92Å; E299-A302 WeakPolarHBondContact O-CB 3.4Å; E299-A302 PolarHBondContact O-N 3.43Å; E299-K621 VanDerWaalsContact OE1-CG 3.27Å; E299-K621 WeakPolarHBondContact OE1-CG 3.27Å; E299-K621 IonicContact OE1-NZ 2.96Å; E299-K621 PolarHBondContact OE1-NZ 2.83Å; E299-K621 IonicContact OE2-NZ 2.68Å; E299-K621 PolarHBondContact OE2-NZ 3.16Å; E299-K621 VanDerWaalsContact OE2-NZ 3.07Å |
| 300 | K | 71.9 | Confident | 82.1 | Confident | 109 Ų | 109 | 35 Ų | 35 | 47% | 0.474 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -27.2 | -178.8 | 175.2 | 177.7 | 163 | -163.1 | 0 | 112 | F619 E623 | K300-F619 WeakPolarHBondContact CB-O 3.3Å; K300-F619 PolarHBondContact N-O 3.14Å; K300-E623 IonicContact NZ-OE1 3.67Å; K300-E623 PolarHBondContact NZ-OE1 2.95Å; K300-E623 IonicContact NZ-OE2 3.68Å |
| 301 | D | 77.2 | Confident | 81.8 | Confident | 79 Ų | 79 | 36.9 Ų | 36.9 | 42% | 0.422 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 14.3 | 176.2 | 56.2 | -75.4 | 0 | 0 | 0 | 114.7 | R296 E299 S620 | R296-D301 IonicContact CZ-OD2 2.81Å; R296-D301 IonicContact NH1-OD2 3.1Å; R296-D301 PolarHBondContact NH1-OD2 3.42Å; R296-D301 PolarHBondContact NH2-O 3.19Å; R296-D301 IonicContact NH2-OD2 3.7Å; E299-D301 PolarHBondContact O-N 2.92Å; D301-S620 WeakPolarHBondContact OD1-CB 3.26Å |
| 302 | A | 80.7 | Confident | 81.6 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 5% | 0.05 | 22% | 0.215 | C | C | . | . | trans | -77.2 | 135.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R296 E299 E306 K307 | R296-A302 WeakPolarHBondContact O-CB 3.48Å; E299-A302 WeakPolarHBondContact O-CB 3.4Å; E299-A302 PolarHBondContact O-N 3.43Å; A302-E306 WeakPolarHBondContact CA-OE2 3.47Å; A302-E306 HydrophobicContact CB-CB 4.27Å; A302-K307 WeakPolarHBondContact O-CE 3.48Å | ||
| 303 | T | 84.2 | Confident | 81.5 | Confident | 72 Ų | 72 | 37.4 Ų | 37.4 | 44% | 0.442 | 20% | 0.195 | S | C | . | . | trans | -69.6 | 153.3 | 177.8 | 74.6 | 0 | 0 | 0 | 0 | 111.3 | G305 E306 K307 | T303-G305 VanDerWaalsContact C-N 3.29Å; T303-G305 PolarHBondContact O-N 3.03Å; T303-E306 PolarHBondContact N-OE2 2.84Å; T303-E306 WeakPolarHBondContact O-CA 3.48Å; T303-E306 WeakPolarHBondContact O-CB 3.36Å; T303-E306 PolarHBondContact O-N 2.88Å; T303-E306 WeakPolarHBondContact OG1-CG 3.44Å; T303-E306 PolarHBondContact OG1-N 3.26Å; T303-K307 VanDerWaalsContact O-CG 3.3Å; T303-K307 WeakPolarHBondContact O-CG 3.34Å; T303-K307 PolarHBondContact O-N 3.39Å | ||
| 304 | P | 80 | Confident | 81.3 | Confident | 80 Ų | 80 | 36.9 Ų | 36.9 | 52% | 0.519 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -48.6 | -44.4 | 179.8 | -30.1 | 37.1 | 0 | 0 | 0 | 114.4 | E306 K307 A308 | P304-E306 PolarHBondContact O-N 3.36Å; P304-K307 WeakPolarHBondContact O-CA 3.36Å; P304-K307 VanDerWaalsContact O-CB 3.23Å; P304-K307 WeakPolarHBondContact O-CB 3.16Å; P304-K307 PolarHBondContact O-N 3.43Å; P304-A308 PolarHBondContact O-N 3Å |
| 305 | G | 79.8 | Confident | 81.3 | Confident | 7 Ų | 7 | 40.6 Ų | 40.6 | 7% | 0.072 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | T303 K307 A308 L309 E693 | T303-G305 VanDerWaalsContact C-N 3.29Å; T303-G305 PolarHBondContact O-N 3.03Å; G305-K307 VanDerWaalsContact C-N 3.32Å; G305-K307 PolarHBondContact O-N 3.42Å; G305-A308 PolarHBondContact O-N 2.95Å; G305-L309 WeakPolarHBondContact O-CB 3.32Å; G305-L309 PolarHBondContact O-N 2.76Å; G305-E693 VanDerWaalsContact CA-CD 3.46Å; G305-E693 WeakPolarHBondContact CA-OE1 3.41Å; G305-E693 WeakPolarHBondContact CA-OE2 3.44Å; G305-E693 PolarHBondContact N-OE2 2.69Å |
| 306 | E | 83.6 | Confident | 81.5 | Confident | 56 Ų | 56 | 39.3 Ų | 39.3 | 26% | 0.262 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.4 | -38.9 | 171.1 | -67.3 | 178.8 | 124 | 0 | 0 | 111.4 | R296 A297 A302 T303 P304 G310 | R296-E306 HydrophobicContact CG-CG 4.45Å; R296-E306 WeakPolarHBondContact CG-OE1 3.28Å; R296-E306 IonicContact CZ-OE1 2.77Å; R296-E306 IonicContact CZ-OE2 3.39Å; R296-E306 VanDerWaalsContact NE-CD 3.26Å; R296-E306 IonicContact NE-OE1 3.65Å; R296-E306 PolarHBondContact NE-OE1 3.49Å; R296-E306 IonicContact NE-OE2 2.77Å; R296-E306 PolarHBondContact NE-OE2 2.86Å; R296-E306 VanDerWaalsContact NE-OE2 3.1Å; R296-E306 IonicContact NH2-OE1 3.28Å; R296-E306 IonicContact NH2-OE2 3.16Å; R296-E306 PolarHBondContact NH2-OE2 3.01Å; A297-E306 WeakPolarHBondContact CB-O 3.32Å; A302-E306 WeakPolarHBondContact CA-OE2 3.47Å; A302-E306 HydrophobicContact CB-CB 4.27Å; T303-E306 PolarHBondContact N-OE2 2.84Å; T303-E306 WeakPolarHBondContact O-CA 3.48Å; T303-E306 WeakPolarHBondContact O-CB 3.36Å; T303-E306 PolarHBondContact O-N 2.88Å; T303-E306 WeakPolarHBondContact OG1-CG 3.44Å; T303-E306 PolarHBondContact OG1-N 3.26Å; P304-E306 PolarHBondContact O-N 3.36Å; E306-G310 PolarHBondContact O-N 3.18Å |
| 307 | K | 81.8 | Confident | 81.7 | Confident | 40 Ų | 40 | 36.1 Ų | 36.1 | 17% | 0.174 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.2 | -52.8 | 175.2 | -48.3 | -170.2 | -178.5 | 168 | 0 | 110.8 | A302 T303 P304 G305 F311 R617 E686 | A302-K307 WeakPolarHBondContact O-CE 3.48Å; T303-K307 VanDerWaalsContact O-CG 3.3Å; T303-K307 WeakPolarHBondContact O-CG 3.34Å; T303-K307 PolarHBondContact O-N 3.39Å; P304-K307 WeakPolarHBondContact O-CA 3.36Å; P304-K307 VanDerWaalsContact O-CB 3.23Å; P304-K307 WeakPolarHBondContact O-CB 3.16Å; P304-K307 PolarHBondContact O-N 3.43Å; G305-K307 VanDerWaalsContact C-N 3.32Å; G305-K307 PolarHBondContact O-N 3.42Å; K307-F311 WeakPolarHBondContact O-CB 3.47Å; K307-F311 PolarHBondContact O-N 2.93Å; K307-R617 VanDerWaalsContact CB-NH2 3.35Å; K307-E686 WeakPolarHBondContact CD-OE2 3.26Å; K307-E686 IonicContact NZ-OE1 2.58Å; K307-E686 PolarHBondContact NZ-OE1 3.13Å; K307-E686 IonicContact NZ-OE2 2.61Å |
| 308 | A | 82.4 | Confident | 81.8 | Confident | 24 Ų | 24 | 37.5 Ų | 37.5 | 20% | 0.198 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P304 G305 F311 K312 V690 I697 | P304-A308 PolarHBondContact O-N 3Å; G305-A308 PolarHBondContact O-N 2.95Å; A308-F311 PolarHBondContact O-N 2.83Å; A308-K312 WeakPolarHBondContact O-CG 3.4Å; A308-K312 PolarHBondContact O-N 3.19Å; A308-V690 HydrophobicContact CB-CG1 4.07Å; A308-I697 HydrophobicContact CB-CD1 3.64Å |
| 309 | L | 83.9 | Confident | 82.6 | Confident | 22 Ų | 22 | 40.1 Ų | 40.1 | 12% | 0.115 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -53 | 175.6 | 179.9 | 61.3 | 0 | 0 | 0 | 111.9 | G305 F311 K312 I313 Y696 I697 R700 | G305-L309 WeakPolarHBondContact O-CB 3.32Å; G305-L309 PolarHBondContact O-N 2.76Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 PolarHBondContact O-N 3.27Å; L309-K312 PolarHBondContact O-N 3Å; L309-I313 HydrophobicContact CD1-CD1 3.63Å; L309-I313 HydrophobicContact CD1-CG1 4.2Å; L309-I313 HydrophobicContact CG-CD1 3.82Å; L309-I313 WeakPolarHBondContact O-CB 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.36Å; L309-I313 PolarHBondContact O-N 3.25Å; L309-Y696 HydrophobicContact CD2-CE1 4.49Å; L309-I697 HydrophobicContact CB-CG1 4.13Å; L309-I697 HydrophobicContact CD1-CB 4.38Å; L309-I697 HydrophobicContact CD1-CG1 4.2Å; L309-I697 HydrophobicContact CD1-CG2 4.14Å; L309-R700 HydrophobicContact CD1-CB 3.64Å; L309-R700 HydrophobicContact CD1-CG 3.99Å |
| 310 | G | 84 | Confident | 83.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.5 | -32.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | E306 S314 | E306-G310 PolarHBondContact O-N 3.18Å; G310-S314 WeakPolarHBondContact O-CB 3.34Å; G310-S314 PolarHBondContact O-N 3.49Å; G310-S314 PolarHBondContact O-OG 3.09Å |
| 311 | F | 81.7 | Confident | 83.9 | Confident | 41 Ų | 41 | 36.4 Ų | 36.4 | 18% | 0.18 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -53.4 | 171.3 | -177.4 | -108.4 | 0 | 0 | 0 | 111.5 | K307 A308 L309 I313 S314 E315 N614 | K307-F311 WeakPolarHBondContact O-CB 3.47Å; K307-F311 PolarHBondContact O-N 2.93Å; A308-F311 PolarHBondContact O-N 2.83Å; L309-F311 VanDerWaalsContact C-N 3.29Å; L309-F311 PolarHBondContact O-N 3.27Å; F311-I313 VanDerWaalsContact C-N 3.35Å; F311-I313 PolarHBondContact O-N 3.14Å; F311-S314 CarbonylContact O-C 3.59Å; F311-S314 WeakPolarHBondContact O-CA 3.33Å; F311-S314 WeakPolarHBondContact O-CB 3.33Å; F311-S314 PolarHBondContact O-N 3.49Å; F311-S314 PolarHBondContact O-OG 3.48Å; F311-E315 HydrophobicContact CD1-CG 4.42Å; F311-E315 HydrophobicContact CE1-CG 3.98Å; F311-E315 WeakPolarHBondContact CE1-OE1 3.43Å; F311-E315 WeakPolarHBondContact CE1-OE2 3.34Å; F311-E315 HydrophobicContact CE2-CG 4.39Å; F311-E315 HydrophobicContact CZ-CG 3.96Å; F311-E315 WeakPolarHBondContact CZ-OE1 3.33Å; F311-E315 PolarHBondContact O-N 3.06Å; F311-N614 WeakPolarHBondContact CD2-OD1 3.33Å; F311-N614 WeakPolarHBondContact CE2-OD1 3.25Å |
| 312 | K | 84.3 | Confident | 84.5 | Confident | 96 Ų | 96 | 40.1 Ų | 40.1 | 42% | 0.417 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.1 | -36.2 | -179.4 | -70.2 | -73.5 | 159.3 | -156.5 | 0 | 113.1 | A308 L309 S314 E315 N316 I697 V701 | A308-K312 WeakPolarHBondContact O-CG 3.4Å; A308-K312 PolarHBondContact O-N 3.19Å; L309-K312 PolarHBondContact O-N 3Å; K312-S314 VanDerWaalsContact C-N 3.34Å; K312-E315 WeakPolarHBondContact CD-OE2 3.13Å; K312-E315 WeakPolarHBondContact CE-OE2 3.38Å; K312-E315 IonicContact NZ-OE2 3.54Å; K312-E315 PolarHBondContact NZ-OE2 2.94Å; K312-E315 PolarHBondContact O-N 3.42Å; K312-N316 WeakPolarHBondContact O-CB 3.39Å; K312-N316 PolarHBondContact O-N 2.86Å; K312-I697 HydrophobicContact CB-CG2 3.72Å; K312-I697 HydrophobicContact CG-CG2 3.79Å; K312-V701 HydrophobicContact CB-CG2 4.13Å |
| 313 | I | 86.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.7 | -36.8 | 171.6 | -70.9 | 173.1 | 0 | 0 | 0 | 111.1 | E289 Y290 P293 I294 L309 F311 N316 L317 V701 | E289-I313 WeakPolarHBondContact O-CG2 3.19Å; Y290-I313 HydrophobicContact CD1-CG2 3.65Å; Y290-I313 HydrophobicContact CE1-CG2 4.29Å; Y290-I313 HydrophobicContact CG-CG2 4.22Å; P293-I313 HydrophobicContact CB-CD1 3.65Å; P293-I313 HydrophobicContact CG-CD1 3.89Å; I294-I313 HydrophobicContact CD1-CG2 4.11Å; I294-I313 HydrophobicContact CG1-CG2 4.01Å; L309-I313 HydrophobicContact CD1-CD1 3.63Å; L309-I313 HydrophobicContact CD1-CG1 4.2Å; L309-I313 HydrophobicContact CG-CD1 3.82Å; L309-I313 WeakPolarHBondContact O-CB 3.3Å; L309-I313 WeakPolarHBondContact O-CG1 3.36Å; L309-I313 PolarHBondContact O-N 3.25Å; F311-I313 VanDerWaalsContact C-N 3.35Å; F311-I313 PolarHBondContact O-N 3.14Å; I313-N316 PolarHBondContact O-N 3.2Å; I313-L317 PolarHBondContact O-N 2.78Å; I313-V701 HydrophobicContact CG1-CG2 3.82Å |
| 314 | S | 84.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 41.2 Ų | 41.2 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.4 | -39.3 | 173.9 | 78.1 | 0 | 0 | 0 | 0 | 112.9 | G310 F311 K312 L317 M318 Q607 | G310-S314 WeakPolarHBondContact O-CB 3.34Å; G310-S314 PolarHBondContact O-N 3.49Å; G310-S314 PolarHBondContact O-OG 3.09Å; F311-S314 CarbonylContact O-C 3.59Å; F311-S314 WeakPolarHBondContact O-CA 3.33Å; F311-S314 WeakPolarHBondContact O-CB 3.33Å; F311-S314 PolarHBondContact O-N 3.49Å; F311-S314 PolarHBondContact O-OG 3.48Å; K312-S314 VanDerWaalsContact C-N 3.34Å; S314-L317 PolarHBondContact O-N 3.04Å; S314-M318 WeakPolarHBondContact O-CB 3.32Å; S314-M318 VanDerWaalsContact O-CG 3.27Å; S314-M318 WeakPolarHBondContact O-CG 3.43Å; S314-M318 PolarHBondContact O-N 3.19Å; S314-Q607 PolarHBondContact OG-NE2 3.27Å |
| 315 | E | 84.5 | Confident | 85.8 | Confident | 79 Ų | 79 | 38.1 Ų | 38.1 | 37% | 0.369 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.4 | -42.6 | 173.7 | -70.2 | -172.8 | 127.6 | 0 | 0 | 111.7 | F311 K312 M318 A319 | F311-E315 HydrophobicContact CD1-CG 4.42Å; F311-E315 HydrophobicContact CE1-CG 3.98Å; F311-E315 WeakPolarHBondContact CE1-OE1 3.43Å; F311-E315 WeakPolarHBondContact CE1-OE2 3.34Å; F311-E315 HydrophobicContact CE2-CG 4.39Å; F311-E315 HydrophobicContact CZ-CG 3.96Å; F311-E315 WeakPolarHBondContact CZ-OE1 3.33Å; F311-E315 PolarHBondContact O-N 3.06Å; K312-E315 WeakPolarHBondContact CD-OE2 3.13Å; K312-E315 WeakPolarHBondContact CE-OE2 3.38Å; K312-E315 IonicContact NZ-OE2 3.54Å; K312-E315 PolarHBondContact NZ-OE2 2.94Å; K312-E315 PolarHBondContact O-N 3.42Å; E315-M318 PolarHBondContact O-N 3.08Å; E315-A319 PolarHBondContact O-N 3.06Å |
| 316 | N | 87.9 | Confident | 86.3 | Confident | 13 Ų | 13 | 39.3 Ų | 39.3 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61 | -49.1 | 174.8 | 177 | 42 | 0 | 0 | 0 | 112 | Y290 K312 I313 M318 A319 I320 V701 Q705 | Y290-N316 PolarHBondContact OH-ND2 2.94Å; K312-N316 WeakPolarHBondContact O-CB 3.39Å; K312-N316 PolarHBondContact O-N 2.86Å; I313-N316 PolarHBondContact O-N 3.2Å; N316-M318 VanDerWaalsContact C-N 3.29Å; N316-M318 PolarHBondContact O-N 3.18Å; N316-A319 WeakPolarHBondContact O-CB 3.43Å; N316-A319 PolarHBondContact O-N 2.96Å; N316-A319 VanDerWaalsContact O-N 3.11Å; N316-I320 WeakPolarHBondContact O-CG1 3.21Å; N316-I320 PolarHBondContact O-N 3.24Å; N316-I320 VanDerWaalsContact O-N 3.11Å; N316-V701 HydrophobicContact CB-CG1 3.86Å; N316-Q705 WeakPolarHBondContact OD1-CG 3.47Å; N316-Q705 PolarHBondContact OD1-NE2 3Å |
| 317 | L | 87.4 | Confident | 86.6 | Confident | 1 Ų | 1 | 39 Ų | 39 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -43.1 | 176.4 | -178.3 | 58.4 | 0 | 0 | 0 | 111.6 | L280 F286 Y290 I294 I313 S314 A319 I320 I321 T608 | L280-L317 HydrophobicContact CD2-CD1 3.82Å; F286-L317 HydrophobicContact CE2-CD1 3.95Å; F286-L317 HydrophobicContact CE2-CD2 4.17Å; F286-L317 HydrophobicContact CZ-CD2 4.27Å; Y290-L317 HydrophobicContact CD1-CB 3.87Å; Y290-L317 HydrophobicContact CD1-CD1 4.2Å; Y290-L317 HydrophobicContact CD1-CD2 4.38Å; Y290-L317 HydrophobicContact CD1-CG 4.37Å; Y290-L317 HydrophobicContact CE1-CB 4.07Å; Y290-L317 HydrophobicContact CE1-CD1 4.41Å; I294-L317 HydrophobicContact CD1-CD2 4.09Å; I313-L317 PolarHBondContact O-N 2.78Å; S314-L317 PolarHBondContact O-N 3.04Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-A319 PolarHBondContact O-N 3.47Å; L317-I320 PolarHBondContact O-N 2.72Å; L317-I321 HydrophobicContact CD1-CG2 4.12Å; L317-I321 WeakPolarHBondContact O-CG1 3.23Å; L317-I321 PolarHBondContact O-N 3.01Å; L317-T608 HydrophobicContact CD2-CG2 4.22Å |
| 318 | M | 84.3 | Confident | 86.9 | Confident | 37 Ų | 37 | 37.9 Ų | 37.9 | 18% | 0.182 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61.1 | -40.4 | 175.8 | -73.8 | -58.6 | -60.7 | 0 | 0 | 112.2 | S314 E315 N316 I320 I321 K322 T608 | S314-M318 WeakPolarHBondContact O-CB 3.32Å; S314-M318 VanDerWaalsContact O-CG 3.27Å; S314-M318 WeakPolarHBondContact O-CG 3.43Å; S314-M318 PolarHBondContact O-N 3.19Å; E315-M318 PolarHBondContact O-N 3.08Å; N316-M318 VanDerWaalsContact C-N 3.29Å; N316-M318 PolarHBondContact O-N 3.18Å; M318-I320 PolarHBondContact O-N 3.02Å; M318-I321 PolarHBondContact O-N 3.46Å; M318-I321 HydrophobicContact SD-CD1 3.99Å; M318-I321 HydrophobicContact SD-CG1 4.46Å; M318-K322 WeakPolarHBondContact O-CB 2.96Å; M318-K322 PolarHBondContact O-N 3.26Å; M318-T608 VanDerWaalsContact SD-C 3.6Å |
| 319 | A | 87.1 | Confident | 87 | Confident | 66 Ų | 66 | 37.5 Ų | 37.5 | 55% | 0.545 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E315 N316 L317 | E315-A319 PolarHBondContact O-N 3.06Å; N316-A319 WeakPolarHBondContact O-CB 3.43Å; N316-A319 PolarHBondContact O-N 2.96Å; N316-A319 VanDerWaalsContact O-N 3.11Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-A319 PolarHBondContact O-N 3.47Å |
| 320 | I | 87.9 | Confident | 86.9 | Confident | 40 Ų | 40 | 37 Ų | 37 | 21% | 0.205 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -42.8 | 179 | -64.5 | 165.8 | 0 | 0 | 0 | 111.7 | L279 L280 N316 L317 M318 P323 | L279-I320 HydrophobicContact CD1-CG2 3.69Å; L279-I320 HydrophobicContact CG-CG2 4.01Å; L280-I320 HydrophobicContact CD2-CG2 3.95Å; N316-I320 WeakPolarHBondContact O-CG1 3.21Å; N316-I320 PolarHBondContact O-N 3.24Å; N316-I320 VanDerWaalsContact O-N 3.11Å; L317-I320 PolarHBondContact O-N 2.72Å; M318-I320 PolarHBondContact O-N 3.02Å; I320-P323 WeakPolarHBondContact O-CD 3.21Å |
| 321 | I | 88.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -86 | -24.7 | -174.3 | 70.9 | -180 | 0 | 0 | 0 | 114.4 | L267 F271 L279 L280 L317 M318 P323 Y324 F325 | L267-I321 HydrophobicContact CD2-CD1 4.29Å; F271-I321 HydrophobicContact CD2-CG2 4.02Å; F271-I321 HydrophobicContact CE1-CB 4.15Å; F271-I321 HydrophobicContact CE1-CG2 4.39Å; F271-I321 HydrophobicContact CE2-CB 3.85Å; F271-I321 HydrophobicContact CE2-CD1 3.92Å; F271-I321 HydrophobicContact CE2-CG1 4.45Å; F271-I321 HydrophobicContact CE2-CG2 3.61Å; F271-I321 HydrophobicContact CZ-CB 3.58Å; F271-I321 HydrophobicContact CZ-CD1 4.06Å; F271-I321 HydrophobicContact CZ-CG1 4.26Å; F271-I321 HydrophobicContact CZ-CG2 3.85Å; L279-I321 HydrophobicContact CD2-CG2 4.41Å; L280-I321 HydrophobicContact CD1-CG2 4.44Å; L280-I321 HydrophobicContact CD2-CG2 4.19Å; L317-I321 HydrophobicContact CD1-CG2 4.12Å; L317-I321 WeakPolarHBondContact O-CG1 3.23Å; L317-I321 PolarHBondContact O-N 3.01Å; M318-I321 PolarHBondContact O-N 3.46Å; M318-I321 HydrophobicContact SD-CD1 3.99Å; M318-I321 HydrophobicContact SD-CG1 4.46Å; I321-P323 VanDerWaalsContact C-N 3.33Å; I321-Y324 CarbonylContact O-C 3.56Å; I321-Y324 WeakPolarHBondContact O-CA 3.3Å; I321-Y324 PolarHBondContact O-N 2.97Å; I321-F325 VanDerWaalsContact O-CB 3.31Å; I321-F325 WeakPolarHBondContact O-CB 3.42Å; I321-F325 PolarHBondContact O-N 3.07Å; I321-F325 VanDerWaalsContact O-N 3.07Å |
| 322 | K | 88.3 | Confident | 86.3 | Confident | 156 Ų | 156 | 42 Ų | 42 | 68% | 0.678 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52 | -34.6 | -177.1 | 178.9 | 175.2 | -177.9 | 178.5 | 0 | 115.5 | M318 Y324 | M318-K322 WeakPolarHBondContact O-CB 2.96Å; M318-K322 PolarHBondContact O-N 3.26Å; K322-Y324 PolarHBondContact O-N 2.96Å |
| 323 | P | 90.6 | Very high | 86 | Confident | 52 Ų | 52 | 38 Ų | 38 | 34% | 0.338 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -14.2 | 174.6 | -19.7 | 33.8 | 0 | 0 | 0 | 114.9 | L110 R115 I320 I321 | L110-P323 VanDerWaalsContact CD2-O 3.3Å; L110-P323 WeakPolarHBondContact CD2-O 3.41Å; R115-P323 PolarHBondContact NH1-O 2.97Å; I320-P323 WeakPolarHBondContact O-CD 3.21Å; I321-P323 VanDerWaalsContact C-N 3.33Å |
| 324 | Y | 90.9 | Very high | 85.4 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 19% | 0.192 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | -5.2 | -175.9 | -61.9 | -90.1 | 0 | 0 | 0 | 113.1 | R115 G118 I119 C275 L279 I321 K322 | R115-Y324 HydrophobicContact CB-CD1 4.39Å; R115-Y324 HydrophobicContact CB-CE1 3.84Å; R115-Y324 HydrophobicContact CG-CE1 3.79Å; G118-Y324 CarbonylContact C-O 3.58Å; G118-Y324 VanDerWaalsContact CA-O 3.3Å; G118-Y324 WeakPolarHBondContact CA-O 3.27Å; I119-Y324 PolarHBondContact N-O 3.36Å; C275-Y324 VanDerWaalsContact SG-CD1 3.5Å; L279-Y324 HydrophobicContact CD1-CD2 3.94Å; L279-Y324 HydrophobicContact CD1-CE2 3.55Å; L279-Y324 HydrophobicContact CD2-CD2 3.73Å; L279-Y324 HydrophobicContact CD2-CE2 4.16Å; L279-Y324 HydrophobicContact CD2-CG 4.06Å; I321-Y324 CarbonylContact O-C 3.56Å; I321-Y324 WeakPolarHBondContact O-CA 3.3Å; I321-Y324 PolarHBondContact O-N 2.97Å; K322-Y324 PolarHBondContact O-N 2.96Å |
| 325 | F | 90.9 | Very high | 84.7 | Confident | 16 Ų | 16 | 45.8 Ų | 45.8 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 118.6 | -168.4 | -178.8 | -96.9 | 0 | 0 | 0 | 111.5 | I119 A121 P259 F271 I321 R327 T609 | I119-F325 HydrophobicContact CB-CD2 4.04Å; I119-F325 HydrophobicContact CG2-CD2 4.25Å; I119-F325 HydrophobicContact CG2-CE2 4.4Å; A121-F325 HydrophobicContact CB-CD2 4.38Å; A121-F325 HydrophobicContact CB-CE2 3.54Å; A121-F325 HydrophobicContact CB-CZ 3.74Å; P259-F325 HydrophobicContact CB-CE2 3.85Å; P259-F325 HydrophobicContact CB-CZ 4.23Å; P259-F325 HydrophobicContact CG-CE2 4.15Å; P259-F325 HydrophobicContact CG-CZ 4.01Å; F271-F325 HydrophobicContact CE1-CB 4.19Å; F271-F325 HydrophobicContact CE1-CD2 4.5Å; F271-F325 HydrophobicContact CZ-CB 3.89Å; F271-F325 AromaticContact CZ-CD2 3.8Å; F271-F325 HydrophobicContact CZ-CD2 3.8Å; F271-F325 HydrophobicContact CZ-CG 4.15Å; I321-F325 VanDerWaalsContact O-CB 3.31Å; I321-F325 WeakPolarHBondContact O-CB 3.42Å; I321-F325 PolarHBondContact O-N 3.07Å; I321-F325 VanDerWaalsContact O-N 3.07Å; F325-R327 HydrophobicContact CD1-CB 4.46Å; F325-R327 HydrophobicContact CE1-CB 3.54Å; F325-R327 HydrophobicContact CZ-CB 3.73Å; F325-T609 HydrophobicContact CE1-CG2 4.07Å; F325-T609 HydrophobicContact CZ-CG2 3.68Å |
| 326 | L | 91.3 | Very high | 83.7 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 113.6 | 172.6 | 179.6 | 59.6 | 0 | 0 | 0 | 110.1 | F106 I119 L120 A121 R328 | F106-L326 HydrophobicContact CB-CD2 3.79Å; F106-L326 HydrophobicContact CD1-CB 3.71Å; F106-L326 HydrophobicContact CD1-CD2 3.66Å; F106-L326 HydrophobicContact CD1-CG 4.34Å; F106-L326 HydrophobicContact CD2-CB 4.25Å; F106-L326 HydrophobicContact CD2-CD2 4.5Å; F106-L326 HydrophobicContact CE1-CB 3.55Å; F106-L326 HydrophobicContact CE1-CD2 4.37Å; F106-L326 HydrophobicContact CE2-CB 4.11Å; F106-L326 HydrophobicContact CG-CB 4.06Å; F106-L326 HydrophobicContact CG-CD2 3.73Å; F106-L326 HydrophobicContact CG-CG 4.48Å; F106-L326 HydrophobicContact CZ-CB 3.76Å; I119-L326 PolarHBondContact O-N 2.9Å; L120-L326 HydrophobicContact CD1-CB 4.3Å; L120-L326 HydrophobicContact CD1-CD2 3.95Å; L120-L326 HydrophobicContact CD1-CG 4.21Å; A121-L326 WeakPolarHBondContact CA-O 3.47Å; A121-L326 PolarHBondContact N-O 3.2Å; L326-R328 HydrophobicContact CD1-CG 4.22Å |
| 327 | R | 88.9 | Confident | 82.3 | Confident | 49 Ų | 49 | 50.5 Ų | 50.5 | 19% | 0.185 | 25% | 0.246 | C | C | . | . | trans | -124.8 | 142.6 | 167.4 | -179.7 | 157.7 | -169 | -120.4 | -24 | 109.4 | A121 D123 F325 T609 E611 | A121-R327 HydrophobicContact CB-CB 4.05Å; A121-R327 HydrophobicContact CB-CG 4.49Å; A121-R327 WeakPolarHBondContact O-CD 3.31Å; A121-R327 VanDerWaalsContact O-CG 3.28Å; A121-R327 WeakPolarHBondContact O-CG 3.19Å; D123-R327 IonicContact OD1-CZ 3.6Å; D123-R327 IonicContact OD1-NE 3.37Å; D123-R327 IonicContact OD1-NH2 3.69Å; D123-R327 PolarHBondContact OD1-NH2 3.19Å; F325-R327 HydrophobicContact CD1-CB 4.46Å; F325-R327 HydrophobicContact CE1-CB 3.54Å; F325-R327 HydrophobicContact CZ-CB 3.73Å; R327-T609 PolarHBondContact NH1-OG1 3.23Å; R327-E611 WeakPolarHBondContact CD-OE1 3.37Å; R327-E611 IonicContact CZ-OE1 2.75Å; R327-E611 IonicContact CZ-OE2 3.49Å; R327-E611 VanDerWaalsContact CZ-OE2 3.25Å; R327-E611 IonicContact NE-OE1 2.8Å; R327-E611 PolarHBondContact NE-OE1 3.15Å; R327-E611 IonicContact NH1-OE1 3.99Å; R327-E611 PolarHBondContact NH1-OE1 3.49Å; R327-E611 IonicContact NH1-OE2 3.12Å; R327-E611 PolarHBondContact NH1-OE2 3.09Å; R327-E611 IonicContact NH2-OE1 2.78Å; R327-E611 PolarHBondContact NH2-OE1 2.82Å; R327-E611 VanDerWaalsContact NH2-OE1 3.09Å; R327-E611 IonicContact NH2-OE2 3.38Å; R327-E611 PolarHBondContact NH2-OE2 3.19Å | ||
| 328 | R | 88.1 | Confident | 80.7 | Confident | 17 Ų | 17 | 55.1 Ų | 55.1 | 6% | 0.064 | 28% | 0.278 | C | S | . | . | trans | -144 | 133.5 | 175.9 | -67.4 | 171 | -71.7 | -159.3 | 6.1 | 108.2 | H99 E102 D122 D123 L126 L326 V333 | H99-R328 PolarHBondContact O-NH1 2.9Å; H99-R328 PolarHBondContact O-NH2 2.72Å; E102-R328 VanDerWaalsContact CB-NH1 3.31Å; E102-R328 IonicContact OE2-NH1 2.67Å; E102-R328 PolarHBondContact OE2-NH1 3.22Å; D122-R328 IonicContact OD1-CZ 2.64Å; D122-R328 IonicContact OD1-NE 3.66Å; D122-R328 PolarHBondContact OD1-NE 3.2Å; D122-R328 IonicContact OD1-NH2 2.69Å; D122-R328 PolarHBondContact OD1-NH2 3.07Å; D122-R328 VanDerWaalsContact OD1-NH2 3.16Å; D122-R328 IonicContact OD2-CZ 2.9Å; D122-R328 IonicContact OD2-NE 3.89Å; D122-R328 IonicContact OD2-NH2 2.74Å; D122-R328 PolarHBondContact OD2-NH2 3Å; D123-R328 PolarHBondContact N-O 2.96Å; D123-R328 VanDerWaalsContact N-O 3.13Å; L126-R328 HydrophobicContact CD1-CB 4.46Å; L126-R328 WeakPolarHBondContact CD1-O 3.31Å; L326-R328 HydrophobicContact CD1-CG 4.22Å; R328-V333 HydrophobicContact CB-CG2 4.41Å | ||
| 329 | T | 84.2 | Confident | 78.7 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.104 | 30% | 0.295 | C | S | . | . | trans | -84 | 162.6 | 175.6 | 71.6 | 0 | 0 | 0 | 0 | 112.1 | D123 E331 D332 V333 E611 | D123-T329 WeakPolarHBondContact OD2-CA 3.36Å; D123-T329 WeakPolarHBondContact OD2-CB 3.49Å; T329-E331 PolarHBondContact O-N 3.45Å; T329-E331 WeakPolarHBondContact OG1-CB 3.31Å; T329-E331 PolarHBondContact OG1-N 3.3Å; T329-D332 WeakPolarHBondContact CB-OD2 3.44Å; T329-D332 WeakPolarHBondContact CG2-OD2 3.43Å; T329-D332 PolarHBondContact N-OD2 2.96Å; T329-D332 PolarHBondContact O-N 2.84Å; T329-D332 PolarHBondContact OG1-N 2.89Å; T329-D332 PolarHBondContact OG1-OD1 3.22Å; T329-D332 PolarHBondContact OG1-OD2 3.18Å; T329-V333 PolarHBondContact O-N 3.41Å; T329-E611 VanDerWaalsContact CG2-CD 3.49Å; T329-E611 HydrophobicContact CG2-CG 4.27Å; T329-E611 WeakPolarHBondContact CG2-OE1 3.26Å | ||
| 330 | K | 82.3 | Confident | 76.7 | Confident | 11 Ų | 11 | 59.4 Ų | 59.4 | 5% | 0.048 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58 | -28.8 | 166.4 | -66.8 | 170.9 | -169 | -179.4 | 0 | 112.6 | D123 M124 L126 Q334 L361 D568 Y571 | D123-K330 HydrophobicContact CB-CG 3.98Å; D123-K330 PolarHBondContact OD2-N 2.85Å; M124-K330 WeakPolarHBondContact O-CE 3.45Å; M124-K330 PolarHBondContact O-NZ 3.36Å; L126-K330 HydrophobicContact CD2-CG 4.3Å; K330-Q334 WeakPolarHBondContact O-CG 3.28Å; K330-Q334 PolarHBondContact O-NE2 3.13Å; K330-L361 HydrophobicContact CB-CD1 4.21Å; K330-L361 HydrophobicContact CD-CD1 4.16Å; K330-L361 HydrophobicContact CG-CD1 4.18Å; K330-D568 IonicContact NZ-OD1 3.61Å; K330-D568 PolarHBondContact NZ-OD1 3.17Å; K330-D568 IonicContact NZ-OD2 3.16Å; K330-D568 PolarHBondContact NZ-OD2 2.7Å; K330-Y571 HydrophobicContact CB-CE1 4.49Å; K330-Y571 HydrophobicContact CD-CD1 3.8Å; K330-Y571 HydrophobicContact CD-CE1 3.5Å; K330-Y571 PolarHBondContact NZ-O 3.03Å |
| 331 | E | 76.4 | Confident | 74.6 | Confident | 91 Ų | 91 | 62.8 Ų | 62.8 | 43% | 0.425 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.1 | -42.4 | 175.1 | -61.4 | -175.2 | -160.3 | 0 | 0 | 111.8 | T329 V333 Q334 K335 | T329-E331 PolarHBondContact O-N 3.45Å; T329-E331 WeakPolarHBondContact OG1-CB 3.31Å; T329-E331 PolarHBondContact OG1-N 3.3Å; E331-V333 PolarHBondContact O-N 3.08Å; E331-Q334 CarbonylContact O-C 3.57Å; E331-Q334 WeakPolarHBondContact O-CA 3.46Å; E331-Q334 WeakPolarHBondContact O-CB 3.49Å; E331-Q334 PolarHBondContact O-N 3.2Å; E331-K335 HydrophobicContact CB-CD 4.5Å; E331-K335 VanDerWaalsContact O-CG 3.3Å; E331-K335 WeakPolarHBondContact O-CG 3.45Å; E331-K335 PolarHBondContact O-N 2.79Å; E331-K335 WeakPolarHBondContact OE2-CE 3.43Å; E331-K335 IonicContact OE2-NZ 2.7Å; E331-K335 PolarHBondContact OE2-NZ 2.94Å |
| 332 | D | 76.6 | Confident | 72.3 | Confident | 56 Ų | 56 | 71 Ų | 71 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69 | -37 | -173.6 | -51.7 | -41 | 0 | 0 | 0 | 111.9 | T329 Q334 K335 K336 | T329-D332 WeakPolarHBondContact CB-OD2 3.44Å; T329-D332 WeakPolarHBondContact CG2-OD2 3.43Å; T329-D332 PolarHBondContact N-OD2 2.96Å; T329-D332 PolarHBondContact O-N 2.84Å; T329-D332 PolarHBondContact OG1-N 2.89Å; T329-D332 PolarHBondContact OG1-OD1 3.22Å; T329-D332 PolarHBondContact OG1-OD2 3.18Å; D332-Q334 PolarHBondContact O-N 3.18Å; D332-K335 PolarHBondContact O-N 2.76Å; D332-K335 IonicContact OD1-NZ 3.26Å; D332-K335 PolarHBondContact OD1-NZ 2.63Å; D332-K336 WeakPolarHBondContact O-CB 3.39Å; D332-K336 WeakPolarHBondContact O-CG 3.41Å; D332-K336 PolarHBondContact O-N 2.75Å |
| 333 | V | 78.3 | Confident | 69.8 | Low | 12 Ų | 12 | 69.6 Ų | 69.6 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.7 | -24.4 | 173.2 | -176.2 | 0 | 0 | 0 | 0 | 111.6 | H99 L126 R328 T329 E331 M358 | H99-V333 HydrophobicContact CB-CG1 4.25Å; H99-V333 HydrophobicContact CB-CG2 4.12Å; L126-V333 HydrophobicContact CD1-CG2 4.16Å; L126-V333 HydrophobicContact CD2-CG2 4.29Å; R328-V333 HydrophobicContact CB-CG2 4.41Å; T329-V333 PolarHBondContact O-N 3.41Å; E331-V333 PolarHBondContact O-N 3.08Å; V333-M358 HydrophobicContact CB-CE 4.44Å; V333-M358 HydrophobicContact CG1-CE 3.66Å; V333-M358 HydrophobicContact CG1-SD 3.7Å |
| 334 | Q | 73.8 | Confident | 67.2 | Low | 69 Ų | 69 | 77 Ų | 77 | 32% | 0.322 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -79.7 | -47.1 | 169.3 | -67.7 | 174.9 | 31.8 | 0 | 0 | 111.7 | K330 E331 D332 K336 K337 S338 | K330-Q334 WeakPolarHBondContact O-CG 3.28Å; K330-Q334 PolarHBondContact O-NE2 3.13Å; E331-Q334 CarbonylContact O-C 3.57Å; E331-Q334 WeakPolarHBondContact O-CA 3.46Å; E331-Q334 WeakPolarHBondContact O-CB 3.49Å; E331-Q334 PolarHBondContact O-N 3.2Å; D332-Q334 PolarHBondContact O-N 3.18Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 2.94Å; Q334-K337 WeakPolarHBondContact O-CB 3.41Å; Q334-K337 PolarHBondContact O-N 3.3Å; Q334-S338 PolarHBondContact O-N 2.88Å |
| 335 | K | 70.1 | Confident | 64.5 | Low | 100 Ų | 100 | 81.9 Ų | 81.9 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.6 | -41.7 | -179.6 | -68.7 | 163.5 | -167.7 | 154.8 | 0 | 112.1 | E331 D332 K337 S338 S339 | E331-K335 HydrophobicContact CB-CD 4.5Å; E331-K335 VanDerWaalsContact O-CG 3.3Å; E331-K335 WeakPolarHBondContact O-CG 3.45Å; E331-K335 PolarHBondContact O-N 2.79Å; E331-K335 WeakPolarHBondContact OE2-CE 3.43Å; E331-K335 IonicContact OE2-NZ 2.7Å; E331-K335 PolarHBondContact OE2-NZ 2.94Å; D332-K335 PolarHBondContact O-N 2.76Å; D332-K335 IonicContact OD1-NZ 3.26Å; D332-K335 PolarHBondContact OD1-NZ 2.63Å; K335-K337 PolarHBondContact O-N 3.15Å; K335-S338 WeakPolarHBondContact CA-OG 3.46Å; K335-S338 PolarHBondContact O-N 3.44Å; K335-S338 VanDerWaalsContact O-N 3.1Å; K335-S338 PolarHBondContact O-OG 3.39Å; K335-S339 PolarHBondContact O-N 3.28Å; K335-S339 VanDerWaalsContact O-N 3.1Å; K335-S339 PolarHBondContact O-OG 3.06Å |
| 336 | K | 63.5 | Low | 61.8 | Low | 97 Ų | 97 | 88 Ų | 88 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -57 | -26.1 | 174.5 | -83.3 | -170.4 | 175.4 | -173 | 0 | 114 | E102 D332 Q334 S339 N340 | E102-K336 IonicContact OE1-NZ 3.98Å; E102-K336 PolarHBondContact OE1-NZ 3.22Å; E102-K336 IonicContact OE2-NZ 2.96Å; E102-K336 PolarHBondContact OE2-NZ 3.08Å; D332-K336 WeakPolarHBondContact O-CB 3.39Å; D332-K336 WeakPolarHBondContact O-CG 3.41Å; D332-K336 PolarHBondContact O-N 2.75Å; Q334-K336 VanDerWaalsContact C-N 3.33Å; Q334-K336 PolarHBondContact O-N 2.94Å; K336-S339 WeakPolarHBondContact CA-OG 3.15Å; K336-S339 PolarHBondContact O-OG 2.96Å; K336-S339 VanDerWaalsContact O-OG 3.05Å; K336-N340 PolarHBondContact O-OD1 3.18Å |
| 337 | K | 57.9 | Low | 59.2 | Low | 94 Ų | 94 | 94.4 Ų | 94.4 | 41% | 0.409 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -75.7 | -45.8 | 174.2 | -66.2 | -179.5 | 162.6 | -136.3 | 0 | 111.4 | Q334 K335 S339 N340 M358 | Q334-K337 WeakPolarHBondContact O-CB 3.41Å; Q334-K337 PolarHBondContact O-N 3.3Å; K335-K337 PolarHBondContact O-N 3.15Å; K337-S339 PolarHBondContact O-N 3.42Å; K337-N340 PolarHBondContact O-N 2.91Å; K337-M358 PolarHBondContact NZ-O 3.25Å |
| 338 | S | 53.9 | Low | 56.9 | Low | 98 Ų | 98 | 102 Ų | 102 | 69% | 0.685 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -22.3 | 178.9 | 43.3 | 0 | 0 | 0 | 0 | 113.9 | Q334 K335 | Q334-S338 PolarHBondContact O-N 2.88Å; K335-S338 WeakPolarHBondContact CA-OG 3.46Å; K335-S338 PolarHBondContact O-N 3.44Å; K335-S338 VanDerWaalsContact O-N 3.1Å; K335-S338 PolarHBondContact O-OG 3.39Å |
| 339 | S | 43.1 | Very low | 54.2 | Low | 76 Ų | 76 | 107 Ų | 107 | 53% | 0.531 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | -10.4 | 176.9 | 59.4 | 0 | 0 | 0 | 0 | 114.9 | K335 K336 K337 P341 | K335-S339 PolarHBondContact O-N 3.28Å; K335-S339 VanDerWaalsContact O-N 3.1Å; K335-S339 PolarHBondContact O-OG 3.06Å; K336-S339 WeakPolarHBondContact CA-OG 3.15Å; K336-S339 PolarHBondContact O-OG 2.96Å; K336-S339 VanDerWaalsContact O-OG 3.05Å; K337-S339 PolarHBondContact O-N 3.42Å; S339-P341 WeakPolarHBondContact O-CD 3.5Å |
| 340 | N | 45.4 | Very low | 52.1 | Low | 117 Ų | 117 | 112.1 Ų | 112.1 | 63% | 0.626 | 57% | 0.574 | S | S | * | * | trans | -118.4 | 67.7 | -173.8 | -67 | 28.8 | 0 | 0 | 0 | 112 | K336 K337 E342 | K336-N340 PolarHBondContact O-OD1 3.18Å; K337-N340 PolarHBondContact O-N 2.91Å; N340-E342 PolarHBondContact O-N 3.41Å | ||
| 341 | P | 43.6 | Very low | 49.9 | Very low | 111 Ų | 111 | 118 Ų | 118 | 72% | 0.721 | 61% | 0.606 | S | S | * | * | trans | -82.5 | 16.4 | 178.8 | 36.6 | -37.9 | 0 | 0 | 0 | 114.4 | S339 | S339-P341 WeakPolarHBondContact O-CD 3.5Š| ||
| 342 | E | 40 | Very low | 48.2 | Very low | 173 Ų | 173 | 119.8 Ų | 119.8 | 81% | 0.808 | 62% | 0.623 | S | S | * | * | trans | -123.3 | 127.3 | 179 | -61.1 | 179.4 | -178.4 | 0 | 0 | 108.3 | N340 | N340-E342 PolarHBondContact O-N 3.41Š| ||
| 343 | V | 36.3 | Very low | 46.3 | Very low | 126 Ų | 126 | 122.1 Ų | 122.1 | 76% | 0.764 | 64% | 0.635 | S | S | * | * | cis | -123.1 | 128.7 | 11.3 | 176.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 344 | R | 36.7 | Very low | 44.3 | Very low | 208 Ų | 208 | 126.5 Ų | 126.5 | 79% | 0.785 | 67% | 0.673 | S | S | * | * | trans | -133.3 | 76.7 | 161.2 | -79.9 | -167.8 | 173.8 | 170.8 | 3 | 111 | E357 | R344-E357 IonicContact CZ-OE1 3.79Å; R344-E357 IonicContact NH2-OE1 2.76Å; R344-E357 PolarHBondContact NH2-OE1 3.25Å | ||
| 345 | L | 34.3 | Very low | 42.8 | Very low | 150 Ų | 150 | 130 Ų | 130 | 79% | 0.785 | 69% | 0.692 | S | S | * | * | trans | -123.2 | 134.2 | 162.2 | -77.5 | 176.8 | 0 | 0 | 0 | 110.3 | ||||
| 346 | N | 34 | Very low | 41.7 | Very low | 144 Ų | 144 | 127.4 Ų | 127.4 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 79.5 | 141.7 | 168.8 | -60.6 | -4.7 | 0 | 0 | 0 | 120.1 | ||
| 347 | E | 35.9 | Very low | 41 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 78% | 0.78 | 69% | 0.691 | S | S | * | * | trans | 62.5 | 102 | 160.6 | -72.6 | 166.1 | -137.7 | 0 | 0 | 120.2 | N349 | E347-N349 PolarHBondContact O-N 3.22Š| ||
| 348 | K | 40.5 | Very low | 40.5 | Very low | 207 Ų | 207 | 124.1 Ų | 124.1 | 90% | 0.9 | 67% | 0.674 | S | S | * | * | trans | -74.3 | 90.7 | 162.8 | -64.3 | 177.3 | -179.9 | 178.3 | 0 | 110.3 | ||||
| 349 | N | 31 | Very low | 40.8 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 66% | 0.658 | 66% | 0.66 | S | S | * | * | trans | -94 | 128.4 | 153.7 | -69 | -46.3 | 0 | 0 | 0 | 107.8 | E347 D351 | E347-N349 PolarHBondContact O-N 3.22Å; N349-D351 VanDerWaalsContact C-N 3.32Å | ||
| 350 | P | 41.2 | Very low | 41.5 | Very low | 124 Ų | 124 | 123.9 Ų | 123.9 | 81% | 0.805 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -78.5 | -17.6 | -177.4 | 31.9 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 351 | D | 36 | Very low | 42.3 | Very low | 134 Ų | 134 | 119 Ų | 119 | 72% | 0.717 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -115 | 116.6 | 176.7 | -63.8 | -65.2 | 0 | 0 | 0 | 109.8 | N349 | N349-D351 VanDerWaalsContact C-N 3.32Š|
| 352 | V | 40.5 | Very low | 43.5 | Very low | 130 Ų | 130 | 114.5 Ų | 114.5 | 79% | 0.788 | 62% | 0.616 | S | S | * | * | S | Bend | trans | 150 | 133.7 | 159.3 | 158.2 | 0 | 0 | 0 | 0 | 109.4 | ||
| 353 | D | 35.8 | Very low | 45.4 | Very low | 105 Ų | 105 | 109.3 Ų | 109.3 | 56% | 0.561 | 59% | 0.589 | S | S | * | * | trans | 46.7 | 83.2 | 166.6 | -63.3 | 4 | 0 | 0 | 0 | 118 | R90 I355 | R90-D353 IonicContact NH2-OD1 3.33Å; R90-D353 IonicContact NH2-OD2 3.19Å; R90-D353 PolarHBondContact NH2-OD2 2.91Å; R90-D353 VanDerWaalsContact NH2-OD2 3.08Å; D353-I355 VanDerWaalsContact C-N 3.35Å; D353-I355 PolarHBondContact O-N 3.38Å | ||
| 354 | A | 36.5 | Very low | 47.7 | Very low | 103 Ų | 103 | 105.5 Ų | 105.5 | 85% | 0.851 | 56% | 0.562 | S | S | * | * | trans | -71.1 | 82.7 | 168.4 | 0 | 0 | 0 | 0 | 0 | 112 | C356 | A354-C356 PolarHBondContact O-N 2.96Š| ||
| 355 | I | 43.3 | Very low | 50.1 | Low | 142 Ų | 142 | 96.2 Ų | 96.2 | 73% | 0.728 | 53% | 0.528 | S | S | * | . | trans | -53.2 | 125.1 | 173.5 | -59.8 | 174.5 | 0 | 0 | 0 | 109.9 | D353 E357 | D353-I355 VanDerWaalsContact C-N 3.35Å; D353-I355 PolarHBondContact O-N 3.38Å; I355-E357 VanDerWaalsContact C-N 3.32Å; I355-E357 PolarHBondContact O-N 2.91Å | ||
| 356 | C | 45.5 | Very low | 52.6 | Low | 47 Ų | 47 | 89.2 Ų | 89.2 | 32% | 0.318 | 49% | 0.491 | S | S | . | . | trans | -72.1 | 81.8 | -179.8 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | D94 Q95 F97 A354 M358 | D94-C356 WeakPolarHBondContact O-CB 3.48Å; Q95-C356 PolarHBondContact O-SG 2.72Å; F97-C356 WeakPolarHBondContact CD1-O 3.2Å; F97-C356 WeakPolarHBondContact CE1-SG 3.31Å; A354-C356 PolarHBondContact O-N 2.96Å; C356-M358 PolarHBondContact O-N 3.21Å | ||
| 357 | E | 49.4 | Very low | 55.3 | Low | 113 Ų | 113 | 82.4 Ų | 82.4 | 53% | 0.528 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 124.8 | 173.8 | -69.3 | -168 | -163.8 | 0 | 0 | 111.2 | R344 I355 | R344-E357 IonicContact CZ-OE1 3.79Å; R344-E357 IonicContact NH2-OE1 2.76Å; R344-E357 PolarHBondContact NH2-OE1 3.25Å; I355-E357 VanDerWaalsContact C-N 3.32Å; I355-E357 PolarHBondContact O-N 2.91Å |
| 358 | M | 48.7 | Very low | 57.9 | Low | 9 Ų | 9 | 74.5 Ų | 74.5 | 4% | 0.044 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 127.6 | 174.4 | -170.6 | -171.9 | 78.1 | 0 | 0 | 110.4 | F97 V333 K337 C356 S360 I573 | F97-M358 HydrophobicContact CB-CB 4.45Å; F97-M358 HydrophobicContact CD1-CB 3.72Å; F97-M358 HydrophobicContact CD1-CG 4.34Å; F97-M358 HydrophobicContact CD2-CB 4.24Å; F97-M358 HydrophobicContact CD2-CG 4.03Å; F97-M358 HydrophobicContact CE1-CB 3.96Å; F97-M358 HydrophobicContact CE1-CG 4.34Å; F97-M358 HydrophobicContact CE2-CB 4.45Å; F97-M358 HydrophobicContact CE2-CG 4.03Å; F97-M358 HydrophobicContact CG-CB 3.89Å; F97-M358 HydrophobicContact CG-CG 4.2Å; F97-M358 HydrophobicContact CZ-CB 4.32Å; F97-M358 HydrophobicContact CZ-CG 4.19Å; V333-M358 HydrophobicContact CB-CE 4.44Å; V333-M358 HydrophobicContact CG1-CE 3.66Å; V333-M358 HydrophobicContact CG1-SD 3.7Å; K337-M358 PolarHBondContact NZ-O 3.25Å; C356-M358 PolarHBondContact O-N 3.21Å; M358-S360 PolarHBondContact O-N 3.01Å; M358-I573 HydrophobicContact CG-CD1 4.34Å; M358-I573 HydrophobicContact SD-CD1 4.18Å |
| 359 | P | 59.8 | Low | 60.3 | Low | 61 Ų | 61 | 64.6 Ų | 64.6 | 40% | 0.396 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 141.4 | 178 | 25.6 | -34.7 | 0 | 0 | 0 | 110.3 | L361 I573 | P359-L361 PolarHBondContact O-N 3.26Å; P359-L361 VanDerWaalsContact O-N 3.14Å; P359-I573 HydrophobicContact CG-CG2 3.93Å |
| 360 | S | 57.3 | Low | 63.1 | Low | 108 Ų | 108 | 58.8 Ų | 58.8 | 76% | 0.755 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 117 | 169.4 | 41.9 | 0 | 0 | 0 | 0 | 108.9 | M358 | M358-S360 PolarHBondContact O-N 3.01Š|
| 361 | L | 62.2 | Low | 65.5 | Low | 15 Ų | 15 | 53.1 Ų | 53.1 | 8% | 0.079 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 140.2 | 168.6 | -62.6 | 177.1 | 0 | 0 | 0 | 108.1 | K330 P359 Y571 I573 | K330-L361 HydrophobicContact CB-CD1 4.21Å; K330-L361 HydrophobicContact CD-CD1 4.16Å; K330-L361 HydrophobicContact CG-CD1 4.18Å; P359-L361 PolarHBondContact O-N 3.26Å; P359-L361 VanDerWaalsContact O-N 3.14Å; L361-Y571 HydrophobicContact CB-CE2 3.92Å; L361-Y571 HydrophobicContact CD1-CE2 4.29Å; L361-I573 HydrophobicContact CD2-CG1 4.17Å |
| 362 | S | 69.4 | Low | 68.1 | Low | 16 Ų | 16 | 51.9 Ų | 51.9 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 168.4 | 173.7 | 59.5 | 0 | 0 | 0 | 0 | 111.6 | K364 Y571 Q575 Q577 | S362-K364 PolarHBondContact O-N 3.2Å; S362-Y571 WeakPolarHBondContact O-CE2 3.39Å; S362-Q575 WeakPolarHBondContact OG-CG 3.31Å; S362-Q577 WeakPolarHBondContact CB-O 2.91Å; S362-Q577 PolarHBondContact OG-O 2.79Å |
| 363 | R | 78.4 | Confident | 70.3 | Confident | 63 Ų | 63 | 46 Ų | 46 | 24% | 0.238 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 127.4 | 179.9 | -173.6 | -177 | 155.8 | 169.6 | -0.8 | 110.5 | N365 N578 V579 K651 S652 D653 | R363-N365 VanDerWaalsContact CZ-OD1 3.23Å; R363-N365 PolarHBondContact NE-ND2 2.84Å; R363-N365 PolarHBondContact NE-OD1 3.16Å; R363-N365 PolarHBondContact NH2-OD1 2.85Å; R363-N578 HydrophobicContact CB-CB 4.35Å; R363-N578 WeakPolarHBondContact CB-OD1 3.45Å; R363-N578 PolarHBondContact N-OD1 3.11Å; R363-N578 CarbonylContact O-C 3.33Å; R363-N578 VanDerWaalsContact O-CA 3.3Å; R363-N578 WeakPolarHBondContact O-CA 3.11Å; R363-V579 PolarHBondContact O-N 2.83Å; R363-K651 PolarHBondContact NH2-O 2.67Å; R363-S652 PolarHBondContact NH1-O 3.12Å; R363-S652 VanDerWaalsContact NH1-O 3.1Å; R363-D653 IonicContact CZ-OD1 2.74Å; R363-D653 IonicContact NH1-OD1 2.73Å; R363-D653 PolarHBondContact NH1-OD1 2.92Å |
| 364 | K | 86 | Confident | 72.9 | Confident | 46 Ų | 46 | 42.3 Ų | 42.3 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 134.6 | 165.9 | -165.3 | -157 | 68.6 | 150.9 | 0 | 109.3 | S362 D366 V567 Y571 V579 D675 | S362-K364 PolarHBondContact O-N 3.2Å; K364-D366 IonicContact NZ-OD2 3.34Å; K364-D366 PolarHBondContact NZ-OD2 3.44Å; K364-V567 HydrophobicContact CD-CG1 4.3Å; K364-Y571 HydrophobicContact CB-CD1 4.35Å; K364-Y571 HydrophobicContact CB-CD2 4.2Å; K364-Y571 HydrophobicContact CB-CE1 4.18Å; K364-Y571 HydrophobicContact CB-CE2 4.07Å; K364-Y571 HydrophobicContact CB-CG 4.37Å; K364-Y571 HydrophobicContact CD-CD1 4.12Å; K364-Y571 HydrophobicContact CD-CE1 4.46Å; K364-Y571 HydrophobicContact CD-CG 4.49Å; K364-Y571 HydrophobicContact CG-CD1 4.38Å; K364-Y571 HydrophobicContact CG-CG 4.35Å; K364-V579 CarbonylContact C-O 3.51Å; K364-V579 WeakPolarHBondContact CA-O 3.4Å; K364-D675 WeakPolarHBondContact CE-OD2 3.48Å; K364-D675 IonicContact NZ-OD1 3.21Å; K364-D675 PolarHBondContact NZ-OD1 2.67Å; K364-D675 IonicContact NZ-OD2 2.88Å; K364-D675 PolarHBondContact NZ-OD2 3.47Å |
| 365 | N | 85.9 | Confident | 75.3 | Confident | 13 Ų | 13 | 42.4 Ų | 42.4 | 7% | 0.07 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.4 | 165.2 | -60.6 | -42.5 | 0 | 0 | 0 | 108.5 | R363 V579 V580 V581 L656 | R363-N365 VanDerWaalsContact CZ-OD1 3.23Å; R363-N365 PolarHBondContact NE-ND2 2.84Å; R363-N365 PolarHBondContact NE-OD1 3.16Å; R363-N365 PolarHBondContact NH2-OD1 2.85Å; N365-V579 PolarHBondContact N-O 2.92Å; N365-V580 WeakPolarHBondContact O-CA 3.42Å; N365-V581 PolarHBondContact O-N 3.2Å; N365-L656 WeakPolarHBondContact ND2-CD2 3.28Å |
| 366 | D | 88.2 | Confident | 77.3 | Confident | 4 Ų | 4 | 38.2 Ų | 38.2 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 97.9 | -175.3 | -156.3 | -31.4 | 0 | 0 | 0 | 109.4 | K364 R583 H674 D675 | K364-D366 IonicContact NZ-OD2 3.34Å; K364-D366 PolarHBondContact NZ-OD2 3.44Å; D366-R583 IonicContact OD1-CZ 3.12Å; D366-R583 IonicContact OD1-NE 2.67Å; D366-R583 PolarHBondContact OD1-NE 3.25Å; D366-R583 IonicContact OD1-NH2 2.66Å; D366-R583 PolarHBondContact OD1-NH2 3.39Å; D366-R583 IonicContact OD2-CZ 2.76Å; D366-R583 IonicContact OD2-NE 3.26Å; D366-R583 IonicContact OD2-NH2 3.93Å; D366-R583 PolarHBondContact OD2-NH2 3.3Å; D366-H674 HydrophobicContact CB-CB 4.06Å; D366-H674 PolarHBondContact O-N 2.83Å; D366-H674 IonicContact OD2-CD2 2.97Å; D366-D675 VanDerWaalsContact CB-OD2 3.31Å; D366-D675 WeakPolarHBondContact CB-OD2 3.29Å |
| 367 | L | 89.6 | Confident | 79.4 | Confident | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 133 | -170.1 | -59 | 178.6 | 0 | 0 | 0 | 111.1 | I369 V580 V581 Y582 R583 I671 | L367-I369 HydrophobicContact CB-CD1 4.42Å; L367-V580 HydrophobicContact CD1-CG1 3.76Å; L367-V580 HydrophobicContact CG-CG1 4.22Å; L367-V581 WeakPolarHBondContact CB-O 3.43Å; L367-V581 PolarHBondContact N-O 3.5Å; L367-Y582 HydrophobicContact CD1-CD1 4.39Å; L367-Y582 HydrophobicContact CD1-CE1 4.29Å; L367-Y582 CarbonylContact O-C 3.58Å; L367-Y582 WeakPolarHBondContact O-CA 3.4Å; L367-R583 PolarHBondContact O-N 3.37Å; L367-I671 HydrophobicContact CB-CG2 4.4Å; L367-I671 HydrophobicContact CD2-CG2 4.19Å |
| 368 | I | 90.3 | Very high | 81.2 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 121.5 | 171.3 | -56.5 | 150.1 | 0 | 0 | 0 | 107.1 | W370 I585 Y595 L642 I671 S672 H674 | I368-W370 HydrophobicContact CG2-CD2 4.16Å; I368-W370 HydrophobicContact CG2-CG 4.49Å; I368-W370 HydrophobicContact CG2-CZ2 3.94Å; I368-I585 HydrophobicContact CG2-CD1 3.66Å; I368-I585 HydrophobicContact CG2-CG1 4.21Å; I368-Y595 HydrophobicContact CD1-CE1 4.16Å; I368-Y595 HydrophobicContact CD1-CE2 4.49Å; I368-Y595 WeakPolarHBondContact CD1-OH 3.26Å; I368-L642 HydrophobicContact CD1-CD1 4.1Å; I368-I671 WeakPolarHBondContact O-CA 3.36Å; I368-S672 WeakPolarHBondContact CB-O 3.46Å; I368-S672 PolarHBondContact N-O 3.02Å; I368-S672 PolarHBondContact O-N 2.88Å; I368-S672 VanDerWaalsContact O-N 3.11Å; I368-H674 HydrophobicContact CD1-CB 4.04Å; I368-H674 HydrophobicContact CG1-CB 4.11Å |
| 369 | I | 91.4 | Very high | 83 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 114.6 | 175.8 | -50.9 | -56 | 0 | 0 | 0 | 108.2 | L367 I371 F464 Y582 R583 L584 I585 L663 I668 I671 | L367-I369 HydrophobicContact CB-CD1 4.42Å; I369-I371 HydrophobicContact CG2-CD1 4.41Å; I369-I371 HydrophobicContact CG2-CG1 3.96Å; I369-F464 HydrophobicContact CB-CE1 4.37Å; I369-F464 HydrophobicContact CB-CZ 4.34Å; I369-F464 HydrophobicContact CD1-CZ 4.45Å; I369-F464 HydrophobicContact CG1-CE1 4.18Å; I369-F464 HydrophobicContact CG1-CZ 4.04Å; I369-F464 HydrophobicContact CG2-CD1 4.41Å; I369-F464 HydrophobicContact CG2-CD2 4.46Å; I369-F464 HydrophobicContact CG2-CE1 3.85Å; I369-F464 HydrophobicContact CG2-CE2 3.91Å; I369-F464 HydrophobicContact CG2-CZ 3.58Å; I369-Y582 HydrophobicContact CD1-CD1 4.4Å; I369-Y582 HydrophobicContact CG1-CD1 4.47Å; I369-R583 PolarHBondContact N-O 3.43Å; I369-L584 HydrophobicContact CB-CD2 4.08Å; I369-L584 HydrophobicContact CG1-CD2 4.21Å; I369-I585 PolarHBondContact O-N 3.46Å; I369-L663 HydrophobicContact CD1-CD1 3.97Å; I369-I668 HydrophobicContact CG2-CB 4.37Å; I369-I668 HydrophobicContact CG2-CD1 4.34Å; I369-I668 HydrophobicContact CG2-CG2 3.79Å; I369-I671 HydrophobicContact CD1-CD1 4.32Å; I369-I671 HydrophobicContact CD1-CG1 3.99Å; I369-I671 HydrophobicContact CD1-CG2 4.32Å |
| 370 | W | 90.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 111.9 | 178.9 | -63.7 | 101.1 | 0 | 0 | 0 | 109.6 | I368 I585 E592 Y595 S636 T638 Q639 L642 A669 G670 S672 | I368-W370 HydrophobicContact CG2-CD2 4.16Å; I368-W370 HydrophobicContact CG2-CG 4.49Å; I368-W370 HydrophobicContact CG2-CZ2 3.94Å; W370-I585 HydrophobicContact CE3-CB 4.31Å; W370-I585 HydrophobicContact CE3-CG2 4.16Å; W370-I585 HydrophobicContact CZ3-CB 4.35Å; W370-I585 HydrophobicContact CZ3-CG2 3.81Å; W370-E592 HydrophobicContact CH2-CG 4.13Å; W370-E592 HydrophobicContact CZ3-CB 4.19Å; W370-E592 HydrophobicContact CZ3-CG 3.79Å; W370-Y595 HydrophobicContact CH2-CD1 4.29Å; W370-S636 WeakPolarHBondContact CZ3-OG 3.36Å; W370-T638 HydrophobicContact CH2-CG2 3.91Å; W370-T638 HydrophobicContact CZ2-CG2 4.12Å; W370-Q639 HydrophobicContact CD2-CB 3.99Å; W370-Q639 HydrophobicContact CG-CB 4.04Å; W370-Q639 HydrophobicContact CG-CG 4.06Å; W370-Q639 HydrophobicContact CZ2-CB 4.35Å; W370-L642 HydrophobicContact CZ2-CD1 4.21Å; W370-A669 HydrophobicContact CB-CB 4Å; W370-A669 PolarHBondContact O-N 2.73Å; W370-G670 PolarHBondContact N-O 2.95Å; W370-G670 VanDerWaalsContact N-O 3.07Å; W370-S672 PolarHBondContact NE1-OG 3.41Å |
| 371 | I | 91.1 | Very high | 85.6 | Confident | 6 Ų | 6 | 28.3 Ų | 28.3 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.4 | -173.5 | -63.2 | -174.7 | 0 | 0 | 0 | 109.8 | I369 K461 F464 L584 I585 T586 C587 | I369-I371 HydrophobicContact CG2-CD1 4.41Å; I369-I371 HydrophobicContact CG2-CG1 3.96Å; I371-K461 HydrophobicContact CD1-CG 4.31Å; I371-F464 HydrophobicContact CD1-CB 3.99Å; I371-F464 HydrophobicContact CD1-CD1 3.9Å; I371-F464 HydrophobicContact CD1-CG 4.01Å; I371-L584 HydrophobicContact CD1-CB 3.99Å; I371-L584 HydrophobicContact CD1-CD1 4.23Å; I371-L584 HydrophobicContact CD1-CD2 4.19Å; I371-L584 HydrophobicContact CD1-CG 4.35Å; I371-I585 PolarHBondContact N-O 3.02Å; I371-T586 HydrophobicContact CG2-CG2 4.48Å; I371-T586 CarbonylContact O-C 3.57Å; I371-T586 VanDerWaalsContact O-CA 3.27Å; I371-T586 WeakPolarHBondContact O-CA 3.43Å; I371-C587 PolarHBondContact O-N 2.88Å; I371-C587 PolarHBondContact O-SG 3.37Å |
| 372 | R | 90.1 | Very high | 86.7 | Confident | 108 Ų | 108 | 32.4 Ų | 32.4 | 41% | 0.408 | 15% | 0.154 | S | C | . | . | P | Polyproline II helix | trans | -84 | 144 | 174.8 | -62.6 | -176.8 | -75.1 | 161 | -6.8 | 110 | G667 A669 | R372-G667 PolarHBondContact NE-O 3.48Å; R372-G667 PolarHBondContact NH2-O 3.47Å; R372-A669 HydrophobicContact CG-CB 3.95Å |
| 373 | L | 87.6 | Confident | 87.4 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | P | Polyproline II helix | trans | -68.3 | 144.1 | 173.9 | -70 | -177.1 | 0 | 0 | 0 | 110.5 | Q377 E378 Y381 T586 T589 L633 | L373-Q377 HydrophobicContact CB-CB 4.15Å; L373-Q377 HydrophobicContact CD2-CB 4.06Å; L373-Q377 HydrophobicContact CG-CB 4.48Å; L373-E378 HydrophobicContact CB-CB 4.28Å; L373-Y381 HydrophobicContact CD1-CD2 4.39Å; L373-Y381 HydrophobicContact CD1-CG 4.42Å; L373-T586 HydrophobicContact CD2-CG2 3.75Å; L373-T589 HydrophobicContact CD1-CG2 3.8Å; L373-T589 HydrophobicContact CD2-CG2 4.26Å; L373-T589 HydrophobicContact CG-CG2 4.08Å; L373-L633 HydrophobicContact CD1-CD1 4.41Å; L373-L633 HydrophobicContact CD1-CD2 4.33Å |
| 374 | V | 89.2 | Confident | 87.6 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 16% | 0.164 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -66.7 | 145.9 | 166.4 | 168 | 0 | 0 | 0 | 0 | 108.7 | L376 Q377 E378 E457 G460 I463 | V374-L376 HydrophobicContact CG1-CB 4.32Å; V374-L376 PolarHBondContact O-N 2.93Å; V374-Q377 HydrophobicContact CB-CG 4.3Å; V374-Q377 WeakPolarHBondContact O-CA 3.41Å; V374-Q377 WeakPolarHBondContact O-CB 3.33Å; V374-Q377 PolarHBondContact O-N 2.86Å; V374-E378 PolarHBondContact O-N 3.33Å; V374-E457 WeakPolarHBondContact CG1-O 3.38Å; V374-G460 VanDerWaalsContact CG2-N 3.34Å; V374-I463 HydrophobicContact CG2-CD1 4.3Å |
| 375 | P | 87.9 | Confident | 87.3 | Confident | 104 Ų | 104 | 31.5 Ų | 31.5 | 68% | 0.675 | 15% | 0.151 | S | C | * | . | H | α-helix | trans | -50.4 | -36.1 | -178.6 | -32.1 | 37.3 | 0 | 0 | 0 | 115.1 | E378 E379 | P375-E378 PolarHBondContact O-N 3.32Å; P375-E379 WeakPolarHBondContact O-CB 3.46Å; P375-E379 PolarHBondContact O-N 2.99Å |
| 376 | L | 85.4 | Confident | 87.1 | Confident | 55 Ų | 55 | 34 Ų | 34 | 29% | 0.288 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64 | -44 | 173 | -179.1 | 65.7 | 0 | 0 | 0 | 112.6 | V374 E378 I380 E458 | V374-L376 HydrophobicContact CG1-CB 4.32Å; V374-L376 PolarHBondContact O-N 2.93Å; L376-E378 VanDerWaalsContact C-N 3.35Å; L376-I380 HydrophobicContact CD1-CD1 3.97Å; L376-I380 HydrophobicContact CD1-CG1 4.45Å; L376-I380 HydrophobicContact CG-CD1 3.97Å; L376-I380 WeakPolarHBondContact O-CB 2.96Å; L376-I380 WeakPolarHBondContact O-CD1 3.32Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; L376-I380 PolarHBondContact O-N 2.87Å; L376-I380 VanDerWaalsContact O-N 3.09Å; L376-E458 HydrophobicContact CD2-CG 3.98Å |
| 377 | Q | 88.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.4 | -41.4 | 175 | -63.6 | -179.8 | -78.9 | 0 | 0 | 110.8 | L373 V374 I380 Y381 L410 C411 E458 | L373-Q377 HydrophobicContact CB-CB 4.15Å; L373-Q377 HydrophobicContact CD2-CB 4.06Å; L373-Q377 HydrophobicContact CG-CB 4.48Å; V374-Q377 HydrophobicContact CB-CG 4.3Å; V374-Q377 WeakPolarHBondContact O-CA 3.41Å; V374-Q377 WeakPolarHBondContact O-CB 3.33Å; V374-Q377 PolarHBondContact O-N 2.86Å; Q377-I380 PolarHBondContact O-N 3.37Å; Q377-Y381 WeakPolarHBondContact O-CB 3.5Å; Q377-Y381 PolarHBondContact O-N 3.4Å; Q377-L410 PolarHBondContact NE2-O 2.95Å; Q377-C411 PolarHBondContact NE2-O 2.9Å; Q377-E458 WeakPolarHBondContact CG-O 3.37Å |
| 378 | E | 87.4 | Confident | 85.8 | Confident | 33 Ų | 33 | 40.9 Ų | 40.9 | 15% | 0.154 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.9 | 168.4 | 159.8 | -170.7 | 0 | 0 | 112.1 | L373 V374 P375 L376 I380 Y381 R382 L633 Q634 | L373-E378 HydrophobicContact CB-CB 4.28Å; V374-E378 PolarHBondContact O-N 3.33Å; P375-E378 PolarHBondContact O-N 3.32Å; L376-E378 VanDerWaalsContact C-N 3.35Å; E378-I380 PolarHBondContact O-N 3.4Å; E378-Y381 PolarHBondContact O-N 3Å; E378-R382 HydrophobicContact CG-CG 4.46Å; E378-R382 WeakPolarHBondContact O-CB 3.41Å; E378-R382 WeakPolarHBondContact O-CG 3.42Å; E378-R382 PolarHBondContact O-N 2.98Å; E378-R382 IonicContact OE1-CZ 3.53Å; E378-R382 IonicContact OE1-NE 3.82Å; E378-R382 PolarHBondContact OE1-NE 3.49Å; E378-R382 IonicContact OE1-NH2 2.68Å; E378-R382 PolarHBondContact OE1-NH2 3.14Å; E378-L633 HydrophobicContact CB-CD1 4.34Å; E378-L633 HydrophobicContact CG-CD1 3.72Å; E378-Q634 PolarHBondContact OE2-NE2 2.97Å |
| 379 | E | 86.1 | Confident | 84.8 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 45% | 0.449 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.3 | -47.2 | 176.9 | -171.4 | -171.2 | 179.2 | 0 | 0 | 111.2 | P375 Y381 R382 K383 | P375-E379 WeakPolarHBondContact O-CB 3.46Å; P375-E379 PolarHBondContact O-N 2.99Å; E379-Y381 VanDerWaalsContact C-N 3.34Å; E379-Y381 PolarHBondContact O-N 3.39Å; E379-R382 PolarHBondContact O-N 2.91Å; E379-K383 HydrophobicContact CG-CD 4.3Å; E379-K383 WeakPolarHBondContact O-CB 3.28Å; E379-K383 WeakPolarHBondContact O-CG 3.47Å; E379-K383 PolarHBondContact O-N 2.88Å; E379-K383 WeakPolarHBondContact OE1-CE 3.4Å; E379-K383 IonicContact OE1-NZ 3.77Å; E379-K383 PolarHBondContact OE1-NZ 2.84Å |
| 380 | I | 85.4 | Confident | 83.8 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.1 | -39.7 | 178.4 | -64.2 | 169.3 | 0 | 0 | 0 | 110.9 | L376 Q377 E378 K383 F384 L410 P414 L417 L425 L427 F430 | L376-I380 HydrophobicContact CD1-CD1 3.97Å; L376-I380 HydrophobicContact CD1-CG1 4.45Å; L376-I380 HydrophobicContact CG-CD1 3.97Å; L376-I380 WeakPolarHBondContact O-CB 2.96Å; L376-I380 WeakPolarHBondContact O-CD1 3.32Å; L376-I380 WeakPolarHBondContact O-CG1 3.5Å; L376-I380 PolarHBondContact O-N 2.87Å; L376-I380 VanDerWaalsContact O-N 3.09Å; Q377-I380 PolarHBondContact O-N 3.37Å; E378-I380 PolarHBondContact O-N 3.4Å; I380-K383 PolarHBondContact O-N 3.05Å; I380-F384 WeakPolarHBondContact O-CB 3.38Å; I380-F384 PolarHBondContact O-N 2.98Å; I380-L410 HydrophobicContact CB-CD1 4.04Å; I380-L410 HydrophobicContact CB-CD2 4.17Å; I380-L410 HydrophobicContact CG2-CD1 3.72Å; I380-L410 HydrophobicContact CG2-CD2 3.7Å; I380-L410 HydrophobicContact CG2-CG 4.38Å; I380-P414 HydrophobicContact CD1-CB 4.09Å; I380-L417 HydrophobicContact CG2-CD1 4Å; I380-L425 HydrophobicContact CG2-CD1 3.86Å; I380-L427 HydrophobicContact CD1-CD1 4.18Å; I380-L427 HydrophobicContact CD1-CD2 4.35Å; I380-L427 HydrophobicContact CG1-CD1 4.18Å; I380-L427 HydrophobicContact CG1-CD2 4.13Å; I380-L427 HydrophobicContact CG2-CD1 4.22Å; I380-F430 HydrophobicContact CD1-CE2 4.43Å |
