| 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 | 38.4 | Very low | 73 | Confident | 242 Ų | 242 | 114.3 Ų | 114.3 | 100% | 1.192 | 58% | 0.575 | S | S | * | * | 0 | 102.7 | 0 | -83.9 | 177.5 | 179.5 | 0 | 0 | 108.3 | N3 | M1-N3 PolarHBondContact O-N 2.68Š| |||
| 2 | F | 42.9 | Very low | 75 | Confident | 200 Ų | 200 | 112.3 Ų | 112.3 | 88% | 0.877 | 56% | 0.556 | S | S | * | * | trans | -64.2 | 117.6 | 159.4 | -71.3 | -81.9 | 0 | 0 | 0 | 105.6 | I4 | F2-I4 HydrophobicContact CB-CG1 4.49Å; F2-I4 PolarHBondContact O-N 2.93Å | ||
| 3 | N | 43.8 | Very low | 76.7 | Confident | 103 Ų | 103 | 113.4 Ų | 113.4 | 55% | 0.551 | 55% | 0.551 | S | S | * | * | trans | -71.6 | 85.1 | 177.3 | -160.3 | 1.3 | 0 | 0 | 0 | 107.1 | M1 Q5 T6 | M1-N3 PolarHBondContact O-N 2.68Å; N3-Q5 PolarHBondContact O-N 2.75Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.38Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.45Å; N3-T6 PolarHBondContact O-N 3.26Å | ||
| 4 | I | 53.7 | Low | 78.3 | Confident | 147 Ų | 147 | 114.8 Ų | 114.8 | 75% | 0.754 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 7.3 | 176.5 | -62.4 | 160 | 0 | 0 | 0 | 110.3 | F2 K48 | F2-I4 HydrophobicContact CB-CG1 4.49Å; F2-I4 PolarHBondContact O-N 2.93Å; I4-K48 WeakPolarHBondContact O-CE 3.2Å; I4-K48 PolarHBondContact O-NZ 2.89Å |
| 5 | Q | 65.8 | Low | 79.6 | Confident | 147 Ų | 147 | 107.2 Ų | 107.2 | 69% | 0.687 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | -13.5 | 179.6 | -63 | -168.6 | -23.1 | 0 | 0 | 115.1 | N3 K48 | N3-Q5 PolarHBondContact O-N 2.75Å; N3-Q5 WeakPolarHBondContact OD1-CB 3.38Å; N3-Q5 WeakPolarHBondContact OD1-CG 3.45Å; Q5-K48 VanDerWaalsContact C-CE 3.42Å; Q5-K48 VanDerWaalsContact C-NZ 3.32Å; Q5-K48 WeakPolarHBondContact O-CE 3.33Å; Q5-K48 PolarHBondContact O-NZ 3.39Å |
| 6 | T | 83.9 | Confident | 80.8 | Confident | 93 Ų | 93 | 103.4 Ų | 103.4 | 57% | 0.571 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -81.3 | 145.9 | 178.8 | 57.9 | 0 | 0 | 0 | 0 | 111.3 | N3 K48 | N3-T6 PolarHBondContact O-N 3.26Å; T6-K48 PolarHBondContact O-NZ 2.89Å |
| 7 | V | 92.4 | Very high | 81.8 | Confident | 2 Ų | 2 | 103.1 Ų | 103.1 | 1% | 0.012 | 49% | 0.491 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 131.5 | 166.9 | 177.8 | 0 | 0 | 0 | 0 | 107.7 | V11 R12 S46 R47 K48 T54 | V7-V11 HydrophobicContact CG1-CB 3.8Å; V7-V11 HydrophobicContact CG1-CG1 3.67Å; V7-R12 HydrophobicContact CB-CG 4.08Å; V7-R12 HydrophobicContact CG1-CG 3.84Å; V7-R12 PolarHBondContact O-NE 2.97Å; V7-S46 WeakPolarHBondContact CG2-O 3.5Å; V7-R47 WeakPolarHBondContact CG2-O 3.47Å; V7-K48 HydrophobicContact CG2-CB 3.94Å; V7-K48 HydrophobicContact CG2-CD 4.15Å; V7-K48 HydrophobicContact CG2-CG 4.33Å; V7-T54 HydrophobicContact CG1-CG2 4.32Å |
| 8 | P | 93.6 | Very high | 82.6 | Confident | 65 Ų | 65 | 97.5 Ų | 97.5 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 148 | 178.5 | -28.2 | 36 | 0 | 0 | 0 | 112.9 | D10 V11 R12 | P8-D10 VanDerWaalsContact C-N 3.33Å; P8-D10 WeakPolarHBondContact CB-OD1 3.39Å; P8-D10 PolarHBondContact O-N 3.48Å; P8-V11 HydrophobicContact CB-CB 4.44Å; P8-V11 HydrophobicContact CB-CG2 4.1Å; P8-V11 HydrophobicContact CG-CG2 4.28Å; P8-V11 PolarHBondContact O-N 2.99Å; P8-R12 PolarHBondContact O-N 3.49Å; P8-R12 VanDerWaalsContact O-N 3.08Å |
| 9 | F | 94.9 | Very high | 83.4 | Confident | 144 Ų | 144 | 93.9 Ų | 93.9 | 63% | 0.632 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -61.8 | -41.9 | -178.1 | 174.4 | -93.8 | 0 | 0 | 0 | 111.9 | V11 R12 Y13 | F9-V11 VanDerWaalsContact C-N 3.35Å; F9-V11 PolarHBondContact O-N 3.34Å; F9-R12 PolarHBondContact O-N 3.38Å; F9-Y13 WeakPolarHBondContact O-CB 3.29Å; F9-Y13 PolarHBondContact O-N 2.99Å |
| 10 | D | 96.5 | Very high | 84.1 | Confident | 91 Ų | 91 | 96.3 Ų | 96.3 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 176.7 | 61 | -64.5 | 0 | 0 | 0 | 111.8 | P8 Y13 R14 | P8-D10 VanDerWaalsContact C-N 3.33Å; P8-D10 WeakPolarHBondContact CB-OD1 3.39Å; P8-D10 PolarHBondContact O-N 3.48Å; D10-Y13 PolarHBondContact O-N 3.37Å; D10-R14 WeakPolarHBondContact O-CB 3.34Å; D10-R14 VanDerWaalsContact O-CG 3.29Å; D10-R14 WeakPolarHBondContact O-CG 3.13Å; D10-R14 PolarHBondContact O-N 3.4Å |
| 11 | V | 97 | Very high | 84.7 | Confident | 23 Ų | 23 | 93.7 Ų | 93.7 | 14% | 0.139 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -64.4 | -43.7 | 175.7 | 177.4 | 0 | 0 | 0 | 0 | 111 | V7 P8 F9 Y13 R14 C15 T54 L56 | V7-V11 HydrophobicContact CG1-CB 3.8Å; V7-V11 HydrophobicContact CG1-CG1 3.67Å; P8-V11 HydrophobicContact CB-CB 4.44Å; P8-V11 HydrophobicContact CB-CG2 4.1Å; P8-V11 HydrophobicContact CG-CG2 4.28Å; P8-V11 PolarHBondContact O-N 2.99Å; F9-V11 VanDerWaalsContact C-N 3.35Å; F9-V11 PolarHBondContact O-N 3.34Å; V11-Y13 VanDerWaalsContact C-N 3.33Å; V11-Y13 PolarHBondContact O-N 3.2Å; V11-R14 PolarHBondContact O-N 3.4Å; V11-C15 PolarHBondContact O-N 3.36Å; V11-C15 PolarHBondContact O-SG 2.78Å; V11-T54 HydrophobicContact CG1-CG2 4.13Å; V11-L56 HydrophobicContact CG1-CB 4.04Å; V11-L56 HydrophobicContact CG1-CD2 4.2Å |
| 12 | R | 97.4 | Very high | 87.5 | Confident | 91 Ų | 91 | 82.3 Ų | 82.3 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.3 | -40.7 | 176.3 | -72.4 | -175.3 | -69.5 | 153.1 | 2.8 | 112.2 | V7 P8 F9 C15 E16 K45 | V7-R12 HydrophobicContact CB-CG 4.08Å; V7-R12 HydrophobicContact CG1-CG 3.84Å; V7-R12 PolarHBondContact O-NE 2.97Å; P8-R12 PolarHBondContact O-N 3.49Å; P8-R12 VanDerWaalsContact O-N 3.08Å; F9-R12 PolarHBondContact O-N 3.38Å; R12-C15 WeakPolarHBondContact O-CB 3.45Å; R12-C15 PolarHBondContact O-N 3.19Å; R12-E16 PolarHBondContact O-N 3.36Å; R12-K45 HydrophobicContact CG-CG 4.39Å; R12-K45 WeakPolarHBondContact CG-O 3.19Å |
| 13 | Y | 97.5 | Very high | 90 | Very high | 126 Ų | 126 | 76.7 Ų | 76.7 | 49% | 0.494 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177 | -178.4 | -100.3 | 0 | 0 | 0 | 111.1 | F9 D10 V11 C15 E16 E17 | F9-Y13 WeakPolarHBondContact O-CB 3.29Å; F9-Y13 PolarHBondContact O-N 2.99Å; D10-Y13 PolarHBondContact O-N 3.37Å; V11-Y13 VanDerWaalsContact C-N 3.33Å; V11-Y13 PolarHBondContact O-N 3.2Å; Y13-C15 VanDerWaalsContact C-N 3.25Å; Y13-C15 PolarHBondContact O-N 3.5Å; Y13-E16 WeakPolarHBondContact O-CA 3.41Å; Y13-E16 VanDerWaalsContact O-CB 3.24Å; Y13-E16 WeakPolarHBondContact O-CB 3.29Å; Y13-E16 PolarHBondContact O-N 2.84Å; Y13-E17 HydrophobicContact CD1-CG 4.23Å; Y13-E17 HydrophobicContact CE1-CG 3.86Å; Y13-E17 WeakPolarHBondContact CE1-OE1 3.39Å; Y13-E17 PolarHBondContact O-N 3.34Å; Y13-E17 VanDerWaalsContact O-N 3.1Å |
| 14 | R | 98.1 | Very high | 92.5 | Very high | 133 Ų | 133 | 75.9 Ų | 75.9 | 50% | 0.502 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -62.2 | -29.9 | 175.2 | -72.3 | 178.1 | 69.7 | -169.7 | 0.8 | 113.3 | D10 V11 E16 E17 A18 L56 | D10-R14 WeakPolarHBondContact O-CB 3.34Å; D10-R14 VanDerWaalsContact O-CG 3.29Å; D10-R14 WeakPolarHBondContact O-CG 3.13Å; D10-R14 PolarHBondContact O-N 3.4Å; V11-R14 PolarHBondContact O-N 3.4Å; R14-E16 VanDerWaalsContact C-N 3.3Å; R14-E17 PolarHBondContact O-N 3.08Å; R14-A18 WeakPolarHBondContact O-CB 3.31Å; R14-A18 PolarHBondContact O-N 2.92Å; R14-L56 HydrophobicContact CB-CD1 4.24Å; R14-L56 HydrophobicContact CB-CD2 3.83Å |
| 15 | C | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 69.5 Ų | 69.5 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 170.1 | -66.8 | 0 | 0 | 0 | 0 | 112.3 | V11 R12 Y13 F19 L41 K45 | V11-C15 PolarHBondContact O-N 3.36Å; V11-C15 PolarHBondContact O-SG 2.78Å; R12-C15 WeakPolarHBondContact O-CB 3.45Å; R12-C15 PolarHBondContact O-N 3.19Å; Y13-C15 VanDerWaalsContact C-N 3.25Å; Y13-C15 PolarHBondContact O-N 3.5Å; C15-F19 WeakPolarHBondContact O-CB 3.26Å; C15-F19 PolarHBondContact O-N 3.42Å; C15-L41 HydrophobicContact CB-CD1 3.84Å; C15-L41 WeakPolarHBondContact O-CD1 3.18Å; C15-K45 HydrophobicContact CB-CB 3.97Å |
| 16 | E | 98.2 | Very high | 95.7 | Very high | 47 Ų | 47 | 70.5 Ų | 70.5 | 22% | 0.22 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.2 | -45.3 | 174.9 | -61.6 | -72.2 | 172.1 | 0 | 0 | 111.5 | R12 Y13 R14 A18 F19 F20 K38 L41 K45 | R12-E16 PolarHBondContact O-N 3.36Å; Y13-E16 WeakPolarHBondContact O-CA 3.41Å; Y13-E16 VanDerWaalsContact O-CB 3.24Å; Y13-E16 WeakPolarHBondContact O-CB 3.29Å; Y13-E16 PolarHBondContact O-N 2.84Å; R14-E16 VanDerWaalsContact C-N 3.3Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 3.32Å; E16-F19 PolarHBondContact O-N 3.41Å; E16-F20 WeakPolarHBondContact O-CB 3.09Å; E16-F20 PolarHBondContact O-N 3.12Å; E16-K38 IonicContact OE1-NZ 2.98Å; E16-K38 PolarHBondContact OE1-NZ 3.21Å; E16-K38 IonicContact OE2-NZ 3.83Å; E16-K38 PolarHBondContact OE2-NZ 3.17Å; E16-L41 WeakPolarHBondContact OE2-CD2 3.28Å; E16-K45 WeakPolarHBondContact OE1-CD 3.19Å; E16-K45 IonicContact OE1-NZ 2.73Å; E16-K45 PolarHBondContact OE1-NZ 3.17Å |
| 17 | E | 98.1 | Very high | 96.1 | Very high | 97 Ų | 97 | 71.2 Ų | 71.2 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 175.5 | -64.1 | -177.9 | 117.8 | 0 | 0 | 111.2 | Y13 R14 F19 F20 A21 | Y13-E17 HydrophobicContact CD1-CG 4.23Å; Y13-E17 HydrophobicContact CE1-CG 3.86Å; Y13-E17 WeakPolarHBondContact CE1-OE1 3.39Å; Y13-E17 PolarHBondContact O-N 3.34Å; Y13-E17 VanDerWaalsContact O-N 3.1Å; R14-E17 PolarHBondContact O-N 3.08Å; E17-F19 PolarHBondContact O-N 3.02Å; E17-F20 PolarHBondContact O-N 3.38Å; E17-A21 WeakPolarHBondContact O-CB 3.15Å; E17-A21 PolarHBondContact O-N 3.01Å |
| 18 | A | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 71.3 Ų | 71.3 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -56.5 | -49.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R14 E16 A21 I22 I59 V63 | R14-A18 WeakPolarHBondContact O-CB 3.31Å; R14-A18 PolarHBondContact O-N 2.92Å; E16-A18 VanDerWaalsContact C-N 3.33Å; E16-A18 PolarHBondContact O-N 3.32Å; A18-A21 PolarHBondContact O-N 2.89Å; A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 2.89Å; A18-I59 HydrophobicContact CB-CD1 3.79Å; A18-I59 HydrophobicContact CB-CG1 4.38Å; A18-V63 HydrophobicContact CB-CB 4.38Å; A18-V63 HydrophobicContact CB-CG1 4.1Å; A18-V63 HydrophobicContact CB-CG2 3.34Å |
| 19 | F | 97.8 | Very high | 96.4 | Very high | 29 Ų | 29 | 73 Ų | 73 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.8 | -45.2 | 177.1 | 169.2 | -100.4 | 0 | 0 | 0 | 111.7 | C15 E16 E17 A21 I22 N23 L36 K38 L41 | C15-F19 WeakPolarHBondContact O-CB 3.26Å; C15-F19 PolarHBondContact O-N 3.42Å; E16-F19 PolarHBondContact O-N 3.41Å; E17-F19 PolarHBondContact O-N 3.02Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 3.37Å; F19-I22 PolarHBondContact O-N 3.32Å; F19-N23 HydrophobicContact CE2-CB 4.35Å; F19-N23 HydrophobicContact CZ-CB 4.28Å; F19-N23 WeakPolarHBondContact O-CB 3.46Å; F19-N23 PolarHBondContact O-N 2.82Å; F19-L36 HydrophobicContact CD2-CD2 4.35Å; F19-L36 HydrophobicContact CD2-CG 4.22Å; F19-L36 WeakPolarHBondContact CE2-O 3.32Å; F19-K38 HydrophobicContact CD1-CD 4.48Å; F19-K38 HydrophobicContact CE1-CB 4.07Å; F19-K38 HydrophobicContact CE1-CD 4.1Å; F19-K38 HydrophobicContact CZ-CB 3.81Å; F19-L41 HydrophobicContact CB-CD1 4.17Å; F19-L41 HydrophobicContact CB-CD2 3.48Å; F19-L41 VanDerWaalsContact CB-CD2 3.48Å; F19-L41 HydrophobicContact CB-CG 4.36Å; F19-L41 HydrophobicContact CD1-CD2 3.73Å; F19-L41 HydrophobicContact CD2-CD2 4.25Å; F19-L41 HydrophobicContact CG-CD2 3.55Å |
| 20 | F | 97.2 | Very high | 96.5 | Very high | 142 Ų | 142 | 66.2 Ų | 66.2 | 62% | 0.623 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -43.8 | 178 | -177.6 | -89.7 | 0 | 0 | 0 | 111.7 | E16 E17 N24 | E16-F20 WeakPolarHBondContact O-CB 3.09Å; E16-F20 PolarHBondContact O-N 3.12Å; E17-F20 PolarHBondContact O-N 3.38Å; F20-N24 WeakPolarHBondContact CD2-ND2 3.42Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.21Å; F20-N24 WeakPolarHBondContact CG-ND2 3.46Å; F20-N24 VanDerWaalsContact CZ-ND2 3.28Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.28Å; F20-N24 WeakPolarHBondContact O-CB 2.9Å; F20-N24 PolarHBondContact O-N 3.32Å; F20-N24 VanDerWaalsContact O-N 3.1Å; F20-N24 PolarHBondContact O-ND2 3.22Å |
| 21 | A | 96.6 | Very high | 96.6 | Very high | 41 Ų | 41 | 63 Ų | 63 | 34% | 0.339 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -48.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E17 A18 F19 A25 V63 | E17-A21 WeakPolarHBondContact O-CB 3.15Å; E17-A21 PolarHBondContact O-N 3.01Å; A18-A21 PolarHBondContact O-N 2.89Å; F19-A21 VanDerWaalsContact C-N 3.35Å; F19-A21 PolarHBondContact O-N 3.37Å; A21-A25 VanDerWaalsContact O-CB 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.43Å; A21-A25 PolarHBondContact O-N 2.98Å; A21-V63 HydrophobicContact CB-CG1 4.4Å |
| 22 | I | 96.5 | Very high | 96.6 | Very high | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.015 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64 | -45.8 | 179.5 | -71 | 174 | 0 | 0 | 0 | 111.3 | A18 F19 A25 V32 K33 V63 L66 | A18-I22 WeakPolarHBondContact O-CG1 3.32Å; A18-I22 PolarHBondContact O-N 2.89Å; F19-I22 PolarHBondContact O-N 3.32Å; I22-A25 PolarHBondContact O-N 2.94Å; I22-V32 HydrophobicContact CD1-CG1 3.9Å; I22-K33 HydrophobicContact CG2-CB 3.43Å; I22-K33 VanDerWaalsContact CG2-CB 3.43Å; I22-K33 HydrophobicContact CG2-CD 4.36Å; I22-K33 HydrophobicContact CG2-CG 3.76Å; I22-K33 WeakPolarHBondContact O-CD 3.46Å; I22-K33 WeakPolarHBondContact O-CE 3.15Å; I22-V63 HydrophobicContact CD1-CB 4.37Å; I22-V63 HydrophobicContact CD1-CG2 3.54Å; I22-V63 HydrophobicContact CG1-CG2 4.09Å; I22-L66 HydrophobicContact CG1-CD2 4.3Å |
| 23 | N | 95.5 | Very high | 96.7 | Very high | 82 Ų | 82 | 60.4 Ų | 60.4 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.9 | -36.4 | -173.2 | -169.5 | 68 | 0 | 0 | 0 | 112.6 | F19 | F19-N23 HydrophobicContact CE2-CB 4.35Å; F19-N23 HydrophobicContact CZ-CB 4.28Å; F19-N23 WeakPolarHBondContact O-CB 3.46Å; F19-N23 PolarHBondContact O-N 2.82Å |
| 24 | N | 95.4 | Very high | 96.7 | Very high | 87 Ų | 87 | 60.2 Ų | 60.2 | 47% | 0.465 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -89 | -7.8 | -179.5 | -65.5 | -64.9 | 0 | 0 | 0 | 114.1 | F20 N26 | F20-N24 WeakPolarHBondContact CD2-ND2 3.42Å; F20-N24 WeakPolarHBondContact CE2-ND2 3.21Å; F20-N24 WeakPolarHBondContact CG-ND2 3.46Å; F20-N24 VanDerWaalsContact CZ-ND2 3.28Å; F20-N24 WeakPolarHBondContact CZ-ND2 3.28Å; F20-N24 WeakPolarHBondContact O-CB 2.9Å; F20-N24 PolarHBondContact O-N 3.32Å; F20-N24 VanDerWaalsContact O-N 3.1Å; F20-N24 PolarHBondContact O-ND2 3.22Å; N24-N26 PolarHBondContact O-N 2.93Å |
| 25 | A | 94.9 | Very high | 96.7 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 10% | 0.099 | 29% | 0.293 | C | S | . | . | trans | -74.1 | 115.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A21 I22 N27 C28 K33 L66 | A21-A25 VanDerWaalsContact O-CB 3.26Å; A21-A25 WeakPolarHBondContact O-CB 3.43Å; A21-A25 PolarHBondContact O-N 2.98Å; I22-A25 PolarHBondContact O-N 2.94Å; A25-N27 VanDerWaalsContact C-N 3.28Å; A25-N27 PolarHBondContact O-N 2.96Å; A25-C28 HydrophobicContact CB-CB 3.69Å; A25-C28 PolarHBondContact O-N 3.12Å; A25-K33 PolarHBondContact O-NZ 3.47Å; A25-L66 HydrophobicContact CB-CD1 3.68Å; A25-L66 HydrophobicContact CB-CD2 3.87Å; A25-L66 HydrophobicContact CB-CG 4.26Å | ||
| 26 | N | 93.1 | Very high | 96.7 | Very high | 168 Ų | 168 | 56.7 Ų | 56.7 | 90% | 0.898 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -29.8 | 177.4 | -70.1 | -25.5 | 0 | 0 | 0 | 113.3 | N24 C28 | N24-N26 PolarHBondContact O-N 2.93Å; N26-C28 VanDerWaalsContact C-N 3.33Å |
| 27 | N | 92.9 | Very high | 96.6 | Very high | 108 Ų | 108 | 57.7 Ų | 57.7 | 58% | 0.578 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.5 | 178.9 | 66.8 | -33.7 | 0 | 0 | 0 | 113.6 | A25 | A25-N27 VanDerWaalsContact C-N 3.28Å; A25-N27 PolarHBondContact O-N 2.96Å |
| 28 | C | 95.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 57.1 Ų | 57.1 | 3% | 0.034 | 30% | 0.3 | C | S | . | . | trans | -97 | 123.9 | 177 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | A25 N26 S30 K33 L66 | A25-C28 HydrophobicContact CB-CB 3.69Å; A25-C28 PolarHBondContact O-N 3.12Å; N26-C28 VanDerWaalsContact C-N 3.33Å; C28-S30 PolarHBondContact SG-OG 2.59Å; C28-K33 HydrophobicContact CB-CD 3.86Å; C28-K33 WeakPolarHBondContact O-CD 3.42Å; C28-K33 WeakPolarHBondContact O-CE 3.29Å; C28-K33 PolarHBondContact O-NZ 2.76Å; C28-L66 VanDerWaalsContact CA-O 3.24Å; C28-L66 WeakPolarHBondContact CA-O 3.49Å; C28-L66 HydrophobicContact CB-CB 4.14Å; C28-L66 HydrophobicContact CB-CD2 4.22Å; C28-L66 WeakPolarHBondContact CB-O 3.45Å; C28-L66 PolarHBondContact SG-O 2.97Å | ||
| 29 | S | 95.3 | Very high | 96.6 | Very high | 100 Ų | 100 | 64.9 Ų | 64.9 | 70% | 0.699 | 34% | 0.335 | S | S | * | . | trans | -128 | 17.4 | 176.1 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 30 | S | 97.7 | Very high | 96.5 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.007 | 34% | 0.337 | C | S | . | . | trans | -61.6 | 152.2 | -175.9 | 70.1 | 0 | 0 | 0 | 0 | 113.1 | C28 V32 K33 K34 S68 S69 | C28-S30 PolarHBondContact SG-OG 2.59Å; S30-V32 PolarHBondContact O-N 3.07Å; S30-K33 WeakPolarHBondContact O-CB 3.13Å; S30-K33 PolarHBondContact O-N 2.79Å; S30-K33 PolarHBondContact OG-N 3.09Å; S30-K34 PolarHBondContact O-N 2.72Å; S30-S68 WeakPolarHBondContact CA-O 3.36Å; S30-S68 WeakPolarHBondContact CB-O 3.36Å; S30-S69 CarbonylContact C-O 3.53Å; S30-S69 WeakPolarHBondContact CA-O 3.33Å | ||
| 31 | L | 98.4 | Very high | 96.6 | Very high | 25 Ų | 25 | 58.2 Ų | 58.2 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.4 | -31.9 | 171.8 | -61.5 | -173.4 | 0 | 0 | 0 | 112.3 | K34 Y35 S69 V70 I90 D93 | L31-K34 HydrophobicContact CD2-CD 4.34Å; L31-K34 PolarHBondContact O-N 2.9Å; L31-Y35 HydrophobicContact CB-CD2 4.36Å; L31-Y35 HydrophobicContact CD2-CE2 4.34Å; L31-Y35 VanDerWaalsContact O-CD2 3.25Å; L31-Y35 WeakPolarHBondContact O-CD2 3.47Å; L31-Y35 PolarHBondContact O-N 2.6Å; L31-S69 PolarHBondContact N-O 3.33Å; L31-V70 HydrophobicContact CD1-CG2 4.24Å; L31-V70 PolarHBondContact N-O 2.69Å; L31-I90 HydrophobicContact CB-CG1 3.96Å; L31-I90 HydrophobicContact CB-CG2 4.3Å; L31-I90 HydrophobicContact CD1-CG2 3.96Å; L31-D93 HydrophobicContact CD1-CB 4.33Å; L31-D93 HydrophobicContact CD2-CB 4.36Å; L31-D93 WeakPolarHBondContact CD2-OD2 3.29Å |
| 32 | V | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.7 | -46.4 | 170.2 | 169.4 | 0 | 0 | 0 | 0 | 111.3 | I22 S30 K34 Y35 L36 I59 V70 G71 A72 I90 | I22-V32 HydrophobicContact CD1-CG1 3.9Å; S30-V32 PolarHBondContact O-N 3.07Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.07Å; V32-Y35 PolarHBondContact O-N 3.14Å; V32-L36 HydrophobicContact CG1-CB 4.15Å; V32-L36 HydrophobicContact CG1-CD2 4.17Å; V32-L36 WeakPolarHBondContact O-CB 3.34Å; V32-L36 PolarHBondContact O-N 2.96Å; V32-I59 HydrophobicContact CG1-CB 4.26Å; V32-I59 HydrophobicContact CG1-CG2 3.94Å; V32-I59 HydrophobicContact CG2-CG2 4.45Å; V32-V70 WeakPolarHBondContact CG2-O 3.32Å; V32-V70 PolarHBondContact N-O 2.74Å; V32-G71 VanDerWaalsContact CG2-C 3.44Å; V32-G71 WeakPolarHBondContact CG2-O 3.26Å; V32-A72 HydrophobicContact CG2-CB 3.5Å; V32-A72 VanDerWaalsContact CG2-CB 3.5Å; V32-I90 HydrophobicContact CG2-CD1 4.01Å |
| 33 | K | 97.8 | Very high | 96.6 | Very high | 58 Ų | 58 | 64.5 Ų | 64.5 | 25% | 0.252 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.3 | -42.6 | 175.4 | -175.3 | 177.7 | 178.2 | 179.4 | 0 | 111.7 | I22 A25 C28 S30 Y35 | I22-K33 HydrophobicContact CG2-CB 3.43Å; I22-K33 VanDerWaalsContact CG2-CB 3.43Å; I22-K33 HydrophobicContact CG2-CD 4.36Å; I22-K33 HydrophobicContact CG2-CG 3.76Å; I22-K33 WeakPolarHBondContact O-CD 3.46Å; I22-K33 WeakPolarHBondContact O-CE 3.15Å; A25-K33 PolarHBondContact O-NZ 3.47Å; C28-K33 HydrophobicContact CB-CD 3.86Å; C28-K33 WeakPolarHBondContact O-CD 3.42Å; C28-K33 WeakPolarHBondContact O-CE 3.29Å; C28-K33 PolarHBondContact O-NZ 2.76Å; S30-K33 WeakPolarHBondContact O-CB 3.13Å; S30-K33 PolarHBondContact O-N 2.79Å; S30-K33 PolarHBondContact OG-N 3.09Å; K33-Y35 VanDerWaalsContact C-N 3.35Å; K33-Y35 PolarHBondContact O-N 2.78Å |
| 34 | K | 97.8 | Very high | 96.7 | Very high | 123 Ų | 123 | 60.6 Ų | 60.6 | 54% | 0.535 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -40.4 | -179 | -173.9 | 177.7 | 176.6 | -173.2 | 0 | 112.3 | S30 L31 V32 D93 | S30-K34 PolarHBondContact O-N 2.72Å; L31-K34 HydrophobicContact CD2-CD 4.34Å; L31-K34 PolarHBondContact O-N 2.9Å; V32-K34 VanDerWaalsContact C-N 3.29Å; V32-K34 PolarHBondContact O-N 3.07Å; K34-D93 IonicContact NZ-OD1 2.78Å; K34-D93 IonicContact NZ-OD2 2.69Å; K34-D93 PolarHBondContact NZ-OD2 2.91Å |