| 381 | Y | 85.9 | Confident | 82.7 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.9 | -46.5 | 179.6 | -171.5 | -77.5 | 0 | 0 | 0 | 111.1 | L373 Q377 E378 E379 F384 V385 L407 L410 T589 V590 L633 | L373-Y381 HydrophobicContact CD1-CD2 4.39Å; L373-Y381 HydrophobicContact CD1-CG 4.42Å; Q377-Y381 WeakPolarHBondContact O-CB 3.5Å; Q377-Y381 PolarHBondContact O-N 3.4Å; E378-Y381 PolarHBondContact O-N 3Å; E379-Y381 VanDerWaalsContact C-N 3.34Å; E379-Y381 PolarHBondContact O-N 3.39Å; Y381-F384 PolarHBondContact O-N 3.07Å; Y381-V385 HydrophobicContact CD1-CG2 4.22Å; Y381-V385 HydrophobicContact CE1-CG2 3.97Å; Y381-V385 WeakPolarHBondContact O-CG2 3.27Å; Y381-V385 PolarHBondContact O-N 3.3Å; Y381-L407 HydrophobicContact CD2-CD2 3.75Å; Y381-L407 HydrophobicContact CE2-CD2 3.72Å; Y381-L407 HydrophobicContact CG-CD2 4.31Å; Y381-L410 HydrophobicContact CD2-CD2 4.14Å; Y381-L410 HydrophobicContact CG-CD2 4.42Å; Y381-T589 HydrophobicContact CE2-CG2 4.06Å; Y381-T589 WeakPolarHBondContact OH-CA 3.43Å; Y381-V590 PolarHBondContact OH-N 3.46Å; Y381-V590 VanDerWaalsContact OH-N 3.11Å; Y381-L633 HydrophobicContact CD1-CD1 4.44Å; Y381-L633 HydrophobicContact CD1-CD2 4.49Å; Y381-L633 HydrophobicContact CE1-CD2 4.34Å |
| 382 | R | 85.3 | Confident | 81.5 | Confident | 102 Ų | 102 | 54.7 Ų | 54.7 | 39% | 0.385 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 175.7 | -70.6 | -179.6 | -176.4 | -75.7 | 1 | 111.2 | E378 E379 S386 I630 L633 | E378-R382 HydrophobicContact CG-CG 4.46Å; E378-R382 WeakPolarHBondContact O-CB 3.41Å; E378-R382 WeakPolarHBondContact O-CG 3.42Å; E378-R382 PolarHBondContact O-N 2.98Å; E378-R382 IonicContact OE1-CZ 3.53Å; E378-R382 IonicContact OE1-NE 3.82Å; E378-R382 PolarHBondContact OE1-NE 3.49Å; E378-R382 IonicContact OE1-NH2 2.68Å; E378-R382 PolarHBondContact OE1-NH2 3.14Å; E379-R382 PolarHBondContact O-N 2.91Å; R382-S386 VanDerWaalsContact O-CB 3.29Å; R382-S386 WeakPolarHBondContact O-CB 3.5Å; R382-S386 PolarHBondContact O-N 3.43Å; R382-S386 PolarHBondContact O-OG 3.26Å; R382-I630 HydrophobicContact CG-CD1 4.49Å; R382-L633 HydrophobicContact CG-CD1 4.32Å |
| 383 | K | 84.3 | Confident | 80.4 | Confident | 77 Ų | 77 | 50.2 Ų | 50.2 | 34% | 0.335 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -57.9 | -49.3 | 173.4 | -76.6 | 176.2 | -175.6 | 171.5 | 0 | 111.6 | E379 I380 S386 L387 L425 | E379-K383 HydrophobicContact CG-CD 4.3Å; E379-K383 WeakPolarHBondContact O-CB 3.28Å; E379-K383 WeakPolarHBondContact O-CG 3.47Å; E379-K383 PolarHBondContact O-N 2.88Å; E379-K383 WeakPolarHBondContact OE1-CE 3.4Å; E379-K383 IonicContact OE1-NZ 3.77Å; E379-K383 PolarHBondContact OE1-NZ 2.84Å; I380-K383 PolarHBondContact O-N 3.05Å; K383-S386 PolarHBondContact O-N 2.76Å; K383-S386 PolarHBondContact O-OG 2.67Å; K383-L387 PolarHBondContact O-N 2.59Å; K383-L425 HydrophobicContact CB-CD2 3.88Å |
| 384 | F | 83.3 | Confident | 79 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 4% | 0.044 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -58.3 | -53.8 | -178.7 | -168.4 | -99.3 | 0 | 0 | 0 | 112 | I380 Y381 S386 L387 I390 E403 V406 L407 L425 | I380-F384 WeakPolarHBondContact O-CB 3.38Å; I380-F384 PolarHBondContact O-N 2.98Å; Y381-F384 PolarHBondContact O-N 3.07Å; F384-S386 PolarHBondContact O-N 3.07Å; F384-L387 HydrophobicContact CD2-CD1 4.1Å; F384-L387 VanDerWaalsContact O-CB 3.3Å; F384-L387 WeakPolarHBondContact O-CB 3.48Å; F384-L387 VanDerWaalsContact O-CG 3.31Å; F384-L387 WeakPolarHBondContact O-CG 3.14Å; F384-L387 PolarHBondContact O-N 2.73Å; F384-L387 VanDerWaalsContact O-N 3.09Å; F384-I390 HydrophobicContact CD1-CD1 3.39Å; F384-I390 HydrophobicContact CD2-CD1 4.41Å; F384-I390 HydrophobicContact CE1-CD1 3.18Å; F384-I390 HydrophobicContact CE2-CD1 4.22Å; F384-I390 HydrophobicContact CG-CD1 4.05Å; F384-I390 HydrophobicContact CZ-CD1 3.63Å; F384-I390 VanDerWaalsContact O-CD1 3.28Å; F384-I390 WeakPolarHBondContact O-CD1 3.27Å; F384-E403 HydrophobicContact CE1-CB 4.26Å; F384-E403 HydrophobicContact CZ-CB 4.28Å; F384-V406 HydrophobicContact CD2-CG1 4.23Å; F384-V406 HydrophobicContact CE1-CB 4.43Å; F384-V406 HydrophobicContact CE1-CG1 4.34Å; F384-V406 HydrophobicContact CE2-CB 4.23Å; F384-V406 HydrophobicContact CE2-CG1 3.56Å; F384-V406 HydrophobicContact CZ-CB 3.79Å; F384-V406 HydrophobicContact CZ-CG1 3.61Å; F384-V406 HydrophobicContact CZ-CG2 4.48Å; F384-L407 HydrophobicContact CB-CD2 4.31Å; F384-L407 HydrophobicContact CD1-CD1 4.09Å; F384-L407 HydrophobicContact CD1-CD2 3.39Å; F384-L407 HydrophobicContact CD1-CG 3.6Å; F384-L407 HydrophobicContact CE1-CD1 4.15Å; F384-L407 HydrophobicContact CE1-CD2 3.99Å; F384-L407 HydrophobicContact CE1-CG 3.65Å; F384-L407 HydrophobicContact CG-CD2 4.13Å; F384-L425 HydrophobicContact CB-CD2 3.86Å; F384-L425 HydrophobicContact CD2-CD1 4.17Å; F384-L425 HydrophobicContact CD2-CD2 4.08Å; F384-L425 HydrophobicContact CD2-CG 4.28Å; F384-L425 HydrophobicContact CG-CD2 4.49Å |
| 385 | V | 80.4 | Confident | 77.5 | Confident | 19 Ų | 19 | 61.5 Ų | 61.5 | 12% | 0.115 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -24.5 | -179.8 | 178.9 | 0 | 0 | 0 | 0 | 112.2 | Y381 L387 L407 F628 I630 | Y381-V385 HydrophobicContact CD1-CG2 4.22Å; Y381-V385 HydrophobicContact CE1-CG2 3.97Å; Y381-V385 WeakPolarHBondContact O-CG2 3.27Å; Y381-V385 PolarHBondContact O-N 3.3Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 2.9Å; V385-L407 HydrophobicContact CG2-CD1 4.14Å; V385-L407 HydrophobicContact CG2-CD2 4.2Å; V385-F628 VanDerWaalsContact CG1-O 3.27Å; V385-F628 WeakPolarHBondContact CG1-O 3.16Å; V385-I630 HydrophobicContact CB-CD1 3.94Å; V385-I630 HydrophobicContact CB-CG1 4.09Å; V385-I630 HydrophobicContact CG1-CD1 3.85Å; V385-I630 HydrophobicContact CG1-CG1 3.64Å; V385-I630 HydrophobicContact CG2-CG1 4.48Å |
| 386 | S | 80.9 | Confident | 76.2 | Confident | 64 Ų | 64 | 60 Ų | 60 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -75.8 | -11 | 174.8 | 78.1 | 0 | 0 | 0 | 0 | 115 | R382 K383 F384 D388 K391 | R382-S386 VanDerWaalsContact O-CB 3.29Å; R382-S386 WeakPolarHBondContact O-CB 3.5Å; R382-S386 PolarHBondContact O-N 3.43Å; R382-S386 PolarHBondContact O-OG 3.26Å; K383-S386 PolarHBondContact O-N 2.76Å; K383-S386 PolarHBondContact O-OG 2.67Å; F384-S386 PolarHBondContact O-N 3.07Å; S386-D388 PolarHBondContact O-N 3.46Å; S386-K391 WeakPolarHBondContact O-CE 3.4Å; S386-K391 PolarHBondContact O-NZ 2.99Å |
| 387 | L | 80.3 | Confident | 74.6 | Confident | 45 Ų | 45 | 63.5 Ų | 63.5 | 24% | 0.236 | 32% | 0.316 | C | S | . | . | trans | -63.7 | 130 | 180 | -67 | 173.3 | 0 | 0 | 0 | 111.5 | K383 F384 V385 H389 I390 K391 L425 | K383-L387 PolarHBondContact O-N 2.59Å; F384-L387 HydrophobicContact CD2-CD1 4.1Å; F384-L387 VanDerWaalsContact O-CB 3.3Å; F384-L387 WeakPolarHBondContact O-CB 3.48Å; F384-L387 VanDerWaalsContact O-CG 3.31Å; F384-L387 WeakPolarHBondContact O-CG 3.14Å; F384-L387 PolarHBondContact O-N 2.73Å; F384-L387 VanDerWaalsContact O-N 3.09Å; V385-L387 VanDerWaalsContact C-N 3.31Å; V385-L387 PolarHBondContact O-N 2.9Å; L387-H389 VanDerWaalsContact C-N 3.27Å; L387-H389 PolarHBondContact O-N 3.32Å; L387-I390 HydrophobicContact CB-CG1 4.27Å; L387-I390 PolarHBondContact O-N 2.93Å; L387-K391 PolarHBondContact O-N 2.85Å; L387-L425 HydrophobicContact CD1-CD2 4.39Å | ||
| 388 | D | 69.8 | Low | 73.3 | Confident | 105 Ų | 105 | 70.3 Ų | 70.3 | 56% | 0.561 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.2 | -33.8 | -177.3 | -62.2 | -59 | 0 | 0 | 0 | 112.8 | S386 I390 K391 E392 | S386-D388 PolarHBondContact O-N 3.46Å; D388-I390 PolarHBondContact O-N 2.67Å; D388-I390 VanDerWaalsContact O-N 3.16Å; D388-K391 CarbonylContact O-C 3.49Å; D388-K391 WeakPolarHBondContact O-CA 3.49Å; D388-K391 WeakPolarHBondContact O-CB 3.21Å; D388-K391 PolarHBondContact O-N 3.5Å; D388-K391 IonicContact OD1-NZ 3.16Å; D388-K391 PolarHBondContact OD1-NZ 3.14Å; D388-E392 WeakPolarHBondContact O-CG 3.49Å; D388-E392 PolarHBondContact O-N 3.12Å |
| 389 | H | 70.5 | Confident | 72.1 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 35% | 0.347 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55.8 | -32 | 172.4 | -177.8 | 40.2 | 0 | 0 | 0 | 113.4 | L387 E392 L393 | L387-H389 VanDerWaalsContact C-N 3.27Å; L387-H389 PolarHBondContact O-N 3.32Å; H389-E392 IonicContact ND1-OE2 2.61Å; H389-L393 WeakPolarHBondContact O-CB 3.06Å; H389-L393 VanDerWaalsContact O-CG 3.26Å; H389-L393 WeakPolarHBondContact O-CG 3.23Å; H389-L393 PolarHBondContact O-N 3.1Å |
| 390 | I | 69.3 | Low | 71.3 | Confident | 5 Ų | 5 | 68.3 Ų | 68.3 | 3% | 0.026 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -77.7 | -33.4 | 176.9 | -57.1 | -168.4 | 0 | 0 | 0 | 110.9 | F384 L387 D388 E392 L393 L394 F628 | F384-I390 HydrophobicContact CD1-CD1 3.39Å; F384-I390 HydrophobicContact CD2-CD1 4.41Å; F384-I390 HydrophobicContact CE1-CD1 3.18Å; F384-I390 HydrophobicContact CE2-CD1 4.22Å; F384-I390 HydrophobicContact CG-CD1 4.05Å; F384-I390 HydrophobicContact CZ-CD1 3.63Å; F384-I390 VanDerWaalsContact O-CD1 3.28Å; F384-I390 WeakPolarHBondContact O-CD1 3.27Å; L387-I390 HydrophobicContact CB-CG1 4.27Å; L387-I390 PolarHBondContact O-N 2.93Å; D388-I390 PolarHBondContact O-N 2.67Å; D388-I390 VanDerWaalsContact O-N 3.16Å; I390-E392 VanDerWaalsContact C-N 3.33Å; I390-L393 PolarHBondContact O-N 3.43Å; I390-L394 VanDerWaalsContact O-CG 3.31Å; I390-L394 WeakPolarHBondContact O-CG 3.04Å; I390-L394 PolarHBondContact O-N 2.91Å; I390-F628 HydrophobicContact CG2-CD1 3.72Å; I390-F628 HydrophobicContact CG2-CE1 3.84Å; I390-F628 HydrophobicContact CG2-CG 4.41Å |
| 391 | K | 67.7 | Low | 70.7 | Confident | 97 Ų | 97 | 71 Ų | 71 | 42% | 0.422 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.4 | -37.5 | 172 | -54 | 170.6 | -158.1 | 154.7 | 0 | 110.8 | S386 L387 D388 L394 M395 | S386-K391 WeakPolarHBondContact O-CE 3.4Å; S386-K391 PolarHBondContact O-NZ 2.99Å; L387-K391 PolarHBondContact O-N 2.85Å; D388-K391 CarbonylContact O-C 3.49Å; D388-K391 WeakPolarHBondContact O-CA 3.49Å; D388-K391 WeakPolarHBondContact O-CB 3.21Å; D388-K391 PolarHBondContact O-N 3.5Å; D388-K391 IonicContact OD1-NZ 3.16Å; D388-K391 PolarHBondContact OD1-NZ 3.14Å; K391-L394 PolarHBondContact O-N 3.24Å; K391-M395 WeakPolarHBondContact O-CG 3.5Å |
| 392 | E | 66.6 | Low | 70.1 | Confident | 119 Ų | 119 | 74.1 Ų | 74.1 | 56% | 0.556 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.6 | -46.3 | 171.5 | -68.7 | 170.9 | 168.5 | 0 | 0 | 111.7 | D388 H389 I390 L394 M395 E396 | D388-E392 WeakPolarHBondContact O-CG 3.49Å; D388-E392 PolarHBondContact O-N 3.12Å; H389-E392 IonicContact ND1-OE2 2.61Å; I390-E392 VanDerWaalsContact C-N 3.33Å; E392-L394 PolarHBondContact O-N 3.31Å; E392-M395 CarbonylContact O-C 3.48Å; E392-M395 WeakPolarHBondContact O-CA 3.18Å; E392-M395 WeakPolarHBondContact O-CB 3.06Å; E392-M395 PolarHBondContact O-N 3.25Å; E392-E396 PolarHBondContact O-N 3Å |
| 393 | L | 65.5 | Low | 69.7 | Low | 14 Ų | 14 | 71 Ų | 71 | 7% | 0.073 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -63.7 | -22.5 | 175.7 | -76.2 | 172.2 | 0 | 0 | 0 | 113.9 | H389 I390 M395 R398 E403 | H389-L393 WeakPolarHBondContact O-CB 3.06Å; H389-L393 VanDerWaalsContact O-CG 3.26Å; H389-L393 WeakPolarHBondContact O-CG 3.23Å; H389-L393 PolarHBondContact O-N 3.1Å; I390-L393 PolarHBondContact O-N 3.43Å; L393-M395 VanDerWaalsContact C-N 3.3Å; L393-R398 HydrophobicContact CD2-CB 3.76Å; L393-R398 HydrophobicContact CD2-CG 4.38Å; L393-E403 HydrophobicContact CD1-CG 3.75Å |
| 394 | L | 59.1 | Low | 69.5 | Low | 99 Ų | 99 | 67.4 Ų | 67.4 | 52% | 0.518 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -17.4 | 170.4 | -75.1 | 167.9 | 0 | 0 | 0 | 113.3 | I390 K391 E392 F628 | I390-L394 VanDerWaalsContact O-CG 3.31Å; I390-L394 WeakPolarHBondContact O-CG 3.04Å; I390-L394 PolarHBondContact O-N 2.91Å; K391-L394 PolarHBondContact O-N 3.24Å; E392-L394 PolarHBondContact O-N 3.31Å; L394-F628 HydrophobicContact CD1-CB 4.04Å; L394-F628 HydrophobicContact CD2-CB 4.25Å; L394-F628 HydrophobicContact CD2-CD2 3.74Å; L394-F628 HydrophobicContact CD2-CE2 4.42Å; L394-F628 HydrophobicContact CD2-CG 4.24Å |
| 395 | M | 58.6 | Low | 69.3 | Low | 172 Ų | 172 | 68.5 Ų | 68.5 | 85% | 0.847 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | -27.1 | 178.1 | -61.5 | -68.7 | -172.6 | 0 | 0 | 112.7 | K391 E392 L393 | K391-M395 WeakPolarHBondContact O-CG 3.5Å; E392-M395 CarbonylContact O-C 3.48Å; E392-M395 WeakPolarHBondContact O-CA 3.18Å; E392-M395 WeakPolarHBondContact O-CB 3.06Å; E392-M395 PolarHBondContact O-N 3.25Å; L393-M395 VanDerWaalsContact C-N 3.3Å |
| 396 | E | 60.4 | Low | 69.5 | Low | 74 Ų | 74 | 69.1 Ų | 69.1 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -84 | 157.6 | 178.8 | -150.9 | -172.4 | 172 | 0 | 0 | 112 | E392 R398 | E392-E396 PolarHBondContact O-N 3Å; E396-R398 HydrophobicContact CG-CG 4.26Å; E396-R398 PolarHBondContact O-N 3.07Å; E396-R398 VanDerWaalsContact O-N 3.14Å; E396-R398 IonicContact OE1-CZ 3.02Å; E396-R398 IonicContact OE1-NE 2.72Å; E396-R398 PolarHBondContact OE1-NE 3.33Å; E396-R398 IonicContact OE1-NH2 3.01Å; E396-R398 PolarHBondContact OE1-NH2 3.42Å; E396-R398 VanDerWaalsContact OE2-CD 3.23Å; E396-R398 WeakPolarHBondContact OE2-CD 3.1Å; E396-R398 IonicContact OE2-CZ 2.67Å; E396-R398 VanDerWaalsContact OE2-CZ 3.26Å; E396-R398 IonicContact OE2-NE 3.31Å; E396-R398 PolarHBondContact OE2-NE 2.99Å; E396-R398 IonicContact OE2-NH2 3.18Å; E396-R398 PolarHBondContact OE2-NH2 3.23Å |
| 397 | T | 51.3 | Low | 69.7 | Low | 127 Ų | 127 | 66 Ų | 66 | 78% | 0.779 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -78.9 | 14.2 | 179.7 | 49.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 398 | R | 60.3 | Low | 70 | Confident | 144 Ų | 144 | 64.8 Ų | 64.8 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -76.7 | 157.2 | 179.1 | -63.3 | -170.5 | -167.5 | 176.7 | 22.3 | 111 | L393 E396 P400 | L393-R398 HydrophobicContact CD2-CB 3.76Å; L393-R398 HydrophobicContact CD2-CG 4.38Å; E396-R398 HydrophobicContact CG-CG 4.26Å; E396-R398 PolarHBondContact O-N 3.07Å; E396-R398 VanDerWaalsContact O-N 3.14Å; E396-R398 IonicContact OE1-CZ 3.02Å; E396-R398 IonicContact OE1-NE 2.72Å; E396-R398 PolarHBondContact OE1-NE 3.33Å; E396-R398 IonicContact OE1-NH2 3.01Å; E396-R398 PolarHBondContact OE1-NH2 3.42Å; E396-R398 VanDerWaalsContact OE2-CD 3.23Å; E396-R398 WeakPolarHBondContact OE2-CD 3.1Å; E396-R398 IonicContact OE2-CZ 2.67Å; E396-R398 VanDerWaalsContact OE2-CZ 3.26Å; E396-R398 IonicContact OE2-NE 3.31Å; E396-R398 PolarHBondContact OE2-NE 2.99Å; E396-R398 IonicContact OE2-NH2 3.18Å; E396-R398 PolarHBondContact OE2-NH2 3.23Å; R398-P400 WeakPolarHBondContact O-CD 3.3Å |
| 399 | S | 62.3 | Low | 70.9 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | trans | -85.4 | 113.2 | -178.7 | -173.5 | 0 | 0 | 0 | 0 | 110.8 | L401 | S399-L401 PolarHBondContact O-N 2.88Å; S399-L401 WeakPolarHBondContact OG-CD1 3.12Å; S399-L401 WeakPolarHBondContact OG-CG 3.23Å | ||
| 400 | P | 70.4 | Confident | 71.7 | Confident | 22 Ų | 22 | 60 Ų | 60 | 14% | 0.143 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 19.2 | -173.9 | 35.1 | -38.7 | 0 | 0 | 0 | 113.6 | R398 A402 E403 L404 F628 | R398-P400 WeakPolarHBondContact O-CD 3.3Å; P400-A402 VanDerWaalsContact C-N 3.32Å; P400-A402 PolarHBondContact O-N 3.36Å; P400-E403 VanDerWaalsContact C-OE2 3.28Å; P400-E403 VanDerWaalsContact CA-OE2 3.32Å; P400-E403 WeakPolarHBondContact CA-OE2 3.48Å; P400-E403 PolarHBondContact O-N 2.89Å; P400-L404 HydrophobicContact CG-CD1 4.45Å; P400-L404 WeakPolarHBondContact O-CD1 3.45Å; P400-L404 VanDerWaalsContact O-CG 3.24Å; P400-L404 WeakPolarHBondContact O-CG 3.22Å; P400-L404 PolarHBondContact O-N 3.41Å; P400-L404 VanDerWaalsContact O-N 3.09Å; P400-F628 HydrophobicContact CB-CE2 3.82Å; P400-F628 HydrophobicContact CB-CZ 3.95Å; P400-F628 HydrophobicContact CG-CE2 4.33Å |
| 401 | L | 71.9 | Confident | 72.6 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 30% | 0.298 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -70.5 | -27 | -173.6 | -67.9 | 174.8 | 0 | 0 | 0 | 112.7 | S399 L404 G405 L961 | S399-L401 PolarHBondContact O-N 2.88Å; S399-L401 WeakPolarHBondContact OG-CD1 3.12Å; S399-L401 WeakPolarHBondContact OG-CG 3.23Å; L401-L404 HydrophobicContact CD2-CD1 4.3Å; L401-G405 PolarHBondContact O-N 3.39Å; L401-L961 HydrophobicContact CD1-CD2 3.81Å; L401-L961 HydrophobicContact CD2-CD2 3.86Å |
| 402 | A | 74.5 | Confident | 73.6 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 53% | 0.529 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -69.4 | -44 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | P400 G405 V406 | P400-A402 VanDerWaalsContact C-N 3.32Å; P400-A402 PolarHBondContact O-N 3.36Å; A402-G405 CarbonylContact O-C 3.53Å; A402-G405 WeakPolarHBondContact O-CA 3.15Å; A402-G405 PolarHBondContact O-N 2.62Å; A402-G405 VanDerWaalsContact O-N 3.1Å; A402-V406 WeakPolarHBondContact O-CG2 3.32Å; A402-V406 PolarHBondContact O-N 3.45Å |
| 403 | E | 77.2 | Confident | 74.7 | Confident | 36 Ų | 36 | 49.7 Ų | 49.7 | 17% | 0.168 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | -178.4 | -63 | 62.9 | -135.2 | 0 | 0 | 110.7 | F384 L393 P400 G405 V406 L407 F628 | F384-E403 HydrophobicContact CE1-CB 4.26Å; F384-E403 HydrophobicContact CZ-CB 4.28Å; L393-E403 HydrophobicContact CD1-CG 3.75Å; P400-E403 VanDerWaalsContact C-OE2 3.28Å; P400-E403 VanDerWaalsContact CA-OE2 3.32Å; P400-E403 WeakPolarHBondContact CA-OE2 3.48Å; P400-E403 PolarHBondContact O-N 2.89Å; E403-G405 VanDerWaalsContact C-N 3.28Å; E403-G405 PolarHBondContact O-N 2.85Å; E403-V406 PolarHBondContact O-N 3.14Å; E403-L407 PolarHBondContact O-N 3.49Å; E403-F628 HydrophobicContact CB-CE1 4.09Å; E403-F628 HydrophobicContact CB-CZ 4.04Å |
| 404 | L | 78.9 | Confident | 75.6 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.016 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.9 | -36 | 169.1 | -68.5 | 165.2 | 0 | 0 | 0 | 111.9 | P400 L401 L407 K408 W558 V590 L627 F628 | P400-L404 HydrophobicContact CG-CD1 4.45Å; P400-L404 WeakPolarHBondContact O-CD1 3.45Å; P400-L404 VanDerWaalsContact O-CG 3.24Å; P400-L404 WeakPolarHBondContact O-CG 3.22Å; P400-L404 PolarHBondContact O-N 3.41Å; P400-L404 VanDerWaalsContact O-N 3.09Å; L401-L404 HydrophobicContact CD2-CD1 4.3Å; L404-L407 PolarHBondContact O-N 2.67Å; L404-K408 WeakPolarHBondContact O-CB 3.35Å; L404-K408 PolarHBondContact O-N 3.18Å; L404-W558 HydrophobicContact CB-CZ2 4.28Å; L404-W558 HydrophobicContact CD1-CH2 4.14Å; L404-W558 HydrophobicContact CD1-CZ2 4.31Å; L404-V590 HydrophobicContact CD2-CG1 3.74Å; L404-V590 HydrophobicContact CD2-CG2 4.16Å; L404-L627 HydrophobicContact CD1-CD1 3.7Å; L404-L627 HydrophobicContact CD2-CB 4.08Å; L404-L627 HydrophobicContact CD2-CD1 4.09Å; L404-F628 HydrophobicContact CD1-CE2 4.32Å; L404-F628 HydrophobicContact CD1-CZ 4.48Å; L404-F628 HydrophobicContact CD2-CD2 4.38Å; L404-F628 HydrophobicContact CD2-CE1 4.26Å; L404-F628 HydrophobicContact CD2-CE2 3.73Å; L404-F628 HydrophobicContact CD2-CZ 3.67Å; L404-F628 HydrophobicContact CG-CE2 3.88Å; L404-F628 HydrophobicContact CG-CZ 3.64Å |
| 405 | G | 79.4 | Confident | 76.6 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 33% | 0.33 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L401 A402 E403 K409 | L401-G405 PolarHBondContact O-N 3.39Å; A402-G405 CarbonylContact O-C 3.53Å; A402-G405 WeakPolarHBondContact O-CA 3.15Å; A402-G405 PolarHBondContact O-N 2.62Å; A402-G405 VanDerWaalsContact O-N 3.1Å; E403-G405 VanDerWaalsContact C-N 3.28Å; E403-G405 PolarHBondContact O-N 2.85Å; G405-K409 WeakPolarHBondContact O-CB 3.31Å; G405-K409 VanDerWaalsContact O-CG 3.31Å; G405-K409 WeakPolarHBondContact O-CG 3.48Å; G405-K409 PolarHBondContact O-N 3.41Å; G405-K409 VanDerWaalsContact O-N 3.12Å |
| 406 | V | 83.9 | Confident | 77.6 | Confident | 32 Ų | 32 | 39.8 Ų | 39.8 | 19% | 0.194 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68 | -46 | 173.5 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | F384 A402 E403 K408 K409 L410 L417 A421 | F384-V406 HydrophobicContact CD2-CG1 4.23Å; F384-V406 HydrophobicContact CE1-CB 4.43Å; F384-V406 HydrophobicContact CE1-CG1 4.34Å; F384-V406 HydrophobicContact CE2-CB 4.23Å; F384-V406 HydrophobicContact CE2-CG1 3.56Å; F384-V406 HydrophobicContact CZ-CB 3.79Å; F384-V406 HydrophobicContact CZ-CG1 3.61Å; F384-V406 HydrophobicContact CZ-CG2 4.48Å; A402-V406 WeakPolarHBondContact O-CG2 3.32Å; A402-V406 PolarHBondContact O-N 3.45Å; E403-V406 PolarHBondContact O-N 3.14Å; V406-K408 PolarHBondContact O-N 3.06Å; V406-K409 WeakPolarHBondContact O-CB 3.46Å; V406-K409 PolarHBondContact O-N 2.97Å; V406-L410 PolarHBondContact O-N 3.33Å; V406-L417 HydrophobicContact CG1-CD2 3.46Å; V406-L417 VanDerWaalsContact CG1-CD2 3.46Å; V406-A421 HydrophobicContact CG1-CB 4.31Å |
| 407 | L | 85.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.1 | -41.9 | 177.2 | -76.7 | 175.1 | 0 | 0 | 0 | 112.6 | Y381 F384 V385 E403 L404 L410 C411 V590 F628 | Y381-L407 HydrophobicContact CD2-CD2 3.75Å; Y381-L407 HydrophobicContact CE2-CD2 3.72Å; Y381-L407 HydrophobicContact CG-CD2 4.31Å; F384-L407 HydrophobicContact CB-CD2 4.31Å; F384-L407 HydrophobicContact CD1-CD1 4.09Å; F384-L407 HydrophobicContact CD1-CD2 3.39Å; F384-L407 HydrophobicContact CD1-CG 3.6Å; F384-L407 HydrophobicContact CE1-CD1 4.15Å; F384-L407 HydrophobicContact CE1-CD2 3.99Å; F384-L407 HydrophobicContact CE1-CG 3.65Å; F384-L407 HydrophobicContact CG-CD2 4.13Å; V385-L407 HydrophobicContact CG2-CD1 4.14Å; V385-L407 HydrophobicContact CG2-CD2 4.2Å; E403-L407 PolarHBondContact O-N 3.49Å; L404-L407 PolarHBondContact O-N 2.67Å; L407-L410 WeakPolarHBondContact O-CB 3.31Å; L407-L410 PolarHBondContact O-N 2.99Å; L407-C411 PolarHBondContact O-N 2.96Å; L407-C411 VanDerWaalsContact O-N 3.16Å; L407-C411 PolarHBondContact O-SG 3.16Å; L407-V590 HydrophobicContact CB-CB 4.45Å; L407-V590 HydrophobicContact CB-CG2 3.81Å; L407-V590 HydrophobicContact CD1-CG2 3.62Å; L407-V590 HydrophobicContact CG-CG2 4.32Å; L407-F628 HydrophobicContact CD1-CD1 3.86Å; L407-F628 HydrophobicContact CD1-CE1 3.76Å |
| 408 | K | 87.5 | Confident | 79.3 | Confident | 18 Ų | 18 | 34.2 Ų | 34.2 | 8% | 0.078 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.3 | -46.9 | 173.9 | -179.7 | 175.7 | 171.8 | 177.9 | 0 | 111.8 | L404 V406 L410 C411 D412 D555 P556 | L404-K408 WeakPolarHBondContact O-CB 3.35Å; L404-K408 PolarHBondContact O-N 3.18Å; V406-K408 PolarHBondContact O-N 3.06Å; K408-L410 PolarHBondContact O-N 2.99Å; K408-C411 WeakPolarHBondContact O-CB 3.3Å; K408-C411 PolarHBondContact O-N 3.35Å; K408-C411 VanDerWaalsContact O-N 3.09Å; K408-D412 PolarHBondContact O-N 3.27Å; K408-D412 VanDerWaalsContact O-N 3.14Å; K408-D555 VanDerWaalsContact CE-OD2 3.27Å; K408-D555 WeakPolarHBondContact CE-OD2 3.4Å; K408-D555 IonicContact NZ-OD2 3.74Å; K408-D555 PolarHBondContact NZ-OD2 2.61Å; K408-P556 PolarHBondContact NZ-O 3.34Å |
| 409 | K | 88.2 | Confident | 79.3 | Confident | 78 Ų | 78 | 30.9 Ų | 30.9 | 34% | 0.339 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -56.9 | -37 | 176.6 | -81.1 | 172.4 | 158.7 | -147.3 | 0 | 112.6 | G405 V406 D412 H413 L416 | G405-K409 WeakPolarHBondContact O-CB 3.31Å; G405-K409 VanDerWaalsContact O-CG 3.31Å; G405-K409 WeakPolarHBondContact O-CG 3.48Å; G405-K409 PolarHBondContact O-N 3.41Å; G405-K409 VanDerWaalsContact O-N 3.12Å; V406-K409 WeakPolarHBondContact O-CB 3.46Å; V406-K409 PolarHBondContact O-N 2.97Å; K409-D412 WeakPolarHBondContact O-CB 3.4Å; K409-D412 PolarHBondContact O-N 3.49Å; K409-H413 CarbonylContact O-C 3.58Å; K409-H413 PolarHBondContact O-N 2.84Å; K409-L416 HydrophobicContact CB-CB 3.92Å; K409-L416 HydrophobicContact CG-CB 4.19Å; K409-L416 PolarHBondContact NZ-O 3.07Å |
| 410 | L | 88.3 | Confident | 79.1 | Confident | 3 Ų | 3 | 36.6 Ų | 36.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -66.9 | -38.5 | 176.1 | 176.9 | 59.9 | 0 | 0 | 0 | 112.8 | Q377 I380 Y381 V406 L407 K408 D412 P414 L417 | Q377-L410 PolarHBondContact NE2-O 2.95Å; I380-L410 HydrophobicContact CB-CD1 4.04Å; I380-L410 HydrophobicContact CB-CD2 4.17Å; I380-L410 HydrophobicContact CG2-CD1 3.72Å; I380-L410 HydrophobicContact CG2-CD2 3.7Å; I380-L410 HydrophobicContact CG2-CG 4.38Å; Y381-L410 HydrophobicContact CD2-CD2 4.14Å; Y381-L410 HydrophobicContact CG-CD2 4.42Å; V406-L410 PolarHBondContact O-N 3.33Å; L407-L410 WeakPolarHBondContact O-CB 3.31Å; L407-L410 PolarHBondContact O-N 2.99Å; K408-L410 PolarHBondContact O-N 2.99Å; L410-D412 VanDerWaalsContact C-N 3.26Å; L410-D412 PolarHBondContact O-N 3.17Å; L410-P414 HydrophobicContact CD1-CB 4.01Å; L410-L417 HydrophobicContact CB-CD2 4.43Å; L410-L417 HydrophobicContact CD1-CD1 4.39Å |
| 411 | C | 88.3 | Confident | 78.5 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -33.5 | 173.1 | -62 | 0 | 0 | 0 | 0 | 112.3 | Q377 L407 K408 K461 T586 E591 | Q377-C411 PolarHBondContact NE2-O 2.9Å; L407-C411 PolarHBondContact O-N 2.96Å; L407-C411 VanDerWaalsContact O-N 3.16Å; L407-C411 PolarHBondContact O-SG 3.16Å; K408-C411 WeakPolarHBondContact O-CB 3.3Å; K408-C411 PolarHBondContact O-N 3.35Å; K408-C411 VanDerWaalsContact O-N 3.09Å; C411-K461 WeakPolarHBondContact O-CE 3.47Å; C411-T586 HydrophobicContact CB-CG2 4.29Å; C411-T586 WeakPolarHBondContact CB-OG1 3.39Å; C411-T586 PolarHBondContact SG-OG1 3.1Å; C411-T586 VanDerWaalsContact SG-OG1 3.39Å; C411-E591 HydrophobicContact CB-CG 3.97Å |
| 412 | D | 88.8 | Confident | 78.1 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -72 | -59.5 | 174.1 | -72 | -27.1 | 0 | 0 | 0 | 112.3 | K408 K409 L410 L416 S459 K461 F554 D555 | K408-D412 PolarHBondContact O-N 3.27Å; K408-D412 VanDerWaalsContact O-N 3.14Å; K409-D412 WeakPolarHBondContact O-CB 3.4Å; K409-D412 PolarHBondContact O-N 3.49Å; L410-D412 VanDerWaalsContact C-N 3.26Å; L410-D412 PolarHBondContact O-N 3.17Å; D412-L416 HydrophobicContact CB-CD1 3.66Å; D412-S459 WeakPolarHBondContact O-CB 3.46Å; D412-S459 PolarHBondContact O-OG 3.48Å; D412-K461 IonicContact OD1-NZ 3.58Å; D412-K461 PolarHBondContact OD1-NZ 2.85Å; D412-F554 HydrophobicContact CB-CE1 3.95Å; D412-F554 WeakPolarHBondContact OD1-CE1 3.23Å; D412-D555 WeakPolarHBondContact OD1-CB 3.42Å |
| 413 | H | 88.6 | Confident | 77.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -165.8 | 134 | 176.8 | -163.7 | -85 | 0 | 0 | 0 | 111.3 | K409 R415 L416 L455 E458 S459 I488 | K409-H413 CarbonylContact O-C 3.58Å; K409-H413 PolarHBondContact O-N 2.84Å; H413-R415 WeakPolarHBondContact ND1-CB 3.31Å; H413-R415 PolarHBondContact ND1-N 2.83Å; H413-R415 PolarHBondContact O-N 2.68Å; H413-R415 VanDerWaalsContact O-N 3.15Å; H413-L416 HydrophobicContact CB-CD1 4.02Å; H413-L416 HydrophobicContact CB-CG 4.09Å; H413-L416 WeakPolarHBondContact O-CB 3.43Å; H413-L416 PolarHBondContact O-N 3.25Å; H413-L455 PolarHBondContact NE2-O 2.95Å; H413-E458 IonicContact CE1-OE2 2.7Å; H413-E458 PolarHBondContact CE1-OE2 3.15Å; H413-S459 VanDerWaalsContact CD2-CB 3.48Å; H413-S459 WeakPolarHBondContact CD2-CB 3.3Å; H413-I488 HydrophobicContact CB-CD1 3.85Å | ||
| 414 | P | 84.3 | Confident | 76.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -61 | -29.6 | -175.7 | 23.8 | -33.9 | 0 | 0 | 0 | 113.7 | I380 L410 L416 L417 E458 | I380-P414 HydrophobicContact CD1-CB 4.09Å; L410-P414 HydrophobicContact CD1-CB 4.01Å; P414-L416 PolarHBondContact O-N 3.43Å; P414-L416 VanDerWaalsContact O-N 3.14Å; P414-L417 WeakPolarHBondContact O-CB 3.28Å; P414-L417 WeakPolarHBondContact O-CD1 3.44Å; P414-L417 WeakPolarHBondContact O-CG 3.31Å; P414-L417 PolarHBondContact O-N 2.81Å; P414-E458 WeakPolarHBondContact CD-O 3.47Å; P414-E458 HydrophobicContact CG-CB 3.87Å; P414-E458 HydrophobicContact CG-CG 4.4Å; P414-E458 WeakPolarHBondContact CG-O 3.46Å |
| 415 | R | 79.8 | Confident | 75.6 | Confident | 71 Ų | 71 | 38 Ų | 38 | 27% | 0.268 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -70.3 | 1.9 | 173.9 | -51.3 | -61.9 | -178.3 | 145.3 | -177.2 | 115.7 | H413 F430 E458 | H413-R415 WeakPolarHBondContact ND1-CB 3.31Å; H413-R415 PolarHBondContact ND1-N 2.83Å; H413-R415 PolarHBondContact O-N 2.68Å; H413-R415 VanDerWaalsContact O-N 3.15Å; R415-F430 VanDerWaalsContact NH2-CD1 3.29Å; R415-E458 WeakPolarHBondContact CD-OE2 3.45Å; R415-E458 WeakPolarHBondContact CG-OE2 3.32Å; R415-E458 IonicContact CZ-OE1 3.16Å; R415-E458 IonicContact CZ-OE2 3.81Å; R415-E458 IonicContact NE-OE1 2.66Å; R415-E458 PolarHBondContact NE-OE1 2.95Å; R415-E458 VanDerWaalsContact NE-OE1 3.14Å; R415-E458 IonicContact NE-OE2 3.47Å; R415-E458 PolarHBondContact NE-OE2 2.96Å; R415-E458 IonicContact NH1-OE1 2.74Å; R415-E458 PolarHBondContact NH1-OE1 2.83Å; R415-E458 IonicContact NH1-OE2 3.8Å |
| 416 | L | 80.6 | Confident | 74.5 | Confident | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.026 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -87.9 | -6.5 | 170.5 | -62.3 | 173.1 | 0 | 0 | 0 | 113 | K409 D412 H413 P414 Q487 I488 | K409-L416 HydrophobicContact CB-CB 3.92Å; K409-L416 HydrophobicContact CG-CB 4.19Å; K409-L416 PolarHBondContact NZ-O 3.07Å; D412-L416 HydrophobicContact CB-CD1 3.66Å; H413-L416 HydrophobicContact CB-CD1 4.02Å; H413-L416 HydrophobicContact CB-CG 4.09Å; H413-L416 WeakPolarHBondContact O-CB 3.43Å; H413-L416 PolarHBondContact O-N 3.25Å; P414-L416 PolarHBondContact O-N 3.43Å; P414-L416 VanDerWaalsContact O-N 3.14Å; L416-Q487 HydrophobicContact CD2-CB 3.38Å; L416-Q487 HydrophobicContact CD2-CG 4.38Å; L416-I488 HydrophobicContact CD1-CB 4.31Å; L416-I488 HydrophobicContact CD1-CD1 4.39Å |
| 417 | L | 77.8 | Confident | 73.2 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -64.5 | 140.9 | 169.8 | -64.4 | 177.4 | 0 | 0 | 0 | 110.3 | I380 V406 L410 P414 A421 L425 L427 | I380-L417 HydrophobicContact CG2-CD1 4Å; V406-L417 HydrophobicContact CG1-CD2 3.46Å; V406-L417 VanDerWaalsContact CG1-CD2 3.46Å; L410-L417 HydrophobicContact CB-CD2 4.43Å; L410-L417 HydrophobicContact CD1-CD1 4.39Å; P414-L417 WeakPolarHBondContact O-CB 3.28Å; P414-L417 WeakPolarHBondContact O-CD1 3.44Å; P414-L417 WeakPolarHBondContact O-CG 3.31Å; P414-L417 PolarHBondContact O-N 2.81Å; L417-A421 HydrophobicContact CB-CB 4.19Å; L417-A421 HydrophobicContact CD2-CB 4.22Å; L417-L425 HydrophobicContact CD1-CD1 4.09Å; L417-L427 HydrophobicContact CD1-CD1 4.41Å |
| 418 | S | 69.1 | Low | 71.2 | Confident | 66 Ų | 66 | 46.4 Ų | 46.4 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | trans | -79.1 | 159.1 | 173.8 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | R420 A421 C422 | S418-R420 PolarHBondContact O-N 2.77Å; S418-R420 VanDerWaalsContact O-N 3.14Å; S418-A421 WeakPolarHBondContact O-CA 3.25Å; S418-A421 WeakPolarHBondContact O-CB 3.47Å; S418-A421 PolarHBondContact O-N 3.16Å; S418-A421 PolarHBondContact OG-N 2.79Å; S418-C422 PolarHBondContact O-N 2.67Å | ||
| 419 | A | 61 | Low | 69.2 | Low | 73 Ų | 73 | 50.9 Ų | 50.9 | 60% | 0.603 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -49.9 | -40.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.4 | A421 C422 C423 | A419-A421 VanDerWaalsContact C-N 3.35Å; A419-A421 PolarHBondContact O-N 3Å; A419-C422 PolarHBondContact O-N 3Å; A419-C423 PolarHBondContact O-N 3.27Å; A419-C423 PolarHBondContact O-SG 3.02Å |
| 420 | R | 56.6 | Low | 67 | Low | 186 Ų | 186 | 50 Ų | 50 | 70% | 0.702 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.7 | -41.2 | 173.6 | -179.4 | 175.8 | 172.4 | -169.5 | -5.5 | 112.9 | S418 L424 | S418-R420 PolarHBondContact O-N 2.77Å; S418-R420 VanDerWaalsContact O-N 3.14Å; R420-L424 HydrophobicContact CG-CD1 4.06Å; R420-L424 WeakPolarHBondContact O-CB 3.14Å; R420-L424 VanDerWaalsContact O-CG 3.25Å; R420-L424 WeakPolarHBondContact O-CG 3.37Å; R420-L424 PolarHBondContact O-N 3.28Å |
| 421 | A | 59.6 | Low | 64.8 | Low | 4 Ų | 4 | 54.8 Ų | 54.8 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.6 | -42 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V406 L417 S418 A419 C423 L424 L425 | V406-A421 HydrophobicContact CG1-CB 4.31Å; L417-A421 HydrophobicContact CB-CB 4.19Å; L417-A421 HydrophobicContact CD2-CB 4.22Å; S418-A421 WeakPolarHBondContact O-CA 3.25Å; S418-A421 WeakPolarHBondContact O-CB 3.47Å; S418-A421 PolarHBondContact O-N 3.16Å; S418-A421 PolarHBondContact OG-N 2.79Å; A419-A421 VanDerWaalsContact C-N 3.35Å; A419-A421 PolarHBondContact O-N 3Å; A421-C423 PolarHBondContact O-N 3.43Å; A421-L424 PolarHBondContact O-N 3.24Å; A421-L425 WeakPolarHBondContact O-CB 3.12Å; A421-L425 WeakPolarHBondContact O-CD1 3.28Å; A421-L425 VanDerWaalsContact O-CG 3.3Å; A421-L425 WeakPolarHBondContact O-CG 3.41Å; A421-L425 PolarHBondContact O-N 3.01Å |
| 422 | C | 63.4 | Low | 62.3 | Low | 17 Ų | 17 | 57.9 Ų | 57.9 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.9 | -43.7 | 175.1 | -61.2 | 0 | 0 | 0 | 0 | 112.2 | S418 A419 L425 N426 L427 | S418-C422 PolarHBondContact O-N 2.67Å; A419-C422 PolarHBondContact O-N 3Å; C422-L425 PolarHBondContact O-N 2.8Å; C422-N426 PolarHBondContact O-N 3.18Å; C422-L427 HydrophobicContact CB-CB 4.35Å; C422-L427 PolarHBondContact O-N 3.06Å |
| 423 | C | 57.3 | Low | 59.8 | Low | 91 Ų | 91 | 66.3 Ų | 66.3 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.4 | -45.4 | 174.4 | -65.3 | 0 | 0 | 0 | 0 | 112.5 | A419 A421 L425 N426 | A419-C423 PolarHBondContact O-N 3.27Å; A419-C423 PolarHBondContact O-SG 3.02Å; A421-C423 PolarHBondContact O-N 3.43Å; C423-L425 PolarHBondContact O-N 3.44Å; C423-N426 PolarHBondContact O-N 2.99Å; C423-N426 VanDerWaalsContact O-N 3.14Å |
| 424 | L | 59.4 | Low | 57 | Low | 88 Ų | 88 | 73.7 Ų | 73.7 | 46% | 0.461 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -26.2 | 176.8 | -76.2 | 168.9 | 0 | 0 | 0 | 113.2 | R420 A421 | R420-L424 HydrophobicContact CG-CD1 4.06Å; R420-L424 WeakPolarHBondContact O-CB 3.14Å; R420-L424 VanDerWaalsContact O-CG 3.25Å; R420-L424 WeakPolarHBondContact O-CG 3.37Å; R420-L424 PolarHBondContact O-N 3.28Å; A421-L424 PolarHBondContact O-N 3.24Å |
| 425 | L | 60.4 | Low | 54.7 | Low | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.058 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.3 | 179.6 | -74.6 | 163 | 0 | 0 | 0 | 113.9 | I380 K383 F384 L387 L417 A421 C422 C423 L427 | I380-L425 HydrophobicContact CG2-CD1 3.86Å; K383-L425 HydrophobicContact CB-CD2 3.88Å; F384-L425 HydrophobicContact CB-CD2 3.86Å; F384-L425 HydrophobicContact CD2-CD1 4.17Å; F384-L425 HydrophobicContact CD2-CD2 4.08Å; F384-L425 HydrophobicContact CD2-CG 4.28Å; F384-L425 HydrophobicContact CG-CD2 4.49Å; L387-L425 HydrophobicContact CD1-CD2 4.39Å; L417-L425 HydrophobicContact CD1-CD1 4.09Å; A421-L425 WeakPolarHBondContact O-CB 3.12Å; A421-L425 WeakPolarHBondContact O-CD1 3.28Å; A421-L425 VanDerWaalsContact O-CG 3.3Å; A421-L425 WeakPolarHBondContact O-CG 3.41Å; A421-L425 PolarHBondContact O-N 3.01Å; C422-L425 PolarHBondContact O-N 2.8Å; C423-L425 PolarHBondContact O-N 3.44Å; L425-L427 HydrophobicContact CB-CD1 3.72Å; L425-L427 HydrophobicContact CB-CG 3.79Å; L425-L427 HydrophobicContact CD1-CD1 3.82Å; L425-L427 HydrophobicContact CG-CD1 4.4Å; L425-L427 PolarHBondContact O-N 3.24Å |
| 426 | N | 55.6 | Low | 52.3 | Low | 156 Ų | 156 | 81.8 Ų | 81.8 | 83% | 0.834 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 35.1 | -169.6 | -101.4 | -9.1 | 0 | 0 | 0 | 112.9 | C422 C423 G428 | C422-N426 PolarHBondContact O-N 3.18Å; C423-N426 PolarHBondContact O-N 2.99Å; C423-N426 VanDerWaalsContact O-N 3.14Å; N426-G428 PolarHBondContact O-N 3.23Å |
| 427 | L | 57.3 | Low | 50.3 | Low | 27 Ų | 27 | 91.2 Ų | 91.2 | 14% | 0.141 | 54% | 0.536 | C | S | . | . | trans | -78.2 | 74.1 | 175.2 | -73.7 | 167 | 0 | 0 | 0 | 110.3 | I380 L417 C422 L425 F430 | I380-L427 HydrophobicContact CD1-CD1 4.18Å; I380-L427 HydrophobicContact CD1-CD2 4.35Å; I380-L427 HydrophobicContact CG1-CD1 4.18Å; I380-L427 HydrophobicContact CG1-CD2 4.13Å; I380-L427 HydrophobicContact CG2-CD1 4.22Å; L417-L427 HydrophobicContact CD1-CD1 4.41Å; C422-L427 HydrophobicContact CB-CB 4.35Å; C422-L427 PolarHBondContact O-N 3.06Å; L425-L427 HydrophobicContact CB-CD1 3.72Å; L425-L427 HydrophobicContact CB-CG 3.79Å; L425-L427 HydrophobicContact CD1-CD1 3.82Å; L425-L427 HydrophobicContact CG-CD1 4.4Å; L425-L427 PolarHBondContact O-N 3.24Å; L427-F430 HydrophobicContact CB-CD2 4.14Å; L427-F430 HydrophobicContact CB-CE2 4.43Å; L427-F430 HydrophobicContact CD1-CD2 4.29Å; L427-F430 HydrophobicContact CD1-CE2 4.02Å; L427-F430 HydrophobicContact CD2-CE2 4.29Å; L427-F430 HydrophobicContact CG-CE2 4.49Å | ||
| 428 | G | 43.7 | Very low | 47.9 | Very low | 57 Ų | 57 | 93.8 Ų | 93.8 | 59% | 0.588 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | 149.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | N426 F430 | N426-G428 PolarHBondContact O-N 3.23Å; G428-F430 PolarHBondContact O-N 3.13Å |
| 429 | T | 44.2 | Very low | 46.6 | Very low | 113 Ų | 113 | 99.8 Ų | 99.8 | 69% | 0.693 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 60.3 | 33.4 | 178.3 | 44.6 | 0 | 0 | 0 | 0 | 116.8 | ||
| 430 | F | 43.7 | Very low | 45.4 | Very low | 59 Ų | 59 | 104.3 Ų | 104.3 | 26% | 0.259 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -98.4 | -5.3 | 150.3 | -72.5 | -16.8 | 0 | 0 | 0 | 113.8 | I380 R415 L427 G428 | I380-F430 HydrophobicContact CD1-CE2 4.43Å; R415-F430 VanDerWaalsContact NH2-CD1 3.29Å; L427-F430 HydrophobicContact CB-CD2 4.14Å; L427-F430 HydrophobicContact CB-CE2 4.43Å; L427-F430 HydrophobicContact CD1-CD2 4.29Å; L427-F430 HydrophobicContact CD1-CE2 4.02Å; L427-F430 HydrophobicContact CD2-CE2 4.29Å; L427-F430 HydrophobicContact CG-CE2 4.49Å; G428-F430 PolarHBondContact O-N 3.13Å |
| 431 | S | 42.3 | Very low | 44.2 | Very low | 104 Ų | 104 | 100.5 Ų | 100.5 | 73% | 0.727 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -158.2 | 42.4 | -178.2 | 65.5 | 0 | 0 | 0 | 0 | 113.5 | ||
| 432 | A | 35.1 | Very low | 43.1 | Very low | 65 Ų | 65 | 105.3 Ų | 105.3 | 54% | 0.537 | 64% | 0.635 | S | S | . | * | trans | -148.5 | 73.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 433 | Q | 36.1 | Very low | 42.1 | Very low | 180 Ų | 180 | 112.2 Ų | 112.2 | 84% | 0.841 | 67% | 0.671 | S | S | * | * | S | Bend | trans | -174.9 | 123.4 | 153.9 | -104.6 | 167.6 | 19.6 | 0 | 0 | 105.9 | ||
| 434 | D | 30.6 | Very low | 41.5 | Very low | 155 Ų | 155 | 112.5 Ų | 112.5 | 83% | 0.829 | 67% | 0.669 | S | S | * | * | cis | -117.9 | 167 | -2 | -81.9 | -47.7 | 0 | 0 | 0 | 112.1 | N436 | D434-N436 PolarHBondContact O-N 3.2Š| ||
| 435 | G | 35.4 | Very low | 40.4 | Very low | 85 Ų | 85 | 113.4 Ų | 113.4 | 88% | 0.876 | 68% | 0.675 | S | S | * | * | trans | -77.4 | 112.3 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 436 | N | 28.5 | Very low | 39.9 | Very low | 158 Ų | 158 | 120.2 Ų | 120.2 | 85% | 0.845 | 71% | 0.706 | S | S | * | * | trans | -146.7 | 115.3 | 158.2 | -163.5 | 32.5 | 0 | 0 | 0 | 109 | D434 G438 | D434-N436 PolarHBondContact O-N 3.2Å; N436-G438 PolarHBondContact O-N 2.95Å | ||
| 437 | E | 39.2 | Very low | 39.9 | Very low | 202 Ų | 202 | 115.3 Ų | 115.3 | 94% | 0.944 | 68% | 0.679 | S | S | * | * | trans | -79.3 | 117.3 | -179.1 | -65.9 | -177.3 | 145.7 | 0 | 0 | 109.9 | ||||
| 438 | G | 27.6 | Very low | 39.6 | Very low | 73 Ų | 73 | 119.4 Ų | 119.4 | 75% | 0.753 | 70% | 0.701 | S | S | * | * | trans | -155.2 | 134.6 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | N436 | N436-G438 PolarHBondContact O-N 2.95Š| ||
| 439 | E | 40.9 | Very low | 40.1 | Very low | 191 Ų | 191 | 124.9 Ų | 124.9 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | trans | -78.7 | 158.5 | -171.9 | -62.6 | 174.4 | 121.2 | 0 | 0 | 113 | ||||
| 440 | D | 35.6 | Very low | 41.1 | Very low | 168 Ų | 168 | 121.3 Ų | 121.3 | 90% | 0.898 | 69% | 0.688 | S | S | * | * | trans | 54 | 86 | 166.8 | -70.3 | -18 | 0 | 0 | 0 | 119.2 | ||||
| 441 | S | 31.2 | Very low | 42.5 | Very low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | -141.9 | 148.8 | 148.5 | 67 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 442 | P | 38.4 | Very low | 44.1 | Very low | 106 Ų | 106 | 120 Ų | 120 | 69% | 0.688 | 68% | 0.679 | S | S | * | * | trans | -100.2 | 93.4 | -165 | 36.9 | -34 | 0 | 0 | 0 | 115.1 | V444 | P442-V444 WeakPolarHBondContact O-CG2 3.44Å; P442-V444 PolarHBondContact O-N 2.77Å | ||
| 443 | D | 41.5 | Very low | 46 | Very low | 162 Ų | 162 | 121.7 Ų | 121.7 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | S | Bend | trans | 49 | 15.5 | 137.5 | -135.4 | 22.3 | 0 | 0 | 0 | 120.2 | ||
| 444 | V | 44.4 | Very low | 48.1 | Very low | 96 Ų | 96 | 115.2 Ų | 115.2 | 58% | 0.582 | 65% | 0.652 | S | S | * | * | trans | -121.7 | -39.1 | -173.4 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | P442 H446 | P442-V444 WeakPolarHBondContact O-CG2 3.44Å; P442-V444 PolarHBondContact O-N 2.77Å; V444-H446 VanDerWaalsContact C-N 3.32Å; V444-H446 PolarHBondContact O-N 2.69Å | ||
| 445 | D | 37 | Very low | 50.5 | Low | 108 Ų | 108 | 108 Ų | 108 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -75.6 | -14.7 | -162.9 | -59.7 | -15.6 | 0 | 0 | 0 | 114.6 | I447 D448 | D445-I447 VanDerWaalsContact C-N 3.25Å; D445-I447 PolarHBondContact O-N 3.14Å; D445-D448 PolarHBondContact O-N 2.84Å |
| 446 | H | 49.9 | Very low | 52.7 | Low | 154 Ų | 154 | 104.9 Ų | 104.9 | 71% | 0.713 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -69.4 | -13.3 | -178.7 | -76.5 | -54.9 | 0 | 0 | 0 | 115.2 | V444 | V444-H446 VanDerWaalsContact C-N 3.32Å; V444-H446 PolarHBondContact O-N 2.69Å |
| 447 | I | 54.2 | Low | 55.3 | Low | 53 Ų | 53 | 103.2 Ų | 103.2 | 27% | 0.272 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | -82.4 | -28.2 | 174.8 | -61.6 | 178.4 | 0 | 0 | 0 | 111 | D445 Q449 I450 L455 R494 | D445-I447 VanDerWaalsContact C-N 3.25Å; D445-I447 PolarHBondContact O-N 3.14Å; I447-Q449 VanDerWaalsContact C-N 3.27Å; I447-Q449 PolarHBondContact O-N 3.37Å; I447-I450 PolarHBondContact O-N 3.28Å; I447-L455 HydrophobicContact CG2-CD1 4.32Å; I447-R494 PolarHBondContact O-NH1 3.05Å |
| 448 | D | 52 | Low | 57.5 | Low | 113 Ų | 113 | 94.3 Ų | 94.3 | 60% | 0.604 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -6.8 | -171 | -77.1 | -17.9 | 0 | 0 | 0 | 115.4 | D445 R494 | D445-D448 PolarHBondContact O-N 2.84Å; D448-R494 IonicContact OD1-CZ 2.84Å; D448-R494 IonicContact OD1-NH1 3.54Å; D448-R494 PolarHBondContact OD1-NH1 3.37Å |
| 449 | Q | 54.1 | Low | 60.5 | Low | 172 Ų | 172 | 90.8 Ų | 90.8 | 80% | 0.804 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -8.7 | 173.2 | -60.7 | 179.8 | -0 | 0 | 0 | 113.8 | I447 | I447-Q449 VanDerWaalsContact C-N 3.27Å; I447-Q449 PolarHBondContact O-N 3.37Å |
| 450 | I | 65.3 | Low | 62.8 | Low | 38 Ų | 38 | 82.2 Ų | 82.2 | 20% | 0.195 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -88.9 | 140.5 | -176.2 | -55.4 | 177.3 | 0 | 0 | 0 | 110.6 | I447 T454 L455 R494 | I447-I450 PolarHBondContact O-N 3.28Å; I450-T454 HydrophobicContact CG2-CG2 4.46Å; I450-L455 HydrophobicContact CB-CD2 4.38Å; I450-L455 HydrophobicContact CB-CG 4.38Å; I450-L455 HydrophobicContact CD1-CD2 4.41Å; I450-L455 HydrophobicContact CG2-CD2 3.93Å; I450-L455 HydrophobicContact CG2-CG 3.89Å; I450-R494 PolarHBondContact O-NH2 3.46Å |
| 451 | T | 73.8 | Confident | 65.4 | Low | 96 Ų | 96 | 74.2 Ų | 74.2 | 59% | 0.589 | 41% | 0.405 | S | S | * | . | trans | -67.8 | 134 | 174.8 | 31.4 | 0 | 0 | 0 | 0 | 113.6 | N453 T454 L455 | T451-N453 VanDerWaalsContact C-N 3.25Å; T451-N453 PolarHBondContact O-N 2.92Å; T451-N453 VanDerWaalsContact O-N 3.16Å; T451-T454 VanDerWaalsContact O-CB 3.32Å; T451-T454 WeakPolarHBondContact O-CB 3.5Å; T451-T454 PolarHBondContact O-N 2.94Å; T451-T454 PolarHBondContact O-OG1 3.18Å; T451-T454 PolarHBondContact OG1-OG1 3.38Å; T451-L455 PolarHBondContact O-N 3.06Å | ||
| 452 | D | 74.6 | Confident | 68.2 | Low | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.203 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -53.9 | -36.3 | -178.3 | -76.8 | 3.3 | 0 | 0 | 0 | 113.9 | T454 L455 M456 R494 L495 N498 | D452-T454 PolarHBondContact O-N 2.68Å; D452-L455 PolarHBondContact O-N 2.96Å; D452-M456 PolarHBondContact O-N 2.85Å; D452-R494 IonicContact OD1-CZ 2.87Å; D452-R494 VanDerWaalsContact OD1-CZ 3.31Å; D452-R494 IonicContact OD1-NE 3.17Å; D452-R494 PolarHBondContact OD1-NE 2.56Å; D452-R494 IonicContact OD1-NH2 2.79Å; D452-R494 PolarHBondContact OD1-NH2 2.94Å; D452-L495 HydrophobicContact CB-CD2 3.76Å; D452-N498 WeakPolarHBondContact OD2-CB 3.43Å; D452-N498 PolarHBondContact OD2-ND2 2.84Å |
| 453 | N | 76.5 | Confident | 70.7 | Confident | 101 Ų | 101 | 67.7 Ų | 67.7 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -61.3 | -44 | 177.5 | -67.2 | -9.3 | 0 | 0 | 0 | 111.6 | T451 L455 M456 E457 | T451-N453 VanDerWaalsContact C-N 3.25Å; T451-N453 PolarHBondContact O-N 2.92Å; T451-N453 VanDerWaalsContact O-N 3.16Å; N453-L455 VanDerWaalsContact C-N 3.34Å; N453-L455 PolarHBondContact O-N 3.09Å; N453-M456 WeakPolarHBondContact O-CB 3.29Å; N453-M456 PolarHBondContact O-N 3.03Å; N453-M456 WeakPolarHBondContact OD1-CE 3.35Å; N453-E457 WeakPolarHBondContact O-CG 3.13Å; N453-E457 PolarHBondContact O-N 3.17Å |
| 454 | T | 79.3 | Confident | 73.1 | Confident | 45 Ų | 45 | 60.4 Ų | 60.4 | 28% | 0.276 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 176 | -40.3 | 0 | 0 | 0 | 0 | 111.5 | I450 T451 D452 M456 E457 E458 | I450-T454 HydrophobicContact CG2-CG2 4.46Å; T451-T454 VanDerWaalsContact O-CB 3.32Å; T451-T454 WeakPolarHBondContact O-CB 3.5Å; T451-T454 PolarHBondContact O-N 2.94Å; T451-T454 PolarHBondContact O-OG1 3.18Å; T451-T454 PolarHBondContact OG1-OG1 3.38Å; D452-T454 PolarHBondContact O-N 2.68Å; T454-M456 PolarHBondContact O-N 2.94Å; T454-E457 PolarHBondContact O-N 2.8Å; T454-E458 HydrophobicContact CG2-CG 4.31Å; T454-E458 VanDerWaalsContact O-CB 3.31Å; T454-E458 WeakPolarHBondContact O-CB 3.49Å; T454-E458 VanDerWaalsContact O-CG 3.28Å; T454-E458 WeakPolarHBondContact O-CG 3.38Å; T454-E458 PolarHBondContact O-N 3.33Å |
| 455 | L | 80.1 | Confident | 75.4 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -68.4 | -11.6 | 174.9 | -64.4 | 175.9 | 0 | 0 | 0 | 114.1 | H413 I447 I450 T451 D452 N453 | H413-L455 PolarHBondContact NE2-O 2.95Å; I447-L455 HydrophobicContact CG2-CD1 4.32Å; I450-L455 HydrophobicContact CB-CD2 4.38Å; I450-L455 HydrophobicContact CB-CG 4.38Å; I450-L455 HydrophobicContact CD1-CD2 4.41Å; I450-L455 HydrophobicContact CG2-CD2 3.93Å; I450-L455 HydrophobicContact CG2-CG 3.89Å; T451-L455 PolarHBondContact O-N 3.06Å; D452-L455 PolarHBondContact O-N 2.96Å; N453-L455 VanDerWaalsContact C-N 3.34Å; N453-L455 PolarHBondContact O-N 3.09Å |
| 456 | M | 81.8 | Confident | 78 | Confident | 20 Ų | 20 | 50.8 Ų | 50.8 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -94 | -48.4 | 169.2 | -66.7 | -179.2 | -66.8 | 0 | 0 | 110.6 | D452 N453 T454 E458 S459 M462 I463 M466 L495 R499 | D452-M456 PolarHBondContact O-N 2.85Å; N453-M456 WeakPolarHBondContact O-CB 3.29Å; N453-M456 PolarHBondContact O-N 3.03Å; N453-M456 WeakPolarHBondContact OD1-CE 3.35Å; T454-M456 PolarHBondContact O-N 2.94Å; M456-E458 VanDerWaalsContact C-N 3.28Å; M456-E458 PolarHBondContact O-N 2.72Å; M456-S459 PolarHBondContact O-N 3.2Å; M456-M462 HydrophobicContact CG-CG 4.3Å; M456-I463 VanDerWaalsContact O-CG1 3.23Å; M456-I463 WeakPolarHBondContact O-CG1 3.35Å; M456-M466 HydrophobicContact SD-CG 4.33Å; M456-L495 HydrophobicContact CG-CD1 3.92Å; M456-L495 HydrophobicContact CG-CD2 3.99Å; M456-L495 HydrophobicContact SD-CD2 4.27Å; M456-R499 PolarHBondContact SD-NH2 2.86Å |
| 457 | E | 84.3 | Confident | 80 | Confident | 123 Ų | 123 | 45.8 Ų | 45.8 | 58% | 0.575 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.5 | -28.8 | -178.3 | -71.1 | 163 | -153.9 | 0 | 0 | 113.2 | V374 N453 T454 S459 | V374-E457 WeakPolarHBondContact CG1-O 3.38Å; N453-E457 WeakPolarHBondContact O-CG 3.13Å; N453-E457 PolarHBondContact O-N 3.17Å; T454-E457 PolarHBondContact O-N 2.8Å; E457-S459 VanDerWaalsContact C-N 3.28Å; E457-S459 PolarHBondContact O-N 3.14Å |
| 458 | E | 85.6 | Confident | 81.8 | Confident | 14 Ų | 14 | 43.3 Ų | 43.3 | 7% | 0.065 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -10.8 | 177.8 | -80.2 | -174.8 | -172.7 | 0 | 0 | 115.2 | L376 Q377 H413 P414 R415 T454 M456 | L376-E458 HydrophobicContact CD2-CG 3.98Å; Q377-E458 WeakPolarHBondContact CG-O 3.37Å; H413-E458 IonicContact CE1-OE2 2.7Å; H413-E458 PolarHBondContact CE1-OE2 3.15Å; P414-E458 WeakPolarHBondContact CD-O 3.47Å; P414-E458 HydrophobicContact CG-CB 3.87Å; P414-E458 HydrophobicContact CG-CG 4.4Å; P414-E458 WeakPolarHBondContact CG-O 3.46Å; R415-E458 WeakPolarHBondContact CD-OE2 3.45Å; R415-E458 WeakPolarHBondContact CG-OE2 3.32Å; R415-E458 IonicContact CZ-OE1 3.16Å; R415-E458 IonicContact CZ-OE2 3.81Å; R415-E458 IonicContact NE-OE1 2.66Å; R415-E458 PolarHBondContact NE-OE1 2.95Å; R415-E458 VanDerWaalsContact NE-OE1 3.14Å; R415-E458 IonicContact NE-OE2 3.47Å; R415-E458 PolarHBondContact NE-OE2 2.96Å; R415-E458 IonicContact NH1-OE1 2.74Å; R415-E458 PolarHBondContact NH1-OE1 2.83Å; R415-E458 IonicContact NH1-OE2 3.8Å; T454-E458 HydrophobicContact CG2-CG 4.31Å; T454-E458 VanDerWaalsContact O-CB 3.31Å; T454-E458 WeakPolarHBondContact O-CB 3.49Å; T454-E458 VanDerWaalsContact O-CG 3.28Å; T454-E458 WeakPolarHBondContact O-CG 3.38Å; T454-E458 PolarHBondContact O-N 3.33Å; M456-E458 VanDerWaalsContact C-N 3.28Å; M456-E458 PolarHBondContact O-N 2.72Å |
| 459 | S | 89.7 | Confident | 83.7 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -143.5 | 121.7 | 179.9 | 174.6 | 0 | 0 | 0 | 0 | 114.5 | D412 H413 M456 E457 K461 M462 I463 | D412-S459 WeakPolarHBondContact O-CB 3.46Å; D412-S459 PolarHBondContact O-OG 3.48Å; H413-S459 VanDerWaalsContact CD2-CB 3.48Å; H413-S459 WeakPolarHBondContact CD2-CB 3.3Å; M456-S459 PolarHBondContact O-N 3.2Å; E457-S459 VanDerWaalsContact C-N 3.28Å; E457-S459 PolarHBondContact O-N 3.14Å; S459-K461 PolarHBondContact O-N 2.97Å; S459-K461 PolarHBondContact OG-N 3.37Å; S459-M462 WeakPolarHBondContact O-CB 3.4Å; S459-M462 PolarHBondContact O-N 2.84Å; S459-I463 PolarHBondContact O-N 3.35Å; S459-I463 VanDerWaalsContact O-N 3.16Å | ||
| 460 | G | 88.8 | Confident | 85.5 | Confident | 10 Ų | 10 | 34.6 Ų | 34.6 | 10% | 0.103 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.5 | -31.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | V374 M462 F464 | V374-G460 VanDerWaalsContact CG2-N 3.34Å; G460-M462 VanDerWaalsContact C-N 3.35Å; G460-F464 PolarHBondContact O-N 3.05Å |
| 461 | K | 91.3 | Very high | 86.7 | Confident | 1 Ų | 1 | 37 Ų | 37 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 172.5 | -65.4 | -165.4 | -174.2 | -175.3 | 0 | 112.2 | I371 C411 D412 S459 L465 F554 T586 E591 | I371-K461 HydrophobicContact CD1-CG 4.31Å; C411-K461 WeakPolarHBondContact O-CE 3.47Å; D412-K461 IonicContact OD1-NZ 3.58Å; D412-K461 PolarHBondContact OD1-NZ 2.85Å; S459-K461 PolarHBondContact O-N 2.97Å; S459-K461 PolarHBondContact OG-N 3.37Å; K461-L465 WeakPolarHBondContact O-CB 3.22Å; K461-L465 PolarHBondContact O-N 3.11Å; K461-F554 HydrophobicContact CB-CE1 4.28Å; K461-F554 HydrophobicContact CB-CE2 3.66Å; K461-F554 HydrophobicContact CB-CZ 3.48Å; K461-F554 VanDerWaalsContact CB-CZ 3.48Å; K461-F554 HydrophobicContact CD-CD1 4.21Å; K461-F554 HydrophobicContact CD-CE1 3.74Å; K461-F554 HydrophobicContact CD-CE2 4.31Å; K461-F554 HydrophobicContact CD-CZ 3.81Å; K461-F554 HydrophobicContact CG-CZ 4.33Å; K461-F554 PolarHBondContact NZ-O 3.18Å; K461-T586 HydrophobicContact CG-CG2 4.21Å; K461-E591 WeakPolarHBondContact CE-OE2 3.34Å; K461-E591 IonicContact NZ-OE1 2.76Å; K461-E591 PolarHBondContact NZ-OE1 3.41Å; K461-E591 IonicContact NZ-OE2 3.46Å; K461-E591 PolarHBondContact NZ-OE2 3Å |
| 462 | M | 90.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -72.1 | -42.7 | -177.6 | -166 | 61 | 64.8 | 0 | 0 | 111.8 | M456 S459 G460 L465 M466 I488 I491 I492 L495 F554 | M456-M462 HydrophobicContact CG-CG 4.3Å; S459-M462 WeakPolarHBondContact O-CB 3.4Å; S459-M462 PolarHBondContact O-N 2.84Å; G460-M462 VanDerWaalsContact C-N 3.35Å; M462-L465 PolarHBondContact O-N 3.14Å; M462-L465 HydrophobicContact SD-CD2 4.3Å; M462-M466 HydrophobicContact CG-CG 4.48Å; M462-M466 WeakPolarHBondContact O-CB 3.45Å; M462-M466 WeakPolarHBondContact O-CG 3.42Å; M462-M466 PolarHBondContact O-N 3.22Å; M462-M466 HydrophobicContact SD-CE 3.63Å; M462-M466 HydrophobicContact SD-CG 4.37Å; M462-I488 HydrophobicContact CE-CD1 3.52Å; M462-I488 HydrophobicContact CE-CG1 4.22Å; M462-I491 HydrophobicContact CE-CG2 3.87Å; M462-I492 HydrophobicContact CE-CG1 3.86Å; M462-I492 HydrophobicContact SD-CG1 4.08Å; M462-L495 HydrophobicContact CE-CD1 4.49Å; M462-L495 HydrophobicContact CG-CD1 3.83Å; M462-L495 HydrophobicContact SD-CD1 3.68Å; M462-F554 HydrophobicContact CE-CZ 4.42Å |
| 463 | I | 90.8 | Very high | 88.2 | Confident | 74 Ų | 74 | 34.7 Ų | 34.7 | 38% | 0.379 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -54.3 | -57.7 | 173.4 | -58 | 172.5 | 0 | 0 | 0 | 109.4 | V374 M456 S459 L465 M466 D467 | V374-I463 HydrophobicContact CG2-CD1 4.3Å; M456-I463 VanDerWaalsContact O-CG1 3.23Å; M456-I463 WeakPolarHBondContact O-CG1 3.35Å; S459-I463 PolarHBondContact O-N 3.35Å; S459-I463 VanDerWaalsContact O-N 3.16Å; I463-L465 PolarHBondContact O-N 2.78Å; I463-M466 PolarHBondContact O-N 3.3Å; I463-D467 PolarHBondContact O-N 3.39Å |
| 464 | F | 92.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 34.6 Ų | 34.6 | 4% | 0.039 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.6 | -43.5 | -179.4 | 179.9 | -94.4 | 0 | 0 | 0 | 112.7 | I369 I371 G460 M466 L468 L584 L663 L666 I668 | I369-F464 HydrophobicContact CB-CE1 4.37Å; I369-F464 HydrophobicContact CB-CZ 4.34Å; I369-F464 HydrophobicContact CD1-CZ 4.45Å; I369-F464 HydrophobicContact CG1-CE1 4.18Å; I369-F464 HydrophobicContact CG1-CZ 4.04Å; I369-F464 HydrophobicContact CG2-CD1 4.41Å; I369-F464 HydrophobicContact CG2-CD2 4.46Å; I369-F464 HydrophobicContact CG2-CE1 3.85Å; I369-F464 HydrophobicContact CG2-CE2 3.91Å; I369-F464 HydrophobicContact CG2-CZ 3.58Å; I371-F464 HydrophobicContact CD1-CB 3.99Å; I371-F464 HydrophobicContact CD1-CD1 3.9Å; I371-F464 HydrophobicContact CD1-CG 4.01Å; G460-F464 PolarHBondContact O-N 3.05Å; F464-M466 PolarHBondContact O-N 3.39Å; F464-L468 HydrophobicContact CE1-CB 4.38Å; F464-L468 HydrophobicContact CE1-CD2 3.83Å; F464-L468 HydrophobicContact CZ-CD2 4.36Å; F464-L468 WeakPolarHBondContact O-CB 3.33Å; F464-L468 PolarHBondContact O-N 2.84Å; F464-L584 HydrophobicContact CD1-CD1 4.37Å; F464-L584 HydrophobicContact CD1-CD2 3.82Å; F464-L584 HydrophobicContact CE1-CD2 3.61Å; F464-L663 HydrophobicContact CE2-CD2 4.14Å; F464-L663 HydrophobicContact CZ-CD2 3.96Å; F464-L666 HydrophobicContact CD2-CB 4.13Å; F464-L666 HydrophobicContact CD2-CD1 3.87Å; F464-L666 HydrophobicContact CE2-CB 4.34Å; F464-L666 HydrophobicContact CE2-CD1 3.74Å; F464-I668 HydrophobicContact CD2-CG2 3.56Å; F464-I668 HydrophobicContact CE2-CG2 3.57Å |