| 35 | Y | 98 | Very high | 96.7 | Very high | 54 Ų | 54 | 58.4 Ų | 58.4 | 21% | 0.212 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -109.1 | -25.7 | -169 | -66.2 | -61.3 | 0 | 0 | 0 | 115.7 | L31 V32 K33 T37 M40 P89 I90 D93 | L31-Y35 HydrophobicContact CB-CD2 4.36Å; L31-Y35 HydrophobicContact CD2-CE2 4.34Å; L31-Y35 VanDerWaalsContact O-CD2 3.25Å; L31-Y35 WeakPolarHBondContact O-CD2 3.47Å; L31-Y35 PolarHBondContact O-N 2.6Å; V32-Y35 PolarHBondContact O-N 3.14Å; K33-Y35 VanDerWaalsContact C-N 3.35Å; K33-Y35 PolarHBondContact O-N 2.78Å; Y35-T37 PolarHBondContact O-N 3.13Å; Y35-M40 WeakPolarHBondContact O-CE 3.38Å; Y35-M40 VanDerWaalsContact O-SD 3.41Å; Y35-P89 HydrophobicContact CD1-CB 3.56Å; Y35-P89 HydrophobicContact CD1-CG 4.04Å; Y35-P89 HydrophobicContact CD2-CB 4.15Å; Y35-P89 HydrophobicContact CE1-CB 3.69Å; Y35-P89 HydrophobicContact CE2-CB 4.27Å; Y35-P89 WeakPolarHBondContact CE2-O 3.21Å; Y35-P89 HydrophobicContact CG-CB 3.8Å; Y35-P89 HydrophobicContact CG-CG 3.96Å; Y35-I90 HydrophobicContact CD2-CG1 3.88Å; Y35-D93 HydrophobicContact CE2-CB 3.83Å; Y35-D93 WeakPolarHBondContact CE2-OD2 3.23Å; Y35-D93 WeakPolarHBondContact OH-CB 3.42Å; Y35-D93 PolarHBondContact OH-OD2 3.5Å |
| 36 | L | 98 | Very high | 96.8 | Very high | 5 Ų | 5 | 60.9 Ų | 60.9 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -76.9 | 86.6 | 175.8 | -176.1 | 64.4 | 0 | 0 | 0 | 109.9 | F19 V32 M40 L41 L55 I59 L86 | F19-L36 HydrophobicContact CD2-CD2 4.35Å; F19-L36 HydrophobicContact CD2-CG 4.22Å; F19-L36 WeakPolarHBondContact CE2-O 3.32Å; V32-L36 HydrophobicContact CG1-CB 4.15Å; V32-L36 HydrophobicContact CG1-CD2 4.17Å; V32-L36 WeakPolarHBondContact O-CB 3.34Å; V32-L36 PolarHBondContact O-N 2.96Å; L36-M40 HydrophobicContact CD1-CB 4.41Å; L36-M40 HydrophobicContact CD1-CG 4.24Å; L36-M40 HydrophobicContact CD1-SD 4.3Å; L36-L41 HydrophobicContact CD1-CB 4.25Å; L36-L55 HydrophobicContact CD1-CD2 4.38Å; L36-I59 HydrophobicContact CD2-CD1 3.92Å; L36-I59 HydrophobicContact CD2-CG2 4.33Å; L36-L86 HydrophobicContact CB-CD1 3.94Å; L36-L86 HydrophobicContact CD1-CD2 4.45Å | ||
| 37 | T | 97.3 | Very high | 97 | Very high | 69 Ų | 69 | 56 Ų | 56 | 42% | 0.423 | 28% | 0.281 | S | S | . | . | trans | -79.5 | 163.4 | 173.5 | 69.8 | 0 | 0 | 0 | 0 | 111.5 | Y35 Q39 M40 L41 | Y35-T37 PolarHBondContact O-N 3.13Å; T37-Q39 VanDerWaalsContact C-N 3.28Å; T37-Q39 PolarHBondContact O-N 3.32Å; T37-M40 WeakPolarHBondContact O-CB 3.21Å; T37-M40 PolarHBondContact O-N 2.93Å; T37-M40 PolarHBondContact OG1-N 2.96Å; T37-L41 PolarHBondContact O-N 2.95Å | ||
| 38 | K | 97.7 | Very high | 97.2 | Very high | 85 Ų | 85 | 54 Ų | 54 | 37% | 0.37 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.2 | -42.4 | 174.6 | 179.5 | 53.1 | 177.5 | 158 | 0 | 112.4 | E16 F19 M40 L41 D42 | E16-K38 IonicContact OE1-NZ 2.98Å; E16-K38 PolarHBondContact OE1-NZ 3.21Å; E16-K38 IonicContact OE2-NZ 3.83Å; E16-K38 PolarHBondContact OE2-NZ 3.17Å; F19-K38 HydrophobicContact CD1-CD 4.48Å; F19-K38 HydrophobicContact CE1-CB 4.07Å; F19-K38 HydrophobicContact CE1-CD 4.1Å; F19-K38 HydrophobicContact CZ-CB 3.81Å; K38-M40 VanDerWaalsContact C-N 3.31Å; K38-M40 PolarHBondContact O-N 2.83Å; K38-L41 HydrophobicContact CD-CD2 4.03Å; K38-L41 WeakPolarHBondContact O-CB 3.47Å; K38-L41 PolarHBondContact O-N 2.95Å; K38-D42 VanDerWaalsContact CE-OD2 3.26Å; K38-D42 WeakPolarHBondContact CE-OD2 3.36Å; K38-D42 IonicContact NZ-OD1 2.77Å; K38-D42 PolarHBondContact NZ-OD1 3.28Å; K38-D42 IonicContact NZ-OD2 3.43Å; K38-D42 PolarHBondContact NZ-OD2 2.89Å; K38-D42 PolarHBondContact O-N 3.02Å |
| 39 | Q | 97.4 | Very high | 97.3 | Very high | 165 Ų | 165 | 54.1 Ų | 54.1 | 77% | 0.771 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 175.4 | -173.7 | -174.2 | 19 | 0 | 0 | 111.8 | T37 K43 | T37-Q39 VanDerWaalsContact C-N 3.28Å; T37-Q39 PolarHBondContact O-N 3.32Å; Q39-K43 PolarHBondContact O-N 2.72Å |
| 40 | M | 96.7 | Very high | 97.3 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 15% | 0.153 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 177.7 | -172 | -178.4 | -63.1 | 0 | 0 | 111.5 | Y35 L36 T37 K38 D42 K43 L44 E85 L86 | Y35-M40 WeakPolarHBondContact O-CE 3.38Å; Y35-M40 VanDerWaalsContact O-SD 3.41Å; L36-M40 HydrophobicContact CD1-CB 4.41Å; L36-M40 HydrophobicContact CD1-CG 4.24Å; L36-M40 HydrophobicContact CD1-SD 4.3Å; T37-M40 WeakPolarHBondContact O-CB 3.21Å; T37-M40 PolarHBondContact O-N 2.93Å; T37-M40 PolarHBondContact OG1-N 2.96Å; K38-M40 VanDerWaalsContact C-N 3.31Å; K38-M40 PolarHBondContact O-N 2.83Å; M40-D42 PolarHBondContact O-N 2.93Å; M40-K43 WeakPolarHBondContact O-CB 3.46Å; M40-K43 PolarHBondContact O-N 2.89Å; M40-K43 VanDerWaalsContact O-N 3.17Å; M40-L44 HydrophobicContact CG-CD1 3.54Å; M40-L44 HydrophobicContact CG-CG 3.96Å; M40-L44 WeakPolarHBondContact O-CB 3.5Å; M40-L44 VanDerWaalsContact O-CG 3.31Å; M40-L44 WeakPolarHBondContact O-CG 3.27Å; M40-L44 PolarHBondContact O-N 3.02Å; M40-L44 HydrophobicContact SD-CD1 4Å; M40-E85 HydrophobicContact CE-CB 4.4Å; M40-E85 WeakPolarHBondContact CE-O 3.47Å; M40-E85 HydrophobicContact CG-CB 4.47Å; M40-E85 HydrophobicContact SD-CB 4.47Å; M40-L86 HydrophobicContact SD-CB 3.74Å; M40-L86 HydrophobicContact SD-CD1 3.95Å; M40-L86 HydrophobicContact SD-CG 4.44Å |
| 41 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -53.7 | -51.1 | 174.9 | 173.5 | 71.4 | 0 | 0 | 0 | 111.4 | C15 E16 F19 L36 T37 K38 K43 L44 K45 L55 | C15-L41 HydrophobicContact CB-CD1 3.84Å; C15-L41 WeakPolarHBondContact O-CD1 3.18Å; E16-L41 WeakPolarHBondContact OE2-CD2 3.28Å; F19-L41 HydrophobicContact CB-CD1 4.17Å; F19-L41 HydrophobicContact CB-CD2 3.48Å; F19-L41 VanDerWaalsContact CB-CD2 3.48Å; F19-L41 HydrophobicContact CB-CG 4.36Å; F19-L41 HydrophobicContact CD1-CD2 3.73Å; F19-L41 HydrophobicContact CD2-CD2 4.25Å; F19-L41 HydrophobicContact CG-CD2 3.55Å; L36-L41 HydrophobicContact CD1-CB 4.25Å; T37-L41 PolarHBondContact O-N 2.95Å; K38-L41 HydrophobicContact CD-CD2 4.03Å; K38-L41 WeakPolarHBondContact O-CB 3.47Å; K38-L41 PolarHBondContact O-N 2.95Å; L41-K43 PolarHBondContact O-N 2.86Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-L44 VanDerWaalsContact O-N 3.15Å; L41-K45 HydrophobicContact CD1-CB 4.34Å; L41-K45 HydrophobicContact CG-CD 4.48Å; L41-K45 VanDerWaalsContact O-CB 3.29Å; L41-K45 WeakPolarHBondContact O-CB 3.37Å; L41-K45 WeakPolarHBondContact O-CG 3.43Å; L41-K45 PolarHBondContact O-N 3.26Å; L41-L55 HydrophobicContact CD1-CD2 3.84Å |
| 42 | D | 97 | Very high | 97.2 | Very high | 67 Ų | 67 | 64.5 Ų | 64.5 | 36% | 0.358 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.3 | -33.9 | -178.6 | -73.1 | -32.5 | 0 | 0 | 0 | 112.4 | K38 M40 K45 | K38-D42 VanDerWaalsContact CE-OD2 3.26Å; K38-D42 WeakPolarHBondContact CE-OD2 3.36Å; K38-D42 IonicContact NZ-OD1 2.77Å; K38-D42 PolarHBondContact NZ-OD1 3.28Å; K38-D42 IonicContact NZ-OD2 3.43Å; K38-D42 PolarHBondContact NZ-OD2 2.89Å; K38-D42 PolarHBondContact O-N 3.02Å; M40-D42 PolarHBondContact O-N 2.93Å; D42-K45 IonicContact OD1-NZ 2.87Å; D42-K45 PolarHBondContact OD1-NZ 3Å |
| 43 | K | 95.7 | Very high | 97.1 | Very high | 109 Ų | 109 | 64.5 Ų | 64.5 | 47% | 0.474 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -75.2 | -38.7 | 176 | -165.6 | -169.8 | -164.1 | -168.9 | 0 | 113.3 | Q39 M40 L41 E85 | Q39-K43 PolarHBondContact O-N 2.72Å; M40-K43 WeakPolarHBondContact O-CB 3.46Å; M40-K43 PolarHBondContact O-N 2.89Å; M40-K43 VanDerWaalsContact O-N 3.17Å; L41-K43 PolarHBondContact O-N 2.86Å; K43-E85 WeakPolarHBondContact CE-OE1 3.48Å; K43-E85 IonicContact NZ-OE1 2.75Å; K43-E85 PolarHBondContact NZ-OE1 2.87Å |
| 44 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -94.2 | -29.6 | -168.9 | -66.8 | -171.5 | 0 | 0 | 0 | 113.6 | M40 L41 S46 R47 L55 F83 E85 L86 | M40-L44 HydrophobicContact CG-CD1 3.54Å; M40-L44 HydrophobicContact CG-CG 3.96Å; M40-L44 WeakPolarHBondContact O-CB 3.5Å; M40-L44 VanDerWaalsContact O-CG 3.31Å; M40-L44 WeakPolarHBondContact O-CG 3.27Å; M40-L44 PolarHBondContact O-N 3.02Å; M40-L44 HydrophobicContact SD-CD1 4Å; L41-L44 PolarHBondContact O-N 2.97Å; L41-L44 VanDerWaalsContact O-N 3.15Å; L44-S46 PolarHBondContact O-N 3.32Å; L44-S46 VanDerWaalsContact O-N 3.08Å; L44-R47 WeakPolarHBondContact O-CB 3.41Å; L44-R47 PolarHBondContact O-N 3.37Å; L44-L55 HydrophobicContact CB-CD1 4.35Å; L44-L55 HydrophobicContact CB-CD2 3.88Å; L44-L55 HydrophobicContact CD1-CD1 4.41Å; L44-F83 HydrophobicContact CB-CD1 4.31Å; L44-F83 HydrophobicContact CD2-CD1 4.38Å; L44-E85 HydrophobicContact CD1-CB 4.49Å; L44-E85 HydrophobicContact CD2-CB 4.47Å; L44-L86 HydrophobicContact CD1-CB 3.85Å |
| 45 | K | 97.3 | Very high | 97.2 | Very high | 41 Ų | 41 | 56.5 Ų | 56.5 | 18% | 0.178 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -25.3 | -175.3 | 71.8 | -169.1 | -177.4 | -165.2 | 0 | 113.9 | R12 C15 E16 L41 D42 L55 | R12-K45 HydrophobicContact CG-CG 4.39Å; R12-K45 WeakPolarHBondContact CG-O 3.19Å; C15-K45 HydrophobicContact CB-CB 3.97Å; E16-K45 WeakPolarHBondContact OE1-CD 3.19Å; E16-K45 IonicContact OE1-NZ 2.73Å; E16-K45 PolarHBondContact OE1-NZ 3.17Å; L41-K45 HydrophobicContact CD1-CB 4.34Å; L41-K45 HydrophobicContact CG-CD 4.48Å; L41-K45 VanDerWaalsContact O-CB 3.29Å; L41-K45 WeakPolarHBondContact O-CB 3.37Å; L41-K45 WeakPolarHBondContact O-CG 3.43Å; L41-K45 PolarHBondContact O-N 3.26Å; D42-K45 IonicContact OD1-NZ 2.87Å; D42-K45 PolarHBondContact OD1-NZ 3Å; K45-L55 HydrophobicContact CB-CD2 4.34Å |
| 46 | S | 96.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 45% | 0.448 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -3 | 179.5 | 50.5 | 0 | 0 | 0 | 0 | 114.1 | V7 L44 | V7-S46 WeakPolarHBondContact CG2-O 3.5Å; L44-S46 PolarHBondContact O-N 3.32Å; L44-S46 VanDerWaalsContact O-N 3.08Å |
| 47 | R | 97.1 | Very high | 97.2 | Very high | 66 Ų | 66 | 55 Ų | 55 | 25% | 0.249 | 27% | 0.267 | C | S | . | . | trans | -90.2 | 150.2 | 177.6 | -61.3 | -174.5 | -175.2 | 175.6 | 3.3 | 111.4 | V7 L44 T82 F83 E85 | V7-R47 WeakPolarHBondContact CG2-O 3.47Å; L44-R47 WeakPolarHBondContact O-CB 3.41Å; L44-R47 PolarHBondContact O-N 3.37Å; R47-T82 HydrophobicContact CB-CG2 3.92Å; R47-T82 WeakPolarHBondContact CD-O 3.29Å; R47-T82 PolarHBondContact NH1-O 2.87Å; R47-F83 HydrophobicContact CB-CE1 3.89Å; R47-E85 IonicContact CZ-OE1 2.72Å; R47-E85 IonicContact CZ-OE2 3.41Å; R47-E85 VanDerWaalsContact NH1-CD 3.32Å; R47-E85 IonicContact NH1-OE1 2.79Å; R47-E85 PolarHBondContact NH1-OE1 3.15Å; R47-E85 IonicContact NH1-OE2 3.44Å; R47-E85 PolarHBondContact NH1-OE2 3.34Å; R47-E85 IonicContact NH2-OE1 2.57Å; R47-E85 PolarHBondContact NH2-OE1 2.77Å; R47-E85 IonicContact NH2-OE2 2.76Å | ||
| 48 | K | 96.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -145 | 153 | 168.9 | 64.9 | -169.5 | -169.6 | -172.4 | 0 | 111.6 | I4 Q5 T6 V7 G53 | I4-K48 WeakPolarHBondContact O-CE 3.2Å; I4-K48 PolarHBondContact O-NZ 2.89Å; Q5-K48 VanDerWaalsContact C-CE 3.42Å; Q5-K48 VanDerWaalsContact C-NZ 3.32Å; Q5-K48 WeakPolarHBondContact O-CE 3.33Å; Q5-K48 PolarHBondContact O-NZ 3.39Å; T6-K48 PolarHBondContact O-NZ 2.89Å; V7-K48 HydrophobicContact CG2-CB 3.94Å; V7-K48 HydrophobicContact CG2-CD 4.15Å; V7-K48 HydrophobicContact CG2-CG 4.33Å; K48-G53 CarbonylContact C-O 3.55Å; K48-G53 WeakPolarHBondContact CA-O 3.49Å |
| 49 | T | 97.5 | Very high | 97.3 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 4% | 0.037 | 23% | 0.23 | C | C | . | . | trans | -75.7 | 170.2 | 173.3 | 72.4 | 0 | 0 | 0 | 0 | 110.5 | M51 G52 G53 D76 Q78 A79 T82 F83 | T49-M51 PolarHBondContact O-N 2.97Å; T49-M51 PolarHBondContact OG1-N 2.8Å; T49-G52 PolarHBondContact O-N 2.91Å; T49-G52 VanDerWaalsContact O-N 3.07Å; T49-G52 PolarHBondContact OG1-N 3.31Å; T49-G53 PolarHBondContact N-O 3.08Å; T49-G53 PolarHBondContact OG1-N 2.71Å; T49-D76 WeakPolarHBondContact CB-OD2 3.39Å; T49-D76 WeakPolarHBondContact CG2-OD1 3.46Å; T49-D76 VanDerWaalsContact CG2-OD2 3.28Å; T49-D76 WeakPolarHBondContact CG2-OD2 3.15Å; T49-D76 PolarHBondContact OG1-OD2 2.83Å; T49-Q78 HydrophobicContact CG2-CB 4.34Å; T49-A79 HydrophobicContact CG2-CB 4.15Å; T49-T82 HydrophobicContact CG2-CG2 4.26Å; T49-F83 HydrophobicContact CG2-CE2 4.02Å | ||
| 50 | R | 96 | Very high | 97.4 | Very high | 220 Ų | 220 | 40.8 Ų | 40.8 | 83% | 0.83 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -29.6 | 174.5 | -74.4 | -177.8 | -86.3 | -175.3 | -6.7 | 112.6 | G52 Q78 | R50-G52 VanDerWaalsContact C-N 3.3Å; R50-Q78 VanDerWaalsContact NE-NE2 3.11Å |
| 51 | M | 96 | Very high | 97.4 | Very high | 90 Ų | 90 | 39.4 Ų | 39.4 | 44% | 0.443 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2.5 | 176.6 | -68.4 | 176.2 | 170.3 | 0 | 0 | 112.7 | T49 D76 G139 P141 L145 | T49-M51 PolarHBondContact O-N 2.97Å; T49-M51 PolarHBondContact OG1-N 2.8Å; M51-D76 HydrophobicContact CB-CB 4.4Å; M51-D76 HydrophobicContact SD-CB 3.9Å; M51-G139 WeakPolarHBondContact CE-O 3.26Å; M51-P141 HydrophobicContact SD-CB 3.73Å; M51-P141 HydrophobicContact SD-CG 4.49Å; M51-L145 HydrophobicContact CB-CD1 4.04Å |
| 52 | G | 96.1 | Very high | 97.4 | Very high | 35 Ų | 35 | 39.4 Ų | 39.4 | 36% | 0.361 | 19% | 0.19 | S | C | . | . | trans | 95.3 | 4.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | T49 R50 T54 | T49-G52 PolarHBondContact O-N 2.91Å; T49-G52 VanDerWaalsContact O-N 3.07Å; T49-G52 PolarHBondContact OG1-N 3.31Å; R50-G52 VanDerWaalsContact C-N 3.3Å; G52-T54 WeakPolarHBondContact O-CG2 3.37Å | ||
| 53 | G | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -62.6 | 133 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K48 T49 | K48-G53 CarbonylContact C-O 3.55Å; K48-G53 WeakPolarHBondContact CA-O 3.49Å; T49-G53 PolarHBondContact N-O 3.08Å; T49-G53 PolarHBondContact OG1-N 2.71Å | ||
| 54 | T | 98.3 | Very high | 97.4 | Very high | 13 Ų | 13 | 37.5 Ų | 37.5 | 8% | 0.08 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -115.8 | 168.8 | -176.5 | 69.3 | 0 | 0 | 0 | 0 | 111.8 | V7 V11 G52 L56 D57 V58 F83 | V7-T54 HydrophobicContact CG1-CG2 4.32Å; V11-T54 HydrophobicContact CG1-CG2 4.13Å; G52-T54 WeakPolarHBondContact O-CG2 3.37Å; T54-L56 PolarHBondContact O-N 2.96Å; T54-L56 PolarHBondContact OG1-N 3.48Å; T54-D57 PolarHBondContact N-OD2 3.06Å; T54-D57 PolarHBondContact O-N 2.75Å; T54-D57 PolarHBondContact OG1-N 3.11Å; T54-D57 PolarHBondContact OG1-OD2 2.99Å; T54-V58 PolarHBondContact O-N 3.4Å; T54-F83 VanDerWaalsContact C-CZ 3.43Å |
| 55 | L | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.8 | -33.5 | 171.9 | 179.5 | 65.1 | 0 | 0 | 0 | 111.7 | L36 L41 L44 K45 V58 I59 F83 L86 | L36-L55 HydrophobicContact CD1-CD2 4.38Å; L41-L55 HydrophobicContact CD1-CD2 3.84Å; L44-L55 HydrophobicContact CB-CD1 4.35Å; L44-L55 HydrophobicContact CB-CD2 3.88Å; L44-L55 HydrophobicContact CD1-CD1 4.41Å; K45-L55 HydrophobicContact CB-CD2 4.34Å; L55-V58 WeakPolarHBondContact O-CB 3.4Å; L55-V58 PolarHBondContact O-N 3.35Å; L55-V58 VanDerWaalsContact O-N 3.1Å; L55-I59 HydrophobicContact CD1-CG2 3.99Å; L55-I59 HydrophobicContact CG-CD1 4.3Å; L55-I59 HydrophobicContact CG-CG2 4.48Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 3.14Å; L55-I59 VanDerWaalsContact O-N 3.07Å; L55-F83 HydrophobicContact CB-CD1 4.36Å; L55-F83 HydrophobicContact CB-CE1 3.98Å; L55-F83 HydrophobicContact CD1-CD1 4.38Å; L55-L86 HydrophobicContact CD1-CD2 3.88Å |
| 56 | L | 98.4 | Very high | 97.4 | Very high | 14 Ų | 14 | 38 Ų | 38 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.6 | -176.9 | 60.9 | 0 | 0 | 0 | 111.2 | V11 R14 T54 V58 I59 Q60 | V11-L56 HydrophobicContact CG1-CB 4.04Å; V11-L56 HydrophobicContact CG1-CD2 4.2Å; R14-L56 HydrophobicContact CB-CD1 4.24Å; R14-L56 HydrophobicContact CB-CD2 3.83Å; T54-L56 PolarHBondContact O-N 2.96Å; T54-L56 PolarHBondContact OG1-N 3.48Å; L56-V58 PolarHBondContact O-N 2.82Å; L56-I59 PolarHBondContact O-N 2.92Å; L56-Q60 WeakPolarHBondContact O-CB 3.44Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 2.84Å |
| 57 | D | 98.5 | Very high | 97.3 | Very high | 14 Ų | 14 | 39 Ų | 39 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.9 | -29.7 | 175.7 | -56.9 | -66.8 | 0 | 0 | 0 | 111.8 | T54 P75 P144 K206 | T54-D57 PolarHBondContact N-OD2 3.06Å; T54-D57 PolarHBondContact O-N 2.75Å; T54-D57 PolarHBondContact OG1-N 3.11Å; T54-D57 PolarHBondContact OG1-OD2 2.99Å; D57-P75 HydrophobicContact CB-CB 3.79Å; D57-P75 HydrophobicContact CB-CG 4.1Å; D57-P144 HydrophobicContact CB-CB 3.99Å; D57-K206 IonicContact OD1-NZ 3.71Å; D57-K206 PolarHBondContact OD1-NZ 2.87Å |
| 58 | V | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69 | -47.2 | 176.5 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | T54 L55 L56 A72 Y73 P75 F83 L86 F87 | T54-V58 PolarHBondContact O-N 3.4Å; L55-V58 WeakPolarHBondContact O-CB 3.4Å; L55-V58 PolarHBondContact O-N 3.35Å; L55-V58 VanDerWaalsContact O-N 3.1Å; L56-V58 PolarHBondContact O-N 2.82Å; V58-A72 HydrophobicContact CG1-CB 3.98Å; V58-A72 VanDerWaalsContact O-CA 3.26Å; V58-A72 WeakPolarHBondContact O-CA 3.35Å; V58-Y73 WeakPolarHBondContact CA-O 3.29Å; V58-Y73 PolarHBondContact O-N 3.24Å; V58-P75 VanDerWaalsContact CG2-CD 3.49Å; V58-P75 HydrophobicContact CG2-CG 4.14Å; V58-F83 HydrophobicContact CG2-CD2 3.84Å; V58-F83 HydrophobicContact CG2-CE2 4.12Å; V58-F83 HydrophobicContact CG2-CG 4.42Å; V58-L86 HydrophobicContact CG1-CD2 4.19Å; V58-F87 HydrophobicContact CB-CZ 4.42Å; V58-F87 HydrophobicContact CG1-CE1 4.19Å; V58-F87 HydrophobicContact CG1-CE2 3.97Å; V58-F87 HydrophobicContact CG1-CZ 3.52Å; V58-F87 HydrophobicContact CG2-CE2 4Å; V58-F87 HydrophobicContact CG2-CZ 4.01Å |
| 59 | I | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -99.8 | -13 | -167.3 | 69.5 | -177.9 | 0 | 0 | 0 | 114.1 | A18 V32 L36 L55 L56 S61 G62 V63 L86 | A18-I59 HydrophobicContact CB-CD1 3.79Å; A18-I59 HydrophobicContact CB-CG1 4.38Å; V32-I59 HydrophobicContact CG1-CB 4.26Å; V32-I59 HydrophobicContact CG1-CG2 3.94Å; V32-I59 HydrophobicContact CG2-CG2 4.45Å; L36-I59 HydrophobicContact CD2-CD1 3.92Å; L36-I59 HydrophobicContact CD2-CG2 4.33Å; L55-I59 HydrophobicContact CD1-CG2 3.99Å; L55-I59 HydrophobicContact CG-CD1 4.3Å; L55-I59 HydrophobicContact CG-CG2 4.48Å; L55-I59 WeakPolarHBondContact O-CG1 3.45Å; L55-I59 PolarHBondContact O-N 3.14Å; L55-I59 VanDerWaalsContact O-N 3.07Å; L56-I59 PolarHBondContact O-N 2.92Å; I59-S61 PolarHBondContact O-N 3.12Å; I59-G62 PolarHBondContact O-N 3.35Å; I59-V63 HydrophobicContact CD1-CG2 4.49Å; I59-V63 HydrophobicContact CG1-CG2 4.12Å; I59-V63 WeakPolarHBondContact O-CG2 3.42Å; I59-V63 PolarHBondContact O-N 3.16Å; I59-V63 VanDerWaalsContact O-N 3.11Å; I59-L86 HydrophobicContact CG2-CD2 3.95Å |
| 60 | Q | 97.9 | Very high | 97.2 | Very high | 20 Ų | 20 | 37.4 Ų | 37.4 | 9% | 0.093 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.2 | -36.4 | -170.8 | 54.8 | 176.1 | 49.8 | 0 | 0 | 113.9 | L56 V63 V64 A204 K206 | L56-Q60 WeakPolarHBondContact O-CB 3.44Å; L56-Q60 WeakPolarHBondContact O-CG 3.47Å; L56-Q60 PolarHBondContact O-N 2.84Å; Q60-V63 PolarHBondContact O-N 2.92Å; Q60-V64 WeakPolarHBondContact O-CG2 3.41Å; Q60-V64 PolarHBondContact O-N 2.81Å; Q60-V64 VanDerWaalsContact O-N 3.09Å; Q60-A204 WeakPolarHBondContact CG-O 3.21Å; Q60-A204 PolarHBondContact NE2-O 3.12Å; Q60-K206 VanDerWaalsContact OE1-CE 3.27Å |
| 61 | S | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -44.7 | 178.3 | -174.3 | 0 | 0 | 0 | 0 | 112.1 | I59 V63 V64 N65 F201 | I59-S61 PolarHBondContact O-N 3.12Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-V63 PolarHBondContact O-N 3.35Å; S61-V64 PolarHBondContact O-N 3.3Å; S61-N65 VanDerWaalsContact O-CB 3.28Å; S61-N65 WeakPolarHBondContact O-CB 3.44Å; S61-N65 PolarHBondContact O-N 2.99Å; S61-N65 PolarHBondContact O-ND2 3.37Å; S61-F201 WeakPolarHBondContact OG-CA 3.28Å; S61-F201 PolarHBondContact OG-O 3.1Å |
| 62 | G | 97.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.6 | -23.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114 | I59 N65 G71 | I59-G62 PolarHBondContact O-N 3.35Å; G62-N65 CarbonylContact O-C 3.58Å; G62-G71 PolarHBondContact N-O 3.2Å |
| 63 | V | 96.6 | Very high | 97.5 | Very high | 34 Ų | 34 | 22.3 Ų | 22.3 | 21% | 0.206 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -71.6 | -47.1 | 173.8 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | A18 A21 I22 I59 Q60 S61 | A18-V63 HydrophobicContact CB-CB 4.38Å; A18-V63 HydrophobicContact CB-CG1 4.1Å; A18-V63 HydrophobicContact CB-CG2 3.34Å; A21-V63 HydrophobicContact CB-CG1 4.4Å; I22-V63 HydrophobicContact CD1-CB 4.37Å; I22-V63 HydrophobicContact CD1-CG2 3.54Å; I22-V63 HydrophobicContact CG1-CG2 4.09Å; I59-V63 HydrophobicContact CD1-CG2 4.49Å; I59-V63 HydrophobicContact CG1-CG2 4.12Å; I59-V63 WeakPolarHBondContact O-CG2 3.42Å; I59-V63 PolarHBondContact O-N 3.16Å; I59-V63 VanDerWaalsContact O-N 3.11Å; Q60-V63 PolarHBondContact O-N 2.92Å; S61-V63 VanDerWaalsContact C-N 3.29Å; S61-V63 PolarHBondContact O-N 3.35Å |
| 64 | V | 97 | Very high | 97.5 | Very high | 102 Ų | 102 | 22.3 Ų | 22.3 | 62% | 0.618 | 13% | 0.13 | S | C | * | . | H | α-helix | trans | -72.1 | -38.6 | 179.7 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | Q60 S61 A204 | Q60-V64 WeakPolarHBondContact O-CG2 3.41Å; Q60-V64 PolarHBondContact O-N 2.81Å; Q60-V64 VanDerWaalsContact O-N 3.09Å; S61-V64 PolarHBondContact O-N 3.3Å; V64-A204 HydrophobicContact CB-CB 3.91Å; V64-A204 HydrophobicContact CG1-CB 4.09Å; V64-A204 HydrophobicContact CG2-CB 4.28Å |
| 65 | N | 97.2 | Very high | 97.6 | Very high | 10 Ų | 10 | 21.7 Ų | 21.7 | 5% | 0.053 | 13% | 0.126 | C | C | . | . | trans | -113.3 | 79.1 | -175.3 | -60.1 | -69.4 | 0 | 0 | 0 | 110.3 | S61 G62 D67 S68 R200 F201 A204 | S61-N65 VanDerWaalsContact O-CB 3.28Å; S61-N65 WeakPolarHBondContact O-CB 3.44Å; S61-N65 PolarHBondContact O-N 2.99Å; S61-N65 PolarHBondContact O-ND2 3.37Å; G62-N65 CarbonylContact O-C 3.58Å; N65-D67 PolarHBondContact O-N 3.19Å; N65-S68 WeakPolarHBondContact O-CB 3.35Å; N65-S68 PolarHBondContact O-N 2.93Å; N65-R200 VanDerWaalsContact CB-NH1 3.28Å; N65-R200 VanDerWaalsContact CG-NH1 3.32Å; N65-R200 PolarHBondContact ND2-O 2.88Å; N65-R200 WeakPolarHBondContact OD1-CD 3.46Å; N65-R200 WeakPolarHBondContact OD1-CG 3.45Å; N65-R200 PolarHBondContact OD1-NH1 3.13Å; N65-F201 HydrophobicContact CB-CD1 3.44Å; N65-F201 VanDerWaalsContact CB-CD1 3.44Å; N65-F201 HydrophobicContact CB-CE1 3.54Å; N65-A204 VanDerWaalsContact ND2-CB 3.25Å; N65-A204 WeakPolarHBondContact ND2-CB 3.24Å | ||
| 66 | L | 96.3 | Very high | 97.6 | Very high | 41 Ų | 41 | 21.8 Ų | 21.8 | 22% | 0.215 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.5 | -173.9 | -67.2 | 171.8 | 0 | 0 | 0 | 114 | I22 A25 C28 S68 | I22-L66 HydrophobicContact CG1-CD2 4.3Å; A25-L66 HydrophobicContact CB-CD1 3.68Å; A25-L66 HydrophobicContact CB-CD2 3.87Å; A25-L66 HydrophobicContact CB-CG 4.26Å; C28-L66 VanDerWaalsContact CA-O 3.24Å; C28-L66 WeakPolarHBondContact CA-O 3.49Å; C28-L66 HydrophobicContact CB-CB 4.14Å; C28-L66 HydrophobicContact CB-CD2 4.22Å; C28-L66 WeakPolarHBondContact CB-O 3.45Å; C28-L66 PolarHBondContact SG-O 2.97Å; L66-S68 VanDerWaalsContact C-N 3.33Å |
| 67 | D | 95.2 | Very high | 97.6 | Very high | 86 Ų | 86 | 22.5 Ų | 22.5 | 46% | 0.46 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | 5.1 | 177.6 | 68.7 | -36.9 | 0 | 0 | 0 | 114.2 | N65 R200 | N65-D67 PolarHBondContact O-N 3.19Å; D67-R200 IonicContact OD1-CZ 2.79Å; D67-R200 VanDerWaalsContact OD1-CZ 3.29Å; D67-R200 IonicContact OD1-NH1 3.61Å; D67-R200 PolarHBondContact OD1-NH1 3.24Å; D67-R200 IonicContact OD1-NH2 3.11Å; D67-R200 PolarHBondContact OD1-NH2 3.17Å; D67-R200 IonicContact OD2-CZ 2.67Å; D67-R200 IonicContact OD2-NH1 2.75Å; D67-R200 IonicContact OD2-NH2 3.3Å; D67-R200 PolarHBondContact OD2-NH2 3.05Å |
| 68 | S | 95.8 | Very high | 97.5 | Very high | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.063 | 14% | 0.141 | C | C | . | . | trans | -60.5 | 135.6 | 171.7 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | S30 N65 L66 V70 G71 | S30-S68 WeakPolarHBondContact CA-O 3.36Å; S30-S68 WeakPolarHBondContact CB-O 3.36Å; N65-S68 WeakPolarHBondContact O-CB 3.35Å; N65-S68 PolarHBondContact O-N 2.93Å; L66-S68 VanDerWaalsContact C-N 3.33Å; S68-V70 PolarHBondContact OG-N 3.04Å; S68-G71 VanDerWaalsContact OG-CA 3.24Å; S68-G71 WeakPolarHBondContact OG-CA 3.49Å; S68-G71 PolarHBondContact OG-N 3.38Å | ||
| 69 | S | 95.6 | Very high | 97.5 | Very high | 88 Ų | 88 | 24.4 Ų | 24.4 | 62% | 0.615 | 14% | 0.141 | S | C | * | . | S | Bend | trans | -69.3 | -38.9 | 176.8 | 59.3 | 0 | 0 | 0 | 0 | 113.3 | S30 L31 | S30-S69 CarbonylContact C-O 3.53Å; S30-S69 WeakPolarHBondContact CA-O 3.33Å; L31-S69 PolarHBondContact N-O 3.33Å |
| 70 | V | 97.9 | Very high | 97.5 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -101.9 | -58.4 | 179.6 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | L31 V32 S68 A72 I90 Y94 P279 T280 | L31-V70 HydrophobicContact CD1-CG2 4.24Å; L31-V70 PolarHBondContact N-O 2.69Å; V32-V70 WeakPolarHBondContact CG2-O 3.32Å; V32-V70 PolarHBondContact N-O 2.74Å; S68-V70 PolarHBondContact OG-N 3.04Å; V70-A72 HydrophobicContact CG1-CB 4.43Å; V70-I90 HydrophobicContact CG1-CG2 3.73Å; V70-Y94 HydrophobicContact CG2-CD2 4.16Å; V70-Y94 HydrophobicContact CG2-CE2 4.42Å; V70-P279 HydrophobicContact CG1-CG 4Å; V70-T280 HydrophobicContact CG2-CG2 3.67Å |
| 71 | G | 97.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | 85.8 | 4.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V32 G62 S68 | V32-G71 VanDerWaalsContact CG2-C 3.44Å; V32-G71 WeakPolarHBondContact CG2-O 3.26Å; G62-G71 PolarHBondContact N-O 3.2Å; S68-G71 VanDerWaalsContact OG-CA 3.24Å; S68-G71 WeakPolarHBondContact OG-CA 3.49Å; S68-G71 PolarHBondContact OG-N 3.38Å | ||
| 72 | A | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 28.5 Ų | 28.5 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | trans | -127.5 | 140.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V32 V58 V70 F87 I90 P279 | V32-A72 HydrophobicContact CG2-CB 3.5Å; V32-A72 VanDerWaalsContact CG2-CB 3.5Å; V58-A72 HydrophobicContact CG1-CB 3.98Å; V58-A72 VanDerWaalsContact O-CA 3.26Å; V58-A72 WeakPolarHBondContact O-CA 3.35Å; V70-A72 HydrophobicContact CG1-CB 4.43Å; A72-F87 HydrophobicContact CB-CE1 4.21Å; A72-I90 HydrophobicContact CB-CD1 4.09Å; A72-P279 WeakPolarHBondContact O-CD 3.13Å; A72-P279 WeakPolarHBondContact O-CG 3.19Å | ||
| 73 | Y | 98.7 | Very high | 97.6 | Very high | 26 Ų | 26 | 28.5 Ų | 28.5 | 10% | 0.102 | 17% | 0.166 | C | C | . | . | trans | -131.9 | 151.5 | 168.8 | -68 | -91.3 | 0 | 0 | 0 | 110 | V58 L202 A205 F277 C278 | V58-Y73 WeakPolarHBondContact CA-O 3.29Å; V58-Y73 PolarHBondContact O-N 3.24Å; Y73-L202 HydrophobicContact CE1-CD2 3.97Å; Y73-A205 HydrophobicContact CD2-CB 3.55Å; Y73-A205 HydrophobicContact CE2-CB 3.93Å; Y73-A205 HydrophobicContact CG-CB 3.88Å; Y73-F277 VanDerWaalsContact CB-CE2 3.48Å; Y73-F277 AromaticContact CD1-CD1 3.63Å; Y73-F277 HydrophobicContact CD1-CD1 3.63Å; Y73-F277 HydrophobicContact CD1-CD2 4.38Å; Y73-F277 AromaticContact CD1-CE1 3.43Å; Y73-F277 HydrophobicContact CD1-CE1 3.43Å; Y73-F277 VanDerWaalsContact CD1-CE1 3.43Å; Y73-F277 HydrophobicContact CD1-CE2 4.2Å; Y73-F277 HydrophobicContact CD1-CG 4.13Å; Y73-F277 AromaticContact CD1-CZ 3.75Å; Y73-F277 HydrophobicContact CD1-CZ 3.75Å; Y73-F277 HydrophobicContact CE1-CD1 4.17Å; Y73-F277 AromaticContact CE1-CE1 3.96Å; Y73-F277 HydrophobicContact CE1-CE1 3.96Å; Y73-F277 HydrophobicContact CG-CD1 4.46Å; Y73-F277 AromaticContact CG-CE1 3.92Å; Y73-F277 HydrophobicContact CG-CE1 3.92Å; Y73-F277 HydrophobicContact CG-CE2 4.13Å; Y73-F277 AromaticContact CG-CZ 3.76Å; Y73-F277 HydrophobicContact CG-CZ 3.76Å; Y73-C278 HydrophobicContact CD1-CB 3.98Å; Y73-C278 HydrophobicContact CE1-CB 3.87Å | ||
| 74 | A | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -84.9 | 132.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | A79 Y80 F87 F142 F277 | A74-A79 HydrophobicContact CB-CB 4.2Å; A74-Y80 HydrophobicContact CB-CD2 4.2Å; A74-Y80 HydrophobicContact CB-CE1 4.38Å; A74-Y80 HydrophobicContact CB-CE2 3.55Å; A74-F87 HydrophobicContact CB-CZ 4.14Å; A74-F142 HydrophobicContact CB-CD2 3.75Å; A74-F142 HydrophobicContact CB-CE2 3.76Å; A74-F142 WeakPolarHBondContact O-CB 3.47Å; A74-F142 WeakPolarHBondContact O-CD2 3.18Å; A74-F277 PolarHBondContact N-O 3.49Å; A74-F277 WeakPolarHBondContact O-CD2 3.46Å; A74-F277 WeakPolarHBondContact O-CE2 3.25Å | ||
| 75 | P | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -76.9 | -22 | 172.3 | 27.7 | -36.3 | 0 | 0 | 0 | 114.1 | D57 V58 A79 F142 P144 L145 | D57-P75 HydrophobicContact CB-CB 3.79Å; D57-P75 HydrophobicContact CB-CG 4.1Å; V58-P75 VanDerWaalsContact CG2-CD 3.49Å; V58-P75 HydrophobicContact CG2-CG 4.14Å; P75-A79 HydrophobicContact CG-CB 3.88Å; P75-F142 WeakPolarHBondContact O-CA 3.42Å; P75-F142 WeakPolarHBondContact O-CB 3.48Å; P75-F142 PolarHBondContact O-N 2.95Å; P75-P144 HydrophobicContact CB-CB 4Å; P75-P144 HydrophobicContact CB-CG 4.11Å; P75-L145 HydrophobicContact CB-CD1 4.01Å; P75-L145 HydrophobicContact CB-CG 3.98Å |
| 76 | D | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -161.8 | 167.1 | 174.1 | 60 | 72.1 | 0 | 0 | 0 | 110.1 | T49 M51 Q78 A79 P141 L145 | T49-D76 WeakPolarHBondContact CB-OD2 3.39Å; T49-D76 WeakPolarHBondContact CG2-OD1 3.46Å; T49-D76 VanDerWaalsContact CG2-OD2 3.28Å; T49-D76 WeakPolarHBondContact CG2-OD2 3.15Å; T49-D76 PolarHBondContact OG1-OD2 2.83Å; M51-D76 HydrophobicContact CB-CB 4.4Å; M51-D76 HydrophobicContact SD-CB 3.9Å; D76-Q78 VanDerWaalsContact C-N 3.25Å; D76-Q78 PolarHBondContact O-N 3.07Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.43Å; D76-Q78 VanDerWaalsContact OD1-CB 3.25Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.32Å; D76-Q78 PolarHBondContact OD1-N 3.43Å; D76-A79 WeakPolarHBondContact O-CB 3.3Å; D76-A79 PolarHBondContact O-N 3.05Å; D76-A79 PolarHBondContact OD1-N 3.38Å; D76-P141 HydrophobicContact CB-CB 3.92Å; D76-L145 HydrophobicContact CB-CD1 4.27Å |
| 77 | P | 98.3 | Very high | 97.9 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 19% | 0.188 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -35.1 | 178.4 | -33.4 | 39.1 | 0 | 0 | 0 | 115.3 | A79 T136 F142 T267 V275 | P77-A79 PolarHBondContact O-N 3.39Å; P77-T136 HydrophobicContact CG-CG2 4.43Å; P77-F142 HydrophobicContact CG-CE1 4.48Å; P77-F142 HydrophobicContact CG-CE2 4.11Å; P77-F142 HydrophobicContact CG-CZ 3.88Å; P77-T267 HydrophobicContact CB-CG2 3.87Å; P77-T267 HydrophobicContact CG-CG2 3.92Å; P77-V275 HydrophobicContact CB-CG2 3.91Å; P77-V275 HydrophobicContact CG-CG2 4.21Å |
| 78 | Q | 98 | Very high | 98 | Very high | 54 Ų | 54 | 23 Ų | 23 | 25% | 0.252 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -21.2 | -178.7 | -167.5 | -174.3 | 24.1 | 0 | 0 | 111.8 | T49 R50 D76 Y80 T81 T82 | T49-Q78 HydrophobicContact CG2-CB 4.34Å; R50-Q78 VanDerWaalsContact NE-NE2 3.11Å; D76-Q78 VanDerWaalsContact C-N 3.25Å; D76-Q78 PolarHBondContact O-N 3.07Å; D76-Q78 WeakPolarHBondContact OD1-CA 3.43Å; D76-Q78 VanDerWaalsContact OD1-CB 3.25Å; D76-Q78 WeakPolarHBondContact OD1-CB 3.32Å; D76-Q78 PolarHBondContact OD1-N 3.43Å; Q78-Y80 PolarHBondContact O-N 2.93Å; Q78-T81 WeakPolarHBondContact O-CA 3.47Å; Q78-T81 PolarHBondContact O-N 2.99Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 PolarHBondContact O-OG1 3.43Å |
| 79 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.2 | -37 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T49 A74 P75 D76 P77 T81 T82 F83 F87 | T49-A79 HydrophobicContact CG2-CB 4.15Å; A74-A79 HydrophobicContact CB-CB 4.2Å; P75-A79 HydrophobicContact CG-CB 3.88Å; D76-A79 WeakPolarHBondContact O-CB 3.3Å; D76-A79 PolarHBondContact O-N 3.05Å; D76-A79 PolarHBondContact OD1-N 3.38Å; P77-A79 PolarHBondContact O-N 3.39Å; A79-T81 PolarHBondContact O-N 2.82Å; A79-T82 PolarHBondContact O-N 3.44Å; A79-F83 HydrophobicContact CB-CD2 3.97Å; A79-F83 HydrophobicContact CB-CE2 4.27Å; A79-F83 WeakPolarHBondContact O-CD2 3.37Å; A79-F83 PolarHBondContact O-N 3.47Å; A79-F87 HydrophobicContact CB-CE2 4.18Å |
| 80 | Y | 98.6 | Very high | 98.3 | Very high | 6 Ų | 6 | 19.8 Ų | 19.8 | 2% | 0.024 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.1 | -31.3 | 175.1 | -73.2 | -66.3 | 0 | 0 | 0 | 113.3 | A74 Q78 R84 F87 I91 F142 L272 V275 T276 P279 L282 | A74-Y80 HydrophobicContact CB-CD2 4.2Å; A74-Y80 HydrophobicContact CB-CE1 4.38Å; A74-Y80 HydrophobicContact CB-CE2 3.55Å; Q78-Y80 PolarHBondContact O-N 2.93Å; Y80-R84 VanDerWaalsContact O-CA 3.31Å; Y80-R84 WeakPolarHBondContact O-CA 3.31Å; Y80-R84 VanDerWaalsContact O-CB 3.31Å; Y80-R84 WeakPolarHBondContact O-CB 3.46Å; Y80-R84 PolarHBondContact O-N 2.89Å; Y80-F87 HydrophobicContact CD1-CB 4.1Å; Y80-F87 AromaticContact CD1-CD1 3.9Å; Y80-F87 HydrophobicContact CD1-CD1 3.9Å; Y80-F87 HydrophobicContact CD1-CD2 4.07Å; Y80-F87 HydrophobicContact CD1-CE1 4.31Å; Y80-F87 HydrophobicContact CD1-CE2 4.46Å; Y80-F87 AromaticContact CD1-CG 3.77Å; Y80-F87 HydrophobicContact CD1-CG 3.77Å; Y80-F87 AromaticContact CE1-CD1 3.72Å; Y80-F87 HydrophobicContact CE1-CD1 3.72Å; Y80-F87 AromaticContact CE1-CE1 3.88Å; Y80-F87 HydrophobicContact CE1-CE1 3.88Å; Y80-F87 HydrophobicContact CE1-CG 4.1Å; Y80-F87 HydrophobicContact CE1-CZ 4.38Å; Y80-I91 HydrophobicContact CD1-CD1 4.12Å; Y80-I91 HydrophobicContact CE1-CD1 4.29Å; Y80-F142 HydrophobicContact CE2-CE2 4.3Å; Y80-L272 HydrophobicContact CD1-CD1 4.02Å; Y80-L272 HydrophobicContact CD2-CD1 4.46Å; Y80-L272 HydrophobicContact CG-CD1 3.78Å; Y80-V275 HydrophobicContact CD2-CB 4.26Å; Y80-V275 HydrophobicContact CD2-CG1 4.19Å; Y80-V275 HydrophobicContact CE2-CB 4.18Å; Y80-V275 HydrophobicContact CE2-CG1 4.46Å; Y80-T276 PolarHBondContact OH-O 3.28Å; Y80-P279 HydrophobicContact CE1-CB 4.09Å; Y80-P279 WeakPolarHBondContact OH-CA 3.42Å; Y80-L282 HydrophobicContact CD1-CD1 4.36Å; Y80-L282 HydrophobicContact CE1-CD1 3.78Å; Y80-L282 HydrophobicContact CE1-CD2 4.32Å; Y80-L282 HydrophobicContact CE2-CD2 3.95Å |
| 81 | T | 97.8 | Very high | 98.3 | Very high | 81 Ų | 81 | 19.4 Ų | 19.4 | 50% | 0.497 | 10% | 0.098 | S | C | . | . | H | α-helix | trans | -87.2 | -45.5 | 174.3 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | Q78 A79 F83 R84 | Q78-T81 WeakPolarHBondContact O-CA 3.47Å; Q78-T81 PolarHBondContact O-N 2.99Å; A79-T81 PolarHBondContact O-N 2.82Å; T81-F83 VanDerWaalsContact C-N 3.31Å; T81-F83 PolarHBondContact O-N 3.47Å; T81-R84 WeakPolarHBondContact O-CB 3.21Å; T81-R84 WeakPolarHBondContact O-CG 3.28Å; T81-R84 PolarHBondContact O-N 3.37Å |
| 82 | T | 98 | Very high | 98.4 | Very high | 20 Ų | 20 | 23.4 Ų | 23.4 | 12% | 0.123 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.3 | -37.2 | -176.2 | -63.1 | 0 | 0 | 0 | 0 | 112.3 | R47 T49 Q78 A79 | R47-T82 HydrophobicContact CB-CG2 3.92Å; R47-T82 WeakPolarHBondContact CD-O 3.29Å; R47-T82 PolarHBondContact NH1-O 2.87Å; T49-T82 HydrophobicContact CG2-CG2 4.26Å; Q78-T82 PolarHBondContact O-N 3.33Å; Q78-T82 PolarHBondContact O-OG1 3.43Å; A79-T82 PolarHBondContact O-N 3.44Å |
| 83 | F | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 27.4 | -179.8 | -50.3 | -73 | 0 | 0 | 0 | 111.8 | L44 R47 T49 T54 L55 V58 A79 T81 E85 L86 F87 | L44-F83 HydrophobicContact CB-CD1 4.31Å; L44-F83 HydrophobicContact CD2-CD1 4.38Å; R47-F83 HydrophobicContact CB-CE1 3.89Å; T49-F83 HydrophobicContact CG2-CE2 4.02Å; T54-F83 VanDerWaalsContact C-CZ 3.43Å; L55-F83 HydrophobicContact CB-CD1 4.36Å; L55-F83 HydrophobicContact CB-CE1 3.98Å; L55-F83 HydrophobicContact CD1-CD1 4.38Å; V58-F83 HydrophobicContact CG2-CD2 3.84Å; V58-F83 HydrophobicContact CG2-CE2 4.12Å; V58-F83 HydrophobicContact CG2-CG 4.42Å; A79-F83 HydrophobicContact CB-CD2 3.97Å; A79-F83 HydrophobicContact CB-CE2 4.27Å; A79-F83 WeakPolarHBondContact O-CD2 3.37Å; A79-F83 PolarHBondContact O-N 3.47Å; T81-F83 VanDerWaalsContact C-N 3.31Å; T81-F83 PolarHBondContact O-N 3.47Å; F83-E85 PolarHBondContact O-N 3.42Å; F83-E85 VanDerWaalsContact O-N 3.08Å; F83-L86 PolarHBondContact O-N 3.19Å; F83-F87 HydrophobicContact CB-CD2 3.93Å; F83-F87 HydrophobicContact CB-CE2 4.07Å; F83-F87 HydrophobicContact CD2-CE2 4.48Å; F83-F87 PolarHBondContact O-N 2.78Å |
| 84 | R | 97.8 | Very high | 98.3 | Very high | 113 Ų | 113 | 29.8 Ų | 29.8 | 43% | 0.426 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -53 | -32.6 | -177.7 | 67.5 | -177.2 | -179.4 | 172.8 | -0.2 | 113.6 | Y80 T81 L86 F87 D88 R99 | Y80-R84 VanDerWaalsContact O-CA 3.31Å; Y80-R84 WeakPolarHBondContact O-CA 3.31Å; Y80-R84 VanDerWaalsContact O-CB 3.31Å; Y80-R84 WeakPolarHBondContact O-CB 3.46Å; Y80-R84 PolarHBondContact O-N 2.89Å; T81-R84 WeakPolarHBondContact O-CB 3.21Å; T81-R84 WeakPolarHBondContact O-CG 3.28Å; T81-R84 PolarHBondContact O-N 3.37Å; R84-L86 PolarHBondContact O-N 2.82Å; R84-F87 PolarHBondContact O-N 2.84Å; R84-D88 WeakPolarHBondContact O-CB 3.45Å; R84-D88 PolarHBondContact O-N 3.06Å; R84-R99 VanDerWaalsContact CZ-NH2 3.34Å |
| 85 | E | 97.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 31.4 Ų | 31.4 | 15% | 0.15 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.8 | -26.4 | 177.3 | -66.9 | 96.7 | 140.1 | 0 | 0 | 113.3 | M40 K43 L44 R47 F83 P89 | M40-E85 HydrophobicContact CE-CB 4.4Å; M40-E85 WeakPolarHBondContact CE-O 3.47Å; M40-E85 HydrophobicContact CG-CB 4.47Å; M40-E85 HydrophobicContact SD-CB 4.47Å; K43-E85 WeakPolarHBondContact CE-OE1 3.48Å; K43-E85 IonicContact NZ-OE1 2.75Å; K43-E85 PolarHBondContact NZ-OE1 2.87Å; L44-E85 HydrophobicContact CD1-CB 4.49Å; L44-E85 HydrophobicContact CD2-CB 4.47Å; R47-E85 IonicContact CZ-OE1 2.72Å; R47-E85 IonicContact CZ-OE2 3.41Å; R47-E85 VanDerWaalsContact NH1-CD 3.32Å; R47-E85 IonicContact NH1-OE1 2.79Å; R47-E85 PolarHBondContact NH1-OE1 3.15Å; R47-E85 IonicContact NH1-OE2 3.44Å; R47-E85 PolarHBondContact NH1-OE2 3.34Å; R47-E85 IonicContact NH2-OE1 2.57Å; R47-E85 PolarHBondContact NH2-OE1 2.77Å; R47-E85 IonicContact NH2-OE2 2.76Å; F83-E85 PolarHBondContact O-N 3.42Å; F83-E85 VanDerWaalsContact O-N 3.08Å; E85-P89 WeakPolarHBondContact O-CD 3.06Å; E85-P89 WeakPolarHBondContact O-CG 3.27Å |
| 86 | L | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -93 | -44.8 | 172.1 | -180 | 60.9 | 0 | 0 | 0 | 111.8 | L36 M40 L44 L55 V58 I59 F83 R84 P89 I90 | L36-L86 HydrophobicContact CB-CD1 3.94Å; L36-L86 HydrophobicContact CD1-CD2 4.45Å; M40-L86 HydrophobicContact SD-CB 3.74Å; M40-L86 HydrophobicContact SD-CD1 3.95Å; M40-L86 HydrophobicContact SD-CG 4.44Å; L44-L86 HydrophobicContact CD1-CB 3.85Å; L55-L86 HydrophobicContact CD1-CD2 3.88Å; V58-L86 HydrophobicContact CG1-CD2 4.19Å; I59-L86 HydrophobicContact CG2-CD2 3.95Å; F83-L86 PolarHBondContact O-N 3.19Å; R84-L86 PolarHBondContact O-N 2.82Å; L86-P89 WeakPolarHBondContact O-CD 3.49Å; L86-P89 WeakPolarHBondContact O-CG 3.41Å; L86-I90 HydrophobicContact CD1-CD1 3.87Å; L86-I90 HydrophobicContact CG-CD1 3.92Å; L86-I90 WeakPolarHBondContact O-CD1 3.27Å; L86-I90 VanDerWaalsContact O-CG1 3.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å |
| 87 | F | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -70.4 | -41.9 | -175.9 | -80.8 | -63.5 | 0 | 0 | 0 | 113.7 | V58 A72 A74 A79 Y80 F83 R84 I90 I91 P279 | V58-F87 HydrophobicContact CB-CZ 4.42Å; V58-F87 HydrophobicContact CG1-CE1 4.19Å; V58-F87 HydrophobicContact CG1-CE2 3.97Å; V58-F87 HydrophobicContact CG1-CZ 3.52Å; V58-F87 HydrophobicContact CG2-CE2 4Å; V58-F87 HydrophobicContact CG2-CZ 4.01Å; A72-F87 HydrophobicContact CB-CE1 4.21Å; A74-F87 HydrophobicContact CB-CZ 4.14Å; A79-F87 HydrophobicContact CB-CE2 4.18Å; Y80-F87 HydrophobicContact CD1-CB 4.1Å; Y80-F87 AromaticContact CD1-CD1 3.9Å; Y80-F87 HydrophobicContact CD1-CD1 3.9Å; Y80-F87 HydrophobicContact CD1-CD2 4.07Å; Y80-F87 HydrophobicContact CD1-CE1 4.31Å; Y80-F87 HydrophobicContact CD1-CE2 4.46Å; Y80-F87 AromaticContact CD1-CG 3.77Å; Y80-F87 HydrophobicContact CD1-CG 3.77Å; Y80-F87 AromaticContact CE1-CD1 3.72Å; Y80-F87 HydrophobicContact CE1-CD1 3.72Å; Y80-F87 AromaticContact CE1-CE1 3.88Å; Y80-F87 HydrophobicContact CE1-CE1 3.88Å; Y80-F87 HydrophobicContact CE1-CG 4.1Å; Y80-F87 HydrophobicContact CE1-CZ 4.38Å; F83-F87 HydrophobicContact CB-CD2 3.93Å; F83-F87 HydrophobicContact CB-CE2 4.07Å; F83-F87 HydrophobicContact CD2-CE2 4.48Å; F83-F87 PolarHBondContact O-N 2.78Å; R84-F87 PolarHBondContact O-N 2.84Å; F87-I90 PolarHBondContact O-N 2.84Å; F87-I91 HydrophobicContact CB-CD1 4.16Å; F87-I91 WeakPolarHBondContact O-CB 3.28Å; F87-I91 WeakPolarHBondContact O-CD1 3.27Å; F87-I91 WeakPolarHBondContact O-CG1 3.38Å; F87-I91 PolarHBondContact O-N 2.96Å; F87-P279 HydrophobicContact CD1-CB 4.28Å; F87-P279 HydrophobicContact CE1-CB 4.36Å; F87-P279 HydrophobicContact CE1-CG 4.39Å |
| 88 | D | 98.4 | Very high | 98 | Very high | 12 Ų | 12 | 38.3 Ų | 38.3 | 6% | 0.064 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55 | -52.1 | -178.8 | -78.6 | -27.4 | 0 | 0 | 0 | 112.4 | R84 I90 I91 E92 R99 R271 | R84-D88 WeakPolarHBondContact O-CB 3.45Å; R84-D88 PolarHBondContact O-N 3.06Å; D88-I90 VanDerWaalsContact C-N 3.34Å; D88-I90 PolarHBondContact O-N 3.07Å; D88-I91 PolarHBondContact O-N 3.23Å; D88-E92 WeakPolarHBondContact O-CB 3.43Å; D88-E92 PolarHBondContact O-N 2.87Å; D88-R99 IonicContact OD2-CZ 2.76Å; D88-R99 IonicContact OD2-NE 3.18Å; D88-R99 PolarHBondContact OD2-NE 2.84Å; D88-R271 IonicContact OD1-CZ 2.96Å; D88-R271 VanDerWaalsContact OD1-CZ 3.31Å; D88-R271 IonicContact OD1-NH1 3.57Å; D88-R271 PolarHBondContact OD1-NH1 2.86Å; D88-R271 IonicContact OD1-NH2 3.63Å; D88-R271 PolarHBondContact OD1-NH2 3.39Å; D88-R271 IonicContact OD2-NH1 3.71Å |