| 465 | L | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.7 | -44.4 | 178.7 | 179.2 | 70 | 0 | 0 | 0 | 111.9 | K461 M462 I463 L469 V481 I492 V552 F554 | K461-L465 WeakPolarHBondContact O-CB 3.22Å; K461-L465 PolarHBondContact O-N 3.11Å; M462-L465 PolarHBondContact O-N 3.14Å; M462-L465 HydrophobicContact SD-CD2 4.3Å; I463-L465 PolarHBondContact O-N 2.78Å; L465-L469 HydrophobicContact CD1-CD1 3.86Å; L465-L469 HydrophobicContact CD1-CG 4.04Å; L465-L469 HydrophobicContact CD2-CD1 4.41Å; L465-L469 HydrophobicContact CG-CD1 3.84Å; L465-L469 HydrophobicContact CG-CG 4.32Å; L465-L469 WeakPolarHBondContact O-CB 3.47Å; L465-L469 VanDerWaalsContact O-CG 3.26Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.39Å; L465-V481 HydrophobicContact CD1-CG1 4.49Å; L465-V481 HydrophobicContact CD1-CG2 4.5Å; L465-I492 HydrophobicContact CD2-CD1 3.66Å; L465-I492 HydrophobicContact CD2-CG1 3.79Å; L465-I492 HydrophobicContact CD2-CG2 4.26Å; L465-V552 HydrophobicContact CD1-CB 4.49Å; L465-V552 HydrophobicContact CD1-CG1 3.93Å; L465-V552 HydrophobicContact CD1-CG2 4.47Å; L465-F554 HydrophobicContact CB-CE2 4.38Å; L465-F554 HydrophobicContact CD2-CD2 3.88Å; L465-F554 HydrophobicContact CD2-CE2 3.89Å |
| 466 | M | 91.1 | Very high | 89.5 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -70.8 | -35.4 | -174.2 | -72.1 | -65.3 | 155.3 | 0 | 0 | 112.7 | M456 M462 I463 F464 K470 I492 L495 L496 | M456-M466 HydrophobicContact SD-CG 4.33Å; M462-M466 HydrophobicContact CG-CG 4.48Å; M462-M466 WeakPolarHBondContact O-CB 3.45Å; M462-M466 WeakPolarHBondContact O-CG 3.42Å; M462-M466 PolarHBondContact O-N 3.22Å; M462-M466 HydrophobicContact SD-CE 3.63Å; M462-M466 HydrophobicContact SD-CG 4.37Å; I463-M466 PolarHBondContact O-N 3.3Å; F464-M466 PolarHBondContact O-N 3.39Å; M466-K470 WeakPolarHBondContact O-CB 3.4Å; M466-K470 PolarHBondContact O-N 3.19Å; M466-I492 HydrophobicContact CE-CG2 4.31Å; M466-L495 HydrophobicContact CE-CB 3.57Å; M466-L495 HydrophobicContact CE-CD1 3.91Å; M466-L495 HydrophobicContact CE-CG 4.4Å; M466-L495 HydrophobicContact SD-CB 4.09Å; M466-L496 HydrophobicContact CE-CD2 4.4Å; M466-L496 HydrophobicContact CE-CG 4.27Å; M466-L496 HydrophobicContact SD-CD2 4.05Å |
| 467 | D | 90.8 | Very high | 89.9 | Confident | 50 Ų | 50 | 38.6 Ų | 38.6 | 27% | 0.267 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -80.8 | -30.3 | 176.7 | -68.9 | -24.6 | 0 | 0 | 0 | 112.7 | I463 R471 R499 Y662 L666 | I463-D467 PolarHBondContact O-N 3.39Å; D467-R471 WeakPolarHBondContact O-CB 3.23Å; D467-R471 PolarHBondContact O-N 3.04Å; D467-R499 IonicContact OD1-NH1 2.75Å; D467-Y662 PolarHBondContact O-OH 3.12Å; D467-Y662 VanDerWaalsContact O-OH 3.11Å; D467-L666 HydrophobicContact CB-CD1 4.48Å; D467-L666 HydrophobicContact CB-CD2 4.08Å |
| 468 | L | 92 | Very high | 90.3 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.1 | -51.1 | 166.5 | 176.5 | 62.9 | 0 | 0 | 0 | 111.2 | F464 K470 R471 L472 V552 Y582 L663 | F464-L468 HydrophobicContact CE1-CB 4.38Å; F464-L468 HydrophobicContact CE1-CD2 3.83Å; F464-L468 HydrophobicContact CZ-CD2 4.36Å; F464-L468 WeakPolarHBondContact O-CB 3.33Å; F464-L468 PolarHBondContact O-N 2.84Å; L468-K470 VanDerWaalsContact C-N 3.32Å; L468-K470 PolarHBondContact O-N 2.85Å; L468-R471 PolarHBondContact O-N 3.31Å; L468-L472 HydrophobicContact CD1-CD1 3.79Å; L468-L472 HydrophobicContact CD1-CG 3.92Å; L468-L472 HydrophobicContact CG-CD1 3.85Å; L468-L472 HydrophobicContact CG-CG 4.32Å; L468-L472 WeakPolarHBondContact O-CB 3.48Å; L468-L472 WeakPolarHBondContact O-CG 3.21Å; L468-L472 PolarHBondContact O-N 3.46Å; L468-V552 HydrophobicContact CD2-CG2 3.89Å; L468-Y582 HydrophobicContact CD1-CE1 4.35Å; L468-Y582 HydrophobicContact CD1-CE2 4.37Å; L468-Y582 HydrophobicContact CD2-CD2 4.07Å; L468-Y582 HydrophobicContact CD2-CE2 4.35Å; L468-Y582 HydrophobicContact CD2-CG 4.15Å; L468-L663 HydrophobicContact CD1-CD2 3.87Å |
| 469 | L | 92.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -178.7 | -72.1 | 177.8 | 0 | 0 | 0 | 112.5 | L465 R473 T479 V481 L496 F501 V531 | L465-L469 HydrophobicContact CD1-CD1 3.86Å; L465-L469 HydrophobicContact CD1-CG 4.04Å; L465-L469 HydrophobicContact CD2-CD1 4.41Å; L465-L469 HydrophobicContact CG-CD1 3.84Å; L465-L469 HydrophobicContact CG-CG 4.32Å; L465-L469 WeakPolarHBondContact O-CB 3.47Å; L465-L469 VanDerWaalsContact O-CG 3.26Å; L465-L469 WeakPolarHBondContact O-CG 3.43Å; L465-L469 PolarHBondContact O-N 3.39Å; L469-R473 WeakPolarHBondContact O-CB 3.46Å; L469-R473 PolarHBondContact O-N 2.89Å; L469-T479 HydrophobicContact CD2-CG2 3.71Å; L469-V481 HydrophobicContact CD1-CG2 4.3Å; L469-V481 HydrophobicContact CD2-CG2 4.17Å; L469-L496 HydrophobicContact CD1-CD1 4.16Å; L469-L496 HydrophobicContact CD1-CD2 3.92Å; L469-F501 HydrophobicContact CB-CE1 4.41Å; L469-V531 HydrophobicContact CD2-CG1 4.42Å; L469-V531 HydrophobicContact CD2-CG2 4.07Å |
| 470 | K | 91.4 | Very high | 90.9 | Very high | 101 Ų | 101 | 33.1 Ų | 33.1 | 44% | 0.439 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.2 | -56.7 | 169.1 | -178.1 | -177 | 174.6 | -171.4 | 0 | 110.6 | M466 L468 L472 R473 D474 | M466-K470 WeakPolarHBondContact O-CB 3.4Å; M466-K470 PolarHBondContact O-N 3.19Å; L468-K470 VanDerWaalsContact C-N 3.32Å; L468-K470 PolarHBondContact O-N 2.85Å; K470-L472 VanDerWaalsContact C-N 3.33Å; K470-L472 PolarHBondContact O-N 3.28Å; K470-R473 PolarHBondContact O-N 3.23Å; K470-D474 PolarHBondContact O-N 3.47Å |
| 471 | R | 90.4 | Very high | 91.2 | Very high | 90 Ų | 90 | 32.6 Ų | 32.6 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -57.3 | -43.5 | 179.6 | 178.5 | 65.9 | -172.6 | -158.6 | -1.3 | 112.6 | D467 L468 D474 E475 Y662 | D467-R471 WeakPolarHBondContact O-CB 3.23Å; D467-R471 PolarHBondContact O-N 3.04Å; L468-R471 PolarHBondContact O-N 3.31Å; R471-D474 CarbonylContact O-C 3.5Å; R471-D474 PolarHBondContact O-N 3Å; R471-E475 HydrophobicContact CG-CG 4.49Å; R471-E475 IonicContact CZ-OE1 2.72Å; R471-E475 IonicContact NE-OE1 3.28Å; R471-E475 PolarHBondContact NE-OE1 3.25Å; R471-E475 IonicContact NH2-OE1 2.89Å; R471-E475 PolarHBondContact NH2-OE1 3.31Å; R471-E475 WeakPolarHBondContact O-CB 3.31Å; R471-E475 WeakPolarHBondContact O-CG 3.47Å; R471-E475 PolarHBondContact O-N 3.26Å; R471-Y662 HydrophobicContact CB-CD1 4.33Å; R471-Y662 HydrophobicContact CB-CE1 3.52Å; R471-Y662 HydrophobicContact CG-CD1 3.81Å; R471-Y662 HydrophobicContact CG-CE1 3.52Å |
| 472 | L | 90.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.8 | -35.2 | -179.4 | -70.8 | 179.5 | 0 | 0 | 0 | 113.3 | L468 K470 E475 G476 H477 T479 R550 Y582 | L468-L472 HydrophobicContact CD1-CD1 3.79Å; L468-L472 HydrophobicContact CD1-CG 3.92Å; L468-L472 HydrophobicContact CG-CD1 3.85Å; L468-L472 HydrophobicContact CG-CG 4.32Å; L468-L472 WeakPolarHBondContact O-CB 3.48Å; L468-L472 WeakPolarHBondContact O-CG 3.21Å; L468-L472 PolarHBondContact O-N 3.46Å; K470-L472 VanDerWaalsContact C-N 3.33Å; K470-L472 PolarHBondContact O-N 3.28Å; L472-E475 PolarHBondContact O-N 3.39Å; L472-G476 PolarHBondContact O-N 3.17Å; L472-H477 PolarHBondContact O-N 3.04Å; L472-T479 HydrophobicContact CD1-CG2 4.16Å; L472-R550 HydrophobicContact CD1-CB 4.02Å; L472-R550 HydrophobicContact CD1-CG 3.95Å; L472-R550 HydrophobicContact CD2-CG 3.82Å; L472-R550 HydrophobicContact CG-CG 4.45Å; L472-Y582 HydrophobicContact CD1-CE2 3.99Å |
| 473 | R | 89.6 | Confident | 91.4 | Very high | 84 Ų | 84 | 32.6 Ų | 32.6 | 32% | 0.317 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -65.4 | -43.8 | 170.8 | 179 | -163.5 | 65.1 | -167.2 | 1.1 | 110.9 | L469 K470 E475 G476 F501 | L469-R473 WeakPolarHBondContact O-CB 3.46Å; L469-R473 PolarHBondContact O-N 2.89Å; K470-R473 PolarHBondContact O-N 3.23Å; R473-E475 VanDerWaalsContact C-N 3.27Å; R473-E475 PolarHBondContact O-N 2.72Å; R473-G476 WeakPolarHBondContact O-CA 3.41Å; R473-G476 PolarHBondContact O-N 3.4Å; R473-F501 HydrophobicContact CB-CE1 3.89Å; R473-F501 HydrophobicContact CG-CE1 4.29Å |
| 474 | D | 89 | Confident | 91.3 | Very high | 100 Ų | 100 | 32.4 Ų | 32.4 | 54% | 0.535 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -70.2 | -25.6 | -178.8 | -55.3 | -11.8 | 0 | 0 | 0 | 111.2 | K470 R471 G476 | K470-D474 PolarHBondContact O-N 3.47Å; R471-D474 CarbonylContact O-C 3.5Å; R471-D474 PolarHBondContact O-N 3Å; D474-G476 VanDerWaalsContact C-N 3.31Å |
| 475 | E | 87.5 | Confident | 91.1 | Very high | 52 Ų | 52 | 33 Ų | 33 | 24% | 0.243 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -6.3 | 165.6 | -73.7 | 175.6 | -172.3 | 0 | 0 | 114.2 | R471 L472 R473 H477 R550 H659 | R471-E475 HydrophobicContact CG-CG 4.49Å; R471-E475 IonicContact CZ-OE1 2.72Å; R471-E475 IonicContact NE-OE1 3.28Å; R471-E475 PolarHBondContact NE-OE1 3.25Å; R471-E475 IonicContact NH2-OE1 2.89Å; R471-E475 PolarHBondContact NH2-OE1 3.31Å; R471-E475 WeakPolarHBondContact O-CB 3.31Å; R471-E475 WeakPolarHBondContact O-CG 3.47Å; R471-E475 PolarHBondContact O-N 3.26Å; L472-E475 PolarHBondContact O-N 3.39Å; R473-E475 VanDerWaalsContact C-N 3.27Å; R473-E475 PolarHBondContact O-N 2.72Å; E475-H477 IonicContact OE2-CD2 3.96Å; E475-R550 IonicContact OE2-NH2 2.72Å; E475-H659 IonicContact OE1-CE1 3.28Å; E475-H659 IonicContact OE1-CG 3.44Å; E475-H659 IonicContact OE1-ND1 3.03Å; E475-H659 PolarHBondContact OE1-ND1 2.97Å; E475-H659 IonicContact OE2-CE1 3.32Å; E475-H659 IonicContact OE2-ND1 2.73Å; E475-H659 PolarHBondContact OE2-ND1 2.7Å |
| 476 | G | 87.5 | Confident | 90.9 | Very high | 63 Ų | 63 | 39 Ų | 39 | 65% | 0.649 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.4 | 25.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L472 R473 D474 | L472-G476 PolarHBondContact O-N 3.17Å; R473-G476 WeakPolarHBondContact O-CA 3.41Å; R473-G476 PolarHBondContact O-N 3.4Å; D474-G476 VanDerWaalsContact C-N 3.31Å |
| 477 | H | 90.1 | Very high | 90.7 | Very high | 37 Ų | 37 | 43 Ų | 43 | 17% | 0.171 | 21% | 0.211 | C | C | . | . | trans | -103.1 | 128.2 | -174.5 | -72 | -36.9 | 0 | 0 | 0 | 114.1 | L472 E475 T479 T549 R550 | L472-H477 PolarHBondContact O-N 3.04Å; E475-H477 IonicContact OE2-CD2 3.96Å; H477-T479 PolarHBondContact O-OG1 2.93Å; H477-T549 WeakPolarHBondContact CB-OG1 3.49Å; H477-T549 PolarHBondContact ND1-OG1 3.36Å; H477-R550 HydrophobicContact CB-CG 4.04Å; H477-R550 PolarHBondContact CD2-NH2 3.11Å; H477-R550 PolarHBondContact NE2-NH2 2.93Å | ||
| 478 | Q | 92.4 | Very high | 90.7 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 9% | 0.089 | 20% | 0.198 | C | C | . | . | trans | -78.5 | 125 | 173.7 | -67.1 | -170.8 | -87.6 | 0 | 0 | 110.5 | F523 Y529 A548 T549 R550 | Q478-F523 HydrophobicContact CB-CE2 4.4Å; Q478-F523 HydrophobicContact CB-CZ 4.03Å; Q478-F523 PolarHBondContact NE2-O 3.28Å; Q478-Y529 PolarHBondContact NE2-O 3.36Å; Q478-A548 WeakPolarHBondContact O-CA 3.47Å; Q478-T549 PolarHBondContact O-N 3.3Å; Q478-R550 PolarHBondContact O-N 3.3Å | ||
| 479 | T | 93.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 130.9 | -168.5 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | L469 L472 H477 S530 V531 F532 R550 V552 | L469-T479 HydrophobicContact CD2-CG2 3.71Å; L472-T479 HydrophobicContact CD1-CG2 4.16Å; H477-T479 PolarHBondContact O-OG1 2.93Å; T479-S530 PolarHBondContact N-O 2.79Å; T479-V531 WeakPolarHBondContact O-CA 3.24Å; T479-F532 PolarHBondContact O-N 3Å; T479-R550 WeakPolarHBondContact CA-O 3.17Å; T479-R550 HydrophobicContact CG2-CB 3.95Å; T479-V552 HydrophobicContact CG2-CG2 4.05Å |
| 480 | L | 94.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 139.6 | 164.7 | -54.1 | -167.3 | 0 | 0 | 0 | 110 | F482 F523 F532 L534 L545 A548 R550 V552 V570 | L480-F482 HydrophobicContact CB-CD2 4.47Å; L480-F482 HydrophobicContact CB-CE2 3.97Å; L480-F482 HydrophobicContact CB-CZ 4.39Å; L480-F482 HydrophobicContact CD1-CE2 3.83Å; L480-F482 HydrophobicContact CD1-CZ 3.69Å; L480-F523 HydrophobicContact CD2-CE1 3.85Å; L480-F523 HydrophobicContact CD2-CZ 3.87Å; L480-F532 WeakPolarHBondContact CA-O 3.36Å; L480-F532 HydrophobicContact CD2-CB 3.71Å; L480-F532 HydrophobicContact CD2-CD1 3.94Å; L480-F532 HydrophobicContact CD2-CG 4.22Å; L480-L534 HydrophobicContact CB-CD1 4.44Å; L480-L534 HydrophobicContact CD1-CD1 3.91Å; L480-L534 HydrophobicContact CD2-CD1 4.12Å; L480-L534 HydrophobicContact CG-CD1 4.4Å; L480-L545 HydrophobicContact CD1-CB 4.18Å; L480-L545 HydrophobicContact CD1-CD1 3.65Å; L480-L545 HydrophobicContact CD2-CD1 4.22Å; L480-A548 HydrophobicContact CD1-CB 4.41Å; L480-A548 HydrophobicContact CD2-CB 3.81Å; L480-A548 HydrophobicContact CG-CB 3.71Å; L480-R550 PolarHBondContact N-O 3.39Å; L480-V552 PolarHBondContact O-N 3.46Å; L480-V570 HydrophobicContact CD1-CG2 3.25Å; L480-V570 HydrophobicContact CG-CG2 3.93Å |
| 481 | V | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 119.1 | 168.4 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | L465 L469 I492 V531 F532 L533 L534 V552 | L465-V481 HydrophobicContact CD1-CG1 4.49Å; L465-V481 HydrophobicContact CD1-CG2 4.5Å; L469-V481 HydrophobicContact CD1-CG2 4.3Å; L469-V481 HydrophobicContact CD2-CG2 4.17Å; V481-I492 HydrophobicContact CG1-CD1 4.49Å; V481-V531 HydrophobicContact CG2-CG1 3.89Å; V481-F532 PolarHBondContact N-O 2.92Å; V481-L533 HydrophobicContact CB-CD2 3.9Å; V481-L533 HydrophobicContact CG2-CD2 4.25Å; V481-L534 PolarHBondContact O-N 3Å; V481-V552 HydrophobicContact CG2-CB 4.39Å |
| 482 | F | 93.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 133.6 | 177 | -68.8 | -73.4 | 0 | 0 | 0 | 111.4 | L480 L534 V551 V552 F554 A566 | L480-F482 HydrophobicContact CB-CD2 4.47Å; L480-F482 HydrophobicContact CB-CE2 3.97Å; L480-F482 HydrophobicContact CB-CZ 4.39Å; L480-F482 HydrophobicContact CD1-CE2 3.83Å; L480-F482 HydrophobicContact CD1-CZ 3.69Å; F482-L534 WeakPolarHBondContact CA-O 3.37Å; F482-L534 HydrophobicContact CD1-CB 3.57Å; F482-L534 HydrophobicContact CD1-CD1 4.41Å; F482-L534 HydrophobicContact CE1-CB 3.53Å; F482-L534 HydrophobicContact CE1-CD1 3.61Å; F482-L534 HydrophobicContact CE1-CG 4.17Å; F482-L534 HydrophobicContact CZ-CD1 3.85Å; F482-V551 HydrophobicContact CD2-CG1 3.67Å; F482-V551 HydrophobicContact CE2-CG1 3.69Å; F482-V552 PolarHBondContact N-O 2.98Å; F482-F554 WeakPolarHBondContact O-CB 3.33Å; F482-F554 PolarHBondContact O-N 3.02Å; F482-A566 HydrophobicContact CD1-CB 4.17Å; F482-A566 HydrophobicContact CD2-CB 4.1Å; F482-A566 HydrophobicContact CE1-CB 4.03Å; F482-A566 HydrophobicContact CE2-CB 3.96Å; F482-A566 HydrophobicContact CG-CB 4.2Å; F482-A566 HydrophobicContact CZ-CB 3.92Å |
| 483 | S | 92.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 156.1 | 169.2 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | S485 I488 L534 T535 T536 D555 | S483-S485 PolarHBondContact OG-N 2.76Å; S483-I488 WeakPolarHBondContact OG-CG2 3.31Å; S483-L534 PolarHBondContact N-O 3.48Å; S483-T535 CarbonylContact O-C 3.52Å; S483-T535 WeakPolarHBondContact O-CA 3.49Å; S483-T536 PolarHBondContact O-N 3.25Å; S483-T536 PolarHBondContact O-OG1 3Å; S483-D555 WeakPolarHBondContact CA-OD1 3.35Å; S483-D555 WeakPolarHBondContact CB-OD1 3.38Å; S483-D555 PolarHBondContact OG-OD1 3.48Å |
| 484 | Q | 89.4 | Confident | 90.4 | Very high | 70 Ų | 70 | 35.2 Ų | 35.2 | 33% | 0.327 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -85.4 | -26.3 | 172.8 | -61.3 | 157.7 | 49.6 | 0 | 0 | 112 | D555 P556 | Q484-D555 WeakPolarHBondContact CB-OD2 3.1Å; Q484-D555 VanDerWaalsContact CG-OD2 3.23Å; Q484-D555 WeakPolarHBondContact CG-OD2 3.33Å; Q484-D555 PolarHBondContact N-OD1 2.94Å; Q484-D555 PolarHBondContact N-OD2 2.94Å; Q484-D555 PolarHBondContact NE2-O 3.34Å; Q484-D555 PolarHBondContact NE2-OD2 3.19Å; Q484-P556 PolarHBondContact NE2-O 2.59Å |
| 485 | S | 87.8 | Confident | 90.3 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 16% | 0.161 | 16% | 0.158 | C | C | . | . | trans | -89 | 128.8 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 112.3 | S483 Q487 I488 L489 | S483-S485 PolarHBondContact OG-N 2.76Å; S485-Q487 VanDerWaalsContact C-N 3.32Å; S485-Q487 PolarHBondContact OG-N 2.93Å; S485-I488 PolarHBondContact OG-N 2.87Å; S485-L489 WeakPolarHBondContact O-CG 3.43Å | ||
| 486 | R | 88.6 | Confident | 90.4 | Very high | 124 Ų | 124 | 28.1 Ų | 28.1 | 47% | 0.468 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -72.2 | -26 | 171.1 | -71.7 | -178.5 | 62 | -126.1 | -13.9 | 112.9 | N490 D507 T535 | R486-N490 PolarHBondContact O-N 3.22Å; R486-N490 PolarHBondContact O-OD1 3.34Å; R486-N490 VanDerWaalsContact O-OD1 3.06Å; R486-D507 HydrophobicContact CG-CB 4.41Å; R486-D507 IonicContact CZ-OD2 2.77Å; R486-D507 IonicContact NE-OD1 3.82Å; R486-D507 IonicContact NE-OD2 2.71Å; R486-D507 PolarHBondContact NE-OD2 2.9Å; R486-D507 IonicContact NH2-OD2 2.73Å; R486-D507 PolarHBondContact NH2-OD2 3.27Å; R486-T535 HydrophobicContact CG-CG2 4.2Å |
| 487 | Q | 87.3 | Confident | 90.4 | Very high | 88 Ų | 88 | 30.2 Ų | 30.2 | 41% | 0.411 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -71.3 | -43.9 | -179.8 | -70.3 | 171.6 | -51.7 | 0 | 0 | 111.3 | L416 S485 L489 N490 I491 | L416-Q487 HydrophobicContact CD2-CB 3.38Å; L416-Q487 HydrophobicContact CD2-CG 4.38Å; S485-Q487 VanDerWaalsContact C-N 3.32Å; S485-Q487 PolarHBondContact OG-N 2.93Å; Q487-L489 VanDerWaalsContact C-N 3.3Å; Q487-L489 PolarHBondContact O-N 2.98Å; Q487-N490 WeakPolarHBondContact O-CB 3.42Å; Q487-N490 PolarHBondContact O-N 3.07Å; Q487-N490 VanDerWaalsContact O-N 3.08Å; Q487-I491 PolarHBondContact O-N 3.23Å |
| 488 | I | 90.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67.6 | -32.8 | 177 | -160.4 | 62.8 | 0 | 0 | 0 | 111.6 | H413 L416 M462 S483 S485 N490 I491 I492 F554 | H413-I488 HydrophobicContact CB-CD1 3.85Å; L416-I488 HydrophobicContact CD1-CB 4.31Å; L416-I488 HydrophobicContact CD1-CD1 4.39Å; M462-I488 HydrophobicContact CE-CD1 3.52Å; M462-I488 HydrophobicContact CE-CG1 4.22Å; S483-I488 WeakPolarHBondContact OG-CG2 3.31Å; S485-I488 PolarHBondContact OG-N 2.87Å; I488-N490 VanDerWaalsContact C-N 3.3Å; I488-N490 PolarHBondContact O-N 3.45Å; I488-I491 HydrophobicContact CD1-CB 4.39Å; I488-I491 HydrophobicContact CD1-CD1 4.06Å; I488-I491 PolarHBondContact O-N 2.9Å; I488-I492 HydrophobicContact CG1-CD1 4.11Å; I488-I492 HydrophobicContact CG1-CG1 4.48Å; I488-I492 WeakPolarHBondContact O-CB 3.34Å; I488-I492 VanDerWaalsContact O-CG1 3.26Å; I488-I492 WeakPolarHBondContact O-CG1 3.28Å; I488-I492 PolarHBondContact O-N 3.05Å; I488-F554 HydrophobicContact CD1-CE1 4.34Å; I488-F554 HydrophobicContact CD1-CZ 4.32Å; I488-F554 HydrophobicContact CG1-CD1 4.29Å; I488-F554 HydrophobicContact CG1-CE1 3.7Å; I488-F554 HydrophobicContact CG1-CZ 3.99Å |
| 489 | L | 91.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.5 | -32.3 | 170.9 | -67.2 | -176.8 | 0 | 0 | 0 | 112.7 | S485 Q487 E493 L533 T535 | S485-L489 WeakPolarHBondContact O-CG 3.43Å; Q487-L489 VanDerWaalsContact C-N 3.3Å; Q487-L489 PolarHBondContact O-N 2.98Å; L489-E493 WeakPolarHBondContact O-CB 3.49Å; L489-E493 PolarHBondContact O-N 3.39Å; L489-L533 HydrophobicContact CD2-CB 4.3Å; L489-T535 HydrophobicContact CD1-CG2 3.56Å |
| 490 | N | 90.2 | Very high | 89.4 | Confident | 75 Ų | 75 | 43.9 Ų | 43.9 | 40% | 0.401 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -65.3 | -46 | 171.7 | -63.4 | -3.9 | 0 | 0 | 0 | 111.3 | R486 Q487 I488 E493 R494 R505 | R486-N490 PolarHBondContact O-N 3.22Å; R486-N490 PolarHBondContact O-OD1 3.34Å; R486-N490 VanDerWaalsContact O-OD1 3.06Å; Q487-N490 WeakPolarHBondContact O-CB 3.42Å; Q487-N490 PolarHBondContact O-N 3.07Å; Q487-N490 VanDerWaalsContact O-N 3.08Å; I488-N490 VanDerWaalsContact C-N 3.3Å; I488-N490 PolarHBondContact O-N 3.45Å; N490-E493 PolarHBondContact O-N 3.28Å; N490-R494 PolarHBondContact O-N 2.96Å; N490-R505 VanDerWaalsContact OD1-CZ 3.26Å; N490-R505 PolarHBondContact OD1-NH1 3.36Å; N490-R505 PolarHBondContact OD1-NH2 3.31Å |
| 491 | I | 88.8 | Confident | 89 | Confident | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.026 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -48.7 | 179.3 | -63 | 167.7 | 0 | 0 | 0 | 110.3 | M462 Q487 I488 E493 R494 L495 | M462-I491 HydrophobicContact CE-CG2 3.87Å; Q487-I491 PolarHBondContact O-N 3.23Å; I488-I491 HydrophobicContact CD1-CB 4.39Å; I488-I491 HydrophobicContact CD1-CD1 4.06Å; I488-I491 PolarHBondContact O-N 2.9Å; I491-E493 PolarHBondContact O-N 2.88Å; I491-R494 PolarHBondContact O-N 2.87Å; I491-L495 HydrophobicContact CG2-CD1 3.93Å; I491-L495 WeakPolarHBondContact O-CG 3.48Å; I491-L495 PolarHBondContact O-N 3.32Å |
| 492 | I | 90.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.2 | -66.1 | 166 | 0 | 0 | 0 | 110.7 | M462 L465 M466 V481 I488 R494 L495 L496 L533 F554 | M462-I492 HydrophobicContact CE-CG1 3.86Å; M462-I492 HydrophobicContact SD-CG1 4.08Å; L465-I492 HydrophobicContact CD2-CD1 3.66Å; L465-I492 HydrophobicContact CD2-CG1 3.79Å; L465-I492 HydrophobicContact CD2-CG2 4.26Å; M466-I492 HydrophobicContact CE-CG2 4.31Å; V481-I492 HydrophobicContact CG1-CD1 4.49Å; I488-I492 HydrophobicContact CG1-CD1 4.11Å; I488-I492 HydrophobicContact CG1-CG1 4.48Å; I488-I492 WeakPolarHBondContact O-CB 3.34Å; I488-I492 VanDerWaalsContact O-CG1 3.26Å; I488-I492 WeakPolarHBondContact O-CG1 3.28Å; I488-I492 PolarHBondContact O-N 3.05Å; I492-R494 PolarHBondContact O-N 2.89Å; I492-L495 PolarHBondContact O-N 3.26Å; I492-L496 HydrophobicContact CG2-CD1 3.64Å; I492-L496 HydrophobicContact CG2-CG 4.21Å; I492-L496 VanDerWaalsContact O-CB 3.3Å; I492-L496 WeakPolarHBondContact O-CB 3.46Å; I492-L496 WeakPolarHBondContact O-CG 3.16Å; I492-L496 PolarHBondContact O-N 3.02Å; I492-L533 HydrophobicContact CG2-CD1 4.26Å; I492-L533 HydrophobicContact CG2-CD2 3.75Å; I492-F554 HydrophobicContact CD1-CD2 4.37Å |
| 493 | E | 90.8 | Very high | 88.6 | Confident | 39 Ų | 39 | 50.7 Ų | 50.7 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 179.6 | -171.2 | -178.8 | 153.9 | 0 | 0 | 112.6 | L489 N490 I491 K497 R505 L533 | L489-E493 WeakPolarHBondContact O-CB 3.49Å; L489-E493 PolarHBondContact O-N 3.39Å; N490-E493 PolarHBondContact O-N 3.28Å; I491-E493 PolarHBondContact O-N 2.88Å; E493-K497 HydrophobicContact CG-CD 4.37Å; E493-K497 WeakPolarHBondContact O-CB 3.43Å; E493-K497 VanDerWaalsContact O-CG 3.26Å; E493-K497 WeakPolarHBondContact O-CG 3.41Å; E493-K497 PolarHBondContact O-N 3.44Å; E493-K497 VanDerWaalsContact OE1-CE 3.28Å; E493-K497 WeakPolarHBondContact OE1-CE 3.47Å; E493-K497 IonicContact OE1-NZ 3.66Å; E493-K497 PolarHBondContact OE1-NZ 3.39Å; E493-R505 WeakPolarHBondContact OE2-CD 3.2Å; E493-R505 IonicContact OE2-CZ 3.46Å; E493-R505 IonicContact OE2-NE 2.76Å; E493-R505 IonicContact OE2-NH1 3.61Å; E493-R505 PolarHBondContact OE2-NH1 2.87Å; E493-L533 HydrophobicContact CB-CD1 3.68Å; E493-L533 HydrophobicContact CG-CD1 4.17Å |
| 494 | R | 88.3 | Confident | 88.6 | Confident | 43 Ų | 43 | 51.7 Ų | 51.7 | 16% | 0.162 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.7 | -52.9 | 174.7 | 173.1 | 173.3 | 154.3 | -172.7 | -12.3 | 111.9 | I447 D448 I450 D452 N490 I491 I492 L496 K497 N498 | I447-R494 PolarHBondContact O-NH1 3.05Å; D448-R494 IonicContact OD1-CZ 2.84Å; D448-R494 IonicContact OD1-NH1 3.54Å; D448-R494 PolarHBondContact OD1-NH1 3.37Å; I450-R494 PolarHBondContact O-NH2 3.46Å; D452-R494 IonicContact OD1-CZ 2.87Å; D452-R494 VanDerWaalsContact OD1-CZ 3.31Å; D452-R494 IonicContact OD1-NE 3.17Å; D452-R494 PolarHBondContact OD1-NE 2.56Å; D452-R494 IonicContact OD1-NH2 2.79Å; D452-R494 PolarHBondContact OD1-NH2 2.94Å; N490-R494 PolarHBondContact O-N 2.96Å; I491-R494 PolarHBondContact O-N 2.87Å; I492-R494 PolarHBondContact O-N 2.89Å; R494-L496 PolarHBondContact O-N 3.41Å; R494-K497 PolarHBondContact O-N 3.3Å; R494-K497 VanDerWaalsContact O-N 3.12Å; R494-N498 PolarHBondContact O-N 2.95Å |
| 495 | L | 87.5 | Confident | 88.7 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.01 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -36.2 | -179.6 | -69.4 | 172.1 | 0 | 0 | 0 | 111.9 | D452 M456 M462 M466 I491 I492 R499 | D452-L495 HydrophobicContact CB-CD2 3.76Å; M456-L495 HydrophobicContact CG-CD1 3.92Å; M456-L495 HydrophobicContact CG-CD2 3.99Å; M456-L495 HydrophobicContact SD-CD2 4.27Å; M462-L495 HydrophobicContact CE-CD1 4.49Å; M462-L495 HydrophobicContact CG-CD1 3.83Å; M462-L495 HydrophobicContact SD-CD1 3.68Å; M466-L495 HydrophobicContact CE-CB 3.57Å; M466-L495 HydrophobicContact CE-CD1 3.91Å; M466-L495 HydrophobicContact CE-CG 4.4Å; M466-L495 HydrophobicContact SD-CB 4.09Å; I491-L495 HydrophobicContact CG2-CD1 3.93Å; I491-L495 WeakPolarHBondContact O-CG 3.48Å; I491-L495 PolarHBondContact O-N 3.32Å; I492-L495 PolarHBondContact O-N 3.26Å; L495-R499 WeakPolarHBondContact O-CB 3.05Å; L495-R499 WeakPolarHBondContact O-CG 3.49Å; L495-R499 PolarHBondContact O-N 2.8Å |
| 496 | L | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.5 | -39.9 | 175 | -71.2 | 177 | 0 | 0 | 0 | 113.1 | M466 L469 I492 R494 N498 R499 H500 F501 T503 V531 L533 | M466-L496 HydrophobicContact CE-CD2 4.4Å; M466-L496 HydrophobicContact CE-CG 4.27Å; M466-L496 HydrophobicContact SD-CD2 4.05Å; L469-L496 HydrophobicContact CD1-CD1 4.16Å; L469-L496 HydrophobicContact CD1-CD2 3.92Å; I492-L496 HydrophobicContact CG2-CD1 3.64Å; I492-L496 HydrophobicContact CG2-CG 4.21Å; I492-L496 VanDerWaalsContact O-CB 3.3Å; I492-L496 WeakPolarHBondContact O-CB 3.46Å; I492-L496 WeakPolarHBondContact O-CG 3.16Å; I492-L496 PolarHBondContact O-N 3.02Å; R494-L496 PolarHBondContact O-N 3.41Å; L496-N498 VanDerWaalsContact C-N 3.35Å; L496-R499 CarbonylContact O-C 3.56Å; L496-R499 PolarHBondContact O-N 3.2Å; L496-H500 PolarHBondContact O-N 3.21Å; L496-F501 HydrophobicContact CB-CB 4.09Å; L496-F501 HydrophobicContact CB-CD2 4.43Å; L496-F501 HydrophobicContact CB-CG 4.45Å; L496-F501 HydrophobicContact CD2-CB 4.24Å; L496-F501 HydrophobicContact CD2-CD1 4.09Å; L496-F501 HydrophobicContact CD2-CD2 3.63Å; L496-F501 HydrophobicContact CD2-CE1 4.29Å; L496-F501 HydrophobicContact CD2-CE2 3.86Å; L496-F501 HydrophobicContact CD2-CG 3.75Å; L496-F501 HydrophobicContact CD2-CZ 4.19Å; L496-F501 WeakPolarHBondContact O-CB 2.98Å; L496-F501 PolarHBondContact O-N 3.13Å; L496-T503 HydrophobicContact CB-CG2 3.68Å; L496-T503 HydrophobicContact CD1-CG2 3.81Å; L496-T503 HydrophobicContact CG-CG2 4.36Å; L496-V531 HydrophobicContact CD1-CB 4.32Å; L496-V531 HydrophobicContact CD1-CG1 3.94Å; L496-V531 HydrophobicContact CD1-CG2 4.49Å; L496-L533 HydrophobicContact CD1-CD2 4.26Å |
| 497 | K | 87.6 | Confident | 88.4 | Confident | 108 Ų | 108 | 43 Ų | 43 | 47% | 0.47 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60 | -45.4 | 173 | -77.7 | 167.8 | -176.4 | 167.5 | 0 | 111.4 | E493 R494 R499 H500 | E493-K497 HydrophobicContact CG-CD 4.37Å; E493-K497 WeakPolarHBondContact O-CB 3.43Å; E493-K497 VanDerWaalsContact O-CG 3.26Å; E493-K497 WeakPolarHBondContact O-CG 3.41Å; E493-K497 PolarHBondContact O-N 3.44Å; E493-K497 VanDerWaalsContact OE1-CE 3.28Å; E493-K497 WeakPolarHBondContact OE1-CE 3.47Å; E493-K497 IonicContact OE1-NZ 3.66Å; E493-K497 PolarHBondContact OE1-NZ 3.39Å; R494-K497 PolarHBondContact O-N 3.3Å; R494-K497 VanDerWaalsContact O-N 3.12Å; K497-R499 VanDerWaalsContact C-N 3.32Å; K497-R499 PolarHBondContact O-N 3.38Å; K497-H500 WeakPolarHBondContact O-CA 3.5Å; K497-H500 PolarHBondContact O-N 3.16Å |
| 498 | N | 85.4 | Confident | 87.9 | Confident | 85 Ų | 85 | 41.6 Ų | 41.6 | 46% | 0.455 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -71.8 | -27.1 | -176.9 | -65.1 | -1 | 0 | 0 | 0 | 112.1 | D452 R494 L496 H500 | D452-N498 WeakPolarHBondContact OD2-CB 3.43Å; D452-N498 PolarHBondContact OD2-ND2 2.84Å; R494-N498 PolarHBondContact O-N 2.95Å; L496-N498 VanDerWaalsContact C-N 3.35Å; N498-H500 VanDerWaalsContact C-N 3.28Å; N498-H500 PolarHBondContact O-N 3.03Å |
| 499 | R | 84.7 | Confident | 87.3 | Confident | 89 Ų | 89 | 45.4 Ų | 45.4 | 34% | 0.336 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 18.8 | 166.4 | -66.2 | -176.9 | 172.2 | -151.7 | -1.3 | 114.1 | M456 D467 L495 L496 K497 F501 | M456-R499 PolarHBondContact SD-NH2 2.86Å; D467-R499 IonicContact OD1-NH1 2.75Å; L495-R499 WeakPolarHBondContact O-CB 3.05Å; L495-R499 WeakPolarHBondContact O-CG 3.49Å; L495-R499 PolarHBondContact O-N 2.8Å; L496-R499 CarbonylContact O-C 3.56Å; L496-R499 PolarHBondContact O-N 3.2Å; K497-R499 VanDerWaalsContact C-N 3.32Å; K497-R499 PolarHBondContact O-N 3.38Å; R499-F501 VanDerWaalsContact C-N 3.33Å; R499-F501 HydrophobicContact CB-CD2 3.78Å; R499-F501 HydrophobicContact CB-CE2 3.69Å; R499-F501 WeakPolarHBondContact O-CD2 3.38Å; R499-F501 PolarHBondContact O-N 3.29Å |
| 500 | H | 84.6 | Confident | 86.7 | Confident | 171 Ų | 171 | 46.6 Ų | 46.6 | 79% | 0.792 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 30.1 | 176.6 | -57.7 | -46.7 | 0 | 0 | 0 | 116.8 | L496 K497 N498 | L496-H500 PolarHBondContact O-N 3.21Å; K497-H500 WeakPolarHBondContact O-CA 3.5Å; K497-H500 PolarHBondContact O-N 3.16Å; N498-H500 VanDerWaalsContact C-N 3.28Å; N498-H500 PolarHBondContact O-N 3.03Å |
| 501 | F | 86.2 | Confident | 85.7 | Confident | 13 Ų | 13 | 48.4 Ų | 48.4 | 6% | 0.057 | 25% | 0.25 | C | C | . | . | trans | -77.9 | 132.9 | 171.6 | -70.5 | -106.1 | 0 | 0 | 0 | 111.1 | L469 R473 L496 R499 T503 V531 | L469-F501 HydrophobicContact CB-CE1 4.41Å; R473-F501 HydrophobicContact CB-CE1 3.89Å; R473-F501 HydrophobicContact CG-CE1 4.29Å; L496-F501 HydrophobicContact CB-CB 4.09Å; L496-F501 HydrophobicContact CB-CD2 4.43Å; L496-F501 HydrophobicContact CB-CG 4.45Å; L496-F501 HydrophobicContact CD2-CB 4.24Å; L496-F501 HydrophobicContact CD2-CD1 4.09Å; L496-F501 HydrophobicContact CD2-CD2 3.63Å; L496-F501 HydrophobicContact CD2-CE1 4.29Å; L496-F501 HydrophobicContact CD2-CE2 3.86Å; L496-F501 HydrophobicContact CD2-CG 3.75Å; L496-F501 HydrophobicContact CD2-CZ 4.19Å; L496-F501 WeakPolarHBondContact O-CB 2.98Å; L496-F501 PolarHBondContact O-N 3.13Å; R499-F501 VanDerWaalsContact C-N 3.33Å; R499-F501 HydrophobicContact CB-CD2 3.78Å; R499-F501 HydrophobicContact CB-CE2 3.69Å; R499-F501 WeakPolarHBondContact O-CD2 3.38Å; R499-F501 PolarHBondContact O-N 3.29Å; F501-T503 HydrophobicContact CB-CG2 3.94Å; F501-T503 PolarHBondContact O-N 2.88Å; F501-V531 HydrophobicContact CD1-CG2 4.05Å | ||
| 502 | K | 88 | Confident | 85.1 | Confident | 105 Ų | 105 | 54.2 Ų | 54.2 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | trans | -74.5 | 104.4 | 165.1 | -71.8 | 177.3 | 179.3 | 168.8 | 0 | 108.9 | D528 Y529 S530 | K502-D528 WeakPolarHBondContact CB-O 3.46Å; K502-D528 HydrophobicContact CD-CB 3.73Å; K502-D528 VanDerWaalsContact NZ-CG 3.26Å; K502-D528 IonicContact NZ-OD1 2.72Å; K502-D528 IonicContact NZ-OD2 2.81Å; K502-D528 PolarHBondContact NZ-OD2 3.2Å; K502-Y529 HydrophobicContact CB-CD1 3.99Å; K502-Y529 HydrophobicContact CB-CE1 4.28Å; K502-S530 PolarHBondContact O-N 2.74Å | ||
| 503 | T | 91.6 | Very high | 84.3 | Confident | 24 Ų | 24 | 57 Ų | 57 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 156 | -177.9 | 63.3 | 0 | 0 | 0 | 0 | 112.8 | L496 F501 V531 | L496-T503 HydrophobicContact CB-CG2 3.68Å; L496-T503 HydrophobicContact CD1-CG2 3.81Å; L496-T503 HydrophobicContact CG-CG2 4.36Å; F501-T503 HydrophobicContact CB-CG2 3.94Å; F501-T503 PolarHBondContact O-N 2.88Å; T503-V531 WeakPolarHBondContact CA-O 3.48Å; T503-V531 HydrophobicContact CG2-CB 4.28Å |
| 504 | L | 91.8 | Very high | 83.7 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 161.3 | 164.9 | -67.5 | 168.3 | 0 | 0 | 0 | 109.6 | L522 F523 Y529 V531 F532 L533 | L504-L522 HydrophobicContact CD1-CD2 3.63Å; L504-L522 HydrophobicContact CD2-CD2 3.94Å; L504-L522 HydrophobicContact CG-CD2 4.36Å; L504-F523 HydrophobicContact CD1-CB 3.7Å; L504-F523 HydrophobicContact CD1-CD2 4.09Å; L504-F523 HydrophobicContact CD1-CG 4.36Å; L504-Y529 HydrophobicContact CD1-CD1 3.9Å; L504-Y529 HydrophobicContact CD1-CD2 4.35Å; L504-Y529 HydrophobicContact CD1-CE1 4.42Å; L504-Y529 HydrophobicContact CD1-CG 3.83Å; L504-Y529 HydrophobicContact CD2-CD1 4.01Å; L504-Y529 HydrophobicContact CD2-CE1 3.84Å; L504-Y529 HydrophobicContact CG-CD1 3.54Å; L504-Y529 HydrophobicContact CG-CE1 3.93Å; L504-Y529 HydrophobicContact CG-CG 4.02Å; L504-V531 PolarHBondContact N-O 2.88Å; L504-V531 VanDerWaalsContact N-O 3.08Å; L504-F532 HydrophobicContact CB-CD2 3.53Å; L504-F532 HydrophobicContact CB-CE2 3.67Å; L504-F532 HydrophobicContact CB-CG 4.25Å; L504-L533 PolarHBondContact O-N 2.59Å |
| 505 | R | 91.3 | Very high | 83.5 | Confident | 31 Ų | 31 | 62.2 Ų | 62.2 | 12% | 0.117 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 140.4 | 177.7 | 179.9 | 170.4 | 171.5 | 162.7 | -0.1 | 112.1 | N490 E493 D507 R519 L533 | N490-R505 VanDerWaalsContact OD1-CZ 3.26Å; N490-R505 PolarHBondContact OD1-NH1 3.36Å; N490-R505 PolarHBondContact OD1-NH2 3.31Å; E493-R505 WeakPolarHBondContact OE2-CD 3.2Å; E493-R505 IonicContact OE2-CZ 3.46Å; E493-R505 IonicContact OE2-NE 2.76Å; E493-R505 IonicContact OE2-NH1 3.61Å; E493-R505 PolarHBondContact OE2-NH1 2.87Å; R505-D507 IonicContact CZ-OD2 2.71Å; R505-D507 IonicContact NE-OD2 3.56Å; R505-D507 PolarHBondContact NE-OD2 2.94Å; R505-D507 IonicContact NH2-OD2 3.63Å; R505-D507 PolarHBondContact NH2-OD2 3.29Å; R505-R519 WeakPolarHBondContact O-CD 3.25Å; R505-L533 CarbonylContact C-O 3.34Å; R505-L533 VanDerWaalsContact CA-O 3.27Å; R505-L533 WeakPolarHBondContact CA-O 3.37Å; R505-L533 HydrophobicContact CB-CB 4.25Å; R505-L533 HydrophobicContact CG-CB 4.28Å |
| 506 | I | 88.3 | Confident | 83.3 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 115.2 | 157 | -54.2 | 161.9 | 0 | 0 | 0 | 109 | I510 R516 R519 I520 F532 L533 L534 T535 V538 | I506-I510 HydrophobicContact CB-CD1 4.33Å; I506-I510 HydrophobicContact CG1-CD1 4.43Å; I506-I510 HydrophobicContact CG2-CD1 4.12Å; I506-R516 HydrophobicContact CD1-CG 3.93Å; I506-R516 HydrophobicContact CG2-CG 4.1Å; I506-R519 HydrophobicContact CD1-CB 4.37Å; I506-R519 HydrophobicContact CG1-CB 4.38Å; I506-I520 HydrophobicContact CD1-CD1 4.21Å; I506-I520 HydrophobicContact CD1-CG1 3.84Å; I506-F532 HydrophobicContact CD1-CE2 3.97Å; I506-F532 HydrophobicContact CD1-CZ 3.5Å; I506-F532 HydrophobicContact CG1-CE2 3.86Å; I506-F532 HydrophobicContact CG1-CZ 3.94Å; I506-L533 PolarHBondContact N-O 3.22Å; I506-L534 HydrophobicContact CB-CD2 3.96Å; I506-L534 HydrophobicContact CD1-CD2 4.33Å; I506-T535 PolarHBondContact O-N 3.32Å; I506-V538 HydrophobicContact CB-CG1 4.24Å; I506-V538 HydrophobicContact CG2-CG1 3.69Å |
| 507 | D | 83.6 | Confident | 82.9 | Confident | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 34% | 0.339 | C | S | . | . | trans | -120.1 | -170 | 166.7 | 77.9 | 4.7 | 0 | 0 | 0 | 110.9 | R486 R505 T509 I510 T535 | R486-D507 HydrophobicContact CG-CB 4.41Å; R486-D507 IonicContact CZ-OD2 2.77Å; R486-D507 IonicContact NE-OD1 3.82Å; R486-D507 IonicContact NE-OD2 2.71Å; R486-D507 PolarHBondContact NE-OD2 2.9Å; R486-D507 IonicContact NH2-OD2 2.73Å; R486-D507 PolarHBondContact NH2-OD2 3.27Å; R505-D507 IonicContact CZ-OD2 2.71Å; R505-D507 IonicContact NE-OD2 3.56Å; R505-D507 PolarHBondContact NE-OD2 2.94Å; R505-D507 IonicContact NH2-OD2 3.63Å; R505-D507 PolarHBondContact NH2-OD2 3.29Å; D507-T509 PolarHBondContact O-N 2.92Å; D507-T509 VanDerWaalsContact O-N 3.16Å; D507-T509 WeakPolarHBondContact OD1-CB 3.31Å; D507-T509 WeakPolarHBondContact OD1-CG2 3.48Å; D507-T509 PolarHBondContact OD1-N 3.42Å; D507-T509 PolarHBondContact OD1-OG1 3.23Å; D507-I510 PolarHBondContact O-N 2.86Å; D507-T535 HydrophobicContact CB-CG2 3.71Å | ||
| 508 | G | 75.9 | Confident | 82.9 | Confident | 57 Ų | 57 | 68.3 Ų | 68.3 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -5.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 509 | T | 78.1 | Confident | 83.1 | Confident | 80 Ų | 80 | 67.6 Ų | 67.6 | 49% | 0.491 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -26.3 | 177.3 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | D507 T511 | D507-T509 PolarHBondContact O-N 2.92Å; D507-T509 VanDerWaalsContact O-N 3.16Å; D507-T509 WeakPolarHBondContact OD1-CB 3.31Å; D507-T509 WeakPolarHBondContact OD1-CG2 3.48Å; D507-T509 PolarHBondContact OD1-N 3.42Å; D507-T509 PolarHBondContact OD1-OG1 3.23Å; T509-T511 VanDerWaalsContact C-N 3.31Å; T509-T511 PolarHBondContact O-N 2.69Å |
| 510 | I | 79.1 | Confident | 83.2 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | trans | -82.9 | 81.7 | -177 | -62.2 | 149.6 | 0 | 0 | 0 | 108.7 | I506 D507 H512 E515 R516 | I506-I510 HydrophobicContact CB-CD1 4.33Å; I506-I510 HydrophobicContact CG1-CD1 4.43Å; I506-I510 HydrophobicContact CG2-CD1 4.12Å; D507-I510 PolarHBondContact O-N 2.86Å; I510-H512 VanDerWaalsContact C-N 3.33Å; I510-E515 HydrophobicContact CG2-CB 4.12Å; I510-R516 HydrophobicContact CG2-CB 4.23Å | ||
| 511 | T | 68.6 | Low | 83.4 | Confident | 112 Ų | 112 | 59.2 Ų | 59.2 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | trans | -69.8 | -28.7 | 177.9 | 55.4 | 0 | 0 | 0 | 0 | 112.5 | T509 L513 | T509-T511 VanDerWaalsContact C-N 3.31Å; T509-T511 PolarHBondContact O-N 2.69Å; T511-L513 PolarHBondContact O-N 2.99Å | ||
| 512 | H | 75.7 | Confident | 83.6 | Confident | 128 Ų | 128 | 62 Ų | 62 | 59% | 0.593 | 32% | 0.321 | S | S | * | . | trans | -79.3 | 107.7 | -177.9 | -66.6 | -65.9 | 0 | 0 | 0 | 112.5 | I510 L514 E515 R516 | I510-H512 VanDerWaalsContact C-N 3.33Å; H512-L514 PolarHBondContact O-N 3.03Å; H512-L514 VanDerWaalsContact O-N 3.16Å; H512-E515 HydrophobicContact CB-CB 4.07Å; H512-E515 WeakPolarHBondContact O-CB 3.44Å; H512-E515 PolarHBondContact O-N 3.07Å; H512-R516 PolarHBondContact O-N 3.19Å; H512-R516 VanDerWaalsContact O-N 3.14Å | ||
| 513 | L | 73.9 | Confident | 83.7 | Confident | 58 Ų | 58 | 57 Ų | 57 | 30% | 0.304 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -52.9 | -37.5 | 178.8 | -64.8 | 176.9 | 0 | 0 | 0 | 113.8 | N155 T511 E515 R516 E517 | N155-L513 HydrophobicContact CB-CD2 4.13Å; T511-L513 PolarHBondContact O-N 2.99Å; L513-E515 VanDerWaalsContact C-N 3.33Å; L513-E515 PolarHBondContact O-N 3.25Å; L513-R516 WeakPolarHBondContact O-CB 3.48Å; L513-R516 PolarHBondContact O-N 2.93Å; L513-E517 PolarHBondContact O-N 2.73Å |
| 514 | L | 79 | Confident | 83.6 | Confident | 121 Ų | 121 | 59 Ų | 59 | 63% | 0.634 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.5 | -34.6 | 178 | -63.9 | 175.8 | 0 | 0 | 0 | 112.6 | H512 K518 | H512-L514 PolarHBondContact O-N 3.03Å; H512-L514 VanDerWaalsContact O-N 3.16Å; L514-K518 VanDerWaalsContact O-CG 3.27Å; L514-K518 WeakPolarHBondContact O-CG 3.39Å; L514-K518 PolarHBondContact O-N 3.14Å |
| 515 | E | 83.8 | Confident | 83.5 | Confident | 71 Ų | 71 | 65.8 Ų | 65.8 | 33% | 0.332 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -75.4 | -36.8 | 179.1 | -156.3 | -161.7 | 144.1 | 0 | 0 | 111 | I510 H512 L513 K518 R519 | I510-E515 HydrophobicContact CG2-CB 4.12Å; H512-E515 HydrophobicContact CB-CB 4.07Å; H512-E515 WeakPolarHBondContact O-CB 3.44Å; H512-E515 PolarHBondContact O-N 3.07Å; L513-E515 VanDerWaalsContact C-N 3.33Å; L513-E515 PolarHBondContact O-N 3.25Å; E515-K518 PolarHBondContact O-N 3.44Å; E515-R519 VanDerWaalsContact CD-NH1 3.32Å; E515-R519 PolarHBondContact O-N 3.09Å; E515-R519 VanDerWaalsContact O-N 3.13Å; E515-R519 IonicContact OE1-CZ 3.9Å; E515-R519 IonicContact OE1-NH1 2.76Å; E515-R519 PolarHBondContact OE1-NH1 3.28Å; E515-R519 IonicContact OE1-NH2 3.21Å; E515-R519 PolarHBondContact OE1-NH2 3.11Å |
| 516 | R | 82.4 | Confident | 83.4 | Confident | 20 Ų | 20 | 67.1 Ų | 67.1 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 169.9 | -171.3 | 179.1 | 171.2 | 156 | -1.5 | 111.4 | N155 I506 I510 H512 L513 R519 I520 V538 V541 | N155-R516 PolarHBondContact ND2-NH1 3.31Å; I506-R516 HydrophobicContact CD1-CG 3.93Å; I506-R516 HydrophobicContact CG2-CG 4.1Å; I510-R516 HydrophobicContact CG2-CB 4.23Å; H512-R516 PolarHBondContact O-N 3.19Å; H512-R516 VanDerWaalsContact O-N 3.14Å; L513-R516 WeakPolarHBondContact O-CB 3.48Å; L513-R516 PolarHBondContact O-N 2.93Å; R516-R519 PolarHBondContact O-N 2.93Å; R516-I520 HydrophobicContact CG-CD1 4.01Å; R516-I520 WeakPolarHBondContact O-CD1 3.38Å; R516-I520 VanDerWaalsContact O-CG1 3.31Å; R516-I520 WeakPolarHBondContact O-CG1 3.41Å; R516-I520 PolarHBondContact O-N 3.13Å; R516-I520 VanDerWaalsContact O-N 3.14Å; R516-V538 PolarHBondContact NH2-O 3.45Å; R516-V541 PolarHBondContact NH2-O 3.26Å |
| 517 | E | 82.3 | Confident | 83.2 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 31% | 0.313 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 177.4 | -176.7 | 160.6 | -134.6 | 0 | 0 | 112 | K162 L513 R519 I520 N521 | K162-E517 IonicContact NZ-OE1 3.25Å; K162-E517 PolarHBondContact NZ-OE1 2.84Å; K162-E517 IonicContact NZ-OE2 3.9Å; K162-E517 PolarHBondContact NZ-OE2 2.77Å; L513-E517 PolarHBondContact O-N 2.73Å; E517-R519 PolarHBondContact O-N 2.78Å; E517-I520 PolarHBondContact O-N 2.89Å; E517-N521 PolarHBondContact O-N 3.16Å |
| 518 | K | 87.2 | Confident | 83.3 | Confident | 151 Ų | 151 | 78.8 Ų | 78.8 | 66% | 0.657 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -56.5 | -48.7 | 173.3 | -77.8 | 171.8 | -179 | -176.3 | 0 | 112.7 | L514 E515 I520 N521 L522 | L514-K518 VanDerWaalsContact O-CG 3.27Å; L514-K518 WeakPolarHBondContact O-CG 3.39Å; L514-K518 PolarHBondContact O-N 3.14Å; E515-K518 PolarHBondContact O-N 3.44Å; K518-I520 PolarHBondContact O-N 3.3Å; K518-N521 PolarHBondContact O-N 2.85Å; K518-L522 VanDerWaalsContact O-CB 3.26Å; K518-L522 WeakPolarHBondContact O-CB 3.36Å; K518-L522 PolarHBondContact O-N 2.73Å |
| 519 | R | 88.9 | Confident | 83.9 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 26% | 0.264 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 178 | -72 | -168.2 | -177.9 | 83 | 1.8 | 112.7 | R505 I506 E515 R516 E517 F523 | R505-R519 WeakPolarHBondContact O-CD 3.25Å; I506-R519 HydrophobicContact CD1-CB 4.37Å; I506-R519 HydrophobicContact CG1-CB 4.38Å; E515-R519 VanDerWaalsContact CD-NH1 3.32Å; E515-R519 PolarHBondContact O-N 3.09Å; E515-R519 VanDerWaalsContact O-N 3.13Å; E515-R519 IonicContact OE1-CZ 3.9Å; E515-R519 IonicContact OE1-NH1 2.76Å; E515-R519 PolarHBondContact OE1-NH1 3.28Å; E515-R519 IonicContact OE1-NH2 3.21Å; E515-R519 PolarHBondContact OE1-NH2 3.11Å; R516-R519 PolarHBondContact O-N 2.93Å; E517-R519 PolarHBondContact O-N 2.78Å; R519-F523 PolarHBondContact O-N 3.29Å |
| 520 | I | 87.7 | Confident | 84.4 | Confident | 18 Ų | 18 | 76 Ų | 76 | 9% | 0.092 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -65 | -43.7 | 177.8 | -70.6 | 161 | 0 | 0 | 0 | 111.7 | I506 R516 E517 K518 Q524 L543 L545 | I506-I520 HydrophobicContact CD1-CD1 4.21Å; I506-I520 HydrophobicContact CD1-CG1 3.84Å; R516-I520 HydrophobicContact CG-CD1 4.01Å; R516-I520 WeakPolarHBondContact O-CD1 3.38Å; R516-I520 VanDerWaalsContact O-CG1 3.31Å; R516-I520 WeakPolarHBondContact O-CG1 3.41Å; R516-I520 PolarHBondContact O-N 3.13Å; R516-I520 VanDerWaalsContact O-N 3.14Å; E517-I520 PolarHBondContact O-N 2.89Å; K518-I520 PolarHBondContact O-N 3.3Å; I520-Q524 WeakPolarHBondContact O-CG 3.35Å; I520-Q524 PolarHBondContact O-N 3.07Å; I520-Q524 VanDerWaalsContact O-N 3.17Å; I520-Q524 PolarHBondContact O-NE2 3.34Å; I520-L543 HydrophobicContact CD1-CD1 3.88Å; I520-L543 HydrophobicContact CD1-CD2 3.56Å; I520-L543 HydrophobicContact CD1-CG 4.31Å; I520-L543 HydrophobicContact CG1-CD1 4.41Å; I520-L545 HydrophobicContact CG1-CD2 4.4Å; I520-L545 HydrophobicContact CG2-CD2 4.13Å |
| 521 | N | 88.3 | Confident | 85 | Confident | 66 Ų | 66 | 74.9 Ų | 74.9 | 35% | 0.353 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 178.6 | -68.3 | -14.2 | 0 | 0 | 0 | 111.2 | E517 K518 F523 Q524 Q525 | E517-N521 PolarHBondContact O-N 3.16Å; K518-N521 PolarHBondContact O-N 2.85Å; N521-F523 PolarHBondContact O-N 3.09Å; N521-Q524 PolarHBondContact O-N 3.01Å; N521-Q525 WeakPolarHBondContact O-CB 3.49Å; N521-Q525 VanDerWaalsContact O-CG 3.28Å; N521-Q525 WeakPolarHBondContact O-CG 3.27Å; N521-Q525 PolarHBondContact O-N 3.12Å |
| 522 | L | 90.8 | Very high | 86.2 | Confident | 70 Ų | 70 | 69.6 Ų | 69.6 | 37% | 0.366 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.5 | -40 | 178.1 | -177 | 154.2 | 0 | 0 | 0 | 112.3 | L504 K518 N526 Y529 | L504-L522 HydrophobicContact CD1-CD2 3.63Å; L504-L522 HydrophobicContact CD2-CD2 3.94Å; L504-L522 HydrophobicContact CG-CD2 4.36Å; K518-L522 VanDerWaalsContact O-CB 3.26Å; K518-L522 WeakPolarHBondContact O-CB 3.36Å; K518-L522 PolarHBondContact O-N 2.73Å; L522-N526 WeakPolarHBondContact O-CB 3.37Å; L522-N526 PolarHBondContact O-N 3.26Å; L522-Y529 HydrophobicContact CD2-CD2 3.76Å; L522-Y529 HydrophobicContact CD2-CE1 4.35Å; L522-Y529 HydrophobicContact CD2-CE2 3.35Å; L522-Y529 HydrophobicContact CD2-CG 4.42Å; L522-Y529 HydrophobicContact CG-CE2 4.36Å |
| 523 | F | 90.8 | Very high | 87.1 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 172.8 | -178.8 | -107.9 | 0 | 0 | 0 | 113.4 | Q478 L480 L504 R519 N521 Y529 F532 L545 A547 A548 | Q478-F523 HydrophobicContact CB-CE2 4.4Å; Q478-F523 HydrophobicContact CB-CZ 4.03Å; Q478-F523 PolarHBondContact NE2-O 3.28Å; L480-F523 HydrophobicContact CD2-CE1 3.85Å; L480-F523 HydrophobicContact CD2-CZ 3.87Å; L504-F523 HydrophobicContact CD1-CB 3.7Å; L504-F523 HydrophobicContact CD1-CD2 4.09Å; L504-F523 HydrophobicContact CD1-CG 4.36Å; R519-F523 PolarHBondContact O-N 3.29Å; N521-F523 PolarHBondContact O-N 3.09Å; F523-Y529 WeakPolarHBondContact CE2-O 3.43Å; F523-F532 HydrophobicContact CB-CD1 4.04Å; F523-F532 HydrophobicContact CB-CE1 3.9Å; F523-F532 AromaticContact CD1-CD1 3.55Å; F523-F532 HydrophobicContact CD1-CD1 3.55Å; F523-F532 AromaticContact CD1-CE1 3.98Å; F523-F532 HydrophobicContact CD1-CE1 3.98Å; F523-F532 HydrophobicContact CD2-CB 4Å; F523-F532 AromaticContact CD2-CD1 3.88Å; F523-F532 HydrophobicContact CD2-CD1 3.88Å; F523-F532 HydrophobicContact CD2-CG 4.17Å; F523-F532 AromaticContact CE1-CD1 3.89Å; F523-F532 HydrophobicContact CE1-CD1 3.89Å; F523-F532 HydrophobicContact CE2-CB 3.71Å; F523-F532 HydrophobicContact CE2-CD1 4.2Å; F523-F532 HydrophobicContact CE2-CG 4.35Å; F523-F532 AromaticContact CG-CD1 3.53Å; F523-F532 HydrophobicContact CG-CD1 3.53Å; F523-F532 AromaticContact CG-CE1 3.9Å; F523-F532 HydrophobicContact CG-CE1 3.9Å; F523-F532 HydrophobicContact CG-CG 4.27Å; F523-F532 HydrophobicContact CZ-CB 3.98Å; F523-F532 HydrophobicContact CZ-CD1 4.2Å; F523-L545 HydrophobicContact CD1-CD2 4.27Å; F523-A547 HydrophobicContact CE1-CB 4.45Å; F523-A548 HydrophobicContact CE1-CB 4.11Å; F523-A548 HydrophobicContact CZ-CB 4.2Å |
| 524 | Q | 88.4 | Confident | 87.9 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 31% | 0.313 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -76.4 | -26.4 | -179.9 | -73.5 | 179.9 | 105.7 | 0 | 0 | 113.5 | I520 N521 A547 | I520-Q524 WeakPolarHBondContact O-CG 3.35Å; I520-Q524 PolarHBondContact O-N 3.07Å; I520-Q524 VanDerWaalsContact O-N 3.17Å; I520-Q524 PolarHBondContact O-NE2 3.34Å; N521-Q524 PolarHBondContact O-N 3.01Å; Q524-A547 HydrophobicContact CB-CB 4.32Å; Q524-A547 HydrophobicContact CG-CB 4.09Å |
| 525 | Q | 89.9 | Confident | 88.5 | Confident | 163 Ų | 163 | 55.4 Ų | 55.4 | 76% | 0.762 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -88.4 | -38.5 | 179.2 | -71.2 | 172.8 | -7.6 | 0 | 0 | 112.6 | N521 | N521-Q525 WeakPolarHBondContact O-CB 3.49Å; N521-Q525 VanDerWaalsContact O-CG 3.28Å; N521-Q525 WeakPolarHBondContact O-CG 3.27Å; N521-Q525 PolarHBondContact O-N 3.12Å |
| 526 | N | 89 | Confident | 88.6 | Confident | 59 Ų | 59 | 52.2 Ų | 52.2 | 32% | 0.316 | 25% | 0.246 | S | C | . | . | trans | -110.7 | 114.1 | -174.1 | -169.6 | -4.1 | 0 | 0 | 0 | 112.8 | L522 D528 Y529 | L522-N526 WeakPolarHBondContact O-CB 3.37Å; L522-N526 PolarHBondContact O-N 3.26Å; N526-D528 VanDerWaalsContact C-N 3.26Å; N526-D528 PolarHBondContact O-N 3.48Å; N526-D528 WeakPolarHBondContact OD1-CB 3.3Å; N526-D528 VanDerWaalsContact OD1-CG 3.31Å; N526-D528 PolarHBondContact OD1-N 2.95Å; N526-Y529 HydrophobicContact CB-CD2 4.11Å; N526-Y529 HydrophobicContact CB-CE2 4.28Å | ||
| 527 | K | 83.8 | Confident | 88.4 | Confident | 171 Ų | 171 | 58.9 Ų | 58.9 | 74% | 0.743 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -13.6 | 178.6 | -65.4 | -178.1 | 179.6 | 177.5 | 0 | 114.4 | Y529 | K527-Y529 PolarHBondContact O-N 2.78Å; K527-Y529 VanDerWaalsContact O-N 3.15Å |
| 528 | D | 86 | Confident | 88 | Confident | 80 Ų | 80 | 56.4 Ų | 56.4 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31.7 | 173.7 | -84.7 | 4 | 0 | 0 | 0 | 112.9 | K502 N526 S530 | K502-D528 WeakPolarHBondContact CB-O 3.46Å; K502-D528 HydrophobicContact CD-CB 3.73Å; K502-D528 VanDerWaalsContact NZ-CG 3.26Å; K502-D528 IonicContact NZ-OD1 2.72Å; K502-D528 IonicContact NZ-OD2 2.81Å; K502-D528 PolarHBondContact NZ-OD2 3.2Å; N526-D528 VanDerWaalsContact C-N 3.26Å; N526-D528 PolarHBondContact O-N 3.48Å; N526-D528 WeakPolarHBondContact OD1-CB 3.3Å; N526-D528 VanDerWaalsContact OD1-CG 3.31Å; N526-D528 PolarHBondContact OD1-N 2.95Å; D528-S530 PolarHBondContact O-N 3.06Å |
| 529 | Y | 88.1 | Confident | 86.8 | Confident | 57 Ų | 57 | 49.3 Ų | 49.3 | 22% | 0.224 | 24% | 0.236 | C | C | . | . | trans | -83.1 | 94.2 | -177.7 | -66.6 | -82.9 | 0 | 0 | 0 | 110.2 | Q478 K502 L504 L522 F523 N526 K527 | Q478-Y529 PolarHBondContact NE2-O 3.36Å; K502-Y529 HydrophobicContact CB-CD1 3.99Å; K502-Y529 HydrophobicContact CB-CE1 4.28Å; L504-Y529 HydrophobicContact CD1-CD1 3.9Å; L504-Y529 HydrophobicContact CD1-CD2 4.35Å; L504-Y529 HydrophobicContact CD1-CE1 4.42Å; L504-Y529 HydrophobicContact CD1-CG 3.83Å; L504-Y529 HydrophobicContact CD2-CD1 4.01Å; L504-Y529 HydrophobicContact CD2-CE1 3.84Å; L504-Y529 HydrophobicContact CG-CD1 3.54Å; L504-Y529 HydrophobicContact CG-CE1 3.93Å; L504-Y529 HydrophobicContact CG-CG 4.02Å; L522-Y529 HydrophobicContact CD2-CD2 3.76Å; L522-Y529 HydrophobicContact CD2-CE1 4.35Å; L522-Y529 HydrophobicContact CD2-CE2 3.35Å; L522-Y529 HydrophobicContact CD2-CG 4.42Å; L522-Y529 HydrophobicContact CG-CE2 4.36Å; F523-Y529 WeakPolarHBondContact CE2-O 3.43Å; N526-Y529 HydrophobicContact CB-CD2 4.11Å; N526-Y529 HydrophobicContact CB-CE2 4.28Å; K527-Y529 PolarHBondContact O-N 2.78Å; K527-Y529 VanDerWaalsContact O-N 3.15Å | ||
| 530 | S | 88.2 | Confident | 85.6 | Confident | 22 Ų | 22 | 46.6 Ų | 46.6 | 15% | 0.154 | 23% | 0.231 | C | C | . | . | trans | -71.9 | -29.3 | -176.5 | -36 | 0 | 0 | 0 | 0 | 113 | T479 K502 D528 | T479-S530 PolarHBondContact N-O 2.79Å; K502-S530 PolarHBondContact O-N 2.74Å; D528-S530 PolarHBondContact O-N 3.06Å | ||
| 531 | V | 93.4 | Very high | 84.4 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.012 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 134.6 | -174.3 | -170.9 | 0 | 0 | 0 | 0 | 112 | L469 T479 V481 L496 F501 T503 L504 L533 | L469-V531 HydrophobicContact CD2-CG1 4.42Å; L469-V531 HydrophobicContact CD2-CG2 4.07Å; T479-V531 WeakPolarHBondContact O-CA 3.24Å; V481-V531 HydrophobicContact CG2-CG1 3.89Å; L496-V531 HydrophobicContact CD1-CB 4.32Å; L496-V531 HydrophobicContact CD1-CG1 3.94Å; L496-V531 HydrophobicContact CD1-CG2 4.49Å; F501-V531 HydrophobicContact CD1-CG2 4.05Å; T503-V531 WeakPolarHBondContact CA-O 3.48Å; T503-V531 HydrophobicContact CG2-CB 4.28Å; L504-V531 PolarHBondContact N-O 2.88Å; L504-V531 VanDerWaalsContact N-O 3.08Å; V531-L533 HydrophobicContact CG1-CD2 3.91Å |
| 532 | F | 93.7 | Very high | 83.3 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115 | 175.4 | -164.3 | -178.4 | 0 | 0 | 0 | 110.6 | T479 L480 V481 L504 I506 F523 L534 L545 | T479-F532 PolarHBondContact O-N 3Å; L480-F532 WeakPolarHBondContact CA-O 3.36Å; L480-F532 HydrophobicContact CD2-CB 3.71Å; L480-F532 HydrophobicContact CD2-CD1 3.94Å; L480-F532 HydrophobicContact CD2-CG 4.22Å; V481-F532 PolarHBondContact N-O 2.92Å; L504-F532 HydrophobicContact CB-CD2 3.53Å; L504-F532 HydrophobicContact CB-CE2 3.67Å; L504-F532 HydrophobicContact CB-CG 4.25Å; I506-F532 HydrophobicContact CD1-CE2 3.97Å; I506-F532 HydrophobicContact CD1-CZ 3.5Å; I506-F532 HydrophobicContact CG1-CE2 3.86Å; I506-F532 HydrophobicContact CG1-CZ 3.94Å; F523-F532 HydrophobicContact CB-CD1 4.04Å; F523-F532 HydrophobicContact CB-CE1 3.9Å; F523-F532 AromaticContact CD1-CD1 3.55Å; F523-F532 HydrophobicContact CD1-CD1 3.55Å; F523-F532 AromaticContact CD1-CE1 3.98Å; F523-F532 HydrophobicContact CD1-CE1 3.98Å; F523-F532 HydrophobicContact CD2-CB 4Å; F523-F532 AromaticContact CD2-CD1 3.88Å; F523-F532 HydrophobicContact CD2-CD1 3.88Å; F523-F532 HydrophobicContact CD2-CG 4.17Å; F523-F532 AromaticContact CE1-CD1 3.89Å; F523-F532 HydrophobicContact CE1-CD1 3.89Å; F523-F532 HydrophobicContact CE2-CB 3.71Å; F523-F532 HydrophobicContact CE2-CD1 4.2Å; F523-F532 HydrophobicContact CE2-CG 4.35Å; F523-F532 AromaticContact CG-CD1 3.53Å; F523-F532 HydrophobicContact CG-CD1 3.53Å; F523-F532 AromaticContact CG-CE1 3.9Å; F523-F532 HydrophobicContact CG-CE1 3.9Å; F523-F532 HydrophobicContact CG-CG 4.27Å; F523-F532 HydrophobicContact CZ-CB 3.98Å; F523-F532 HydrophobicContact CZ-CD1 4.2Å; F532-L534 HydrophobicContact CD1-CD1 4.42Å; F532-L534 HydrophobicContact CD2-CG 4.45Å; F532-L534 HydrophobicContact CE2-CD2 4.44Å; F532-L534 HydrophobicContact CG-CD1 4.48Å; F532-L545 HydrophobicContact CD1-CD2 4.27Å; F532-L545 HydrophobicContact CE1-CD1 4.46Å; F532-L545 HydrophobicContact CE1-CD2 3.81Å |
| 533 | L | 93.4 | Very high | 82.7 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.4 | -178.6 | -55.6 | -176.3 | 0 | 0 | 0 | 110.6 | V481 L489 I492 E493 L496 L504 R505 I506 V531 | V481-L533 HydrophobicContact CB-CD2 3.9Å; V481-L533 HydrophobicContact CG2-CD2 4.25Å; L489-L533 HydrophobicContact CD2-CB 4.3Å; I492-L533 HydrophobicContact CG2-CD1 4.26Å; I492-L533 HydrophobicContact CG2-CD2 3.75Å; E493-L533 HydrophobicContact CB-CD1 3.68Å; E493-L533 HydrophobicContact CG-CD1 4.17Å; L496-L533 HydrophobicContact CD1-CD2 4.26Å; L504-L533 PolarHBondContact O-N 2.59Å; R505-L533 CarbonylContact C-O 3.34Å; R505-L533 VanDerWaalsContact CA-O 3.27Å; R505-L533 WeakPolarHBondContact CA-O 3.37Å; R505-L533 HydrophobicContact CB-CB 4.25Å; R505-L533 HydrophobicContact CG-CB 4.28Å; I506-L533 PolarHBondContact N-O 3.22Å; V531-L533 HydrophobicContact CG1-CD2 3.91Å |
| 534 | L | 91.9 | Very high | 82.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.2 | -174.3 | -72.7 | 160.7 | 0 | 0 | 0 | 110.2 | L480 V481 F482 S483 I506 F532 V538 L545 | L480-L534 HydrophobicContact CB-CD1 4.44Å; L480-L534 HydrophobicContact CD1-CD1 3.91Å; L480-L534 HydrophobicContact CD2-CD1 4.12Å; L480-L534 HydrophobicContact CG-CD1 4.4Å; V481-L534 PolarHBondContact O-N 3Å; F482-L534 WeakPolarHBondContact CA-O 3.37Å; F482-L534 HydrophobicContact CD1-CB 3.57Å; F482-L534 HydrophobicContact CD1-CD1 4.41Å; F482-L534 HydrophobicContact CE1-CB 3.53Å; F482-L534 HydrophobicContact CE1-CD1 3.61Å; F482-L534 HydrophobicContact CE1-CG 4.17Å; F482-L534 HydrophobicContact CZ-CD1 3.85Å; S483-L534 PolarHBondContact N-O 3.48Å; I506-L534 HydrophobicContact CB-CD2 3.96Å; I506-L534 HydrophobicContact CD1-CD2 4.33Å; F532-L534 HydrophobicContact CD1-CD1 4.42Å; F532-L534 HydrophobicContact CD2-CG 4.45Å; F532-L534 HydrophobicContact CE2-CD2 4.44Å; F532-L534 HydrophobicContact CG-CD1 4.48Å; L534-V538 HydrophobicContact CD2-CG1 4.3Å; L534-L545 HydrophobicContact CD1-CD1 3.65Å |