| 89 | P | 98.4 | Very high | 97.9 | Very high | 29 Ų | 29 | 41.2 Ų | 41.2 | 19% | 0.188 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.2 | -31.1 | 179 | 26.1 | -34.9 | 0 | 0 | 0 | 113.4 | Y35 E85 L86 D93 | Y35-P89 HydrophobicContact CD1-CB 3.56Å; Y35-P89 HydrophobicContact CD1-CG 4.04Å; Y35-P89 HydrophobicContact CD2-CB 4.15Å; Y35-P89 HydrophobicContact CE1-CB 3.69Å; Y35-P89 HydrophobicContact CE2-CB 4.27Å; Y35-P89 WeakPolarHBondContact CE2-O 3.21Å; Y35-P89 HydrophobicContact CG-CB 3.8Å; Y35-P89 HydrophobicContact CG-CG 3.96Å; E85-P89 WeakPolarHBondContact O-CD 3.06Å; E85-P89 WeakPolarHBondContact O-CG 3.27Å; L86-P89 WeakPolarHBondContact O-CD 3.49Å; L86-P89 WeakPolarHBondContact O-CG 3.41Å; P89-D93 WeakPolarHBondContact O-CB 3.46Å; P89-D93 PolarHBondContact O-N 2.77Å |
| 90 | I | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 48.2 Ų | 48.2 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -45.1 | 172.6 | -70.3 | 174.7 | 0 | 0 | 0 | 110.6 | L31 V32 Y35 V70 A72 L86 F87 D88 D93 Y94 | L31-I90 HydrophobicContact CB-CG1 3.96Å; L31-I90 HydrophobicContact CB-CG2 4.3Å; L31-I90 HydrophobicContact CD1-CG2 3.96Å; V32-I90 HydrophobicContact CG2-CD1 4.01Å; Y35-I90 HydrophobicContact CD2-CG1 3.88Å; V70-I90 HydrophobicContact CG1-CG2 3.73Å; A72-I90 HydrophobicContact CB-CD1 4.09Å; L86-I90 HydrophobicContact CD1-CD1 3.87Å; L86-I90 HydrophobicContact CG-CD1 3.92Å; L86-I90 WeakPolarHBondContact O-CD1 3.27Å; L86-I90 VanDerWaalsContact O-CG1 3.28Å; L86-I90 WeakPolarHBondContact O-CG1 3.48Å; F87-I90 PolarHBondContact O-N 2.84Å; D88-I90 VanDerWaalsContact C-N 3.34Å; D88-I90 PolarHBondContact O-N 3.07Å; I90-D93 PolarHBondContact O-N 2.84Å; I90-Y94 WeakPolarHBondContact O-CB 3.48Å; I90-Y94 PolarHBondContact O-N 3.43Å |
| 91 | I | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 179.6 | -70.6 | 164.5 | 0 | 0 | 0 | 110.2 | Y80 F87 D88 H95 F97 L272 P279 L282 M337 | Y80-I91 HydrophobicContact CD1-CD1 4.12Å; Y80-I91 HydrophobicContact CE1-CD1 4.29Å; F87-I91 HydrophobicContact CB-CD1 4.16Å; F87-I91 WeakPolarHBondContact O-CB 3.28Å; F87-I91 WeakPolarHBondContact O-CD1 3.27Å; F87-I91 WeakPolarHBondContact O-CG1 3.38Å; F87-I91 PolarHBondContact O-N 2.96Å; D88-I91 PolarHBondContact O-N 3.23Å; I91-H95 WeakPolarHBondContact O-CA 3.24Å; I91-H95 VanDerWaalsContact O-CB 3.29Å; I91-H95 WeakPolarHBondContact O-CB 3.1Å; I91-H95 PolarHBondContact O-N 3.48Å; I91-F97 HydrophobicContact CG2-CB 4.11Å; I91-F97 HydrophobicContact CG2-CD1 4.2Å; I91-L272 HydrophobicContact CD1-CD1 4.46Å; I91-L272 HydrophobicContact CD1-CD2 4.12Å; I91-P279 HydrophobicContact CG1-CB 4.48Å; I91-L282 HydrophobicContact CD1-CD1 3.67Å; I91-L282 HydrophobicContact CG1-CD1 3.99Å; I91-M337 HydrophobicContact CG2-CE 4.21Å; I91-M337 HydrophobicContact CG2-SD 3.87Å |
| 92 | E | 98.4 | Very high | 97.7 | Very high | 84 Ų | 84 | 54.5 Ų | 54.5 | 39% | 0.393 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65 | -43.1 | 177 | -173.7 | 169.4 | 173.5 | 0 | 0 | 111.9 | D88 G96 F97 K98 | D88-E92 WeakPolarHBondContact O-CB 3.43Å; D88-E92 PolarHBondContact O-N 2.87Å; E92-G96 WeakPolarHBondContact O-CA 3.49Å; E92-G96 PolarHBondContact O-N 3.37Å; E92-F97 WeakPolarHBondContact CA-O 3.29Å; E92-K98 HydrophobicContact CG-CG 4.37Å |
| 93 | D | 98.1 | Very high | 97.8 | Very high | 67 Ų | 67 | 54 Ų | 54 | 36% | 0.358 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 177.8 | -160.9 | -1 | 0 | 0 | 0 | 112 | L31 K34 Y35 P89 I90 | L31-D93 HydrophobicContact CD1-CB 4.33Å; L31-D93 HydrophobicContact CD2-CB 4.36Å; L31-D93 WeakPolarHBondContact CD2-OD2 3.29Å; K34-D93 IonicContact NZ-OD1 2.78Å; K34-D93 IonicContact NZ-OD2 2.69Å; K34-D93 PolarHBondContact NZ-OD2 2.91Å; Y35-D93 HydrophobicContact CE2-CB 3.83Å; Y35-D93 WeakPolarHBondContact CE2-OD2 3.23Å; Y35-D93 WeakPolarHBondContact OH-CB 3.42Å; Y35-D93 PolarHBondContact OH-OD2 3.5Å; P89-D93 WeakPolarHBondContact O-CB 3.46Å; P89-D93 PolarHBondContact O-N 2.77Å; I90-D93 PolarHBondContact O-N 2.84Å |
| 94 | Y | 97 | Very high | 97.8 | Very high | 94 Ų | 94 | 56 Ų | 56 | 37% | 0.369 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -77.4 | -42.9 | -177.1 | -170.4 | -84.8 | 0 | 0 | 0 | 113.3 | V70 I90 T280 | V70-Y94 HydrophobicContact CG2-CD2 4.16Å; V70-Y94 HydrophobicContact CG2-CE2 4.42Å; I90-Y94 WeakPolarHBondContact O-CB 3.48Å; I90-Y94 PolarHBondContact O-N 3.43Å; Y94-T280 HydrophobicContact CD1-CG2 4.26Å; Y94-T280 HydrophobicContact CD2-CG2 3.99Å; Y94-T280 HydrophobicContact CE1-CG2 3.95Å; Y94-T280 HydrophobicContact CE2-CG2 3.65Å; Y94-T280 HydrophobicContact CG-CG2 4.28Å |
| 95 | H | 96.6 | Very high | 97.8 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 16% | 0.157 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -106.1 | -10.1 | -171.7 | -64.3 | -79.7 | 0 | 0 | 0 | 114.4 | I91 F97 P279 T280 M337 | I91-H95 WeakPolarHBondContact O-CA 3.24Å; I91-H95 VanDerWaalsContact O-CB 3.29Å; I91-H95 WeakPolarHBondContact O-CB 3.1Å; I91-H95 PolarHBondContact O-N 3.48Å; H95-F97 HydrophobicContact CB-CB 3.91Å; H95-F97 PolarHBondContact O-N 2.82Å; H95-P279 PolarHBondContact NE2-O 2.85Å; H95-T280 PolarHBondContact CE1-O 3.26Å; H95-M337 HydrophobicContact CB-CG 4.47Å; H95-M337 HydrophobicContact CB-SD 4.04Å; H95-M337 VanDerWaalsContact CD2-SD 3.59Å |
| 96 | G | 96.8 | Very high | 97.8 | Very high | 53 Ų | 53 | 58 Ų | 58 | 55% | 0.546 | 29% | 0.292 | S | S | . | . | trans | 65.4 | 17 | -166.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E92 | E92-G96 WeakPolarHBondContact O-CA 3.49Å; E92-G96 PolarHBondContact O-N 3.37Å | ||
| 97 | F | 98 | Very high | 97.8 | Very high | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.026 | 31% | 0.309 | C | S | . | . | trans | -97.8 | 107.1 | -173.3 | -169.1 | -93.5 | 0 | 0 | 0 | 110.9 | I91 E92 H95 D101 R271 L272 M337 | I91-F97 HydrophobicContact CG2-CB 4.11Å; I91-F97 HydrophobicContact CG2-CD1 4.2Å; E92-F97 WeakPolarHBondContact CA-O 3.29Å; H95-F97 HydrophobicContact CB-CB 3.91Å; H95-F97 PolarHBondContact O-N 2.82Å; F97-D101 HydrophobicContact CD1-CB 4.21Å; F97-D101 HydrophobicContact CD2-CB 3.83Å; F97-D101 HydrophobicContact CE1-CB 3.93Å; F97-D101 HydrophobicContact CE2-CB 3.52Å; F97-D101 HydrophobicContact CG-CB 4.17Å; F97-D101 VanDerWaalsContact CZ-C 3.48Å; F97-D101 HydrophobicContact CZ-CB 3.58Å; F97-D101 WeakPolarHBondContact CZ-O 3.44Å; F97-R271 HydrophobicContact CE1-CG 4.2Å; F97-R271 WeakPolarHBondContact CE1-O 3.39Å; F97-R271 WeakPolarHBondContact CZ-O 3.47Å; F97-L272 HydrophobicContact CE1-CD2 4.3Å; F97-M337 HydrophobicContact CB-CB 4.22Å; F97-M337 HydrophobicContact CB-CE 4.5Å; F97-M337 HydrophobicContact CB-SD 4.14Å; F97-M337 HydrophobicContact CD1-CE 3.58Å; F97-M337 HydrophobicContact CD1-SD 4.3Å; F97-M337 HydrophobicContact CD2-CB 3.65Å; F97-M337 HydrophobicContact CD2-CE 4.41Å; F97-M337 HydrophobicContact CE1-CE 3.78Å; F97-M337 HydrophobicContact CE2-CB 4.17Å; F97-M337 HydrophobicContact CG-CB 3.97Å; F97-M337 HydrophobicContact CG-CE 3.91Å; F97-M337 HydrophobicContact CG-SD 4.15Å; F97-M337 HydrophobicContact CZ-CE 4.28Å | ||
| 98 | K | 97.8 | Very high | 97.8 | Very high | 117 Ų | 117 | 61.4 Ų | 61.4 | 51% | 0.509 | 31% | 0.31 | S | S | . | . | trans | -77.7 | 168.9 | -169.2 | -58.9 | 179.7 | 178.7 | 174.2 | 0 | 112.6 | E92 N100 D101 R271 | E92-K98 HydrophobicContact CG-CG 4.37Å; K98-N100 PolarHBondContact O-N 2.93Å; K98-N100 VanDerWaalsContact O-N 3.16Å; K98-D101 WeakPolarHBondContact CB-OD2 3.32Å; K98-D101 PolarHBondContact N-OD2 2.93Å; K98-D101 PolarHBondContact O-N 3.38Å; K98-R271 PolarHBondContact O-NH2 2.82Å; K98-R271 VanDerWaalsContact O-NH2 3.1Å | ||
| 99 | R | 95.3 | Very high | 97.7 | Very high | 115 Ų | 115 | 60.9 Ų | 60.9 | 43% | 0.434 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -31.3 | -179.7 | -166.8 | 167.1 | -175.4 | 171.5 | 0.8 | 115.7 | R84 D88 R271 | R84-R99 VanDerWaalsContact CZ-NH2 3.34Å; D88-R99 IonicContact OD2-CZ 2.76Å; D88-R99 IonicContact OD2-NE 3.18Å; D88-R99 PolarHBondContact OD2-NE 2.84Å; R99-R271 VanDerWaalsContact C-CZ 3.44Å; R99-R271 VanDerWaalsContact CA-CZ 3.4Å; R99-R271 VanDerWaalsContact CA-NH2 3.29Å; R99-R271 WeakPolarHBondContact O-CD 3.11Å; R99-R271 PolarHBondContact O-NE 3.48Å; R99-R271 PolarHBondContact O-NH1 2.98Å |
| 100 | N | 96 | Very high | 97.6 | Very high | 146 Ų | 146 | 63.8 Ų | 63.8 | 78% | 0.781 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | -0.9 | -176.5 | -62.8 | -28.2 | 0 | 0 | 0 | 112.9 | K98 | K98-N100 PolarHBondContact O-N 2.93Å; K98-N100 VanDerWaalsContact O-N 3.16Å |
| 101 | D | 97.9 | Very high | 97.5 | Very high | 60 Ų | 60 | 72.6 Ų | 72.6 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | trans | -68.7 | 155.9 | 174.3 | -65.5 | -12.5 | 0 | 0 | 0 | 109.6 | F97 K98 R271 | F97-D101 HydrophobicContact CD1-CB 4.21Å; F97-D101 HydrophobicContact CD2-CB 3.83Å; F97-D101 HydrophobicContact CE1-CB 3.93Å; F97-D101 HydrophobicContact CE2-CB 3.52Å; F97-D101 HydrophobicContact CG-CB 4.17Å; F97-D101 VanDerWaalsContact CZ-C 3.48Å; F97-D101 HydrophobicContact CZ-CB 3.58Å; F97-D101 WeakPolarHBondContact CZ-O 3.44Å; K98-D101 WeakPolarHBondContact CB-OD2 3.32Å; K98-D101 PolarHBondContact N-OD2 2.93Å; K98-D101 PolarHBondContact O-N 3.38Å; D101-R271 WeakPolarHBondContact O-CG 3.41Å | ||
| 102 | K | 97.9 | Very high | 97.4 | Very high | 159 Ų | 159 | 76.6 Ų | 76.6 | 69% | 0.691 | 38% | 0.375 | S | S | * | . | trans | -128.7 | 148.6 | 178.6 | -68.8 | -172.2 | 176.2 | -173.5 | 0 | 111 | ||||
| 103 | Q | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 73.4 Ų | 73.4 | 4% | 0.042 | 36% | 0.36 | C | S | . | . | P | Polyproline II helix | trans | -80.5 | 126.3 | 171 | -177.4 | 66.1 | 19.4 | 0 | 0 | 108.8 | R268 R271 I339 | Q103-R268 PolarHBondContact O-NH2 2.8Å; Q103-R271 WeakPolarHBondContact CB-O 3.4Å; Q103-R271 PolarHBondContact N-O 3.18Å; Q103-I339 PolarHBondContact NE2-O 2.93Å |
| 104 | P | 98.4 | Very high | 97.3 | Very high | 44 Ų | 44 | 74.9 Ų | 74.9 | 29% | 0.286 | 38% | 0.376 | S | S | . | . | P | Polyproline II helix | trans | -63 | 157.1 | 172.4 | 28.7 | -36.2 | 0 | 0 | 0 | 111 | R268 T340 | P104-R268 VanDerWaalsContact C-NH2 3.3Å; P104-R268 PolarHBondContact O-NH2 2.85Å; P104-T340 HydrophobicContact CB-CG2 3.96Å; P104-T340 HydrophobicContact CG-CG2 3.8Å |
| 105 | D | 98.1 | Very high | 97.4 | Very high | 129 Ų | 129 | 74 Ų | 74 | 69% | 0.69 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 152.9 | 174.7 | -68.5 | -25.9 | 0 | 0 | 0 | 111.6 | D107 | D105-D107 PolarHBondContact O-N 3.34Š|
| 106 | E | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 27% | 0.266 | 37% | 0.368 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 124.7 | 179.2 | -174.2 | -173.6 | 70.7 | 0 | 0 | 109.8 | F108 R135 F274 E341 | E106-F108 VanDerWaalsContact CD-CE2 3.46Å; E106-F108 HydrophobicContact CG-CD2 4.06Å; E106-F108 HydrophobicContact CG-CE2 3.76Å; E106-F108 WeakPolarHBondContact OE2-CE2 3.47Å; E106-R135 IonicContact OE2-CZ 3.01Å; E106-R135 IonicContact OE2-NE 2.72Å; E106-R135 IonicContact OE2-NH2 3.44Å; E106-R135 PolarHBondContact OE2-NH2 2.7Å; E106-F274 HydrophobicContact CB-CE2 4.25Å; E106-F274 HydrophobicContact CB-CZ 4.46Å; E106-F274 HydrophobicContact CG-CE2 4.12Å; E106-F274 HydrophobicContact CG-CZ 4.39Å; E106-F274 WeakPolarHBondContact OE2-CE2 3.37Å; E106-F274 WeakPolarHBondContact OE2-CZ 3.41Å; E106-E341 WeakPolarHBondContact CA-OE2 3.34Å; E106-E341 HydrophobicContact CG-CG 4.48Å |
| 107 | D | 98.3 | Very high | 97.4 | Very high | 65 Ų | 65 | 73.9 Ų | 73.9 | 35% | 0.348 | 37% | 0.366 | S | S | . | . | trans | -149 | 107.7 | 178.5 | 179.9 | 23.1 | 0 | 0 | 0 | 110.9 | D105 G109 T340 E341 F342 | D105-D107 PolarHBondContact O-N 3.34Å; D107-G109 VanDerWaalsContact C-N 3.27Å; D107-G109 WeakPolarHBondContact OD1-CA 3.19Å; D107-G109 PolarHBondContact OD1-N 3.04Å; D107-T340 HydrophobicContact CB-CG2 3.97Å; D107-E341 PolarHBondContact N-OE2 3.39Å; D107-E341 PolarHBondContact O-N 2.93Å; D107-F342 WeakPolarHBondContact O-CB 3.38Å; D107-F342 PolarHBondContact O-N 3.26Å | ||
| 108 | F | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 76.6 Ų | 76.6 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | trans | -85.2 | 4.2 | 173.1 | -71.9 | -85.8 | 0 | 0 | 0 | 113.5 | E106 L250 L253 K254 V257 I286 E341 | E106-F108 VanDerWaalsContact CD-CE2 3.46Å; E106-F108 HydrophobicContact CG-CD2 4.06Å; E106-F108 HydrophobicContact CG-CE2 3.76Å; E106-F108 WeakPolarHBondContact OE2-CE2 3.47Å; F108-L250 HydrophobicContact CD1-CD1 3.77Å; F108-L250 HydrophobicContact CE1-CD1 4.44Å; F108-L253 HydrophobicContact CE1-CD2 4.33Å; F108-K254 HydrophobicContact CB-CB 3.85Å; F108-K254 HydrophobicContact CB-CD 3.97Å; F108-K254 HydrophobicContact CB-CG 3.54Å; F108-K254 HydrophobicContact CD1-CB 3.95Å; F108-K254 HydrophobicContact CD1-CG 4.34Å; F108-K254 HydrophobicContact CD2-CB 4.17Å; F108-K254 HydrophobicContact CD2-CG 3.7Å; F108-K254 HydrophobicContact CE2-CG 4.46Å; F108-K254 HydrophobicContact CG-CB 3.74Å; F108-K254 HydrophobicContact CG-CG 3.62Å; F108-V257 HydrophobicContact CE2-CB 4.39Å; F108-V257 HydrophobicContact CE2-CG1 4.12Å; F108-V257 HydrophobicContact CZ-CB 4.21Å; F108-V257 HydrophobicContact CZ-CG1 4.18Å; F108-V257 HydrophobicContact CZ-CG2 3.95Å; F108-I286 HydrophobicContact CE1-CD1 4.21Å; F108-E341 HydrophobicContact CD1-CB 3.73Å; F108-E341 HydrophobicContact CD1-CG 4.18Å; F108-E341 HydrophobicContact CE1-CB 3.83Å; F108-E341 HydrophobicContact CE1-CG 3.8Å; F108-E341 HydrophobicContact CE2-CG 4.23Å; F108-E341 HydrophobicContact CG-CB 4.13Å; F108-E341 HydrophobicContact CZ-CB 4.31Å; F108-E341 HydrophobicContact CZ-CG 3.83Å | ||
| 109 | G | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.01 | 36% | 0.361 | C | S | . | . | trans | 67.2 | 44.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113.2 | D107 Q111 R112 L113 | D107-G109 VanDerWaalsContact C-N 3.27Å; D107-G109 WeakPolarHBondContact OD1-CA 3.19Å; D107-G109 PolarHBondContact OD1-N 3.04Å; G109-Q111 VanDerWaalsContact C-N 3.26Å; G109-Q111 PolarHBondContact O-N 2.91Å; G109-Q111 VanDerWaalsContact O-N 3.16Å; G109-R112 CarbonylContact O-C 3.58Å; G109-R112 WeakPolarHBondContact O-CA 3.34Å; G109-R112 WeakPolarHBondContact O-CB 3.38Å; G109-R112 PolarHBondContact O-N 3.45Å; G109-L113 PolarHBondContact O-N 2.98Å | ||
| 110 | E | 95.2 | Very high | 97.5 | Very high | 90 Ų | 90 | 66.8 Ų | 66.8 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | G | 310 helix | trans | -46.2 | -47.2 | -177.5 | -174.8 | 88 | -127.3 | 0 | 0 | 113 | R112 K254 K258 | E110-R112 VanDerWaalsContact C-N 3.26Å; E110-R112 PolarHBondContact O-N 3.44Å; E110-K254 IonicContact OE1-NZ 3.66Å; E110-K254 PolarHBondContact OE1-NZ 3.02Å; E110-K254 WeakPolarHBondContact OE2-CD 3.49Å; E110-K254 WeakPolarHBondContact OE2-CE 3.38Å; E110-K254 IonicContact OE2-NZ 3.33Å; E110-K254 PolarHBondContact OE2-NZ 3.18Å; E110-K258 IonicContact OE2-NZ 3.68Å; E110-K258 PolarHBondContact OE2-NZ 3.42Å |
| 111 | Q | 96.4 | Very high | 97.6 | Very high | 186 Ų | 186 | 64.9 Ų | 64.9 | 87% | 0.869 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -81.4 | -4.9 | -179.5 | -64 | -178.2 | -18 | 0 | 0 | 113.6 | G109 | G109-Q111 VanDerWaalsContact C-N 3.26Å; G109-Q111 PolarHBondContact O-N 2.91Å; G109-Q111 VanDerWaalsContact O-N 3.16Å |
| 112 | R | 97.7 | Very high | 97.6 | Very high | 85 Ų | 85 | 68.8 Ų | 68.8 | 32% | 0.321 | 36% | 0.355 | S | S | . | . | G | 310 helix | trans | -116.9 | 1.9 | -173.9 | -61 | 178.7 | 63.2 | -160.3 | -2.2 | 112.5 | G109 E110 S114 E115 F342 | G109-R112 CarbonylContact O-C 3.58Å; G109-R112 WeakPolarHBondContact O-CA 3.34Å; G109-R112 WeakPolarHBondContact O-CB 3.38Å; G109-R112 PolarHBondContact O-N 3.45Å; E110-R112 VanDerWaalsContact C-N 3.26Å; E110-R112 PolarHBondContact O-N 3.44Å; R112-S114 PolarHBondContact O-N 3.45Å; R112-E115 HydrophobicContact CB-CG 4.43Å; R112-E115 WeakPolarHBondContact CB-OE1 3.21Å; R112-E115 WeakPolarHBondContact CG-OE1 3.12Å; R112-E115 IonicContact CZ-OE1 3.86Å; R112-E115 IonicContact CZ-OE2 2.85Å; R112-E115 IonicContact NE-OE1 3.54Å; R112-E115 PolarHBondContact NE-OE1 2.88Å; R112-E115 IonicContact NE-OE2 2.65Å; R112-E115 IonicContact NH2-OE1 3.38Å; R112-E115 PolarHBondContact NH2-OE1 2.87Å; R112-E115 IonicContact NH2-OE2 3.63Å; R112-E115 PolarHBondContact NH2-OE2 3.1Å; R112-E115 VanDerWaalsContact O-CB 3.26Å; R112-E115 WeakPolarHBondContact O-CB 3.49Å; R112-E115 WeakPolarHBondContact O-CG 3.35Å; R112-E115 PolarHBondContact O-N 3.23Å; R112-F342 HydrophobicContact CB-CD2 4.45Å; R112-F342 HydrophobicContact CB-CE1 4.23Å; R112-F342 HydrophobicContact CB-CE2 3.81Å; R112-F342 HydrophobicContact CB-CZ 3.68Å; R112-F342 VanDerWaalsContact NH2-CE1 3.29Å; R112-F342 WeakPolarHBondContact O-CE2 3.46Å |
| 113 | L | 97.4 | Very high | 97.5 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 9% | 0.094 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -55.8 | -25.8 | 177.1 | -74.4 | 177.2 | 0 | 0 | 0 | 113 | G109 E115 L116 S247 L250 K251 | G109-L113 PolarHBondContact O-N 2.98Å; L113-E115 VanDerWaalsContact C-N 3.27Å; L113-E115 PolarHBondContact O-N 3.07Å; L113-L116 PolarHBondContact O-N 2.88Å; L113-S247 WeakPolarHBondContact O-CB 3.04Å; L113-S247 PolarHBondContact O-OG 3.21Å; L113-L250 HydrophobicContact CD2-CB 4.26Å; L113-L250 HydrophobicContact CD2-CD2 3.87Å; L113-L250 HydrophobicContact CD2-CG 4.04Å; L113-K251 HydrophobicContact CD1-CB 3.92Å; L113-K251 HydrophobicContact CD1-CD 4.32Å; L113-K251 HydrophobicContact CD1-CG 4Å |
| 114 | S | 96.5 | Very high | 97.5 | Very high | 98 Ų | 98 | 68.6 Ų | 68.6 | 69% | 0.685 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -71.2 | -16.2 | 174.8 | 54.8 | 0 | 0 | 0 | 0 | 114.2 | R112 L116 | R112-S114 PolarHBondContact O-N 3.45Å; S114-L116 PolarHBondContact O-N 3.06Å |
| 115 | E | 98 | Very high | 97.4 | Very high | 76 Ų | 76 | 68.1 Ų | 68.1 | 36% | 0.355 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -69.3 | -21.9 | 172.1 | -62.4 | 176.1 | -151.9 | 0 | 0 | 111.8 | R112 L113 T117 F342 Y349 | R112-E115 HydrophobicContact CB-CG 4.43Å; R112-E115 WeakPolarHBondContact CB-OE1 3.21Å; R112-E115 WeakPolarHBondContact CG-OE1 3.12Å; R112-E115 IonicContact CZ-OE1 3.86Å; R112-E115 IonicContact CZ-OE2 2.85Å; R112-E115 IonicContact NE-OE1 3.54Å; R112-E115 PolarHBondContact NE-OE1 2.88Å; R112-E115 IonicContact NE-OE2 2.65Å; R112-E115 IonicContact NH2-OE1 3.38Å; R112-E115 PolarHBondContact NH2-OE1 2.87Å; R112-E115 IonicContact NH2-OE2 3.63Å; R112-E115 PolarHBondContact NH2-OE2 3.1Å; R112-E115 VanDerWaalsContact O-CB 3.26Å; R112-E115 WeakPolarHBondContact O-CB 3.49Å; R112-E115 WeakPolarHBondContact O-CG 3.35Å; R112-E115 PolarHBondContact O-N 3.23Å; L113-E115 VanDerWaalsContact C-N 3.27Å; L113-E115 PolarHBondContact O-N 3.07Å; E115-T117 PolarHBondContact O-N 3Å; E115-F342 HydrophobicContact CB-CZ 4.21Å; E115-Y349 PolarHBondContact O-OH 3.16Å |
| 116 | L | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -98.5 | 64.6 | -176.7 | -55.8 | 178.8 | 0 | 0 | 0 | 110.9 | L113 S114 V246 S247 L250 F342 V345 K346 Y349 | L113-L116 PolarHBondContact O-N 2.88Å; S114-L116 PolarHBondContact O-N 3.06Å; L116-V246 HydrophobicContact CD1-CG1 4.27Å; L116-S247 WeakPolarHBondContact O-CB 3.33Å; L116-L250 HydrophobicContact CD1-CD2 3.66Å; L116-F342 HydrophobicContact CD1-CD2 4.27Å; L116-F342 HydrophobicContact CD1-CE2 3.76Å; L116-F342 HydrophobicContact CD1-CZ 4.48Å; L116-F342 HydrophobicContact CD2-CE2 4.49Å; L116-F342 HydrophobicContact CD2-CZ 4.43Å; L116-F342 HydrophobicContact CG-CE2 3.96Å; L116-F342 HydrophobicContact CG-CZ 4.27Å; L116-V345 HydrophobicContact CD1-CG1 4.01Å; L116-K346 HydrophobicContact CD2-CB 4.41Å; L116-Y349 HydrophobicContact CB-CD2 4.37Å; L116-Y349 HydrophobicContact CB-CE2 4.31Å; L116-Y349 HydrophobicContact CD2-CD1 3.9Å; L116-Y349 HydrophobicContact CD2-CD2 3.88Å; L116-Y349 HydrophobicContact CD2-CE1 4.38Å; L116-Y349 HydrophobicContact CD2-CE2 4.37Å; L116-Y349 HydrophobicContact CD2-CG 3.63Å |
| 117 | T | 95.7 | Very high | 97.4 | Very high | 83 Ų | 83 | 62.7 Ų | 62.7 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | trans | -61.9 | 167.1 | 177.6 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | E115 L119 Y349 | E115-T117 PolarHBondContact O-N 3Å; T117-L119 PolarHBondContact O-N 2.66Å; T117-L119 VanDerWaalsContact O-N 3.07Å; T117-Y349 PolarHBondContact N-OH 3.13Å; T117-Y349 VanDerWaalsContact O-CE2 3.23Å; T117-Y349 WeakPolarHBondContact O-CE2 3.45Å; T117-Y349 PolarHBondContact OG1-OH 2.82Å | ||
| 118 | N | 98.2 | Very high | 97.4 | Very high | 62 Ų | 62 | 60.7 Ų | 60.7 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -60.4 | 119.2 | 172.9 | -173.9 | -15.7 | 0 | 0 | 0 | 110 | D120 P121 G244 | N118-D120 PolarHBondContact O-N 2.81Å; N118-D120 VanDerWaalsContact OD1-C 3.27Å; N118-D120 PolarHBondContact OD1-N 3.22Å; N118-D120 PolarHBondContact OD1-O 3.49Å; N118-P121 HydrophobicContact CB-CG 4.36Å; N118-P121 WeakPolarHBondContact O-CD 3.36Å; N118-G244 WeakPolarHBondContact OD1-CA 3.41Å; N118-G244 PolarHBondContact OD1-O 3.21Å | ||
| 119 | L | 98 | Very high | 97.4 | Very high | 18 Ų | 18 | 60.3 Ų | 60.3 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -66.7 | -24.7 | -178.3 | -79 | 171.3 | 0 | 0 | 0 | 113.2 | T117 I126 G244 V246 Y349 V352 K353 I356 | T117-L119 PolarHBondContact O-N 2.66Å; T117-L119 VanDerWaalsContact O-N 3.07Å; L119-I126 HydrophobicContact CB-CD1 3.45Å; L119-I126 VanDerWaalsContact CB-CD1 3.45Å; L119-I126 HydrophobicContact CD1-CD1 4Å; L119-I126 HydrophobicContact CG-CD1 4.39Å; L119-G244 PolarHBondContact N-O 3.28Å; L119-V246 HydrophobicContact CD1-CG2 3.69Å; L119-V246 HydrophobicContact CG-CG2 4.28Å; L119-Y349 HydrophobicContact CD1-CD2 3.71Å; L119-Y349 HydrophobicContact CD1-CE2 4.13Å; L119-Y349 HydrophobicContact CD1-CG 4.44Å; L119-Y349 HydrophobicContact CD2-CD1 4.45Å; L119-Y349 HydrophobicContact CD2-CD2 3.59Å; L119-Y349 HydrophobicContact CD2-CE1 4.27Å; L119-Y349 HydrophobicContact CD2-CE2 3.34Å; L119-Y349 HydrophobicContact CD2-CG 4.13Å; L119-Y349 HydrophobicContact CG-CD2 3.56Å; L119-Y349 HydrophobicContact CG-CE2 3.43Å; L119-Y349 VanDerWaalsContact CG-CE2 3.43Å; L119-Y349 HydrophobicContact CG-CG 4.47Å; L119-V352 HydrophobicContact CD1-CB 4.08Å; L119-V352 HydrophobicContact CD1-CG1 3.8Å; L119-K353 HydrophobicContact CD2-CB 3.66Å; L119-K353 HydrophobicContact CD2-CG 4.23Å; L119-I356 HydrophobicContact CB-CD1 4.36Å |
| 120 | D | 98.1 | Very high | 97.4 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 5% | 0.048 | 33% | 0.333 | C | S | . | . | trans | -143.8 | 73.8 | -176.3 | 179.9 | 22.4 | 0 | 0 | 0 | 110 | N118 E122 G123 K124 Y125 I126 | N118-D120 PolarHBondContact O-N 2.81Å; N118-D120 VanDerWaalsContact OD1-C 3.27Å; N118-D120 PolarHBondContact OD1-N 3.22Å; N118-D120 PolarHBondContact OD1-O 3.49Å; D120-E122 PolarHBondContact O-N 3.15Å; D120-G123 PolarHBondContact O-N 3.09Å; D120-G123 VanDerWaalsContact O-N 3.08Å; D120-G123 PolarHBondContact OD1-N 2.94Å; D120-G123 VanDerWaalsContact OD1-N 3.12Å; D120-G123 VanDerWaalsContact OD2-CA 3.28Å; D120-G123 WeakPolarHBondContact OD2-CA 3.49Å; D120-K124 VanDerWaalsContact CG-N 3.32Å; D120-K124 PolarHBondContact OD1-N 2.93Å; D120-K124 PolarHBondContact OD2-N 3.34Å; D120-Y125 WeakPolarHBondContact OD2-CA 3.47Å; D120-Y125 PolarHBondContact OD2-N 2.91Å; D120-I126 HydrophobicContact CB-CB 4.13Å; D120-I126 HydrophobicContact CB-CD1 3.94Å; D120-I126 HydrophobicContact CB-CG1 4.01Å; D120-I126 PolarHBondContact OD2-N 3.07Å | ||
| 121 | P | 97.2 | Very high | 97.6 | Very high | 106 Ų | 106 | 59.1 Ų | 59.1 | 69% | 0.688 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -26.1 | -176.9 | -23.4 | 34.7 | 0 | 0 | 0 | 113.8 | N118 | N118-P121 HydrophobicContact CB-CG 4.36Å; N118-P121 WeakPolarHBondContact O-CD 3.36Å |
| 122 | E | 97.1 | Very high | 97.7 | Very high | 141 Ų | 141 | 52.7 Ų | 52.7 | 66% | 0.659 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -4.7 | -179.4 | -61.3 | -177.6 | -173.3 | 0 | 0 | 113 | D120 K124 | D120-E122 PolarHBondContact O-N 3.15Å; E122-K124 VanDerWaalsContact C-N 3.3Å; E122-K124 HydrophobicContact CB-CD 4.19Å; E122-K124 HydrophobicContact CB-CG 4.11Å; E122-K124 PolarHBondContact O-N 3.37Å; E122-K124 WeakPolarHBondContact OE2-CE 3.49Å; E122-K124 IonicContact OE2-NZ 2.59Å; E122-K124 PolarHBondContact OE2-NZ 3.49Å |
| 123 | G | 97.1 | Very high | 97.8 | Very high | 50 Ų | 50 | 48.7 Ų | 48.7 | 52% | 0.515 | 27% | 0.266 | S | S | . | . | trans | 65.2 | 28.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D120 | D120-G123 PolarHBondContact O-N 3.09Å; D120-G123 VanDerWaalsContact O-N 3.08Å; D120-G123 PolarHBondContact OD1-N 2.94Å; D120-G123 VanDerWaalsContact OD1-N 3.12Å; D120-G123 VanDerWaalsContact OD2-CA 3.28Å; D120-G123 WeakPolarHBondContact OD2-CA 3.49Å | ||
| 124 | K | 97.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 47.9 Ų | 47.9 | 50% | 0.496 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -77.9 | -35.2 | -176.5 | -75.8 | 174.1 | 167 | 167.6 | 0 | 113.1 | D120 E122 | D120-K124 VanDerWaalsContact CG-N 3.32Å; D120-K124 PolarHBondContact OD1-N 2.93Å; D120-K124 PolarHBondContact OD2-N 3.34Å; E122-K124 VanDerWaalsContact C-N 3.3Å; E122-K124 HydrophobicContact CB-CD 4.19Å; E122-K124 HydrophobicContact CB-CG 4.11Å; E122-K124 PolarHBondContact O-N 3.37Å; E122-K124 WeakPolarHBondContact OE2-CE 3.49Å; E122-K124 IonicContact OE2-NZ 2.59Å; E122-K124 PolarHBondContact OE2-NZ 3.49Å |
| 125 | Y | 97.8 | Very high | 97.9 | Very high | 34 Ų | 34 | 43.2 Ų | 43.2 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -116.9 | -52 | -165.9 | -54.3 | -71.2 | 0 | 0 | 0 | 112.1 | D120 I292 K293 I356 E359 E360 | D120-Y125 WeakPolarHBondContact OD2-CA 3.47Å; D120-Y125 PolarHBondContact OD2-N 2.91Å; Y125-I292 CarbonylContact O-C 3.35Å; Y125-I292 WeakPolarHBondContact O-CA 3.39Å; Y125-K293 PolarHBondContact O-N 3.35Å; Y125-I356 HydrophobicContact CD2-CG1 4.31Å; Y125-I356 HydrophobicContact CD2-CG2 3.72Å; Y125-I356 HydrophobicContact CE2-CG2 3.8Å; Y125-I356 HydrophobicContact CG-CG1 4.33Å; Y125-I356 HydrophobicContact CG-CG2 4.42Å; Y125-E359 HydrophobicContact CD1-CG 3.94Å; Y125-E359 HydrophobicContact CE1-CB 4.37Å; Y125-E359 HydrophobicContact CE1-CG 3.57Å; Y125-E360 HydrophobicContact CE2-CG 4.13Å; Y125-E360 WeakPolarHBondContact OH-CG 3.28Å |
| 126 | I | 98.3 | Very high | 97.9 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.036 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119 | -171.5 | -61.3 | 174.2 | 0 | 0 | 0 | 109.9 | L119 D120 G243 V290 I292 V352 I356 | L119-I126 HydrophobicContact CB-CD1 3.45Å; L119-I126 VanDerWaalsContact CB-CD1 3.45Å; L119-I126 HydrophobicContact CD1-CD1 4Å; L119-I126 HydrophobicContact CG-CD1 4.39Å; D120-I126 HydrophobicContact CB-CB 4.13Å; D120-I126 HydrophobicContact CB-CD1 3.94Å; D120-I126 HydrophobicContact CB-CG1 4.01Å; D120-I126 PolarHBondContact OD2-N 3.07Å; I126-G243 WeakPolarHBondContact CG2-O 3.22Å; I126-V290 HydrophobicContact CD1-CG1 4.4Å; I126-V290 HydrophobicContact CG2-CB 4.21Å; I126-V290 HydrophobicContact CG2-CG1 4.24Å; I126-I292 HydrophobicContact CG1-CD1 4Å; I126-I292 HydrophobicContact CG1-CG1 4.14Å; I126-V352 HydrophobicContact CD1-CG1 4.14Å; I126-I356 HydrophobicContact CD1-CD1 4.03Å; I126-I356 HydrophobicContact CG1-CD1 4.26Å |
| 127 | I | 97.7 | Very high | 98 | Very high | 66 Ų | 66 | 39.7 Ų | 39.7 | 34% | 0.338 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | -50.3 | 175 | -60.3 | 168.4 | 0 | 0 | 0 | 109.6 | N242 G243 H291 K293 I328 | I127-N242 WeakPolarHBondContact O-CA 3.32Å; I127-G243 PolarHBondContact O-N 3.43Å; I127-H291 HydrophobicContact CB-CB 4.11Å; I127-H291 PolarHBondContact N-O 3.07Å; I127-K293 HydrophobicContact CD1-CG 4.06Å; I127-K293 HydrophobicContact CG1-CG 4.26Å; I127-I328 HydrophobicContact CD1-CD1 4.07Å; I127-I328 HydrophobicContact CD1-CG2 3.75Å |
| 128 | S | 97.7 | Very high | 98.1 | Very high | 22 Ų | 22 | 42.4 Ų | 42.4 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 149.9 | -177 | 61.1 | 0 | 0 | 0 | 0 | 112.1 | Q241 V290 H291 | S128-Q241 CarbonylContact C-O 3.55Å; S128-Q241 WeakPolarHBondContact CA-O 3.47Å; S128-Q241 WeakPolarHBondContact CB-O 3.24Å; S128-V290 CarbonylContact O-C 3.59Å; S128-V290 VanDerWaalsContact O-CA 3.29Å; S128-V290 WeakPolarHBondContact O-CA 3.47Å; S128-H291 PolarHBondContact O-N 3.18Å; S128-H291 PolarHBondContact OG-ND1 2.93Å |
| 129 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 138.9 | 171.9 | -60 | 0 | 0 | 0 | 0 | 109.9 | M240 Q241 G243 V246 V249 V290 | T129-M240 CarbonylContact O-C 3.51Å; T129-M240 WeakPolarHBondContact O-CA 3.29Å; T129-M240 WeakPolarHBondContact O-CB 3.4Å; T129-Q241 PolarHBondContact N-O 3.49Å; T129-Q241 PolarHBondContact O-N 3.19Å; T129-G243 PolarHBondContact N-O 3.36Å; T129-G243 PolarHBondContact OG1-O 2.64Å; T129-V246 HydrophobicContact CG2-CG2 4.11Å; T129-V249 HydrophobicContact CG2-CB 4.21Å; T129-V249 HydrophobicContact CG2-CG1 4.34Å; T129-V249 HydrophobicContact CG2-CG2 3.97Å; T129-V290 HydrophobicContact CG2-CG1 4.37Å |
| 130 | R | 98.4 | Very high | 98 | Very high | 66 Ų | 66 | 42.3 Ų | 42.3 | 25% | 0.249 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 130.4 | 176.5 | -179.8 | 178.7 | -178.4 | -163.3 | 5.6 | 110.2 | I238 S239 M240 A288 S289 | R130-I238 HydrophobicContact CG-CG2 4.03Å; R130-S239 CarbonylContact C-O 3.57Å; R130-S239 WeakPolarHBondContact CA-O 3.34Å; R130-M240 HydrophobicContact CB-CB 4.09Å; R130-M240 HydrophobicContact CG-CB 4.15Å; R130-A288 CarbonylContact O-C 3.57Å; R130-S289 PolarHBondContact N-O 3.23Å; R130-S289 PolarHBondContact O-N 3.45Å |
| 131 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.3 | 171.5 | -49.5 | 173.4 | 0 | 0 | 0 | 107.8 | S239 V246 V249 L250 L253 I286 R287 A288 V345 | I131-S239 PolarHBondContact N-O 3Å; I131-S239 PolarHBondContact O-N 3.4Å; I131-S239 VanDerWaalsContact O-O 3.11Å; I131-V246 HydrophobicContact CD1-CG1 4.15Å; I131-V249 HydrophobicContact CB-CG1 3.98Å; I131-V249 HydrophobicContact CD1-CB 4.16Å; I131-V249 HydrophobicContact CD1-CG1 3.84Å; I131-V249 HydrophobicContact CG1-CB 4.44Å; I131-V249 HydrophobicContact CG1-CG1 3.65Å; I131-L250 HydrophobicContact CD1-CB 3.83Å; I131-L250 HydrophobicContact CD1-CD1 4.31Å; I131-L253 HydrophobicContact CB-CD2 4.01Å; I131-L253 HydrophobicContact CG2-CD2 3.46Å; I131-L253 VanDerWaalsContact CG2-CD2 3.46Å; I131-I286 HydrophobicContact CG2-CD1 4.08Å; I131-I286 HydrophobicContact CG2-CG2 4.07Å; I131-R287 WeakPolarHBondContact CA-O 2.98Å; I131-A288 HydrophobicContact CG1-CB 4Å; I131-A288 HydrophobicContact CG2-CB 4.11Å; I131-V345 HydrophobicContact CD1-CG1 3.82Å; I131-V345 HydrophobicContact CD1-CG2 4.01Å; I131-V345 HydrophobicContact CG2-CG2 3.97Å |
| 132 | R | 98.5 | Very high | 98.1 | Very high | 51 Ų | 51 | 37.5 Ų | 37.5 | 19% | 0.192 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.8 | -179.9 | 63.6 | -177.5 | -178.9 | 170.3 | 3.6 | 112.1 | I237 I238 I286 R287 | R132-I237 CarbonylContact C-O 3.59Å; R132-I237 WeakPolarHBondContact CA-O 3.48Å; R132-I237 WeakPolarHBondContact CB-O 3.38Å; R132-I238 HydrophobicContact CB-CB 4.34Å; R132-I238 HydrophobicContact CB-CG1 3.78Å; R132-I286 CarbonylContact O-C 3.56Å; R132-I286 WeakPolarHBondContact O-CA 3.42Å; R132-R287 HydrophobicContact CG-CB 4.07Å; R132-R287 PolarHBondContact N-O 2.73Å; R132-R287 PolarHBondContact O-N 3.36Å |
| 133 | C | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 163.2 | 169.9 | 61.7 | 0 | 0 | 0 | 0 | 110.8 | R236 I237 T285 I286 | C133-R236 WeakPolarHBondContact O-CA 3.22Å; C133-I237 PolarHBondContact N-O 2.88Å; C133-I237 PolarHBondContact O-N 3.37Å; C133-T285 WeakPolarHBondContact CA-O 3.44Å; C133-T285 WeakPolarHBondContact CB-OG1 3.41Å; C133-I286 HydrophobicContact CB-CD1 3.81Å; C133-I286 HydrophobicContact CB-CG1 4.43Å |
| 134 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 149 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | D233 V235 T276 N281 T285 | A134-D233 HydrophobicContact CB-CB 4.15Å; A134-D233 WeakPolarHBondContact CB-OD2 3.22Å; A134-V235 CarbonylContact C-O 3.57Å; A134-V235 WeakPolarHBondContact CA-O 3.32Å; A134-T276 HydrophobicContact CB-CG2 3.81Å; A134-N281 WeakPolarHBondContact CB-ND2 3.28Å; A134-T285 PolarHBondContact N-OG1 2.96Å; A134-T285 PolarHBondContact O-OG1 2.94Å |
| 135 | R | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 140.9 | 177.9 | -68.5 | -67 | -177 | -92.8 | 8.3 | 110.6 | E106 V235 I237 F266 F274 T284 T285 | E106-R135 IonicContact OE2-CZ 3.01Å; E106-R135 IonicContact OE2-NE 2.72Å; E106-R135 IonicContact OE2-NH2 3.44Å; E106-R135 PolarHBondContact OE2-NH2 2.7Å; R135-V235 HydrophobicContact CB-CB 4.39Å; R135-V235 PolarHBondContact N-O 2.98Å; R135-V235 PolarHBondContact O-N 2.77Å; R135-V235 VanDerWaalsContact O-N 3.1Å; R135-I237 HydrophobicContact CG-CD1 3.96Å; R135-F266 HydrophobicContact CB-CB 4.44Å; R135-F266 HydrophobicContact CB-CD1 3.55Å; R135-F266 HydrophobicContact CB-CD2 3.91Å; R135-F266 HydrophobicContact CB-CE1 3.58Å; R135-F266 HydrophobicContact CB-CE2 3.96Å; R135-F266 HydrophobicContact CB-CG 3.71Å; R135-F266 HydrophobicContact CB-CZ 3.8Å; R135-F266 HydrophobicContact CG-CD1 4.36Å; R135-F266 HydrophobicContact CG-CD2 3.79Å; R135-F266 HydrophobicContact CG-CE1 4.41Å; R135-F266 HydrophobicContact CG-CE2 3.87Å; R135-F266 HydrophobicContact CG-CG 4.05Å; R135-F266 HydrophobicContact CG-CZ 4.18Å; R135-F274 VanDerWaalsContact CZ-CE2 3.47Å; R135-T284 PolarHBondContact NH1-O 3.3Å; R135-T285 PolarHBondContact NH1-OG1 2.67Å |
| 136 | T | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | trans | -111.3 | 112.8 | -179.9 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | P77 K138 F142 F266 T267 V275 | P77-T136 HydrophobicContact CG-CG2 4.43Å; T136-K138 PolarHBondContact O-N 3.42Å; T136-F142 HydrophobicContact CG2-CD1 4.08Å; T136-F142 HydrophobicContact CG2-CE1 3.35Å; T136-F142 HydrophobicContact CG2-CZ 4.08Å; T136-F142 WeakPolarHBondContact OG1-CE1 3.49Å; T136-F266 CarbonylContact O-C 3.56Å; T136-F266 VanDerWaalsContact O-CA 3.29Å; T136-F266 WeakPolarHBondContact O-CA 3.11Å; T136-T267 PolarHBondContact O-N 3.23Å; T136-T267 PolarHBondContact O-OG1 3.4Å; T136-V275 VanDerWaalsContact CB-O 3.31Å; T136-V275 WeakPolarHBondContact CB-O 3.33Å; T136-V275 PolarHBondContact OG1-O 2.97Å | ||
| 137 | V | 98.5 | Very high | 98.3 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 16% | 0.159 | C | C | . | . | B | Isolated β-bridge | trans | -59 | 127.4 | 176.9 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | F140 L154 K157 H234 V235 M264 F266 | V137-F140 HydrophobicContact CB-CD2 3.95Å; V137-F140 HydrophobicContact CB-CE2 4.33Å; V137-F140 HydrophobicContact CG1-CD2 3.77Å; V137-F140 HydrophobicContact CG1-CE2 3.74Å; V137-F140 PolarHBondContact O-N 3.07Å; V137-L154 HydrophobicContact CB-CD2 3.69Å; V137-L154 HydrophobicContact CG1-CD2 4.22Å; V137-L154 HydrophobicContact CG2-CD2 3.74Å; V137-K157 HydrophobicContact CG1-CD 4.4Å; V137-H234 HydrophobicContact CG2-CB 4.12Å; V137-H234 PolarHBondContact N-ND1 2.87Å; V137-H234 VanDerWaalsContact N-ND1 3.19Å; V137-V235 HydrophobicContact CG2-CG2 4.23Å; V137-M264 HydrophobicContact CG2-SD 3.73Å; V137-F266 HydrophobicContact CG2-CD1 4.32Å; V137-F266 HydrophobicContact CG2-CE1 4.01Å |
| 138 | K | 98.1 | Very high | 98.3 | Very high | 140 Ų | 140 | 32.9 Ų | 32.9 | 61% | 0.609 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 136.3 | -178.2 | -171.6 | 173.9 | -177.3 | 173.5 | 0 | 111.5 | T136 A265 T267 | T136-K138 PolarHBondContact O-N 3.42Å; K138-A265 HydrophobicContact CB-CB 4Å; K138-A265 VanDerWaalsContact CB-O 3.27Å; K138-A265 WeakPolarHBondContact CB-O 3.49Å; K138-A265 HydrophobicContact CD-CB 4.07Å; K138-A265 PolarHBondContact N-O 3.47Å; K138-T267 WeakPolarHBondContact CA-OG1 3.42Å |
| 139 | G | 97.2 | Very high | 98.3 | Very high | 58 Ų | 58 | 37.4 Ų | 37.4 | 60% | 0.598 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 94.3 | -5.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | M51 | M51-G139 WeakPolarHBondContact CE-O 3.26Š|
| 140 | F | 98.4 | Very high | 98.3 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 8% | 0.083 | 19% | 0.194 | C | C | . | . | trans | -102.9 | 146.9 | 174.6 | -66.1 | -91.1 | 0 | 0 | 0 | 111.1 | V137 L146 D150 V153 L154 K157 | V137-F140 HydrophobicContact CB-CD2 3.95Å; V137-F140 HydrophobicContact CB-CE2 4.33Å; V137-F140 HydrophobicContact CG1-CD2 3.77Å; V137-F140 HydrophobicContact CG1-CE2 3.74Å; V137-F140 PolarHBondContact O-N 3.07Å; F140-L146 HydrophobicContact CB-CD2 4.4Å; F140-L146 HydrophobicContact CD1-CD2 4.39Å; F140-D150 HydrophobicContact CD1-CB 4.27Å; F140-D150 HydrophobicContact CE1-CB 4.46Å; F140-V153 HydrophobicContact CE1-CB 4.49Å; F140-V153 HydrophobicContact CE1-CG1 4.18Å; F140-V153 HydrophobicContact CZ-CG1 3.8Å; F140-L154 HydrophobicContact CB-CD2 4.4Å; F140-L154 HydrophobicContact CD1-CD1 4.08Å; F140-L154 HydrophobicContact CD1-CD2 4Å; F140-L154 HydrophobicContact CD1-CG 3.85Å; F140-L154 HydrophobicContact CD2-CD2 3.56Å; F140-L154 HydrophobicContact CD2-CG 4.34Å; F140-L154 HydrophobicContact CE1-CD2 4.11Å; F140-L154 HydrophobicContact CE1-CG 3.88Å; F140-L154 HydrophobicContact CE2-CD2 3.67Å; F140-L154 HydrophobicContact CE2-CG 4.34Å; F140-L154 HydrophobicContact CG-CD1 4.28Å; F140-L154 HydrophobicContact CG-CD2 3.72Å; F140-L154 HydrophobicContact CG-CG 4.09Å; F140-L154 HydrophobicContact CZ-CD2 3.96Å; F140-L154 HydrophobicContact CZ-CG 4.13Å; F140-K157 HydrophobicContact CE2-CD 4.09Å; F140-K157 HydrophobicContact CZ-CD 4.21Å | ||
| 141 | P | 98.4 | Very high | 98.3 | Very high | 13 Ų | 13 | 36.3 Ų | 36.3 | 8% | 0.084 | 18% | 0.182 | C | C | . | . | trans | -74.5 | -177.4 | 165.7 | 36.3 | -36.4 | 0 | 0 | 0 | 110.5 | M51 D76 L145 L146 H234 | M51-P141 HydrophobicContact SD-CB 3.73Å; M51-P141 HydrophobicContact SD-CG 4.49Å; D76-P141 HydrophobicContact CB-CB 3.92Å; P141-L145 HydrophobicContact CB-CB 3.72Å; P141-L145 HydrophobicContact CB-CD1 4.03Å; P141-L145 HydrophobicContact CB-CG 4.4Å; P141-L145 HydrophobicContact CG-CB 3.85Å; P141-L146 HydrophobicContact CG-CD2 3.97Å; P141-L146 HydrophobicContact CG-CG 4.31Å; P141-H234 PolarHBondContact O-CE1 3Å; P141-H234 PolarHBondContact O-NE2 3.24Å | ||
| 142 | F | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | trans | -92.5 | -178.6 | 168.4 | -57.1 | -57.3 | 0 | 0 | 0 | 111.3 | A74 P75 P77 Y80 T136 P144 L145 L146 V275 T276 F277 | A74-F142 HydrophobicContact CB-CD2 3.75Å; A74-F142 HydrophobicContact CB-CE2 3.76Å; A74-F142 WeakPolarHBondContact O-CB 3.47Å; A74-F142 WeakPolarHBondContact O-CD2 3.18Å; P75-F142 WeakPolarHBondContact O-CA 3.42Å; P75-F142 WeakPolarHBondContact O-CB 3.48Å; P75-F142 PolarHBondContact O-N 2.95Å; P77-F142 HydrophobicContact CG-CE1 4.48Å; P77-F142 HydrophobicContact CG-CE2 4.11Å; P77-F142 HydrophobicContact CG-CZ 3.88Å; Y80-F142 HydrophobicContact CE2-CE2 4.3Å; T136-F142 HydrophobicContact CG2-CD1 4.08Å; T136-F142 HydrophobicContact CG2-CE1 3.35Å; T136-F142 HydrophobicContact CG2-CZ 4.08Å; T136-F142 WeakPolarHBondContact OG1-CE1 3.49Å; F142-P144 WeakPolarHBondContact O-CD 3.48Å; F142-P144 VanDerWaalsContact O-N 3.1Å; F142-L145 PolarHBondContact O-N 3.49Å; F142-L146 PolarHBondContact O-N 3.44Å; F142-L146 VanDerWaalsContact O-N 3.17Å; F142-V275 HydrophobicContact CZ-CG2 4.44Å; F142-T276 WeakPolarHBondContact CE2-O 3.05Å; F142-T276 VanDerWaalsContact CZ-O 3.26Å; F142-T276 WeakPolarHBondContact CZ-O 3.43Å; F142-F277 HydrophobicContact CB-CB 4.37Å; F142-F277 HydrophobicContact CB-CD2 3.64Å; F142-F277 HydrophobicContact CB-CE2 4.37Å; F142-F277 HydrophobicContact CB-CG 4.39Å; F142-F277 HydrophobicContact CD1-CB 4.27Å; F142-F277 HydrophobicContact CG-CB 4.31Å; F142-F277 HydrophobicContact CG-CD2 4.21Å | ||
| 143 | N | 98.1 | Very high | 98.3 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.011 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.8 | -41.8 | -170.3 | -60.6 | -59.9 | 0 | 0 | 0 | 117.4 | L145 L146 Y151 A207 E232 F277 | N143-L145 PolarHBondContact O-N 3.46Å; N143-L146 PolarHBondContact O-N 2.84Å; N143-Y151 PolarHBondContact OD1-OH 3.49Å; N143-A207 HydrophobicContact CB-CB 4.11Å; N143-E232 PolarHBondContact ND2-O 3.03Å; N143-F277 HydrophobicContact CB-CE1 4.48Å; N143-F277 HydrophobicContact CB-CE2 4.26Å; N143-F277 HydrophobicContact CB-CZ 4.15Å; N143-F277 VanDerWaalsContact ND2-CD1 3.28Å; N143-F277 WeakPolarHBondContact ND2-CD1 3.47Å; N143-F277 WeakPolarHBondContact ND2-CE1 3.45Å |
| 144 | P | 98.1 | Very high | 98.3 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.071 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -22.9 | -177.8 | -26.3 | 35.8 | 0 | 0 | 0 | 114.6 | D57 P75 F142 A205 K206 F277 | D57-P144 HydrophobicContact CB-CB 3.99Å; P75-P144 HydrophobicContact CB-CB 4Å; P75-P144 HydrophobicContact CB-CG 4.11Å; F142-P144 WeakPolarHBondContact O-CD 3.48Å; F142-P144 VanDerWaalsContact O-N 3.1Å; P144-A205 WeakPolarHBondContact CG-O 3.43Å; P144-K206 HydrophobicContact CB-CD 4.09Å; P144-F277 HydrophobicContact CG-CE2 3.74Å; P144-F277 HydrophobicContact CG-CZ 4.27Å |
| 145 | L | 98.3 | Very high | 98.3 | Very high | 38 Ų | 38 | 40.4 Ų | 40.4 | 20% | 0.199 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -8 | -177 | -48.6 | 177.5 | 0 | 0 | 0 | 113.5 | M51 P75 D76 P141 F142 N143 R147 | M51-L145 HydrophobicContact CB-CD1 4.04Å; P75-L145 HydrophobicContact CB-CD1 4.01Å; P75-L145 HydrophobicContact CB-CG 3.98Å; D76-L145 HydrophobicContact CB-CD1 4.27Å; P141-L145 HydrophobicContact CB-CB 3.72Å; P141-L145 HydrophobicContact CB-CD1 4.03Å; P141-L145 HydrophobicContact CB-CG 4.4Å; P141-L145 HydrophobicContact CG-CB 3.85Å; F142-L145 PolarHBondContact O-N 3.49Å; N143-L145 PolarHBondContact O-N 3.46Å; L145-R147 PolarHBondContact O-N 3.21Å |