| 535 | T | 90.8 | Very high | 82.3 | Confident | 9 Ų | 9 | 42.2 Ų | 42.2 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 141.1 | 164.4 | 61.3 | 0 | 0 | 0 | 0 | 110.7 | S483 R486 L489 I506 D507 Q537 V538 G539 | S483-T535 CarbonylContact O-C 3.52Å; S483-T535 WeakPolarHBondContact O-CA 3.49Å; R486-T535 HydrophobicContact CG-CG2 4.2Å; L489-T535 HydrophobicContact CD1-CG2 3.56Å; I506-T535 PolarHBondContact O-N 3.32Å; D507-T535 HydrophobicContact CB-CG2 3.71Å; T535-Q537 PolarHBondContact O-N 3.2Å; T535-V538 WeakPolarHBondContact O-CA 3.26Å; T535-V538 WeakPolarHBondContact O-CB 3.27Å; T535-V538 PolarHBondContact O-N 2.95Å; T535-V538 WeakPolarHBondContact OG1-CB 3.33Å; T535-V538 WeakPolarHBondContact OG1-CG2 3.42Å; T535-G539 PolarHBondContact O-N 2.76Å |
| 536 | T | 85.4 | Confident | 82.2 | Confident | 5 Ų | 5 | 35.9 Ų | 35.9 | 3% | 0.031 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -56.8 | -38.4 | -177.8 | -47.8 | 0 | 0 | 0 | 0 | 111.7 | S483 G539 G540 A566 | S483-T536 PolarHBondContact O-N 3.25Å; S483-T536 PolarHBondContact O-OG1 3Å; T536-G539 PolarHBondContact O-N 2.89Å; T536-G540 PolarHBondContact O-N 2.92Å; T536-A566 HydrophobicContact CG2-CB 4.45Å |
| 537 | Q | 78.9 | Confident | 82.1 | Confident | 160 Ų | 160 | 34.3 Ų | 34.3 | 75% | 0.748 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -61.2 | -42.9 | 173.4 | -65.6 | -178.3 | -6.1 | 0 | 0 | 113 | T535 G540 V541 | T535-Q537 PolarHBondContact O-N 3.2Å; Q537-G540 PolarHBondContact O-N 3.3Å; Q537-V541 WeakPolarHBondContact O-CG2 3.32Å |
| 538 | V | 73.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 26.1 Ų | 26.1 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -67.4 | -38.8 | 176.4 | 162.8 | 0 | 0 | 0 | 0 | 111 | I506 R516 L534 T535 G540 V541 | I506-V538 HydrophobicContact CB-CG1 4.24Å; I506-V538 HydrophobicContact CG2-CG1 3.69Å; R516-V538 PolarHBondContact NH2-O 3.45Å; L534-V538 HydrophobicContact CD2-CG1 4.3Å; T535-V538 WeakPolarHBondContact O-CA 3.26Å; T535-V538 WeakPolarHBondContact O-CB 3.27Å; T535-V538 PolarHBondContact O-N 2.95Å; T535-V538 WeakPolarHBondContact OG1-CB 3.33Å; T535-V538 WeakPolarHBondContact OG1-CG2 3.42Å; V538-G540 VanDerWaalsContact C-N 3.28Å; V538-G540 PolarHBondContact O-N 3.1Å; V538-V541 PolarHBondContact O-N 3.04Å; V538-V541 VanDerWaalsContact O-N 3.09Å |
| 539 | G | 61.8 | Low | 82.7 | Confident | 1 Ų | 1 | 22.6 Ų | 22.6 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.6 | -35.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.9 | T535 T536 V541 R569 | T535-G539 PolarHBondContact O-N 2.76Å; T536-G539 PolarHBondContact O-N 2.89Å; G539-V541 PolarHBondContact O-N 3.34Å; G539-V541 VanDerWaalsContact O-N 3.13Å; G539-R569 WeakPolarHBondContact O-CD 3.49Å; G539-R569 VanDerWaalsContact O-CG 3.3Å; G539-R569 WeakPolarHBondContact O-CG 3.43Å; G539-R569 PolarHBondContact O-NE 2.97Å |
| 540 | G | 62.8 | Low | 82.9 | Confident | 14 Ų | 14 | 21 Ų | 21 | 14% | 0.144 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -23.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | T536 Q537 V538 G542 R569 | T536-G540 PolarHBondContact O-N 2.92Å; Q537-G540 PolarHBondContact O-N 3.3Å; V538-G540 VanDerWaalsContact C-N 3.28Å; V538-G540 PolarHBondContact O-N 3.1Å; G540-G542 PolarHBondContact O-N 3.45Å; G540-R569 PolarHBondContact O-NH2 3.39Å |
| 541 | V | 62.6 | Low | 83.2 | Confident | 40 Ų | 40 | 20 Ų | 20 | 24% | 0.242 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -95.1 | 78.5 | -172.4 | -154.7 | 0 | 0 | 0 | 0 | 113.8 | N155 R516 Q537 V538 G539 L543 | N155-V541 HydrophobicContact CB-CG1 3.67Å; R516-V541 PolarHBondContact NH2-O 3.26Å; Q537-V541 WeakPolarHBondContact O-CG2 3.32Å; V538-V541 PolarHBondContact O-N 3.04Å; V538-V541 VanDerWaalsContact O-N 3.09Å; G539-V541 PolarHBondContact O-N 3.34Å; G539-V541 VanDerWaalsContact O-N 3.13Å; V541-L543 VanDerWaalsContact C-N 3.29Å; V541-L543 PolarHBondContact O-N 2.99Å |
| 542 | G | 66.2 | Low | 83.3 | Confident | 16 Ų | 16 | 19.9 Ų | 19.9 | 17% | 0.165 | 12% | 0.116 | C | C | . | . | S | Bend | trans | 78.1 | -15.7 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | G540 R569 R572 | G540-G542 PolarHBondContact O-N 3.45Å; G542-R569 VanDerWaalsContact N-CZ 3.34Å; G542-R572 PolarHBondContact O-NH1 3.18Å |
| 543 | L | 78.5 | Confident | 83.3 | Confident | 22 Ų | 22 | 20 Ų | 20 | 12% | 0.115 | 12% | 0.116 | C | C | . | . | trans | -59.8 | 162.1 | -165.5 | -57.3 | -167.3 | 0 | 0 | 0 | 115.7 | I520 V541 L545 R569 R572 | I520-L543 HydrophobicContact CD1-CD1 3.88Å; I520-L543 HydrophobicContact CD1-CD2 3.56Å; I520-L543 HydrophobicContact CD1-CG 4.31Å; I520-L543 HydrophobicContact CG1-CD1 4.41Å; V541-L543 VanDerWaalsContact C-N 3.29Å; V541-L543 PolarHBondContact O-N 2.99Å; L543-L545 HydrophobicContact CB-CG 4.44Å; L543-L545 HydrophobicContact CD1-CD1 4.36Å; L543-R569 WeakPolarHBondContact O-CD 3.27Å; L543-R572 PolarHBondContact O-NH1 2.88Å | ||
| 544 | T | 84.3 | Confident | 83.3 | Confident | 50 Ų | 50 | 20 Ų | 20 | 31% | 0.307 | 12% | 0.116 | S | C | . | . | trans | -126 | 121.4 | 168.9 | -57.6 | 0 | 0 | 0 | 0 | 107.3 | T546 R572 | T544-T546 HydrophobicContact CG2-CG2 3.99Å; T544-R572 VanDerWaalsContact OG1-CZ 3.24Å; T544-R572 PolarHBondContact OG1-NH1 3.37Å; T544-R572 VanDerWaalsContact OG1-NH1 3.08Å | ||
| 545 | L | 86.6 | Confident | 83.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | trans | -137 | 47.8 | -175.1 | -65.6 | 174.9 | 0 | 0 | 0 | 110.3 | L480 I520 F523 F532 L534 L543 A547 A548 R569 V570 | L480-L545 HydrophobicContact CD1-CB 4.18Å; L480-L545 HydrophobicContact CD1-CD1 3.65Å; L480-L545 HydrophobicContact CD2-CD1 4.22Å; I520-L545 HydrophobicContact CG1-CD2 4.4Å; I520-L545 HydrophobicContact CG2-CD2 4.13Å; F523-L545 HydrophobicContact CD1-CD2 4.27Å; F532-L545 HydrophobicContact CD1-CD2 4.27Å; F532-L545 HydrophobicContact CE1-CD1 4.46Å; F532-L545 HydrophobicContact CE1-CD2 3.81Å; L534-L545 HydrophobicContact CD1-CD1 3.65Å; L543-L545 HydrophobicContact CB-CG 4.44Å; L543-L545 HydrophobicContact CD1-CD1 4.36Å; L545-A547 PolarHBondContact O-N 3.31Å; L545-A547 VanDerWaalsContact O-N 3.14Å; L545-A548 PolarHBondContact O-N 3.23Å; L545-R569 PolarHBondContact N-O 3.45Å; L545-V570 HydrophobicContact CB-CG2 4.45Å | ||
| 546 | T | 86.9 | Confident | 83.1 | Confident | 29 Ų | 29 | 19.8 Ų | 19.8 | 18% | 0.178 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -7.3 | -175 | 46.4 | 0 | 0 | 0 | 0 | 114.6 | T544 R572 Q575 | T544-T546 HydrophobicContact CG2-CG2 3.99Å; T546-R572 HydrophobicContact CG2-CB 4.21Å; T546-Q575 HydrophobicContact CG2-CB 4.31Å; T546-Q575 PolarHBondContact O-NE2 3.04Å; T546-Q575 PolarHBondContact O-OE1 3.14Å |
| 547 | A | 88 | Confident | 83.1 | Confident | 26 Ų | 26 | 20.2 Ų | 20.2 | 22% | 0.215 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -26.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F523 Q524 L545 | F523-A547 HydrophobicContact CE1-CB 4.45Å; Q524-A547 HydrophobicContact CB-CB 4.32Å; Q524-A547 HydrophobicContact CG-CB 4.09Å; L545-A547 PolarHBondContact O-N 3.31Å; L545-A547 VanDerWaalsContact O-N 3.14Å |
| 548 | A | 90.6 | Very high | 83.3 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -71 | 148.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q478 L480 F523 L545 V570 Q575 | Q478-A548 WeakPolarHBondContact O-CA 3.47Å; L480-A548 HydrophobicContact CD1-CB 4.41Å; L480-A548 HydrophobicContact CD2-CB 3.81Å; L480-A548 HydrophobicContact CG-CB 3.71Å; F523-A548 HydrophobicContact CE1-CB 4.11Å; F523-A548 HydrophobicContact CZ-CB 4.2Å; L545-A548 PolarHBondContact O-N 3.23Å; A548-V570 HydrophobicContact CB-CG1 4.09Å; A548-V570 HydrophobicContact CB-CG2 3.98Å; A548-V570 WeakPolarHBondContact O-CG1 3.29Å; A548-Q575 PolarHBondContact O-NE2 3.28Å | ||
| 549 | T | 90.8 | Very high | 83.7 | Confident | 6 Ų | 6 | 15.8 Ų | 15.8 | 4% | 0.037 | 10% | 0.095 | C | C | . | . | trans | -124.1 | -6.2 | 178.5 | 66.2 | 0 | 0 | 0 | 0 | 112.6 | H477 Q478 Q577 V580 | H477-T549 WeakPolarHBondContact CB-OG1 3.49Å; H477-T549 PolarHBondContact ND1-OG1 3.36Å; Q478-T549 PolarHBondContact O-N 3.3Å; T549-Q577 HydrophobicContact CG2-CB 3.91Å; T549-Q577 HydrophobicContact CG2-CG 4.33Å; T549-V580 PolarHBondContact O-N 3.03Å | ||
| 550 | R | 92.5 | Very high | 84.7 | Confident | 24 Ų | 24 | 16.2 Ų | 16.2 | 9% | 0.091 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144.2 | 179.1 | -63.7 | -62.4 | -168 | -80.3 | -6.8 | 110.5 | L472 E475 H477 Q478 T479 L480 V580 Y582 | L472-R550 HydrophobicContact CD1-CB 4.02Å; L472-R550 HydrophobicContact CD1-CG 3.95Å; L472-R550 HydrophobicContact CD2-CG 3.82Å; L472-R550 HydrophobicContact CG-CG 4.45Å; E475-R550 IonicContact OE2-NH2 2.72Å; H477-R550 HydrophobicContact CB-CG 4.04Å; H477-R550 PolarHBondContact CD2-NH2 3.11Å; H477-R550 PolarHBondContact NE2-NH2 2.93Å; Q478-R550 PolarHBondContact O-N 3.3Å; T479-R550 WeakPolarHBondContact CA-O 3.17Å; T479-R550 HydrophobicContact CG2-CB 3.95Å; L480-R550 PolarHBondContact N-O 3.39Å; R550-V580 WeakPolarHBondContact CA-O 3.36Å; R550-Y582 HydrophobicContact CB-CE2 4.29Å; R550-Y582 WeakPolarHBondContact CD-OH 3.39Å; R550-Y582 HydrophobicContact CG-CE2 4.42Å; R550-Y582 PolarHBondContact NE-OH 3.09Å |
| 551 | V | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 123.6 | 178.3 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | F482 I553 V567 V570 V580 V581 Y582 | F482-V551 HydrophobicContact CD2-CG1 3.67Å; F482-V551 HydrophobicContact CE2-CG1 3.69Å; V551-I553 HydrophobicContact CG1-CG1 4.43Å; V551-V567 HydrophobicContact CG1-CG2 4.49Å; V551-V570 HydrophobicContact CG2-CB 4.01Å; V551-V570 HydrophobicContact CG2-CG1 4.34Å; V551-V570 HydrophobicContact CG2-CG2 3.66Å; V551-V580 PolarHBondContact N-O 3.46Å; V551-V581 HydrophobicContact CB-CG1 4.33Å; V551-V581 HydrophobicContact CB-CG2 4.32Å; V551-V581 HydrophobicContact CG1-CG1 4.27Å; V551-V581 CarbonylContact O-C 3.59Å; V551-V581 VanDerWaalsContact O-CA 3.31Å; V551-V581 WeakPolarHBondContact O-CA 3.38Å; V551-Y582 PolarHBondContact O-N 2.79Å |
| 552 | V | 95.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.8 | 170 | -174.3 | 0 | 0 | 0 | 0 | 108.7 | L465 L468 T479 L480 V481 F482 Y582 L584 | L465-V552 HydrophobicContact CD1-CB 4.49Å; L465-V552 HydrophobicContact CD1-CG1 3.93Å; L465-V552 HydrophobicContact CD1-CG2 4.47Å; L468-V552 HydrophobicContact CD2-CG2 3.89Å; T479-V552 HydrophobicContact CG2-CG2 4.05Å; L480-V552 PolarHBondContact O-N 3.46Å; V481-V552 HydrophobicContact CG2-CB 4.39Å; F482-V552 PolarHBondContact N-O 2.98Å; V552-Y582 WeakPolarHBondContact CA-O 3.43Å; V552-Y582 HydrophobicContact CG2-CD2 3.98Å; V552-L584 HydrophobicContact CG1-CD1 4.05Å; V552-L584 HydrophobicContact CG1-CD2 4.3Å; V552-L584 HydrophobicContact CG1-CG 4.06Å |
| 553 | I | 93.9 | Very high | 87.8 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 104.4 | 167.3 | -64.6 | 168.1 | 0 | 0 | 0 | 105.8 | V551 D563 V567 V581 Y582 R583 L584 | V551-I553 HydrophobicContact CG1-CG1 4.43Å; I553-D563 HydrophobicContact CD1-CB 4.25Å; I553-V567 HydrophobicContact CD1-CG2 4.02Å; I553-V581 HydrophobicContact CD1-CG1 4.08Å; I553-Y582 PolarHBondContact N-O 2.76Å; I553-R583 HydrophobicContact CB-CG 4.48Å; I553-R583 HydrophobicContact CD1-CG 4.2Å; I553-L584 PolarHBondContact O-N 3.07Å |
| 554 | F | 93.9 | Very high | 88 | Confident | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -74.1 | -37.7 | -174.4 | -172.8 | -88.9 | 0 | 0 | 0 | 112 | D412 K461 M462 L465 F482 I488 I492 L584 | D412-F554 HydrophobicContact CB-CE1 3.95Å; D412-F554 WeakPolarHBondContact OD1-CE1 3.23Å; K461-F554 HydrophobicContact CB-CE1 4.28Å; K461-F554 HydrophobicContact CB-CE2 3.66Å; K461-F554 HydrophobicContact CB-CZ 3.48Å; K461-F554 VanDerWaalsContact CB-CZ 3.48Å; K461-F554 HydrophobicContact CD-CD1 4.21Å; K461-F554 HydrophobicContact CD-CE1 3.74Å; K461-F554 HydrophobicContact CD-CE2 4.31Å; K461-F554 HydrophobicContact CD-CZ 3.81Å; K461-F554 HydrophobicContact CG-CZ 4.33Å; K461-F554 PolarHBondContact NZ-O 3.18Å; M462-F554 HydrophobicContact CE-CZ 4.42Å; L465-F554 HydrophobicContact CB-CE2 4.38Å; L465-F554 HydrophobicContact CD2-CD2 3.88Å; L465-F554 HydrophobicContact CD2-CE2 3.89Å; F482-F554 WeakPolarHBondContact O-CB 3.33Å; F482-F554 PolarHBondContact O-N 3.02Å; I488-F554 HydrophobicContact CD1-CE1 4.34Å; I488-F554 HydrophobicContact CD1-CZ 4.32Å; I488-F554 HydrophobicContact CG1-CD1 4.29Å; I488-F554 HydrophobicContact CG1-CE1 3.7Å; I488-F554 HydrophobicContact CG1-CZ 3.99Å; I492-F554 HydrophobicContact CD1-CD2 4.37Å; F554-L584 HydrophobicContact CD2-CD1 3.86Å; F554-L584 HydrophobicContact CE2-CD1 4.36Å |
| 555 | D | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.005 | 8% | 0.082 | C | C | . | . | S | Bend | trans | -136.8 | 120 | 178.7 | 72.3 | -83.4 | 0 | 0 | 0 | 110.9 | K408 D412 S483 Q484 | K408-D555 VanDerWaalsContact CE-OD2 3.27Å; K408-D555 WeakPolarHBondContact CE-OD2 3.4Å; K408-D555 IonicContact NZ-OD2 3.74Å; K408-D555 PolarHBondContact NZ-OD2 2.61Å; D412-D555 WeakPolarHBondContact OD1-CB 3.42Å; S483-D555 WeakPolarHBondContact CA-OD1 3.35Å; S483-D555 WeakPolarHBondContact CB-OD1 3.38Å; S483-D555 PolarHBondContact OG-OD1 3.48Å; Q484-D555 WeakPolarHBondContact CB-OD2 3.1Å; Q484-D555 VanDerWaalsContact CG-OD2 3.23Å; Q484-D555 WeakPolarHBondContact CG-OD2 3.33Å; Q484-D555 PolarHBondContact N-OD1 2.94Å; Q484-D555 PolarHBondContact N-OD2 2.94Å; Q484-D555 PolarHBondContact NE2-O 3.34Å; Q484-D555 PolarHBondContact NE2-OD2 3.19Å |
| 556 | P | 87.3 | Confident | 88.2 | Confident | 4 Ų | 4 | 13.8 Ų | 13.8 | 3% | 0.026 | 8% | 0.082 | C | C | . | . | trans | -73.9 | 154.4 | -175.9 | 29 | -34.6 | 0 | 0 | 0 | 112.6 | K408 Q484 | K408-P556 PolarHBondContact NZ-O 3.34Å; Q484-P556 PolarHBondContact NE2-O 2.59Å | ||
| 557 | S | 86.2 | Confident | 88.2 | Confident | 14 Ų | 14 | 12.6 Ų | 12.6 | 10% | 0.098 | 7% | 0.074 | C | C | . | . | trans | -88 | 158.1 | -179.2 | 177.7 | 0 | 0 | 0 | 0 | 113.1 | N559 T562 D563 I594 Q598 | S557-N559 WeakPolarHBondContact CB-O 3.11Å; S557-N559 PolarHBondContact O-N 2.74Å; S557-N559 PolarHBondContact OG-N 2.92Å; S557-N559 PolarHBondContact OG-O 2.72Å; S557-T562 WeakPolarHBondContact CB-OG1 3.47Å; S557-T562 PolarHBondContact OG-OG1 2.78Å; S557-D563 WeakPolarHBondContact CB-OD1 3.31Å; S557-D563 WeakPolarHBondContact CB-OD2 3.44Å; S557-D563 PolarHBondContact N-OD2 2.74Å; S557-I594 WeakPolarHBondContact O-CG2 3.24Å; S557-Q598 WeakPolarHBondContact O-CG 3.43Å; S557-Q598 PolarHBondContact O-NE2 3.06Å | ||
| 558 | W | 82.3 | Confident | 88.2 | Confident | 62 Ų | 62 | 12.6 Ų | 12.6 | 24% | 0.235 | 7% | 0.07 | C | C | . | . | S | Bend | trans | -67.4 | -9.2 | 165.6 | -71.5 | 96 | 0 | 0 | 0 | 113.3 | L404 I594 K601 L627 | L404-W558 HydrophobicContact CB-CZ2 4.28Å; L404-W558 HydrophobicContact CD1-CH2 4.14Å; L404-W558 HydrophobicContact CD1-CZ2 4.31Å; W558-I594 HydrophobicContact CD2-CD1 4.28Å; W558-I594 HydrophobicContact CD2-CG1 4.01Å; W558-I594 HydrophobicContact CD2-CG2 4.48Å; W558-I594 HydrophobicContact CE3-CG1 3.95Å; W558-I594 HydrophobicContact CH2-CD1 4.12Å; W558-I594 HydrophobicContact CH2-CG1 3.62Å; W558-I594 HydrophobicContact CZ2-CD1 3.64Å; W558-I594 HydrophobicContact CZ2-CG1 3.67Å; W558-I594 HydrophobicContact CZ3-CG1 3.76Å; W558-K601 PolarHBondContact O-NZ 3.23Å; W558-L627 HydrophobicContact CH2-CD1 4.33Å; W558-L627 HydrophobicContact CH2-CD2 4.5Å |
| 559 | N | 82.6 | Confident | 87.9 | Confident | 19 Ų | 19 | 12.9 Ų | 12.9 | 10% | 0.102 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -127.3 | 111.2 | -177.9 | 180 | 2.7 | 0 | 0 | 0 | 109.9 | Q261 S557 A561 T562 | Q261-N559 PolarHBondContact O-OD1 2.99Å; Q261-N559 PolarHBondContact OE1-ND2 3.24Å; S557-N559 WeakPolarHBondContact CB-O 3.11Å; S557-N559 PolarHBondContact O-N 2.74Å; S557-N559 PolarHBondContact OG-N 2.92Å; S557-N559 PolarHBondContact OG-O 2.72Å; N559-A561 PolarHBondContact O-N 3.42Å; N559-A561 VanDerWaalsContact O-N 3.11Å; N559-A561 WeakPolarHBondContact OD1-CB 3.31Å; N559-A561 PolarHBondContact OD1-N 3.43Å; N559-A561 VanDerWaalsContact OD1-N 3.13Å; N559-T562 HydrophobicContact CB-CG2 4.42Å; N559-T562 PolarHBondContact O-N 3.31Å; N559-T562 PolarHBondContact O-OG1 2.87Å |
| 560 | P | 83.9 | Confident | 87.7 | Confident | 10 Ų | 10 | 12.6 Ų | 12.6 | 7% | 0.065 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -60.7 | -25.9 | -178.6 | 26.1 | -34.5 | 0 | 0 | 0 | 112.7 | T562 D563 A564 Q598 K601 D602 | P560-T562 VanDerWaalsContact C-N 3.31Å; P560-T562 PolarHBondContact O-N 3.03Å; P560-D563 PolarHBondContact O-N 2.79Å; P560-A564 PolarHBondContact O-N 3.1Å; P560-Q598 HydrophobicContact CB-CB 4.19Å; P560-Q598 HydrophobicContact CB-CG 4.35Å; P560-K601 HydrophobicContact CG-CB 3.96Å; P560-D602 HydrophobicContact CG-CB 4.49Å |
| 561 | A | 82.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 12.7 Ų | 12.7 | 3% | 0.033 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -61.4 | -33.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | T258 Q261 N559 D563 Q565 | T258-A561 HydrophobicContact CG2-CB 3.93Å; Q261-A561 HydrophobicContact CB-CB 4.17Å; Q261-A561 HydrophobicContact CG-CB 3.77Å; N559-A561 PolarHBondContact O-N 3.42Å; N559-A561 VanDerWaalsContact O-N 3.11Å; N559-A561 WeakPolarHBondContact OD1-CB 3.31Å; N559-A561 PolarHBondContact OD1-N 3.43Å; N559-A561 VanDerWaalsContact OD1-N 3.13Å; A561-D563 VanDerWaalsContact C-N 3.31Å; A561-Q565 VanDerWaalsContact O-CB 3.22Å; A561-Q565 WeakPolarHBondContact O-CB 3.39Å; A561-Q565 WeakPolarHBondContact O-CG 3.31Å; A561-Q565 PolarHBondContact O-N 2.95Å |
| 562 | T | 84.7 | Confident | 86.9 | Confident | 36 Ų | 36 | 15.7 Ų | 15.7 | 22% | 0.221 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -71 | -32 | 178 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | S557 N559 P560 Q565 A566 | S557-T562 WeakPolarHBondContact CB-OG1 3.47Å; S557-T562 PolarHBondContact OG-OG1 2.78Å; N559-T562 HydrophobicContact CB-CG2 4.42Å; N559-T562 PolarHBondContact O-N 3.31Å; N559-T562 PolarHBondContact O-OG1 2.87Å; P560-T562 VanDerWaalsContact C-N 3.31Å; P560-T562 PolarHBondContact O-N 3.03Å; T562-Q565 WeakPolarHBondContact O-CB 3.43Å; T562-A566 PolarHBondContact O-N 2.91Å; T562-A566 VanDerWaalsContact O-N 3.13Å |
| 563 | D | 87.6 | Confident | 86.1 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -82.5 | -39.2 | -174.6 | -59.6 | 1.1 | 0 | 0 | 0 | 109.3 | I553 S557 P560 A561 A566 V567 Q598 | I553-D563 HydrophobicContact CD1-CB 4.25Å; S557-D563 WeakPolarHBondContact CB-OD1 3.31Å; S557-D563 WeakPolarHBondContact CB-OD2 3.44Å; S557-D563 PolarHBondContact N-OD2 2.74Å; P560-D563 PolarHBondContact O-N 2.79Å; A561-D563 VanDerWaalsContact C-N 3.31Å; D563-A566 PolarHBondContact O-N 3.34Å; D563-V567 WeakPolarHBondContact O-CG2 3.39Å; D563-V567 PolarHBondContact O-N 2.69Å; D563-Q598 PolarHBondContact OD2-NE2 2.84Å |
| 564 | A | 84.3 | Confident | 85.3 | Confident | 42 Ų | 42 | 19.7 Ų | 19.7 | 35% | 0.347 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -59.4 | -45.7 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P560 A566 V567 D568 | P560-A564 PolarHBondContact O-N 3.1Å; A564-A566 PolarHBondContact O-N 3.28Å; A564-V567 PolarHBondContact O-N 2.75Å; A564-D568 WeakPolarHBondContact O-CB 3.38Å; A564-D568 PolarHBondContact O-N 2.91Å |
| 565 | Q | 86.1 | Confident | 84.7 | Confident | 10 Ų | 10 | 20.3 Ų | 20.3 | 5% | 0.047 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -57.6 | -29.7 | 174.7 | -82.6 | 173.7 | 18.1 | 0 | 0 | 113.4 | M124 A561 T562 R569 | M124-Q565 HydrophobicContact CE-CG 3.99Å; M124-Q565 HydrophobicContact SD-CB 4.35Å; M124-Q565 HydrophobicContact SD-CG 3.52Å; M124-Q565 VanDerWaalsContact SD-CG 3.52Å; A561-Q565 VanDerWaalsContact O-CB 3.22Å; A561-Q565 WeakPolarHBondContact O-CB 3.39Å; A561-Q565 WeakPolarHBondContact O-CG 3.31Å; A561-Q565 PolarHBondContact O-N 2.95Å; T562-Q565 WeakPolarHBondContact O-CB 3.43Å; Q565-R569 WeakPolarHBondContact O-CG 3.43Å; Q565-R569 PolarHBondContact O-NE 3.2Å |
| 566 | A | 87.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -79 | -44.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F482 T536 T562 D563 A564 D568 R569 | F482-A566 HydrophobicContact CD1-CB 4.17Å; F482-A566 HydrophobicContact CD2-CB 4.1Å; F482-A566 HydrophobicContact CE1-CB 4.03Å; F482-A566 HydrophobicContact CE2-CB 3.96Å; F482-A566 HydrophobicContact CG-CB 4.2Å; F482-A566 HydrophobicContact CZ-CB 3.92Å; T536-A566 HydrophobicContact CG2-CB 4.45Å; T562-A566 PolarHBondContact O-N 2.91Å; T562-A566 VanDerWaalsContact O-N 3.13Å; D563-A566 PolarHBondContact O-N 3.34Å; A564-A566 PolarHBondContact O-N 3.28Å; A566-D568 VanDerWaalsContact C-N 3.32Å; A566-D568 PolarHBondContact O-N 2.97Å; A566-R569 WeakPolarHBondContact O-CB 3.46Å; A566-R569 WeakPolarHBondContact O-CG 3.19Å; A566-R569 PolarHBondContact O-N 3.01Å |
| 567 | V | 88.5 | Confident | 84.1 | Confident | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.5 | -41.9 | 174.8 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | K364 V551 I553 D563 A564 R569 V570 Y571 V581 | K364-V567 HydrophobicContact CD-CG1 4.3Å; V551-V567 HydrophobicContact CG1-CG2 4.49Å; I553-V567 HydrophobicContact CD1-CG2 4.02Å; D563-V567 WeakPolarHBondContact O-CG2 3.39Å; D563-V567 PolarHBondContact O-N 2.69Å; A564-V567 PolarHBondContact O-N 2.75Å; V567-R569 PolarHBondContact O-N 2.98Å; V567-V570 PolarHBondContact O-N 2.96Å; V567-Y571 PolarHBondContact O-N 3.29Å; V567-V581 HydrophobicContact CB-CG2 4.45Å; V567-V581 HydrophobicContact CG1-CG2 3.7Å; V567-V581 HydrophobicContact CG2-CB 4.49Å; V567-V581 HydrophobicContact CG2-CG1 3.78Å; V567-V581 HydrophobicContact CG2-CG2 3.86Å |
| 568 | D | 86.4 | Confident | 84.2 | Confident | 25 Ų | 25 | 36.2 Ų | 36.2 | 13% | 0.134 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -2.2 | -180 | -85 | -0.4 | 0 | 0 | 0 | 114.6 | M124 K330 A564 A566 | M124-D568 HydrophobicContact CB-CB 4.03Å; M124-D568 WeakPolarHBondContact CB-OD2 3.37Å; K330-D568 IonicContact NZ-OD1 3.61Å; K330-D568 PolarHBondContact NZ-OD1 3.17Å; K330-D568 IonicContact NZ-OD2 3.16Å; K330-D568 PolarHBondContact NZ-OD2 2.7Å; A564-D568 WeakPolarHBondContact O-CB 3.38Å; A564-D568 PolarHBondContact O-N 2.91Å; A566-D568 VanDerWaalsContact C-N 3.32Å; A566-D568 PolarHBondContact O-N 2.97Å |
| 569 | R | 84.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -26.7 | 166.4 | -52.4 | -57 | 167.2 | -155.5 | -3.8 | 112.4 | M124 G539 G540 G542 L543 L545 Q565 A566 V567 | M124-R569 VanDerWaalsContact CE-NH2 3.31Å; G539-R569 WeakPolarHBondContact O-CD 3.49Å; G539-R569 VanDerWaalsContact O-CG 3.3Å; G539-R569 WeakPolarHBondContact O-CG 3.43Å; G539-R569 PolarHBondContact O-NE 2.97Å; G540-R569 PolarHBondContact O-NH2 3.39Å; G542-R569 VanDerWaalsContact N-CZ 3.34Å; L543-R569 WeakPolarHBondContact O-CD 3.27Å; L545-R569 PolarHBondContact N-O 3.45Å; Q565-R569 WeakPolarHBondContact O-CG 3.43Å; Q565-R569 PolarHBondContact O-NE 3.2Å; A566-R569 WeakPolarHBondContact O-CB 3.46Å; A566-R569 WeakPolarHBondContact O-CG 3.19Å; A566-R569 PolarHBondContact O-N 3.01Å; V567-R569 PolarHBondContact O-N 2.98Å |
| 570 | V | 87.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -42.4 | 176.7 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | L480 L545 A548 V551 V567 R572 Q575 V579 | L480-V570 HydrophobicContact CD1-CG2 3.25Å; L480-V570 HydrophobicContact CG-CG2 3.93Å; L545-V570 HydrophobicContact CB-CG2 4.45Å; A548-V570 HydrophobicContact CB-CG1 4.09Å; A548-V570 HydrophobicContact CB-CG2 3.98Å; A548-V570 WeakPolarHBondContact O-CG1 3.29Å; V551-V570 HydrophobicContact CG2-CB 4.01Å; V551-V570 HydrophobicContact CG2-CG1 4.34Å; V551-V570 HydrophobicContact CG2-CG2 3.66Å; V567-V570 PolarHBondContact O-N 2.96Å; V570-R572 VanDerWaalsContact C-N 3.26Å; V570-R572 PolarHBondContact O-N 2.85Å; V570-Q575 PolarHBondContact O-NE2 3.34Å; V570-V579 HydrophobicContact CG1-CG1 3.94Å; V570-V579 HydrophobicContact CG1-CG2 4.05Å |
| 571 | Y | 86.6 | Confident | 85.4 | Confident | 25 Ų | 25 | 32.1 Ų | 32.1 | 10% | 0.098 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -84 | 67.1 | 179.2 | -171 | -125.6 | 0 | 0 | 0 | 111.9 | K330 L361 S362 K364 V567 V579 | K330-Y571 HydrophobicContact CB-CE1 4.49Å; K330-Y571 HydrophobicContact CD-CD1 3.8Å; K330-Y571 HydrophobicContact CD-CE1 3.5Å; K330-Y571 PolarHBondContact NZ-O 3.03Å; L361-Y571 HydrophobicContact CB-CE2 3.92Å; L361-Y571 HydrophobicContact CD1-CE2 4.29Å; S362-Y571 WeakPolarHBondContact O-CE2 3.39Å; K364-Y571 HydrophobicContact CB-CD1 4.35Å; K364-Y571 HydrophobicContact CB-CD2 4.2Å; K364-Y571 HydrophobicContact CB-CE1 4.18Å; K364-Y571 HydrophobicContact CB-CE2 4.07Å; K364-Y571 HydrophobicContact CB-CG 4.37Å; K364-Y571 HydrophobicContact CD-CD1 4.12Å; K364-Y571 HydrophobicContact CD-CE1 4.46Å; K364-Y571 HydrophobicContact CD-CG 4.49Å; K364-Y571 HydrophobicContact CG-CD1 4.38Å; K364-Y571 HydrophobicContact CG-CG 4.35Å; V567-Y571 PolarHBondContact O-N 3.29Å; Y571-V579 HydrophobicContact CD2-CG2 4.47Å |
| 572 | R | 81.9 | Confident | 85.9 | Confident | 63 Ų | 63 | 31.9 Ų | 31.9 | 24% | 0.238 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -130.3 | 156 | -172.9 | -167.3 | 163.7 | 177.4 | 171.1 | -0.2 | 111.1 | G542 L543 T544 T546 V570 G574 Q575 | G542-R572 PolarHBondContact O-NH1 3.18Å; L543-R572 PolarHBondContact O-NH1 2.88Å; T544-R572 VanDerWaalsContact OG1-CZ 3.24Å; T544-R572 PolarHBondContact OG1-NH1 3.37Å; T544-R572 VanDerWaalsContact OG1-NH1 3.08Å; T546-R572 HydrophobicContact CG2-CB 4.21Å; V570-R572 VanDerWaalsContact C-N 3.26Å; V570-R572 PolarHBondContact O-N 2.85Å; R572-G574 PolarHBondContact O-N 3.26Å; R572-Q575 VanDerWaalsContact O-CB 3.29Å; R572-Q575 WeakPolarHBondContact O-CB 3.46Å; R572-Q575 PolarHBondContact O-N 3.38Å |
| 573 | I | 78.1 | Confident | 86.3 | Confident | 44 Ų | 44 | 30.8 Ų | 30.8 | 23% | 0.226 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 127.6 | 173.9 | -61.9 | -178.8 | 0 | 0 | 0 | 109.2 | F97 G125 M358 P359 L361 | F97-I573 HydrophobicContact CD2-CD1 4.44Å; F97-I573 HydrophobicContact CE2-CD1 3.98Å; F97-I573 HydrophobicContact CE2-CG2 4.48Å; G125-I573 VanDerWaalsContact O-CD1 3.28Å; G125-I573 WeakPolarHBondContact O-CD1 3.46Å; G125-I573 WeakPolarHBondContact O-CG1 3.3Å; M358-I573 HydrophobicContact CG-CD1 4.34Å; M358-I573 HydrophobicContact SD-CD1 4.18Å; P359-I573 HydrophobicContact CG-CG2 3.93Å; L361-I573 HydrophobicContact CD2-CG1 4.17Å |
| 574 | G | 77 | Confident | 86.6 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 44% | 0.443 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 107.2 | -15.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | R572 | R572-G574 PolarHBondContact O-N 3.26Š|
| 575 | Q | 82.5 | Confident | 86.9 | Confident | 13 Ų | 13 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | trans | -64.2 | 140.3 | 167.2 | 178.5 | 57.2 | -93.3 | 0 | 0 | 110.8 | S362 T546 A548 V570 R572 Q577 V579 | S362-Q575 WeakPolarHBondContact OG-CG 3.31Å; T546-Q575 HydrophobicContact CG2-CB 4.31Å; T546-Q575 PolarHBondContact O-NE2 3.04Å; T546-Q575 PolarHBondContact O-OE1 3.14Å; A548-Q575 PolarHBondContact O-NE2 3.28Å; V570-Q575 PolarHBondContact O-NE2 3.34Å; R572-Q575 VanDerWaalsContact O-CB 3.29Å; R572-Q575 WeakPolarHBondContact O-CB 3.46Å; R572-Q575 PolarHBondContact O-N 3.38Å; Q575-Q577 WeakPolarHBondContact CG-O 3.45Å; Q575-Q577 PolarHBondContact OE1-O 3.14Å; Q575-V579 HydrophobicContact CG-CG2 3.79Å | ||
| 576 | K | 81.6 | Confident | 87.1 | Confident | 191 Ų | 191 | 28.3 Ų | 28.3 | 83% | 0.83 | 14% | 0.141 | S | C | * | . | trans | -123.2 | -13.9 | -177.1 | -63.2 | -174.2 | 180 | -176.5 | 0 | 114.7 | ||||
| 577 | Q | 84.1 | Confident | 87.2 | Confident | 101 Ų | 101 | 28.3 Ų | 28.3 | 47% | 0.472 | 14% | 0.141 | S | C | . | . | S | Bend | trans | -118.9 | 152.4 | -178.8 | -61.2 | -168.5 | 28 | 0 | 0 | 111.7 | S362 T549 Q575 V579 | S362-Q577 WeakPolarHBondContact CB-O 2.91Å; S362-Q577 PolarHBondContact OG-O 2.79Å; T549-Q577 HydrophobicContact CG2-CB 3.91Å; T549-Q577 HydrophobicContact CG2-CG 4.33Å; Q575-Q577 WeakPolarHBondContact CG-O 3.45Å; Q575-Q577 PolarHBondContact OE1-O 3.14Å; Q577-V579 PolarHBondContact O-N 2.7Å |
| 578 | N | 86.8 | Confident | 86.8 | Confident | 61 Ų | 61 | 28.2 Ų | 28.2 | 33% | 0.326 | 14% | 0.14 | S | C | . | . | trans | -58.7 | 131.2 | 177.7 | -69.3 | -4.3 | 0 | 0 | 0 | 110.4 | R363 D653 | R363-N578 HydrophobicContact CB-CB 4.35Å; R363-N578 WeakPolarHBondContact CB-OD1 3.45Å; R363-N578 PolarHBondContact N-OD1 3.11Å; R363-N578 CarbonylContact O-C 3.33Å; R363-N578 VanDerWaalsContact O-CA 3.3Å; R363-N578 WeakPolarHBondContact O-CA 3.11Å; N578-D653 PolarHBondContact ND2-OD2 3.29Å | ||
| 579 | V | 89.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.8 | -175.9 | -177.9 | 0 | 0 | 0 | 0 | 108.9 | R363 K364 N365 V570 Y571 Q575 Q577 | R363-V579 PolarHBondContact O-N 2.83Å; K364-V579 CarbonylContact C-O 3.51Å; K364-V579 WeakPolarHBondContact CA-O 3.4Å; N365-V579 PolarHBondContact N-O 2.92Å; V570-V579 HydrophobicContact CG1-CG1 3.94Å; V570-V579 HydrophobicContact CG1-CG2 4.05Å; Y571-V579 HydrophobicContact CD2-CG2 4.47Å; Q575-V579 HydrophobicContact CG-CG2 3.79Å; Q577-V579 PolarHBondContact O-N 2.7Å |
| 580 | V | 91.4 | Very high | 86.7 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.024 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 126.9 | 171.4 | -170.5 | 0 | 0 | 0 | 0 | 109.2 | N365 L367 T549 R550 V551 Y582 L656 | N365-V580 WeakPolarHBondContact O-CA 3.42Å; L367-V580 HydrophobicContact CD1-CG1 3.76Å; L367-V580 HydrophobicContact CG-CG1 4.22Å; T549-V580 PolarHBondContact O-N 3.03Å; R550-V580 WeakPolarHBondContact CA-O 3.36Å; V551-V580 PolarHBondContact N-O 3.46Å; V580-Y582 HydrophobicContact CB-CE2 4.42Å; V580-Y582 HydrophobicContact CG1-CD1 4.25Å; V580-Y582 HydrophobicContact CG1-CE1 3.71Å; V580-Y582 HydrophobicContact CG1-CE2 4.21Å; V580-L656 HydrophobicContact CG2-CD1 3.89Å |
| 581 | V | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 135.7 | 171.4 | -171.8 | 0 | 0 | 0 | 0 | 108.2 | N365 L367 V551 I553 V567 R583 | N365-V581 PolarHBondContact O-N 3.2Å; L367-V581 WeakPolarHBondContact CB-O 3.43Å; L367-V581 PolarHBondContact N-O 3.5Å; V551-V581 HydrophobicContact CB-CG1 4.33Å; V551-V581 HydrophobicContact CB-CG2 4.32Å; V551-V581 HydrophobicContact CG1-CG1 4.27Å; V551-V581 CarbonylContact O-C 3.59Å; V551-V581 VanDerWaalsContact O-CA 3.31Å; V551-V581 WeakPolarHBondContact O-CA 3.38Å; I553-V581 HydrophobicContact CD1-CG1 4.08Å; V567-V581 HydrophobicContact CB-CG2 4.45Å; V567-V581 HydrophobicContact CG1-CG2 3.7Å; V567-V581 HydrophobicContact CG2-CB 4.49Å; V567-V581 HydrophobicContact CG2-CG1 3.78Å; V567-V581 HydrophobicContact CG2-CG2 3.86Å; V581-R583 HydrophobicContact CG1-CG 4.4Å |
| 582 | Y | 93.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 118.3 | 172.3 | -46.3 | -87.9 | 0 | 0 | 0 | 108.5 | L367 I369 L468 L472 R550 V551 V552 I553 V580 H659 L663 | L367-Y582 HydrophobicContact CD1-CD1 4.39Å; L367-Y582 HydrophobicContact CD1-CE1 4.29Å; L367-Y582 CarbonylContact O-C 3.58Å; L367-Y582 WeakPolarHBondContact O-CA 3.4Å; I369-Y582 HydrophobicContact CD1-CD1 4.4Å; I369-Y582 HydrophobicContact CG1-CD1 4.47Å; L468-Y582 HydrophobicContact CD1-CE1 4.35Å; L468-Y582 HydrophobicContact CD1-CE2 4.37Å; L468-Y582 HydrophobicContact CD2-CD2 4.07Å; L468-Y582 HydrophobicContact CD2-CE2 4.35Å; L468-Y582 HydrophobicContact CD2-CG 4.15Å; L472-Y582 HydrophobicContact CD1-CE2 3.99Å; R550-Y582 HydrophobicContact CB-CE2 4.29Å; R550-Y582 WeakPolarHBondContact CD-OH 3.39Å; R550-Y582 HydrophobicContact CG-CE2 4.42Å; R550-Y582 PolarHBondContact NE-OH 3.09Å; V551-Y582 PolarHBondContact O-N 2.79Å; V552-Y582 WeakPolarHBondContact CA-O 3.43Å; V552-Y582 HydrophobicContact CG2-CD2 3.98Å; I553-Y582 PolarHBondContact N-O 2.76Å; V580-Y582 HydrophobicContact CB-CE2 4.42Å; V580-Y582 HydrophobicContact CG1-CD1 4.25Å; V580-Y582 HydrophobicContact CG1-CE1 3.71Å; V580-Y582 HydrophobicContact CG1-CE2 4.21Å; Y582-H659 AromaticContact CE1-NE2 3.71Å; Y582-H659 AromaticContact CZ-NE2 3.62Å; Y582-H659 PolarHBondContact OH-CE1 3.25Å; Y582-H659 PolarHBondContact OH-NE2 2.78Å; Y582-L663 HydrophobicContact CD1-CD1 4.25Å; Y582-L663 HydrophobicContact CE1-CD1 3.93Å |
| 583 | R | 93.4 | Very high | 86.8 | Confident | 12 Ų | 12 | 22.9 Ų | 22.9 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 115.7 | 173.7 | -60.7 | 179.1 | -169.9 | -102.5 | -2.8 | 108.3 | D366 L367 I369 I553 V581 | D366-R583 IonicContact OD1-CZ 3.12Å; D366-R583 IonicContact OD1-NE 2.67Å; D366-R583 PolarHBondContact OD1-NE 3.25Å; D366-R583 IonicContact OD1-NH2 2.66Å; D366-R583 PolarHBondContact OD1-NH2 3.39Å; D366-R583 IonicContact OD2-CZ 2.76Å; D366-R583 IonicContact OD2-NE 3.26Å; D366-R583 IonicContact OD2-NH2 3.93Å; D366-R583 PolarHBondContact OD2-NH2 3.3Å; L367-R583 PolarHBondContact O-N 3.37Å; I369-R583 PolarHBondContact N-O 3.43Å; I553-R583 HydrophobicContact CB-CG 4.48Å; I553-R583 HydrophobicContact CD1-CG 4.2Å; V581-R583 HydrophobicContact CG1-CG 4.4Å |
| 584 | L | 93.6 | Very high | 87 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 125.4 | 179.5 | -47.8 | -168.5 | 0 | 0 | 0 | 108.9 | I369 I371 F464 V552 I553 F554 | I369-L584 HydrophobicContact CB-CD2 4.08Å; I369-L584 HydrophobicContact CG1-CD2 4.21Å; I371-L584 HydrophobicContact CD1-CB 3.99Å; I371-L584 HydrophobicContact CD1-CD1 4.23Å; I371-L584 HydrophobicContact CD1-CD2 4.19Å; I371-L584 HydrophobicContact CD1-CG 4.35Å; F464-L584 HydrophobicContact CD1-CD1 4.37Å; F464-L584 HydrophobicContact CD1-CD2 3.82Å; F464-L584 HydrophobicContact CE1-CD2 3.61Å; V552-L584 HydrophobicContact CG1-CD1 4.05Å; V552-L584 HydrophobicContact CG1-CD2 4.3Å; V552-L584 HydrophobicContact CG1-CG 4.06Å; I553-L584 PolarHBondContact O-N 3.07Å; F554-L584 HydrophobicContact CD2-CD1 3.86Å; F554-L584 HydrophobicContact CE2-CD1 4.36Å |
| 585 | I | 92.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 128.3 | -178.8 | -52.6 | -174.3 | 0 | 0 | 0 | 109.4 | I368 I369 W370 I371 E591 E592 Y595 | I368-I585 HydrophobicContact CG2-CD1 3.66Å; I368-I585 HydrophobicContact CG2-CG1 4.21Å; I369-I585 PolarHBondContact O-N 3.46Å; W370-I585 HydrophobicContact CE3-CB 4.31Å; W370-I585 HydrophobicContact CE3-CG2 4.16Å; W370-I585 HydrophobicContact CZ3-CB 4.35Å; W370-I585 HydrophobicContact CZ3-CG2 3.81Å; I371-I585 PolarHBondContact N-O 3.02Å; I585-E591 HydrophobicContact CG2-CB 4.11Å; I585-E592 HydrophobicContact CG2-CB 4.37Å; I585-Y595 HydrophobicContact CD1-CD1 3.98Å; I585-Y595 HydrophobicContact CD1-CD2 3.69Å; I585-Y595 HydrophobicContact CD1-CE2 4.34Å; I585-Y595 HydrophobicContact CD1-CG 3.5Å |
| 586 | T | 90.3 | Very high | 87.3 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.006 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 126.5 | 177.1 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | I371 L373 C411 K461 T589 E591 | I371-T586 HydrophobicContact CG2-CG2 4.48Å; I371-T586 CarbonylContact O-C 3.57Å; I371-T586 VanDerWaalsContact O-CA 3.27Å; I371-T586 WeakPolarHBondContact O-CA 3.43Å; L373-T586 HydrophobicContact CD2-CG2 3.75Å; C411-T586 HydrophobicContact CB-CG2 4.29Å; C411-T586 WeakPolarHBondContact CB-OG1 3.39Å; C411-T586 PolarHBondContact SG-OG1 3.1Å; C411-T586 VanDerWaalsContact SG-OG1 3.39Å; K461-T586 HydrophobicContact CG-CG2 4.21Å; T586-T589 PolarHBondContact O-N 3.32Å; T586-T589 PolarHBondContact O-OG1 3.1Å; T586-T589 WeakPolarHBondContact OG1-CG2 3.47Å; T586-T589 PolarHBondContact OG1-OG1 3.29Å; T586-E591 PolarHBondContact N-OE2 2.83Å; T586-E591 PolarHBondContact OG1-OE2 3.03Å |
| 587 | C | 88.1 | Confident | 87.2 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | 136.8 | -175.9 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | I371 T589 A669 | I371-C587 PolarHBondContact O-N 2.88Å; I371-C587 PolarHBondContact O-SG 3.37Å; C587-T589 WeakPolarHBondContact O-CG2 3.39Å; C587-T589 PolarHBondContact O-N 3.18Å; C587-A669 VanDerWaalsContact SG-CB 3.56Å |
| 588 | G | 80.4 | Confident | 87.1 | Confident | 1 Ų | 1 | 8.6 Ų | 8.6 | 1% | 0.01 | 4% | 0.038 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.7 | 2 | 176 | 0 | 0 | 0 | 0 | 0 | 115.4 | E592 D632 | G588-E592 PolarHBondContact N-OE2 3.05Å; G588-D632 WeakPolarHBondContact CA-O 3.39Å |
| 589 | T | 86.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -93.8 | 175.2 | -175.6 | 71.4 | 0 | 0 | 0 | 0 | 113.6 | L373 Y381 T586 C587 E591 E592 K593 L633 | L373-T589 HydrophobicContact CD1-CG2 3.8Å; L373-T589 HydrophobicContact CD2-CG2 4.26Å; L373-T589 HydrophobicContact CG-CG2 4.08Å; Y381-T589 HydrophobicContact CE2-CG2 4.06Å; Y381-T589 WeakPolarHBondContact OH-CA 3.43Å; T586-T589 PolarHBondContact O-N 3.32Å; T586-T589 PolarHBondContact O-OG1 3.1Å; T586-T589 WeakPolarHBondContact OG1-CG2 3.47Å; T586-T589 PolarHBondContact OG1-OG1 3.29Å; C587-T589 WeakPolarHBondContact O-CG2 3.39Å; C587-T589 PolarHBondContact O-N 3.18Å; T589-E591 PolarHBondContact O-N 2.92Å; T589-E591 PolarHBondContact OG1-N 2.84Å; T589-E591 VanDerWaalsContact OG1-N 3.14Å; T589-E592 PolarHBondContact O-N 3.28Å; T589-K593 PolarHBondContact O-N 2.89Å; T589-L633 HydrophobicContact CG2-CD2 4.18Å |
| 590 | V | 84.3 | Confident | 86 | Confident | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -51.7 | -32.2 | 166.7 | -179.9 | 0 | 0 | 0 | 0 | 112.6 | Y381 L404 L407 K593 I594 | Y381-V590 PolarHBondContact OH-N 3.46Å; Y381-V590 VanDerWaalsContact OH-N 3.11Å; L404-V590 HydrophobicContact CD2-CG1 3.74Å; L404-V590 HydrophobicContact CD2-CG2 4.16Å; L407-V590 HydrophobicContact CB-CB 4.45Å; L407-V590 HydrophobicContact CB-CG2 3.81Å; L407-V590 HydrophobicContact CD1-CG2 3.62Å; L407-V590 HydrophobicContact CG-CG2 4.32Å; V590-K593 PolarHBondContact O-N 2.82Å; V590-I594 HydrophobicContact CG1-CD1 3.91Å; V590-I594 HydrophobicContact CG1-CG1 4.17Å; V590-I594 WeakPolarHBondContact O-CG1 3.47Å; V590-I594 PolarHBondContact O-N 3.31Å |
| 591 | E | 87.4 | Confident | 85.3 | Confident | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -65.1 | -40.2 | 179 | -63.4 | -153.4 | 132.8 | 0 | 0 | 113.1 | C411 K461 I585 T586 T589 K593 I594 Y595 | C411-E591 HydrophobicContact CB-CG 3.97Å; K461-E591 WeakPolarHBondContact CE-OE2 3.34Å; K461-E591 IonicContact NZ-OE1 2.76Å; K461-E591 PolarHBondContact NZ-OE1 3.41Å; K461-E591 IonicContact NZ-OE2 3.46Å; K461-E591 PolarHBondContact NZ-OE2 3Å; I585-E591 HydrophobicContact CG2-CB 4.11Å; T586-E591 PolarHBondContact N-OE2 2.83Å; T586-E591 PolarHBondContact OG1-OE2 3.03Å; T589-E591 PolarHBondContact O-N 2.92Å; T589-E591 PolarHBondContact OG1-N 2.84Å; T589-E591 VanDerWaalsContact OG1-N 3.14Å; E591-K593 VanDerWaalsContact C-N 3.26Å; E591-K593 PolarHBondContact O-N 2.82Å; E591-I594 PolarHBondContact O-N 2.85Å; E591-Y595 PolarHBondContact O-N 2.78Å |
| 592 | E | 86.7 | Confident | 84.6 | Confident | 1 Ų | 1 | 10.7 Ų | 10.7 | 1% | 0.005 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 173.9 | 178 | 166.7 | 163.8 | 0 | 0 | 109.9 | W370 I585 G588 T589 Y595 R596 S636 T638 | W370-E592 HydrophobicContact CH2-CG 4.13Å; W370-E592 HydrophobicContact CZ3-CB 4.19Å; W370-E592 HydrophobicContact CZ3-CG 3.79Å; I585-E592 HydrophobicContact CG2-CB 4.37Å; G588-E592 PolarHBondContact N-OE2 3.05Å; T589-E592 PolarHBondContact O-N 3.28Å; E592-Y595 CarbonylContact O-C 3.53Å; E592-Y595 WeakPolarHBondContact O-CB 3.19Å; E592-Y595 PolarHBondContact O-N 3.37Å; E592-Y595 VanDerWaalsContact O-N 3.16Å; E592-R596 WeakPolarHBondContact O-CG 3.48Å; E592-R596 PolarHBondContact O-N 3.07Å; E592-R596 IonicContact OE1-CZ 3.41Å; E592-R596 IonicContact OE1-NE 3.8Å; E592-R596 IonicContact OE1-NH2 2.72Å; E592-R596 PolarHBondContact OE1-NH2 2.72Å; E592-S636 PolarHBondContact OE1-OG 2.9Å; E592-S636 VanDerWaalsContact OE2-CB 3.25Å; E592-S636 WeakPolarHBondContact OE2-CB 3.34Å; E592-S636 PolarHBondContact OE2-OG 3.28Å; E592-T638 WeakPolarHBondContact OE1-CB 3.14Å; E592-T638 PolarHBondContact OE1-N 3.12Å; E592-T638 PolarHBondContact OE1-OG1 2.81Å |
| 593 | K | 82.2 | Confident | 83.6 | Confident | 7 Ų | 7 | 11.2 Ų | 11.2 | 3% | 0.03 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -72.3 | -31.9 | 179.1 | -59 | -179.6 | -174.1 | 178.8 | 0 | 113.5 | T589 V590 E591 Y595 R597 E626 L627 T629 E631 | T589-K593 PolarHBondContact O-N 2.89Å; V590-K593 PolarHBondContact O-N 2.82Å; E591-K593 VanDerWaalsContact C-N 3.26Å; E591-K593 PolarHBondContact O-N 2.82Å; K593-Y595 VanDerWaalsContact C-N 3.32Å; K593-R597 WeakPolarHBondContact O-CG 3.44Å; K593-R597 PolarHBondContact O-N 2.9Å; K593-E626 PolarHBondContact NZ-O 3.07Å; K593-L627 HydrophobicContact CB-CD2 4.06Å; K593-L627 WeakPolarHBondContact CD-O 3.27Å; K593-L627 PolarHBondContact NZ-O 3.46Å; K593-L627 VanDerWaalsContact NZ-O 3.11Å; K593-T629 PolarHBondContact NZ-O 3.11Å; K593-T629 PolarHBondContact NZ-OG1 2.88Å; K593-E631 WeakPolarHBondContact CE-OE1 3.5Å; K593-E631 IonicContact NZ-OE1 2.62Å |
| 594 | I | 83.3 | Confident | 82.6 | Confident | 1 Ų | 1 | 11.1 Ų | 11.1 | 1% | 0.005 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -61 | -44.6 | 167.3 | -71.1 | 167.7 | 0 | 0 | 0 | 109.3 | S557 W558 V590 E591 R597 Q598 | S557-I594 WeakPolarHBondContact O-CG2 3.24Å; W558-I594 HydrophobicContact CD2-CD1 4.28Å; W558-I594 HydrophobicContact CD2-CG1 4.01Å; W558-I594 HydrophobicContact CD2-CG2 4.48Å; W558-I594 HydrophobicContact CE3-CG1 3.95Å; W558-I594 HydrophobicContact CH2-CD1 4.12Å; W558-I594 HydrophobicContact CH2-CG1 3.62Å; W558-I594 HydrophobicContact CZ2-CD1 3.64Å; W558-I594 HydrophobicContact CZ2-CG1 3.67Å; W558-I594 HydrophobicContact CZ3-CG1 3.76Å; V590-I594 HydrophobicContact CG1-CD1 3.91Å; V590-I594 HydrophobicContact CG1-CG1 4.17Å; V590-I594 WeakPolarHBondContact O-CG1 3.47Å; V590-I594 PolarHBondContact O-N 3.31Å; E591-I594 PolarHBondContact O-N 2.85Å; I594-R597 CarbonylContact O-C 3.55Å; I594-R597 WeakPolarHBondContact O-CB 3.18Å; I594-R597 PolarHBondContact O-N 2.73Å; I594-Q598 PolarHBondContact O-N 2.72Å |
| 595 | Y | 85.3 | Confident | 81.7 | Confident | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.008 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -67.1 | -41.3 | 177.7 | 179.2 | -103.7 | 0 | 0 | 0 | 112.9 | I368 W370 I585 E591 E592 K593 R597 Q598 V599 H674 | I368-Y595 HydrophobicContact CD1-CE1 4.16Å; I368-Y595 HydrophobicContact CD1-CE2 4.49Å; I368-Y595 WeakPolarHBondContact CD1-OH 3.26Å; W370-Y595 HydrophobicContact CH2-CD1 4.29Å; I585-Y595 HydrophobicContact CD1-CD1 3.98Å; I585-Y595 HydrophobicContact CD1-CD2 3.69Å; I585-Y595 HydrophobicContact CD1-CE2 4.34Å; I585-Y595 HydrophobicContact CD1-CG 3.5Å; E591-Y595 PolarHBondContact O-N 2.78Å; E592-Y595 CarbonylContact O-C 3.53Å; E592-Y595 WeakPolarHBondContact O-CB 3.19Å; E592-Y595 PolarHBondContact O-N 3.37Å; E592-Y595 VanDerWaalsContact O-N 3.16Å; K593-Y595 VanDerWaalsContact C-N 3.32Å; Y595-R597 PolarHBondContact O-N 2.63Å; Y595-Q598 WeakPolarHBondContact O-CB 3.38Å; Y595-Q598 PolarHBondContact O-N 3.37Å; Y595-V599 HydrophobicContact CD1-CG2 4.38Å; Y595-V599 HydrophobicContact CD2-CG2 4.5Å; Y595-V599 HydrophobicContact CE1-CG2 3.78Å; Y595-V599 HydrophobicContact CE2-CG2 3.91Å; Y595-V599 VanDerWaalsContact CZ-CG2 3.48Å; Y595-V599 PolarHBondContact O-N 3.04Å; Y595-H674 AromaticContact CE2-CE1 3.92Å; Y595-H674 AromaticContact CE2-ND1 3.59Å; Y595-H674 AromaticContact CZ-ND1 3.7Å; Y595-H674 PolarHBondContact OH-ND1 3.39Å |
| 596 | R | 80.1 | Confident | 80.8 | Confident | 24 Ų | 24 | 13.5 Ų | 13.5 | 9% | 0.091 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -53.1 | -44.3 | 170 | -65.7 | -174.6 | -173.1 | 154.4 | 8.7 | 111.1 | E592 F600 F619 E631 T638 | E592-R596 WeakPolarHBondContact O-CG 3.48Å; E592-R596 PolarHBondContact O-N 3.07Å; E592-R596 IonicContact OE1-CZ 3.41Å; E592-R596 IonicContact OE1-NE 3.8Å; E592-R596 IonicContact OE1-NH2 2.72Å; E592-R596 PolarHBondContact OE1-NH2 2.72Å; R596-F600 PolarHBondContact O-N 2.89Å; R596-F619 VanDerWaalsContact CA-CE2 3.48Å; R596-F619 HydrophobicContact CB-CD1 4.35Å; R596-F619 HydrophobicContact CB-CD2 3.79Å; R596-F619 HydrophobicContact CB-CE1 4.11Å; R596-F619 HydrophobicContact CB-CE2 3.5Å; R596-F619 HydrophobicContact CB-CG 4.23Å; R596-F619 HydrophobicContact CB-CZ 3.7Å; R596-F619 HydrophobicContact CG-CD1 4.2Å; R596-F619 HydrophobicContact CG-CD2 4.39Å; R596-F619 HydrophobicContact CG-CE1 3.62Å; R596-F619 HydrophobicContact CG-CE2 3.82Å; R596-F619 HydrophobicContact CG-CZ 3.42Å; R596-F619 VanDerWaalsContact CG-CZ 3.42Å; R596-F619 WeakPolarHBondContact O-CD2 3.33Å; R596-F619 WeakPolarHBondContact O-CE2 3.39Å; R596-E631 IonicContact CZ-OE1 2.88Å; R596-E631 IonicContact CZ-OE2 3.07Å; R596-E631 IonicContact NH1-OE1 2.79Å; R596-E631 PolarHBondContact NH1-OE1 3.24Å; R596-E631 IonicContact NH1-OE2 3.82Å; R596-E631 PolarHBondContact NH1-OE2 2.91Å; R596-E631 IonicContact NH2-OE1 3.95Å; R596-E631 PolarHBondContact NH2-OE1 3.09Å; R596-E631 IonicContact NH2-OE2 2.61Å; R596-E631 PolarHBondContact NH2-OE2 2.76Å; R596-T638 PolarHBondContact NE-OG1 3.46Å; R596-T638 PolarHBondContact NH2-OG1 2.99Å |
| 597 | R | 78.8 | Confident | 79.8 | Confident | 64 Ų | 64 | 14.6 Ų | 14.6 | 24% | 0.242 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -67.3 | -36 | 173.9 | -77.3 | 169.6 | 165.1 | -134.3 | 3.7 | 113.6 | K593 I594 Y595 K601 L624 | K593-R597 WeakPolarHBondContact O-CG 3.44Å; K593-R597 PolarHBondContact O-N 2.9Å; I594-R597 CarbonylContact O-C 3.55Å; I594-R597 WeakPolarHBondContact O-CB 3.18Å; I594-R597 PolarHBondContact O-N 2.73Å; Y595-R597 PolarHBondContact O-N 2.63Å; R597-K601 WeakPolarHBondContact O-CG 3.45Å; R597-K601 PolarHBondContact O-N 2.72Å; R597-K601 VanDerWaalsContact O-N 3.13Å; R597-L624 HydrophobicContact CG-CD2 3.64Å; R597-L624 PolarHBondContact NE-O 3.36Å; R597-L624 PolarHBondContact NH2-O 2.95Å |
| 598 | Q | 82 | Confident | 78.8 | Confident | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.009 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -61.1 | -49 | 173.6 | -76 | -166 | -31.7 | 0 | 0 | 111.4 | S557 P560 D563 I594 Y595 F600 K601 D602 | S557-Q598 WeakPolarHBondContact O-CG 3.43Å; S557-Q598 PolarHBondContact O-NE2 3.06Å; P560-Q598 HydrophobicContact CB-CB 4.19Å; P560-Q598 HydrophobicContact CB-CG 4.35Å; D563-Q598 PolarHBondContact OD2-NE2 2.84Å; I594-Q598 PolarHBondContact O-N 2.72Å; Y595-Q598 WeakPolarHBondContact O-CB 3.38Å; Y595-Q598 PolarHBondContact O-N 3.37Å; Q598-F600 VanDerWaalsContact C-N 3.33Å; Q598-F600 PolarHBondContact O-N 2.74Å; Q598-K601 WeakPolarHBondContact O-CB 3.25Å; Q598-K601 PolarHBondContact O-N 2.73Å; Q598-K601 VanDerWaalsContact O-N 3.13Å; Q598-D602 PolarHBondContact O-N 2.97Å |
| 599 | V | 79.9 | Confident | 77.9 | Confident | 2 Ų | 2 | 15.2 Ų | 15.2 | 1% | 0.012 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.8 | -40.8 | -179.4 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | Y595 K601 D602 S603 Y618 M677 Y678 | Y595-V599 HydrophobicContact CD1-CG2 4.38Å; Y595-V599 HydrophobicContact CD2-CG2 4.5Å; Y595-V599 HydrophobicContact CE1-CG2 3.78Å; Y595-V599 HydrophobicContact CE2-CG2 3.91Å; Y595-V599 VanDerWaalsContact CZ-CG2 3.48Å; Y595-V599 PolarHBondContact O-N 3.04Å; V599-K601 PolarHBondContact O-N 2.94Å; V599-D602 PolarHBondContact O-N 3.39Å; V599-S603 WeakPolarHBondContact O-CB 3.28Å; V599-S603 PolarHBondContact O-N 3.13Å; V599-Y618 HydrophobicContact CG1-CD2 3.93Å; V599-Y618 HydrophobicContact CG1-CE2 4.2Å; V599-M677 HydrophobicContact CG1-CE 3.77Å; V599-M677 HydrophobicContact CG2-CE 4.19Å; V599-Y678 HydrophobicContact CG1-CE1 4.26Å |
| 600 | F | 75.1 | Confident | 76.6 | Confident | 44 Ų | 44 | 17.6 Ų | 17.6 | 19% | 0.193 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 174 | -175.1 | -89 | 0 | 0 | 0 | 112.3 | R298 R596 Q598 S603 L604 L624 | R298-F600 HydrophobicContact CB-CE2 3.83Å; R298-F600 HydrophobicContact CB-CZ 3.91Å; R596-F600 PolarHBondContact O-N 2.89Å; Q598-F600 VanDerWaalsContact C-N 3.33Å; Q598-F600 PolarHBondContact O-N 2.74Å; F600-S603 WeakPolarHBondContact O-CB 3.3Å; F600-L604 PolarHBondContact O-N 3.25Å; F600-L604 VanDerWaalsContact O-N 3.13Å; F600-L624 HydrophobicContact CD2-CD1 4.43Å; F600-L624 HydrophobicContact CG-CD1 4.49Å |
| 601 | K | 76.8 | Confident | 75.1 | Confident | 36 Ų | 36 | 20 Ų | 20 | 16% | 0.157 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 174.7 | -74.9 | 180 | 179.2 | -176.5 | 0 | 112.6 | N262 W558 P560 R597 Q598 V599 S603 L604 I605 | N262-K601 PolarHBondContact OD1-NZ 3.39Å; W558-K601 PolarHBondContact O-NZ 3.23Å; P560-K601 HydrophobicContact CG-CB 3.96Å; R597-K601 WeakPolarHBondContact O-CG 3.45Å; R597-K601 PolarHBondContact O-N 2.72Å; R597-K601 VanDerWaalsContact O-N 3.13Å; Q598-K601 WeakPolarHBondContact O-CB 3.25Å; Q598-K601 PolarHBondContact O-N 2.73Å; Q598-K601 VanDerWaalsContact O-N 3.13Å; V599-K601 PolarHBondContact O-N 2.94Å; K601-S603 VanDerWaalsContact C-N 3.33Å; K601-S603 PolarHBondContact O-N 2.93Å; K601-L604 WeakPolarHBondContact O-CA 3.41Å; K601-L604 VanDerWaalsContact O-CB 3.25Å; K601-L604 WeakPolarHBondContact O-CB 3.47Å; K601-L604 PolarHBondContact O-N 3.33Å; K601-I605 WeakPolarHBondContact O-CG1 3.31Å; K601-I605 PolarHBondContact O-N 2.77Å; K601-I605 VanDerWaalsContact O-N 3.08Å |
| 602 | D | 76.1 | Confident | 73.4 | Confident | 27 Ų | 27 | 22.9 Ų | 22.9 | 14% | 0.144 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.2 | -34.3 | -179.9 | -161.7 | 56.9 | 0 | 0 | 0 | 112 | P560 Q598 V599 L604 I605 R606 Y678 | P560-D602 HydrophobicContact CG-CB 4.49Å; Q598-D602 PolarHBondContact O-N 2.97Å; V599-D602 PolarHBondContact O-N 3.39Å; D602-L604 VanDerWaalsContact C-N 3.28Å; D602-L604 PolarHBondContact O-N 2.9Å; D602-I605 PolarHBondContact O-N 3.28Å; D602-R606 WeakPolarHBondContact O-CG 3.49Å; D602-R606 PolarHBondContact O-N 3.4Å; D602-R606 IonicContact OD2-CZ 3.14Å; D602-R606 IonicContact OD2-NE 2.67Å; D602-R606 PolarHBondContact OD2-NE 3.19Å; D602-R606 IonicContact OD2-NH2 2.73Å; D602-R606 PolarHBondContact OD2-NH2 3.15Å; D602-Y678 HydrophobicContact CB-CE1 4.16Å; D602-Y678 VanDerWaalsContact OD2-CZ 3.23Å; D602-Y678 PolarHBondContact OD2-OH 3.42Å |
| 603 | S | 74.4 | Confident | 71.7 | Confident | 11 Ų | 11 | 29.5 Ų | 29.5 | 8% | 0.077 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.4 | -34.3 | 167 | 173.8 | 0 | 0 | 0 | 0 | 113.1 | R298 V599 F600 K601 P615 | R298-S603 VanDerWaalsContact NH1-C 3.28Å; R298-S603 PolarHBondContact NH1-O 3.34Å; V599-S603 WeakPolarHBondContact O-CB 3.28Å; V599-S603 PolarHBondContact O-N 3.13Å; F600-S603 WeakPolarHBondContact O-CB 3.3Å; K601-S603 VanDerWaalsContact C-N 3.33Å; K601-S603 PolarHBondContact O-N 2.93Å; S603-P615 VanDerWaalsContact OG-CG 3.32Å; S603-P615 WeakPolarHBondContact OG-CG 3.43Å |
| 604 | L | 72.6 | Confident | 70.4 | Confident | 10 Ų | 10 | 31.2 Ų | 31.2 | 5% | 0.052 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.7 | -48.1 | 171.1 | -178 | 62.1 | 0 | 0 | 0 | 111.6 | L264 I294 F600 K601 D602 T608 | L264-L604 HydrophobicContact CD1-CD1 4.11Å; L264-L604 HydrophobicContact CD2-CD1 3.84Å; L264-L604 HydrophobicContact CD2-CG 4.41Å; L264-L604 HydrophobicContact CG-CD1 3.91Å; I294-L604 HydrophobicContact CG2-CD1 4.46Å; F600-L604 PolarHBondContact O-N 3.25Å; F600-L604 VanDerWaalsContact O-N 3.13Å; K601-L604 WeakPolarHBondContact O-CA 3.41Å; K601-L604 VanDerWaalsContact O-CB 3.25Å; K601-L604 WeakPolarHBondContact O-CB 3.47Å; K601-L604 PolarHBondContact O-N 3.33Å; D602-L604 VanDerWaalsContact C-N 3.28Å; D602-L604 PolarHBondContact O-N 2.9Å; L604-T608 PolarHBondContact O-N 3.34Å; L604-T608 PolarHBondContact O-OG1 2.98Å |
| 605 | I | 72.9 | Confident | 69.1 | Low | 12 Ų | 12 | 31.6 Ų | 31.6 | 6% | 0.062 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -59.7 | -53.6 | -179.6 | -58.9 | 167.7 | 0 | 0 | 0 | 110.7 | I260 K601 D602 Q607 T608 T609 | I260-I605 HydrophobicContact CB-CG1 3.96Å; I260-I605 HydrophobicContact CB-CG2 4.44Å; I260-I605 HydrophobicContact CG2-CG1 4.02Å; I260-I605 WeakPolarHBondContact O-CD1 3.38Å; K601-I605 WeakPolarHBondContact O-CG1 3.31Å; K601-I605 PolarHBondContact O-N 2.77Å; K601-I605 VanDerWaalsContact O-N 3.08Å; D602-I605 PolarHBondContact O-N 3.28Å; I605-Q607 PolarHBondContact O-N 3.45Å; I605-T608 PolarHBondContact O-N 3.35Å; I605-T609 PolarHBondContact O-N 3.29Å; I605-T609 VanDerWaalsContact O-N 3.08Å; I605-T609 PolarHBondContact O-OG1 3.08Å |
| 606 | R | 73.7 | Confident | 67.5 | Low | 39 Ų | 39 | 33.8 Ų | 33.8 | 15% | 0.147 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63.2 | -42.6 | -171.8 | -68.1 | 178.7 | -165.2 | -122.4 | 5 | 114.3 | D602 T609 G610 E611 Y678 | D602-R606 WeakPolarHBondContact O-CG 3.49Å; D602-R606 PolarHBondContact O-N 3.4Å; D602-R606 IonicContact OD2-CZ 3.14Å; D602-R606 IonicContact OD2-NE 2.67Å; D602-R606 PolarHBondContact OD2-NE 3.19Å; D602-R606 IonicContact OD2-NH2 2.73Å; D602-R606 PolarHBondContact OD2-NH2 3.15Å; R606-T609 PolarHBondContact O-N 2.99Å; R606-G610 PolarHBondContact O-N 3.25Å; R606-G610 VanDerWaalsContact O-N 3.15Å; R606-E611 PolarHBondContact O-N 3.29Å; R606-Y678 VanDerWaalsContact NH2-CD2 3.29Å; R606-Y678 VanDerWaalsContact NH2-CE2 3.26Å |
| 607 | Q | 70.6 | Confident | 66.5 | Low | 23 Ų | 23 | 35 Ų | 35 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68 | -43.4 | 178.6 | 178.8 | -176 | -7.2 | 0 | 0 | 111.1 | S314 I605 T609 G610 | S314-Q607 PolarHBondContact OG-NE2 3.27Å; I605-Q607 PolarHBondContact O-N 3.45Å; Q607-T609 PolarHBondContact O-N 3.42Å; Q607-G610 PolarHBondContact O-N 2.87Å |
| 608 | T | 65.4 | Low | 65.4 | Low | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 6 | -180 | -50.9 | 0 | 0 | 0 | 0 | 113.3 | I260 L264 L267 L317 M318 L604 I605 | I260-T608 HydrophobicContact CD1-CG2 3.89Å; L264-T608 HydrophobicContact CD2-CG2 3.69Å; L267-T608 HydrophobicContact CD2-CG2 3.65Å; L317-T608 HydrophobicContact CD2-CG2 4.22Å; M318-T608 VanDerWaalsContact SD-C 3.6Å; L604-T608 PolarHBondContact O-N 3.34Å; L604-T608 PolarHBondContact O-OG1 2.98Å; I605-T608 PolarHBondContact O-N 3.35Å |
| 609 | T | 63.3 | Low | 64.3 | Low | 12 Ų | 12 | 32.7 Ų | 32.7 | 7% | 0.074 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 7 | 159.2 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | P259 F325 R327 I605 R606 Q607 E611 | P259-T609 HydrophobicContact CG-CG2 3.91Å; F325-T609 HydrophobicContact CE1-CG2 4.07Å; F325-T609 HydrophobicContact CZ-CG2 3.68Å; R327-T609 PolarHBondContact NH1-OG1 3.23Å; I605-T609 PolarHBondContact O-N 3.29Å; I605-T609 VanDerWaalsContact O-N 3.08Å; I605-T609 PolarHBondContact O-OG1 3.08Å; R606-T609 PolarHBondContact O-N 2.99Å; Q607-T609 PolarHBondContact O-N 3.42Å; T609-E611 PolarHBondContact O-N 3.47Å |