| 146 | L | 98.2 | Very high | 98.3 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | trans | -63.8 | 132.4 | 172.9 | -73.8 | 174.2 | 0 | 0 | 0 | 109.9 | F140 P141 F142 N143 D150 Y151 L154 | F140-L146 HydrophobicContact CB-CD2 4.4Å; F140-L146 HydrophobicContact CD1-CD2 4.39Å; P141-L146 HydrophobicContact CG-CD2 3.97Å; P141-L146 HydrophobicContact CG-CG 4.31Å; F142-L146 PolarHBondContact O-N 3.44Å; F142-L146 VanDerWaalsContact O-N 3.17Å; N143-L146 PolarHBondContact O-N 2.84Å; L146-D150 HydrophobicContact CB-CB 4.41Å; L146-D150 HydrophobicContact CD2-CB 3.51Å; L146-Y151 HydrophobicContact CB-CD2 4.14Å; L146-Y151 HydrophobicContact CB-CE2 3.62Å; L146-Y151 HydrophobicContact CD1-CD1 4.34Å; L146-Y151 HydrophobicContact CD1-CE1 3.75Å; L146-Y151 HydrophobicContact CD1-CE2 4.3Å; L146-L154 HydrophobicContact CD1-CD1 4.19Å; L146-L154 HydrophobicContact CD2-CD1 3.9Å | ||
| 147 | R | 98 | Very high | 98.3 | Very high | 181 Ų | 181 | 47.9 Ų | 47.9 | 68% | 0.683 | 24% | 0.242 | S | C | * | . | trans | -95.4 | 166.9 | 170.4 | -58.2 | 178.8 | 178.5 | 179 | -0.6 | 109.9 | L145 D149 D150 Y151 | L145-R147 PolarHBondContact O-N 3.21Å; R147-D149 VanDerWaalsContact C-N 3.28Å; R147-D149 PolarHBondContact O-N 3.27Å; R147-D150 WeakPolarHBondContact CB-OD2 3.15Å; R147-D150 PolarHBondContact N-OD2 3.22Å; R147-D150 WeakPolarHBondContact O-CB 3.37Å; R147-D150 PolarHBondContact O-N 2.87Å; R147-Y151 WeakPolarHBondContact O-CD2 3.49Å; R147-Y151 PolarHBondContact O-N 3.44Å | ||
| 148 | E | 98.2 | Very high | 98.3 | Very high | 80 Ų | 80 | 47.8 Ų | 47.8 | 37% | 0.374 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -52 | -45.8 | 177.4 | -171.8 | 176.9 | -147.4 | 0 | 0 | 112.4 | D150 Y151 I152 Y210 I213 | E148-D150 VanDerWaalsContact C-N 3.32Å; E148-D150 PolarHBondContact O-N 2.91Å; E148-Y151 WeakPolarHBondContact O-CB 3.47Å; E148-Y151 PolarHBondContact O-N 3.29Å; E148-I152 HydrophobicContact CG-CD1 4.42Å; E148-I152 WeakPolarHBondContact O-CG1 2.89Å; E148-I152 PolarHBondContact O-N 3.44Å; E148-I152 VanDerWaalsContact O-N 3.16Å; E148-Y210 HydrophobicContact CB-CD1 3.82Å; E148-Y210 HydrophobicContact CB-CD2 4.32Å; E148-Y210 HydrophobicContact CB-CE1 4.06Å; E148-Y210 HydrophobicContact CB-CG 3.96Å; E148-Y210 HydrophobicContact CG-CD1 4.24Å; E148-Y210 HydrophobicContact CG-CG 4.33Å; E148-I213 HydrophobicContact CG-CD1 4.21Å; E148-I213 HydrophobicContact CG-CG2 3.97Å; E148-I213 WeakPolarHBondContact OE1-CD1 3.25Å |
| 149 | D | 98.4 | Very high | 98.3 | Very high | 116 Ų | 116 | 42.3 Ų | 42.3 | 62% | 0.62 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.4 | -35.3 | 177 | -72 | -23.2 | 0 | 0 | 0 | 112.7 | R147 Y151 I152 V153 | R147-D149 VanDerWaalsContact C-N 3.28Å; R147-D149 PolarHBondContact O-N 3.27Å; D149-Y151 VanDerWaalsContact C-N 3.32Å; D149-Y151 PolarHBondContact O-N 3.1Å; D149-I152 PolarHBondContact O-N 2.88Å; D149-V153 WeakPolarHBondContact O-CB 3.31Å; D149-V153 VanDerWaalsContact O-CG2 3.27Å; D149-V153 WeakPolarHBondContact O-CG2 3.5Å; D149-V153 PolarHBondContact O-N 2.89Å |
| 150 | D | 98.3 | Very high | 98.4 | Very high | 44 Ų | 44 | 43.7 Ų | 43.7 | 24% | 0.235 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.1 | -41.3 | 177.5 | -61 | -55 | 0 | 0 | 0 | 110.7 | F140 L146 R147 E148 I152 V153 L154 | F140-D150 HydrophobicContact CD1-CB 4.27Å; F140-D150 HydrophobicContact CE1-CB 4.46Å; L146-D150 HydrophobicContact CB-CB 4.41Å; L146-D150 HydrophobicContact CD2-CB 3.51Å; R147-D150 WeakPolarHBondContact CB-OD2 3.15Å; R147-D150 PolarHBondContact N-OD2 3.22Å; R147-D150 WeakPolarHBondContact O-CB 3.37Å; R147-D150 PolarHBondContact O-N 2.87Å; E148-D150 VanDerWaalsContact C-N 3.32Å; E148-D150 PolarHBondContact O-N 2.91Å; D150-I152 PolarHBondContact O-N 2.79Å; D150-V153 PolarHBondContact O-N 2.87Å; D150-L154 WeakPolarHBondContact O-CB 3.05Å; D150-L154 VanDerWaalsContact O-CG 3.27Å; D150-L154 WeakPolarHBondContact O-CG 3.3Å; D150-L154 PolarHBondContact O-N 2.93Å |
| 151 | Y | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.5 | -79.8 | -69.9 | 0 | 0 | 0 | 111.7 | N143 L146 R147 E148 D149 E155 Y210 G214 N230 | N143-Y151 PolarHBondContact OD1-OH 3.49Å; L146-Y151 HydrophobicContact CB-CD2 4.14Å; L146-Y151 HydrophobicContact CB-CE2 3.62Å; L146-Y151 HydrophobicContact CD1-CD1 4.34Å; L146-Y151 HydrophobicContact CD1-CE1 3.75Å; L146-Y151 HydrophobicContact CD1-CE2 4.3Å; R147-Y151 WeakPolarHBondContact O-CD2 3.49Å; R147-Y151 PolarHBondContact O-N 3.44Å; E148-Y151 WeakPolarHBondContact O-CB 3.47Å; E148-Y151 PolarHBondContact O-N 3.29Å; D149-Y151 VanDerWaalsContact C-N 3.32Å; D149-Y151 PolarHBondContact O-N 3.1Å; Y151-E155 WeakPolarHBondContact O-CB 3.43Å; Y151-E155 PolarHBondContact O-N 2.87Å; Y151-Y210 AromaticContact CD2-CD2 3.87Å; Y151-Y210 HydrophobicContact CD2-CD2 3.87Å; Y151-Y210 AromaticContact CE2-CD2 3.83Å; Y151-Y210 HydrophobicContact CE2-CD2 3.83Å; Y151-Y210 HydrophobicContact CE2-CE2 4.45Å; Y151-G214 WeakPolarHBondContact O-CA 3.29Å; Y151-N230 HydrophobicContact CD1-CB 3.72Å; Y151-N230 HydrophobicContact CE1-CB 3.96Å; Y151-N230 PolarHBondContact O-ND2 2.97Å; Y151-N230 VanDerWaalsContact O-ND2 3.16Å |
| 152 | I | 98.6 | Very high | 98.4 | Very high | 56 Ų | 56 | 42.6 Ų | 42.6 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -64.8 | -45.2 | 178 | -64.1 | 167.6 | 0 | 0 | 0 | 110.9 | E148 D149 D150 E155 E156 I213 | E148-I152 HydrophobicContact CG-CD1 4.42Å; E148-I152 WeakPolarHBondContact O-CG1 2.89Å; E148-I152 PolarHBondContact O-N 3.44Å; E148-I152 VanDerWaalsContact O-N 3.16Å; D149-I152 PolarHBondContact O-N 2.88Å; D150-I152 PolarHBondContact O-N 2.79Å; I152-E155 WeakPolarHBondContact O-CB 3.48Å; I152-E155 PolarHBondContact O-N 2.97Å; I152-E156 PolarHBondContact O-N 3.31Å; I152-I213 HydrophobicContact CD1-CG2 3.99Å; I152-I213 HydrophobicContact CG1-CG2 3.7Å |
| 153 | V | 98.6 | Very high | 98.4 | Very high | 67 Ų | 67 | 50.4 Ų | 50.4 | 41% | 0.406 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -41.2 | 179.6 | 172.9 | 0 | 0 | 0 | 0 | 111.2 | F140 D149 D150 E156 K157 | F140-V153 HydrophobicContact CE1-CB 4.49Å; F140-V153 HydrophobicContact CE1-CG1 4.18Å; F140-V153 HydrophobicContact CZ-CG1 3.8Å; D149-V153 WeakPolarHBondContact O-CB 3.31Å; D149-V153 VanDerWaalsContact O-CG2 3.27Å; D149-V153 WeakPolarHBondContact O-CG2 3.5Å; D149-V153 PolarHBondContact O-N 2.89Å; D150-V153 PolarHBondContact O-N 2.87Å; V153-E156 PolarHBondContact O-N 3.08Å; V153-K157 HydrophobicContact CG1-CD 4.46Å; V153-K157 WeakPolarHBondContact O-CB 3.16Å; V153-K157 WeakPolarHBondContact O-CG 3.34Å; V153-K157 PolarHBondContact O-N 3.13Å |
| 154 | L | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 173.7 | -77.5 | 168.7 | 0 | 0 | 0 | 111.2 | V137 F140 L146 D150 E156 K157 V158 H234 | V137-L154 HydrophobicContact CB-CD2 3.69Å; V137-L154 HydrophobicContact CG1-CD2 4.22Å; V137-L154 HydrophobicContact CG2-CD2 3.74Å; F140-L154 HydrophobicContact CB-CD2 4.4Å; F140-L154 HydrophobicContact CD1-CD1 4.08Å; F140-L154 HydrophobicContact CD1-CD2 4Å; F140-L154 HydrophobicContact CD1-CG 3.85Å; F140-L154 HydrophobicContact CD2-CD2 3.56Å; F140-L154 HydrophobicContact CD2-CG 4.34Å; F140-L154 HydrophobicContact CE1-CD2 4.11Å; F140-L154 HydrophobicContact CE1-CG 3.88Å; F140-L154 HydrophobicContact CE2-CD2 3.67Å; F140-L154 HydrophobicContact CE2-CG 4.34Å; F140-L154 HydrophobicContact CG-CD1 4.28Å; F140-L154 HydrophobicContact CG-CD2 3.72Å; F140-L154 HydrophobicContact CG-CG 4.09Å; F140-L154 HydrophobicContact CZ-CD2 3.96Å; F140-L154 HydrophobicContact CZ-CG 4.13Å; L146-L154 HydrophobicContact CD1-CD1 4.19Å; L146-L154 HydrophobicContact CD2-CD1 3.9Å; D150-L154 WeakPolarHBondContact O-CB 3.05Å; D150-L154 VanDerWaalsContact O-CG 3.27Å; D150-L154 WeakPolarHBondContact O-CG 3.3Å; D150-L154 PolarHBondContact O-N 2.93Å; L154-E156 PolarHBondContact O-N 3.33Å; L154-K157 PolarHBondContact O-N 2.96Å; L154-V158 WeakPolarHBondContact O-CG2 3.18Å; L154-V158 PolarHBondContact O-N 2.87Å; L154-V158 VanDerWaalsContact O-N 3.1Å; L154-H234 HydrophobicContact CD2-CB 4.3Å |
| 155 | E | 98.6 | Very high | 98.3 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.5 | -51.3 | 176.1 | -160.3 | -160 | 147.5 | 0 | 0 | 111.5 | Y151 I152 K157 V158 K159 Y174 G214 | Y151-E155 WeakPolarHBondContact O-CB 3.43Å; Y151-E155 PolarHBondContact O-N 2.87Å; I152-E155 WeakPolarHBondContact O-CB 3.48Å; I152-E155 PolarHBondContact O-N 2.97Å; E155-K157 PolarHBondContact O-N 2.8Å; E155-V158 PolarHBondContact O-N 2.85Å; E155-K159 HydrophobicContact CG-CD 3.83Å; E155-K159 WeakPolarHBondContact O-CB 3.14Å; E155-K159 VanDerWaalsContact O-CG 3.31Å; E155-K159 WeakPolarHBondContact O-CG 3.36Å; E155-K159 PolarHBondContact O-N 2.9Å; E155-K159 WeakPolarHBondContact OE1-CD 3.46Å; E155-K159 IonicContact OE1-NZ 3.84Å; E155-K159 PolarHBondContact OE1-NZ 3.1Å; E155-Y174 HydrophobicContact CG-CE1 4.27Å; E155-Y174 WeakPolarHBondContact CG-OH 3.48Å; E155-G214 WeakPolarHBondContact CB-O 3.35Å; E155-G214 WeakPolarHBondContact OE2-CA 3.46Å |
| 156 | E | 98.4 | Very high | 98.2 | Very high | 68 Ų | 68 | 56 Ų | 56 | 32% | 0.318 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.3 | -37.7 | -179.3 | -74.1 | -58.3 | 129.5 | 0 | 0 | 112.5 | I152 V153 L154 V158 K159 N160 | I152-E156 PolarHBondContact O-N 3.31Å; V153-E156 PolarHBondContact O-N 3.08Å; L154-E156 PolarHBondContact O-N 3.33Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 3.24Å; E156-K159 PolarHBondContact O-N 3.4Å; E156-K159 VanDerWaalsContact OE1-CE 3.29Å; E156-K159 WeakPolarHBondContact OE1-CE 3.41Å; E156-K159 IonicContact OE1-NZ 4Å; E156-K159 PolarHBondContact OE1-NZ 3.17Å; E156-N160 WeakPolarHBondContact O-CB 3.26Å; E156-N160 VanDerWaalsContact O-CG 3.22Å; E156-N160 PolarHBondContact O-N 2.76Å; E156-N160 PolarHBondContact O-ND2 3.26Å; E156-N160 VanDerWaalsContact O-ND2 3.09Å |
| 157 | K | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 58.2 Ų | 58.2 | 39% | 0.391 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.9 | -46.1 | 173.1 | -79.3 | -177.2 | 175.1 | -172.1 | 0 | 111.5 | V137 F140 V153 L154 E155 A161 M264 | V137-K157 HydrophobicContact CG1-CD 4.4Å; F140-K157 HydrophobicContact CE2-CD 4.09Å; F140-K157 HydrophobicContact CZ-CD 4.21Å; V153-K157 HydrophobicContact CG1-CD 4.46Å; V153-K157 WeakPolarHBondContact O-CB 3.16Å; V153-K157 WeakPolarHBondContact O-CG 3.34Å; V153-K157 PolarHBondContact O-N 3.13Å; L154-K157 PolarHBondContact O-N 2.96Å; E155-K157 PolarHBondContact O-N 2.8Å; K157-A161 WeakPolarHBondContact O-CB 3.49Å; K157-A161 PolarHBondContact O-N 3.19Å; K157-A161 VanDerWaalsContact O-N 3.07Å; K157-M264 WeakPolarHBondContact O-CE 3.44Å |
| 158 | V | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -69.4 | -43.5 | 178.7 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | L154 E155 E156 N160 A161 V162 I227 V229 V235 M264 | L154-V158 WeakPolarHBondContact O-CG2 3.18Å; L154-V158 PolarHBondContact O-N 2.87Å; L154-V158 VanDerWaalsContact O-N 3.1Å; E155-V158 PolarHBondContact O-N 2.85Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 3.24Å; V158-N160 VanDerWaalsContact C-N 3.31Å; V158-N160 PolarHBondContact O-N 2.9Å; V158-A161 PolarHBondContact O-N 3.42Å; V158-A161 VanDerWaalsContact O-N 3.15Å; V158-V162 HydrophobicContact CG1-CG1 4.11Å; V158-V162 WeakPolarHBondContact O-CG1 3.29Å; V158-V162 WeakPolarHBondContact O-CG2 3.33Å; V158-V162 PolarHBondContact O-N 2.84Å; V158-I227 HydrophobicContact CG1-CG2 4.21Å; V158-V229 HydrophobicContact CB-CG1 4.32Å; V158-V229 HydrophobicContact CB-CG2 3.96Å; V158-V229 HydrophobicContact CG1-CG2 3.56Å; V158-V229 HydrophobicContact CG2-CG1 4.13Å; V158-V229 HydrophobicContact CG2-CG2 4.26Å; V158-V235 HydrophobicContact CG2-CG2 3.73Å; V158-M264 HydrophobicContact CG2-CE 4.25Å; V158-M264 HydrophobicContact CG2-SD 4.39Å |
| 159 | K | 98.2 | Very high | 98.2 | Very high | 25 Ų | 25 | 53.9 Ų | 53.9 | 11% | 0.109 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -55.4 | -46.7 | 175.9 | -76.9 | 164.6 | 73.8 | 176.7 | 0 | 112 | E155 E156 V162 R163 Y174 | E155-K159 HydrophobicContact CG-CD 3.83Å; E155-K159 WeakPolarHBondContact O-CB 3.14Å; E155-K159 VanDerWaalsContact O-CG 3.31Å; E155-K159 WeakPolarHBondContact O-CG 3.36Å; E155-K159 PolarHBondContact O-N 2.9Å; E155-K159 WeakPolarHBondContact OE1-CD 3.46Å; E155-K159 IonicContact OE1-NZ 3.84Å; E155-K159 PolarHBondContact OE1-NZ 3.1Å; E156-K159 PolarHBondContact O-N 3.4Å; E156-K159 VanDerWaalsContact OE1-CE 3.29Å; E156-K159 WeakPolarHBondContact OE1-CE 3.41Å; E156-K159 IonicContact OE1-NZ 4Å; E156-K159 PolarHBondContact OE1-NZ 3.17Å; K159-V162 WeakPolarHBondContact O-CG2 3.42Å; K159-R163 VanDerWaalsContact O-CB 3.32Å; K159-R163 WeakPolarHBondContact O-CB 3.41Å; K159-R163 WeakPolarHBondContact O-CD 3.39Å; K159-R163 WeakPolarHBondContact O-CG 3.14Å; K159-R163 PolarHBondContact O-N 3.38Å; K159-Y174 HydrophobicContact CD-CD1 3.84Å; K159-Y174 HydrophobicContact CD-CE1 3.52Å; K159-Y174 HydrophobicContact CD-CE2 4.45Å; K159-Y174 HydrophobicContact CD-CG 4.44Å; K159-Y174 HydrophobicContact CG-CD1 3.54Å; K159-Y174 HydrophobicContact CG-CD2 3.64Å; K159-Y174 HydrophobicContact CG-CE1 3.46Å; K159-Y174 VanDerWaalsContact CG-CE1 3.46Å; K159-Y174 HydrophobicContact CG-CE2 3.57Å; K159-Y174 HydrophobicContact CG-CG 3.65Å; K159-Y174 VanDerWaalsContact CG-CZ 3.48Å |
| 160 | N | 98.3 | Very high | 98.2 | Very high | 87 Ų | 87 | 48.5 Ų | 48.5 | 47% | 0.465 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | 179 | -69.3 | -29.4 | 0 | 0 | 0 | 111.8 | E156 V158 S164 | E156-N160 WeakPolarHBondContact O-CB 3.26Å; E156-N160 VanDerWaalsContact O-CG 3.22Å; E156-N160 PolarHBondContact O-N 2.76Å; E156-N160 PolarHBondContact O-ND2 3.26Å; E156-N160 VanDerWaalsContact O-ND2 3.09Å; V158-N160 VanDerWaalsContact C-N 3.31Å; V158-N160 PolarHBondContact O-N 2.9Å; N160-S164 PolarHBondContact O-N 2.89Å; N160-S164 PolarHBondContact O-OG 3.16Å |
| 161 | A | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -52 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K157 V158 R163 S164 F165 L260 K263 M264 | K157-A161 WeakPolarHBondContact O-CB 3.49Å; K157-A161 PolarHBondContact O-N 3.19Å; K157-A161 VanDerWaalsContact O-N 3.07Å; V158-A161 PolarHBondContact O-N 3.42Å; V158-A161 VanDerWaalsContact O-N 3.15Å; A161-R163 VanDerWaalsContact C-N 3.33Å; A161-R163 PolarHBondContact O-N 3.48Å; A161-S164 WeakPolarHBondContact O-CB 3.37Å; A161-S164 PolarHBondContact O-N 3.43Å; A161-S164 PolarHBondContact O-OG 3.19Å; A161-F165 WeakPolarHBondContact O-CD1 3.48Å; A161-L260 HydrophobicContact CB-CD2 3.91Å; A161-K263 HydrophobicContact CB-CB 3.69Å; A161-K263 HydrophobicContact CB-CG 4.03Å; A161-M264 HydrophobicContact CB-CE 3.43Å; A161-M264 VanDerWaalsContact CB-CE 3.43Å |
| 162 | V | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -68.7 | -30 | -177.4 | -56.2 | 0 | 0 | 0 | 0 | 113.2 | V158 K159 S164 F165 Y174 F218 I227 L260 | V158-V162 HydrophobicContact CG1-CG1 4.11Å; V158-V162 WeakPolarHBondContact O-CG1 3.29Å; V158-V162 WeakPolarHBondContact O-CG2 3.33Å; V158-V162 PolarHBondContact O-N 2.84Å; K159-V162 WeakPolarHBondContact O-CG2 3.42Å; V162-S164 PolarHBondContact O-N 3.07Å; V162-F165 HydrophobicContact CB-CD2 4.24Å; V162-F165 HydrophobicContact CB-CE2 3.94Å; V162-F165 HydrophobicContact CB-CZ 4.26Å; V162-F165 HydrophobicContact CG1-CE2 3.84Å; V162-F165 HydrophobicContact CG1-CZ 3.87Å; V162-F165 WeakPolarHBondContact O-CG 3.27Å; V162-F165 PolarHBondContact O-N 3.42Å; V162-Y174 HydrophobicContact CG2-CD2 4.07Å; V162-F218 HydrophobicContact CB-CD1 4.31Å; V162-F218 HydrophobicContact CB-CD2 3.74Å; V162-F218 HydrophobicContact CB-CE1 4.28Å; V162-F218 HydrophobicContact CB-CE2 3.69Å; V162-F218 HydrophobicContact CB-CG 4.03Å; V162-F218 HydrophobicContact CB-CZ 3.97Å; V162-F218 HydrophobicContact CG1-CD1 4.1Å; V162-F218 HydrophobicContact CG1-CD2 4.26Å; V162-F218 HydrophobicContact CG1-CE1 4.37Å; V162-F218 HydrophobicContact CG1-CG 4.03Å; V162-F218 HydrophobicContact CG2-CD2 3.52Å; V162-F218 HydrophobicContact CG2-CE2 3.82Å; V162-F218 HydrophobicContact CG2-CG 4.05Å; V162-I227 HydrophobicContact CG1-CD1 3.63Å; V162-L260 HydrophobicContact CG1-CD2 4.27Å |
| 163 | R | 97.8 | Very high | 98.2 | Very high | 165 Ų | 165 | 52 Ų | 52 | 62% | 0.623 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.9 | -24.6 | 171.2 | -77.1 | 170 | 178.5 | 165.6 | -3 | 112.7 | K159 A161 | K159-R163 VanDerWaalsContact O-CB 3.32Å; K159-R163 WeakPolarHBondContact O-CB 3.41Å; K159-R163 WeakPolarHBondContact O-CD 3.39Å; K159-R163 WeakPolarHBondContact O-CG 3.14Å; K159-R163 PolarHBondContact O-N 3.38Å; A161-R163 VanDerWaalsContact C-N 3.33Å; A161-R163 PolarHBondContact O-N 3.48Å |
| 164 | S | 97.2 | Very high | 98.2 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 37% | 0.371 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 2.7 | -178.7 | 75.1 | 0 | 0 | 0 | 0 | 114.1 | N160 A161 V162 S166 K263 | N160-S164 PolarHBondContact O-N 2.89Å; N160-S164 PolarHBondContact O-OG 3.16Å; A161-S164 WeakPolarHBondContact O-CB 3.37Å; A161-S164 PolarHBondContact O-N 3.43Å; A161-S164 PolarHBondContact O-OG 3.19Å; V162-S164 PolarHBondContact O-N 3.07Å; S164-S166 PolarHBondContact O-N 2.99Å; S164-K263 WeakPolarHBondContact OG-CE 3.36Å |
| 165 | F | 98 | Very high | 98.2 | Very high | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.044 | 27% | 0.273 | C | S | . | . | trans | -61.5 | 119.4 | 176.5 | -70.7 | -13.6 | 0 | 0 | 0 | 111.4 | A161 V162 L170 Q171 F218 F225 I227 A259 L260 | A161-F165 WeakPolarHBondContact O-CD1 3.48Å; V162-F165 HydrophobicContact CB-CD2 4.24Å; V162-F165 HydrophobicContact CB-CE2 3.94Å; V162-F165 HydrophobicContact CB-CZ 4.26Å; V162-F165 HydrophobicContact CG1-CE2 3.84Å; V162-F165 HydrophobicContact CG1-CZ 3.87Å; V162-F165 WeakPolarHBondContact O-CG 3.27Å; V162-F165 PolarHBondContact O-N 3.42Å; F165-L170 HydrophobicContact CB-CB 4.31Å; F165-L170 HydrophobicContact CD2-CB 3.73Å; F165-L170 HydrophobicContact CE2-CB 4.29Å; F165-L170 HydrophobicContact CG-CB 4.2Å; F165-Q171 HydrophobicContact CB-CG 4.49Å; F165-Q171 VanDerWaalsContact O-CG 3.28Å; F165-Q171 WeakPolarHBondContact O-CG 3.48Å; F165-Q171 PolarHBondContact O-NE2 3.41Å; F165-Q171 VanDerWaalsContact O-NE2 3.07Å; F165-F218 HydrophobicContact CD2-CE1 4.21Å; F165-F218 AromaticContact CD2-CZ 4Å; F165-F218 HydrophobicContact CD2-CZ 4Å; F165-F218 AromaticContact CE2-CE1 3.9Å; F165-F218 HydrophobicContact CE2-CE1 3.9Å; F165-F218 HydrophobicContact CE2-CZ 4.12Å; F165-F225 AromaticContact CE2-CE1 3.97Å; F165-F225 HydrophobicContact CE2-CE1 3.97Å; F165-I227 HydrophobicContact CE2-CD1 4.35Å; F165-I227 HydrophobicContact CZ-CD1 4.3Å; F165-A259 HydrophobicContact CD1-CB 3.72Å; F165-A259 HydrophobicContact CE1-CB 3.45Å; F165-A259 VanDerWaalsContact CE1-CB 3.45Å; F165-A259 HydrophobicContact CZ-CB 4.22Å; F165-L260 HydrophobicContact CE1-CD2 4.31Å; F165-L260 HydrophobicContact CE1-CG 4.39Å; F165-L260 HydrophobicContact CZ-CD2 4Å; F165-L260 HydrophobicContact CZ-CG 4.06Å | ||
| 166 | S | 96.6 | Very high | 98.1 | Very high | 106 Ų | 106 | 52.6 Ų | 52.6 | 74% | 0.741 | 28% | 0.284 | S | S | * | . | trans | -88.6 | -27.1 | 177 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | S164 P168 | S164-S166 PolarHBondContact O-N 2.99Å; S166-P168 VanDerWaalsContact O-CD 3.29Å; S166-P168 WeakPolarHBondContact O-CD 3.49Å | ||
| 167 | D | 97.5 | Very high | 98.1 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 27% | 0.267 | 27% | 0.274 | S | S | . | . | trans | -66.7 | 116.3 | 176 | -173.8 | -17.3 | 0 | 0 | 0 | 110.2 | E169 L170 Q171 | D167-E169 PolarHBondContact O-N 2.79Å; D167-E169 WeakPolarHBondContact OD1-CB 3.42Å; D167-E169 PolarHBondContact OD1-N 3Å; D167-L170 HydrophobicContact CB-CB 4.24Å; D167-L170 HydrophobicContact CB-CD1 4.04Å; D167-L170 HydrophobicContact CB-CG 4.04Å; D167-L170 PolarHBondContact O-N 3.29Å; D167-Q171 PolarHBondContact O-N 2.81Å; D167-Q171 VanDerWaalsContact O-N 3.13Å | ||
| 168 | P | 98 | Very high | 98 | Very high | 93 Ų | 93 | 53.2 Ų | 53.2 | 60% | 0.604 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -29.1 | 179.1 | -25.2 | 35.6 | 0 | 0 | 0 | 114.2 | S166 L170 | S166-P168 VanDerWaalsContact O-CD 3.29Å; S166-P168 WeakPolarHBondContact O-CD 3.49Å; P168-L170 VanDerWaalsContact C-N 3.27Å; P168-L170 PolarHBondContact O-N 2.79Å |
| 169 | E | 98.1 | Very high | 97.9 | Very high | 78 Ų | 78 | 56.9 Ų | 56.9 | 36% | 0.364 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -30.5 | 176.5 | -172.7 | 179.2 | -170.6 | 0 | 0 | 111.2 | D167 N220 R252 | D167-E169 PolarHBondContact O-N 2.79Å; D167-E169 WeakPolarHBondContact OD1-CB 3.42Å; D167-E169 PolarHBondContact OD1-N 3Å; E169-N220 VanDerWaalsContact O-CB 3.32Å; E169-N220 WeakPolarHBondContact O-CB 3.41Å; E169-N220 PolarHBondContact O-ND2 3.26Å; E169-R252 HydrophobicContact CG-CG 4.36Å; E169-R252 IonicContact OE1-CZ 3.29Å; E169-R252 IonicContact OE1-NE 2.61Å; E169-R252 PolarHBondContact OE1-NE 2.67Å; E169-R252 IonicContact OE1-NH2 2.98Å |
| 170 | L | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 57.1 Ų | 57.1 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -21.6 | -177.8 | -60.4 | -178.7 | 0 | 0 | 0 | 113.3 | F165 D167 P168 F218 F225 R252 N255 A259 | F165-L170 HydrophobicContact CB-CB 4.31Å; F165-L170 HydrophobicContact CD2-CB 3.73Å; F165-L170 HydrophobicContact CE2-CB 4.29Å; F165-L170 HydrophobicContact CG-CB 4.2Å; D167-L170 HydrophobicContact CB-CB 4.24Å; D167-L170 HydrophobicContact CB-CD1 4.04Å; D167-L170 HydrophobicContact CB-CG 4.04Å; D167-L170 PolarHBondContact O-N 3.29Å; P168-L170 VanDerWaalsContact C-N 3.27Å; P168-L170 PolarHBondContact O-N 2.79Å; L170-F218 WeakPolarHBondContact O-CZ 3.48Å; L170-F225 HydrophobicContact CD2-CB 4.39Å; L170-F225 HydrophobicContact CD2-CD1 3.89Å; L170-F225 HydrophobicContact CD2-CD2 4.08Å; L170-F225 HydrophobicContact CD2-CE1 4.14Å; L170-F225 HydrophobicContact CD2-CE2 4.31Å; L170-F225 HydrophobicContact CD2-CG 3.86Å; L170-F225 HydrophobicContact CD2-CZ 4.34Å; L170-R252 HydrophobicContact CD2-CG 4.04Å; L170-N255 HydrophobicContact CD1-CB 4.21Å; L170-A259 HydrophobicContact CD1-CB 4.1Å |
| 171 | Q | 98.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 56.7 Ų | 56.7 | 33% | 0.327 | 32% | 0.32 | S | S | . | . | trans | -58.7 | 137.6 | -179 | -76.8 | -179.3 | -11.7 | 0 | 0 | 112.6 | F165 D167 N220 K221 | F165-Q171 HydrophobicContact CB-CG 4.49Å; F165-Q171 VanDerWaalsContact O-CG 3.28Å; F165-Q171 WeakPolarHBondContact O-CG 3.48Å; F165-Q171 PolarHBondContact O-NE2 3.41Å; F165-Q171 VanDerWaalsContact O-NE2 3.07Å; D167-Q171 PolarHBondContact O-N 2.81Å; D167-Q171 VanDerWaalsContact O-N 3.13Å; Q171-N220 VanDerWaalsContact O-CA 3.29Å; Q171-N220 WeakPolarHBondContact O-CA 3.37Å; Q171-N220 WeakPolarHBondContact O-CB 3.45Å; Q171-K221 PolarHBondContact O-N 3.3Å; Q171-K221 VanDerWaalsContact O-N 3.14Å | ||
| 172 | G | 98.2 | Very high | 97.7 | Very high | 33 Ų | 33 | 62.1 Ų | 62.1 | 34% | 0.34 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | -166.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | F218 H219 | G172-F218 VanDerWaalsContact C-CE2 3.4Å; G172-H219 CarbonylContact C-O 3.57Å; G172-H219 WeakPolarHBondContact CA-O 3.11Å |
| 173 | T | 98.1 | Very high | 97.6 | Very high | 71 Ų | 71 | 69.5 Ų | 69.5 | 44% | 0.436 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 136.5 | 179.9 | -55.6 | 0 | 0 | 0 | 0 | 109.9 | Y175 F218 H219 | T173-Y175 HydrophobicContact CG2-CD1 4.38Å; T173-Y175 HydrophobicContact CG2-CD2 4.23Å; T173-Y175 HydrophobicContact CG2-CE1 3.84Å; T173-Y175 HydrophobicContact CG2-CE2 3.65Å; T173-Y175 VanDerWaalsContact CG2-CZ 3.46Å; T173-Y175 WeakPolarHBondContact O-CE2 3.49Å; T173-F218 WeakPolarHBondContact O-CA 3.33Å; T173-F218 WeakPolarHBondContact O-CD2 3.42Å; T173-H219 PolarHBondContact N-O 3.25Å; T173-H219 PolarHBondContact O-N 3.02Å; T173-H219 VanDerWaalsContact O-N 3.13Å |
| 174 | Y | 98.5 | Very high | 97.6 | Very high | 30 Ų | 30 | 63.7 Ų | 63.7 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 133.9 | 172.4 | -169.8 | -79.5 | 0 | 0 | 0 | 110 | E155 K159 V162 P176 G216 I217 F218 V229 | E155-Y174 HydrophobicContact CG-CE1 4.27Å; E155-Y174 WeakPolarHBondContact CG-OH 3.48Å; K159-Y174 HydrophobicContact CD-CD1 3.84Å; K159-Y174 HydrophobicContact CD-CE1 3.52Å; K159-Y174 HydrophobicContact CD-CE2 4.45Å; K159-Y174 HydrophobicContact CD-CG 4.44Å; K159-Y174 HydrophobicContact CG-CD1 3.54Å; K159-Y174 HydrophobicContact CG-CD2 3.64Å; K159-Y174 HydrophobicContact CG-CE1 3.46Å; K159-Y174 VanDerWaalsContact CG-CE1 3.46Å; K159-Y174 HydrophobicContact CG-CE2 3.57Å; K159-Y174 HydrophobicContact CG-CG 3.65Å; K159-Y174 VanDerWaalsContact CG-CZ 3.48Å; V162-Y174 HydrophobicContact CG2-CD2 4.07Å; Y174-P176 HydrophobicContact CE1-CB 4.32Å; Y174-G216 VanDerWaalsContact OH-CA 3.27Å; Y174-G216 WeakPolarHBondContact OH-CA 3.16Å; Y174-I217 CarbonylContact C-O 3.35Å; Y174-I217 WeakPolarHBondContact CA-O 3.27Å; Y174-F218 HydrophobicContact CD2-CB 3.84Å; Y174-F218 HydrophobicContact CE2-CB 4.49Å; Y174-V229 HydrophobicContact CE2-CG2 3.82Å |
| 175 | Y | 98.2 | Very high | 97.5 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 8% | 0.075 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 104.7 | -179.4 | -54.2 | -95.3 | 0 | 0 | 0 | 108.8 | T173 D184 L188 G216 I217 H219 | T173-Y175 HydrophobicContact CG2-CD1 4.38Å; T173-Y175 HydrophobicContact CG2-CD2 4.23Å; T173-Y175 HydrophobicContact CG2-CE1 3.84Å; T173-Y175 HydrophobicContact CG2-CE2 3.65Å; T173-Y175 VanDerWaalsContact CG2-CZ 3.46Å; T173-Y175 WeakPolarHBondContact O-CE2 3.49Å; Y175-D184 HydrophobicContact CD1-CB 4.17Å; Y175-D184 HydrophobicContact CE1-CB 4.44Å; Y175-L188 HydrophobicContact CD1-CD1 4.41Å; Y175-L188 HydrophobicContact CD2-CD1 4.38Å; Y175-L188 HydrophobicContact CD2-CD2 4.45Å; Y175-L188 HydrophobicContact CG-CD1 4.03Å; Y175-G216 CarbonylContact O-C 3.54Å; Y175-G216 VanDerWaalsContact O-CA 3.27Å; Y175-G216 WeakPolarHBondContact O-CA 3.37Å; Y175-I217 PolarHBondContact N-O 2.75Å; Y175-I217 PolarHBondContact O-N 3.3Å; Y175-H219 AromaticContact CE2-CD2 3.5Å; Y175-H219 VanDerWaalsContact CE2-CD2 3.5Å; Y175-H219 WeakPolarHBondContact CE2-CD2 3.5Å; Y175-H219 AromaticContact CE2-NE2 3.29Å; Y175-H219 VanDerWaalsContact CE2-NE2 3.29Å; Y175-H219 WeakPolarHBondContact CE2-NE2 3.31Å; Y175-H219 AromaticContact CZ-NE2 3.63Å; Y175-H219 PolarHBondContact OH-NE2 3.42Å |
| 176 | P | 98.1 | Very high | 97.4 | Very high | 46 Ų | 46 | 66.9 Ų | 66.9 | 30% | 0.299 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 140.2 | 171.2 | 29.4 | -33.4 | 0 | 0 | 0 | 109.5 | Y174 M180 | Y174-P176 HydrophobicContact CE1-CB 4.32Å; P176-M180 WeakPolarHBondContact O-CB 3.43Å |
| 177 | L | 97.7 | Very high | 97.4 | Very high | 21 Ų | 21 | 65.8 Ų | 65.8 | 11% | 0.11 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -70.9 | -37.3 | 172.6 | -89.4 | 67.7 | 0 | 0 | 0 | 110.8 | G179 M180 L194 F195 W211 P212 R215 I217 | L177-G179 PolarHBondContact O-N 3.37Å; L177-M180 HydrophobicContact CD1-CE 4.07Å; L177-M180 HydrophobicContact CG-CE 4.27Å; L177-M180 PolarHBondContact O-N 3.16Å; L177-L194 HydrophobicContact CD1-CD1 4.42Å; L177-L194 HydrophobicContact CG-CD1 4.36Å; L177-F195 HydrophobicContact CD1-CE1 4.26Å; L177-F195 HydrophobicContact CD1-CZ 3.93Å; L177-F195 HydrophobicContact CD2-CD2 4.41Å; L177-F195 HydrophobicContact CD2-CE2 3.75Å; L177-F195 HydrophobicContact CD2-CZ 3.99Å; L177-W211 HydrophobicContact CD2-CH2 3.91Å; L177-W211 HydrophobicContact CD2-CZ2 3.7Å; L177-P212 HydrophobicContact CB-CB 3.96Å; L177-R215 HydrophobicContact CB-CB 4.12Å; L177-R215 HydrophobicContact CD1-CB 4.37Å; L177-R215 HydrophobicContact CD2-CB 3.92Å; L177-R215 HydrophobicContact CG-CB 4.36Å; L177-R215 PolarHBondContact N-O 2.8Å; L177-I217 HydrophobicContact CD1-CD1 4Å; L177-I217 HydrophobicContact CD1-CG1 3.99Å |
| 178 | R | 96.8 | Very high | 97.4 | Very high | 150 Ų | 150 | 63.4 Ų | 63.4 | 57% | 0.566 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | 116.2 | 173.3 | -175.6 | -178.5 | -179.6 | 170 | 1.2 | 109.7 | M180 | R178-M180 VanDerWaalsContact C-N 3.32Š|
| 179 | G | 95.9 | Very high | 97.2 | Very high | 78 Ų | 78 | 62.9 Ų | 62.9 | 80% | 0.804 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78 | 13.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | L177 N181 | L177-G179 PolarHBondContact O-N 3.37Å; G179-N181 PolarHBondContact O-N 3.01Å |
| 180 | M | 97.1 | Very high | 97 | Very high | 29 Ų | 29 | 65 Ų | 65 | 14% | 0.143 | 35% | 0.348 | C | S | . | . | trans | -57.6 | 124.6 | 172.7 | -171.2 | 179.1 | -74 | 0 | 0 | 110.1 | P176 L177 R178 D184 K185 L188 L194 | P176-M180 WeakPolarHBondContact O-CB 3.43Å; L177-M180 HydrophobicContact CD1-CE 4.07Å; L177-M180 HydrophobicContact CG-CE 4.27Å; L177-M180 PolarHBondContact O-N 3.16Å; R178-M180 VanDerWaalsContact C-N 3.32Å; M180-D184 HydrophobicContact CG-CB 4.07Å; M180-K185 HydrophobicContact CG-CB 4.09Å; M180-K185 VanDerWaalsContact SD-CA 3.57Å; M180-K185 HydrophobicContact SD-CB 3.76Å; M180-K185 HydrophobicContact SD-CG 4.31Å; M180-L188 HydrophobicContact CE-CD1 3.54Å; M180-L188 HydrophobicContact SD-CD1 3.92Å; M180-L194 HydrophobicContact CE-CD1 4.12Å; M180-L194 HydrophobicContact SD-CD1 4.14Å | ||
| 181 | N | 97.1 | Very high | 96.8 | Very high | 78 Ų | 78 | 66.8 Ų | 66.8 | 42% | 0.417 | 36% | 0.358 | S | S | . | . | trans | -72.9 | 159.7 | 175.7 | 66.8 | 63 | 0 | 0 | 0 | 110.9 | G179 Q183 D184 K185 | G179-N181 PolarHBondContact O-N 3.01Å; N181-Q183 VanDerWaalsContact C-N 3.25Å; N181-Q183 PolarHBondContact O-N 2.72Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.42Å; N181-Q183 PolarHBondContact OD1-N 3.38Å; N181-Q183 VanDerWaalsContact OD1-N 3.12Å; N181-D184 PolarHBondContact ND2-OD2 3.11Å; N181-D184 PolarHBondContact O-N 3.49Å; N181-D184 PolarHBondContact OD1-N 3.16Å; N181-D184 PolarHBondContact OD1-OD2 3.36Å; N181-K185 WeakPolarHBondContact O-CB 3.4Å; N181-K185 PolarHBondContact O-N 3.21Å | ||
| 182 | E | 96.2 | Very high | 96.4 | Very high | 117 Ų | 117 | 71.5 Ų | 71.5 | 55% | 0.547 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.9 | -25.3 | -175.5 | -70.2 | -59.9 | 133.9 | 0 | 0 | 113.8 | K185 S186 | E182-K185 IonicContact OE1-NZ 2.9Å; E182-K185 PolarHBondContact OE1-NZ 2.94Å; E182-K185 IonicContact OE2-NZ 3.09Å; E182-K185 PolarHBondContact OE2-NZ 3.3Å; E182-K185 VanDerWaalsContact OE2-NZ 3.09Å; E182-S186 WeakPolarHBondContact O-CB 3.34Å; E182-S186 PolarHBondContact O-N 2.92Å; E182-S186 PolarHBondContact O-OG 2.97Å |
| 183 | Q | 97.4 | Very high | 96.3 | Very high | 160 Ų | 160 | 70.4 Ų | 70.4 | 75% | 0.748 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -68 | -52.1 | 176.5 | -178.3 | -179.2 | 4.2 | 0 | 0 | 110.9 | N181 K185 S186 K187 | N181-Q183 VanDerWaalsContact C-N 3.25Å; N181-Q183 PolarHBondContact O-N 2.72Å; N181-Q183 WeakPolarHBondContact OD1-CB 3.42Å; N181-Q183 PolarHBondContact OD1-N 3.38Å; N181-Q183 VanDerWaalsContact OD1-N 3.12Å; Q183-K185 VanDerWaalsContact C-N 3.32Å; Q183-K185 PolarHBondContact O-N 3.32Å; Q183-S186 PolarHBondContact O-N 2.91Å; Q183-K187 WeakPolarHBondContact O-CB 3.4Å; Q183-K187 PolarHBondContact O-N 3.16Å |
| 184 | D | 97.1 | Very high | 96.1 | Very high | 44 Ų | 44 | 69 Ų | 69 | 24% | 0.235 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.5 | -40.7 | 177.1 | -72.7 | -33.9 | 0 | 0 | 0 | 111.1 | Y175 M180 N181 K187 L188 | Y175-D184 HydrophobicContact CD1-CB 4.17Å; Y175-D184 HydrophobicContact CE1-CB 4.44Å; M180-D184 HydrophobicContact CG-CB 4.07Å; N181-D184 PolarHBondContact ND2-OD2 3.11Å; N181-D184 PolarHBondContact O-N 3.49Å; N181-D184 PolarHBondContact OD1-N 3.16Å; N181-D184 PolarHBondContact OD1-OD2 3.36Å; D184-K187 PolarHBondContact O-N 3.43Å; D184-L188 WeakPolarHBondContact O-CB 3.33Å; D184-L188 VanDerWaalsContact O-CG 3.31Å; D184-L188 WeakPolarHBondContact O-CG 3.46Å; D184-L188 PolarHBondContact O-N 2.93Å |
| 185 | K | 96.1 | Very high | 95.8 | Very high | 73 Ų | 73 | 68 Ų | 68 | 32% | 0.317 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -49.2 | 176.2 | -177.9 | 179.3 | 165.4 | -156.8 | 0 | 111.9 | M180 N181 E182 Q183 K187 L188 I189 L194 | M180-K185 HydrophobicContact CG-CB 4.09Å; M180-K185 VanDerWaalsContact SD-CA 3.57Å; M180-K185 HydrophobicContact SD-CB 3.76Å; M180-K185 HydrophobicContact SD-CG 4.31Å; N181-K185 WeakPolarHBondContact O-CB 3.4Å; N181-K185 PolarHBondContact O-N 3.21Å; E182-K185 IonicContact OE1-NZ 2.9Å; E182-K185 PolarHBondContact OE1-NZ 2.94Å; E182-K185 IonicContact OE2-NZ 3.09Å; E182-K185 PolarHBondContact OE2-NZ 3.3Å; E182-K185 VanDerWaalsContact OE2-NZ 3.09Å; Q183-K185 VanDerWaalsContact C-N 3.32Å; Q183-K185 PolarHBondContact O-N 3.32Å; K185-K187 VanDerWaalsContact C-N 3.34Å; K185-K187 PolarHBondContact O-N 2.79Å; K185-L188 PolarHBondContact O-N 2.95Å; K185-I189 HydrophobicContact CG-CD1 4.03Å; K185-I189 VanDerWaalsContact O-CG1 3.26Å; K185-I189 WeakPolarHBondContact O-CG1 3.27Å; K185-I189 PolarHBondContact O-N 3.13Å; K185-L194 HydrophobicContact CG-CD2 3.84Å |
| 186 | S | 96.4 | Very high | 95.4 | Very high | 56 Ų | 56 | 75.7 Ų | 75.7 | 39% | 0.392 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 178.9 | -69 | 0 | 0 | 0 | 0 | 111.6 | E182 Q183 I189 N190 | E182-S186 WeakPolarHBondContact O-CB 3.34Å; E182-S186 PolarHBondContact O-N 2.92Å; E182-S186 PolarHBondContact O-OG 2.97Å; Q183-S186 PolarHBondContact O-N 2.91Å; S186-I189 PolarHBondContact O-N 3.07Å; S186-N190 WeakPolarHBondContact O-CB 3.32Å; S186-N190 PolarHBondContact O-N 3.18Å; S186-N190 PolarHBondContact O-ND2 3.33Å |
| 187 | K | 96 | Very high | 95.1 | Very high | 83 Ų | 83 | 78 Ų | 78 | 36% | 0.361 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -59.2 | -50.4 | 173.5 | -178.2 | -174.9 | 174.4 | -167.3 | 0 | 111.7 | Q183 D184 K185 I189 N190 D191 | Q183-K187 WeakPolarHBondContact O-CB 3.4Å; Q183-K187 PolarHBondContact O-N 3.16Å; D184-K187 PolarHBondContact O-N 3.43Å; K185-K187 VanDerWaalsContact C-N 3.34Å; K185-K187 PolarHBondContact O-N 2.79Å; K187-I189 VanDerWaalsContact C-N 3.32Å; K187-I189 PolarHBondContact O-N 3.44Å; K187-N190 PolarHBondContact O-N 3.34Å; K187-D191 WeakPolarHBondContact O-CB 3.27Å; K187-D191 VanDerWaalsContact O-CG 3.28Å; K187-D191 PolarHBondContact O-N 2.79Å |
| 188 | L | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -67.9 | -29.2 | -179.6 | -68.7 | 170.5 | 0 | 0 | 0 | 113.1 | Y175 M180 D184 K185 H192 F193 L194 I217 | Y175-L188 HydrophobicContact CD1-CD1 4.41Å; Y175-L188 HydrophobicContact CD2-CD1 4.38Å; Y175-L188 HydrophobicContact CD2-CD2 4.45Å; Y175-L188 HydrophobicContact CG-CD1 4.03Å; M180-L188 HydrophobicContact CE-CD1 3.54Å; M180-L188 HydrophobicContact SD-CD1 3.92Å; D184-L188 WeakPolarHBondContact O-CB 3.33Å; D184-L188 VanDerWaalsContact O-CG 3.31Å; D184-L188 WeakPolarHBondContact O-CG 3.46Å; D184-L188 PolarHBondContact O-N 2.93Å; K185-L188 PolarHBondContact O-N 2.95Å; L188-H192 PolarHBondContact O-N 2.96Å; L188-F193 HydrophobicContact CD2-CB 3.93Å; L188-F193 HydrophobicContact CD2-CD2 4.23Å; L188-F193 PolarHBondContact O-N 2.76Å; L188-L194 HydrophobicContact CB-CB 3.91Å; L188-L194 PolarHBondContact O-N 2.96Å; L188-I217 HydrophobicContact CD1-CD1 4.22Å; L188-I217 HydrophobicContact CD2-CG2 4.33Å |
| 189 | I | 94.3 | Very high | 94.6 | Very high | 83 Ų | 83 | 74.2 Ų | 74.2 | 43% | 0.426 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -66.1 | -48.9 | 170.6 | -71.6 | 167.1 | 0 | 0 | 0 | 110.3 | K185 S186 K187 D191 H192 L194 | K185-I189 HydrophobicContact CG-CD1 4.03Å; K185-I189 VanDerWaalsContact O-CG1 3.26Å; K185-I189 WeakPolarHBondContact O-CG1 3.27Å; K185-I189 PolarHBondContact O-N 3.13Å; S186-I189 PolarHBondContact O-N 3.07Å; K187-I189 VanDerWaalsContact C-N 3.32Å; K187-I189 PolarHBondContact O-N 3.44Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 2.87Å; I189-H192 WeakPolarHBondContact O-CA 3.34Å; I189-H192 PolarHBondContact O-N 3.26Å; I189-L194 HydrophobicContact CD1-CD2 3.92Å; I189-L194 HydrophobicContact CG1-CB 4.06Å; I189-L194 HydrophobicContact CG1-CD2 3.52Å; I189-L194 HydrophobicContact CG1-CG 4.41Å |
| 190 | N | 93.7 | Very high | 94.6 | Very high | 121 Ų | 121 | 75.3 Ų | 75.3 | 65% | 0.647 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -65.7 | -33.5 | -179.1 | -69.6 | -17.2 | 0 | 0 | 0 | 112.4 | S186 K187 H192 | S186-N190 WeakPolarHBondContact O-CB 3.32Å; S186-N190 PolarHBondContact O-N 3.18Å; S186-N190 PolarHBondContact O-ND2 3.33Å; K187-N190 PolarHBondContact O-N 3.34Å; N190-H192 PolarHBondContact O-N 3.16Å |
| 191 | D | 93.6 | Very high | 94.6 | Very high | 41 Ų | 41 | 76 Ų | 76 | 22% | 0.219 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -3 | 173.6 | -68.9 | -29.9 | 0 | 0 | 0 | 112.7 | K187 I189 F193 K223 | K187-D191 WeakPolarHBondContact O-CB 3.27Å; K187-D191 VanDerWaalsContact O-CG 3.28Å; K187-D191 PolarHBondContact O-N 2.79Å; I189-D191 VanDerWaalsContact C-N 3.29Å; I189-D191 PolarHBondContact O-N 2.87Å; D191-F193 HydrophobicContact CB-CB 4.49Å; D191-F193 HydrophobicContact CB-CD1 4.39Å; D191-F193 HydrophobicContact CB-CD2 3.78Å; D191-F193 HydrophobicContact CB-CE2 4.07Å; D191-F193 HydrophobicContact CB-CG 3.96Å; D191-F193 HydrophobicContact CB-CZ 4.49Å; D191-F193 WeakPolarHBondContact O-CD1 3.37Å; D191-F193 VanDerWaalsContact O-CE1 3.29Å; D191-F193 WeakPolarHBondContact O-CE1 3.42Å; D191-F193 PolarHBondContact O-N 3.38Å; D191-K223 IonicContact OD1-NZ 2.68Å; D191-K223 PolarHBondContact OD1-NZ 3.37Å; D191-K223 WeakPolarHBondContact OD2-CE 3.32Å; D191-K223 IonicContact OD2-NZ 2.75Å; D191-K223 PolarHBondContact OD2-NZ 2.87Å |
| 192 | H | 91.7 | Very high | 94.6 | Very high | 169 Ų | 169 | 72.9 Ų | 72.9 | 78% | 0.782 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | 29.9 | -174.2 | -56 | -71.3 | 0 | 0 | 0 | 114.2 | L188 I189 N190 | L188-H192 PolarHBondContact O-N 2.96Å; I189-H192 WeakPolarHBondContact O-CA 3.34Å; I189-H192 PolarHBondContact O-N 3.26Å; N190-H192 PolarHBondContact O-N 3.16Å |
| 193 | F | 95 | Very high | 94.6 | Very high | 9 Ų | 9 | 72 Ų | 72 | 4% | 0.039 | 35% | 0.346 | C | S | . | . | trans | -100.5 | -25.9 | -178.2 | -67.8 | -9.8 | 0 | 0 | 0 | 113.9 | L188 D191 F195 I217 H219 K223 L226 W228 M240 | L188-F193 HydrophobicContact CD2-CB 3.93Å; L188-F193 HydrophobicContact CD2-CD2 4.23Å; L188-F193 PolarHBondContact O-N 2.76Å; D191-F193 HydrophobicContact CB-CB 4.49Å; D191-F193 HydrophobicContact CB-CD1 4.39Å; D191-F193 HydrophobicContact CB-CD2 3.78Å; D191-F193 HydrophobicContact CB-CE2 4.07Å; D191-F193 HydrophobicContact CB-CG 3.96Å; D191-F193 HydrophobicContact CB-CZ 4.49Å; D191-F193 WeakPolarHBondContact O-CD1 3.37Å; D191-F193 VanDerWaalsContact O-CE1 3.29Å; D191-F193 WeakPolarHBondContact O-CE1 3.42Å; D191-F193 PolarHBondContact O-N 3.38Å; F193-F195 PolarHBondContact O-N 3.49Å; F193-F195 VanDerWaalsContact O-N 3.15Å; F193-I217 WeakPolarHBondContact O-CD1 3.37Å; F193-H219 HydrophobicContact CD2-CB 4.31Å; F193-H219 AromaticContact CD2-CD2 3.95Å; F193-H219 HydrophobicContact CE2-CB 4.15Å; F193-K223 HydrophobicContact CE2-CB 3.81Å; F193-K223 HydrophobicContact CE2-CD 4.15Å; F193-K223 HydrophobicContact CE2-CG 3.9Å; F193-K223 HydrophobicContact CZ-CB 3.75Å; F193-K223 HydrophobicContact CZ-CG 4.33Å; F193-L226 HydrophobicContact CB-CD1 4.11Å; F193-L226 HydrophobicContact CB-CD2 4.49Å; F193-L226 HydrophobicContact CD1-CD1 4.44Å; F193-L226 HydrophobicContact CD1-CD2 3.89Å; F193-L226 HydrophobicContact CD2-CD1 4.15Å; F193-L226 HydrophobicContact CE1-CD2 4.34Å; F193-L226 HydrophobicContact CG-CD1 4Å; F193-L226 HydrophobicContact CG-CD2 4.22Å; F193-W228 PolarHBondContact O-NE1 3.47Å; F193-M240 HydrophobicContact CE1-CE 4.24Å; F193-M240 HydrophobicContact CE1-SD 4.25Å | ||
| 194 | L | 94 | Very high | 94.7 | Very high | 41 Ų | 41 | 65.2 Ų | 65.2 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | trans | -71 | 108.1 | 178.5 | -169.3 | 64.2 | 0 | 0 | 0 | 110.5 | L177 M180 K185 L188 I189 I217 | L177-L194 HydrophobicContact CD1-CD1 4.42Å; L177-L194 HydrophobicContact CG-CD1 4.36Å; M180-L194 HydrophobicContact CE-CD1 4.12Å; M180-L194 HydrophobicContact SD-CD1 4.14Å; K185-L194 HydrophobicContact CG-CD2 3.84Å; L188-L194 HydrophobicContact CB-CB 3.91Å; L188-L194 PolarHBondContact O-N 2.96Å; I189-L194 HydrophobicContact CD1-CD2 3.92Å; I189-L194 HydrophobicContact CG1-CB 4.06Å; I189-L194 HydrophobicContact CG1-CD2 3.52Å; I189-L194 HydrophobicContact CG1-CG 4.41Å; L194-I217 HydrophobicContact CB-CD1 4.39Å; L194-I217 HydrophobicContact CD1-CD1 3.52Å; L194-I217 HydrophobicContact CG-CD1 4.5Å | ||
| 195 | F | 93.1 | Very high | 94.7 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 5% | 0.048 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 150.4 | 167.3 | 60.6 | -95.5 | 0 | 0 | 0 | 110.5 | L177 F193 W211 R215 I217 W228 E231 | L177-F195 HydrophobicContact CD1-CE1 4.26Å; L177-F195 HydrophobicContact CD1-CZ 3.93Å; L177-F195 HydrophobicContact CD2-CD2 4.41Å; L177-F195 HydrophobicContact CD2-CE2 3.75Å; L177-F195 HydrophobicContact CD2-CZ 3.99Å; F193-F195 PolarHBondContact O-N 3.49Å; F193-F195 VanDerWaalsContact O-N 3.15Å; F195-W211 AromaticContact CD2-CH2 3.64Å; F195-W211 HydrophobicContact CD2-CH2 3.64Å; F195-W211 HydrophobicContact CD2-CZ3 4.35Å; F195-W211 AromaticContact CE2-CH2 3.48Å; F195-W211 HydrophobicContact CE2-CH2 3.48Å; F195-W211 VanDerWaalsContact CE2-CH2 3.48Å; F195-W211 HydrophobicContact CE2-CZ2 4.49Å; F195-W211 AromaticContact CE2-CZ3 3.94Å; F195-W211 HydrophobicContact CE2-CZ3 3.94Å; F195-R215 HydrophobicContact CE2-CB 4.27Å; F195-R215 HydrophobicContact CE2-CG 4.22Å; F195-R215 HydrophobicContact CZ-CB 4.11Å; F195-R215 HydrophobicContact CZ-CG 4.39Å; F195-I217 HydrophobicContact CD1-CD1 3.91Å; F195-I217 HydrophobicContact CD1-CG1 3.72Å; F195-I217 HydrophobicContact CE1-CD1 3.96Å; F195-I217 HydrophobicContact CE1-CG1 3.38Å; F195-I217 HydrophobicContact CZ-CG1 4.38Å; F195-W228 HydrophobicContact CB-CD2 4.1Å; F195-W228 HydrophobicContact CB-CE3 4Å; F195-W228 HydrophobicContact CB-CH2 3.98Å; F195-W228 HydrophobicContact CB-CZ2 4.05Å; F195-W228 HydrophobicContact CB-CZ3 3.94Å; F195-W228 HydrophobicContact CD1-CB 3.85Å; F195-W228 AromaticContact CD1-CD1 3.57Å; F195-W228 AromaticContact CD1-CD2 3.54Å; F195-W228 HydrophobicContact CD1-CD2 3.54Å; F195-W228 AromaticContact CD1-CE2 3.81Å; F195-W228 HydrophobicContact CD1-CE3 4.12Å; F195-W228 AromaticContact CD1-CG 3.41Å; F195-W228 HydrophobicContact CD1-CG 3.41Å; F195-W228 VanDerWaalsContact CD1-CG 3.41Å; F195-W228 AromaticContact CD1-NE1 3.75Å; F195-W228 HydrophobicContact CE1-CB 3.67Å; F195-W228 AromaticContact CE1-CD1 3.89Å; F195-W228 HydrophobicContact CE1-CD2 4.31Å; F195-W228 AromaticContact CE1-CG 3.71Å; F195-W228 HydrophobicContact CE1-CG 3.71Å; F195-W228 HydrophobicContact CG-CD2 4.15Å; F195-W228 HydrophobicContact CG-CE3 4.29Å; F195-W228 HydrophobicContact CG-CG 4.4Å; F195-E231 HydrophobicContact CB-CG 3.86Å; F195-E231 HydrophobicContact CD1-CB 4.33Å; F195-E231 HydrophobicContact CD1-CG 4.19Å; F195-E231 HydrophobicContact CD2-CB 3.78Å; F195-E231 HydrophobicContact CD2-CG 3.33Å; F195-E231 HydrophobicContact CE1-CB 4.24Å; F195-E231 HydrophobicContact CE2-CB 3.71Å; F195-E231 HydrophobicContact CE2-CG 3.82Å; F195-E231 HydrophobicContact CG-CB 4.11Å; F195-E231 HydrophobicContact CG-CG 3.55Å; F195-E231 HydrophobicContact CZ-CB 3.95Å; F195-E231 HydrophobicContact CZ-CG 4.41Å |