| 610 | G | 58.3 | Low | 63.3 | Low | 51 Ų | 51 | 33.3 Ų | 33.3 | 53% | 0.526 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 21.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 116 | R606 Q607 | R606-G610 PolarHBondContact O-N 3.25Å; R606-G610 VanDerWaalsContact O-N 3.15Å; Q607-G610 PolarHBondContact O-N 2.87Å |
| 611 | E | 51.6 | Low | 62.4 | Low | 51 Ų | 51 | 35.3 Ų | 35.3 | 24% | 0.238 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -81.9 | -27.4 | -169.8 | -66.9 | -179.3 | 155.8 | 0 | 0 | 113.8 | R327 T329 R606 T609 | R327-E611 WeakPolarHBondContact CD-OE1 3.37Å; R327-E611 IonicContact CZ-OE1 2.75Å; R327-E611 IonicContact CZ-OE2 3.49Å; R327-E611 VanDerWaalsContact CZ-OE2 3.25Å; R327-E611 IonicContact NE-OE1 2.8Å; R327-E611 PolarHBondContact NE-OE1 3.15Å; R327-E611 IonicContact NH1-OE1 3.99Å; R327-E611 PolarHBondContact NH1-OE1 3.49Å; R327-E611 IonicContact NH1-OE2 3.12Å; R327-E611 PolarHBondContact NH1-OE2 3.09Å; R327-E611 IonicContact NH2-OE1 2.78Å; R327-E611 PolarHBondContact NH2-OE1 2.82Å; R327-E611 VanDerWaalsContact NH2-OE1 3.09Å; R327-E611 IonicContact NH2-OE2 3.38Å; R327-E611 PolarHBondContact NH2-OE2 3.19Å; T329-E611 VanDerWaalsContact CG2-CD 3.49Å; T329-E611 HydrophobicContact CG2-CG 4.27Å; T329-E611 WeakPolarHBondContact CG2-OE1 3.26Å; R606-E611 PolarHBondContact O-N 3.29Å; T609-E611 PolarHBondContact O-N 3.47Å |
| 612 | K | 53.1 | Low | 61.6 | Low | 59 Ų | 59 | 39.8 Ų | 39.8 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -149.3 | 154.4 | 174.6 | -62 | -168.2 | -177.2 | -169.5 | 0 | 111.1 | Y678 | K612-Y678 WeakPolarHBondContact CD-O 3.46Å; K612-Y678 WeakPolarHBondContact CE-O 3.42Å; K612-Y678 PolarHBondContact NZ-O 3.48Å |
| 613 | K | 50.8 | Low | 60.7 | Low | 140 Ų | 140 | 41.4 Ų | 41.4 | 61% | 0.609 | 20% | 0.204 | S | C | * | . | S | Bend | trans | -90.5 | 105.6 | -177.2 | -74.1 | -173.1 | 173.6 | -171.2 | 0 | 111.1 | D681 | K613-D681 WeakPolarHBondContact O-CB 3.44Š|
| 614 | N | 54.4 | Low | 59.8 | Low | 43 Ų | 43 | 42.2 Ų | 42.2 | 23% | 0.23 | 21% | 0.208 | C | C | . | . | S | Bend | trans | 59.1 | 70.1 | 174.3 | -61.4 | -25.4 | 0 | 0 | 0 | 113.9 | F311 | F311-N614 WeakPolarHBondContact CD2-OD1 3.33Å; F311-N614 WeakPolarHBondContact CE2-OD1 3.25Å |
| 615 | P | 55.8 | Low | 59 | Low | 9 Ų | 9 | 48.8 Ų | 48.8 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | B | Isolated β-bridge | trans | -52.1 | 141.9 | 170 | 23.2 | -35 | 0 | 0 | 0 | 112.3 | S603 | S603-P615 VanDerWaalsContact OG-CG 3.32Å; S603-P615 WeakPolarHBondContact OG-CG 3.43Å |
| 616 | F | 51.2 | Low | 58.5 | Low | 48 Ų | 48 | 52 Ų | 52 | 21% | 0.211 | 25% | 0.247 | C | C | . | . | trans | -55.4 | 145.1 | -173.8 | -167 | -85.5 | 0 | 0 | 0 | 113.7 | Y618 L645 L682 | F616-Y618 HydrophobicContact CB-CE2 3.86Å; F616-Y618 AromaticContact CD1-CD1 3.71Å; F616-Y618 HydrophobicContact CD1-CD1 3.71Å; F616-Y618 HydrophobicContact CD1-CD2 4Å; F616-Y618 AromaticContact CD1-CE1 3.6Å; F616-Y618 HydrophobicContact CD1-CE1 3.6Å; F616-Y618 AromaticContact CD1-CE2 3.9Å; F616-Y618 HydrophobicContact CD1-CE2 3.9Å; F616-Y618 AromaticContact CD1-CG 3.91Å; F616-Y618 HydrophobicContact CD1-CG 3.91Å; F616-Y618 AromaticContact CD1-CZ 3.69Å; F616-Y618 HydrophobicContact CE1-CD1 4.04Å; F616-Y618 HydrophobicContact CE1-CE1 4.14Å; F616-Y618 HydrophobicContact CE1-CG 4.46Å; F616-Y618 HydrophobicContact CG-CE1 4.41Å; F616-Y618 HydrophobicContact CG-CE2 4.35Å; F616-Y618 WeakPolarHBondContact O-CD2 3.47Å; F616-Y618 WeakPolarHBondContact O-CE2 3.42Å; F616-L645 HydrophobicContact CE1-CD1 4.45Å; F616-L682 HydrophobicContact CD2-CD1 3.79Å; F616-L682 HydrophobicContact CD2-CD2 4.19Å; F616-L682 HydrophobicContact CD2-CG 3.9Å; F616-L682 HydrophobicContact CE2-CD1 4.02Å; F616-L682 HydrophobicContact CE2-CD2 4.04Å; F616-L682 HydrophobicContact CE2-CG 4.21Å | ||
| 617 | R | 60.7 | Low | 58 | Low | 49 Ų | 49 | 50.6 Ų | 50.6 | 19% | 0.185 | 24% | 0.242 | C | C | . | . | trans | -101.9 | 95.8 | -174.5 | -56.9 | 179.3 | -163.4 | -165.3 | 1.4 | 111.1 | A297 K307 | A297-R617 PolarHBondContact O-NH1 3.31Å; A297-R617 PolarHBondContact O-NH2 3.18Å; K307-R617 VanDerWaalsContact CB-NH2 3.35Å | ||
| 618 | Y | 54.5 | Low | 57.6 | Low | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.035 | 24% | 0.24 | C | C | . | . | trans | -78.5 | -32.1 | -173.6 | -63.5 | -86.5 | 0 | 0 | 0 | 113.9 | V599 F616 L642 L645 H646 M677 | V599-Y618 HydrophobicContact CG1-CD2 3.93Å; V599-Y618 HydrophobicContact CG1-CE2 4.2Å; F616-Y618 HydrophobicContact CB-CE2 3.86Å; F616-Y618 AromaticContact CD1-CD1 3.71Å; F616-Y618 HydrophobicContact CD1-CD1 3.71Å; F616-Y618 HydrophobicContact CD1-CD2 4Å; F616-Y618 AromaticContact CD1-CE1 3.6Å; F616-Y618 HydrophobicContact CD1-CE1 3.6Å; F616-Y618 AromaticContact CD1-CE2 3.9Å; F616-Y618 HydrophobicContact CD1-CE2 3.9Å; F616-Y618 AromaticContact CD1-CG 3.91Å; F616-Y618 HydrophobicContact CD1-CG 3.91Å; F616-Y618 AromaticContact CD1-CZ 3.69Å; F616-Y618 HydrophobicContact CE1-CD1 4.04Å; F616-Y618 HydrophobicContact CE1-CE1 4.14Å; F616-Y618 HydrophobicContact CE1-CG 4.46Å; F616-Y618 HydrophobicContact CG-CE1 4.41Å; F616-Y618 HydrophobicContact CG-CE2 4.35Å; F616-Y618 WeakPolarHBondContact O-CD2 3.47Å; F616-Y618 WeakPolarHBondContact O-CE2 3.42Å; Y618-L642 HydrophobicContact CE1-CD2 4.28Å; Y618-L645 HydrophobicContact CE1-CD1 3.9Å; Y618-H646 AromaticContact CE1-NE2 3.73Å; Y618-H646 AromaticContact CZ-NE2 3.44Å; Y618-H646 PolarHBondContact OH-NE2 2.9Å; Y618-M677 HydrophobicContact CD1-CE 4.01Å; Y618-M677 HydrophobicContact CD2-CE 4Å; Y618-M677 HydrophobicContact CE1-CE 3.63Å; Y618-M677 HydrophobicContact CE1-SD 4.49Å; Y618-M677 HydrophobicContact CE2-CE 3.62Å; Y618-M677 WeakPolarHBondContact CE2-O 3.46Å; Y618-M677 HydrophobicContact CG-CE 4.19Å; Y618-M677 VanDerWaalsContact CZ-CE 3.42Å; Y618-M677 PolarHBondContact OH-O 3.48Å | ||
| 619 | F | 59.8 | Low | 57.6 | Low | 9 Ų | 9 | 52.9 Ų | 52.9 | 4% | 0.039 | 26% | 0.256 | C | S | . | . | trans | -135.8 | 152.6 | -164.2 | -46.9 | -61.6 | 0 | 0 | 0 | 115.5 | K300 R596 E623 L624 T638 | K300-F619 WeakPolarHBondContact CB-O 3.3Å; K300-F619 PolarHBondContact N-O 3.14Å; R596-F619 VanDerWaalsContact CA-CE2 3.48Å; R596-F619 HydrophobicContact CB-CD1 4.35Å; R596-F619 HydrophobicContact CB-CD2 3.79Å; R596-F619 HydrophobicContact CB-CE1 4.11Å; R596-F619 HydrophobicContact CB-CE2 3.5Å; R596-F619 HydrophobicContact CB-CG 4.23Å; R596-F619 HydrophobicContact CB-CZ 3.7Å; R596-F619 HydrophobicContact CG-CD1 4.2Å; R596-F619 HydrophobicContact CG-CD2 4.39Å; R596-F619 HydrophobicContact CG-CE1 3.62Å; R596-F619 HydrophobicContact CG-CE2 3.82Å; R596-F619 HydrophobicContact CG-CZ 3.42Å; R596-F619 VanDerWaalsContact CG-CZ 3.42Å; R596-F619 WeakPolarHBondContact O-CD2 3.33Å; R596-F619 WeakPolarHBondContact O-CE2 3.39Å; F619-E623 WeakPolarHBondContact CA-OE2 3.34Å; F619-L624 HydrophobicContact CB-CD2 4.31Å; F619-L624 HydrophobicContact CB-CG 4.42Å; F619-T638 HydrophobicContact CZ-CG2 4.41Å | ||
| 620 | S | 57.9 | Low | 57.7 | Low | 16 Ų | 16 | 55.4 Ų | 55.4 | 11% | 0.112 | 27% | 0.269 | C | S | . | . | trans | -95.6 | 162.9 | 175.2 | 70.5 | 0 | 0 | 0 | 0 | 113.7 | D301 Q622 E623 L624 | D301-S620 WeakPolarHBondContact OD1-CB 3.26Å; S620-Q622 PolarHBondContact O-N 3.19Å; S620-E623 WeakPolarHBondContact CB-OE1 3.46Å; S620-E623 PolarHBondContact N-OE2 3.07Å; S620-E623 PolarHBondContact O-N 3.24Å; S620-E623 WeakPolarHBondContact OG-CG 3.39Å; S620-E623 PolarHBondContact OG-N 2.83Å; S620-E623 PolarHBondContact OG-OE1 3.13Å; S620-L624 VanDerWaalsContact O-CG 3.29Å; S620-L624 WeakPolarHBondContact O-CG 3.49Å; S620-L624 PolarHBondContact O-N 3.08Å; S620-L624 VanDerWaalsContact O-N 3.16Å | ||
| 621 | K | 57.5 | Low | 58.1 | Low | 85 Ų | 85 | 55.2 Ų | 55.2 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -30.1 | 179 | -160 | -164.9 | -146.6 | 85.5 | 0 | 112.8 | E299 R625 | E299-K621 VanDerWaalsContact OE1-CG 3.27Å; E299-K621 WeakPolarHBondContact OE1-CG 3.27Å; E299-K621 IonicContact OE1-NZ 2.96Å; E299-K621 PolarHBondContact OE1-NZ 2.83Å; E299-K621 IonicContact OE2-NZ 2.68Å; E299-K621 PolarHBondContact OE2-NZ 3.16Å; E299-K621 VanDerWaalsContact OE2-NZ 3.07Å; K621-R625 WeakPolarHBondContact O-CG 3.35Å; K621-R625 PolarHBondContact O-N 3.35Å |
| 622 | Q | 58.7 | Low | 58.8 | Low | 130 Ų | 130 | 56.1 Ų | 56.1 | 61% | 0.607 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -46 | -179.6 | -176.1 | 171.8 | -29 | 0 | 0 | 111.8 | S620 L624 R625 E626 | S620-Q622 PolarHBondContact O-N 3.19Å; Q622-L624 PolarHBondContact O-N 3.45Å; Q622-L624 VanDerWaalsContact O-N 3.15Å; Q622-R625 WeakPolarHBondContact O-CA 3.45Å; Q622-R625 WeakPolarHBondContact O-CB 3.4Å; Q622-R625 PolarHBondContact O-N 3.35Å; Q622-E626 WeakPolarHBondContact CG-OE1 3.49Å; Q622-E626 PolarHBondContact NE2-OE1 3.29Å; Q622-E626 VanDerWaalsContact NE2-OE1 3.08Å; Q622-E626 PolarHBondContact O-N 3.48Å; Q622-E626 VanDerWaalsContact O-N 3.1Å |
| 623 | E | 57.3 | Low | 59.7 | Low | 61 Ų | 61 | 53.3 Ų | 53.3 | 29% | 0.285 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53 | -36.1 | 171.3 | -69.4 | 154.9 | -141 | 0 | 0 | 111.7 | K300 F619 S620 | K300-E623 IonicContact NZ-OE1 3.67Å; K300-E623 PolarHBondContact NZ-OE1 2.95Å; K300-E623 IonicContact NZ-OE2 3.68Å; F619-E623 WeakPolarHBondContact CA-OE2 3.34Å; S620-E623 WeakPolarHBondContact CB-OE1 3.46Å; S620-E623 PolarHBondContact N-OE2 3.07Å; S620-E623 PolarHBondContact O-N 3.24Å; S620-E623 WeakPolarHBondContact OG-CG 3.39Å; S620-E623 PolarHBondContact OG-N 2.83Å; S620-E623 PolarHBondContact OG-OE1 3.13Å |
| 624 | L | 55 | Low | 60.4 | Low | 28 Ų | 28 | 49.8 Ų | 49.8 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -24 | 176 | -65.4 | 171.8 | 0 | 0 | 0 | 113.7 | R597 F600 F619 S620 Q622 | R597-L624 HydrophobicContact CG-CD2 3.64Å; R597-L624 PolarHBondContact NE-O 3.36Å; R597-L624 PolarHBondContact NH2-O 2.95Å; F600-L624 HydrophobicContact CD2-CD1 4.43Å; F600-L624 HydrophobicContact CG-CD1 4.49Å; F619-L624 HydrophobicContact CB-CD2 4.31Å; F619-L624 HydrophobicContact CB-CG 4.42Å; S620-L624 VanDerWaalsContact O-CG 3.29Å; S620-L624 WeakPolarHBondContact O-CG 3.49Å; S620-L624 PolarHBondContact O-N 3.08Å; S620-L624 VanDerWaalsContact O-N 3.16Å; Q622-L624 PolarHBondContact O-N 3.45Å; Q622-L624 VanDerWaalsContact O-N 3.15Å |
| 625 | R | 56 | Low | 61.2 | Low | 149 Ų | 149 | 52.2 Ų | 52.2 | 56% | 0.562 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -30.6 | 176.9 | -75.6 | 172.7 | 171.7 | -170.7 | -5.1 | 112.4 | K621 Q622 L627 | K621-R625 WeakPolarHBondContact O-CG 3.35Å; K621-R625 PolarHBondContact O-N 3.35Å; Q622-R625 WeakPolarHBondContact O-CA 3.45Å; Q622-R625 WeakPolarHBondContact O-CB 3.4Å; Q622-R625 PolarHBondContact O-N 3.35Å; R625-L627 PolarHBondContact O-N 3.11Å |
| 626 | E | 64.1 | Low | 62.1 | Low | 80 Ų | 80 | 51.9 Ų | 51.9 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | trans | -73.9 | 52.9 | -178.9 | -69.4 | 177.2 | -157.6 | 0 | 0 | 113.6 | K593 Q622 F628 T629 | K593-E626 PolarHBondContact NZ-O 3.07Å; Q622-E626 WeakPolarHBondContact CG-OE1 3.49Å; Q622-E626 PolarHBondContact NE2-OE1 3.29Å; Q622-E626 VanDerWaalsContact NE2-OE1 3.08Å; Q622-E626 PolarHBondContact O-N 3.48Å; Q622-E626 VanDerWaalsContact O-N 3.1Å; E626-F628 VanDerWaalsContact C-N 3.32Å; E626-F628 PolarHBondContact O-N 3.49Å; E626-T629 HydrophobicContact CB-CG2 3.98Å; E626-T629 HydrophobicContact CG-CG2 4.28Å; E626-T629 PolarHBondContact O-OG1 3.33Å; E626-T629 VanDerWaalsContact O-OG1 3.05Å | ||
| 627 | L | 61.8 | Low | 63.2 | Low | 9 Ų | 9 | 53.7 Ų | 53.7 | 5% | 0.047 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -37.1 | -178.6 | -74.5 | 176.9 | 0 | 0 | 0 | 113.2 | L404 W558 K593 R625 | L404-L627 HydrophobicContact CD1-CD1 3.7Å; L404-L627 HydrophobicContact CD2-CB 4.08Å; L404-L627 HydrophobicContact CD2-CD1 4.09Å; W558-L627 HydrophobicContact CH2-CD1 4.33Å; W558-L627 HydrophobicContact CH2-CD2 4.5Å; K593-L627 HydrophobicContact CB-CD2 4.06Å; K593-L627 WeakPolarHBondContact CD-O 3.27Å; K593-L627 PolarHBondContact NZ-O 3.46Å; K593-L627 VanDerWaalsContact NZ-O 3.11Å; R625-L627 PolarHBondContact O-N 3.11Å |
| 628 | F | 62.2 | Low | 63.8 | Low | 13 Ų | 13 | 51.4 Ų | 51.4 | 6% | 0.057 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -0.5 | -171.4 | -70.9 | -94.4 | 0 | 0 | 0 | 115.3 | V385 I390 L394 P400 E403 L404 L407 E626 I630 | V385-F628 VanDerWaalsContact CG1-O 3.27Å; V385-F628 WeakPolarHBondContact CG1-O 3.16Å; I390-F628 HydrophobicContact CG2-CD1 3.72Å; I390-F628 HydrophobicContact CG2-CE1 3.84Å; I390-F628 HydrophobicContact CG2-CG 4.41Å; L394-F628 HydrophobicContact CD1-CB 4.04Å; L394-F628 HydrophobicContact CD2-CB 4.25Å; L394-F628 HydrophobicContact CD2-CD2 3.74Å; L394-F628 HydrophobicContact CD2-CE2 4.42Å; L394-F628 HydrophobicContact CD2-CG 4.24Å; P400-F628 HydrophobicContact CB-CE2 3.82Å; P400-F628 HydrophobicContact CB-CZ 3.95Å; P400-F628 HydrophobicContact CG-CE2 4.33Å; E403-F628 HydrophobicContact CB-CE1 4.09Å; E403-F628 HydrophobicContact CB-CZ 4.04Å; L404-F628 HydrophobicContact CD1-CE2 4.32Å; L404-F628 HydrophobicContact CD1-CZ 4.48Å; L404-F628 HydrophobicContact CD2-CD2 4.38Å; L404-F628 HydrophobicContact CD2-CE1 4.26Å; L404-F628 HydrophobicContact CD2-CE2 3.73Å; L404-F628 HydrophobicContact CD2-CZ 3.67Å; L404-F628 HydrophobicContact CG-CE2 3.88Å; L404-F628 HydrophobicContact CG-CZ 3.64Å; L407-F628 HydrophobicContact CD1-CD1 3.86Å; L407-F628 HydrophobicContact CD1-CE1 3.76Å; E626-F628 VanDerWaalsContact C-N 3.32Å; E626-F628 PolarHBondContact O-N 3.49Å; F628-I630 PolarHBondContact O-N 2.96Å |
| 629 | T | 65.3 | Low | 65.1 | Low | 59 Ų | 59 | 51.6 Ų | 51.6 | 36% | 0.362 | 25% | 0.252 | S | S | . | . | trans | -63.1 | 135.3 | 172.4 | 50 | 0 | 0 | 0 | 0 | 110.5 | K593 E626 E631 | K593-T629 PolarHBondContact NZ-O 3.11Å; K593-T629 PolarHBondContact NZ-OG1 2.88Å; E626-T629 HydrophobicContact CB-CG2 3.98Å; E626-T629 HydrophobicContact CG-CG2 4.28Å; E626-T629 PolarHBondContact O-OG1 3.33Å; E626-T629 VanDerWaalsContact O-OG1 3.05Å; T629-E631 PolarHBondContact O-N 3.45Å | ||
| 630 | I | 65.1 | Low | 65.9 | Low | 66 Ų | 66 | 56 Ų | 56 | 34% | 0.338 | 28% | 0.276 | S | S | . | . | trans | -84.5 | 113 | 174.6 | -49.6 | 179.5 | 0 | 0 | 0 | 107.4 | R382 V385 F628 L633 | R382-I630 HydrophobicContact CG-CD1 4.49Å; V385-I630 HydrophobicContact CB-CD1 3.94Å; V385-I630 HydrophobicContact CB-CG1 4.09Å; V385-I630 HydrophobicContact CG1-CD1 3.85Å; V385-I630 HydrophobicContact CG1-CG1 3.64Å; V385-I630 HydrophobicContact CG2-CG1 4.48Å; F628-I630 PolarHBondContact O-N 2.96Å; I630-L633 HydrophobicContact CG2-CD1 4.4Å; I630-L633 HydrophobicContact CG2-CG 4.38Å | ||
| 631 | E | 66.4 | Low | 66.7 | Low | 46 Ų | 46 | 58 Ų | 58 | 22% | 0.215 | 28% | 0.284 | C | S | . | . | trans | -87.8 | -176.4 | 170.4 | -65.7 | -179.2 | -140.7 | 0 | 0 | 109.9 | K593 R596 T629 L633 | K593-E631 WeakPolarHBondContact CE-OE1 3.5Å; K593-E631 IonicContact NZ-OE1 2.62Å; R596-E631 IonicContact CZ-OE1 2.88Å; R596-E631 IonicContact CZ-OE2 3.07Å; R596-E631 IonicContact NH1-OE1 2.79Å; R596-E631 PolarHBondContact NH1-OE1 3.24Å; R596-E631 IonicContact NH1-OE2 3.82Å; R596-E631 PolarHBondContact NH1-OE2 2.91Å; R596-E631 IonicContact NH2-OE1 3.95Å; R596-E631 PolarHBondContact NH2-OE1 3.09Å; R596-E631 IonicContact NH2-OE2 2.61Å; R596-E631 PolarHBondContact NH2-OE2 2.76Å; T629-E631 PolarHBondContact O-N 3.45Å; E631-L633 PolarHBondContact O-N 3.08Å | ||
| 632 | D | 68 | Low | 67.5 | Low | 71 Ų | 71 | 54.1 Ų | 54.1 | 38% | 0.38 | 27% | 0.267 | S | S | . | . | trans | -65.4 | 119.7 | 171.5 | -176 | 4.8 | 0 | 0 | 0 | 110.2 | G588 Q634 N635 | G588-D632 WeakPolarHBondContact CA-O 3.39Å; D632-Q634 VanDerWaalsContact C-N 3.27Å; D632-Q634 WeakPolarHBondContact OD1-CB 3.1Å; D632-Q634 PolarHBondContact OD1-N 2.91Å; D632-N635 WeakPolarHBondContact OD2-CB 3.23Å; D632-N635 PolarHBondContact OD2-N 3.49Å; D632-N635 PolarHBondContact OD2-ND2 3.04Å | ||
| 633 | L | 70.2 | Confident | 68.3 | Low | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -79.9 | -11.2 | -179.6 | -61.5 | 176.3 | 0 | 0 | 0 | 112.5 | L373 E378 Y381 R382 T589 I630 E631 | L373-L633 HydrophobicContact CD1-CD1 4.41Å; L373-L633 HydrophobicContact CD1-CD2 4.33Å; E378-L633 HydrophobicContact CB-CD1 4.34Å; E378-L633 HydrophobicContact CG-CD1 3.72Å; Y381-L633 HydrophobicContact CD1-CD1 4.44Å; Y381-L633 HydrophobicContact CD1-CD2 4.49Å; Y381-L633 HydrophobicContact CE1-CD2 4.34Å; R382-L633 HydrophobicContact CG-CD1 4.32Å; T589-L633 HydrophobicContact CG2-CD2 4.18Å; I630-L633 HydrophobicContact CG2-CD1 4.4Å; I630-L633 HydrophobicContact CG2-CG 4.38Å; E631-L633 PolarHBondContact O-N 3.08Å |
| 634 | Q | 65.7 | Low | 69.1 | Low | 66 Ų | 66 | 54.3 Ų | 54.3 | 31% | 0.308 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -98.7 | -34.7 | 179.2 | -59.8 | -63.3 | -35 | 0 | 0 | 112.2 | E378 D632 | E378-Q634 PolarHBondContact OE2-NE2 2.97Å; D632-Q634 VanDerWaalsContact C-N 3.27Å; D632-Q634 WeakPolarHBondContact OD1-CB 3.1Å; D632-Q634 PolarHBondContact OD1-N 2.91Å |
| 635 | N | 70.9 | Confident | 69.7 | Low | 94 Ų | 94 | 56.1 Ų | 56.1 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -124.3 | 116.7 | 179.1 | -54.1 | -79.8 | 0 | 0 | 0 | 112.1 | D632 V637 | D632-N635 WeakPolarHBondContact OD2-CB 3.23Å; D632-N635 PolarHBondContact OD2-N 3.49Å; D632-N635 PolarHBondContact OD2-ND2 3.04Å; N635-V637 PolarHBondContact O-N 3.26Å |
| 636 | S | 75.6 | Confident | 70.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 26% | 0.263 | C | S | . | . | trans | -75.3 | 120.5 | 174.9 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | W370 E592 T638 Q639 L640 | W370-S636 WeakPolarHBondContact CZ3-OG 3.36Å; E592-S636 PolarHBondContact OE1-OG 2.9Å; E592-S636 VanDerWaalsContact OE2-CB 3.25Å; E592-S636 WeakPolarHBondContact OE2-CB 3.34Å; E592-S636 PolarHBondContact OE2-OG 3.28Å; S636-T638 VanDerWaalsContact C-N 3.25Å; S636-T638 PolarHBondContact O-N 3.16Å; S636-T638 PolarHBondContact OG-N 2.75Å; S636-Q639 WeakPolarHBondContact O-CB 3.45Å; S636-Q639 PolarHBondContact O-N 2.58Å; S636-Q639 PolarHBondContact OG-N 2.94Å; S636-L640 PolarHBondContact O-N 2.97Å | ||
| 637 | V | 73.8 | Confident | 70.3 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 52% | 0.521 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 171.8 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | N635 L640 Q641 | N635-V637 PolarHBondContact O-N 3.26Å; V637-L640 PolarHBondContact O-N 2.94Å; V637-Q641 PolarHBondContact O-N 3.34Å; V637-Q641 VanDerWaalsContact O-N 3.16Å |
| 638 | T | 74.8 | Confident | 70.1 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 175.2 | -48.2 | 0 | 0 | 0 | 0 | 110.3 | W370 E592 R596 F619 S636 L640 Q641 L642 | W370-T638 HydrophobicContact CH2-CG2 3.91Å; W370-T638 HydrophobicContact CZ2-CG2 4.12Å; E592-T638 WeakPolarHBondContact OE1-CB 3.14Å; E592-T638 PolarHBondContact OE1-N 3.12Å; E592-T638 PolarHBondContact OE1-OG1 2.81Å; R596-T638 PolarHBondContact NE-OG1 3.46Å; R596-T638 PolarHBondContact NH2-OG1 2.99Å; F619-T638 HydrophobicContact CZ-CG2 4.41Å; S636-T638 VanDerWaalsContact C-N 3.25Å; S636-T638 PolarHBondContact O-N 3.16Å; S636-T638 PolarHBondContact OG-N 2.75Å; T638-L640 VanDerWaalsContact C-N 3.32Å; T638-L640 PolarHBondContact O-N 3.11Å; T638-Q641 CarbonylContact O-C 3.58Å; T638-Q641 WeakPolarHBondContact O-CB 3.42Å; T638-Q641 PolarHBondContact O-N 3.29Å; T638-Q641 VanDerWaalsContact O-N 3.12Å; T638-L642 HydrophobicContact CG2-CD1 4.31Å; T638-L642 HydrophobicContact CG2-CD2 4.01Å; T638-L642 HydrophobicContact CG2-CG 4.03Å; T638-L642 VanDerWaalsContact O-CG 3.25Å; T638-L642 WeakPolarHBondContact O-CG 3.45Å; T638-L642 PolarHBondContact O-N 2.93Å |
| 639 | Q | 80.2 | Confident | 70.1 | Confident | 13 Ų | 13 | 56.6 Ų | 56.6 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -52.2 | -49.5 | 179.6 | 178.5 | -166.5 | -44 | 0 | 0 | 111.9 | W370 S636 Q641 L642 Q643 A669 | W370-Q639 HydrophobicContact CD2-CB 3.99Å; W370-Q639 HydrophobicContact CG-CB 4.04Å; W370-Q639 HydrophobicContact CG-CG 4.06Å; W370-Q639 HydrophobicContact CZ2-CB 4.35Å; S636-Q639 WeakPolarHBondContact O-CB 3.45Å; S636-Q639 PolarHBondContact O-N 2.58Å; S636-Q639 PolarHBondContact OG-N 2.94Å; Q639-Q641 VanDerWaalsContact C-N 3.33Å; Q639-Q641 PolarHBondContact O-N 3.43Å; Q639-L642 PolarHBondContact O-N 3.48Å; Q639-L642 VanDerWaalsContact O-N 3.16Å; Q639-Q643 VanDerWaalsContact O-CB 3.29Å; Q639-Q643 WeakPolarHBondContact O-CB 3.35Å; Q639-Q643 PolarHBondContact O-N 3.46Å; Q639-A669 PolarHBondContact NE2-O 3.44Å; Q639-A669 VanDerWaalsContact OE1-C 3.29Å; Q639-A669 PolarHBondContact OE1-O 2.88Å |
| 640 | L | 77.8 | Confident | 70.3 | Confident | 101 Ų | 101 | 57.1 Ų | 57.1 | 53% | 0.529 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | -178.9 | -65.2 | 173.8 | 0 | 0 | 0 | 111.7 | S636 V637 T638 S644 | S636-L640 PolarHBondContact O-N 2.97Å; V637-L640 PolarHBondContact O-N 2.94Å; T638-L640 VanDerWaalsContact C-N 3.32Å; T638-L640 PolarHBondContact O-N 3.11Å; L640-S644 WeakPolarHBondContact O-CB 3.27Å; L640-S644 PolarHBondContact O-N 3.18Å; L640-S644 PolarHBondContact O-OG 3.09Å |
| 641 | Q | 73.9 | Confident | 70.3 | Confident | 60 Ų | 60 | 62 Ų | 62 | 28% | 0.28 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 172.5 | -168.9 | -177.6 | 4 | 0 | 0 | 112.5 | V637 T638 Q639 S644 L645 | V637-Q641 PolarHBondContact O-N 3.34Å; V637-Q641 VanDerWaalsContact O-N 3.16Å; T638-Q641 CarbonylContact O-C 3.58Å; T638-Q641 WeakPolarHBondContact O-CB 3.42Å; T638-Q641 PolarHBondContact O-N 3.29Å; T638-Q641 VanDerWaalsContact O-N 3.12Å; Q639-Q641 VanDerWaalsContact C-N 3.33Å; Q639-Q641 PolarHBondContact O-N 3.43Å; Q641-S644 PolarHBondContact O-OG 2.89Å; Q641-S644 VanDerWaalsContact O-OG 3.13Å; Q641-L645 HydrophobicContact CG-CD1 4.12Å; Q641-L645 WeakPolarHBondContact O-CB 3.45Å; Q641-L645 WeakPolarHBondContact O-CD1 3.06Å; Q641-L645 VanDerWaalsContact O-CG 3.24Å; Q641-L645 WeakPolarHBondContact O-CG 3.38Å; Q641-L645 PolarHBondContact O-N 3.48Å |
| 642 | L | 75.2 | Confident | 70.4 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.9 | -41.3 | 178.5 | -56.2 | -158.7 | 0 | 0 | 0 | 111.3 | I368 W370 Y618 T638 Q639 L645 H646 M677 | I368-L642 HydrophobicContact CD1-CD1 4.1Å; W370-L642 HydrophobicContact CZ2-CD1 4.21Å; Y618-L642 HydrophobicContact CE1-CD2 4.28Å; T638-L642 HydrophobicContact CG2-CD1 4.31Å; T638-L642 HydrophobicContact CG2-CD2 4.01Å; T638-L642 HydrophobicContact CG2-CG 4.03Å; T638-L642 VanDerWaalsContact O-CG 3.25Å; T638-L642 WeakPolarHBondContact O-CG 3.45Å; T638-L642 PolarHBondContact O-N 2.93Å; Q639-L642 PolarHBondContact O-N 3.48Å; Q639-L642 VanDerWaalsContact O-N 3.16Å; L642-L645 PolarHBondContact O-N 3.14Å; L642-H646 WeakPolarHBondContact O-CB 3.32Å; L642-H646 PolarHBondContact O-N 2.98Å; L642-M677 HydrophobicContact CD1-CE 4.24Å; L642-M677 HydrophobicContact CD1-SD 3.52Å; L642-M677 VanDerWaalsContact CD1-SD 3.52Å; L642-M677 HydrophobicContact CD2-CE 3.53Å; L642-M677 HydrophobicContact CD2-SD 3.46Å; L642-M677 WeakPolarHBondContact CD2-SD 3.36Å; L642-M677 HydrophobicContact CG-SD 4Å |
| 643 | Q | 75.9 | Confident | 70.8 | Confident | 97 Ų | 97 | 61.8 Ų | 61.8 | 45% | 0.453 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | -178.5 | -173.6 | 169.4 | -12.9 | 0 | 0 | 111 | Q639 L645 H646 A647 | Q639-Q643 VanDerWaalsContact O-CB 3.29Å; Q639-Q643 WeakPolarHBondContact O-CB 3.35Å; Q639-Q643 PolarHBondContact O-N 3.46Å; Q643-L645 VanDerWaalsContact C-N 3.34Å; Q643-L645 PolarHBondContact O-N 3.09Å; Q643-H646 PolarHBondContact O-N 3.26Å; Q643-A647 WeakPolarHBondContact O-CB 3.41Å; Q643-A647 PolarHBondContact O-N 3.28Å |
| 644 | S | 73.1 | Confident | 71.2 | Confident | 98 Ų | 98 | 67 Ų | 67 | 69% | 0.685 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.6 | -34.9 | 176 | 49.9 | 0 | 0 | 0 | 0 | 113.6 | L640 Q641 | L640-S644 WeakPolarHBondContact O-CB 3.27Å; L640-S644 PolarHBondContact O-N 3.18Å; L640-S644 PolarHBondContact O-OG 3.09Å; Q641-S644 PolarHBondContact O-OG 2.89Å; Q641-S644 VanDerWaalsContact O-OG 3.13Å |
| 645 | L | 67.4 | Low | 71.9 | Confident | 66 Ų | 66 | 71.6 Ų | 71.6 | 35% | 0.346 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -77.6 | -34.8 | 177.6 | -70.8 | 172 | 0 | 0 | 0 | 113.9 | F616 Y618 Q641 L642 Q643 | F616-L645 HydrophobicContact CE1-CD1 4.45Å; Y618-L645 HydrophobicContact CE1-CD1 3.9Å; Q641-L645 HydrophobicContact CG-CD1 4.12Å; Q641-L645 WeakPolarHBondContact O-CB 3.45Å; Q641-L645 WeakPolarHBondContact O-CD1 3.06Å; Q641-L645 VanDerWaalsContact O-CG 3.24Å; Q641-L645 WeakPolarHBondContact O-CG 3.38Å; Q641-L645 PolarHBondContact O-N 3.48Å; L642-L645 PolarHBondContact O-N 3.14Å; Q643-L645 VanDerWaalsContact C-N 3.34Å; Q643-L645 PolarHBondContact O-N 3.09Å |
| 646 | H | 69.9 | Low | 72.4 | Confident | 9 Ų | 9 | 67.8 Ų | 67.8 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -123.9 | -4.8 | -162.5 | -63 | -62.4 | 0 | 0 | 0 | 116.5 | Y618 L642 Q643 A648 Q649 L676 T679 C680 | Y618-H646 AromaticContact CE1-NE2 3.73Å; Y618-H646 AromaticContact CZ-NE2 3.44Å; Y618-H646 PolarHBondContact OH-NE2 2.9Å; L642-H646 WeakPolarHBondContact O-CB 3.32Å; L642-H646 PolarHBondContact O-N 2.98Å; Q643-H646 PolarHBondContact O-N 3.26Å; H646-A648 PolarHBondContact O-N 3.12Å; H646-A648 VanDerWaalsContact O-N 3.07Å; H646-Q649 PolarHBondContact O-N 2.96Å; H646-L676 HydrophobicContact CB-CB 4.12Å; H646-L676 HydrophobicContact CB-CD1 4.09Å; H646-L676 PolarHBondContact CE1-O 3.03Å; H646-L676 PolarHBondContact ND1-O 3.2Å; H646-T679 PolarHBondContact CE1-OG1 2.89Å; H646-C680 PolarHBondContact CE1-SG 3.11Å |
| 647 | A | 63.1 | Low | 72.8 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 56% | 0.562 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -52.5 | -35.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q643 | Q643-A647 WeakPolarHBondContact O-CB 3.41Å; Q643-A647 PolarHBondContact O-N 3.28Å |
| 648 | A | 58.4 | Low | 73.3 | Confident | 107 Ų | 107 | 72.4 Ų | 72.4 | 88% | 0.884 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -84.4 | -7.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.8 | H646 | H646-A648 PolarHBondContact O-N 3.12Å; H646-A648 VanDerWaalsContact O-N 3.07Å |
| 649 | Q | 62.2 | Low | 73.8 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 36% | 0.36 | 39% | 0.393 | S | S | . | . | G | 310 helix | trans | -98 | -4.7 | -176.3 | -66.6 | -172.7 | 33.8 | 0 | 0 | 113.7 | H646 K651 L676 T679 C680 | H646-Q649 PolarHBondContact O-N 2.96Å; Q649-K651 PolarHBondContact O-N 2.66Å; Q649-K651 VanDerWaalsContact O-N 3.13Å; Q649-L676 HydrophobicContact CB-CD1 3.9Å; Q649-L676 HydrophobicContact CB-CD2 4.05Å; Q649-T679 PolarHBondContact OE1-OG1 2.61Å; Q649-C680 PolarHBondContact NE2-SG 3.45Å; Q649-C680 VanDerWaalsContact NE2-SG 3.36Å |
| 650 | R | 68.1 | Low | 74 | Confident | 70 Ų | 70 | 72.2 Ų | 72.2 | 26% | 0.264 | 39% | 0.393 | S | S | . | . | trans | -65.3 | 112.4 | 176.7 | -179.7 | 177.4 | -64.8 | 149.8 | 7.4 | 110.5 | I671 D673 | R650-I671 PolarHBondContact NH2-O 2.98Å; R650-D673 IonicContact CZ-OD1 3.63Å; R650-D673 IonicContact CZ-OD2 2.63Å; R650-D673 IonicContact NE-OD1 2.67Å; R650-D673 PolarHBondContact NE-OD1 2.91Å; R650-D673 VanDerWaalsContact NE-OD1 3.12Å; R650-D673 IonicContact NE-OD2 3.64Å; R650-D673 PolarHBondContact NE-OD2 3.03Å; R650-D673 IonicContact NH2-OD1 2.74Å; R650-D673 IonicContact NH2-OD2 2.61Å; R650-D673 PolarHBondContact NH2-OD2 2.87Å | ||
| 651 | K | 66.3 | Low | 74.4 | Confident | 169 Ų | 169 | 70 Ų | 70 | 74% | 0.735 | 39% | 0.388 | S | S | * | . | trans | -67.7 | 146.9 | 157.2 | -61.9 | 175.9 | -177.1 | 176.4 | 0 | 107.6 | R363 Q649 | R363-K651 PolarHBondContact NH2-O 2.67Å; Q649-K651 PolarHBondContact O-N 2.66Å; Q649-K651 VanDerWaalsContact O-N 3.13Å | ||
| 652 | S | 67.6 | Low | 75 | Confident | 53 Ų | 53 | 69.8 Ų | 69.8 | 37% | 0.371 | 39% | 0.385 | S | S | . | . | trans | -145.8 | 170.9 | 174.4 | 64.8 | 0 | 0 | 0 | 0 | 112 | R363 D657 | R363-S652 PolarHBondContact NH1-O 3.12Å; R363-S652 VanDerWaalsContact NH1-O 3.1Å; S652-D657 VanDerWaalsContact CB-CG 3.43Å; S652-D657 WeakPolarHBondContact CB-OD1 3.3Å; S652-D657 WeakPolarHBondContact CB-OD2 3.43Å; S652-D657 PolarHBondContact OG-OD1 3.17Å; S652-D657 PolarHBondContact OG-OD2 3.04Å | ||
| 653 | D | 76.2 | Confident | 75.5 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 32% | 0.316 | 39% | 0.385 | S | S | . | . | trans | -124.7 | 147.2 | 171 | -50.1 | -20 | 0 | 0 | 0 | 105.1 | R363 N578 K655 L656 D657 | R363-D653 IonicContact CZ-OD1 2.74Å; R363-D653 IonicContact NH1-OD1 2.73Å; R363-D653 PolarHBondContact NH1-OD1 2.92Å; N578-D653 PolarHBondContact ND2-OD2 3.29Å; D653-K655 VanDerWaalsContact C-N 3.28Å; D653-K655 PolarHBondContact O-N 2.62Å; D653-K655 VanDerWaalsContact O-N 3.14Å; D653-L656 HydrophobicContact CB-CB 4.21Å; D653-L656 WeakPolarHBondContact O-CA 3.38Å; D653-L656 VanDerWaalsContact O-CB 3.23Å; D653-L656 WeakPolarHBondContact O-CB 3.27Å; D653-L656 PolarHBondContact O-N 3.16Å; D653-D657 PolarHBondContact O-N 3.1Å | ||
| 654 | T | 79.8 | Confident | 75.9 | Confident | 108 Ų | 108 | 70.5 Ų | 70.5 | 66% | 0.663 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -54.4 | -42.2 | -174.8 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | L656 D657 E658 | T654-L656 VanDerWaalsContact C-N 3.26Å; T654-L656 PolarHBondContact O-N 3.01Å; T654-D657 PolarHBondContact O-N 2.63Å; T654-D657 VanDerWaalsContact O-N 3.16Å; T654-E658 WeakPolarHBondContact O-CG 2.97Å; T654-E658 PolarHBondContact O-N 3.37Å |
| 655 | K | 80 | Confident | 76.5 | Confident | 164 Ų | 164 | 70 Ų | 70 | 71% | 0.713 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64.3 | -27.3 | 174.7 | -62.8 | -172.5 | 177 | -171.4 | 0 | 113.8 | D653 H659 | D653-K655 VanDerWaalsContact C-N 3.28Å; D653-K655 PolarHBondContact O-N 2.62Å; D653-K655 VanDerWaalsContact O-N 3.14Å; K655-H659 VanDerWaalsContact O-CB 3.31Å; K655-H659 WeakPolarHBondContact O-CB 3.2Å; K655-H659 PolarHBondContact O-N 3.5Å |
| 656 | L | 81.3 | Confident | 77.3 | Confident | 14 Ų | 14 | 69.1 Ų | 69.1 | 7% | 0.073 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.5 | -39.3 | 173.9 | -173.2 | 73.8 | 0 | 0 | 0 | 110.3 | N365 V580 D653 T654 H659 I660 | N365-L656 WeakPolarHBondContact ND2-CD2 3.28Å; V580-L656 HydrophobicContact CG2-CD1 3.89Å; D653-L656 HydrophobicContact CB-CB 4.21Å; D653-L656 WeakPolarHBondContact O-CA 3.38Å; D653-L656 VanDerWaalsContact O-CB 3.23Å; D653-L656 WeakPolarHBondContact O-CB 3.27Å; D653-L656 PolarHBondContact O-N 3.16Å; T654-L656 VanDerWaalsContact C-N 3.26Å; T654-L656 PolarHBondContact O-N 3.01Å; L656-H659 CarbonylContact O-C 3.59Å; L656-H659 PolarHBondContact O-N 3.12Å; L656-I660 HydrophobicContact CD2-CD1 4.29Å; L656-I660 HydrophobicContact CG-CD1 3.92Å; L656-I660 HydrophobicContact CG-CG1 4.48Å; L656-I660 WeakPolarHBondContact O-CB 3.37Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.32Å; L656-I660 PolarHBondContact O-N 3.33Å |
| 657 | D | 83.1 | Confident | 77.4 | Confident | 62 Ų | 62 | 70.6 Ų | 70.6 | 33% | 0.332 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.2 | -41.2 | 178.4 | -65.3 | -40.4 | 0 | 0 | 0 | 112 | S652 D653 T654 H659 I660 A661 | S652-D657 VanDerWaalsContact CB-CG 3.43Å; S652-D657 WeakPolarHBondContact CB-OD1 3.3Å; S652-D657 WeakPolarHBondContact CB-OD2 3.43Å; S652-D657 PolarHBondContact OG-OD1 3.17Å; S652-D657 PolarHBondContact OG-OD2 3.04Å; D653-D657 PolarHBondContact O-N 3.1Å; T654-D657 PolarHBondContact O-N 2.63Å; T654-D657 VanDerWaalsContact O-N 3.16Å; D657-H659 VanDerWaalsContact C-N 3.27Å; D657-H659 PolarHBondContact O-N 3.36Å; D657-I660 PolarHBondContact O-N 2.68Å; D657-A661 WeakPolarHBondContact O-CB 3.36Å; D657-A661 PolarHBondContact O-N 3.25Å |
| 658 | E | 85.3 | Confident | 78.4 | Confident | 121 Ų | 121 | 68.4 Ų | 68.4 | 57% | 0.565 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -54.1 | -44.3 | 167.8 | -73.1 | 166.6 | -154.2 | 0 | 0 | 111.7 | T654 Y662 | T654-E658 WeakPolarHBondContact O-CG 2.97Å; T654-E658 PolarHBondContact O-N 3.37Å; E658-Y662 PolarHBondContact O-N 3.43Å; E658-Y662 VanDerWaalsContact O-N 3.12Å |
| 659 | H | 85.2 | Confident | 79.4 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -70.4 | -40.1 | 178.3 | -173.8 | 96.6 | 0 | 0 | 0 | 111.9 | E475 Y582 K655 L656 D657 Y662 L663 | E475-H659 IonicContact OE1-CE1 3.28Å; E475-H659 IonicContact OE1-CG 3.44Å; E475-H659 IonicContact OE1-ND1 3.03Å; E475-H659 PolarHBondContact OE1-ND1 2.97Å; E475-H659 IonicContact OE2-CE1 3.32Å; E475-H659 IonicContact OE2-ND1 2.73Å; E475-H659 PolarHBondContact OE2-ND1 2.7Å; Y582-H659 AromaticContact CE1-NE2 3.71Å; Y582-H659 AromaticContact CZ-NE2 3.62Å; Y582-H659 PolarHBondContact OH-CE1 3.25Å; Y582-H659 PolarHBondContact OH-NE2 2.78Å; K655-H659 VanDerWaalsContact O-CB 3.31Å; K655-H659 WeakPolarHBondContact O-CB 3.2Å; K655-H659 PolarHBondContact O-N 3.5Å; L656-H659 CarbonylContact O-C 3.59Å; L656-H659 PolarHBondContact O-N 3.12Å; D657-H659 VanDerWaalsContact C-N 3.27Å; D657-H659 PolarHBondContact O-N 3.36Å; H659-Y662 WeakPolarHBondContact O-CB 3.5Å; H659-Y662 PolarHBondContact O-N 2.88Å; H659-L663 WeakPolarHBondContact O-CG 3.45Å; H659-L663 PolarHBondContact O-N 2.96Å |
| 660 | I | 84.8 | Confident | 80.4 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 4% | 0.041 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.6 | -78 | 169.1 | 0 | 0 | 0 | 111 | L656 D657 Y662 L663 Q664 I671 | L656-I660 HydrophobicContact CD2-CD1 4.29Å; L656-I660 HydrophobicContact CG-CD1 3.92Å; L656-I660 HydrophobicContact CG-CG1 4.48Å; L656-I660 WeakPolarHBondContact O-CB 3.37Å; L656-I660 VanDerWaalsContact O-CG1 3.27Å; L656-I660 WeakPolarHBondContact O-CG1 3.32Å; L656-I660 PolarHBondContact O-N 3.33Å; D657-I660 PolarHBondContact O-N 2.68Å; I660-Y662 VanDerWaalsContact C-N 3.34Å; I660-Y662 PolarHBondContact O-N 3.15Å; I660-L663 PolarHBondContact O-N 3.31Å; I660-Q664 WeakPolarHBondContact O-CG 3.4Å; I660-Q664 PolarHBondContact O-N 2.77Å; I660-I671 HydrophobicContact CG2-CD1 4.09Å |
| 661 | A | 85.3 | Confident | 81.3 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 44% | 0.438 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.8 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D657 Q664 S665 | D657-A661 WeakPolarHBondContact O-CB 3.36Å; D657-A661 PolarHBondContact O-N 3.25Å; A661-Q664 PolarHBondContact O-N 3.37Å; A661-S665 PolarHBondContact O-N 3.28Å; A661-S665 VanDerWaalsContact O-N 3.12Å |
| 662 | Y | 87.6 | Confident | 82.1 | Confident | 56 Ų | 56 | 50.8 Ų | 50.8 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 170.3 | 169.8 | -100.6 | 0 | 0 | 0 | 112 | D467 R471 E658 H659 I660 Q664 S665 L666 | D467-Y662 PolarHBondContact O-OH 3.12Å; D467-Y662 VanDerWaalsContact O-OH 3.11Å; R471-Y662 HydrophobicContact CB-CD1 4.33Å; R471-Y662 HydrophobicContact CB-CE1 3.52Å; R471-Y662 HydrophobicContact CG-CD1 3.81Å; R471-Y662 HydrophobicContact CG-CE1 3.52Å; E658-Y662 PolarHBondContact O-N 3.43Å; E658-Y662 VanDerWaalsContact O-N 3.12Å; H659-Y662 WeakPolarHBondContact O-CB 3.5Å; H659-Y662 PolarHBondContact O-N 2.88Å; I660-Y662 VanDerWaalsContact C-N 3.34Å; I660-Y662 PolarHBondContact O-N 3.15Å; Y662-Q664 VanDerWaalsContact C-N 3.3Å; Y662-Q664 PolarHBondContact O-N 3.43Å; Y662-S665 WeakPolarHBondContact O-CB 3.34Å; Y662-S665 PolarHBondContact O-N 2.88Å; Y662-S665 PolarHBondContact O-OG 3.25Å; Y662-L666 HydrophobicContact CE1-CD1 3.86Å; Y662-L666 HydrophobicContact CE1-CG 4.35Å; Y662-L666 HydrophobicContact CE2-CD2 4.29Å; Y662-L666 PolarHBondContact O-N 2.7Å |
| 663 | L | 85.8 | Confident | 82.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 176.9 | -62.2 | -174.4 | 0 | 0 | 0 | 112.4 | I369 F464 L468 Y582 H659 I660 S665 L666 I668 I671 | I369-L663 HydrophobicContact CD1-CD1 3.97Å; F464-L663 HydrophobicContact CE2-CD2 4.14Å; F464-L663 HydrophobicContact CZ-CD2 3.96Å; L468-L663 HydrophobicContact CD1-CD2 3.87Å; Y582-L663 HydrophobicContact CD1-CD1 4.25Å; Y582-L663 HydrophobicContact CE1-CD1 3.93Å; H659-L663 WeakPolarHBondContact O-CG 3.45Å; H659-L663 PolarHBondContact O-N 2.96Å; I660-L663 PolarHBondContact O-N 3.31Å; L663-S665 VanDerWaalsContact C-N 3.28Å; L663-S665 PolarHBondContact O-N 2.78Å; L663-L666 HydrophobicContact CD2-CD1 4.24Å; L663-L666 WeakPolarHBondContact O-CB 3.45Å; L663-L666 PolarHBondContact O-N 2.86Å; L663-L666 VanDerWaalsContact O-N 3.15Å; L663-I668 HydrophobicContact CB-CD1 4.21Å; L663-I668 VanDerWaalsContact O-CD1 3.32Å; L663-I668 WeakPolarHBondContact O-CD1 3.37Å; L663-I668 WeakPolarHBondContact O-CG1 3.14Å; L663-I671 HydrophobicContact CB-CD1 3.83Å; L663-I671 HydrophobicContact CD1-CD1 4.16Å |
| 664 | Q | 83.6 | Confident | 83 | Confident | 115 Ų | 115 | 47.2 Ų | 47.2 | 54% | 0.537 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.8 | -34.1 | 173.6 | -71.9 | 174.1 | -31.1 | 0 | 0 | 112.2 | I660 A661 Y662 L666 G667 I671 | I660-Q664 WeakPolarHBondContact O-CG 3.4Å; I660-Q664 PolarHBondContact O-N 2.77Å; A661-Q664 PolarHBondContact O-N 3.37Å; Y662-Q664 VanDerWaalsContact C-N 3.3Å; Y662-Q664 PolarHBondContact O-N 3.43Å; Q664-L666 PolarHBondContact O-N 3.07Å; Q664-G667 PolarHBondContact O-N 3.11Å; Q664-I671 HydrophobicContact CG-CD1 4.31Å |
| 665 | S | 86.3 | Confident | 82.7 | Confident | 87 Ų | 87 | 44.5 Ų | 44.5 | 61% | 0.608 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -67.1 | -17.2 | 175 | 79.4 | 0 | 0 | 0 | 0 | 114.3 | A661 Y662 L663 G667 | A661-S665 PolarHBondContact O-N 3.28Å; A661-S665 VanDerWaalsContact O-N 3.12Å; Y662-S665 WeakPolarHBondContact O-CB 3.34Å; Y662-S665 PolarHBondContact O-N 2.88Å; Y662-S665 PolarHBondContact O-OG 3.25Å; L663-S665 VanDerWaalsContact C-N 3.28Å; L663-S665 PolarHBondContact O-N 2.78Å; S665-G667 PolarHBondContact O-N 3.48Å |
| 666 | L | 82.8 | Confident | 82.2 | Confident | 49 Ų | 49 | 37.9 Ų | 37.9 | 26% | 0.257 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 11.4 | 176.6 | -59.9 | 177.7 | 0 | 0 | 0 | 113.9 | F464 D467 Y662 L663 Q664 I668 | F464-L666 HydrophobicContact CD2-CB 4.13Å; F464-L666 HydrophobicContact CD2-CD1 3.87Å; F464-L666 HydrophobicContact CE2-CB 4.34Å; F464-L666 HydrophobicContact CE2-CD1 3.74Å; D467-L666 HydrophobicContact CB-CD1 4.48Å; D467-L666 HydrophobicContact CB-CD2 4.08Å; Y662-L666 HydrophobicContact CE1-CD1 3.86Å; Y662-L666 HydrophobicContact CE1-CG 4.35Å; Y662-L666 HydrophobicContact CE2-CD2 4.29Å; Y662-L666 PolarHBondContact O-N 2.7Å; L663-L666 HydrophobicContact CD2-CD1 4.24Å; L663-L666 WeakPolarHBondContact O-CB 3.45Å; L663-L666 PolarHBondContact O-N 2.86Å; L663-L666 VanDerWaalsContact O-N 3.15Å; Q664-L666 PolarHBondContact O-N 3.07Å; L666-I668 VanDerWaalsContact C-N 3.3Å; L666-I668 PolarHBondContact O-N 3.47Å |
| 667 | G | 73.3 | Confident | 81.6 | Confident | 39 Ų | 39 | 37.2 Ų | 37.2 | 40% | 0.402 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 17.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | R372 Q664 S665 | R372-G667 PolarHBondContact NE-O 3.48Å; R372-G667 PolarHBondContact NH2-O 3.47Å; Q664-G667 PolarHBondContact O-N 3.11Å; S665-G667 PolarHBondContact O-N 3.48Å |
| 668 | I | 84.7 | Confident | 80.6 | Confident | 22 Ų | 22 | 34.4 Ų | 34.4 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | trans | -60.2 | 157.1 | 171.3 | 61.8 | 178 | 0 | 0 | 0 | 111.7 | I369 F464 L663 L666 I671 | I369-I668 HydrophobicContact CG2-CB 4.37Å; I369-I668 HydrophobicContact CG2-CD1 4.34Å; I369-I668 HydrophobicContact CG2-CG2 3.79Å; F464-I668 HydrophobicContact CD2-CG2 3.56Å; F464-I668 HydrophobicContact CE2-CG2 3.57Å; L663-I668 HydrophobicContact CB-CD1 4.21Å; L663-I668 VanDerWaalsContact O-CD1 3.32Å; L663-I668 WeakPolarHBondContact O-CD1 3.37Å; L663-I668 WeakPolarHBondContact O-CG1 3.14Å; L666-I668 VanDerWaalsContact C-N 3.3Å; L666-I668 PolarHBondContact O-N 3.47Å; I668-I671 HydrophobicContact CD1-CD1 3.68Å; I668-I671 HydrophobicContact CD1-CG1 3.43Å; I668-I671 VanDerWaalsContact CD1-CG1 3.43Å | ||
| 669 | A | 78.8 | Confident | 79.3 | Confident | 29 Ų | 29 | 31.3 Ų | 31.3 | 24% | 0.24 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -71.2 | -33.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | W370 R372 C587 Q639 | W370-A669 HydrophobicContact CB-CB 4Å; W370-A669 PolarHBondContact O-N 2.73Å; R372-A669 HydrophobicContact CG-CB 3.95Å; C587-A669 VanDerWaalsContact SG-CB 3.56Å; Q639-A669 PolarHBondContact NE2-O 3.44Å; Q639-A669 VanDerWaalsContact OE1-C 3.29Å; Q639-A669 PolarHBondContact OE1-O 2.88Å |
| 670 | G | 83.3 | Confident | 77.8 | Confident | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 168.6 | -174.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | W370 | W370-G670 PolarHBondContact N-O 2.95Å; W370-G670 VanDerWaalsContact N-O 3.07Å |
| 671 | I | 85.5 | Confident | 76.2 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.051 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.9 | -177.9 | -57.2 | 173.6 | 0 | 0 | 0 | 110.1 | L367 I368 I369 R650 I660 L663 Q664 I668 | L367-I671 HydrophobicContact CB-CG2 4.4Å; L367-I671 HydrophobicContact CD2-CG2 4.19Å; I368-I671 WeakPolarHBondContact O-CA 3.36Å; I369-I671 HydrophobicContact CD1-CD1 4.32Å; I369-I671 HydrophobicContact CD1-CG1 3.99Å; I369-I671 HydrophobicContact CD1-CG2 4.32Å; R650-I671 PolarHBondContact NH2-O 2.98Å; I660-I671 HydrophobicContact CG2-CD1 4.09Å; L663-I671 HydrophobicContact CB-CD1 3.83Å; L663-I671 HydrophobicContact CD1-CD1 4.16Å; Q664-I671 HydrophobicContact CG-CD1 4.31Å; I668-I671 HydrophobicContact CD1-CD1 3.68Å; I668-I671 HydrophobicContact CD1-CG1 3.43Å; I668-I671 VanDerWaalsContact CD1-CG1 3.43Å |
| 672 | S | 84.4 | Confident | 74.4 | Confident | 4 Ų | 4 | 36.5 Ų | 36.5 | 3% | 0.028 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 153.3 | 175.1 | -49.1 | 0 | 0 | 0 | 0 | 110.9 | I368 W370 | I368-S672 WeakPolarHBondContact CB-O 3.46Å; I368-S672 PolarHBondContact N-O 3.02Å; I368-S672 PolarHBondContact O-N 2.88Å; I368-S672 VanDerWaalsContact O-N 3.11Å; W370-S672 PolarHBondContact NE1-OG 3.41Å |
| 673 | D | 82.2 | Confident | 72.4 | Confident | 23 Ų | 23 | 35.8 Ų | 35.8 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 121.1 | -178.9 | -53.5 | -106.3 | 0 | 0 | 0 | 110.7 | R650 D675 L676 | R650-D673 IonicContact CZ-OD1 3.63Å; R650-D673 IonicContact CZ-OD2 2.63Å; R650-D673 IonicContact NE-OD1 2.67Å; R650-D673 PolarHBondContact NE-OD1 2.91Å; R650-D673 VanDerWaalsContact NE-OD1 3.12Å; R650-D673 IonicContact NE-OD2 3.64Å; R650-D673 PolarHBondContact NE-OD2 3.03Å; R650-D673 IonicContact NH2-OD1 2.74Å; R650-D673 IonicContact NH2-OD2 2.61Å; R650-D673 PolarHBondContact NH2-OD2 2.87Å; D673-D675 PolarHBondContact O-N 2.91Å; D673-L676 HydrophobicContact CB-CB 4.29Å; D673-L676 HydrophobicContact CB-CD1 3.77Å; D673-L676 HydrophobicContact CB-CG 3.87Å; D673-L676 PolarHBondContact O-N 3.48Å |
| 674 | H | 80.2 | Confident | 70.4 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.065 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -34 | -176.6 | -178.2 | 68.1 | 0 | 0 | 0 | 113.1 | D366 I368 Y595 L676 M677 Y678 | D366-H674 HydrophobicContact CB-CB 4.06Å; D366-H674 PolarHBondContact O-N 2.83Å; D366-H674 IonicContact OD2-CD2 2.97Å; I368-H674 HydrophobicContact CD1-CB 4.04Å; I368-H674 HydrophobicContact CG1-CB 4.11Å; Y595-H674 AromaticContact CE2-CE1 3.92Å; Y595-H674 AromaticContact CE2-ND1 3.59Å; Y595-H674 AromaticContact CZ-ND1 3.7Å; Y595-H674 PolarHBondContact OH-ND1 3.39Å; H674-L676 VanDerWaalsContact C-N 3.34Å; H674-L676 PolarHBondContact O-N 3.29Å; H674-M677 VanDerWaalsContact O-CB 3.3Å; H674-M677 WeakPolarHBondContact O-CB 3.36Å; H674-M677 VanDerWaalsContact O-CG 3.28Å; H674-M677 WeakPolarHBondContact O-CG 3.27Å; H674-M677 PolarHBondContact O-N 3.48Å; H674-Y678 WeakPolarHBondContact O-CE2 3.44Å |
| 675 | D | 72.9 | Confident | 68.5 | Low | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | G | 310 helix | trans | -72.5 | -25.4 | -178.7 | -68.2 | -49.1 | 0 | 0 | 0 | 113.3 | K364 D366 D673 M677 | K364-D675 WeakPolarHBondContact CE-OD2 3.48Å; K364-D675 IonicContact NZ-OD1 3.21Å; K364-D675 PolarHBondContact NZ-OD1 2.67Å; K364-D675 IonicContact NZ-OD2 2.88Å; K364-D675 PolarHBondContact NZ-OD2 3.47Å; D366-D675 VanDerWaalsContact CB-OD2 3.31Å; D366-D675 WeakPolarHBondContact CB-OD2 3.29Å; D673-D675 PolarHBondContact O-N 2.91Å; D675-M677 VanDerWaalsContact C-N 3.29Å; D675-M677 PolarHBondContact O-N 3.03Å |
| 676 | L | 70.7 | Confident | 66.8 | Low | 25 Ų | 25 | 46.3 Ų | 46.3 | 13% | 0.131 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -74.6 | -18 | 177.7 | -62.4 | -178.6 | 0 | 0 | 0 | 112.8 | H646 Q649 D673 H674 Y678 T679 | H646-L676 HydrophobicContact CB-CB 4.12Å; H646-L676 HydrophobicContact CB-CD1 4.09Å; H646-L676 PolarHBondContact CE1-O 3.03Å; H646-L676 PolarHBondContact ND1-O 3.2Å; Q649-L676 HydrophobicContact CB-CD1 3.9Å; Q649-L676 HydrophobicContact CB-CD2 4.05Å; D673-L676 HydrophobicContact CB-CB 4.29Å; D673-L676 HydrophobicContact CB-CD1 3.77Å; D673-L676 HydrophobicContact CB-CG 3.87Å; D673-L676 PolarHBondContact O-N 3.48Å; H674-L676 VanDerWaalsContact C-N 3.34Å; H674-L676 PolarHBondContact O-N 3.29Å; L676-Y678 PolarHBondContact O-N 2.98Å; L676-T679 HydrophobicContact CD2-CG2 4.12Å; L676-T679 PolarHBondContact O-N 2.98Å; L676-T679 VanDerWaalsContact O-N 3.11Å; L676-T679 PolarHBondContact O-OG1 2.9Å |
| 677 | M | 67.3 | Low | 65.2 | Low | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -52.7 | -18.3 | 175.2 | -66.2 | -59.3 | -66.7 | 0 | 0 | 114.4 | V599 Y618 L642 H674 D675 | V599-M677 HydrophobicContact CG1-CE 3.77Å; V599-M677 HydrophobicContact CG2-CE 4.19Å; Y618-M677 HydrophobicContact CD1-CE 4.01Å; Y618-M677 HydrophobicContact CD2-CE 4Å; Y618-M677 HydrophobicContact CE1-CE 3.63Å; Y618-M677 HydrophobicContact CE1-SD 4.49Å; Y618-M677 HydrophobicContact CE2-CE 3.62Å; Y618-M677 WeakPolarHBondContact CE2-O 3.46Å; Y618-M677 HydrophobicContact CG-CE 4.19Å; Y618-M677 VanDerWaalsContact CZ-CE 3.42Å; Y618-M677 PolarHBondContact OH-O 3.48Å; L642-M677 HydrophobicContact CD1-CE 4.24Å; L642-M677 HydrophobicContact CD1-SD 3.52Å; L642-M677 VanDerWaalsContact CD1-SD 3.52Å; L642-M677 HydrophobicContact CD2-CE 3.53Å; L642-M677 HydrophobicContact CD2-SD 3.46Å; L642-M677 WeakPolarHBondContact CD2-SD 3.36Å; L642-M677 HydrophobicContact CG-SD 4Å; H674-M677 VanDerWaalsContact O-CB 3.3Å; H674-M677 WeakPolarHBondContact O-CB 3.36Å; H674-M677 VanDerWaalsContact O-CG 3.28Å; H674-M677 WeakPolarHBondContact O-CG 3.27Å; H674-M677 PolarHBondContact O-N 3.48Å; D675-M677 VanDerWaalsContact C-N 3.29Å; D675-M677 PolarHBondContact O-N 3.03Å |
| 678 | Y | 63.7 | Low | 63.9 | Low | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -125.1 | 28.1 | -174.5 | -39.9 | -83.1 | 0 | 0 | 0 | 112.6 | V599 D602 R606 K612 H674 L676 | V599-Y678 HydrophobicContact CG1-CE1 4.26Å; D602-Y678 HydrophobicContact CB-CE1 4.16Å; D602-Y678 VanDerWaalsContact OD2-CZ 3.23Å; D602-Y678 PolarHBondContact OD2-OH 3.42Å; R606-Y678 VanDerWaalsContact NH2-CD2 3.29Å; R606-Y678 VanDerWaalsContact NH2-CE2 3.26Å; K612-Y678 WeakPolarHBondContact CD-O 3.46Å; K612-Y678 WeakPolarHBondContact CE-O 3.42Å; K612-Y678 PolarHBondContact NZ-O 3.48Å; H674-Y678 WeakPolarHBondContact O-CE2 3.44Å; L676-Y678 PolarHBondContact O-N 2.98Å |
| 679 | T | 57.9 | Low | 62.2 | Low | 55 Ų | 55 | 62.6 Ų | 62.6 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | trans | -102.8 | -18.4 | 177.2 | 50.1 | 0 | 0 | 0 | 0 | 115.3 | H646 Q649 L676 | H646-T679 PolarHBondContact CE1-OG1 2.89Å; Q649-T679 PolarHBondContact OE1-OG1 2.61Å; L676-T679 HydrophobicContact CD2-CG2 4.12Å; L676-T679 PolarHBondContact O-N 2.98Å; L676-T679 VanDerWaalsContact O-N 3.11Å; L676-T679 PolarHBondContact O-OG1 2.9Å | ||
| 680 | C | 52.2 | Low | 61.1 | Low | 39 Ų | 39 | 63 Ų | 63 | 26% | 0.264 | 33% | 0.328 | S | S | . | . | trans | -97.6 | 102.2 | -178.1 | -62 | 0 | 0 | 0 | 0 | 112 | H646 Q649 | H646-C680 PolarHBondContact CE1-SG 3.11Å; Q649-C680 PolarHBondContact NE2-SG 3.45Å; Q649-C680 VanDerWaalsContact NE2-SG 3.36Å | ||
| 681 | D | 50.8 | Low | 59.7 | Low | 69 Ų | 69 | 67.8 Ų | 67.8 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | B | Isolated β-bridge | trans | -81.1 | 132.7 | 170.5 | -68.3 | 3.2 | 0 | 0 | 0 | 109.7 | K613 S683 | K613-D681 WeakPolarHBondContact O-CB 3.44Å; D681-S683 VanDerWaalsContact C-N 3.31Å; D681-S683 PolarHBondContact O-N 3.17Å |
| 682 | L | 47.8 | Very low | 58.2 | Low | 65 Ų | 65 | 76.1 Ų | 76.1 | 34% | 0.34 | 40% | 0.395 | S | S | . | . | trans | -83.4 | 4.6 | -177.2 | -84.9 | 168.5 | 0 | 0 | 0 | 115 | F616 I684 K685 | F616-L682 HydrophobicContact CD2-CD1 3.79Å; F616-L682 HydrophobicContact CD2-CD2 4.19Å; F616-L682 HydrophobicContact CD2-CG 3.9Å; F616-L682 HydrophobicContact CE2-CD1 4.02Å; F616-L682 HydrophobicContact CE2-CD2 4.04Å; F616-L682 HydrophobicContact CE2-CG 4.21Å; L682-I684 PolarHBondContact O-N 2.83Å; L682-K685 PolarHBondContact O-N 3.07Å | ||
| 683 | S | 46.1 | Very low | 56.9 | Low | 42 Ų | 42 | 79.9 Ų | 79.9 | 29% | 0.294 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.9 | -24.5 | -163.4 | 54.4 | 0 | 0 | 0 | 0 | 116.1 | D681 K685 | D681-S683 VanDerWaalsContact C-N 3.31Å; D681-S683 PolarHBondContact O-N 3.17Å; S683-K685 VanDerWaalsContact C-N 3.32Å; S683-K685 PolarHBondContact O-N 3.23Å |
| 684 | I | 44 | Very low | 56.2 | Low | 154 Ų | 154 | 81.2 Ų | 81.2 | 79% | 0.79 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -77.8 | -12.2 | -170.1 | -59.7 | 176.3 | 0 | 0 | 0 | 113.2 | L682 | L682-I684 PolarHBondContact O-N 2.83Å |
| 685 | K | 43.5 | Very low | 56 | Low | 184 Ų | 184 | 85.9 Ų | 85.9 | 80% | 0.8 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -121.8 | -13.1 | -173 | -71.6 | -166.7 | 175 | -172.3 | 0 | 117.5 | L682 S683 | L682-K685 PolarHBondContact O-N 3.07Å; S683-K685 VanDerWaalsContact C-N 3.32Å; S683-K685 PolarHBondContact O-N 3.23Å |
| 686 | E | 49.6 | Very low | 56.4 | Low | 85 Ų | 85 | 90 Ų | 90 | 40% | 0.397 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -105.6 | -3.3 | -177.1 | -60.5 | -165.3 | 147.3 | 0 | 0 | 114.3 | K307 | K307-E686 WeakPolarHBondContact CD-OE2 3.26Å; K307-E686 IonicContact NZ-OE1 2.58Å; K307-E686 PolarHBondContact NZ-OE1 3.13Å; K307-E686 IonicContact NZ-OE2 2.61Å |
| 687 | E | 49.4 | Very low | 56.9 | Low | 151 Ų | 151 | 89.3 Ų | 89.3 | 71% | 0.706 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -84.1 | -5.8 | -173.8 | -69 | -172.9 | 167 | 0 | 0 | 115.2 | ||
| 688 | L | 47 | Very low | 57.7 | Low | 147 Ų | 147 | 94.5 Ų | 94.5 | 77% | 0.77 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -88.8 | -23.7 | -166.5 | -76.4 | 167.1 | 0 | 0 | 0 | 116.4 | ||
| 689 | D | 47.7 | Very low | 58.7 | Low | 154 Ų | 154 | 99.2 Ų | 99.2 | 82% | 0.824 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -101.1 | -4.7 | -170.4 | -63.6 | -36.8 | 0 | 0 | 0 | 114.7 | V691 | D689-V691 PolarHBondContact O-N 3.08Š|
| 690 | V | 55.7 | Low | 60 | Low | 36 Ų | 36 | 98.7 Ų | 98.7 | 22% | 0.218 | 49% | 0.492 | C | S | . | . | trans | -96.4 | 54.6 | -162.5 | -164.2 | 0 | 0 | 0 | 0 | 113.2 | A308 E693 I697 | A308-V690 HydrophobicContact CB-CG1 4.07Å; V690-E693 HydrophobicContact CG1-CB 4Å; V690-I697 HydrophobicContact CG1-CD1 4.39Å | ||
| 691 | V | 55.6 | Low | 61.7 | Low | 111 Ų | 111 | 97.8 Ų | 97.8 | 67% | 0.673 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -84.8 | -54.8 | -178.8 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | D689 S694 | D689-V691 PolarHBondContact O-N 3.08Å; V691-S694 VanDerWaalsContact O-CB 3.31Å; V691-S694 WeakPolarHBondContact O-CB 3.33Å; V691-S694 PolarHBondContact O-N 2.91Å; V691-S694 PolarHBondContact O-OG 3.49Å |
| 692 | E | 52.9 | Low | 63.4 | Low | 186 Ų | 186 | 99.9 Ų | 99.9 | 87% | 0.869 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -35.1 | -174.5 | -65.9 | -169.3 | 125.6 | 0 | 0 | 113.4 | S694 | E692-S694 PolarHBondContact O-N 3.4Š|
| 693 | E | 58 | Low | 65.3 | Low | 82 Ų | 82 | 101.6 Ų | 101.6 | 38% | 0.383 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -17.8 | 178.3 | -59.5 | -173.5 | 125.9 | 0 | 0 | 113 | G305 V690 H695 Y696 I697 | G305-E693 VanDerWaalsContact CA-CD 3.46Å; G305-E693 WeakPolarHBondContact CA-OE1 3.41Å; G305-E693 WeakPolarHBondContact CA-OE2 3.44Å; G305-E693 PolarHBondContact N-OE2 2.69Å; V690-E693 HydrophobicContact CG1-CB 4Å; E693-H695 VanDerWaalsContact C-N 3.34Å; E693-H695 PolarHBondContact O-N 3.03Å; E693-Y696 PolarHBondContact O-N 3.46Å; E693-I697 HydrophobicContact CB-CD1 4.09Å; E693-I697 VanDerWaalsContact O-CG1 3.31Å; E693-I697 WeakPolarHBondContact O-CG1 3.29Å; E693-I697 PolarHBondContact O-N 3.04Å |
| 694 | S | 66.3 | Low | 67.2 | Low | 51 Ų | 51 | 99.6 Ų | 99.6 | 36% | 0.357 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58 | -40.8 | -173.1 | 68 | 0 | 0 | 0 | 0 | 113.5 | V691 E692 I697 Q698 | V691-S694 VanDerWaalsContact O-CB 3.31Å; V691-S694 WeakPolarHBondContact O-CB 3.33Å; V691-S694 PolarHBondContact O-N 2.91Å; V691-S694 PolarHBondContact O-OG 3.49Å; E692-S694 PolarHBondContact O-N 3.4Å; S694-I697 PolarHBondContact O-N 3.4Å; S694-Q698 VanDerWaalsContact O-CG 3.32Å; S694-Q698 WeakPolarHBondContact O-CG 3.27Å; S694-Q698 PolarHBondContact O-N 3.01Å |
| 695 | H | 76.6 | Confident | 69.2 | Low | 113 Ų | 113 | 95.5 Ų | 95.5 | 52% | 0.523 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -71.7 | -40.5 | -180 | -178.2 | -122.3 | 0 | 0 | 0 | 111.9 | E693 I697 Q698 Q699 | E693-H695 VanDerWaalsContact C-N 3.34Å; E693-H695 PolarHBondContact O-N 3.03Å; H695-I697 VanDerWaalsContact C-N 3.35Å; H695-I697 PolarHBondContact O-N 3.47Å; H695-Q698 PolarHBondContact O-N 3.06Å; H695-Q699 PolarHBondContact CE1-NE2 2.92Å; H695-Q699 PolarHBondContact NE2-NE2 3.36Å; H695-Q699 WeakPolarHBondContact O-CG 3.41Å; H695-Q699 PolarHBondContact O-N 3.21Å |
| 696 | Y | 81.8 | Confident | 71.3 | Confident | 138 Ų | 138 | 93.2 Ų | 93.2 | 54% | 0.541 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 173.2 | 172.8 | -98.1 | 0 | 0 | 0 | 111.2 | L309 E693 Q698 Q699 R700 | L309-Y696 HydrophobicContact CD2-CE1 4.49Å; E693-Y696 PolarHBondContact O-N 3.46Å; Y696-Q698 VanDerWaalsContact C-N 3.34Å; Y696-Q698 PolarHBondContact O-N 3.47Å; Y696-Q699 PolarHBondContact O-N 2.71Å; Y696-R700 HydrophobicContact CD1-CG 4.1Å; Y696-R700 HydrophobicContact CD2-CG 4.46Å; Y696-R700 HydrophobicContact CE1-CG 3.7Å; Y696-R700 HydrophobicContact CE2-CG 4.11Å; Y696-R700 HydrophobicContact CG-CG 4.47Å; Y696-R700 WeakPolarHBondContact O-CB 3.29Å; Y696-R700 VanDerWaalsContact O-CG 3.27Å; Y696-R700 WeakPolarHBondContact O-CG 3.21Å; Y696-R700 PolarHBondContact O-N 3.32Å |
| 697 | I | 81.8 | Confident | 73 | Confident | 10 Ų | 10 | 91.3 Ų | 91.3 | 5% | 0.051 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -61.3 | -42.2 | 177 | -67.5 | 164.2 | 0 | 0 | 0 | 111.1 | A308 L309 K312 V690 E693 S694 H695 R700 V701 | A308-I697 HydrophobicContact CB-CD1 3.64Å; L309-I697 HydrophobicContact CB-CG1 4.13Å; L309-I697 HydrophobicContact CD1-CB 4.38Å; L309-I697 HydrophobicContact CD1-CG1 4.2Å; L309-I697 HydrophobicContact CD1-CG2 4.14Å; K312-I697 HydrophobicContact CB-CG2 3.72Å; K312-I697 HydrophobicContact CG-CG2 3.79Å; V690-I697 HydrophobicContact CG1-CD1 4.39Å; E693-I697 HydrophobicContact CB-CD1 4.09Å; E693-I697 VanDerWaalsContact O-CG1 3.31Å; E693-I697 WeakPolarHBondContact O-CG1 3.29Å; E693-I697 PolarHBondContact O-N 3.04Å; S694-I697 PolarHBondContact O-N 3.4Å; H695-I697 VanDerWaalsContact C-N 3.35Å; H695-I697 PolarHBondContact O-N 3.47Å; I697-R700 PolarHBondContact O-N 2.97Å; I697-V701 WeakPolarHBondContact O-CG2 3.43Å; I697-V701 PolarHBondContact O-N 3.38Å |
| 698 | Q | 83.9 | Confident | 74.7 | Confident | 110 Ų | 110 | 84.4 Ų | 84.4 | 51% | 0.514 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 175.1 | -73.1 | 174.6 | 22 | 0 | 0 | 112.4 | S694 H695 Y696 R700 V701 Q702 | S694-Q698 VanDerWaalsContact O-CG 3.32Å; S694-Q698 WeakPolarHBondContact O-CG 3.27Å; S694-Q698 PolarHBondContact O-N 3.01Å; H695-Q698 PolarHBondContact O-N 3.06Å; Y696-Q698 VanDerWaalsContact C-N 3.34Å; Y696-Q698 PolarHBondContact O-N 3.47Å; Q698-R700 VanDerWaalsContact C-N 3.34Å; Q698-R700 PolarHBondContact O-N 3.11Å; Q698-V701 PolarHBondContact O-N 3.14Å; Q698-Q702 WeakPolarHBondContact O-CG 3.49Å; Q698-Q702 PolarHBondContact O-N 2.96Å |
| 699 | Q | 84.7 | Confident | 76.5 | Confident | 102 Ų | 102 | 82.8 Ų | 82.8 | 48% | 0.477 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 176.2 | -72.1 | -175.4 | -12.2 | 0 | 0 | 112.3 | H695 Y696 V701 Q702 K703 | H695-Q699 PolarHBondContact CE1-NE2 2.92Å; H695-Q699 PolarHBondContact NE2-NE2 3.36Å; H695-Q699 WeakPolarHBondContact O-CG 3.41Å; H695-Q699 PolarHBondContact O-N 3.21Å; Y696-Q699 PolarHBondContact O-N 2.71Å; Q699-V701 PolarHBondContact O-N 2.99Å; Q699-Q702 PolarHBondContact O-N 2.82Å; Q699-K703 WeakPolarHBondContact O-CB 3.37Å; Q699-K703 PolarHBondContact O-N 3.06Å |
| 700 | R | 84.9 | Confident | 78.2 | Confident | 44 Ų | 44 | 80.8 Ų | 80.8 | 17% | 0.166 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.5 | -72.5 | -72.1 | -61.8 | 116.1 | -0.1 | 111.8 | E289 L309 Y696 I697 Q698 A704 | E289-R700 IonicContact OE1-NH1 2.69Å; E289-R700 IonicContact OE2-CZ 2.78Å; E289-R700 IonicContact OE2-NH1 3.54Å; E289-R700 PolarHBondContact OE2-NH1 3.22Å; E289-R700 IonicContact OE2-NH2 2.69Å; E289-R700 PolarHBondContact OE2-NH2 3.23Å; L309-R700 HydrophobicContact CD1-CB 3.64Å; L309-R700 HydrophobicContact CD1-CG 3.99Å; Y696-R700 HydrophobicContact CD1-CG 4.1Å; Y696-R700 HydrophobicContact CD2-CG 4.46Å; Y696-R700 HydrophobicContact CE1-CG 3.7Å; Y696-R700 HydrophobicContact CE2-CG 4.11Å; Y696-R700 HydrophobicContact CG-CG 4.47Å; Y696-R700 WeakPolarHBondContact O-CB 3.29Å; Y696-R700 VanDerWaalsContact O-CG 3.27Å; Y696-R700 WeakPolarHBondContact O-CG 3.21Å; Y696-R700 PolarHBondContact O-N 3.32Å; I697-R700 PolarHBondContact O-N 2.97Å; Q698-R700 VanDerWaalsContact C-N 3.34Å; Q698-R700 PolarHBondContact O-N 3.11Å; R700-A704 WeakPolarHBondContact O-CB 3.19Å; R700-A704 PolarHBondContact O-N 2.69Å; R700-A704 VanDerWaalsContact O-N 3.12Å |
| 701 | V | 86.3 | Confident | 79.6 | Confident | 19 Ų | 19 | 81.2 Ų | 81.2 | 12% | 0.115 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -67 | -45.4 | 177.8 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | K312 I313 N316 I697 Q698 Q699 K703 A704 Q705 | K312-V701 HydrophobicContact CB-CG2 4.13Å; I313-V701 HydrophobicContact CG1-CG2 3.82Å; N316-V701 HydrophobicContact CB-CG1 3.86Å; I697-V701 WeakPolarHBondContact O-CG2 3.43Å; I697-V701 PolarHBondContact O-N 3.38Å; Q698-V701 PolarHBondContact O-N 3.14Å; Q699-V701 PolarHBondContact O-N 2.99Å; V701-K703 PolarHBondContact O-N 3.36Å; V701-A704 WeakPolarHBondContact O-CB 3.32Å; V701-A704 PolarHBondContact O-N 3.17Å; V701-A704 VanDerWaalsContact O-N 3.1Å; V701-Q705 WeakPolarHBondContact O-CG 3.44Å; V701-Q705 PolarHBondContact O-N 2.94Å |
| 702 | Q | 87.8 | Confident | 80.8 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 53% | 0.528 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.4 | -72.5 | 171.4 | -3.2 | 0 | 0 | 112 | Q698 Q699 A704 Q705 F706 | Q698-Q702 WeakPolarHBondContact O-CG 3.49Å; Q698-Q702 PolarHBondContact O-N 2.96Å; Q699-Q702 PolarHBondContact O-N 2.82Å; Q702-A704 VanDerWaalsContact C-N 3.32Å; Q702-A704 PolarHBondContact O-N 2.83Å; Q702-Q705 PolarHBondContact O-N 3.46Å; Q702-F706 PolarHBondContact O-N 2.83Å |
| 703 | K | 87.9 | Confident | 82.2 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 172.6 | 179 | 172.7 | -178.6 | -90.5 | 0 | 112 | E289 Q699 V701 Q705 L707 | E289-K703 IonicContact OE1-NZ 3.45Å; E289-K703 PolarHBondContact OE1-NZ 3.27Å; Q699-K703 WeakPolarHBondContact O-CB 3.37Å; Q699-K703 PolarHBondContact O-N 3.06Å; V701-K703 PolarHBondContact O-N 3.36Å; K703-Q705 VanDerWaalsContact C-N 3.33Å; K703-Q705 PolarHBondContact O-N 2.97Å; K703-L707 HydrophobicContact CG-CD1 3.9Å; K703-L707 HydrophobicContact CG-CG 4.45Å; K703-L707 WeakPolarHBondContact O-CB 3.4Å; K703-L707 VanDerWaalsContact O-CG 3.31Å; K703-L707 WeakPolarHBondContact O-CG 3.48Å; K703-L707 PolarHBondContact O-N 3.47Å; K703-L707 VanDerWaalsContact O-N 3.09Å |
| 704 | A | 84.9 | Confident | 83.3 | Confident | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.3 | -27.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E289 Y290 R700 V701 Q702 V708 | E289-A704 HydrophobicContact CB-CB 3.88Å; E289-A704 HydrophobicContact CG-CB 4.5Å; Y290-A704 HydrophobicContact CE2-CB 3.95Å; Y290-A704 VanDerWaalsContact OH-C 3.28Å; Y290-A704 PolarHBondContact OH-O 2.7Å; R700-A704 WeakPolarHBondContact O-CB 3.19Å; R700-A704 PolarHBondContact O-N 2.69Å; R700-A704 VanDerWaalsContact O-N 3.12Å; V701-A704 WeakPolarHBondContact O-CB 3.32Å; V701-A704 PolarHBondContact O-N 3.17Å; V701-A704 VanDerWaalsContact O-N 3.1Å; Q702-A704 VanDerWaalsContact C-N 3.32Å; Q702-A704 PolarHBondContact O-N 2.83Å; A704-V708 WeakPolarHBondContact O-CG2 3.45Å |
| 705 | Q | 86.4 | Confident | 83.8 | Confident | 69 Ų | 69 | 73.1 Ų | 73.1 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -72.1 | -57.7 | 170.3 | -69.4 | 170.8 | -30.5 | 0 | 0 | 110.4 | N316 V701 Q702 K703 L707 V708 E709 | N316-Q705 WeakPolarHBondContact OD1-CG 3.47Å; N316-Q705 PolarHBondContact OD1-NE2 3Å; V701-Q705 WeakPolarHBondContact O-CG 3.44Å; V701-Q705 PolarHBondContact O-N 2.94Å; Q702-Q705 PolarHBondContact O-N 3.46Å; K703-Q705 VanDerWaalsContact C-N 3.33Å; K703-Q705 PolarHBondContact O-N 2.97Å; Q705-L707 VanDerWaalsContact C-N 3.33Å; Q705-L707 PolarHBondContact O-N 3.49Å; Q705-V708 PolarHBondContact O-N 3.24Å; Q705-E709 PolarHBondContact O-N 3.43Å |
| 706 | F | 87.6 | Confident | 83.8 | Confident | 136 Ų | 136 | 71.3 Ų | 71.3 | 60% | 0.596 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -54.4 | -44.4 | -176.7 | 176.8 | -98.5 | 0 | 0 | 0 | 113.3 | Q702 V708 E709 F710 | Q702-F706 PolarHBondContact O-N 2.83Å; F706-V708 PolarHBondContact O-N 3.1Å; F706-E709 PolarHBondContact O-N 2.97Å; F706-F710 VanDerWaalsContact O-CB 3.26Å; F706-F710 WeakPolarHBondContact O-CB 3.45Å; F706-F710 PolarHBondContact O-N 2.67Å |
| 707 | L | 85.6 | Confident | 83.5 | Confident | 45 Ų | 45 | 68.9 Ų | 68.9 | 24% | 0.236 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.8 | -38.2 | 178.6 | -70.7 | 172.6 | 0 | 0 | 0 | 112.7 | T285 E289 K703 Q705 E711 | T285-L707 HydrophobicContact CG2-CB 3.92Å; E289-L707 HydrophobicContact CG-CD1 4.37Å; K703-L707 HydrophobicContact CG-CD1 3.9Å; K703-L707 HydrophobicContact CG-CG 4.45Å; K703-L707 WeakPolarHBondContact O-CB 3.4Å; K703-L707 VanDerWaalsContact O-CG 3.31Å; K703-L707 WeakPolarHBondContact O-CG 3.48Å; K703-L707 PolarHBondContact O-N 3.47Å; K703-L707 VanDerWaalsContact O-N 3.09Å; Q705-L707 VanDerWaalsContact C-N 3.33Å; Q705-L707 PolarHBondContact O-N 3.49Å; L707-E711 WeakPolarHBondContact O-CB 3.5Å; L707-E711 WeakPolarHBondContact O-CG 3.47Å; L707-E711 PolarHBondContact O-N 2.77Å |
| 708 | V | 84.9 | Confident | 83.3 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 3% | 0.03 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -71.3 | -42 | 178.7 | 164.5 | 0 | 0 | 0 | 0 | 111.4 | L279 Y290 A704 Q705 F706 S712 | L279-V708 VanDerWaalsContact O-CG1 3.27Å; L279-V708 WeakPolarHBondContact O-CG1 3.38Å; Y290-V708 HydrophobicContact CE2-CG2 3.74Å; A704-V708 WeakPolarHBondContact O-CG2 3.45Å; Q705-V708 PolarHBondContact O-N 3.24Å; F706-V708 PolarHBondContact O-N 3.1Å; V708-S712 VanDerWaalsContact O-CB 3.26Å; V708-S712 WeakPolarHBondContact O-CB 3.43Å; V708-S712 PolarHBondContact O-N 3.12Å |
| 709 | E | 84.1 | Confident | 82.6 | Confident | 114 Ų | 114 | 71.6 Ų | 71.6 | 53% | 0.533 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 176.6 | -70 | 178.4 | -178.9 | 0 | 0 | 111.5 | Q705 F706 S712 Q713 | Q705-E709 PolarHBondContact O-N 3.43Å; F706-E709 PolarHBondContact O-N 2.97Å; E709-S712 WeakPolarHBondContact O-CB 3.44Å; E709-S712 PolarHBondContact O-N 3.44Å; E709-Q713 WeakPolarHBondContact O-CG 3.27Å; E709-Q713 PolarHBondContact O-N 3.44Å |
| 710 | F | 83.9 | Confident | 81.9 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 49% | 0.487 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | 176.7 | -177 | -102.2 | 0 | 0 | 0 | 112.2 | F706 S712 N714 | F706-F710 VanDerWaalsContact O-CB 3.26Å; F706-F710 WeakPolarHBondContact O-CB 3.45Å; F706-F710 PolarHBondContact O-N 2.67Å; F710-S712 VanDerWaalsContact C-N 3.3Å; F710-S712 PolarHBondContact O-N 2.85Å; F710-N714 WeakPolarHBondContact CE1-ND2 3.31Å; F710-N714 WeakPolarHBondContact CZ-ND2 3.48Å; F710-N714 PolarHBondContact O-N 3.14Å; F710-N714 PolarHBondContact O-ND2 3.46Å |
| 711 | E | 84.8 | Confident | 81.1 | Confident | 45 Ų | 45 | 75.8 Ų | 75.8 | 21% | 0.21 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -33.9 | 175.5 | -75.9 | -179 | -166.4 | 0 | 0 | 112.5 | T282 T285 L707 K715 | T282-E711 VanDerWaalsContact CB-OE2 3.27Å; T282-E711 WeakPolarHBondContact CB-OE2 3.42Å; T282-E711 VanDerWaalsContact CG2-OE2 3.29Å; T282-E711 WeakPolarHBondContact CG2-OE2 3.06Å; T282-E711 PolarHBondContact N-OE2 2.81Å; T282-E711 PolarHBondContact OG1-OE2 3.45Å; T285-E711 WeakPolarHBondContact CB-OE1 3.38Å; T285-E711 WeakPolarHBondContact CB-OE2 3.38Å; T285-E711 PolarHBondContact OG1-OE1 3.24Å; T285-E711 PolarHBondContact OG1-OE2 2.97Å; L707-E711 WeakPolarHBondContact O-CB 3.5Å; L707-E711 WeakPolarHBondContact O-CG 3.47Å; L707-E711 PolarHBondContact O-N 2.77Å; E711-K715 WeakPolarHBondContact O-CB 3.43Å; E711-K715 PolarHBondContact O-N 3.44Å |
| 712 | S | 80.9 | Confident | 80 | Confident | 18 Ų | 18 | 81.1 Ų | 81.1 | 13% | 0.126 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.8 | -54.8 | 174.3 | 167.3 | 0 | 0 | 0 | 0 | 112.1 | S278 V708 E709 F710 N714 K715 E716 | S278-S712 WeakPolarHBondContact O-CB 3.42Å; S278-S712 PolarHBondContact O-OG 3.25Å; V708-S712 VanDerWaalsContact O-CB 3.26Å; V708-S712 WeakPolarHBondContact O-CB 3.43Å; V708-S712 PolarHBondContact O-N 3.12Å; E709-S712 WeakPolarHBondContact O-CB 3.44Å; E709-S712 PolarHBondContact O-N 3.44Å; F710-S712 VanDerWaalsContact C-N 3.3Å; F710-S712 PolarHBondContact O-N 2.85Å; S712-N714 VanDerWaalsContact C-N 3.33Å; S712-N714 PolarHBondContact O-N 3.01Å; S712-K715 WeakPolarHBondContact O-CB 3.5Å; S712-K715 PolarHBondContact O-N 2.75Å; S712-E716 PolarHBondContact O-N 2.63Å |
| 713 | Q | 82.3 | Confident | 78.7 | Confident | 115 Ų | 115 | 83.5 Ų | 83.5 | 54% | 0.537 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59 | -43.5 | -176.8 | -70 | 169.1 | 17.6 | 0 | 0 | 111.8 | E709 K715 E716 L717 | E709-Q713 WeakPolarHBondContact O-CG 3.27Å; E709-Q713 PolarHBondContact O-N 3.44Å; Q713-K715 VanDerWaalsContact C-N 3.31Å; Q713-K715 PolarHBondContact O-N 2.69Å; Q713-E716 PolarHBondContact O-N 3.09Å; Q713-L717 WeakPolarHBondContact O-CB 3.31Å; Q713-L717 WeakPolarHBondContact O-CG 3.45Å; Q713-L717 PolarHBondContact O-N 3.38Å |
| 714 | N | 81 | Confident | 77.2 | Confident | 69 Ų | 69 | 82.8 Ų | 82.8 | 37% | 0.369 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.3 | -37.6 | 175.6 | -78.2 | -72 | 0 | 0 | 0 | 112.6 | F710 S712 L718 | F710-N714 WeakPolarHBondContact CE1-ND2 3.31Å; F710-N714 WeakPolarHBondContact CZ-ND2 3.48Å; F710-N714 PolarHBondContact O-N 3.14Å; F710-N714 PolarHBondContact O-ND2 3.46Å; S712-N714 VanDerWaalsContact C-N 3.33Å; S712-N714 PolarHBondContact O-N 3.01Å; N714-L718 VanDerWaalsContact O-CG 3.29Å; N714-L718 WeakPolarHBondContact O-CG 3.45Å; N714-L718 PolarHBondContact O-N 2.9Å; N714-L718 VanDerWaalsContact O-N 3.1Å |
| 715 | K | 76.8 | Confident | 75.5 | Confident | 58 Ų | 58 | 92.7 Ų | 92.7 | 25% | 0.252 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -75.4 | -33.4 | 179.9 | -172.4 | 169.3 | 169 | -169.2 | 0 | 112.5 | D272 G277 E711 S712 Q713 M719 | D272-K715 IonicContact OD1-NZ 3.78Å; D272-K715 PolarHBondContact OD1-NZ 2.91Å; G277-K715 WeakPolarHBondContact O-CD 3.34Å; G277-K715 WeakPolarHBondContact O-CE 3.14Å; G277-K715 PolarHBondContact O-NZ 2.83Å; E711-K715 WeakPolarHBondContact O-CB 3.43Å; E711-K715 PolarHBondContact O-N 3.44Å; S712-K715 WeakPolarHBondContact O-CB 3.5Å; S712-K715 PolarHBondContact O-N 2.75Å; Q713-K715 VanDerWaalsContact C-N 3.31Å; Q713-K715 PolarHBondContact O-N 2.69Å; K715-M719 WeakPolarHBondContact O-CG 3.26Å; K715-M719 PolarHBondContact O-N 3.4Å; K715-M719 VanDerWaalsContact O-N 3.14Å |
| 716 | E | 76.4 | Confident | 73.9 | Confident | 75 Ų | 75 | 93.1 Ų | 93.1 | 35% | 0.35 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.1 | -48.1 | 171.5 | -174.9 | 135.9 | -111.6 | 0 | 0 | 111.4 | K116 S712 Q713 L718 M719 E720 | K116-E716 IonicContact NZ-OE1 2.98Å; K116-E716 PolarHBondContact NZ-OE1 3.44Å; S712-E716 PolarHBondContact O-N 2.63Å; Q713-E716 PolarHBondContact O-N 3.09Å; E716-L718 VanDerWaalsContact C-N 3.3Å; E716-L718 PolarHBondContact O-N 2.83Å; E716-M719 PolarHBondContact O-N 2.88Å; E716-M719 VanDerWaalsContact O-N 3.12Å; E716-E720 PolarHBondContact O-N 2.9Å |
| 717 | L | 76.9 | Confident | 71.7 | Confident | 87 Ų | 87 | 91.2 Ų | 91.2 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -55.9 | -41 | 174.1 | -76.2 | 165.2 | 0 | 0 | 0 | 112.6 | Q713 E720 Q721 | Q713-L717 WeakPolarHBondContact O-CB 3.31Å; Q713-L717 WeakPolarHBondContact O-CG 3.45Å; Q713-L717 PolarHBondContact O-N 3.38Å; L717-E720 PolarHBondContact O-N 3.28Å; L717-Q721 WeakPolarHBondContact O-CB 3.29Å; L717-Q721 VanDerWaalsContact O-CG 3.28Å; L717-Q721 WeakPolarHBondContact O-CG 3.48Å; L717-Q721 PolarHBondContact O-N 3.45Å |
| 718 | L | 76.4 | Confident | 69.3 | Low | 109 Ų | 109 | 91.6 Ų | 91.6 | 57% | 0.571 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 176.2 | -76.6 | 167.9 | 0 | 0 | 0 | 112.6 | N714 E716 Q722 | N714-L718 VanDerWaalsContact O-CG 3.29Å; N714-L718 WeakPolarHBondContact O-CG 3.45Å; N714-L718 PolarHBondContact O-N 2.9Å; N714-L718 VanDerWaalsContact O-N 3.1Å; E716-L718 VanDerWaalsContact C-N 3.3Å; E716-L718 PolarHBondContact O-N 2.83Å; L718-Q722 WeakPolarHBondContact O-CB 3.36Å; L718-Q722 PolarHBondContact O-N 3.18Å |
| 719 | M | 69.3 | Low | 67 | Low | 69 Ų | 69 | 94.8 Ų | 94.8 | 34% | 0.34 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.1 | -36.5 | 176.2 | -71.2 | -159.4 | -64.1 | 0 | 0 | 112.3 | Q276 K715 E716 Q722 R723 | Q276-M719 HydrophobicContact CB-CE 4.16Å; Q276-M719 WeakPolarHBondContact O-CE 3.43Å; K715-M719 WeakPolarHBondContact O-CG 3.26Å; K715-M719 PolarHBondContact O-N 3.4Å; K715-M719 VanDerWaalsContact O-N 3.14Å; E716-M719 PolarHBondContact O-N 2.88Å; E716-M719 VanDerWaalsContact O-N 3.12Å; M719-Q722 PolarHBondContact O-N 3.43Å; M719-R723 WeakPolarHBondContact O-CB 3.35Å; M719-R723 PolarHBondContact O-N 3.3Å |
| 720 | E | 69.9 | Low | 64.7 | Low | 108 Ų | 108 | 97.7 Ų | 97.7 | 51% | 0.505 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.3 | -44.1 | 174.5 | -174.1 | 171.1 | -144.4 | 0 | 0 | 111.7 | E716 L717 Q722 R723 N724 | E716-E720 PolarHBondContact O-N 2.9Å; L717-E720 PolarHBondContact O-N 3.28Å; E720-Q722 VanDerWaalsContact C-N 3.31Å; E720-Q722 PolarHBondContact O-N 2.9Å; E720-R723 PolarHBondContact O-N 2.97Å; E720-N724 WeakPolarHBondContact O-CB 3.47Å; E720-N724 PolarHBondContact O-N 2.92Å; E720-N724 PolarHBondContact O-ND2 2.7Å; E720-N724 PolarHBondContact O-OD1 3.14Å |
| 721 | Q | 70 | Confident | 62.2 | Low | 126 Ų | 126 | 100.4 Ų | 100.4 | 59% | 0.589 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.4 | -40.7 | 172.1 | -74.1 | 176.1 | 25.2 | 0 | 0 | 112.3 | L717 R725 | L717-Q721 WeakPolarHBondContact O-CB 3.29Å; L717-Q721 VanDerWaalsContact O-CG 3.28Å; L717-Q721 WeakPolarHBondContact O-CG 3.48Å; L717-Q721 PolarHBondContact O-N 3.45Å; Q721-R725 VanDerWaalsContact O-CB 3.26Å; Q721-R725 WeakPolarHBondContact O-CB 3.49Å; Q721-R725 PolarHBondContact O-N 3.21Å |
| 722 | Q | 62.2 | Low | 59.6 | Low | 131 Ų | 131 | 108.6 Ų | 108.6 | 61% | 0.612 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 177.4 | -174.5 | 168.9 | -23.6 | 0 | 0 | 112 | L718 M719 E720 R725 N726 | L718-Q722 WeakPolarHBondContact O-CB 3.36Å; L718-Q722 PolarHBondContact O-N 3.18Å; M719-Q722 PolarHBondContact O-N 3.43Å; E720-Q722 VanDerWaalsContact C-N 3.31Å; E720-Q722 PolarHBondContact O-N 2.9Å; Q722-R725 PolarHBondContact O-N 3.02Å; Q722-N726 PolarHBondContact O-N 3.14Å |
| 723 | R | 60.3 | Low | 57 | Low | 162 Ų | 162 | 116.1 Ų | 116.1 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.5 | -51.1 | 173 | -178.9 | 178.1 | 179.4 | 150.8 | 6.1 | 111.5 | M719 E720 R725 N726 E727 | M719-R723 WeakPolarHBondContact O-CB 3.35Å; M719-R723 PolarHBondContact O-N 3.3Å; E720-R723 PolarHBondContact O-N 2.97Å; R723-R725 PolarHBondContact O-N 3.14Å; R723-N726 WeakPolarHBondContact O-CA 3.38Å; R723-N726 WeakPolarHBondContact O-CB 3.39Å; R723-N726 PolarHBondContact O-N 3.38Å; R723-E727 HydrophobicContact CG-CG 4.48Å; R723-E727 WeakPolarHBondContact CG-OE1 3.35Å; R723-E727 IonicContact CZ-OE1 3.79Å; R723-E727 IonicContact NE-OE1 2.6Å; R723-E727 PolarHBondContact NE-OE1 3.39Å; R723-E727 IonicContact NH2-OE1 3.56Å; R723-E727 PolarHBondContact NH2-OE1 2.61Å; R723-E727 PolarHBondContact O-N 3.5Å |
| 724 | N | 55.7 | Low | 54.5 | Low | 87 Ų | 87 | 115.8 Ų | 115.8 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.7 | -30.8 | -179.5 | -65.4 | -11.3 | 0 | 0 | 0 | 111.8 | E720 G728 | E720-N724 WeakPolarHBondContact O-CB 3.47Å; E720-N724 PolarHBondContact O-N 2.92Å; E720-N724 PolarHBondContact O-ND2 2.7Å; E720-N724 PolarHBondContact O-OD1 3.14Å; N724-G728 PolarHBondContact O-N 3.11Å |
| 725 | R | 51.3 | Low | 51.9 | Low | 207 Ų | 207 | 118.8 Ų | 118.8 | 78% | 0.781 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -69.6 | -36.7 | 171.8 | -171.8 | 177.8 | -174.5 | 179.9 | 2.5 | 112.9 | Q721 Q722 R723 | Q721-R725 VanDerWaalsContact O-CB 3.26Å; Q721-R725 WeakPolarHBondContact O-CB 3.49Å; Q721-R725 PolarHBondContact O-N 3.21Å; Q722-R725 PolarHBondContact O-N 3.02Å; R723-R725 PolarHBondContact O-N 3.14Å |
| 726 | N | 51.5 | Low | 49.5 | Very low | 78 Ų | 78 | 125 Ų | 125 | 42% | 0.417 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -69.7 | -45.3 | 172.9 | -78.8 | 12.7 | 0 | 0 | 0 | 111.1 | Q722 R723 G728 A729 W730 | Q722-N726 PolarHBondContact O-N 3.14Å; R723-N726 WeakPolarHBondContact O-CA 3.38Å; R723-N726 WeakPolarHBondContact O-CB 3.39Å; R723-N726 PolarHBondContact O-N 3.38Å; N726-G728 PolarHBondContact O-N 3.34Å; N726-A729 WeakPolarHBondContact O-CB 3.36Å; N726-A729 PolarHBondContact O-N 2.93Å; N726-W730 PolarHBondContact O-NE1 3.31Å |
| 727 | E | 41.6 | Very low | 47.2 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 45% | 0.449 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.5 | -37.1 | 177.9 | -69.3 | -177.1 | -164.6 | 0 | 0 | 112 | R723 A729 W730 | R723-E727 HydrophobicContact CG-CG 4.48Å; R723-E727 WeakPolarHBondContact CG-OE1 3.35Å; R723-E727 IonicContact CZ-OE1 3.79Å; R723-E727 IonicContact NE-OE1 2.6Å; R723-E727 PolarHBondContact NE-OE1 3.39Å; R723-E727 IonicContact NH2-OE1 3.56Å; R723-E727 PolarHBondContact NH2-OE1 2.61Å; R723-E727 PolarHBondContact O-N 3.5Å; E727-A729 PolarHBondContact O-N 2.92Å; E727-A729 VanDerWaalsContact O-N 3.08Å; E727-W730 PolarHBondContact O-N 3.13Å; E727-W730 VanDerWaalsContact O-N 3.09Å |
| 728 | G | 35.4 | Very low | 44.7 | Very low | 54 Ų | 54 | 128.8 Ų | 128.8 | 56% | 0.557 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -13.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | N724 N726 | N724-G728 PolarHBondContact O-N 3.11Å; N726-G728 PolarHBondContact O-N 3.34Å |
| 729 | A | 36.1 | Very low | 42.3 | Very low | 72 Ų | 72 | 128.7 Ų | 128.7 | 60% | 0.595 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | -19.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N726 E727 | N726-A729 WeakPolarHBondContact O-CB 3.36Å; N726-A729 PolarHBondContact O-N 2.93Å; E727-A729 PolarHBondContact O-N 2.92Å; E727-A729 VanDerWaalsContact O-N 3.08Å |
| 730 | W | 36.7 | Very low | 40.1 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -17.1 | -172.7 | -63.2 | 71.9 | 0 | 0 | 0 | 113.6 | Q218 N726 E727 R732 | Q218-W730 HydrophobicContact CG-CH2 4.43Å; N726-W730 PolarHBondContact O-NE1 3.31Å; E727-W730 PolarHBondContact O-N 3.13Å; E727-W730 VanDerWaalsContact O-N 3.09Å; W730-R732 VanDerWaalsContact C-N 3.27Å; W730-R732 PolarHBondContact O-N 2.93Å |
| 731 | L | 30.8 | Very low | 38 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 88% | 0.88 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 25.5 | -177.3 | -67.2 | 174.6 | 0 | 0 | 0 | 114.2 | ||
| 732 | R | 29.9 | Very low | 35.9 | Very low | 217 Ų | 217 | 138.7 Ų | 138.7 | 82% | 0.819 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -134.5 | 104.5 | 176.7 | -168.1 | -179 | -65.1 | -149.8 | 1.3 | 111.5 | W730 | W730-R732 VanDerWaalsContact C-N 3.27Å; W730-R732 PolarHBondContact O-N 2.93Å |
| 733 | E | 27.1 | Very low | 34.1 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 82% | 0.822 | 72% | 0.72 | S | S | * | * | trans | -59.7 | 135.9 | 176 | -65.6 | -173.1 | 131.4 | 0 | 0 | 112.1 | V735 | E733-V735 PolarHBondContact O-N 3.07Š| ||
| 734 | P | 29.4 | Very low | 32.5 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | -80.7 | 97.1 | 177.2 | 31.5 | -33.5 | 0 | 0 | 0 | 111.4 | F736 | P734-F736 PolarHBondContact O-N 3.42Å; P734-F736 VanDerWaalsContact O-N 3.16Å | ||
| 735 | V | 26.3 | Very low | 31.3 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | trans | -68 | 109.4 | 169.5 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | E733 P737 | E733-V735 PolarHBondContact O-N 3.07Å; V735-P737 VanDerWaalsContact O-CD 3.31Å; V735-P737 WeakPolarHBondContact O-CD 3.42Å | ||
| 736 | F | 25.5 | Very low | 30.1 | Very low | 190 Ų | 190 | 140.4 Ų | 140.4 | 83% | 0.833 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 122 | 176.7 | -76.8 | -89.1 | 0 | 0 | 0 | 112.2 | P734 | P734-F736 PolarHBondContact O-N 3.42Å; P734-F736 VanDerWaalsContact O-N 3.16Å |
| 737 | P | 29.3 | Very low | 28.9 | Very low | 125 Ų | 125 | 143.5 Ų | 143.5 | 81% | 0.812 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -88.6 | 116.8 | 172.4 | -4.1 | 24 | 0 | 0 | 0 | 111.1 | V735 | V735-P737 VanDerWaalsContact O-CD 3.31Å; V735-P737 WeakPolarHBondContact O-CD 3.42Å |
| 738 | S | 23.9 | Very low | 28 | Very low | 116 Ų | 116 | 146 Ų | 146 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 148.2 | 170.3 | 57.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 739 | S | 25.9 | Very low | 27.9 | Very low | 107 Ų | 107 | 152.8 Ų | 152.8 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 146.4 | -175.6 | 63.7 | 0 | 0 | 0 | 0 | 115.7 | ||
| 740 | T | 23.8 | Very low | 27.5 | Very low | 146 Ų | 146 | 155.4 Ų | 155.4 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | -162.6 | 169.7 | 127 | 9.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 741 | K | 24.8 | Very low | 26.9 | Very low | 182 Ų | 182 | 155.7 Ų | 155.7 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -84.7 | 151.9 | -158.4 | -64 | 159.6 | 178 | 166.2 | 0 | 115.6 | ||||
| 742 | K | 26.5 | Very low | 27.1 | Very low | 185 Ų | 185 | 153.5 Ų | 153.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | 84.1 | 130.6 | 140.1 | -82.1 | 171.6 | 179 | -178.9 | 0 | 122.3 | ||||
| 743 | K | 25.3 | Very low | 27.2 | Very low | 198 Ų | 198 | 151.2 Ų | 151.2 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | 74.1 | 118.9 | 144.9 | -71.4 | -174.6 | 173.2 | -170.4 | 0 | 120.6 | ||||
| 744 | C | 24.7 | Very low | 27.4 | Very low | 120 Ų | 120 | 148.9 Ų | 148.9 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | trans | -74.2 | 164.8 | 152.1 | -46.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 745 | P | 32.3 | Very low | 27.6 | Very low | 118 Ų | 118 | 148.7 Ų | 148.7 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | -152 | 146.1 | 95.5 | 38.3 | -20.6 | 0 | 0 | 0 | 118.5 | |||||
| 746 | K | 24.7 | Very low | 28 | Very low | 187 Ų | 187 | 147.7 Ų | 147.7 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | 47.6 | 130.8 | 137.9 | -72.3 | -171.8 | 174.7 | -174.2 | 0 | 124 | ||||
| 747 | L | 27 | Very low | 28 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | 65.9 | 135 | 148.8 | -84.2 | 72.1 | 0 | 0 | 0 | 116.7 | ||||
| 748 | N | 23.5 | Very low | 27.8 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | cis | -158.3 | 177.4 | 41.3 | -108 | -34.7 | 0 | 0 | 0 | 114.6 | ||||
| 749 | K | 31.7 | Very low | 27.8 | Very low | 197 Ų | 197 | 146.3 Ų | 146.3 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -58.1 | 158.1 | 164.9 | -74.9 | -177.2 | 178.2 | -176.9 | 0 | 112.1 | ||||
| 750 | P | 29.1 | Very low | 27.8 | Very low | 128 Ų | 128 | 146.6 Ų | 146.6 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | -156 | -172.5 | 56.3 | 44.3 | -21.9 | 0 | 0 | 0 | 119.2 | |||||
| 751 | Q | 23.9 | Very low | 27.9 | Very low | 180 Ų | 180 | 149.5 Ų | 149.5 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -78.8 | 179.3 | 155.1 | -73.2 | 178.4 | -35.5 | 0 | 0 | 110.8 | ||||
| 752 | P | 34.8 | Very low | 28.1 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | cis | -127.3 | -168.4 | -8 | 21.5 | 4.3 | 0 | 0 | 0 | 114.1 | ||||
| 753 | Q | 30.9 | Very low | 28.1 | Very low | 169 Ų | 169 | 143.8 Ų | 143.8 | 79% | 0.79 | 77% | 0.771 | S | S | * | * | trans | -47 | 157.3 | 165.8 | -90.3 | -169.7 | 20.3 | 0 | 0 | 115.2 | ||||
| 754 | P | 31.5 | Very low | 28.1 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | -146.4 | 171.9 | 60.5 | 41.7 | -22.7 | 0 | 0 | 0 | 119.1 | |||||
| 755 | S | 33.9 | Very low | 28.2 | Very low | 103 Ų | 103 | 144.9 Ų | 144.9 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -128.2 | 141.1 | 174.8 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 756 | P | 35.9 | Very low | 28.1 | Very low | 111 Ų | 111 | 146.6 Ų | 146.6 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -138.4 | 139.4 | 166.5 | 34.8 | -17.7 | 0 | 0 | 0 | 117.1 | ||||
| 757 | L | 24.4 | Very low | 28.4 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | trans | 71.1 | 153.9 | 155.2 | -55.6 | 162.7 | 0 | 0 | 0 | 116.8 | ||||
| 758 | I | 25.5 | Very low | 28.4 | Very low | 151 Ų | 151 | 144.7 Ų | 144.7 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | cis | -134.8 | 124.7 | 15.7 | -61.2 | 169.3 | 0 | 0 | 0 | 107 | ||||
| 759 | S | 23.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 142.6 Ų | 142.6 | 60% | 0.601 | 76% | 0.76 | S | S | * | * | 67.1 | 138.7 | 77.5 | 156 | 0 | 0 | 0 | 0 | 116 | |||||
| 760 | T | 25.4 | Very low | 28.3 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 69% | 0.693 | 75% | 0.753 | S | S | * | * | cis | -169.9 | 167 | -20.2 | 31.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 761 | R | 26.7 | Very low | 28.2 | Very low | 207 Ų | 207 | 141.6 Ų | 141.6 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | 91.8 | 141.9 | 157.4 | -54.3 | -160.7 | 141.5 | 150.6 | 0.8 | 116.8 | ||||
| 762 | H | 28.9 | Very low | 28.3 | Very low | 139 Ų | 139 | 142.6 Ų | 142.6 | 64% | 0.644 | 76% | 0.762 | S | S | * | * | cis | -176.2 | 165.2 | -13 | -96.9 | -24.1 | 0 | 0 | 0 | 105.5 | ||||
| 763 | T | 27.2 | Very low | 27.9 | Very low | 107 Ų | 107 | 141.1 Ų | 141.1 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | cis | -172.3 | 161.9 | -8.5 | 26.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 764 | Q | 25.6 | Very low | 27.7 | Very low | 145 Ų | 145 | 138.7 Ų | 138.7 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | cis | -177.4 | 136.9 | -27.6 | 168.8 | 169.6 | -14.2 | 0 | 0 | 104.5 | E766 | Q764-E766 PolarHBondContact NE2-OE2 2.82Š| ||
| 765 | E | 25.6 | Very low | 27.4 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 92% | 0.916 | 76% | 0.763 | S | S | * | * | trans | -138 | 116.7 | 176.1 | -144.8 | 167 | -119.3 | 0 | 0 | 109.6 | ||||
| 766 | E | 29.8 | Very low | 27 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | trans | -129.7 | 160.4 | 164.5 | -66.1 | 173.5 | 132.2 | 0 | 0 | 103.8 | Q764 | Q764-E766 PolarHBondContact NE2-OE2 2.82Š| ||
| 767 | D | 31.5 | Very low | 26.9 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 77% | 0.771 | S | S | * | * | cis | -166.8 | -178.9 | 35 | -167.4 | 10.4 | 0 | 0 | 0 | 111.3 | ||||
| 768 | I | 26.7 | Very low | 26.9 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | trans | 89.9 | 128.9 | 158.7 | -59 | 168.9 | 0 | 0 | 0 | 117.4 | ||||
| 769 | S | 26.3 | Very low | 27.2 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -112.6 | 173.7 | -179 | 178.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 770 | S | 27.3 | Very low | 27.5 | Very low | 102 Ų | 102 | 145.7 Ų | 145.7 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | 77 | 111.6 | 161 | 76.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 771 | K | 26.8 | Very low | 28.2 | Very low | 202 Ų | 202 | 145.5 Ų | 145.5 | 88% | 0.878 | 78% | 0.782 | S | S | * | * | 173.9 | 110.6 | 126.2 | -97.1 | 169 | -178.2 | -179.9 | 0 | 111.5 | |||||
| 772 | M | 26 | Very low | 28.2 | Very low | 201 Ų | 201 | 143.9 Ų | 143.9 | 99% | 0.99 | 78% | 0.783 | S | S | * | * | trans | -153.9 | 91.5 | 154.2 | -87.1 | -152.5 | 172.3 | 0 | 0 | 110.5 | ||||
| 773 | A | 27.5 | Very low | 28 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | -163.8 | 141.9 | 159.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 774 | S | 24.9 | Very low | 27.8 | Very low | 117 Ų | 117 | 144.4 Ų | 144.4 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | 59.9 | 125.3 | -177.5 | 69.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 775 | V | 26 | Very low | 27.8 | Very low | 142 Ų | 142 | 145.1 Ų | 145.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | -151 | 145.6 | 112.5 | 145.4 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 776 | V | 25.9 | Very low | 27.9 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 80% | 0.8 | 79% | 0.786 | S | S | * | * | trans | -98 | 157.6 | 178.6 | 174.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 777 | I | 32.8 | Very low | 27.6 | Very low | 158 Ų | 158 | 144.3 Ų | 144.3 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -78.8 | 136.9 | 174.3 | -58.9 | 172.1 | 0 | 0 | 0 | 108.8 | ||||
| 778 | D | 26.1 | Very low | 27.3 | Very low | 159 Ų | 159 | 143.7 Ų | 143.7 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -133.2 | 156.9 | 170.1 | -126.6 | -29.7 | 0 | 0 | 0 | 109.1 | ||||
| 779 | D | 30.7 | Very low | 27.4 | Very low | 148 Ų | 148 | 143.3 Ų | 143.3 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | -92.5 | 172 | -156.4 | -101.4 | -48 | 0 | 0 | 0 | 117.2 | ||||
| 780 | L | 30.3 | Very low | 27.2 | Very low | 153 Ų | 153 | 143.9 Ų | 143.9 | 80% | 0.801 | 79% | 0.79 | S | S | * | * | trans | -44.9 | 154.5 | 167.1 | -87.9 | 159.1 | 0 | 0 | 0 | 114.3 | ||||
| 781 | P | 38.7 | Very low | 27 | Very low | 109 Ų | 109 | 144.1 Ų | 144.1 | 71% | 0.708 | 79% | 0.792 | S | S | * | * | -154.5 | 165.6 | 66.7 | 42.4 | -22.1 | 0 | 0 | 0 | 120.2 | |||||
| 782 | E | 27.4 | Very low | 27 | Very low | 173 Ų | 173 | 142.1 Ų | 142.1 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | 46 | 151.2 | 139.2 | -65 | -171.7 | 140.3 | 0 | 0 | 125.2 | ||||
| 783 | E | 24.7 | Very low | 26.8 | Very low | 197 Ų | 197 | 141.7 Ų | 141.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | 60.1 | 151.5 | 168.5 | -67.2 | -166.9 | 168.2 | 0 | 0 | 118.8 | ||||
| 784 | G | 24.3 | Very low | 26.7 | Very low | 59 Ų | 59 | 143.3 Ų | 143.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | cis | 149.7 | 116.3 | -6.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 785 | E | 25.6 | Very low | 26.8 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.782 | S | S | * | * | trans | 65.2 | 157.4 | 176.2 | -48.6 | -151.1 | 152.3 | 0 | 0 | 115.3 | ||||
| 786 | K | 25.7 | Very low | 27.1 | Very low | 155 Ų | 155 | 145 Ų | 145 | 67% | 0.674 | 78% | 0.782 | S | S | * | * | cis | -159.1 | -171.2 | -22.3 | -110.4 | 172 | -161.7 | 150.4 | 0 | 106.4 | ||||
| 787 | Q | 24.4 | Very low | 27.1 | Very low | 178 Ų | 178 | 144.6 Ų | 144.6 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 79 | 135.7 | 165.5 | -58.2 | -170.1 | -0.9 | 0 | 0 | 116.5 | ||||
| 788 | D | 25 | Very low | 27.1 | Very low | 127 Ų | 127 | 144.2 Ų | 144.2 | 68% | 0.679 | 79% | 0.785 | S | S | * | * | cis | -160.8 | 173.8 | -19.3 | -130.6 | -38 | 0 | 0 | 0 | 114.5 | ||||
| 789 | L | 28.7 | Very low | 27 | Very low | 142 Ų | 142 | 143.7 Ų | 143.7 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | trans | 55.7 | 75 | 150.6 | -66.8 | 170.8 | 0 | 0 | 0 | 118.1 | ||||
| 790 | S | 22.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 145.2 Ų | 145.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -9.8 | 134.6 | 133.2 | 59.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 791 | S | 23.1 | Very low | 26.9 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -142 | 140.2 | 152.8 | 66.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 792 | I | 26.6 | Very low | 26.6 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 82% | 0.821 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 69.9 | 76.7 | 164.5 | -46.3 | 172.1 | 0 | 0 | 0 | 117.8 | ||
| 793 | K | 22.2 | Very low | 26.8 | Very low | 192 Ų | 192 | 147.1 Ų | 147.1 | 84% | 0.835 | 79% | 0.793 | S | S | * | * | trans | 38 | 108.3 | 131.8 | -66.3 | -174.7 | 176.1 | -176.7 | 0 | 122 | ||||
| 794 | V | 24.6 | Very low | 26.9 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | 62.1 | 111.5 | 114.3 | 177.3 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 795 | N | 27.4 | Very low | 27.7 | Very low | 152 Ų | 152 | 147.6 Ų | 147.6 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | 62.5 | 134 | 143.4 | -60.7 | 9.1 | 0 | 0 | 0 | 122.7 | ||||
| 796 | V | 31.9 | Very low | 27.9 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -126.9 | 130.7 | 157.4 | 172.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 797 | T | 25.9 | Very low | 28 | Very low | 123 Ų | 123 | 150.1 Ų | 150.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -85.3 | 128.6 | 176.2 | -13.3 | 0 | 0 | 0 | 0 | 110.9 | L799 | T797-L799 PolarHBondContact O-N 2.96Š| ||
| 798 | T | 32.8 | Very low | 28.2 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 93% | 0.926 | 79% | 0.788 | S | S | * | * | trans | -82.4 | 92.5 | 166.3 | 17.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 799 | L | 25.5 | Very low | 28.3 | Very low | 147 Ų | 147 | 145.1 Ų | 145.1 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | trans | -135.1 | 146.5 | 169.1 | -121.5 | 174.5 | 0 | 0 | 0 | 109.2 | T797 | T797-L799 PolarHBondContact O-N 2.96Š| ||
| 800 | Q | 32.3 | Very low | 28.1 | Very low | 180 Ų | 180 | 144.2 Ų | 144.2 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -66.3 | 158.5 | 159.1 | -69.8 | 177.2 | -30.1 | 0 | 0 | 109.4 | G802 | Q800-G802 PolarHBondContact O-N 2.98Š|
| 801 | D | 26.2 | Very low | 28.2 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 95% | 0.952 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -32.7 | 127.9 | -176.8 | -89.6 | -62.7 | 0 | 0 | 0 | 116.1 | ||
| 802 | G | 31.1 | Very low | 28.4 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | trans | -174.1 | 14.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 124.2 | Q800 | Q800-G802 PolarHBondContact O-N 2.98Š| ||
| 803 | R | 31.7 | Very low | 28.2 | Very low | 233 Ų | 233 | 141.5 Ų | 141.5 | 88% | 0.879 | 79% | 0.787 | S | S | * | * | trans | 51.2 | 121.6 | 164.2 | -70.8 | -175.1 | 172.6 | -154.7 | -1.6 | 121.4 | ||||
| 804 | H | 27.6 | Very low | 28.3 | Very low | 173 Ų | 173 | 137 Ų | 137 | 80% | 0.801 | 78% | 0.78 | S | S | * | * | trans | 76.1 | 159.8 | 138.4 | -78.7 | -62.1 | 0 | 0 | 0 | 120.8 | ||||
| 805 | P | 42 | Very low | 28.3 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 60% | 0.604 | 78% | 0.783 | S | S | * | * | trans | -134.6 | 173.3 | -140.5 | 39.3 | -20 | 0 | 0 | 0 | 117.4 | ||||
| 806 | Y | 29.6 | Very low | 28.1 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | 167.5 | 142.3 | 125.5 | -107.1 | -92.8 | 0 | 0 | 0 | 114.9 | |||||
| 807 | E | 27.8 | Very low | 27.8 | Very low | 172 Ų | 172 | 135.2 Ų | 135.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 28.9 | 130.1 | 154.4 | -74 | 169.6 | 169.2 | 0 | 0 | 126.6 | ||||
| 808 | G | 28.6 | Very low | 27.9 | Very low | 68 Ų | 68 | 136.7 Ų | 136.7 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | 88.4 | 158.5 | 129.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 809 | T | 26.9 | Very low | 28.1 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | -178.7 | 143.8 | -33.2 | 10 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 810 | C | 24.8 | Very low | 28.2 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | 66.1 | 158.9 | 157.5 | -68 | 0 | 0 | 0 | 0 | 119 | ||||
| 811 | S | 24.4 | Very low | 27.9 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -171.1 | 144.5 | -18.2 | 50.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 812 | A | 26.3 | Very low | 27.9 | Very low | 84 Ų | 84 | 135.4 Ų | 135.4 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | 67.1 | 138.9 | 128.2 | 0 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 813 | D | 23.1 | Very low | 27.5 | Very low | 141 Ų | 141 | 136 Ų | 136 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 106.9 | 131.7 | -77.7 | -54.6 | 0 | 0 | 0 | 125.7 | ||||
| 814 | S | 24.5 | Very low | 27.3 | Very low | 97 Ų | 97 | 130.6 Ų | 130.6 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | 70 | 156.3 | 103.8 | -56.9 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 815 | I | 23.5 | Very low | 27.1 | Very low | 160 Ų | 160 | 128.7 Ų | 128.7 | 82% | 0.821 | 78% | 0.783 | S | S | * | * | trans | 91.9 | 107.8 | 157.9 | -50.9 | -174.5 | 0 | 0 | 0 | 120.4 | ||||
| 816 | A | 23.3 | Very low | 26.3 | Very low | 87 Ų | 87 | 133.1 Ų | 133.1 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | trans | 54.4 | 165.5 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 817 | T | 25.4 | Very low | 26.3 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | cis | -151.5 | 168.9 | 10.6 | -29.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 818 | L | 29.5 | Very low | 26.2 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -46.7 | 167 | 168.1 | -75.6 | 159.4 | 0 | 0 | 0 | 116.1 | ||||
| 819 | P | 36.9 | Very low | 25.9 | Very low | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | -144.1 | 172 | 25.1 | 43 | -23.7 | 0 | 0 | 0 | 120.1 | ||||
| 820 | K | 27.5 | Very low | 25.7 | Very low | 206 Ų | 206 | 131.4 Ų | 131.4 | 90% | 0.896 | 79% | 0.789 | S | S | * | * | trans | 7.1 | 129.1 | 155.9 | -63.6 | -177.5 | 176.8 | -177.8 | 0 | 120.9 | ||||
| 821 | G | 25 | Very low | 25.8 | Very low | 81 Ų | 81 | 133.3 Ų | 133.3 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -151.3 | 144.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 822 | F | 25.6 | Very low | 26.1 | Very low | 229 Ų | 229 | 133.9 Ų | 133.9 | 100% | 1.004 | 80% | 0.795 | S | S | * | * | trans | -101.2 | 141.5 | 174.8 | -101.4 | -96.8 | 0 | 0 | 0 | 110 | ||||
| 823 | G | 24.3 | Very low | 26.1 | Very low | 79 Ų | 79 | 134.8 Ų | 134.8 | 81% | 0.814 | 80% | 0.796 | S | S | * | * | trans | 158.6 | 127.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 824 | S | 25.9 | Very low | 26.1 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | trans | -91.4 | 127.7 | -173.8 | 53.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 825 | V | 24.3 | Very low | 26.2 | Very low | 133 Ų | 133 | 135.4 Ų | 135.4 | 81% | 0.806 | 81% | 0.806 | S | S | * | * | trans | -149 | 135.4 | 145.2 | -178.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 826 | E | 25.3 | Very low | 26.4 | Very low | 186 Ų | 186 | 136 Ų | 136 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -145 | 101.4 | 162 | -145 | 165.2 | -141.6 | 0 | 0 | 109.1 | ||||
| 827 | E | 29.6 | Very low | 26.5 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -78.1 | 171.4 | 149.2 | -61.5 | 178.7 | 114.2 | 0 | 0 | 107.9 | ||||
| 828 | L | 26.1 | Very low | 26.6 | Very low | 157 Ų | 157 | 140 Ų | 140 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | -171.3 | 128.6 | 124.1 | -101.3 | 162.2 | 0 | 0 | 0 | 114.3 | |||||
| 829 | C | 22.2 | Very low | 26.5 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | trans | -5.2 | 139.1 | 144.3 | -55.2 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 830 | T | 21.9 | Very low | 25.9 | Very low | 119 Ų | 119 | 140.4 Ų | 140.4 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | 60.5 | 92.9 | 51.5 | 76.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 831 | N | 28.1 | Very low | 25.8 | Very low | 163 Ų | 163 | 134.3 Ų | 134.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | 44 | 162.1 | 123.3 | -68 | -4.9 | 0 | 0 | 0 | 123.3 | |||||
| 832 | S | 29.6 | Very low | 25.8 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | trans | 86.8 | 153.2 | 162.6 | -146.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 833 | S | 27.5 | Very low | 25.9 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | cis | -152.6 | 162.5 | 15.6 | -42.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 834 | L | 22.8 | Very low | 25.8 | Very low | 186 Ų | 186 | 137 Ų | 137 | 97% | 0.974 | 77% | 0.765 | S | S | * | * | trans | -157 | 139.6 | 138.8 | -122.9 | 154 | 0 | 0 | 0 | 111.2 | ||||
| 835 | G | 25.5 | Very low | 25.8 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | 171.9 | 157.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 836 | M | 27.9 | Very low | 25.7 | Very low | 172 Ų | 172 | 137.2 Ų | 137.2 | 85% | 0.847 | 76% | 0.76 | S | S | * | * | trans | -176.6 | 151 | 176.1 | -108 | -172.9 | 162.8 | 0 | 0 | 108.3 | ||||
| 837 | E | 26.5 | Very low | 25.6 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 61% | 0.612 | 76% | 0.757 | S | S | * | * | cis | -166.8 | 176.3 | -6.8 | -151.5 | -167.2 | -155 | 0 | 0 | 111.1 | ||||
| 838 | K | 27.1 | Very low | 25.2 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | trans | 86 | 143.9 | 158 | -67.4 | 164.9 | -172.6 | 172 | 0 | 119.7 | ||||
| 839 | S | 26.6 | Very low | 25.2 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | cis | -175.1 | 156.5 | -19.7 | 48 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 840 | F | 24.1 | Very low | 25.3 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | trans | 98.6 | 116.4 | 161.7 | -63.1 | -77.9 | 0 | 0 | 0 | 116.7 | ||||
| 841 | A | 26.7 | Very low | 25.3 | Very low | 79 Ų | 79 | 139.1 Ų | 139.1 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | 86.2 | 140 | 53.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 842 | T | 24.7 | Very low | 25.2 | Very low | 129 Ų | 129 | 138.6 Ų | 138.6 | 79% | 0.791 | 76% | 0.755 | S | S | * | * | cis | -162.7 | 131.5 | -3.5 | 9.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 843 | K | 26.5 | Very low | 25 | Very low | 190 Ų | 190 | 140 Ų | 140 | 83% | 0.826 | 75% | 0.749 | S | S | * | * | 45.1 | 159.2 | 129.9 | -85.1 | -167 | 174 | -172.1 | 0 | 125.6 | |||||
| 844 | N | 23.1 | Very low | 24.8 | Very low | 126 Ų | 126 | 143 Ų | 143 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | 81 | 141.9 | 166.3 | -72.3 | 36.8 | 0 | 0 | 0 | 117.8 | ||||
| 845 | E | 25.2 | Very low | 24.8 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | cis | -167.6 | 153.7 | -22.9 | -131.1 | 170.2 | 174.6 | 0 | 0 | 112.7 | ||||
| 846 | A | 22.8 | Very low | 25.5 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | 70.5 | 167.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 847 | V | 22.6 | Very low | 25.3 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 80% | 0.8 | 74% | 0.74 | S | S | * | * | trans | 86.1 | 85.1 | 166.8 | -162.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 848 | Q | 22.3 | Very low | 25.3 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 74% | 0.74 | S | S | * | * | 35.9 | 124 | 127.4 | -63.6 | 179.9 | -11.3 | 0 | 0 | 123.4 | |||||
| 849 | K | 25.1 | Very low | 25.2 | Very low | 195 Ų | 195 | 139.6 Ų | 139.6 | 85% | 0.848 | 74% | 0.74 | S | S | * | * | trans | 3.4 | 137.4 | 144.7 | -65.1 | -176 | 174.5 | -172.7 | 0 | 120.4 | ||||
| 850 | E | 24.8 | Very low | 25.1 | Very low | 172 Ų | 172 | 140.5 Ų | 140.5 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | -166.9 | 152.7 | 112.7 | -91.4 | -77.9 | -74.9 | 0 | 0 | 107.4 | |||||
| 851 | T | 22.8 | Very low | 25 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 46% | 0.46 | 75% | 0.751 | S | S | . | * | cis | -168.2 | -177.9 | -29.9 | -108 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 852 | L | 26 | Very low | 24.9 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | 84.2 | 92.3 | -175.4 | -54.1 | 177.7 | 0 | 0 | 0 | 113 | ||||
| 853 | Q | 24.4 | Very low | 24.8 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | 57.3 | 126.2 | 58.8 | -64.4 | 179 | -92.6 | 0 | 0 | 112.9 | |||||
| 854 | E | 24 | Very low | 24.5 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 75% | 0.752 | S | S | * | * | cis | -152.9 | 160.7 | 3.6 | -103.8 | 150.2 | -175.7 | 0 | 0 | 109 | ||||
| 855 | G | 23.4 | Very low | 25.2 | Very low | 65 Ų | 65 | 141.1 Ų | 141.1 | 67% | 0.67 | 75% | 0.752 | S | S | * | * | cis | 110.4 | 149.2 | 4.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 856 | P | 38.9 | Very low | 25 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | cis | -96.8 | -129.7 | -14.9 | 21.6 | 1.6 | 0 | 0 | 0 | 109.8 | ||||
| 857 | K | 24.4 | Very low | 25 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | -161.3 | 133.9 | -3.3 | -156.9 | -168.6 | 165.1 | -163.9 | 0 | 107.2 | ||||
| 858 | Q | 25.5 | Very low | 25.1 | Very low | 134 Ų | 134 | 142 Ų | 142 | 63% | 0.626 | 75% | 0.746 | S | S | * | * | 45.9 | 138.8 | 77 | -59.7 | 175.2 | -67 | 0 | 0 | 116.1 | |||||
| 859 | E | 24.9 | Very low | 25.2 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | cis | -172.8 | 148 | -2.5 | -113.1 | 158.2 | -163.6 | 0 | 0 | 108.7 | ||||
| 860 | A | 24.1 | Very low | 25.1 | Very low | 104 Ų | 104 | 140.2 Ų | 140.2 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | trans | -172.7 | 175.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 861 | L | 23.8 | Very low | 25 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 82% | 0.817 | 74% | 0.741 | S | S | * | * | trans | -120 | 169.3 | -173 | -70.2 | 159.7 | 0 | 0 | 0 | 113.1 | ||||
| 862 | Q | 22.8 | Very low | 24.9 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | 70.7 | 138.9 | 150.3 | -85.5 | 168 | -82.6 | 0 | 0 | 122.4 | ||||
| 863 | E | 23 | Very low | 24.8 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | 70.1 | 152.9 | 139.6 | -74.6 | 161.3 | -146.1 | 0 | 0 | 123.4 | ||||
| 864 | D | 20.4 | Very low | 24.7 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | trans | -71 | -177.6 | 165.8 | -70.6 | -57.6 | 0 | 0 | 0 | 111.7 | ||||
| 865 | P | 39 | Very low | 24.8 | Very low | 106 Ų | 106 | 143.9 Ų | 143.9 | 69% | 0.688 | 77% | 0.766 | S | S | * | * | cis | -131.8 | -154.3 | -15.1 | 24.1 | 2.1 | 0 | 0 | 0 | 112.1 | ||||
| 866 | L | 20.8 | Very low | 24.8 | Very low | 141 Ų | 141 | 145.9 Ų | 145.9 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | 78.5 | 108.8 | 149.7 | -70.6 | 172.8 | 0 | 0 | 0 | 121.3 | ||||
| 867 | E | 22.3 | Very low | 24.3 | Very low | 169 Ų | 169 | 146.2 Ų | 146.2 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | 55.3 | 141.9 | 120.6 | -72.2 | -155 | 130.3 | 0 | 0 | 125.5 | |||||
| 868 | S | 23.9 | Very low | 24.3 | Very low | 97 Ų | 97 | 148.3 Ų | 148.3 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | 97.6 | 105.1 | 139.3 | 76 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 869 | F | 25.2 | Very low | 24.4 | Very low | 181 Ų | 181 | 146 Ų | 146 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | 43.3 | 129.6 | 134.1 | -71.2 | -83.3 | 0 | 0 | 0 | 121 | ||||
| 870 | N | 21.9 | Very low | 24.6 | Very low | 159 Ų | 159 | 145.4 Ų | 145.4 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | -153.3 | 159.8 | 97.8 | -113.6 | -71.3 | 0 | 0 | 0 | 116.5 | |||||
| 871 | Y | 23.3 | Very low | 24.7 | Very low | 194 Ų | 194 | 147.9 Ų | 147.9 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | trans | -63.4 | 153.6 | 177.1 | -116.7 | -118.8 | 0 | 0 | 0 | 112.9 | ||||
| 872 | V | 21.9 | Very low | 24.9 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | 178.6 | 145.5 | 110.5 | 150.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 873 | L | 23.5 | Very low | 26.5 | Very low | 153 Ų | 153 | 142 Ų | 142 | 80% | 0.801 | 78% | 0.777 | S | S | * | * | trans | -89.8 | 137 | 178.8 | 172.1 | 74.2 | 0 | 0 | 0 | 112.4 | ||||
| 874 | S | 22.4 | Very low | 27 | Very low | 100 Ų | 100 | 140.4 Ų | 140.4 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 165.4 | 139.1 | 122.4 | 51.7 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 875 | K | 25.2 | Very low | 27.6 | Very low | 197 Ų | 197 | 139.7 Ų | 139.7 | 86% | 0.857 | 77% | 0.769 | S | S | * | * | trans | 27.5 | 133.1 | 141.5 | -53.4 | 178.6 | 178.9 | 178.7 | 0 | 119.4 | ||||
| 876 | S | 24.6 | Very low | 27.3 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | 178.4 | 131.6 | 65.3 | 44.1 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 877 | T | 27.3 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 83% | 0.828 | 77% | 0.765 | S | S | * | * | trans | 13.6 | 136.4 | 144.8 | 48 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 878 | K | 23.6 | Very low | 28.4 | Very low | 215 Ų | 215 | 138.8 Ų | 138.8 | 94% | 0.935 | 76% | 0.759 | S | S | * | * | -154.4 | 167.1 | 118.6 | -115.5 | 176.2 | -178 | -178.2 | 0 | 112.2 | |||||
| 879 | A | 29.4 | Very low | 28.8 | Very low | 85 Ų | 85 | 141.4 Ų | 141.4 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -141.7 | -159.9 | -169 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 880 | D | 27.7 | Very low | 29 | Very low | 148 Ų | 148 | 137 Ų | 137 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | trans | 78 | 140.8 | 173.3 | -61.7 | -19.8 | 0 | 0 | 0 | 116.7 | ||||
| 881 | L | 27.3 | Very low | 29.3 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | cis | -153.7 | 156.9 | 4.8 | -120.8 | 161.8 | 0 | 0 | 0 | 111.5 | ||||
| 882 | G | 27.8 | Very low | 29.6 | Very low | 60 Ų | 60 | 134.9 Ų | 134.9 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | trans | -103.3 | -126.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 883 | P | 56.6 | Low | 29.8 | Very low | 121 Ų | 121 | 135.5 Ų | 135.5 | 79% | 0.786 | 74% | 0.736 | S | S | * | * | cis | -84.8 | -112.6 | -3.9 | 8.4 | 11 | 0 | 0 | 0 | 112.3 | ||||
| 884 | N | 32.6 | Very low | 29.9 | Very low | 131 Ų | 131 | 135 Ų | 135 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | cis | -172.7 | 130.5 | -2.6 | -177.3 | 92.6 | 0 | 0 | 0 | 109.3 | ||||
| 885 | L | 34.1 | Very low | 30 | Very low | 137 Ų | 137 | 137.1 Ų | 137.1 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | cis | -133.5 | -132.9 | -8.5 | -150.5 | 53.5 | 0 | 0 | 0 | 106 | ||||
| 886 | D | 32.5 | Very low | 30 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 62% | 0.615 | 72% | 0.724 | S | S | * | * | cis | -160.8 | 159.1 | -4 | -149.5 | 24.8 | 0 | 0 | 0 | 106.1 | ||||
| 887 | Q | 32.4 | Very low | 29.9 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 72% | 0.723 | S | S | * | * | cis | -138.5 | -119.1 | 2 | -162 | 171.9 | 108.2 | 0 | 0 | 110.5 | ||||
| 888 | L | 32.6 | Very low | 29.6 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | trans | -144.4 | 170.7 | -172.2 | -55.9 | 175.2 | 0 | 0 | 0 | 109.4 | ||||
| 889 | K | 32 | Very low | 30.4 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 66% | 0.657 | 71% | 0.711 | S | S | * | * | cis | -110.1 | 162.4 | 2.6 | -89.7 | -147.1 | 148.7 | -74.8 | 0 | 112.1 | D891 | K889-D891 IonicContact NZ-OD2 2.69Å; K889-D891 PolarHBondContact NZ-OD2 3.44Å | ||
| 890 | D | 30.3 | Very low | 30.2 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 48% | 0.476 | 72% | 0.723 | S | S | . | * | cis | 86.4 | 149.6 | 28.7 | -39.6 | -11.9 | 0 | 0 | 0 | 114.3 | ||||
| 891 | D | 28.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 136.7 Ų | 136.7 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | cis | -143.8 | 155.8 | 9.8 | -92.3 | -57.8 | 0 | 0 | 0 | 112.4 | K889 | K889-D891 IonicContact NZ-OD2 2.69Å; K889-D891 PolarHBondContact NZ-OD2 3.44Å | ||
| 892 | E | 28.3 | Very low | 30.2 | Very low | 180 Ų | 180 | 135.9 Ų | 135.9 | 84% | 0.841 | 71% | 0.714 | S | S | * | * | trans | -144.8 | 176.1 | 156.6 | -101.7 | -161.8 | 169 | 0 | 0 | 108.7 | ||||
| 893 | I | 27.8 | Very low | 30 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | 142.1 | 157.5 | 152 | -72.8 | 157.2 | 0 | 0 | 0 | 113.2 | ||||
| 894 | L | 23.8 | Very low | 28.5 | Very low | 142 Ų | 142 | 138.8 Ų | 138.8 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | trans | 85.6 | 133.7 | 177.8 | -45.1 | -179.6 | 0 | 0 | 0 | 115.1 | ||||
| 895 | H | 25.6 | Very low | 28.1 | Very low | 145 Ų | 145 | 139 Ų | 139 | 67% | 0.671 | 72% | 0.715 | S | S | * | * | cis | -168.1 | 158.4 | -5 | -124.5 | -37.5 | 0 | 0 | 0 | 113.5 | ||||
| 896 | H | 25.2 | Very low | 27.7 | Very low | 149 Ų | 149 | 138.4 Ų | 138.4 | 69% | 0.69 | 72% | 0.717 | S | S | * | * | trans | 78.6 | 129.2 | 143.5 | -79.3 | -60.3 | 0 | 0 | 0 | 125.6 | ||||
| 897 | C | 22.6 | Very low | 27.5 | Very low | 106 Ų | 106 | 139.4 Ų | 139.4 | 72% | 0.716 | 72% | 0.722 | S | S | * | * | trans | 71.4 | 111 | 133.4 | -65.1 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 898 | N | 21.1 | Very low | 27.1 | Very low | 159 Ų | 159 | 140.3 Ų | 140.3 | 85% | 0.85 | 73% | 0.727 | S | S | * | * | 35.9 | 152.5 | 104.2 | -92.5 | 18.9 | 0 | 0 | 0 | 122.5 | |||||
| 899 | P | 41 | Very low | 26.9 | Very low | 104 Ų | 104 | 138.5 Ų | 138.5 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | -131.9 | 164.2 | -110.6 | 42.7 | -29.9 | 0 | 0 | 0 | 119.1 | |||||
| 900 | W | 24.6 | Very low | 26.7 | Very low | 253 Ų | 253 | 138.9 Ų | 138.9 | 96% | 0.958 | 73% | 0.729 | S | S | * | * | trans | 64.8 | 171.6 | 165.1 | -77.6 | 20.5 | 0 | 0 | 0 | 116.1 | ||||
| 901 | P | 33.4 | Very low | 26.5 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | cis | -134.7 | -160.6 | 1.2 | 25.7 | 1.5 | 0 | 0 | 0 | 115.5 | ||||
| 902 | I | 22.1 | Very low | 26.4 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 72% | 0.718 | 74% | 0.736 | S | S | * | * | trans | 115.2 | 106.4 | 146 | -60.4 | 176.2 | 0 | 0 | 0 | 120.8 | ||||
| 903 | I | 23.7 | Very low | 26.3 | Very low | 143 Ų | 143 | 138 Ų | 138 | 73% | 0.733 | 74% | 0.735 | S | S | * | * | 43.4 | 130.5 | 127.9 | -49.2 | 174.6 | 0 | 0 | 0 | 119.2 | I905 | I903-I905 HydrophobicContact CG2-CD1 3.84Å; I903-I905 HydrophobicContact CG2-CG1 4.36Å | |||
| 904 | S | 23.3 | Very low | 26.1 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 73% | 0.729 | S | S | * | * | -159.8 | 132.8 | 61.7 | 61.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 905 | I | 25.7 | Very low | 26.1 | Very low | 136 Ų | 136 | 135.2 Ų | 135.2 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | 65.9 | 131.6 | 95.4 | -56.7 | 159.6 | 0 | 0 | 0 | 113.7 | I903 | I903-I905 HydrophobicContact CG2-CD1 3.84Å; I903-I905 HydrophobicContact CG2-CG1 4.36Å | |||
| 906 | T | 25.5 | Very low | 26.1 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 73% | 0.731 | S | S | * | * | cis | -117.6 | 146.1 | 26.4 | 47.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 907 | N | 27.3 | Very low | 26 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 73% | 0.733 | 73% | 0.73 | S | S | * | * | 63.4 | 136.6 | 68.9 | -75.4 | 22.2 | 0 | 0 | 0 | 114.1 | |||||
| 908 | E | 24.9 | Very low | 26.1 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | cis | -131.7 | 137.8 | 19.7 | -71.1 | -173.8 | 143.8 | 0 | 0 | 113.2 | ||||
| 909 | S | 27.1 | Very low | 26.3 | Very low | 92 Ų | 92 | 133.9 Ų | 133.9 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | 64.9 | 128.8 | 104.4 | 117.2 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 910 | Q | 28.2 | Very low | 25.4 | Very low | 159 Ų | 159 | 136.9 Ų | 136.9 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | cis | -156.1 | 174.7 | 14.8 | -97.1 | 159.3 | 88.2 | 0 | 0 | 108 | ||||
| 911 | N | 26.7 | Very low | 25.5 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 73% | 0.73 | S | S | * | * | cis | -151.7 | 168 | 0.3 | -117 | -15.8 | 0 | 0 | 0 | 108.2 | ||||
| 912 | A | 26.6 | Very low | 25 | Very low | 77 Ų | 77 | 131.4 Ų | 131.4 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | 51 | 122.4 | 74.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 913 | E | 25.4 | Very low | 25.3 | Very low | 176 Ų | 176 | 132.2 Ų | 132.2 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | cis | -135.9 | 139.6 | 8.6 | -62.4 | -179.8 | 135.4 | 0 | 0 | 108.2 | ||||
| 914 | S | 24.5 | Very low | 25.2 | Very low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | 48.1 | 130.1 | 67.2 | 65.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 915 | N | 24.3 | Very low | 25.4 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 75% | 0.751 | S | S | * | * | cis | -156.7 | 152.9 | 1.6 | -104.4 | -10.8 | 0 | 0 | 0 | 109.3 | ||||
| 916 | V | 24.5 | Very low | 25.3 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | 42.4 | 118.7 | 104.8 | -159.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 917 | S | 23.3 | Very low | 25.2 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | -164.2 | 154.8 | 61.7 | -42.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 918 | I | 24.6 | Very low | 25 | Very low | 149 Ų | 149 | 131.6 Ų | 131.6 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | 33.2 | 125.1 | 129.1 | -54.2 | 163.1 | 0 | 0 | 0 | 118.7 | |||||
| 919 | I | 24.8 | Very low | 25.2 | Very low | 171 Ų | 171 | 132.7 Ų | 132.7 | 88% | 0.877 | 76% | 0.76 | S | S | * | * | -150.9 | 155.2 | 128.9 | -102.1 | 152.3 | 0 | 0 | 0 | 108.7 | |||||
| 920 | E | 23.7 | Very low | 25.1 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -128.8 | -175.1 | -168.6 | -172.3 | 173.3 | -125.1 | 0 | 0 | 108.8 | ||||
| 921 | I | 26.3 | Very low | 24.9 | Very low | 152 Ų | 152 | 130 Ų | 130 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | trans | 92.1 | 114.6 | 160.5 | -55.9 | 172.8 | 0 | 0 | 0 | 118.5 | ||||
| 922 | A | 23.1 | Very low | 24.9 | Very low | 92 Ų | 92 | 131.1 Ų | 131.1 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | 67.9 | 147.6 | 141.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 923 | D | 27.1 | Very low | 24.9 | Very low | 157 Ų | 157 | 134.7 Ų | 134.7 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | -68.5 | 158.8 | 160.2 | -44.6 | -94.6 | 0 | 0 | 0 | 112.4 | ||||
| 924 | D | 22.8 | Very low | 25 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | -154.9 | 168.2 | 124.4 | -144.4 | -22.1 | 0 | 0 | 0 | 111.3 | |||||
| 925 | L | 26.8 | Very low | 25.2 | Very low | 154 Ų | 154 | 132.5 Ų | 132.5 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -99.8 | 167.9 | -171.4 | -76.9 | 165.2 | 0 | 0 | 0 | 114.2 | ||||
| 926 | S | 23.2 | Very low | 25.3 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | 98.8 | 120 | 145.3 | 82.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 927 | A | 23.9 | Very low | 25.5 | Very low | 88 Ų | 88 | 133.5 Ų | 133.5 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | 85 | 136.8 | 124.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 928 | S | 23.6 | Very low | 25.7 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 68.9 | 94.4 | 148.9 | 40.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 929 | H | 29.2 | Very low | 25.8 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -6.4 | 123.7 | 134.6 | -66.2 | -89.8 | 0 | 0 | 0 | 117.9 | ||||
| 930 | S | 24 | Very low | 25.9 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | -176.3 | 165.7 | 122.9 | 64.1 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 931 | A | 25.2 | Very low | 26.1 | Very low | 73 Ų | 73 | 131 Ų | 131 | 60% | 0.603 | 77% | 0.774 | S | S | * | * | cis | -162.3 | 167.6 | 8.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 932 | L | 26.7 | Very low | 26.1 | Very low | 148 Ų | 148 | 129.9 Ų | 129.9 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | 68 | 148.3 | 150.6 | -57.5 | 167.7 | 0 | 0 | 0 | 117.5 | ||||
| 933 | Q | 26.3 | Very low | 26.2 | Very low | 153 Ų | 153 | 132 Ų | 132 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | cis | -155.2 | -176.3 | -14 | -138.7 | 163.1 | -15.3 | 0 | 0 | 111.3 | ||||
| 934 | D | 26.8 | Very low | 26.2 | Very low | 138 Ų | 138 | 133 Ų | 133 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | 67.4 | 111 | 168.1 | -56.4 | -17.7 | 0 | 0 | 0 | 117 | ||||
| 935 | A | 28.7 | Very low | 26.1 | Very low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | 88.4 | 138 | 52.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 936 | Q | 27.1 | Very low | 25.9 | Very low | 184 Ų | 184 | 134.7 Ų | 134.7 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | cis | -160.4 | 150.1 | 5.9 | -135 | 172.1 | 11.5 | 0 | 0 | 112 | ||||
| 937 | A | 27.7 | Very low | 26.1 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 79% | 0.793 | 76% | 0.756 | S | S | * | * | trans | 51.2 | 152.7 | 151.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 938 | S | 28.1 | Very low | 25.9 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | -138.3 | 146 | 5.7 | 63.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 939 | E | 26.6 | Very low | 26 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | 54.5 | 137.4 | 59.5 | -70.6 | -163.1 | 167.5 | 0 | 0 | 114.5 | |||||
| 940 | A | 27.5 | Very low | 25.8 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 74% | 0.744 | 75% | 0.75 | S | S | * | * | cis | -164.9 | -171.2 | -16.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 941 | K | 26.9 | Very low | 25.9 | Very low | 155 Ų | 155 | 133 Ų | 133 | 67% | 0.674 | 75% | 0.746 | S | S | * | * | cis | -159.6 | -175.2 | 0.5 | -164 | -143.9 | 158.6 | -151.9 | 0 | 106.7 | E943 | K941-E943 IonicContact NZ-OE1 3.75Å; K941-E943 PolarHBondContact NZ-OE1 3.47Å | ||
| 942 | L | 25.9 | Very low | 25.9 | Very low | 130 Ų | 130 | 138 Ų | 138 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | trans | 82.3 | 143.3 | 161.5 | -53.8 | 172.2 | 0 | 0 | 0 | 117.7 | ||||
| 943 | E | 26.7 | Very low | 25.8 | Very low | 135 Ų | 135 | 141.4 Ų | 141.4 | 63% | 0.631 | 76% | 0.762 | S | S | * | * | cis | -163.8 | 148.9 | -29 | -152 | 145.4 | -116.4 | 0 | 0 | 110.5 | K941 | K941-E943 IonicContact NZ-OE1 3.75Å; K941-E943 PolarHBondContact NZ-OE1 3.47Å | ||
| 944 | E | 25.8 | Very low | 25.7 | Very low | 179 Ų | 179 | 138.7 Ų | 138.7 | 84% | 0.836 | 77% | 0.765 | S | S | * | * | trans | 45.4 | 162.5 | 158.6 | -76 | -169.6 | 137.1 | 0 | 0 | 126.8 | ||||
| 945 | E | 22.3 | Very low | 25.5 | Very low | 141 Ų | 141 | 136.2 Ų | 136.2 | 66% | 0.659 | 76% | 0.758 | S | S | * | * | trans | 75.5 | 105.7 | 162.3 | -65.3 | -122.6 | 92.4 | 0 | 0 | 123.9 | ||||
| 946 | R | 22.5 | Very low | 25.3 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 79% | 0.789 | 76% | 0.757 | S | S | * | * | 51.2 | 125.4 | 127.9 | -68.2 | -173.8 | 171.3 | 131.7 | -13 | 123.8 | |||||
| 947 | L | 25.9 | Very low | 25.4 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | trans | 62.1 | 119.9 | 140.9 | -61.2 | 171.7 | 0 | 0 | 0 | 120.8 | ||||
| 948 | A | 21.2 | Very low | 25.4 | Very low | 88 Ų | 88 | 135.4 Ų | 135.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 169.9 | 138.9 | 103.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 949 | S | 24 | Very low | 25.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 84% | 0.839 | 71% | 0.71 | S | S | * | * | trans | 68 | 136.8 | 149.6 | 73 | 0 | 0 | 0 | 0 | 122 | ||||
| 950 | S | 25.6 | Very low | 25.7 | Very low | 102 Ų | 102 | 132.8 Ų | 132.8 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | -100.6 | 159 | 167.2 | -36.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 951 | P | 27 | Very low | 26 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 69% | 0.692 | S | S | * | * | trans | -95.8 | 107.3 | 153.2 | 32.7 | -25.3 | 0 | 0 | 0 | 110.4 | ||||
| 952 | Q | 25.6 | Very low | 26 | Very low | 180 Ų | 180 | 133.7 Ų | 133.7 | 84% | 0.841 | 70% | 0.698 | S | S | * | * | trans | -79.1 | 125 | 170.7 | -69.9 | 173.4 | -25.4 | 0 | 0 | 110.4 | ||||
| 953 | Y | 24.4 | Very low | 25.9 | Very low | 219 Ų | 219 | 135.1 Ų | 135.1 | 86% | 0.859 | 71% | 0.706 | S | S | * | * | trans | -116.5 | 87.5 | 160.8 | -95.3 | -80.8 | 0 | 0 | 0 | 110 | C955 | Y953-C955 PolarHBondContact O-N 2.93Š| ||
| 954 | A | 23.1 | Very low | 25.9 | Very low | 95 Ų | 95 | 134.2 Ų | 134.2 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -87.6 | 95.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 955 | C | 23.3 | Very low | 26 | Very low | 87 Ų | 87 | 129.8 Ų | 129.8 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | trans | -97.2 | 108 | 167.7 | -71.8 | 0 | 0 | 0 | 0 | 110 | Y953 F957 | Y953-C955 PolarHBondContact O-N 2.93Å; C955-F957 PolarHBondContact O-N 2.79Å; C955-F957 VanDerWaalsContact O-N 3.14Å | ||
| 956 | D | 23.9 | Very low | 26.1 | Very low | 128 Ų | 128 | 131 Ų | 131 | 68% | 0.684 | 72% | 0.72 | S | S | * | * | trans | -83.7 | 88.6 | -171.9 | -127.8 | 19.8 | 0 | 0 | 0 | 110.8 | N958 | D956-N958 PolarHBondContact O-N 3.48Å; D956-N958 PolarHBondContact OD2-ND2 3.11Å; D956-N958 VanDerWaalsContact OD2-ND2 3.11Å | ||
| 957 | F | 28.5 | Very low | 26.3 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 55% | 0.548 | 72% | 0.719 | S | S | . | * | trans | -68.4 | 63.8 | 174.9 | -85.6 | -87.9 | 0 | 0 | 0 | 112.7 | C955 L959 | C955-F957 PolarHBondContact O-N 2.79Å; C955-F957 VanDerWaalsContact O-N 3.14Å; F957-L959 PolarHBondContact O-N 2.77Å; F957-L959 VanDerWaalsContact O-N 3.12Å | ||
| 958 | N | 28.7 | Very low | 26.2 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 51% | 0.513 | 72% | 0.718 | S | S | . | * | trans | -78.2 | 85.9 | 167.3 | -72.8 | -71.2 | 0 | 0 | 0 | 108.9 | D956 F960 | D956-N958 PolarHBondContact O-N 3.48Å; D956-N958 PolarHBondContact OD2-ND2 3.11Å; D956-N958 VanDerWaalsContact OD2-ND2 3.11Å; N958-F960 PolarHBondContact O-N 2.83Å | ||
| 959 | L | 33.2 | Very low | 26.4 | Very low | 64 Ų | 64 | 134.2 Ų | 134.2 | 34% | 0.335 | 72% | 0.72 | S | S | . | * | trans | -61 | 100 | 174.8 | -76.6 | 166.7 | 0 | 0 | 0 | 110.6 | F957 L961 | F957-L959 PolarHBondContact O-N 2.77Å; F957-L959 VanDerWaalsContact O-N 3.12Å; L959-L961 PolarHBondContact O-N 3.25Å; L959-L961 VanDerWaalsContact O-N 3.07Å | ||
| 960 | F | 27.4 | Very low | 26.4 | Very low | 164 Ų | 164 | 135 Ų | 135 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | trans | -65.3 | 103.7 | 167.8 | -95.5 | -101 | 0 | 0 | 0 | 109.3 | N958 E962 | N958-F960 PolarHBondContact O-N 2.83Å; F960-E962 PolarHBondContact O-N 3.03Å | ||
| 961 | L | 33.9 | Very low | 26.3 | Very low | 92 Ų | 92 | 139.5 Ų | 139.5 | 48% | 0.482 | 72% | 0.721 | S | S | . | * | trans | -83.8 | 89.2 | 171.5 | -65.3 | 175 | 0 | 0 | 0 | 109 | L401 L959 | L401-L961 HydrophobicContact CD1-CD2 3.81Å; L401-L961 HydrophobicContact CD2-CD2 3.86Å; L959-L961 PolarHBondContact O-N 3.25Å; L959-L961 VanDerWaalsContact O-N 3.07Å | ||
| 962 | E | 26.4 | Very low | 26.2 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | trans | -81.7 | 124.7 | 166.3 | -65.1 | -159.5 | 134.4 | 0 | 0 | 110.2 | F960 S964 | F960-E962 PolarHBondContact O-N 3.03Å; E962-S964 VanDerWaalsContact C-N 3.27Å; E962-S964 PolarHBondContact O-N 3.23Å | ||
| 963 | D | 24.6 | Very low | 26.1 | Very low | 160 Ų | 160 | 134.5 Ų | 134.5 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | -69.6 | 82.3 | 170.8 | -73 | -43.9 | 0 | 0 | 0 | 109.4 | A965 | D963-A965 PolarHBondContact O-N 3.41Š| ||
| 964 | S | 26.6 | Very low | 26.1 | Very low | 116 Ų | 116 | 133.8 Ų | 133.8 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -64.9 | 124.5 | 176.5 | -171.6 | 0 | 0 | 0 | 0 | 110.8 | E962 | E962-S964 VanDerWaalsContact C-N 3.27Å; E962-S964 PolarHBondContact O-N 3.23Å | ||
| 965 | A | 27.2 | Very low | 26.1 | Very low | 86 Ų | 86 | 134 Ų | 134 | 71% | 0.711 | 72% | 0.722 | S | S | * | * | trans | -101.6 | 118.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | D963 N967 | D963-A965 PolarHBondContact O-N 3.41Å; A965-N967 PolarHBondContact O-N 3.16Å | ||
| 966 | D | 26.1 | Very low | 26.1 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 90% | 0.898 | 73% | 0.728 | S | S | * | * | trans | -56.3 | 112 | 173.9 | -89.1 | -45.2 | 0 | 0 | 0 | 110.9 | ||||
| 967 | N | 25.4 | Very low | 26.1 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -125.5 | 69.9 | 174.3 | -161.9 | 26.9 | 0 | 0 | 0 | 109.5 | A965 Q969 | A965-N967 PolarHBondContact O-N 3.16Å; N967-Q969 PolarHBondContact O-N 3.44Å | ||
| 968 | R | 23.9 | Very low | 26 | Very low | 222 Ų | 222 | 140.1 Ų | 140.1 | 84% | 0.838 | 74% | 0.742 | S | S | * | * | trans | -69.8 | 107.3 | -177.4 | -173.1 | -173 | -68 | -154.4 | 1.6 | 110.3 | ||||
| 969 | Q | 26 | Very low | 25.8 | Very low | 163 Ų | 163 | 142.5 Ų | 142.5 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | -109.7 | 130.6 | 161.6 | -74.7 | -167.1 | -38.1 | 0 | 0 | 109.9 | N967 | N967-Q969 PolarHBondContact O-N 3.44Š| ||
| 970 | N | 24.2 | Very low | 25.4 | Very low | 137 Ų | 137 | 146.9 Ų | 146.9 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | trans | -79.6 | 138.2 | 177.8 | -59.8 | -12.4 | 0 | 0 | 0 | 109.8 | ||||
| 971 | F | 23.5 | Very low | 25.3 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -128.3 | 128.8 | 153 | -88.9 | -81.7 | 0 | 0 | 0 | 109 | ||||
| 972 | S | 23.2 | Very low | 24.8 | Very low | 117 Ų | 117 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -67.2 | 138 | 175.4 | 48.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 973 | G | 24.8 | Very low | 24.7 | Very low | 75 Ų | 75 | 150.2 Ų | 150.2 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | trans | -79.5 | 179.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 974 | Q | 23.6 | Very low | 24.6 | Very low | 203 Ų | 203 | 147.6 Ų | 147.6 | 95% | 0.949 | 78% | 0.783 | S | S | * | * | trans | -133.5 | 153.7 | 156.8 | -95.3 | -177.7 | -21.4 | 0 | 0 | 109.3 | ||||
| 975 | S | 23.8 | Very low | 24.6 | Very low | 101 Ų | 101 | 149.9 Ų | 149.9 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | trans | -101.6 | -167 | -168.9 | 50.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 976 | L | 24.1 | Very low | 24.4 | Very low | 140 Ų | 140 | 151.9 Ų | 151.9 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | 81.9 | 141.6 | -178.7 | -70.8 | 64.5 | 0 | 0 | 0 | 113.5 | ||||
| 977 | E | 23.3 | Very low | 24.2 | Very low | 172 Ų | 172 | 146.5 Ų | 146.5 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -150.9 | 169.4 | 0.2 | -134.7 | 160.4 | -159.8 | 0 | 0 | 113.9 | ||||
| 978 | H | 25.4 | Very low | 24.2 | Very low | 155 Ų | 155 | 145.5 Ų | 145.5 | 72% | 0.718 | 78% | 0.781 | S | S | * | * | trans | -71 | 147.9 | 177.6 | -87.5 | -125 | 0 | 0 | 0 | 113.5 | ||||
| 979 | V | 24.5 | Very low | 24.3 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | trans | -136.2 | 122 | 140.2 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 980 | E | 26 | Very low | 24.9 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | trans | -91.2 | 152.8 | 176.4 | -56.6 | 179.6 | 125.7 | 0 | 0 | 112.4 | ||||
| 981 | K | 24.8 | Very low | 24.9 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 171.4 | 144.2 | 148.3 | -98.1 | 157.7 | 179.1 | 175.7 | 0 | 110.1 | ||||
| 982 | E | 23.8 | Very low | 25 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 62% | 0.617 | 77% | 0.77 | S | S | * | * | cis | -171.9 | 162.5 | -18 | -147.8 | -176.9 | -113 | 0 | 0 | 108.8 | ||||
| 983 | K | 24.6 | Very low | 25.1 | Very low | 176 Ų | 176 | 138.9 Ų | 138.9 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 69.3 | 150.1 | 169.8 | -54.6 | 173.9 | 177.7 | 73.4 | 0 | 114.9 | ||||
| 984 | S | 22.5 | Very low | 25 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -176.4 | 165.1 | -14 | 55.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 985 | L | 25.1 | Very low | 25 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 86% | 0.864 | 76% | 0.764 | S | S | * | * | cis | -162.4 | -174.4 | 5.5 | -133 | 173.5 | 0 | 0 | 0 | 108.4 | ||||
| 986 | C | 24.5 | Very low | 24.9 | Very low | 128 Ų | 128 | 138.3 Ų | 138.3 | 87% | 0.865 | 77% | 0.773 | S | S | * | * | trans | 75.7 | 133.5 | 167.9 | -149.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 987 | G | 21.5 | Very low | 24.9 | Very low | 55 Ų | 55 | 137.1 Ų | 137.1 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | cis | 163.2 | 126 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 988 | S | 25.3 | Very low | 24.9 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 60 | 132.5 | 175.6 | 44.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 989 | A | 25.2 | Very low | 24.8 | Very low | 94 Ų | 94 | 134.2 Ų | 134.2 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | cis | 81.2 | 153.7 | 24.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 990 | P | 39.2 | Very low | 24.7 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 67% | 0.669 | 77% | 0.765 | S | S | * | * | cis | -136.9 | -163.2 | -6.8 | 37.6 | -16.3 | 0 | 0 | 0 | 115.2 | ||||
| 991 | N | 24.8 | Very low | 24.4 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | 81.8 | 141.8 | 161.2 | -63.2 | -25 | 0 | 0 | 0 | 118.5 | ||||
| 992 | S | 25.9 | Very low | 24.3 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | cis | -162.9 | 141.2 | -3.9 | 53.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 993 | R | 23.5 | Very low | 24.2 | Very low | 245 Ų | 245 | 132.2 Ų | 132.2 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | 49.5 | 138.3 | 124.7 | -164.7 | -174.2 | -166 | 178.5 | 4.8 | 121.2 | |||||
| 994 | A | 23.6 | Very low | 24.1 | Very low | 93 Ų | 93 | 127.8 Ų | 127.8 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | cis | -175.9 | 151.2 | -21.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 995 | G | 23.4 | Very low | 24 | Very low | 69 Ų | 69 | 134.1 Ų | 134.1 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 83.3 | 167.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 996 | F | 22.3 | Very low | 23.8 | Very low | 205 Ų | 205 | 132.8 Ų | 132.8 | 90% | 0.899 | 76% | 0.762 | S | S | * | * | cis | -171 | 159 | -13.4 | -136.6 | -60 | 0 | 0 | 0 | 109.6 | ||||
| 997 | V | 23.1 | Very low | 23.7 | Very low | 115 Ų | 115 | 135.6 Ų | 135.6 | 70% | 0.697 | 76% | 0.76 | S | S | * | * | trans | 82.7 | 117.9 | 156.2 | -179.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 998 | H | 24.2 | Very low | 23.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | 28.9 | 120.5 | 142.3 | -61.2 | -48.7 | 0 | 0 | 0 | 126.4 | ||||
| 999 | S | 22.4 | Very low | 23.8 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | 79.6 | 141.2 | 110.8 | 84.7 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1000 | K | 23 | Very low | 23.8 | Very low | 188 Ų | 188 | 140.4 Ų | 140.4 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | trans | 74.2 | 140 | 141.5 | -88 | -174.5 | 175 | -177.7 | 0 | 121.5 | ||||
| 1001 | T | 20.3 | Very low | 23.2 | Very low | 128 Ų | 128 | 140.2 Ų | 140.2 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 61.7 | 124.7 | 161 | 39.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1002 | C | 22.5 | Very low | 23.2 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | cis | 81.5 | 138.7 | 48.3 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1003 | L | 21 | Very low | 23.5 | Very low | 158 Ų | 158 | 143.5 Ų | 143.5 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | 71.6 | 152 | -170.5 | -52.9 | -179.6 | 0 | 0 | 0 | 114.5 | ||||
| 1004 | S | 22 | Very low | 24.7 | Very low | 83 Ų | 83 | 136.2 Ų | 136.2 | 58% | 0.58 | 73% | 0.727 | S | S | * | * | cis | 165.4 | 128.4 | -43.3 | 50.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1005 | W | 20.8 | Very low | 24.8 | Very low | 237 Ų | 237 | 140.5 Ų | 140.5 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | trans | 168.2 | 158.5 | 160.6 | -89.8 | -27.4 | 0 | 0 | 0 | 109.7 | ||||
| 1006 | E | 20.9 | Very low | 24.9 | Very low | 137 Ų | 137 | 144.9 Ų | 144.9 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | cis | -177.6 | 175.2 | -36.5 | -129.7 | 174 | -154.7 | 0 | 0 | 107.9 | ||||
| 1007 | F | 21.8 | Very low | 25 | Very low | 187 Ų | 187 | 139.7 Ų | 139.7 | 82% | 0.82 | 72% | 0.718 | S | S | * | * | trans | 65.4 | 151.3 | 179.2 | -60.4 | -88.8 | 0 | 0 | 0 | 115.1 | ||||
| 1008 | S | 23.1 | Very low | 25 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 60% | 0.601 | 72% | 0.722 | S | S | * | * | cis | -175 | 156.1 | -18.3 | -109.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 1009 | E | 27.1 | Very low | 25 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 67% | 0.668 | 72% | 0.715 | S | S | * | * | cis | -161.8 | -177.7 | 4.7 | -131.1 | 155.6 | 106.2 | 0 | 0 | 106.6 | ||||
| 1010 | K | 25.2 | Very low | 24.9 | Very low | 143 Ų | 143 | 141.3 Ų | 141.3 | 62% | 0.622 | 72% | 0.72 | S | S | * | * | cis | -152.1 | 157 | 8.4 | -164.9 | 153.3 | -164.3 | 61.9 | 0 | 113.6 | ||||
| 1011 | D | 26.1 | Very low | 24.9 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 53% | 0.529 | 72% | 0.718 | S | S | . | * | trans | -18.4 | 158.8 | 146.7 | -28.6 | -36.2 | 0 | 0 | 0 | 117.4 | ||||
| 1012 | D | 24.9 | Very low | 25 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | cis | -131.6 | 118 | 21.4 | -66.7 | -71.5 | 0 | 0 | 0 | 115.1 | ||||
| 1013 | E | 31.6 | Very low | 25 | Very low | 170 Ų | 170 | 141.5 Ų | 141.5 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | 37.4 | 160.4 | 115.5 | -71.1 | -63.1 | 87.5 | 0 | 0 | 124.5 | |||||
| 1014 | P | 49.4 | Very low | 25.1 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 60% | 0.597 | 72% | 0.724 | S | S | * | * | trans | -139.9 | -158.3 | -141.5 | 46.9 | -27.3 | 0 | 0 | 0 | 115.1 | ||||
| 1015 | E | 26 | Very low | 25.2 | Very low | 184 Ų | 184 | 146.2 Ų | 146.2 | 86% | 0.86 | 73% | 0.73 | S | S | * | * | trans | -136 | 124.3 | 140.5 | -83.9 | -174.7 | 171.7 | 0 | 0 | 107.2 | ||||
| 1016 | E | 25.5 | Very low | 25.3 | Very low | 161 Ų | 161 | 144.6 Ų | 144.6 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | 74.5 | 132.5 | 68.6 | -75 | -101.5 | 122.5 | 0 | 0 | 112.8 | |||||
| 1017 | V | 24.3 | Very low | 25.6 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 58% | 0.582 | 74% | 0.735 | S | S | * | * | cis | -165.1 | 146.7 | -3.3 | 82.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1018 | V | 22.9 | Very low | 25.8 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 76% | 0.764 | 74% | 0.737 | S | S | * | * | trans | 49.7 | 147.4 | 137.8 | 152.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1019 | V | 24 | Very low | 25.9 | Very low | 105 Ų | 105 | 149.5 Ų | 149.5 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | cis | -176 | 170.6 | -18.1 | 78.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1020 | K | 21.2 | Very low | 25.7 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 80% | 0.796 | 74% | 0.744 | S | S | * | * | trans | 63.5 | 108.8 | 160 | -73.3 | 163.9 | -164.7 | 161.8 | 0 | 120.7 | ||||
| 1021 | A | 23.2 | Very low | 25.6 | Very low | 95 Ų | 95 | 148.6 Ų | 148.6 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | 51.3 | 159.2 | 104.5 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 1022 | K | 22.5 | Very low | 25.5 | Very low | 188 Ų | 188 | 148.1 Ų | 148.1 | 82% | 0.817 | 76% | 0.757 | S | S | * | * | trans | 86.2 | 113.8 | 175.5 | -65.7 | -166.3 | 175.1 | 178.1 | 0 | 114.5 | ||||
| 1023 | I | 22.4 | Very low | 25.4 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | 90 | 141.1 | 71.3 | -79.5 | 172.2 | 0 | 0 | 0 | 112.6 | |||||
| 1024 | R | 21.7 | Very low | 25.2 | Very low | 240 Ų | 240 | 143.3 Ų | 143.3 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | 93 | 131.6 | 164.3 | -91.8 | 170.5 | -175.1 | 175.2 | 1.3 | 119.2 | ||||
| 1025 | S | 23.8 | Very low | 24.2 | Very low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | trans | -86.2 | 155.8 | 163.3 | 51.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1026 | K | 24.5 | Very low | 24.4 | Very low | 204 Ų | 204 | 145.6 Ų | 145.6 | 89% | 0.887 | 76% | 0.759 | S | S | * | * | -173.3 | 161.3 | 111.2 | -101.5 | 172.8 | 179.8 | 178.8 | 0 | 111.8 | |||||
| 1027 | A | 26.9 | Very low | 24.7 | Very low | 92 Ų | 92 | 146.7 Ų | 146.7 | 76% | 0.76 | 76% | 0.764 | S | S | * | * | trans | -90.9 | 176.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1028 | R | 25.9 | Very low | 24.9 | Very low | 225 Ų | 225 | 149.7 Ų | 149.7 | 85% | 0.849 | 78% | 0.777 | S | S | * | * | trans | 119.3 | 150.1 | 170.9 | -72.8 | 175.1 | -177.2 | -159.2 | 0.9 | 112.7 | ||||
| 1029 | R | 24.2 | Very low | 25 | Very low | 196 Ų | 196 | 150.8 Ų | 150.8 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | cis | 176.5 | 139.4 | -11.4 | 175.4 | -171.7 | -156 | -161 | 8 | 110.9 | ||||
| 1030 | I | 23.9 | Very low | 25.4 | Very low | 135 Ų | 135 | 149.8 Ų | 149.8 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 77.9 | 115.9 | 152.1 | -80.5 | 172.8 | 0 | 0 | 0 | 121.7 | ||||
| 1031 | V | 23.1 | Very low | 25.5 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | 81.7 | 145.2 | 127.9 | 167.6 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1032 | S | 24.4 | Very low | 25.8 | Very low | 88 Ų | 88 | 152.4 Ų | 152.4 | 62% | 0.615 | 77% | 0.77 | S | S | * | * | trans | 99.4 | 110.2 | 155.9 | -164.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1033 | D | 22.8 | Very low | 25.8 | Very low | 156 Ų | 156 | 149.7 Ų | 149.7 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | 46.2 | 149.1 | 126.2 | -36.7 | -44.2 | 0 | 0 | 0 | 121.3 | |||||
| 1034 | G | 26.3 | Very low | 25.9 | Very low | 65 Ų | 65 | 148.7 Ų | 148.7 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | cis | -179.7 | -168 | 0.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1035 | E | 29.6 | Very low | 26.1 | Very low | 183 Ų | 183 | 142.5 Ų | 142.5 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | trans | 68.5 | 145.2 | 167.5 | -61.9 | 169.3 | -169.3 | 0 | 0 | 116.6 | ||||
| 1036 | D | 29.4 | Very low | 26 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | cis | -163.7 | -172.3 | -10.6 | -114.4 | -2.8 | 0 | 0 | 0 | 112.6 | ||||
| 1037 | E | 32.1 | Very low | 26.1 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 76% | 0.755 | S | S | * | * | trans | 98.9 | 121.8 | 167 | -61.7 | -74.5 | 138.3 | 0 | 0 | 119.3 | ||||
| 1038 | D | 27.9 | Very low | 26.2 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 85% | 0.85 | 76% | 0.759 | S | S | * | * | trans | -106.6 | 165.6 | 176.4 | -86.1 | -51.9 | 0 | 0 | 0 | 111.7 | ||||
| 1039 | D | 26.2 | Very low | 26.7 | Very low | 150 Ų | 150 | 136.4 Ų | 136.4 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | -153.8 | 173.4 | 129.7 | -148.9 | -13.2 | 0 | 0 | 0 | 111.9 | |||||
| 1040 | S | 30.3 | Very low | 26.7 | Very low | 84 Ų | 84 | 136.1 Ų | 136.1 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | -146.8 | -158.5 | -129.2 | 67.9 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1041 | F | 23.9 | Very low | 26.6 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 84.7 | 104.8 | -174.2 | -66.9 | -98.3 | 0 | 0 | 0 | 115.9 | ||||
| 1042 | K | 29.3 | Very low | 26.6 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 73% | 0.726 | 75% | 0.75 | S | S | * | * | 88 | 143.5 | 65.1 | -80 | 178 | -180 | 171.8 | 0 | 113.1 | |||||
| 1043 | D | 23.3 | Very low | 26.6 | Very low | 132 Ų | 132 | 135.1 Ų | 135.1 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -144.4 | -179.5 | 25.9 | -126.2 | -43.2 | 0 | 0 | 0 | 116.3 | ||||
| 1044 | T | 24.3 | Very low | 26.6 | Very low | 124 Ų | 124 | 134.8 Ų | 134.8 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | -53.9 | 170.3 | -177.2 | 62.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1045 | S | 24.9 | Very low | 26.5 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 75% | 0.751 | S | S | * | * | cis | -162 | 170.6 | 38.3 | 63.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1046 | S | 23.8 | Very low | 26.2 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -71.4 | 164.2 | -176.2 | 55.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1047 | T | 25.8 | Very low | 26 | Very low | 125 Ų | 125 | 139.9 Ų | 139.9 | 77% | 0.767 | 75% | 0.747 | S | S | * | * | -176.1 | 139.7 | 112.5 | -70.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1048 | N | 28.6 | Very low | 25.6 | Very low | 159 Ų | 159 | 136.7 Ų | 136.7 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | trans | -116.6 | 142.5 | 161 | -110.1 | -17.5 | 0 | 0 | 0 | 107.3 | ||||
| 1049 | P | 37.1 | Very low | 25.5 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | -154 | 177.1 | 101.2 | 39.4 | -21.2 | 0 | 0 | 0 | 117 | |||||
| 1050 | F | 23.4 | Very low | 25.5 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | trans | -22.7 | 159.3 | 151.2 | -52.3 | -98.1 | 0 | 0 | 0 | 116 | ||||
| 1051 | N | 22.1 | Very low | 25.4 | Very low | 132 Ų | 132 | 138.5 Ų | 138.5 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | cis | -174.9 | 178.1 | 44.2 | -152 | -6.8 | 0 | 0 | 0 | 113.2 | ||||
| 1052 | T | 23.1 | Very low | 25.5 | Very low | 109 Ų | 109 | 138.2 Ų | 138.2 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | trans | 50.2 | 107.7 | 155.4 | 47.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 1053 | S | 23.4 | Very low | 25.3 | Very low | 94 Ų | 94 | 139.1 Ų | 139.1 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | 70.5 | 120.5 | 68.3 | 77.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1054 | L | 23.2 | Very low | 25.3 | Very low | 149 Ų | 149 | 140 Ų | 140 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | -179.6 | 150.3 | 115.4 | -108.7 | 113.8 | 0 | 0 | 0 | 112 | |||||
| 1055 | F | 24.1 | Very low | 25.4 | Very low | 160 Ų | 160 | 138 Ų | 138 | 70% | 0.702 | 76% | 0.758 | S | S | * | * | trans | -5.6 | 162.3 | 150 | -60 | -106.1 | 0 | 0 | 0 | 119.6 | ||||
| 1056 | Q | 24.3 | Very low | 25.5 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 78% | 0.78 | 76% | 0.762 | S | S | * | * | cis | -165.3 | 135.7 | 32.8 | -151 | 156 | -16.4 | 0 | 0 | 115.6 | ||||
| 1057 | F | 24.4 | Very low | 25.7 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | trans | 30.6 | 142.6 | 145.4 | -79 | -106.8 | 0 | 0 | 0 | 125.2 | ||||
| 1058 | S | 23.5 | Very low | 26.5 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | 79.9 | 151.5 | 139 | 77 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1059 | S | 26.1 | Very low | 26.3 | Very low | 116 Ų | 116 | 140.5 Ų | 140.5 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | cis | -140.2 | 163.4 | 29.8 | 63.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1060 | V | 26.8 | Very low | 25.8 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 76% | 0.764 | 77% | 0.767 | S | S | * | * | trans | -100.2 | 144.5 | -173.4 | 170.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1061 | K | 27 | Very low | 25.8 | Very low | 189 Ų | 189 | 141 Ų | 141 | 82% | 0.822 | 77% | 0.767 | S | S | * | * | trans | -172.9 | 111.5 | 143.7 | -99.8 | 153.2 | -176.4 | -178 | 0 | 108.3 | ||||
| 1062 | Q | 26.5 | Very low | 26 | Very low | 160 Ų | 160 | 141.8 Ų | 141.8 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | 79.2 | 121.5 | 75.3 | -86.8 | -172.8 | -49.9 | 0 | 0 | 115.2 | |||||
| 1063 | F | 25.2 | Very low | 26.1 | Very low | 186 Ų | 186 | 142 Ų | 142 | 82% | 0.816 | 78% | 0.775 | S | S | * | * | trans | 4.2 | 151.7 | 145.8 | -64.1 | -91.1 | 0 | 0 | 0 | 119.4 | ||||
| 1064 | D | 24 | Very low | 27 | Very low | 150 Ų | 150 | 143 Ų | 143 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | cis | -154.5 | -176.3 | 33.4 | -135.9 | -39.4 | 0 | 0 | 0 | 114.9 | ||||
| 1065 | A | 26.8 | Very low | 27.4 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | trans | -83.7 | 158.1 | -166.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1066 | S | 26.6 | Very low | 27.4 | Very low | 122 Ų | 122 | 138 Ų | 138 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -178.8 | 153.4 | 134.3 | 39.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1067 | T | 27 | Very low | 27.8 | Very low | 135 Ų | 135 | 141.3 Ų | 141.3 | 83% | 0.828 | 79% | 0.791 | S | S | * | * | trans | -124.5 | 179.3 | 166.5 | 27.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 1068 | P | 42.6 | Very low | 27.8 | Very low | 104 Ų | 104 | 143 Ų | 143 | 68% | 0.675 | 80% | 0.798 | S | S | * | * | cis | -134.8 | 177.7 | -0.3 | 27.4 | -3.6 | 0 | 0 | 0 | 115.7 | ||||
| 1069 | K | 25.4 | Very low | 28 | Very low | 189 Ų | 189 | 146.2 Ų | 146.2 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | trans | 139.5 | 136 | 130.1 | -76.5 | -175.4 | 178.4 | -179.8 | 0 | 116.1 | ||||
| 1070 | N | 25.4 | Very low | 27.9 | Very low | 149 Ų | 149 | 146.3 Ų | 146.3 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -3.6 | 139.1 | 159.8 | -46.7 | 6 | 0 | 0 | 0 | 119.7 | ||||
| 1071 | D | 24.9 | Very low | 27.8 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 84% | 0.84 | 79% | 0.792 | S | S | * | * | -154.8 | -173.8 | 113.3 | -124.3 | -30.5 | 0 | 0 | 0 | 113 | |||||
| 1072 | I | 25.8 | Very low | 27.7 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | -113.1 | 155.6 | -153.3 | -64.6 | 165.4 | 0 | 0 | 0 | 114.8 | ||||
| 1073 | S | 25.1 | Very low | 27.7 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | 97.2 | 155.5 | 159.4 | 78.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1074 | P | 42.8 | Very low | 27.7 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -123.1 | 164 | -163.2 | 42.5 | -29.6 | 0 | 0 | 0 | 116.6 | ||||
| 1075 | P | 31.5 | Very low | 27.7 | Very low | 131 Ų | 131 | 139.1 Ų | 139.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | trans | -119.1 | 169.1 | 147.9 | 36.2 | -24.5 | 0 | 0 | 0 | 111.4 | ||||
| 1076 | G | 24.3 | Very low | 27.6 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | cis | 128 | 112.3 | 5 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1077 | R | 32.2 | Very low | 27.6 | Very low | 238 Ų | 238 | 141 Ų | 141 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -61.9 | 130.1 | -178.5 | -70.8 | 175.8 | 171.1 | 172.2 | -5.2 | 112.3 | ||||
| 1078 | F | 25.2 | Very low | 27.6 | Very low | 203 Ų | 203 | 142.3 Ų | 142.3 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -150.9 | 172.7 | 150.5 | -91.5 | -70 | 0 | 0 | 0 | 110.8 | ||||
| 1079 | F | 26.6 | Very low | 26.9 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -107.5 | 148.1 | -150.2 | -70.9 | -104.3 | 0 | 0 | 0 | 117.3 | ||||
| 1080 | S | 23.7 | Very low | 26.9 | Very low | 118 Ų | 118 | 140.9 Ų | 140.9 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 65.3 | 160.9 | 144.4 | 74.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1081 | S | 24.8 | Very low | 27 | Very low | 90 Ų | 90 | 142.6 Ų | 142.6 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | cis | -167.8 | 174.9 | 36 | 70.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1082 | Q | 25.1 | Very low | 27.1 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 79.6 | 143.4 | 156.5 | -69.1 | 179.8 | 24.6 | 0 | 0 | 120.6 | ||||
| 1083 | I | 27 | Very low | 27.5 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 80% | 0.795 | 80% | 0.795 | S | S | * | * | trans | -112 | 141 | -173.9 | -62.9 | 159.8 | 0 | 0 | 0 | 108.8 | ||||
| 1084 | P | 25.3 | Very low | 28.2 | Very low | 128 Ų | 128 | 141 Ų | 141 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -114.7 | 139.6 | 140.8 | 34.5 | -27.7 | 0 | 0 | 0 | 110.5 | ||||
| 1085 | S | 24 | Very low | 28.4 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -102.8 | 163.4 | -168.1 | 52.3 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1086 | S | 24.6 | Very low | 29.1 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 73% | 0.728 | S | S | * | * | trans | 67.2 | 103.3 | 161.1 | 64.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1087 | V | 26.5 | Very low | 30.2 | Very low | 140 Ų | 140 | 134 Ų | 134 | 85% | 0.848 | 71% | 0.707 | S | S | * | * | -137.4 | 126 | 129.3 | -179.3 | 0 | 0 | 0 | 0 | 107.3 | K1089 | V1087-K1089 PolarHBondContact O-N 2.84Š| |||
| 1088 | N | 27.3 | Very low | 30.7 | Very low | 163 Ų | 163 | 123.1 Ų | 123.1 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | trans | -73.7 | 125.1 | 176.5 | -72.6 | -9.9 | 0 | 0 | 0 | 110.5 | ||||
| 1089 | K | 28.4 | Very low | 31.8 | Very low | 151 Ų | 151 | 113.6 Ų | 113.6 | 66% | 0.657 | 63% | 0.627 | S | S | * | * | trans | -116.9 | 149.7 | 165.8 | -97.4 | -171.8 | 168.6 | -176.2 | 0 | 109.8 | E72 V1087 | E72-K1089 IonicContact OE1-NZ 2.77Å; E72-K1089 PolarHBondContact OE1-NZ 3.12Å; V1087-K1089 PolarHBondContact O-N 2.84Å | ||
| 1090 | S | 24.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 78% | 0.783 | 60% | 0.601 | S | S | * | * | trans | -61.1 | 146.4 | -174.9 | -169.7 | 0 | 0 | 0 | 0 | 113.2 | N1092 | S1090-N1092 PolarHBondContact O-N 3.31Š| ||
| 1091 | M | 27.3 | Very low | 34.2 | Very low | 184 Ų | 184 | 107 Ų | 107 | 91% | 0.906 | 58% | 0.578 | S | S | * | * | trans | -75.2 | 104.6 | 174.7 | -64 | -165.6 | 80.6 | 0 | 0 | 111.3 | ||||
| 1092 | N | 26.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 103.5 Ų | 103.5 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | trans | -120.8 | 144.4 | 156 | -88.2 | -27.9 | 0 | 0 | 0 | 108.4 | S1090 R1094 | S1090-N1092 PolarHBondContact O-N 3.31Å; N1092-R1094 PolarHBondContact O-N 2.37Å | ||
| 1093 | S | 35.2 | Very low | 36.8 | Very low | 105 Ų | 105 | 95.9 Ų | 95.9 | 73% | 0.734 | 52% | 0.519 | S | S | * | . | trans | -58.6 | 126.9 | -174 | 160.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1094 | R | 38.3 | Very low | 38.2 | Very low | 136 Ų | 136 | 90.4 Ų | 90.4 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | trans | -86.9 | 169.7 | 168.2 | -63.9 | -178.9 | 176.8 | -165.7 | -6.4 | 109.2 | N1092 | N1092-R1094 PolarHBondContact O-N 2.37Š| ||
| 1095 | R | 48.6 | Very low | 39.7 | Very low | 99 Ų | 99 | 85.5 Ų | 85.5 | 37% | 0.374 | 46% | 0.458 | S | S | . | . | trans | -149.5 | 160.4 | -171.7 | -56.3 | -178.5 | -175.9 | 155.1 | 4.7 | 111.1 | Y89 S1099 | Y89-R1095 PolarHBondContact OH-N 2.74Å; Y89-R1095 PolarHBondContact OH-O 3.01Å; R1095-S1099 WeakPolarHBondContact CD-OG 3.45Å | ||
| 1096 | S | 46 | Very low | 41.2 | Very low | 15 Ų | 15 | 86.1 Ų | 86.1 | 11% | 0.105 | 45% | 0.45 | C | S | . | . | trans | -75 | 172.3 | -175.1 | 63.7 | 0 | 0 | 0 | 0 | 115.7 | Y89 A1098 S1099 R1100 | Y89-S1096 VanDerWaalsContact CG-CB 3.47Å; S1096-A1098 PolarHBondContact O-N 2.87Å; S1096-S1099 VanDerWaalsContact O-CA 3.31Å; S1096-S1099 WeakPolarHBondContact O-CA 3.46Å; S1096-S1099 WeakPolarHBondContact O-CB 3.25Å; S1096-S1099 PolarHBondContact O-N 3.22Å; S1096-R1100 PolarHBondContact O-N 2.83Å | ||
| 1097 | L | 45.8 | Very low | 42.8 | Very low | 57 Ų | 57 | 81.7 Ų | 81.7 | 30% | 0.298 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -51.7 | -37.7 | 169.8 | -70.3 | -173.7 | 0 | 0 | 0 | 113.4 | D76 F78 S1099 R1100 R1101 | D76-L1097 VanDerWaalsContact OD2-CD2 3.23Å; D76-L1097 WeakPolarHBondContact OD2-CD2 3.19Å; F78-L1097 HydrophobicContact CE2-CD1 3.49Å; F78-L1097 VanDerWaalsContact CE2-CD1 3.49Å; F78-L1097 HydrophobicContact CE2-CG 3.66Å; F78-L1097 HydrophobicContact CZ-CB 4.09Å; F78-L1097 HydrophobicContact CZ-CD1 3.53Å; F78-L1097 HydrophobicContact CZ-CG 3.61Å; L1097-S1099 PolarHBondContact O-N 3.32Å; L1097-R1100 VanDerWaalsContact CD2-CD 3.48Å; L1097-R1100 WeakPolarHBondContact O-CA 3.47Å; L1097-R1100 WeakPolarHBondContact O-CB 3.37Å; L1097-R1100 PolarHBondContact O-N 2.74Å; L1097-R1101 PolarHBondContact O-N 2.88Å |
| 1098 | A | 43.3 | Very low | 44.4 | Very low | 9 Ų | 9 | 75.3 Ų | 75.3 | 7% | 0.074 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -55.1 | -36.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D141 G170 S1096 R1101 S1102 | D141-A1098 WeakPolarHBondContact OD1-CB 3.3Å; D141-A1098 PolarHBondContact OD1-N 3.41Å; D141-A1098 VanDerWaalsContact OD1-N 3.12Å; G170-A1098 CarbonylContact C-O 3.49Å; G170-A1098 WeakPolarHBondContact CA-O 3.36Å; S1096-A1098 PolarHBondContact O-N 2.87Å; A1098-R1101 CarbonylContact O-C 3.42Å; A1098-R1101 WeakPolarHBondContact O-CB 3.46Å; A1098-R1101 PolarHBondContact O-N 3.35Å; A1098-S1102 PolarHBondContact O-N 2.69Å |
| 1099 | S | 47.6 | Very low | 46 | Very low | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.028 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -69.6 | -31.4 | 173.4 | -167.2 | 0 | 0 | 0 | 0 | 114.3 | R1095 S1096 L1097 R1101 S1102 L1103 | R1095-S1099 WeakPolarHBondContact CD-OG 3.45Å; S1096-S1099 VanDerWaalsContact O-CA 3.31Å; S1096-S1099 WeakPolarHBondContact O-CA 3.46Å; S1096-S1099 WeakPolarHBondContact O-CB 3.25Å; S1096-S1099 PolarHBondContact O-N 3.22Å; L1097-S1099 PolarHBondContact O-N 3.32Å; S1099-R1101 VanDerWaalsContact C-N 3.29Å; S1099-S1102 WeakPolarHBondContact O-CB 3.45Å; S1099-S1102 PolarHBondContact O-N 3.24Å; S1099-S1102 VanDerWaalsContact O-N 3.09Å; S1099-L1103 PolarHBondContact O-N 2.8Å |
| 1100 | R | 49.8 | Very low | 47.5 | Very low | 69 Ų | 69 | 64 Ų | 64 | 26% | 0.26 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.5 | -41.4 | 171.1 | -58.9 | 173.8 | 85.7 | 165.2 | 7.7 | 109.8 | L70 D76 S1096 L1097 I1104 | L70-R1100 HydrophobicContact CD2-CB 3.82Å; L70-R1100 HydrophobicContact CD2-CG 3.8Å; L70-R1100 VanDerWaalsContact CD2-NE 3.3Å; D76-R1100 IonicContact OD2-CZ 2.85Å; D76-R1100 IonicContact OD2-NH1 2.64Å; D76-R1100 PolarHBondContact OD2-NH1 2.54Å; S1096-R1100 PolarHBondContact O-N 2.83Å; L1097-R1100 VanDerWaalsContact CD2-CD 3.48Å; L1097-R1100 WeakPolarHBondContact O-CA 3.47Å; L1097-R1100 WeakPolarHBondContact O-CB 3.37Å; L1097-R1100 PolarHBondContact O-N 2.74Å; R1100-I1104 PolarHBondContact O-N 2.95Å |
| 1101 | R | 51.7 | Low | 49.2 | Very low | 95 Ų | 95 | 58.8 Ų | 58.8 | 36% | 0.358 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.6 | -32.9 | 169 | -71.1 | 176.4 | 170.8 | 175.6 | -3.8 | 113 | F140 S143 L1097 A1098 S1099 N1105 | F140-R1101 PolarHBondContact O-NH1 2.69Å; S143-R1101 PolarHBondContact OG-NH2 3.47Å; L1097-R1101 PolarHBondContact O-N 2.88Å; A1098-R1101 CarbonylContact O-C 3.42Å; A1098-R1101 WeakPolarHBondContact O-CB 3.46Å; A1098-R1101 PolarHBondContact O-N 3.35Å; S1099-R1101 VanDerWaalsContact C-N 3.29Å; R1101-N1105 WeakPolarHBondContact O-CB 3.25Å; R1101-N1105 PolarHBondContact O-N 3.3Å; R1101-N1105 PolarHBondContact O-ND2 2.78Å |
| 1102 | S | 53.3 | Low | 50.6 | Low | 15 Ų | 15 | 51.1 Ų | 51.1 | 11% | 0.105 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.8 | -39.7 | 175.3 | -175.8 | 0 | 0 | 0 | 0 | 113.2 | P169 G170 A1098 S1099 I1104 N1105 M1106 | P169-S1102 VanDerWaalsContact O-CB 3.23Å; P169-S1102 WeakPolarHBondContact O-CB 3.37Å; P169-S1102 PolarHBondContact O-OG 3.16Å; G170-S1102 WeakPolarHBondContact O-CB 3.19Å; A1098-S1102 PolarHBondContact O-N 2.69Å; S1099-S1102 WeakPolarHBondContact O-CB 3.45Å; S1099-S1102 PolarHBondContact O-N 3.24Å; S1099-S1102 VanDerWaalsContact O-N 3.09Å; S1102-I1104 PolarHBondContact O-N 3.3Å; S1102-N1105 CarbonylContact O-C 3.28Å; S1102-N1105 PolarHBondContact O-N 3.45Å; S1102-M1106 WeakPolarHBondContact O-CA 3.33Å; S1102-M1106 WeakPolarHBondContact O-CB 3.48Å; S1102-M1106 PolarHBondContact O-N 2.68Å |
| 1103 | L | 51.6 | Low | 52 | Low | 26 Ų | 26 | 47.6 Ų | 47.6 | 14% | 0.136 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.2 | -49.3 | 175.1 | -72.7 | 159.5 | 0 | 0 | 0 | 110.8 | A66 E69 S1099 N1105 M1106 V1107 | A66-L1103 HydrophobicContact CB-CB 4.24Å; E69-L1103 HydrophobicContact CB-CD1 4.28Å; E69-L1103 VanDerWaalsContact OE2-CD1 3.23Å; E69-L1103 WeakPolarHBondContact OE2-CD1 3.29Å; E69-L1103 WeakPolarHBondContact OE2-CD2 3.24Å; S1099-L1103 PolarHBondContact O-N 2.8Å; L1103-N1105 PolarHBondContact O-N 3.41Å; L1103-M1106 PolarHBondContact O-N 2.72Å; L1103-V1107 WeakPolarHBondContact O-CB 3.44Å; L1103-V1107 VanDerWaalsContact O-CG2 3.32Å; L1103-V1107 WeakPolarHBondContact O-CG2 3.44Å; L1103-V1107 PolarHBondContact O-N 2.83Å |
| 1104 | I | 55.3 | Low | 52.9 | Low | 40 Ų | 40 | 45.4 Ų | 45.4 | 21% | 0.205 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -47.8 | 173.1 | -63 | 163.7 | 0 | 0 | 0 | 110.7 | L37 R1100 S1102 M1106 L1108 | L37-I1104 HydrophobicContact CD1-CG1 3.79Å; L37-I1104 HydrophobicContact CD2-CG1 4.48Å; L37-I1104 HydrophobicContact CG-CG1 4.14Å; R1100-I1104 PolarHBondContact O-N 2.95Å; S1102-I1104 PolarHBondContact O-N 3.3Å; I1104-M1106 PolarHBondContact O-N 2.69Å; I1104-L1108 HydrophobicContact CG2-CD1 4.1Å; I1104-L1108 WeakPolarHBondContact O-CB 3.4Å; I1104-L1108 WeakPolarHBondContact O-CG 3.18Å; I1104-L1108 PolarHBondContact O-N 2.78Å |
| 1105 | N | 56.6 | Low | 53.6 | Low | 26 Ų | 26 | 41.8 Ų | 41.8 | 14% | 0.139 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.2 | -28.6 | -179.3 | -77 | -39.9 | 0 | 0 | 0 | 114.1 | R172 R1101 S1102 L1103 D1109 | R172-N1105 VanDerWaalsContact NH1-CG 3.25Å; R172-N1105 PolarHBondContact NH1-OD1 3.4Å; R172-N1105 VanDerWaalsContact NH2-CG 3.33Å; R172-N1105 PolarHBondContact NH2-OD1 3.01Å; R1101-N1105 WeakPolarHBondContact O-CB 3.25Å; R1101-N1105 PolarHBondContact O-N 3.3Å; R1101-N1105 PolarHBondContact O-ND2 2.78Å; S1102-N1105 CarbonylContact O-C 3.28Å; S1102-N1105 PolarHBondContact O-N 3.45Å; L1103-N1105 PolarHBondContact O-N 3.41Å; N1105-D1109 WeakPolarHBondContact O-CB 3.34Å; N1105-D1109 PolarHBondContact O-N 3.15Å; N1105-D1109 VanDerWaalsContact O-OD1 3.06Å |
| 1106 | M | 56.9 | Low | 53.5 | Low | 113 Ų | 113 | 39.7 Ų | 39.7 | 56% | 0.557 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -80.5 | -40.4 | 179.3 | -174.3 | -170 | -53.7 | 0 | 0 | 110.6 | S1102 L1103 I1104 L1108 H1110 | S1102-M1106 WeakPolarHBondContact O-CA 3.33Å; S1102-M1106 WeakPolarHBondContact O-CB 3.48Å; S1102-M1106 PolarHBondContact O-N 2.68Å; L1103-M1106 PolarHBondContact O-N 2.72Å; I1104-M1106 PolarHBondContact O-N 2.69Å; M1106-L1108 VanDerWaalsContact C-N 3.28Å; M1106-H1110 WeakPolarHBondContact O-CB 3.08Å; M1106-H1110 PolarHBondContact O-N 3.05Å |
| 1107 | V | 57.7 | Low | 53.4 | Low | 13 Ų | 13 | 48.3 Ų | 48.3 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 166.5 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | T32 K62 I63 L1103 V1111 | T32-V1107 HydrophobicContact CG2-CG1 3.95Å; K62-V1107 HydrophobicContact CB-CG2 4.38Å; I63-V1107 HydrophobicContact CD1-CG1 4.43Å; I63-V1107 HydrophobicContact CG1-CG1 3.86Å; L1103-V1107 WeakPolarHBondContact O-CB 3.44Å; L1103-V1107 VanDerWaalsContact O-CG2 3.32Å; L1103-V1107 WeakPolarHBondContact O-CG2 3.44Å; L1103-V1107 PolarHBondContact O-N 2.83Å; V1107-V1111 HydrophobicContact CG1-CG2 4.43Å; V1107-V1111 WeakPolarHBondContact O-CB 3.46Å; V1107-V1111 WeakPolarHBondContact O-CG2 3.35Å; V1107-V1111 PolarHBondContact O-N 2.97Å |
| 1108 | L | 59.6 | Low | 53.2 | Low | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.3 | -54.4 | 177.2 | -84 | 169.4 | 0 | 0 | 0 | 114.2 | T32 K33 I1104 M1106 H1110 V1111 E1112 | T32-L1108 HydrophobicContact CG2-CD2 3.82Å; T32-L1108 HydrophobicContact CG2-CG 4.13Å; K33-L1108 HydrophobicContact CB-CD2 4.31Å; K33-L1108 HydrophobicContact CG-CD2 3.68Å; I1104-L1108 HydrophobicContact CG2-CD1 4.1Å; I1104-L1108 WeakPolarHBondContact O-CB 3.4Å; I1104-L1108 WeakPolarHBondContact O-CG 3.18Å; I1104-L1108 PolarHBondContact O-N 2.78Å; M1106-L1108 VanDerWaalsContact C-N 3.28Å; L1108-H1110 PolarHBondContact O-N 3.12Å; L1108-V1111 WeakPolarHBondContact O-CB 3.37Å; L1108-V1111 PolarHBondContact O-N 2.98Å; L1108-E1112 WeakPolarHBondContact O-CG 3.06Å; L1108-E1112 PolarHBondContact O-N 3.35Å |
| 1109 | D | 60.5 | Low | 52.8 | Low | 17 Ų | 17 | 54.1 Ų | 54.1 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.1 | -38.6 | 178.6 | -82.9 | 45.2 | 0 | 0 | 0 | 110.2 | R172 K174 N1105 E1112 D1113 | R172-D1109 IonicContact CZ-OD1 3.71Å; R172-D1109 VanDerWaalsContact CZ-OD1 3.31Å; R172-D1109 IonicContact NE-OD1 2.88Å; R172-D1109 PolarHBondContact NE-OD1 3.4Å; R172-D1109 IonicContact NE-OD2 3.34Å; R172-D1109 IonicContact NH2-OD1 2.59Å; R172-D1109 PolarHBondContact NH2-OD1 3.22Å; K174-D1109 WeakPolarHBondContact CE-OD2 3.36Å; K174-D1109 IonicContact NZ-OD2 3.73Å; K174-D1109 PolarHBondContact NZ-OD2 3.41Å; N1105-D1109 WeakPolarHBondContact O-CB 3.34Å; N1105-D1109 PolarHBondContact O-N 3.15Å; N1105-D1109 VanDerWaalsContact O-OD1 3.06Å; D1109-E1112 PolarHBondContact O-N 3.16Å; D1109-D1113 WeakPolarHBondContact O-CB 3.47Å; D1109-D1113 VanDerWaalsContact O-CG 3.26Å; D1109-D1113 PolarHBondContact O-N 3.32Å |
| 1110 | H | 60.8 | Low | 52 | Low | 60 Ų | 60 | 60 Ų | 60 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -73.5 | -26.2 | 174.6 | -172.8 | -79.3 | 0 | 0 | 0 | 114.1 | K62 M1106 L1108 E1112 M1114 | K62-H1110 PolarHBondContact NZ-CD2 2.92Å; K62-H1110 VanDerWaalsContact NZ-CD2 3.28Å; K62-H1110 PolarHBondContact NZ-CE1 3.16Å; K62-H1110 PolarHBondContact NZ-NE2 3.39Å; M1106-H1110 WeakPolarHBondContact O-CB 3.08Å; M1106-H1110 PolarHBondContact O-N 3.05Å; L1108-H1110 PolarHBondContact O-N 3.12Å; H1110-E1112 VanDerWaalsContact C-N 3.33Å; H1110-M1114 WeakPolarHBondContact O-CB 3.38Å; H1110-M1114 VanDerWaalsContact O-CG 3.3Å; H1110-M1114 WeakPolarHBondContact O-CG 3.16Å |
| 1111 | V | 59.8 | Low | 51.1 | Low | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 170.9 | 161.3 | 0 | 0 | 0 | 0 | 110.2 | K29 R59 V1107 L1108 | K29-V1111 HydrophobicContact CG-CG1 4.22Å; R59-V1111 HydrophobicContact CG-CG2 4.37Å; R59-V1111 PolarHBondContact NH2-O 3.36Å; V1107-V1111 HydrophobicContact CG1-CG2 4.43Å; V1107-V1111 WeakPolarHBondContact O-CB 3.46Å; V1107-V1111 WeakPolarHBondContact O-CG2 3.35Å; V1107-V1111 PolarHBondContact O-N 2.97Å; L1108-V1111 WeakPolarHBondContact O-CB 3.37Å; L1108-V1111 PolarHBondContact O-N 2.98Å |
| 1112 | E | 57.8 | Low | 50.2 | Low | 24 Ų | 24 | 60.8 Ų | 60.8 | 11% | 0.112 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -85.4 | -38.6 | -175.8 | -67.6 | 175.4 | 160.8 | 0 | 0 | 113.3 | K33 R194 L1108 D1109 H1110 M1114 E1115 E1116 | K33-E1112 VanDerWaalsContact CE-OE1 3.24Å; K33-E1112 WeakPolarHBondContact CE-OE1 3.44Å; K33-E1112 IonicContact NZ-OE1 2.74Å; K33-E1112 PolarHBondContact NZ-OE1 3.28Å; R194-E1112 IonicContact CZ-OE1 2.76Å; R194-E1112 IonicContact CZ-OE2 2.78Å; R194-E1112 IonicContact NH1-OE1 3.97Å; R194-E1112 IonicContact NH1-OE2 3.89Å; R194-E1112 PolarHBondContact NH1-OE2 3.4Å; R194-E1112 IonicContact NH2-OE1 2.9Å; R194-E1112 PolarHBondContact NH2-OE1 3.43Å; R194-E1112 IonicContact NH2-OE2 2.7Å; R194-E1112 PolarHBondContact NH2-OE2 3Å; L1108-E1112 WeakPolarHBondContact O-CG 3.06Å; L1108-E1112 PolarHBondContact O-N 3.35Å; D1109-E1112 PolarHBondContact O-N 3.16Å; H1110-E1112 VanDerWaalsContact C-N 3.33Å; E1112-M1114 PolarHBondContact O-N 3.1Å; E1112-E1115 WeakPolarHBondContact O-CA 3.2Å; E1112-E1115 VanDerWaalsContact O-CB 3.29Å; E1112-E1115 WeakPolarHBondContact O-CB 3.32Å; E1112-E1115 PolarHBondContact O-N 2.85Å; E1112-E1116 PolarHBondContact O-N 3.07Å; E1112-E1116 VanDerWaalsContact O-N 3.11Å |
| 1113 | D | 56.2 | Low | 49.2 | Very low | 70 Ų | 70 | 69.3 Ų | 69.3 | 37% | 0.374 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -19.4 | 174 | -69.9 | -19.7 | 0 | 0 | 0 | 112.6 | R190 D1109 | R190-D1113 IonicContact CZ-OD1 3.7Å; R190-D1113 IonicContact NH1-OD1 3.45Å; R190-D1113 PolarHBondContact NH1-OD1 3.49Å; R190-D1113 IonicContact NH1-OD2 2.68Å; R190-D1113 IonicContact NH2-OD1 2.72Å; R190-D1113 PolarHBondContact NH2-OD1 2.91Å; D1109-D1113 WeakPolarHBondContact O-CB 3.47Å; D1109-D1113 VanDerWaalsContact O-CG 3.26Å; D1109-D1113 PolarHBondContact O-N 3.32Å |
| 1114 | M | 52.7 | Low | 48.2 | Very low | 59 Ų | 59 | 71.7 Ų | 71.7 | 29% | 0.291 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -90.1 | -1.8 | 170.1 | -71.3 | -74.6 | -110 | 0 | 0 | 113.4 | H1110 E1112 | H1110-M1114 WeakPolarHBondContact O-CB 3.38Å; H1110-M1114 VanDerWaalsContact O-CG 3.3Å; H1110-M1114 WeakPolarHBondContact O-CG 3.16Å; E1112-M1114 PolarHBondContact O-N 3.1Å |
| 1115 | E | 53.6 | Low | 47.1 | Very low | 60 Ų | 60 | 80 Ų | 80 | 28% | 0.28 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -96.8 | -49.2 | 174.7 | -171.3 | 152.4 | -119.3 | 0 | 0 | 110.2 | K29 E1112 R1117 L1118 | K29-E1115 WeakPolarHBondContact CE-OE1 3.4Å; K29-E1115 IonicContact NZ-OE1 2.84Å; K29-E1115 PolarHBondContact NZ-OE1 3.44Å; E1112-E1115 WeakPolarHBondContact O-CA 3.2Å; E1112-E1115 VanDerWaalsContact O-CB 3.29Å; E1112-E1115 WeakPolarHBondContact O-CB 3.32Å; E1112-E1115 PolarHBondContact O-N 2.85Å; E1115-R1117 PolarHBondContact O-N 2.88Å; E1115-R1117 VanDerWaalsContact O-N 3.13Å; E1115-L1118 WeakPolarHBondContact O-CB 3.43Å; E1115-L1118 PolarHBondContact O-N 2.91Å |
| 1116 | E | 47.7 | Very low | 45.6 | Very low | 55 Ų | 55 | 82.7 Ų | 82.7 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57 | -31.4 | 177.6 | -69 | -175.7 | -166.6 | 0 | 0 | 113.3 | R186 R190 E1112 L1118 D1119 D1120 | R186-E1116 WeakPolarHBondContact CD-OE1 3.35Å; R186-E1116 WeakPolarHBondContact CD-OE2 3.39Å; R186-E1116 IonicContact CZ-OE2 3.74Å; R186-E1116 IonicContact NE-OE2 3.27Å; R186-E1116 IonicContact NH1-OE2 3.46Å; R186-E1116 PolarHBondContact NH1-OE2 2.61Å; R190-E1116 IonicContact CZ-OE1 2.61Å; R190-E1116 IonicContact NE-OE1 2.68Å; R190-E1116 VanDerWaalsContact NH2-CD 3.28Å; R190-E1116 IonicContact NH2-OE1 2.62Å; R190-E1116 PolarHBondContact NH2-OE1 2.97Å; R190-E1116 IonicContact NH2-OE2 3Å; E1112-E1116 PolarHBondContact O-N 3.07Å; E1112-E1116 VanDerWaalsContact O-N 3.11Å; E1116-L1118 PolarHBondContact O-N 3.43Å; E1116-D1119 PolarHBondContact O-N 3.45Å; E1116-D1120 PolarHBondContact O-N 2.9Å |
| 1117 | R | 43 | Very low | 44.3 | Very low | 195 Ų | 195 | 82 Ų | 82 | 74% | 0.736 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -64.6 | -5.1 | 175.3 | -77.7 | -177.5 | 171.5 | -171.4 | -1.7 | 115.3 | E1115 | E1115-R1117 PolarHBondContact O-N 2.88Å; E1115-R1117 VanDerWaalsContact O-N 3.13Å |
| 1118 | L | 41.4 | Very low | 43 | Very low | 81 Ų | 81 | 90.6 Ų | 90.6 | 42% | 0.424 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -98.9 | -37.8 | 172.3 | -68.1 | 163.5 | 0 | 0 | 0 | 111.4 | E1115 E1116 S1121 | E1115-L1118 WeakPolarHBondContact O-CB 3.43Å; E1115-L1118 PolarHBondContact O-N 2.91Å; E1116-L1118 PolarHBondContact O-N 3.43Å; L1118-S1121 PolarHBondContact O-N 2.97Å; L1118-S1121 PolarHBondContact O-OG 3.21Å |
| 1119 | D | 35.2 | Very low | 41.5 | Very low | 107 Ų | 107 | 97.8 Ų | 97.8 | 57% | 0.572 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -72.9 | -36.6 | -175.4 | -66.1 | -24.9 | 0 | 0 | 0 | 112.4 | E1116 S1121 S1122 | E1116-D1119 PolarHBondContact O-N 3.45Å; D1119-S1121 PolarHBondContact O-N 3.5Å; D1119-S1122 WeakPolarHBondContact O-CB 3.27Å; D1119-S1122 PolarHBondContact O-N 3.04Å; D1119-S1122 PolarHBondContact O-OG 3.42Å |
| 1120 | D | 31.1 | Very low | 39.9 | Very low | 128 Ų | 128 | 107.6 Ų | 107.6 | 68% | 0.684 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | -10.8 | 172.8 | -83.6 | -17.9 | 0 | 0 | 0 | 113.5 | E1116 | E1116-D1120 PolarHBondContact O-N 2.9Š|
| 1121 | S | 31.2 | Very low | 38.9 | Very low | 92 Ų | 92 | 110.3 Ų | 110.3 | 64% | 0.643 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -3.4 | 175.8 | 76.4 | 0 | 0 | 0 | 0 | 114.8 | L1118 D1119 | L1118-S1121 PolarHBondContact O-N 2.97Å; L1118-S1121 PolarHBondContact O-OG 3.21Å; D1119-S1121 PolarHBondContact O-N 3.5Å |
| 1122 | S | 32.4 | Very low | 37.3 | Very low | 88 Ų | 88 | 119.8 Ų | 119.8 | 62% | 0.615 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -26.9 | -168.6 | 68 | 0 | 0 | 0 | 0 | 115.6 | D1119 A1124 | D1119-S1122 WeakPolarHBondContact O-CB 3.27Å; D1119-S1122 PolarHBondContact O-N 3.04Å; D1119-S1122 PolarHBondContact O-OG 3.42Å; S1122-A1124 VanDerWaalsContact C-N 3.33Å; S1122-A1124 PolarHBondContact O-N 3.4Å |
| 1123 | E | 31.8 | Very low | 35.9 | Very low | 194 Ų | 194 | 128.1 Ų | 128.1 | 91% | 0.907 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -92 | 39.4 | -176.7 | -63 | -158.7 | 140.5 | 0 | 0 | 114.1 | ||
| 1124 | A | 31.9 | Very low | 34.4 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 63% | 0.628 | 70% | 0.699 | S | S | * | * | trans | -143.9 | 67.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | S1122 | S1122-A1124 VanDerWaalsContact C-N 3.33Å; S1122-A1124 PolarHBondContact O-N 3.4Å | ||
| 1125 | K | 31 | Very low | 33.3 | Very low | 214 Ų | 214 | 130.8 Ų | 130.8 | 93% | 0.93 | 73% | 0.727 | S | S | * | * | trans | -179.8 | 124.5 | 135.6 | -102.2 | 164.7 | -175.5 | -170.6 | 0 | 113.6 | ||||
| 1126 | G | 26.2 | Very low | 32 | Very low | 83 Ų | 83 | 136.9 Ų | 136.9 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | trans | -147.7 | 85.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1127 | A | 28.9 | Very low | 31 | Very low | 99 Ų | 99 | 143.3 Ų | 143.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -156.5 | 137.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1128 | E | 30 | Very low | 30.2 | Very low | 194 Ų | 194 | 138.6 Ų | 138.6 | 91% | 0.907 | 78% | 0.783 | S | S | * | * | trans | -94.6 | 148 | -177 | -62.2 | -179.8 | 125.8 | 0 | 0 | 111.3 | ||||
| 1129 | D | 28.2 | Very low | 29.5 | Very low | 156 Ų | 156 | 140.5 Ų | 140.5 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | trans | -79.9 | 136.1 | 168.6 | -79.3 | -51.1 | 0 | 0 | 0 | 110.5 | ||||
| 1130 | Y | 27.5 | Very low | 29 | Very low | 223 Ų | 223 | 138.5 Ų | 138.5 | 88% | 0.875 | 81% | 0.807 | S | S | * | * | trans | -147.5 | 146.1 | 139.2 | -87.8 | -70 | 0 | 0 | 0 | 109.8 | ||||
| 1131 | P | 38.4 | Very low | 28.8 | Very low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 82% | 0.819 | S | S | * | * | trans | -102 | 157.1 | -171.4 | 38.6 | -33.7 | 0 | 0 | 0 | 113.7 | ||||
| 1132 | E | 27.9 | Very low | 28.6 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 94% | 0.939 | 82% | 0.824 | S | S | * | * | trans | -133.2 | 141.6 | 159.7 | -76.5 | -169.1 | 134.5 | 0 | 0 | 111.3 | ||||
| 1133 | E | 28.2 | Very low | 28.3 | Very low | 199 Ų | 199 | 142.6 Ų | 142.6 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | trans | -105.9 | 138.3 | 164 | -71.3 | -171.3 | 131.8 | 0 | 0 | 109.8 | ||||
| 1134 | G | 25.1 | Very low | 28.1 | Very low | 77 Ų | 77 | 141.1 Ų | 141.1 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 99.9 | 165.7 | 139.8 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1135 | A | 28.1 | Very low | 27.7 | Very low | 107 Ų | 107 | 146.5 Ų | 146.5 | 88% | 0.884 | 83% | 0.826 | S | S | * | * | trans | 74.6 | 146.9 | -179 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1136 | E | 27.6 | Very low | 27.4 | Very low | 188 Ų | 188 | 141.3 Ų | 141.3 | 88% | 0.879 | 81% | 0.812 | S | S | * | * | trans | -116 | -165.8 | -175.5 | -58.8 | -179 | 108.9 | 0 | 0 | 110.2 | ||||
| 1137 | E | 26.7 | Very low | 27.5 | Very low | 191 Ų | 191 | 145.6 Ų | 145.6 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | 73.9 | 152.6 | 172 | -59.5 | -166.5 | 170.6 | 0 | 0 | 117.6 | ||||
| 1138 | S | 25.4 | Very low | 27.5 | Very low | 95 Ų | 95 | 149.6 Ų | 149.6 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | cis | -170.3 | 144.7 | -30.7 | -177 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1139 | S | 27 | Very low | 27.7 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | trans | 60.5 | 165.8 | 170.4 | 73.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1140 | G | 24.3 | Very low | 28.6 | Very low | 64 Ų | 64 | 145.1 Ų | 145.1 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | cis | 145.5 | 111.4 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1141 | E | 26.7 | Very low | 28.6 | Very low | 197 Ų | 197 | 139.9 Ų | 139.9 | 92% | 0.921 | 80% | 0.796 | S | S | * | * | trans | 60.2 | 111.9 | 160 | -57.1 | -167.8 | 116.8 | 0 | 0 | 121 | ||||
| 1142 | A | 26.4 | Very low | 28.1 | Very low | 93 Ų | 93 | 137.8 Ų | 137.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 27.7 | 135.2 | 132.3 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1143 | S | 27.8 | Very low | 28.1 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | 169 | 159.5 | 84.7 | 57.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1144 | K | 26.3 | Very low | 28.1 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 71% | 0.709 | 78% | 0.775 | S | S | * | * | trans | 69.9 | 119.6 | 142.5 | -82.7 | 175.9 | 171.8 | -176.2 | 0 | 124.3 | ||||
| 1145 | Y | 25 | Very low | 28.1 | Very low | 189 Ų | 189 | 135.8 Ų | 135.8 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | 90.1 | 137.4 | 127.1 | -74.5 | -46.1 | 0 | 0 | 0 | 124.7 | |||||
| 1146 | T | 24.8 | Very low | 27.9 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | 71.5 | 111.4 | 143.5 | 47.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1147 | E | 27.4 | Very low | 28.1 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 81% | 0.808 | 77% | 0.769 | S | S | * | * | 77.2 | 129.7 | 120.6 | -69.5 | 173.4 | 174.6 | 0 | 0 | 124.1 | |||||
| 1148 | E | 28.7 | Very low | 28.1 | Very low | 182 Ų | 182 | 130 Ų | 130 | 85% | 0.85 | 76% | 0.757 | S | S | * | * | trans | 53.5 | 127.3 | 144.9 | -56.5 | -164 | 155.8 | 0 | 0 | 124.5 | ||||
| 1149 | D | 35.1 | Very low | 28.1 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | 15.7 | 149.6 | 123.8 | -100.6 | 40 | 0 | 0 | 0 | 120.1 | |||||
| 1150 | P | 47.2 | Very low | 28.1 | Very low | 108 Ų | 108 | 132 Ų | 132 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | -158.3 | 176.1 | 58.3 | 42.8 | -22 | 0 | 0 | 0 | 119.8 | |||||
| 1151 | S | 27.5 | Very low | 28.3 | Very low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 74% | 0.741 | S | S | * | * | trans | 68.9 | 154 | 148.9 | 71.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1152 | G | 27.5 | Very low | 28.4 | Very low | 73 Ų | 73 | 127.9 Ų | 127.9 | 75% | 0.753 | 73% | 0.727 | S | S | * | * | cis | 137.7 | 104.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1153 | E | 28.2 | Very low | 28.3 | Very low | 171 Ų | 171 | 133.9 Ų | 133.9 | 80% | 0.799 | 73% | 0.73 | S | S | * | * | trans | -158.1 | -177.1 | 171.3 | -122 | -68 | -111.3 | 0 | 0 | 112.9 | ||||
| 1154 | T | 26.9 | Very low | 28.3 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 63% | 0.626 | 73% | 0.725 | S | S | * | * | trans | -141.8 | 176.6 | -147.4 | -31.5 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1155 | L | 26.1 | Very low | 28.2 | Very low | 162 Ų | 162 | 132.2 Ų | 132.2 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | 78 | 141.9 | 165.8 | -57.5 | 174.3 | 0 | 0 | 0 | 117.2 | ||||
| 1156 | S | 24.1 | Very low | 28.1 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | cis | -144.5 | 175.2 | 2.5 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1157 | S | 30.3 | Very low | 28.1 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -94.5 | 177.3 | -161 | 60 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1158 | E | 28 | Very low | 28 | Very low | 137 Ų | 137 | 129.3 Ų | 129.3 | 64% | 0.64 | 73% | 0.725 | S | S | * | * | cis | -126.3 | -131.3 | 10.7 | -60.6 | -176.5 | 103.7 | 0 | 0 | 111.3 | K1160 | E1158-K1160 IonicContact OE1-NZ 2.78Å; E1158-K1160 PolarHBondContact OE1-NZ 2.93Å; E1158-K1160 IonicContact OE2-NZ 3.21Å; E1158-K1160 PolarHBondContact OE2-NZ 3.45Å | ||
| 1159 | N | 25.9 | Very low | 28.7 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 63% | 0.626 | 72% | 0.72 | S | S | * | * | cis | -165.4 | 148.2 | 2.2 | -117.4 | -34.2 | 0 | 0 | 0 | 108.3 | ||||
| 1160 | K | 26.6 | Very low | 28.1 | Very low | 142 Ų | 142 | 125 Ų | 125 | 62% | 0.617 | 72% | 0.724 | S | S | * | * | cis | -162.1 | 168.9 | -16.5 | -138.6 | -177.2 | -156 | 83.1 | 0 | 111.3 | E1158 | E1158-K1160 IonicContact OE1-NZ 2.78Å; E1158-K1160 PolarHBondContact OE1-NZ 2.93Å; E1158-K1160 IonicContact OE2-NZ 3.21Å; E1158-K1160 PolarHBondContact OE2-NZ 3.45Å | ||
| 1161 | S | 28.5 | Very low | 27.1 | Very low | 85 Ų | 85 | 124 Ų | 124 | 59% | 0.594 | 73% | 0.725 | S | S | * | * | trans | 11.8 | 114.5 | 154.6 | 55.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1162 | S | 28 | Very low | 27 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 63% | 0.629 | 73% | 0.732 | S | S | * | * | 86.5 | 156.5 | 60.5 | 78 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1163 | W | 24.6 | Very low | 27 | Very low | 219 Ų | 219 | 127.9 Ų | 127.9 | 83% | 0.83 | 73% | 0.73 | S | S | * | * | cis | -132.4 | 136.2 | 49.2 | -82.1 | 60.2 | 0 | 0 | 0 | 111.3 | ||||
| 1164 | L | 26.9 | Very low | 27 | Very low | 121 Ų | 121 | 127.6 Ų | 127.6 | 63% | 0.634 | 73% | 0.729 | S | S | * | * | 70.6 | 142.9 | 82 | -63.8 | 163.4 | 0 | 0 | 0 | 112.8 | |||||
| 1165 | T | 24.5 | Very low | 27 | Very low | 111 Ų | 111 | 130.2 Ų | 130.2 | 68% | 0.681 | 73% | 0.734 | S | S | * | * | cis | -169.3 | 153.7 | 20.1 | 5.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 1166 | T | 23 | Very low | 26.9 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | cis | -166.3 | 151.1 | -5.7 | 1.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1167 | S | 25.5 | Very low | 27 | Very low | 91 Ų | 91 | 127.8 Ų | 127.8 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | trans | 16.2 | 125.9 | 138.8 | 63 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1168 | K | 25.4 | Very low | 26.8 | Very low | 202 Ų | 202 | 130.8 Ų | 130.8 | 88% | 0.878 | 73% | 0.731 | S | S | * | * | 73 | 163.4 | 84.9 | -79.9 | -170.5 | 176.1 | -173.4 | 0 | 115.9 | |||||
| 1169 | P | 43.3 | Very low | 26.6 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | -141.3 | -157.3 | -34.4 | 41.1 | -21.9 | 0 | 0 | 0 | 113.1 | ||||
| 1170 | S | 23 | Very low | 26.6 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 88% | 0.881 | 75% | 0.75 | S | S | * | * | trans | 96.5 | 174 | 157.3 | -146 | 0 | 0 | 0 | 0 | 118 | ||||
| 1171 | A | 25.6 | Very low | 27.1 | Very low | 87 Ų | 87 | 126.6 Ų | 126.6 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | trans | -130.9 | -170.5 | -152.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1172 | L | 24.9 | Very low | 27 | Very low | 182 Ų | 182 | 131.1 Ų | 131.1 | 95% | 0.953 | 77% | 0.771 | S | S | * | * | trans | 74 | 167 | 177.6 | -93.2 | 151.7 | 0 | 0 | 0 | 116.4 | ||||
| 1173 | A | 28.1 | Very low | 27.7 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | -134.6 | 176.1 | -158 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1174 | Q | 27.8 | Very low | 27.8 | Very low | 165 Ų | 165 | 129 Ų | 129 | 77% | 0.771 | 77% | 0.774 | S | S | * | * | trans | 80.3 | 110.3 | 173.4 | -56.9 | -167.2 | -82.1 | 0 | 0 | 118.3 | ||||
| 1175 | E | 26.7 | Very low | 27.7 | Very low | 157 Ų | 157 | 128.5 Ų | 128.5 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 47.7 | 129.3 | 125.1 | -57 | 170 | -145.8 | 0 | 0 | 119.3 | |||||
| 1176 | T | 24.9 | Very low | 27.8 | Very low | 128 Ų | 128 | 126.4 Ų | 126.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | -172.5 | 159.9 | 71.1 | 26.6 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1177 | S | 24.6 | Very low | 28 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 74.7 | 110.4 | 140.7 | -175.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1178 | L | 26.7 | Very low | 28 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | trans | 47.5 | 139.3 | 136.4 | -77 | 76.9 | 0 | 0 | 0 | 122.8 | ||||
| 1179 | G | 23.7 | Very low | 28.1 | Very low | 81 Ų | 81 | 128.5 Ų | 128.5 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 152.5 | 100.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1180 | A | 27.1 | Very low | 27.5 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -90.4 | 160.9 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1181 | P | 37 | Very low | 27.5 | Very low | 128 Ų | 128 | 127.6 Ų | 127.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | -147.4 | 176.4 | 90 | 39.8 | -23.3 | 0 | 0 | 0 | 116.6 | |||||
| 1182 | E | 25.4 | Very low | 27.7 | Very low | 180 Ų | 180 | 129 Ų | 129 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | trans | -69.1 | -167.1 | 164.7 | -53.6 | -172.7 | 122.2 | 0 | 0 | 111.4 | ||||
| 1183 | P | 43.5 | Very low | 28.7 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -151.4 | 174.6 | 10.3 | 45.4 | -24.5 | 0 | 0 | 0 | 120.9 | ||||
| 1184 | L | 26 | Very low | 28.6 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 85% | 0.853 | 78% | 0.78 | S | S | * | * | trans | 63.7 | 159.4 | 148.2 | -72 | 160.4 | 0 | 0 | 0 | 118.9 | ||||
| 1185 | S | 25.9 | Very low | 29.2 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | cis | -168.5 | 159.5 | -8.9 | 44.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1186 | G | 25.3 | Very low | 29.4 | Very low | 67 Ų | 67 | 124.2 Ų | 124.2 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | trans | 133.7 | 120 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1187 | E | 27.8 | Very low | 30.5 | Very low | 174 Ų | 174 | 127.6 Ų | 127.6 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 62.3 | 131 | 61.6 | -62.7 | -151.2 | 109.6 | 0 | 0 | 113.6 | |||||
| 1188 | Q | 26.3 | Very low | 31.2 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | cis | -160.3 | 169.6 | 7.2 | -128.6 | -178.2 | 39.3 | 0 | 0 | 112.4 | ||||
| 1189 | L | 27.4 | Very low | 32.2 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 72% | 0.723 | 78% | 0.783 | S | S | * | * | trans | 62.4 | 111.3 | 152.1 | -71.4 | 165.5 | 0 | 0 | 0 | 122.7 | ||||
| 1190 | V | 29 | Very low | 33.9 | Very low | 143 Ų | 143 | 125.4 Ų | 125.4 | 87% | 0.867 | 78% | 0.775 | S | S | * | * | 45.8 | 113.8 | 126.6 | -177.9 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1191 | G | 24.1 | Very low | 36.3 | Very low | 79 Ų | 79 | 124.8 Ų | 124.8 | 81% | 0.814 | 76% | 0.758 | S | S | * | * | trans | 179.3 | 110.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1192 | S | 29.1 | Very low | 38.8 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -98.9 | 170.1 | 168.4 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1193 | P | 45.4 | Very low | 41.6 | Very low | 102 Ų | 102 | 119.6 Ų | 119.6 | 66% | 0.662 | 72% | 0.721 | S | S | * | * | cis | -142.3 | -166.2 | 15.4 | 45.7 | -26.8 | 0 | 0 | 0 | 116.4 | ||||
| 1194 | Q | 27.2 | Very low | 43.6 | Very low | 182 Ų | 182 | 118.4 Ų | 118.4 | 85% | 0.85 | 71% | 0.712 | S | S | * | * | trans | 74.5 | 104.4 | 155.4 | -75.6 | 175.2 | -9.9 | 0 | 0 | 120.6 | ||||
| 1195 | A | 40.6 | Very low | 46.7 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | 49.8 | 95.8 | 127.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 1196 | A | 30.7 | Very low | 49.7 | Very low | 102 Ų | 102 | 107 Ų | 107 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | trans | -121.6 | 153.9 | 151 | 0 | 0 | 0 | 0 | 0 | 109.1 | A1198 | A1196-A1198 PolarHBondContact O-N 2.94Š| ||
| 1197 | E | 47.7 | Very low | 52.8 | Low | 199 Ų | 199 | 110.2 Ų | 110.2 | 93% | 0.93 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 119.8 | -178.9 | -65.3 | 163.6 | 120.5 | 0 | 0 | 110.5 | ||
| 1198 | A | 39.6 | Very low | 55.7 | Low | 92 Ų | 92 | 109.2 Ų | 109.2 | 76% | 0.76 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 127 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | A1196 | A1196-A1198 PolarHBondContact O-N 2.94Š|
| 1199 | T | 47.4 | Very low | 58.7 | Low | 92 Ų | 92 | 102.6 Ų | 102.6 | 56% | 0.564 | 60% | 0.596 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 140.1 | 179.1 | 40.1 | 0 | 0 | 0 | 0 | 111.5 | D1201 | T1199-D1201 WeakPolarHBondContact CB-OD2 3.16Å; T1199-D1201 PolarHBondContact O-N 3.28Å; T1199-D1201 PolarHBondContact OG1-OD2 3.39Å |
| 1200 | N | 59.9 | Low | 61.8 | Low | 124 Ų | 124 | 99.3 Ų | 99.3 | 66% | 0.663 | 58% | 0.576 | S | S | * | * | trans | -77.8 | 54.3 | 174.8 | -72.3 | -47.5 | 0 | 0 | 0 | 111.4 | I1231 | N1200-I1231 WeakPolarHBondContact O-CD1 3.27Š| ||
| 1201 | D | 77.8 | Confident | 64.7 | Low | 84 Ų | 84 | 96.5 Ų | 96.5 | 45% | 0.449 | 55% | 0.553 | S | S | . | * | trans | -79.7 | 130.6 | -179.6 | -66.8 | -44.8 | 0 | 0 | 0 | 110.6 | T1199 E1203 T1204 L1205 | T1199-D1201 WeakPolarHBondContact CB-OD2 3.16Å; T1199-D1201 PolarHBondContact O-N 3.28Å; T1199-D1201 PolarHBondContact OG1-OD2 3.39Å; D1201-E1203 VanDerWaalsContact C-N 3.3Å; D1201-E1203 PolarHBondContact O-N 3.16Å; D1201-T1204 HydrophobicContact CB-CG2 4.15Å; D1201-T1204 PolarHBondContact O-N 2.87Å; D1201-T1204 PolarHBondContact O-OG1 3.16Å; D1201-L1205 PolarHBondContact O-N 3.01Å | ||
| 1202 | Y | 87.8 | Confident | 67.8 | Low | 40 Ų | 40 | 93.8 Ų | 93.8 | 16% | 0.157 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -49.1 | -48.1 | -174.8 | 174.1 | -103 | 0 | 0 | 0 | 113.1 | T1204 L1205 V1206 A1228 I1231 K1232 D1235 V1238 | Y1202-T1204 VanDerWaalsContact C-N 3.33Å; Y1202-T1204 PolarHBondContact O-N 3.47Å; Y1202-L1205 PolarHBondContact O-N 2.91Å; Y1202-V1206 HydrophobicContact CD1-CG2 4.4Å; Y1202-V1206 HydrophobicContact CD2-CG2 4.25Å; Y1202-V1206 HydrophobicContact CE1-CG2 3.98Å; Y1202-V1206 HydrophobicContact CE2-CG2 3.78Å; Y1202-V1206 WeakPolarHBondContact O-CG2 3.39Å; Y1202-V1206 PolarHBondContact O-N 2.89Å; Y1202-A1228 HydrophobicContact CD2-CB 3.86Å; Y1202-A1228 VanDerWaalsContact CD2-O 3.31Å; Y1202-A1228 WeakPolarHBondContact CD2-O 3.2Å; Y1202-A1228 HydrophobicContact CE2-CB 3.74Å; Y1202-A1228 VanDerWaalsContact CE2-O 3.31Å; Y1202-A1228 WeakPolarHBondContact CE2-O 3.49Å; Y1202-I1231 HydrophobicContact CD2-CB 4.48Å; Y1202-K1232 HydrophobicContact CD1-CD 4.21Å; Y1202-K1232 HydrophobicContact CD2-CB 3.76Å; Y1202-K1232 HydrophobicContact CD2-CD 4.45Å; Y1202-K1232 HydrophobicContact CE1-CD 3.71Å; Y1202-K1232 HydrophobicContact CE2-CB 3.6Å; Y1202-K1232 HydrophobicContact CE2-CD 3.99Å; Y1202-K1232 HydrophobicContact CE2-CG 4.41Å; Y1202-K1232 HydrophobicContact CG-CB 4.41Å; Y1202-D1235 WeakPolarHBondContact OH-CB 3.3Å; Y1202-D1235 PolarHBondContact OH-OD2 2.97Å; Y1202-V1238 VanDerWaalsContact OH-CG2 3.24Å; Y1202-V1238 WeakPolarHBondContact OH-CG2 3.39Å |
| 1203 | E | 85 | Confident | 70.5 | Confident | 160 Ų | 160 | 90.9 Ų | 90.9 | 75% | 0.748 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.2 | -33.6 | -177.4 | -61.4 | -174.1 | 168.7 | 0 | 0 | 112.9 | D1201 K1207 | D1201-E1203 VanDerWaalsContact C-N 3.3Å; D1201-E1203 PolarHBondContact O-N 3.16Å; E1203-K1207 VanDerWaalsContact O-CB 3.27Å; E1203-K1207 WeakPolarHBondContact O-CB 3.35Å; E1203-K1207 PolarHBondContact O-N 2.93Å |
| 1204 | T | 86.5 | Confident | 72.6 | Confident | 76 Ų | 76 | 94 Ų | 94 | 47% | 0.466 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71.9 | -36.7 | 177.7 | 71.1 | 0 | 0 | 0 | 0 | 111.4 | D1201 Y1202 R1208 | D1201-T1204 HydrophobicContact CB-CG2 4.15Å; D1201-T1204 PolarHBondContact O-N 2.87Å; D1201-T1204 PolarHBondContact O-OG1 3.16Å; Y1202-T1204 VanDerWaalsContact C-N 3.33Å; Y1202-T1204 PolarHBondContact O-N 3.47Å; T1204-R1208 WeakPolarHBondContact O-CB 3.36Å; T1204-R1208 PolarHBondContact O-N 3.44Å |
| 1205 | L | 89.3 | Confident | 75.2 | Confident | 19 Ų | 19 | 89.8 Ų | 89.8 | 10% | 0.099 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 174.2 | -72.2 | 166.7 | 0 | 0 | 0 | 111.8 | D1201 Y1202 G1209 K1227 A1228 I1231 | D1201-L1205 PolarHBondContact O-N 3.01Å; Y1202-L1205 PolarHBondContact O-N 2.91Å; L1205-G1209 PolarHBondContact O-N 2.95Å; L1205-K1227 HydrophobicContact CD1-CB 4.33Å; L1205-A1228 HydrophobicContact CB-CB 4.09Å; L1205-I1231 HydrophobicContact CD1-CD1 3.57Å |
| 1206 | V | 89.8 | Confident | 77.1 | Confident | 16 Ų | 16 | 87.4 Ų | 87.4 | 10% | 0.097 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.2 | -47.1 | 175.9 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | Y1202 G1209 K1210 L1225 A1228 V1238 | Y1202-V1206 HydrophobicContact CD1-CG2 4.4Å; Y1202-V1206 HydrophobicContact CD2-CG2 4.25Å; Y1202-V1206 HydrophobicContact CE1-CG2 3.98Å; Y1202-V1206 HydrophobicContact CE2-CG2 3.78Å; Y1202-V1206 WeakPolarHBondContact O-CG2 3.39Å; Y1202-V1206 PolarHBondContact O-N 2.89Å; V1206-G1209 PolarHBondContact O-N 3.03Å; V1206-K1210 PolarHBondContact O-N 3.09Å; V1206-L1225 HydrophobicContact CG1-CD2 4.42Å; V1206-A1228 HydrophobicContact CG2-CB 3.61Å; V1206-V1238 HydrophobicContact CG1-CG2 4.01Å; V1206-V1238 HydrophobicContact CG2-CG2 3.68Å |
| 1207 | K | 89.7 | Confident | 79.8 | Confident | 134 Ų | 134 | 87 Ų | 87 | 58% | 0.583 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -61.6 | -48.7 | 179.6 | -172.3 | 173 | -172.7 | -85.5 | 0 | 111.4 | E1203 G1209 K1210 E1211 | E1203-K1207 VanDerWaalsContact O-CB 3.27Å; E1203-K1207 WeakPolarHBondContact O-CB 3.35Å; E1203-K1207 PolarHBondContact O-N 2.93Å; K1207-G1209 VanDerWaalsContact C-N 3.27Å; K1207-G1209 PolarHBondContact O-N 3.39Å; K1207-K1210 PolarHBondContact O-N 3.17Å; K1207-K1210 VanDerWaalsContact O-N 3.14Å; K1207-E1211 WeakPolarHBondContact CE-OE1 3.47Å; K1207-E1211 WeakPolarHBondContact CG-OE1 3.48Å; K1207-E1211 IonicContact NZ-OE1 2.59Å; K1207-E1211 PolarHBondContact NZ-OE1 3.41Å; K1207-E1211 WeakPolarHBondContact O-CG 3.38Å; K1207-E1211 PolarHBondContact O-N 2.79Å |
| 1208 | R | 88.8 | Confident | 81.7 | Confident | 153 Ų | 153 | 79.1 Ų | 79.1 | 58% | 0.577 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.9 | -35.8 | 175.2 | -173.7 | 174.4 | -179.1 | 164 | 1.8 | 112.2 | T1204 L1212 | T1204-R1208 WeakPolarHBondContact O-CB 3.36Å; T1204-R1208 PolarHBondContact O-N 3.44Å; R1208-L1212 HydrophobicContact CG-CD1 3.85Å; R1208-L1212 HydrophobicContact CG-CG 4.36Å; R1208-L1212 VanDerWaalsContact O-CB 3.3Å; R1208-L1212 WeakPolarHBondContact O-CB 3.5Å; R1208-L1212 WeakPolarHBondContact O-CD1 3.14Å; R1208-L1212 WeakPolarHBondContact O-CG 3.29Å; R1208-L1212 PolarHBondContact O-N 3.07Å |
| 1209 | G | 90.8 | Very high | 83.9 | Confident | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1205 V1206 K1207 K1213 A1221 | L1205-G1209 PolarHBondContact O-N 2.95Å; V1206-G1209 PolarHBondContact O-N 3.03Å; K1207-G1209 VanDerWaalsContact C-N 3.27Å; K1207-G1209 PolarHBondContact O-N 3.39Å; G1209-K1213 PolarHBondContact O-N 3.35Å; G1209-K1213 VanDerWaalsContact O-N 3.14Å; G1209-A1221 WeakPolarHBondContact O-CB 3.36Å |
| 1210 | K | 90.9 | Very high | 85.8 | Confident | 68 Ų | 68 | 79.5 Ų | 79.5 | 30% | 0.296 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.9 | -47.7 | 173.7 | -65.6 | -174.6 | -171.4 | -170.6 | 0 | 111.2 | V1206 K1207 L1212 K1213 E1214 E1237 L1241 | V1206-K1210 PolarHBondContact O-N 3.09Å; K1207-K1210 PolarHBondContact O-N 3.17Å; K1207-K1210 VanDerWaalsContact O-N 3.14Å; K1210-L1212 VanDerWaalsContact C-N 3.34Å; K1210-L1212 PolarHBondContact O-N 3.02Å; K1210-K1213 WeakPolarHBondContact O-CB 3.29Å; K1210-K1213 PolarHBondContact O-N 3.44Å; K1210-K1213 VanDerWaalsContact O-N 3.09Å; K1210-E1214 PolarHBondContact O-N 3.36Å; K1210-E1237 WeakPolarHBondContact CE-OE1 3.32Å; K1210-E1237 IonicContact NZ-OE1 3.5Å; K1210-E1237 PolarHBondContact NZ-OE1 3.4Å; K1210-E1237 IonicContact NZ-OE2 2.75Å; K1210-E1237 PolarHBondContact NZ-OE2 3.48Å; K1210-E1237 VanDerWaalsContact NZ-OE2 3.12Å; K1210-L1241 HydrophobicContact CD-CD1 4.32Å; K1210-L1241 HydrophobicContact CG-CD1 4.18Å |
| 1211 | E | 89.7 | Confident | 87.3 | Confident | 84 Ų | 84 | 73.6 Ų | 73.6 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.7 | -40.7 | 177.4 | -70.4 | 167.5 | 174.9 | 0 | 0 | 112.7 | K1207 E1214 C1215 | K1207-E1211 WeakPolarHBondContact CE-OE1 3.47Å; K1207-E1211 WeakPolarHBondContact CG-OE1 3.48Å; K1207-E1211 IonicContact NZ-OE1 2.59Å; K1207-E1211 PolarHBondContact NZ-OE1 3.41Å; K1207-E1211 WeakPolarHBondContact O-CG 3.38Å; K1207-E1211 PolarHBondContact O-N 2.79Å; E1211-E1214 PolarHBondContact O-N 3.06Å; E1211-C1215 PolarHBondContact O-N 2.62Å; E1211-C1215 PolarHBondContact O-SG 3.48Å |
| 1212 | L | 89.7 | Confident | 87.8 | Confident | 22 Ų | 22 | 69.8 Ų | 69.8 | 12% | 0.115 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -70.5 | -31.2 | 176.8 | -73.8 | 166.8 | 0 | 0 | 0 | 112.5 | R1208 K1210 C1215 G1216 K1217 E1220 A1221 | R1208-L1212 HydrophobicContact CG-CD1 3.85Å; R1208-L1212 HydrophobicContact CG-CG 4.36Å; R1208-L1212 VanDerWaalsContact O-CB 3.3Å; R1208-L1212 WeakPolarHBondContact O-CB 3.5Å; R1208-L1212 WeakPolarHBondContact O-CD1 3.14Å; R1208-L1212 WeakPolarHBondContact O-CG 3.29Å; R1208-L1212 PolarHBondContact O-N 3.07Å; K1210-L1212 VanDerWaalsContact C-N 3.34Å; K1210-L1212 PolarHBondContact O-N 3.02Å; L1212-C1215 PolarHBondContact O-N 3.02Å; L1212-G1216 PolarHBondContact O-N 3.01Å; L1212-K1217 HydrophobicContact CB-CB 4.46Å; L1212-K1217 HydrophobicContact CD2-CB 4.13Å; L1212-K1217 HydrophobicContact CD2-CD 3.82Å; L1212-K1217 PolarHBondContact O-N 3.47Å; L1212-E1220 HydrophobicContact CD1-CB 3.92Å; L1212-E1220 HydrophobicContact CD2-CB 4.2Å; L1212-A1221 HydrophobicContact CB-CB 3.73Å |
| 1213 | K | 87.1 | Confident | 87.9 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.9 | -43.8 | 172.2 | 179.4 | 171.1 | -167.1 | 168.8 | 0 | 110.9 | G1209 K1210 C1215 G1216 A1221 L1241 S1244 L1245 | G1209-K1213 PolarHBondContact O-N 3.35Å; G1209-K1213 VanDerWaalsContact O-N 3.14Å; K1210-K1213 WeakPolarHBondContact O-CB 3.29Å; K1210-K1213 PolarHBondContact O-N 3.44Å; K1210-K1213 VanDerWaalsContact O-N 3.09Å; K1213-C1215 VanDerWaalsContact C-N 3.31Å; K1213-C1215 PolarHBondContact O-N 2.84Å; K1213-G1216 PolarHBondContact O-N 3.24Å; K1213-G1216 VanDerWaalsContact O-N 3.1Å; K1213-A1221 HydrophobicContact CB-CB 4.17Å; K1213-L1241 HydrophobicContact CD-CD2 4.05Å; K1213-S1244 PolarHBondContact NZ-OG 3.24Å; K1213-L1245 HydrophobicContact CB-CD2 4.21Å; K1213-L1245 HydrophobicContact CD-CD1 4.47Å; K1213-L1245 HydrophobicContact CD-CD2 3.7Å; K1213-L1245 HydrophobicContact CD-CG 4.12Å; K1213-L1245 HydrophobicContact CG-CD2 3.79Å |
| 1214 | E | 87.8 | Confident | 88.2 | Confident | 167 Ų | 167 | 65.5 Ų | 65.5 | 78% | 0.78 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -66.8 | -32.9 | 177.4 | -70.4 | 174.3 | -172.7 | 0 | 0 | 112.1 | K1210 E1211 G1216 | K1210-E1214 PolarHBondContact O-N 3.36Å; E1211-E1214 PolarHBondContact O-N 3.06Å; E1214-G1216 PolarHBondContact O-N 2.77Å |
| 1215 | C | 82.4 | Confident | 88.3 | Confident | 94 Ų | 94 | 61.9 Ų | 61.9 | 64% | 0.635 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | 6.5 | 172.3 | -64.9 | 0 | 0 | 0 | 0 | 114.1 | E1211 L1212 K1213 K1217 | E1211-C1215 PolarHBondContact O-N 2.62Å; E1211-C1215 PolarHBondContact O-SG 3.48Å; L1212-C1215 PolarHBondContact O-N 3.02Å; K1213-C1215 VanDerWaalsContact C-N 3.31Å; K1213-C1215 PolarHBondContact O-N 2.84Å; C1215-K1217 HydrophobicContact CB-CD 4.39Å; C1215-K1217 PolarHBondContact O-N 3.13Å |
| 1216 | G | 81.4 | Confident | 88.4 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69 | 7.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L1212 K1213 E1214 I1218 | L1212-G1216 PolarHBondContact O-N 3.01Å; K1213-G1216 PolarHBondContact O-N 3.24Å; K1213-G1216 VanDerWaalsContact O-N 3.1Å; E1214-G1216 PolarHBondContact O-N 2.77Å; G1216-I1218 VanDerWaalsContact C-N 3.25Å; G1216-I1218 WeakPolarHBondContact O-CG1 3.34Å; G1216-I1218 PolarHBondContact O-N 3.16Å |
| 1217 | K | 86.7 | Confident | 88.3 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 40% | 0.404 | 34% | 0.339 | S | S | . | . | trans | -86.3 | 60.8 | -178.7 | -78.5 | 165 | 151.1 | -89.6 | 0 | 111 | L1212 C1215 Q1219 E1220 A1221 | L1212-K1217 HydrophobicContact CB-CB 4.46Å; L1212-K1217 HydrophobicContact CD2-CB 4.13Å; L1212-K1217 HydrophobicContact CD2-CD 3.82Å; L1212-K1217 PolarHBondContact O-N 3.47Å; C1215-K1217 HydrophobicContact CB-CD 4.39Å; C1215-K1217 PolarHBondContact O-N 3.13Å; K1217-Q1219 VanDerWaalsContact C-N 3.3Å; K1217-Q1219 PolarHBondContact O-N 3.4Å; K1217-Q1219 VanDerWaalsContact O-N 3.16Å; K1217-E1220 HydrophobicContact CB-CB 4.24Å; K1217-E1220 IonicContact NZ-OE1 3.34Å; K1217-E1220 PolarHBondContact NZ-OE1 2.97Å; K1217-E1220 IonicContact NZ-OE2 2.7Å; K1217-E1220 PolarHBondContact NZ-OE2 2.8Å; K1217-E1220 PolarHBondContact O-N 2.74Å; K1217-A1221 PolarHBondContact O-N 3Å | ||
| 1218 | I | 87.1 | Confident | 88.3 | Confident | 34 Ų | 34 | 62 Ų | 62 | 17% | 0.174 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -51 | -44.1 | -169 | -44.5 | -172.8 | 0 | 0 | 0 | 112.6 | G1216 L1222 L1245 Q1248 L1249 | G1216-I1218 VanDerWaalsContact C-N 3.25Å; G1216-I1218 WeakPolarHBondContact O-CG1 3.34Å; G1216-I1218 PolarHBondContact O-N 3.16Å; I1218-L1222 WeakPolarHBondContact O-CB 3.45Å; I1218-L1222 PolarHBondContact O-N 2.78Å; I1218-L1245 HydrophobicContact CB-CD2 4.48Å; I1218-L1245 HydrophobicContact CG2-CB 4.3Å; I1218-L1245 HydrophobicContact CG2-CD2 3.53Å; I1218-Q1248 HydrophobicContact CD1-CB 4.39Å; I1218-L1249 HydrophobicContact CB-CD1 4.35Å; I1218-L1249 HydrophobicContact CB-CG 4.32Å; I1218-L1249 HydrophobicContact CG2-CD1 3.66Å; I1218-L1249 HydrophobicContact CG2-CG 3.73Å |
| 1219 | Q | 86.6 | Confident | 88.2 | Confident | 102 Ų | 102 | 56.1 Ų | 56.1 | 48% | 0.477 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -71.2 | -35.3 | -179.5 | -165.1 | 66.6 | 17.9 | 0 | 0 | 113.8 | K1217 N1223 | K1217-Q1219 VanDerWaalsContact C-N 3.3Å; K1217-Q1219 PolarHBondContact O-N 3.4Å; K1217-Q1219 VanDerWaalsContact O-N 3.16Å; Q1219-N1223 PolarHBondContact O-N 3.2Å; Q1219-N1223 VanDerWaalsContact O-N 3.14Å; Q1219-N1223 PolarHBondContact O-ND2 3.47Å |
| 1220 | E | 86.9 | Confident | 88 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -72.5 | -40 | 175.9 | -65.8 | 171.7 | -144.6 | 0 | 0 | 110.5 | L1212 K1217 N1223 C1224 | L1212-E1220 HydrophobicContact CD1-CB 3.92Å; L1212-E1220 HydrophobicContact CD2-CB 4.2Å; K1217-E1220 HydrophobicContact CB-CB 4.24Å; K1217-E1220 IonicContact NZ-OE1 3.34Å; K1217-E1220 PolarHBondContact NZ-OE1 2.97Å; K1217-E1220 IonicContact NZ-OE2 2.7Å; K1217-E1220 PolarHBondContact NZ-OE2 2.8Å; K1217-E1220 PolarHBondContact O-N 2.74Å; E1220-N1223 PolarHBondContact O-N 3.41Å; E1220-C1224 PolarHBondContact O-N 3.07Å; E1220-C1224 VanDerWaalsContact O-N 3.11Å |
| 1221 | A | 90.8 | Very high | 87.8 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -48 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | G1209 L1212 K1213 K1217 N1223 C1224 L1225 L1245 | G1209-A1221 WeakPolarHBondContact O-CB 3.36Å; L1212-A1221 HydrophobicContact CB-CB 3.73Å; K1213-A1221 HydrophobicContact CB-CB 4.17Å; K1217-A1221 PolarHBondContact O-N 3Å; A1221-N1223 PolarHBondContact O-N 2.93Å; A1221-C1224 PolarHBondContact O-N 2.86Å; A1221-L1225 WeakPolarHBondContact O-CG 3.24Å; A1221-L1225 PolarHBondContact O-N 2.99Å; A1221-L1245 HydrophobicContact CB-CD1 4.09Å; A1221-L1245 HydrophobicContact CB-CD2 4.38Å |
| 1222 | L | 90.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 64 Ų | 64 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.9 | -48 | 177.8 | -169.1 | 75.1 | 0 | 0 | 0 | 111.4 | I1218 C1224 L1225 V1226 T1242 L1245 Y1246 L1249 | I1218-L1222 WeakPolarHBondContact O-CB 3.45Å; I1218-L1222 PolarHBondContact O-N 2.78Å; L1222-C1224 VanDerWaalsContact C-N 3.27Å; L1222-C1224 PolarHBondContact O-N 3.03Å; L1222-L1225 PolarHBondContact O-N 3.47Å; L1222-V1226 HydrophobicContact CG-CG2 4.39Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.44Å; L1222-V1226 PolarHBondContact O-N 2.92Å; L1222-T1242 HydrophobicContact CD1-CG2 3.76Å; L1222-L1245 HydrophobicContact CD1-CB 3.77Å; L1222-Y1246 HydrophobicContact CD1-CD2 3.69Å; L1222-Y1246 HydrophobicContact CD1-CE2 3.8Å; L1222-Y1246 HydrophobicContact CD1-CG 4.28Å; L1222-Y1246 HydrophobicContact CD2-CD1 4.37Å; L1222-Y1246 HydrophobicContact CD2-CD2 4.35Å; L1222-Y1246 HydrophobicContact CD2-CE1 4.02Å; L1222-Y1246 HydrophobicContact CD2-CE2 4.01Å; L1222-Y1246 HydrophobicContact CG-CE2 4.28Å; L1222-L1249 HydrophobicContact CD2-CD1 3.88Å |
| 1223 | N | 89.8 | Confident | 87 | Confident | 91 Ų | 91 | 67.3 Ų | 67.3 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.9 | -30.1 | 177.6 | -83.1 | -30.3 | 0 | 0 | 0 | 113.8 | Q1219 E1220 A1221 K1227 | Q1219-N1223 PolarHBondContact O-N 3.2Å; Q1219-N1223 VanDerWaalsContact O-N 3.14Å; Q1219-N1223 PolarHBondContact O-ND2 3.47Å; E1220-N1223 PolarHBondContact O-N 3.41Å; A1221-N1223 PolarHBondContact O-N 2.93Å; N1223-K1227 WeakPolarHBondContact O-CG 3.44Å |
| 1224 | C | 89.9 | Confident | 86.5 | Confident | 19 Ų | 19 | 68.6 Ų | 68.6 | 13% | 0.128 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -74.5 | -41.5 | 173.1 | -73.8 | 0 | 0 | 0 | 0 | 112.3 | E1220 A1221 L1222 K1227 A1228 | E1220-C1224 PolarHBondContact O-N 3.07Å; E1220-C1224 VanDerWaalsContact O-N 3.11Å; A1221-C1224 PolarHBondContact O-N 2.86Å; L1222-C1224 VanDerWaalsContact C-N 3.27Å; L1222-C1224 PolarHBondContact O-N 3.03Å; C1224-K1227 PolarHBondContact O-N 3.42Å; C1224-A1228 PolarHBondContact O-N 2.85Å; C1224-A1228 VanDerWaalsContact O-N 3.09Å |
| 1225 | L | 90.3 | Very high | 86.4 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.8 | -34.3 | -176.9 | -65.8 | 162.6 | 0 | 0 | 0 | 112.7 | V1206 A1221 L1222 A1228 L1229 V1238 L1241 L1245 | V1206-L1225 HydrophobicContact CG1-CD2 4.42Å; A1221-L1225 WeakPolarHBondContact O-CG 3.24Å; A1221-L1225 PolarHBondContact O-N 2.99Å; L1222-L1225 PolarHBondContact O-N 3.47Å; L1225-A1228 WeakPolarHBondContact O-CB 3.39Å; L1225-A1228 PolarHBondContact O-N 3.08Å; L1225-L1229 WeakPolarHBondContact O-CG 3.37Å; L1225-L1229 PolarHBondContact O-N 2.91Å; L1225-V1238 HydrophobicContact CB-CG1 4.17Å; L1225-V1238 HydrophobicContact CD2-CG1 3.95Å; L1225-L1241 HydrophobicContact CD1-CB 4.39Å; L1225-L1245 HydrophobicContact CD1-CD1 3.36Å |
| 1226 | V | 89.4 | Confident | 86.4 | Confident | 49 Ų | 49 | 61.4 Ų | 61.4 | 30% | 0.297 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61 | -45.9 | 170.5 | 171.6 | 0 | 0 | 0 | 0 | 110.6 | L1222 A1228 L1229 D1230 T1242 | L1222-V1226 HydrophobicContact CG-CG2 4.39Å; L1222-V1226 WeakPolarHBondContact O-CG2 3.44Å; L1222-V1226 PolarHBondContact O-N 2.92Å; V1226-A1228 PolarHBondContact O-N 2.7Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 WeakPolarHBondContact O-CA 3.23Å; V1226-L1229 WeakPolarHBondContact O-CB 3.38Å; V1226-L1229 PolarHBondContact O-N 2.81Å; V1226-D1230 PolarHBondContact O-N 3.4Å; V1226-T1242 HydrophobicContact CG2-CG2 3.99Å |
| 1227 | K | 88.9 | Confident | 86.6 | Confident | 122 Ų | 122 | 63.8 Ų | 63.8 | 53% | 0.53 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -63.6 | -27.9 | 174.8 | -72.9 | 179.4 | 178.7 | -174.9 | 0 | 113.7 | L1205 N1223 C1224 I1231 | L1205-K1227 HydrophobicContact CD1-CB 4.33Å; N1223-K1227 WeakPolarHBondContact O-CG 3.44Å; C1224-K1227 PolarHBondContact O-N 3.42Å; K1227-I1231 WeakPolarHBondContact O-CD1 3.41Å; K1227-I1231 WeakPolarHBondContact O-CG1 3.17Å |
| 1228 | A | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.4 | -39.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y1202 L1205 V1206 C1224 L1225 V1226 I1231 K1232 V1238 | Y1202-A1228 HydrophobicContact CD2-CB 3.86Å; Y1202-A1228 VanDerWaalsContact CD2-O 3.31Å; Y1202-A1228 WeakPolarHBondContact CD2-O 3.2Å; Y1202-A1228 HydrophobicContact CE2-CB 3.74Å; Y1202-A1228 VanDerWaalsContact CE2-O 3.31Å; Y1202-A1228 WeakPolarHBondContact CE2-O 3.49Å; L1205-A1228 HydrophobicContact CB-CB 4.09Å; V1206-A1228 HydrophobicContact CG2-CB 3.61Å; C1224-A1228 PolarHBondContact O-N 2.85Å; C1224-A1228 VanDerWaalsContact O-N 3.09Å; L1225-A1228 WeakPolarHBondContact O-CB 3.39Å; L1225-A1228 PolarHBondContact O-N 3.08Å; V1226-A1228 PolarHBondContact O-N 2.7Å; A1228-I1231 PolarHBondContact O-N 2.91Å; A1228-I1231 VanDerWaalsContact O-N 3.17Å; A1228-K1232 PolarHBondContact O-N 3.3Å; A1228-V1238 HydrophobicContact CB-CG1 4.4Å |
| 1229 | L | 86.9 | Confident | 86.7 | Confident | 29 Ų | 29 | 61.3 Ų | 61.3 | 15% | 0.152 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -67.4 | -32.7 | 174.3 | -67.8 | 171.1 | 0 | 0 | 0 | 112.8 | L1225 V1226 I1231 K1232 S1233 V1238 M1239 T1242 | L1225-L1229 WeakPolarHBondContact O-CG 3.37Å; L1225-L1229 PolarHBondContact O-N 2.91Å; V1226-L1229 CarbonylContact O-C 3.57Å; V1226-L1229 WeakPolarHBondContact O-CA 3.23Å; V1226-L1229 WeakPolarHBondContact O-CB 3.38Å; V1226-L1229 PolarHBondContact O-N 2.81Å; L1229-I1231 PolarHBondContact O-N 3.1Å; L1229-K1232 CarbonylContact O-C 3.59Å; L1229-K1232 PolarHBondContact O-N 2.77Å; L1229-S1233 WeakPolarHBondContact O-CA 3.38Å; L1229-S1233 WeakPolarHBondContact O-CB 3.21Å; L1229-S1233 PolarHBondContact O-N 2.95Å; L1229-V1238 HydrophobicContact CD1-CG1 4.27Å; L1229-V1238 HydrophobicContact CD2-CB 3.99Å; L1229-V1238 HydrophobicContact CD2-CG1 3.78Å; L1229-V1238 HydrophobicContact CG-CB 4.47Å; L1229-V1238 HydrophobicContact CG-CG1 3.72Å; L1229-M1239 HydrophobicContact CD1-CG 4.16Å; L1229-M1239 HydrophobicContact CD2-CG 3.63Å; L1229-T1242 HydrophobicContact CD1-CG2 4.24Å |
| 1230 | D | 86.8 | Confident | 86.7 | Confident | 129 Ų | 129 | 62.1 Ų | 62.1 | 69% | 0.69 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.2 | -29.4 | 171.5 | -68 | -35.8 | 0 | 0 | 0 | 112.3 | V1226 | V1226-D1230 PolarHBondContact O-N 3.4Å |
| 1231 | I | 86.1 | Confident | 86.7 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 47% | 0.467 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.6 | -38 | 177.5 | -62.8 | 163.1 | 0 | 0 | 0 | 111.6 | N1200 Y1202 L1205 K1227 A1228 L1229 | N1200-I1231 WeakPolarHBondContact O-CD1 3.27Å; Y1202-I1231 HydrophobicContact CD2-CB 4.48Å; L1205-I1231 HydrophobicContact CD1-CD1 3.57Å; K1227-I1231 WeakPolarHBondContact O-CD1 3.41Å; K1227-I1231 WeakPolarHBondContact O-CG1 3.17Å; A1228-I1231 PolarHBondContact O-N 2.91Å; A1228-I1231 VanDerWaalsContact O-N 3.17Å; L1229-I1231 PolarHBondContact O-N 3.1Å |
| 1232 | K | 84.5 | Confident | 86.6 | Confident | 97 Ų | 97 | 59.9 Ų | 59.9 | 42% | 0.422 | 33% | 0.329 | S | S | . | . | trans | -143.6 | 78.3 | -177.1 | -169.7 | -163.2 | 176.5 | -166.2 | 0 | 111 | Y1202 A1228 L1229 A1234 D1235 | Y1202-K1232 HydrophobicContact CD1-CD 4.21Å; Y1202-K1232 HydrophobicContact CD2-CB 3.76Å; Y1202-K1232 HydrophobicContact CD2-CD 4.45Å; Y1202-K1232 HydrophobicContact CE1-CD 3.71Å; Y1202-K1232 HydrophobicContact CE2-CB 3.6Å; Y1202-K1232 HydrophobicContact CE2-CD 3.99Å; Y1202-K1232 HydrophobicContact CE2-CG 4.41Å; Y1202-K1232 HydrophobicContact CG-CB 4.41Å; A1228-K1232 PolarHBondContact O-N 3.3Å; L1229-K1232 CarbonylContact O-C 3.59Å; L1229-K1232 PolarHBondContact O-N 2.77Å; K1232-A1234 PolarHBondContact O-N 3.44Å; K1232-A1234 VanDerWaalsContact O-N 3.1Å; K1232-D1235 HydrophobicContact CD-CB 4.19Å; K1232-D1235 IonicContact NZ-OD2 2.72Å; K1232-D1235 PolarHBondContact NZ-OD2 3.4Å | ||
| 1233 | S | 78.3 | Confident | 86.4 | Confident | 93 Ų | 93 | 65 Ų | 65 | 65% | 0.65 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -9.5 | -172.1 | 55.8 | 0 | 0 | 0 | 0 | 116 | L1229 | L1229-S1233 WeakPolarHBondContact O-CA 3.38Å; L1229-S1233 WeakPolarHBondContact O-CB 3.21Å; L1229-S1233 PolarHBondContact O-N 2.95Å |
| 1234 | A | 75.8 | Confident | 86.3 | Confident | 81 Ų | 81 | 63 Ų | 63 | 67% | 0.669 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 9.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K1232 P1236 | K1232-A1234 PolarHBondContact O-N 3.44Å; K1232-A1234 VanDerWaalsContact O-N 3.1Å; A1234-P1236 WeakPolarHBondContact O-CD 3.14Å |
| 1235 | D | 87 | Confident | 86.2 | Confident | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.134 | 34% | 0.343 | C | S | . | . | trans | -87.9 | 112.3 | -176.5 | -159 | -54.3 | 0 | 0 | 0 | 112.6 | Y1202 K1232 E1237 V1238 M1239 | Y1202-D1235 WeakPolarHBondContact OH-CB 3.3Å; Y1202-D1235 PolarHBondContact OH-OD2 2.97Å; K1232-D1235 HydrophobicContact CD-CB 4.19Å; K1232-D1235 IonicContact NZ-OD2 2.72Å; K1232-D1235 PolarHBondContact NZ-OD2 3.4Å; D1235-E1237 PolarHBondContact O-N 3.28Å; D1235-E1237 PolarHBondContact OD1-N 3.03Å; D1235-V1238 HydrophobicContact CB-CB 4.39Å; D1235-V1238 HydrophobicContact CB-CG2 4.39Å; D1235-M1239 WeakPolarHBondContact O-CG 3.4Å; D1235-M1239 PolarHBondContact O-N 3.49Å; D1235-M1239 VanDerWaalsContact O-N 3.09Å | ||
| 1236 | P | 82.2 | Confident | 86 | Confident | 85 Ų | 85 | 68.2 Ų | 68.2 | 55% | 0.552 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -71.2 | -30.4 | -172.3 | 29.5 | -35.3 | 0 | 0 | 0 | 113.1 | A1234 L1240 | A1234-P1236 WeakPolarHBondContact O-CD 3.14Å; P1236-L1240 WeakPolarHBondContact O-CB 3.45Å; P1236-L1240 VanDerWaalsContact O-CG 3.27Å; P1236-L1240 WeakPolarHBondContact O-CG 3.43Å; P1236-L1240 PolarHBondContact O-N 3.49Å |
| 1237 | E | 84.4 | Confident | 85.7 | Confident | 106 Ų | 106 | 73 Ų | 73 | 50% | 0.495 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -69 | -42.8 | -179.1 | -155.8 | -153.3 | 151.5 | 0 | 0 | 110.2 | K1210 D1235 L1240 L1241 | K1210-E1237 WeakPolarHBondContact CE-OE1 3.32Å; K1210-E1237 IonicContact NZ-OE1 3.5Å; K1210-E1237 PolarHBondContact NZ-OE1 3.4Å; K1210-E1237 IonicContact NZ-OE2 2.75Å; K1210-E1237 PolarHBondContact NZ-OE2 3.48Å; K1210-E1237 VanDerWaalsContact NZ-OE2 3.12Å; D1235-E1237 PolarHBondContact O-N 3.28Å; D1235-E1237 PolarHBondContact OD1-N 3.03Å; E1237-L1240 PolarHBondContact O-N 3.1Å; E1237-L1241 HydrophobicContact CG-CD1 4.48Å; E1237-L1241 WeakPolarHBondContact O-CB 3.31Å; E1237-L1241 PolarHBondContact O-N 3.19Å |
| 1238 | V | 88.3 | Confident | 85.2 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.012 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -70.2 | -38.4 | 178.1 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | Y1202 V1206 L1225 A1228 L1229 D1235 L1241 T1242 | Y1202-V1238 VanDerWaalsContact OH-CG2 3.24Å; Y1202-V1238 WeakPolarHBondContact OH-CG2 3.39Å; V1206-V1238 HydrophobicContact CG1-CG2 4.01Å; V1206-V1238 HydrophobicContact CG2-CG2 3.68Å; L1225-V1238 HydrophobicContact CB-CG1 4.17Å; L1225-V1238 HydrophobicContact CD2-CG1 3.95Å; A1228-V1238 HydrophobicContact CB-CG1 4.4Å; L1229-V1238 HydrophobicContact CD1-CG1 4.27Å; L1229-V1238 HydrophobicContact CD2-CB 3.99Å; L1229-V1238 HydrophobicContact CD2-CG1 3.78Å; L1229-V1238 HydrophobicContact CG-CB 4.47Å; L1229-V1238 HydrophobicContact CG-CG1 3.72Å; D1235-V1238 HydrophobicContact CB-CB 4.39Å; D1235-V1238 HydrophobicContact CB-CG2 4.39Å; V1238-L1241 PolarHBondContact O-N 3.17Å; V1238-T1242 VanDerWaalsContact O-CB 3.29Å; V1238-T1242 WeakPolarHBondContact O-CB 3.4Å; V1238-T1242 PolarHBondContact O-N 3.24Å; V1238-T1242 PolarHBondContact O-OG1 3.44Å |
| 1239 | M | 87.4 | Confident | 84.7 | Confident | 73 Ų | 73 | 73.9 Ų | 73.9 | 36% | 0.36 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.8 | -46.9 | 172.3 | -77.4 | -169.9 | -81.9 | 0 | 0 | 112 | L1229 D1235 T1242 L1243 | L1229-M1239 HydrophobicContact CD1-CG 4.16Å; L1229-M1239 HydrophobicContact CD2-CG 3.63Å; D1235-M1239 WeakPolarHBondContact O-CG 3.4Å; D1235-M1239 PolarHBondContact O-N 3.49Å; D1235-M1239 VanDerWaalsContact O-N 3.09Å; M1239-T1242 PolarHBondContact O-N 3.02Å; M1239-L1243 WeakPolarHBondContact O-CB 3.27Å; M1239-L1243 WeakPolarHBondContact O-CG 3.38Å; M1239-L1243 PolarHBondContact O-N 3.36Å |
| 1240 | L | 87.6 | Confident | 84 | Confident | 119 Ų | 119 | 79.1 Ų | 79.1 | 62% | 0.623 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.9 | -38.5 | 178.4 | -72.1 | 168.7 | 0 | 0 | 0 | 112.4 | P1236 E1237 S1244 | P1236-L1240 WeakPolarHBondContact O-CB 3.45Å; P1236-L1240 VanDerWaalsContact O-CG 3.27Å; P1236-L1240 WeakPolarHBondContact O-CG 3.43Å; P1236-L1240 PolarHBondContact O-N 3.49Å; E1237-L1240 PolarHBondContact O-N 3.1Å; L1240-S1244 VanDerWaalsContact O-CB 3.26Å; L1240-S1244 WeakPolarHBondContact O-CB 3.36Å; L1240-S1244 PolarHBondContact O-N 3.03Å |
| 1241 | L | 86.2 | Confident | 82.7 | Confident | 32 Ų | 32 | 78.8 Ų | 78.8 | 17% | 0.168 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 172.5 | -87.9 | 161.9 | 0 | 0 | 0 | 112.4 | K1210 K1213 L1225 E1237 V1238 S1244 L1245 | K1210-L1241 HydrophobicContact CD-CD1 4.32Å; K1210-L1241 HydrophobicContact CG-CD1 4.18Å; K1213-L1241 HydrophobicContact CD-CD2 4.05Å; L1225-L1241 HydrophobicContact CD1-CB 4.39Å; E1237-L1241 HydrophobicContact CG-CD1 4.48Å; E1237-L1241 WeakPolarHBondContact O-CB 3.31Å; E1237-L1241 PolarHBondContact O-N 3.19Å; V1238-L1241 PolarHBondContact O-N 3.17Å; L1241-S1244 WeakPolarHBondContact O-CB 3.34Å; L1241-S1244 PolarHBondContact O-N 3.2Å; L1241-L1245 VanDerWaalsContact O-CG 3.29Å; L1241-L1245 WeakPolarHBondContact O-CG 3.12Å; L1241-L1245 PolarHBondContact O-N 2.67Å |
| 1242 | T | 88.8 | Confident | 80.9 | Confident | 10 Ų | 10 | 82.9 Ų | 82.9 | 6% | 0.061 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 179 | -56.6 | 0 | 0 | 0 | 0 | 111.1 | L1222 V1226 L1229 V1238 M1239 L1245 Y1246 | L1222-T1242 HydrophobicContact CD1-CG2 3.76Å; V1226-T1242 HydrophobicContact CG2-CG2 3.99Å; L1229-T1242 HydrophobicContact CD1-CG2 4.24Å; V1238-T1242 VanDerWaalsContact O-CB 3.29Å; V1238-T1242 WeakPolarHBondContact O-CB 3.4Å; V1238-T1242 PolarHBondContact O-N 3.24Å; V1238-T1242 PolarHBondContact O-OG1 3.44Å; M1239-T1242 PolarHBondContact O-N 3.02Å; T1242-L1245 PolarHBondContact O-N 3.01Å; T1242-Y1246 HydrophobicContact CG2-CD2 4.1Å; T1242-Y1246 HydrophobicContact CG2-CE2 4.16Å; T1242-Y1246 WeakPolarHBondContact O-CD2 3.35Å; T1242-Y1246 PolarHBondContact O-N 3.18Å |
| 1243 | L | 87.1 | Confident | 80.8 | Confident | 113 Ų | 113 | 82.2 Ų | 82.2 | 59% | 0.592 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.7 | -38.2 | 173.7 | -71.3 | 169.3 | 0 | 0 | 0 | 112.4 | M1239 Y1246 K1247 | M1239-L1243 WeakPolarHBondContact O-CB 3.27Å; M1239-L1243 WeakPolarHBondContact O-CG 3.38Å; M1239-L1243 PolarHBondContact O-N 3.36Å; L1243-Y1246 PolarHBondContact O-N 2.61Å; L1243-K1247 WeakPolarHBondContact O-CB 3.43Å; L1243-K1247 PolarHBondContact O-N 3.23Å |
| 1244 | S | 86.7 | Confident | 80.9 | Confident | 48 Ų | 48 | 81.6 Ų | 81.6 | 34% | 0.336 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 172.6 | 165.9 | 0 | 0 | 0 | 0 | 111.8 | K1213 L1240 L1241 K1247 Q1248 | K1213-S1244 PolarHBondContact NZ-OG 3.24Å; L1240-S1244 VanDerWaalsContact O-CB 3.26Å; L1240-S1244 WeakPolarHBondContact O-CB 3.36Å; L1240-S1244 PolarHBondContact O-N 3.03Å; L1241-S1244 WeakPolarHBondContact O-CB 3.34Å; L1241-S1244 PolarHBondContact O-N 3.2Å; S1244-K1247 PolarHBondContact O-N 3.29Å; S1244-Q1248 WeakPolarHBondContact O-CG 3.45Å; S1244-Q1248 PolarHBondContact O-N 2.91Å |
| 1245 | L | 87.8 | Confident | 81.2 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 177.4 | -73.2 | 165 | 0 | 0 | 0 | 111.9 | K1213 I1218 A1221 L1222 L1225 L1241 T1242 K1247 Q1248 L1249 | K1213-L1245 HydrophobicContact CB-CD2 4.21Å; K1213-L1245 HydrophobicContact CD-CD1 4.47Å; K1213-L1245 HydrophobicContact CD-CD2 3.7Å; K1213-L1245 HydrophobicContact CD-CG 4.12Å; K1213-L1245 HydrophobicContact CG-CD2 3.79Å; I1218-L1245 HydrophobicContact CB-CD2 4.48Å; I1218-L1245 HydrophobicContact CG2-CB 4.3Å; I1218-L1245 HydrophobicContact CG2-CD2 3.53Å; A1221-L1245 HydrophobicContact CB-CD1 4.09Å; A1221-L1245 HydrophobicContact CB-CD2 4.38Å; L1222-L1245 HydrophobicContact CD1-CB 3.77Å; L1225-L1245 HydrophobicContact CD1-CD1 3.36Å; L1241-L1245 VanDerWaalsContact O-CG 3.29Å; L1241-L1245 WeakPolarHBondContact O-CG 3.12Å; L1241-L1245 PolarHBondContact O-N 2.67Å; T1242-L1245 PolarHBondContact O-N 3.01Å; L1245-K1247 VanDerWaalsContact C-N 3.33Å; L1245-K1247 PolarHBondContact O-N 3.48Å; L1245-Q1248 PolarHBondContact O-N 3.47Å; L1245-Q1248 VanDerWaalsContact O-N 3.16Å; L1245-L1249 WeakPolarHBondContact O-CB 3.48Å; L1245-L1249 PolarHBondContact O-N 3.42Å |
| 1246 | Y | 86.5 | Confident | 80.8 | Confident | 128 Ų | 128 | 85 Ų | 85 | 50% | 0.502 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | 171.8 | -95.4 | -68.5 | 0 | 0 | 0 | 111.7 | L1222 T1242 L1243 Q1248 L1249 N1250 | L1222-Y1246 HydrophobicContact CD1-CD2 3.69Å; L1222-Y1246 HydrophobicContact CD1-CE2 3.8Å; L1222-Y1246 HydrophobicContact CD1-CG 4.28Å; L1222-Y1246 HydrophobicContact CD2-CD1 4.37Å; L1222-Y1246 HydrophobicContact CD2-CD2 4.35Å; L1222-Y1246 HydrophobicContact CD2-CE1 4.02Å; L1222-Y1246 HydrophobicContact CD2-CE2 4.01Å; L1222-Y1246 HydrophobicContact CG-CE2 4.28Å; T1242-Y1246 HydrophobicContact CG2-CD2 4.1Å; T1242-Y1246 HydrophobicContact CG2-CE2 4.16Å; T1242-Y1246 WeakPolarHBondContact O-CD2 3.35Å; T1242-Y1246 PolarHBondContact O-N 3.18Å; L1243-Y1246 PolarHBondContact O-N 2.61Å; Y1246-Q1248 VanDerWaalsContact C-N 3.29Å; Y1246-Q1248 PolarHBondContact O-N 3.24Å; Y1246-L1249 CarbonylContact O-C 3.6Å; Y1246-L1249 PolarHBondContact O-N 3.49Å; Y1246-N1250 WeakPolarHBondContact O-CB 3.31Å; Y1246-N1250 PolarHBondContact O-N 3.24Å |
| 1247 | K | 82.5 | Confident | 80.7 | Confident | 149 Ų | 149 | 85 Ų | 85 | 65% | 0.648 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.4 | -31.4 | 176.9 | -169.5 | 173.7 | -179.4 | -179.8 | 0 | 112.6 | L1243 S1244 L1245 N1251 | L1243-K1247 WeakPolarHBondContact O-CB 3.43Å; L1243-K1247 PolarHBondContact O-N 3.23Å; S1244-K1247 PolarHBondContact O-N 3.29Å; L1245-K1247 VanDerWaalsContact C-N 3.33Å; L1245-K1247 PolarHBondContact O-N 3.48Å; K1247-N1251 WeakPolarHBondContact O-CB 2.99Å; K1247-N1251 PolarHBondContact O-N 3.09Å; K1247-N1251 PolarHBondContact O-OD1 2.58Å |
| 1248 | Q | 78.1 | Confident | 80.5 | Confident | 82 Ų | 82 | 83.6 Ų | 83.6 | 38% | 0.383 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -74 | -32.4 | 173.1 | -70.8 | 179.2 | -71 | 0 | 0 | 112.7 | I1218 S1244 L1245 Y1246 N1250 N1252 | I1218-Q1248 HydrophobicContact CD1-CB 4.39Å; S1244-Q1248 WeakPolarHBondContact O-CG 3.45Å; S1244-Q1248 PolarHBondContact O-N 2.91Å; L1245-Q1248 PolarHBondContact O-N 3.47Å; L1245-Q1248 VanDerWaalsContact O-N 3.16Å; Y1246-Q1248 VanDerWaalsContact C-N 3.29Å; Y1246-Q1248 PolarHBondContact O-N 3.24Å; Q1248-N1250 VanDerWaalsContact C-N 3.31Å; Q1248-N1252 WeakPolarHBondContact O-CB 3.36Å; Q1248-N1252 PolarHBondContact O-N 3.18Å |
| 1249 | L | 79.4 | Confident | 79.9 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 31% | 0.314 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -77.5 | -10.5 | 173.8 | -93.8 | 155.5 | 0 | 0 | 0 | 114.7 | I1218 L1222 L1245 Y1246 | I1218-L1249 HydrophobicContact CB-CD1 4.35Å; I1218-L1249 HydrophobicContact CB-CG 4.32Å; I1218-L1249 HydrophobicContact CG2-CD1 3.66Å; I1218-L1249 HydrophobicContact CG2-CG 3.73Å; L1222-L1249 HydrophobicContact CD2-CD1 3.88Å; L1245-L1249 WeakPolarHBondContact O-CB 3.48Å; L1245-L1249 PolarHBondContact O-N 3.42Å; Y1246-L1249 CarbonylContact O-C 3.6Å; Y1246-L1249 PolarHBondContact O-N 3.49Å |
| 1250 | N | 73.3 | Confident | 79.4 | Confident | 139 Ų | 139 | 90.7 Ų | 90.7 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | 6.2 | 178.9 | -145.1 | 98.9 | 0 | 0 | 0 | 112.2 | Y1246 Q1248 | Y1246-N1250 WeakPolarHBondContact O-CB 3.31Å; Y1246-N1250 PolarHBondContact O-N 3.24Å; Q1248-N1250 VanDerWaalsContact C-N 3.31Å |
| 1251 | N | 59.8 | Low | 78.7 | Confident | 122 Ų | 122 | 88.3 Ų | 88.3 | 65% | 0.652 | 45% | 0.445 | S | S | * | . | trans | -127.8 | -0.1 | -179.9 | -84.9 | 53 | 0 | 0 | 0 | 112.4 | K1247 | K1247-N1251 WeakPolarHBondContact O-CB 2.99Å; K1247-N1251 PolarHBondContact O-N 3.09Å; K1247-N1251 PolarHBondContact O-OD1 2.58Å | ||
| 1252 | N | 48.1 | Very low | 78 | Confident | 177 Ų | 177 | 93.5 Ų | 93.5 | 95% | 0.947 | 47% | 0.471 | S | S | * | . | trans | -123.9 | 0 | 174.6 | -75.8 | -11.9 | 0 | 0 | 0 | 108.4 | Q1248 | Q1248-N1252 WeakPolarHBondContact O-CB 3.36Å; Q1248-N1252 PolarHBondContact O-N 3.18Å |
Retrieved 1,252 of 1,252 residues in 1950.4 ms
(Link to these results)