| 196 | K | 90 | Very high | 94.8 | Very high | 179 Ų | 179 | 62.5 Ų | 62.5 | 78% | 0.778 | 30% | 0.304 | S | S | * | . | P | Polyproline II helix | trans | -97 | 169.2 | 177.9 | -63.8 | -178.7 | -178.2 | 178.2 | 0 | 109.7 | W211 | K196-W211 WeakPolarHBondContact O-CH2 3.24Š|
| 197 | E | 90.1 | Very high | 94.8 | Very high | 95 Ų | 95 | 59.9 Ų | 59.9 | 44% | 0.444 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 145.4 | 167.1 | -171.8 | 173.4 | -173.8 | 0 | 0 | 110.1 | C208 W211 | E197-C208 HydrophobicContact CG-CB 3.9Å; E197-C208 WeakPolarHBondContact OE1-CB 3.47Å; E197-W211 HydrophobicContact CB-CD2 4.11Å; E197-W211 HydrophobicContact CB-CH2 4.39Å; E197-W211 HydrophobicContact CB-CZ2 3.99Å; E197-W211 HydrophobicContact CG-CD2 4.02Å; E197-W211 HydrophobicContact CG-CE3 4.34Å; E197-W211 HydrophobicContact CG-CG 4.16Å |
| 198 | G | 89.6 | Confident | 94.9 | Very high | 8 Ų | 8 | 56.6 Ų | 56.6 | 8% | 0.082 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 155.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q203 C208 | G198-Q203 PolarHBondContact O-NE2 3.29Å; G198-C208 PolarHBondContact N-SG 3.17Å; G198-C208 VanDerWaalsContact N-SG 3.41Å |
| 199 | D | 94.3 | Very high | 94.9 | Very high | 83 Ų | 83 | 59.3 Ų | 59.3 | 44% | 0.444 | 29% | 0.288 | S | S | . | . | trans | -67.1 | 178.7 | 177 | 67.6 | 25.8 | 0 | 0 | 0 | 112.8 | F201 L202 Q203 | D199-F201 PolarHBondContact O-N 3.16Å; D199-F201 VanDerWaalsContact O-N 3.16Å; D199-F201 WeakPolarHBondContact OD1-CA 3.48Å; D199-F201 VanDerWaalsContact OD1-CB 3.29Å; D199-F201 WeakPolarHBondContact OD1-CB 3.47Å; D199-F201 PolarHBondContact OD1-N 2.82Å; D199-L202 PolarHBondContact O-N 3.36Å; D199-L202 VanDerWaalsContact O-N 3.13Å; D199-L202 PolarHBondContact OD1-N 3.01Å; D199-Q203 WeakPolarHBondContact O-CB 3.34Å; D199-Q203 VanDerWaalsContact O-CG 3.27Å; D199-Q203 WeakPolarHBondContact O-CG 3.28Å; D199-Q203 PolarHBondContact O-N 3.41Å | ||
| 200 | R | 96.7 | Very high | 95 | Very high | 102 Ų | 102 | 60.4 Ų | 60.4 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -59.4 | -25.4 | 179.3 | 66.6 | -179.2 | 172.8 | 93.7 | 3.8 | 114.5 | N65 D67 A204 | N65-R200 VanDerWaalsContact CB-NH1 3.28Å; N65-R200 VanDerWaalsContact CG-NH1 3.32Å; N65-R200 PolarHBondContact ND2-O 2.88Å; N65-R200 WeakPolarHBondContact OD1-CD 3.46Å; N65-R200 WeakPolarHBondContact OD1-CG 3.45Å; N65-R200 PolarHBondContact OD1-NH1 3.13Å; D67-R200 IonicContact OD1-CZ 2.79Å; D67-R200 VanDerWaalsContact OD1-CZ 3.29Å; D67-R200 IonicContact OD1-NH1 3.61Å; D67-R200 PolarHBondContact OD1-NH1 3.24Å; D67-R200 IonicContact OD1-NH2 3.11Å; D67-R200 PolarHBondContact OD1-NH2 3.17Å; D67-R200 IonicContact OD2-CZ 2.67Å; D67-R200 IonicContact OD2-NH1 2.75Å; D67-R200 IonicContact OD2-NH2 3.3Å; D67-R200 PolarHBondContact OD2-NH2 3.05Å; R200-A204 VanDerWaalsContact O-CB 3.25Å; R200-A204 WeakPolarHBondContact O-CB 3.42Å; R200-A204 PolarHBondContact O-N 3.25Å |
| 201 | F | 97 | Very high | 95.1 | Very high | 42 Ų | 42 | 57.8 Ų | 57.8 | 18% | 0.184 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -73.1 | -46.1 | 176.3 | -54.3 | -78.5 | 0 | 0 | 0 | 109.6 | S61 N65 D199 A204 A205 | S61-F201 WeakPolarHBondContact OG-CA 3.28Å; S61-F201 PolarHBondContact OG-O 3.1Å; N65-F201 HydrophobicContact CB-CD1 3.44Å; N65-F201 VanDerWaalsContact CB-CD1 3.44Å; N65-F201 HydrophobicContact CB-CE1 3.54Å; D199-F201 PolarHBondContact O-N 3.16Å; D199-F201 VanDerWaalsContact O-N 3.16Å; D199-F201 WeakPolarHBondContact OD1-CA 3.48Å; D199-F201 VanDerWaalsContact OD1-CB 3.29Å; D199-F201 WeakPolarHBondContact OD1-CB 3.47Å; D199-F201 PolarHBondContact OD1-N 2.82Å; F201-A204 PolarHBondContact O-N 3.44Å; F201-A205 VanDerWaalsContact O-CB 3.29Å; F201-A205 WeakPolarHBondContact O-CB 3.36Å; F201-A205 PolarHBondContact O-N 2.94Å |
| 202 | L | 96.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 58 Ų | 58 | 7% | 0.068 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 175.5 | -70.5 | -176.9 | 0 | 0 | 0 | 112.2 | Y73 D199 A205 K206 A207 E232 F277 | Y73-L202 HydrophobicContact CE1-CD2 3.97Å; D199-L202 PolarHBondContact O-N 3.36Å; D199-L202 VanDerWaalsContact O-N 3.13Å; D199-L202 PolarHBondContact OD1-N 3.01Å; L202-A205 CarbonylContact O-C 3.51Å; L202-A205 WeakPolarHBondContact O-CA 3.31Å; L202-A205 PolarHBondContact O-N 3.41Å; L202-K206 PolarHBondContact O-N 3.13Å; L202-K206 VanDerWaalsContact O-N 3.16Å; L202-A207 HydrophobicContact CB-CB 3.95Å; L202-A207 HydrophobicContact CD2-CB 4.24Å; L202-A207 VanDerWaalsContact O-CB 3.31Å; L202-A207 WeakPolarHBondContact O-CB 3.42Å; L202-A207 PolarHBondContact O-N 2.89Å; L202-E232 HydrophobicContact CD1-CG 4.46Å; L202-E232 HydrophobicContact CD2-CG 3.91Å; L202-F277 HydrophobicContact CD2-CD1 4.43Å; L202-F277 HydrophobicContact CD2-CE1 4.07Å |
| 203 | Q | 97.6 | Very high | 95.6 | Very high | 98 Ų | 98 | 51.1 Ų | 51.1 | 46% | 0.458 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -60.6 | -49.8 | 173.1 | -70.7 | 170.5 | 10.8 | 0 | 0 | 111.4 | G198 D199 A205 K206 C208 | G198-Q203 PolarHBondContact O-NE2 3.29Å; D199-Q203 WeakPolarHBondContact O-CB 3.34Å; D199-Q203 VanDerWaalsContact O-CG 3.27Å; D199-Q203 WeakPolarHBondContact O-CG 3.28Å; D199-Q203 PolarHBondContact O-N 3.41Å; Q203-A205 PolarHBondContact O-N 2.78Å; Q203-K206 WeakPolarHBondContact O-CA 3.49Å; Q203-K206 PolarHBondContact O-N 3.33Å; Q203-C208 HydrophobicContact CG-CB 4.02Å; Q203-C208 VanDerWaalsContact CG-SG 3.56Å |
| 204 | A | 97.7 | Very high | 95.7 | Very high | 18 Ų | 18 | 50.7 Ų | 50.7 | 15% | 0.149 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -21.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q60 V64 N65 R200 F201 K206 | Q60-A204 WeakPolarHBondContact CG-O 3.21Å; Q60-A204 PolarHBondContact NE2-O 3.12Å; V64-A204 HydrophobicContact CB-CB 3.91Å; V64-A204 HydrophobicContact CG1-CB 4.09Å; V64-A204 HydrophobicContact CG2-CB 4.28Å; N65-A204 VanDerWaalsContact ND2-CB 3.25Å; N65-A204 WeakPolarHBondContact ND2-CB 3.24Å; R200-A204 VanDerWaalsContact O-CB 3.25Å; R200-A204 WeakPolarHBondContact O-CB 3.42Å; R200-A204 PolarHBondContact O-N 3.25Å; F201-A204 PolarHBondContact O-N 3.44Å; A204-K206 VanDerWaalsContact C-N 3.3Å |
| 205 | A | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 9.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y73 P144 F201 L202 Q203 A207 F277 | Y73-A205 HydrophobicContact CD2-CB 3.55Å; Y73-A205 HydrophobicContact CE2-CB 3.93Å; Y73-A205 HydrophobicContact CG-CB 3.88Å; P144-A205 WeakPolarHBondContact CG-O 3.43Å; F201-A205 VanDerWaalsContact O-CB 3.29Å; F201-A205 WeakPolarHBondContact O-CB 3.36Å; F201-A205 PolarHBondContact O-N 2.94Å; L202-A205 CarbonylContact O-C 3.51Å; L202-A205 WeakPolarHBondContact O-CA 3.31Å; L202-A205 PolarHBondContact O-N 3.41Å; Q203-A205 PolarHBondContact O-N 2.78Å; A205-A207 PolarHBondContact O-N 3.46Å; A205-F277 HydrophobicContact CB-CE1 3.95Å; A205-F277 HydrophobicContact CB-CZ 3.5Å; A205-F277 WeakPolarHBondContact O-CZ 3.34Å |
| 206 | K | 97.9 | Very high | 96.2 | Very high | 60 Ų | 60 | 48.2 Ų | 48.2 | 26% | 0.261 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.1 | 14.1 | -179.6 | -67 | 163.6 | -176.7 | 173.3 | 0 | 115.4 | D57 Q60 P144 L202 Q203 A204 C208 N209 | D57-K206 IonicContact OD1-NZ 3.71Å; D57-K206 PolarHBondContact OD1-NZ 2.87Å; Q60-K206 VanDerWaalsContact OE1-CE 3.27Å; P144-K206 HydrophobicContact CB-CD 4.09Å; L202-K206 PolarHBondContact O-N 3.13Å; L202-K206 VanDerWaalsContact O-N 3.16Å; Q203-K206 WeakPolarHBondContact O-CA 3.49Å; Q203-K206 PolarHBondContact O-N 3.33Å; A204-K206 VanDerWaalsContact C-N 3.3Å; K206-C208 PolarHBondContact O-N 2.73Å; K206-N209 WeakPolarHBondContact O-CB 3.49Å; K206-N209 PolarHBondContact O-N 2.86Å |
| 207 | A | 97.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -22.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | N143 L202 A205 R215 F277 | N143-A207 HydrophobicContact CB-CB 4.11Å; L202-A207 HydrophobicContact CB-CB 3.95Å; L202-A207 HydrophobicContact CD2-CB 4.24Å; L202-A207 VanDerWaalsContact O-CB 3.31Å; L202-A207 WeakPolarHBondContact O-CB 3.42Å; L202-A207 PolarHBondContact O-N 2.89Å; A205-A207 PolarHBondContact O-N 3.46Å; A207-R215 PolarHBondContact O-NH2 3.32Å; A207-F277 HydrophobicContact CB-CE1 3.93Å |
| 208 | C | 96.7 | Very high | 97 | Very high | 14 Ų | 14 | 35.3 Ų | 35.3 | 10% | 0.095 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 6.7 | -178.8 | -54.5 | 0 | 0 | 0 | 0 | 113.2 | E197 G198 Q203 K206 Y210 W211 | E197-C208 HydrophobicContact CG-CB 3.9Å; E197-C208 WeakPolarHBondContact OE1-CB 3.47Å; G198-C208 PolarHBondContact N-SG 3.17Å; G198-C208 VanDerWaalsContact N-SG 3.41Å; Q203-C208 HydrophobicContact CG-CB 4.02Å; Q203-C208 VanDerWaalsContact CG-SG 3.56Å; K206-C208 PolarHBondContact O-N 2.73Å; C208-Y210 PolarHBondContact O-N 3.09Å; C208-W211 VanDerWaalsContact O-CB 3.29Å; C208-W211 WeakPolarHBondContact O-CB 3.42Å; C208-W211 PolarHBondContact O-N 3.48Å |
| 209 | N | 97.2 | Very high | 97.4 | Very high | 57 Ų | 57 | 35.3 Ų | 35.3 | 31% | 0.305 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | 138.7 | 178.1 | -79.1 | -0.7 | 0 | 0 | 0 | 111.2 | K206 W211 R215 | K206-N209 WeakPolarHBondContact O-CB 3.49Å; K206-N209 PolarHBondContact O-N 2.86Å; N209-W211 PolarHBondContact O-N 2.87Å; N209-W211 VanDerWaalsContact O-N 3.16Å; N209-R215 PolarHBondContact O-NH1 2.75Å; N209-R215 PolarHBondContact O-NH2 3.26Å |
| 210 | Y | 97.1 | Very high | 97.6 | Very high | 105 Ų | 105 | 31.4 Ų | 31.4 | 41% | 0.412 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 19 | -179.4 | -41 | -76.8 | 0 | 0 | 0 | 114.5 | E148 Y151 C208 I213 R215 | E148-Y210 HydrophobicContact CB-CD1 3.82Å; E148-Y210 HydrophobicContact CB-CD2 4.32Å; E148-Y210 HydrophobicContact CB-CE1 4.06Å; E148-Y210 HydrophobicContact CB-CG 3.96Å; E148-Y210 HydrophobicContact CG-CD1 4.24Å; E148-Y210 HydrophobicContact CG-CG 4.33Å; Y151-Y210 AromaticContact CD2-CD2 3.87Å; Y151-Y210 HydrophobicContact CD2-CD2 3.87Å; Y151-Y210 AromaticContact CE2-CD2 3.83Å; Y151-Y210 HydrophobicContact CE2-CD2 3.83Å; Y151-Y210 HydrophobicContact CE2-CE2 4.45Å; C208-Y210 PolarHBondContact O-N 3.09Å; Y210-I213 WeakPolarHBondContact O-CA 3.45Å; Y210-I213 WeakPolarHBondContact O-CB 3.39Å; Y210-I213 VanDerWaalsContact O-CG1 3.31Å; Y210-I213 WeakPolarHBondContact O-CG1 3.25Å; Y210-I213 PolarHBondContact O-N 3Å; Y210-R215 PolarHBondContact O-NH1 3.36Å |
| 211 | W | 96.8 | Very high | 97.7 | Very high | 67 Ų | 67 | 33 Ų | 33 | 25% | 0.254 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 135.9 | 179.4 | -175.9 | -89.9 | 0 | 0 | 0 | 111.6 | L177 F195 K196 E197 C208 N209 R215 | L177-W211 HydrophobicContact CD2-CH2 3.91Å; L177-W211 HydrophobicContact CD2-CZ2 3.7Å; F195-W211 AromaticContact CD2-CH2 3.64Å; F195-W211 HydrophobicContact CD2-CH2 3.64Å; F195-W211 HydrophobicContact CD2-CZ3 4.35Å; F195-W211 AromaticContact CE2-CH2 3.48Å; F195-W211 HydrophobicContact CE2-CH2 3.48Å; F195-W211 VanDerWaalsContact CE2-CH2 3.48Å; F195-W211 HydrophobicContact CE2-CZ2 4.49Å; F195-W211 AromaticContact CE2-CZ3 3.94Å; F195-W211 HydrophobicContact CE2-CZ3 3.94Å; K196-W211 WeakPolarHBondContact O-CH2 3.24Å; E197-W211 HydrophobicContact CB-CD2 4.11Å; E197-W211 HydrophobicContact CB-CH2 4.39Å; E197-W211 HydrophobicContact CB-CZ2 3.99Å; E197-W211 HydrophobicContact CG-CD2 4.02Å; E197-W211 HydrophobicContact CG-CE3 4.34Å; E197-W211 HydrophobicContact CG-CG 4.16Å; C208-W211 VanDerWaalsContact O-CB 3.29Å; C208-W211 WeakPolarHBondContact O-CB 3.42Å; C208-W211 PolarHBondContact O-N 3.48Å; N209-W211 PolarHBondContact O-N 2.87Å; N209-W211 VanDerWaalsContact O-N 3.16Å; W211-R215 HydrophobicContact CE3-CG 4.04Å; W211-R215 HydrophobicContact CH2-CG 4.46Å; W211-R215 HydrophobicContact CZ3-CG 3.82Å |
| 212 | P | 96.4 | Very high | 97.7 | Very high | 45 Ų | 45 | 38 Ų | 38 | 29% | 0.292 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -98.3 | 22.1 | 3.1 | 39.4 | -36.4 | 0 | 0 | 0 | 114.3 | L177 G214 R215 | L177-P212 HydrophobicContact CB-CB 3.96Å; P212-G214 PolarHBondContact O-N 3.18Å; P212-R215 WeakPolarHBondContact O-CB 3.41Å; P212-R215 PolarHBondContact O-N 2.81Å |
| 213 | I | 98 | Very high | 97.7 | Very high | 25 Ų | 25 | 41 Ų | 41 | 13% | 0.128 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 134.1 | -171.8 | -58.3 | 176.2 | 0 | 0 | 0 | 110.7 | E148 I152 Y210 R215 | E148-I213 HydrophobicContact CG-CD1 4.21Å; E148-I213 HydrophobicContact CG-CG2 3.97Å; E148-I213 WeakPolarHBondContact OE1-CD1 3.25Å; I152-I213 HydrophobicContact CD1-CG2 3.99Å; I152-I213 HydrophobicContact CG1-CG2 3.7Å; Y210-I213 WeakPolarHBondContact O-CA 3.45Å; Y210-I213 WeakPolarHBondContact O-CB 3.39Å; Y210-I213 VanDerWaalsContact O-CG1 3.31Å; Y210-I213 WeakPolarHBondContact O-CG1 3.25Å; Y210-I213 PolarHBondContact O-N 3Å; I213-R215 WeakPolarHBondContact O-CD 3.27Å; I213-R215 PolarHBondContact O-N 3.25Å; I213-R215 PolarHBondContact O-NH1 2.98Å |
| 214 | G | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.4 | 3.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y151 E155 P212 N230 | Y151-G214 WeakPolarHBondContact O-CA 3.29Å; E155-G214 WeakPolarHBondContact CB-O 3.35Å; E155-G214 WeakPolarHBondContact OE2-CA 3.46Å; P212-G214 PolarHBondContact O-N 3.18Å; G214-N230 PolarHBondContact O-ND2 3.26Å |
| 215 | R | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -94.4 | 143.3 | 178.9 | -76.8 | 65.8 | 173.9 | -153 | -3.4 | 109.8 | L177 F195 A207 N209 Y210 W211 P212 I213 V229 N230 | L177-R215 HydrophobicContact CB-CB 4.12Å; L177-R215 HydrophobicContact CD1-CB 4.37Å; L177-R215 HydrophobicContact CD2-CB 3.92Å; L177-R215 HydrophobicContact CG-CB 4.36Å; L177-R215 PolarHBondContact N-O 2.8Å; F195-R215 HydrophobicContact CE2-CB 4.27Å; F195-R215 HydrophobicContact CE2-CG 4.22Å; F195-R215 HydrophobicContact CZ-CB 4.11Å; F195-R215 HydrophobicContact CZ-CG 4.39Å; A207-R215 PolarHBondContact O-NH2 3.32Å; N209-R215 PolarHBondContact O-NH1 2.75Å; N209-R215 PolarHBondContact O-NH2 3.26Å; Y210-R215 PolarHBondContact O-NH1 3.36Å; W211-R215 HydrophobicContact CE3-CG 4.04Å; W211-R215 HydrophobicContact CH2-CG 4.46Å; W211-R215 HydrophobicContact CZ3-CG 3.82Å; P212-R215 WeakPolarHBondContact O-CB 3.41Å; P212-R215 PolarHBondContact O-N 2.81Å; I213-R215 WeakPolarHBondContact O-CD 3.27Å; I213-R215 PolarHBondContact O-N 3.25Å; I213-R215 PolarHBondContact O-NH1 2.98Å; R215-V229 WeakPolarHBondContact CA-O 3.4Å; R215-N230 HydrophobicContact CG-CB 4.11Å; R215-N230 VanDerWaalsContact CG-O 3.3Å; R215-N230 WeakPolarHBondContact CG-O 3.29Å; R215-N230 PolarHBondContact NE-O 2.77Å; R215-N230 VanDerWaalsContact NE-O 3.08Å | ||
| 216 | G | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165 | 168.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y174 Y175 V229 | Y174-G216 VanDerWaalsContact OH-CA 3.27Å; Y174-G216 WeakPolarHBondContact OH-CA 3.16Å; Y175-G216 CarbonylContact O-C 3.54Å; Y175-G216 VanDerWaalsContact O-CA 3.27Å; Y175-G216 WeakPolarHBondContact O-CA 3.37Å; G216-V229 PolarHBondContact N-O 2.86Å; G216-V229 PolarHBondContact O-N 2.9Å |
| 217 | I | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 134.3 | -177.8 | -66 | 164 | 0 | 0 | 0 | 107.9 | Y174 Y175 L177 L188 F193 L194 F195 L226 I227 | Y174-I217 CarbonylContact C-O 3.35Å; Y174-I217 WeakPolarHBondContact CA-O 3.27Å; Y175-I217 PolarHBondContact N-O 2.75Å; Y175-I217 PolarHBondContact O-N 3.3Å; L177-I217 HydrophobicContact CD1-CD1 4Å; L177-I217 HydrophobicContact CD1-CG1 3.99Å; L188-I217 HydrophobicContact CD1-CD1 4.22Å; L188-I217 HydrophobicContact CD2-CG2 4.33Å; F193-I217 WeakPolarHBondContact O-CD1 3.37Å; L194-I217 HydrophobicContact CB-CD1 4.39Å; L194-I217 HydrophobicContact CD1-CD1 3.52Å; L194-I217 HydrophobicContact CG-CD1 4.5Å; F195-I217 HydrophobicContact CD1-CD1 3.91Å; F195-I217 HydrophobicContact CD1-CG1 3.72Å; F195-I217 HydrophobicContact CE1-CD1 3.96Å; F195-I217 HydrophobicContact CE1-CG1 3.38Å; F195-I217 HydrophobicContact CZ-CG1 4.38Å; I217-L226 HydrophobicContact CG2-CD1 3.49Å; I217-L226 VanDerWaalsContact CG2-CD1 3.49Å; I217-I227 WeakPolarHBondContact CA-O 3.34Å |
| 218 | F | 98.7 | Very high | 98 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.013 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 136.1 | 168.2 | 168 | -91.9 | 0 | 0 | 0 | 109.4 | V162 F165 L170 G172 T173 Y174 F225 L226 I227 | V162-F218 HydrophobicContact CB-CD1 4.31Å; V162-F218 HydrophobicContact CB-CD2 3.74Å; V162-F218 HydrophobicContact CB-CE1 4.28Å; V162-F218 HydrophobicContact CB-CE2 3.69Å; V162-F218 HydrophobicContact CB-CG 4.03Å; V162-F218 HydrophobicContact CB-CZ 3.97Å; V162-F218 HydrophobicContact CG1-CD1 4.1Å; V162-F218 HydrophobicContact CG1-CD2 4.26Å; V162-F218 HydrophobicContact CG1-CE1 4.37Å; V162-F218 HydrophobicContact CG1-CG 4.03Å; V162-F218 HydrophobicContact CG2-CD2 3.52Å; V162-F218 HydrophobicContact CG2-CE2 3.82Å; V162-F218 HydrophobicContact CG2-CG 4.05Å; F165-F218 HydrophobicContact CD2-CE1 4.21Å; F165-F218 AromaticContact CD2-CZ 4Å; F165-F218 HydrophobicContact CD2-CZ 4Å; F165-F218 AromaticContact CE2-CE1 3.9Å; F165-F218 HydrophobicContact CE2-CE1 3.9Å; F165-F218 HydrophobicContact CE2-CZ 4.12Å; L170-F218 WeakPolarHBondContact O-CZ 3.48Å; G172-F218 VanDerWaalsContact C-CE2 3.4Å; T173-F218 WeakPolarHBondContact O-CA 3.33Å; T173-F218 WeakPolarHBondContact O-CD2 3.42Å; Y174-F218 HydrophobicContact CD2-CB 3.84Å; Y174-F218 HydrophobicContact CE2-CB 4.49Å; F218-F225 HydrophobicContact CE1-CD1 4.01Å; F218-F225 HydrophobicContact CE1-CE1 4.13Å; F218-L226 CarbonylContact O-C 3.59Å; F218-L226 VanDerWaalsContact O-CA 3.24Å; F218-L226 WeakPolarHBondContact O-CA 3.4Å; F218-L226 WeakPolarHBondContact O-CD1 3.37Å; F218-I227 HydrophobicContact CB-CB 4.23Å; F218-I227 HydrophobicContact CD1-CB 4.37Å; F218-I227 HydrophobicContact CD1-CD1 3.96Å; F218-I227 HydrophobicContact CD1-CG1 4.3Å; F218-I227 HydrophobicContact CE1-CD1 4.49Å; F218-I227 PolarHBondContact N-O 3.5Å; F218-I227 PolarHBondContact O-N 2.84Å |
| 219 | H | 98.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.037 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 149.2 | 166.8 | 71.4 | 78.1 | 0 | 0 | 0 | 111.6 | G172 T173 Y175 F193 F225 L226 | G172-H219 CarbonylContact C-O 3.57Å; G172-H219 WeakPolarHBondContact CA-O 3.11Å; T173-H219 PolarHBondContact N-O 3.25Å; T173-H219 PolarHBondContact O-N 3.02Å; T173-H219 VanDerWaalsContact O-N 3.13Å; Y175-H219 AromaticContact CE2-CD2 3.5Å; Y175-H219 VanDerWaalsContact CE2-CD2 3.5Å; Y175-H219 WeakPolarHBondContact CE2-CD2 3.5Å; Y175-H219 AromaticContact CE2-NE2 3.29Å; Y175-H219 VanDerWaalsContact CE2-NE2 3.29Å; Y175-H219 WeakPolarHBondContact CE2-NE2 3.31Å; Y175-H219 AromaticContact CZ-NE2 3.63Å; Y175-H219 PolarHBondContact OH-NE2 3.42Å; F193-H219 HydrophobicContact CD2-CB 4.31Å; F193-H219 AromaticContact CD2-CD2 3.95Å; F193-H219 HydrophobicContact CE2-CB 4.15Å; H219-F225 CarbonylContact C-O 3.56Å; H219-F225 WeakPolarHBondContact CA-O 3.39Å; H219-L226 HydrophobicContact CB-CD1 3.87Å |
| 220 | N | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 170.6 | 174.1 | 74.7 | -23.8 | 0 | 0 | 0 | 112 | E169 Q171 E222 K223 T224 F225 | E169-N220 VanDerWaalsContact O-CB 3.32Å; E169-N220 WeakPolarHBondContact O-CB 3.41Å; E169-N220 PolarHBondContact O-ND2 3.26Å; Q171-N220 VanDerWaalsContact O-CA 3.29Å; Q171-N220 WeakPolarHBondContact O-CA 3.37Å; Q171-N220 WeakPolarHBondContact O-CB 3.45Å; N220-E222 VanDerWaalsContact C-N 3.32Å; N220-E222 PolarHBondContact O-N 3.16Å; N220-K223 PolarHBondContact O-N 2.91Å; N220-K223 WeakPolarHBondContact OD1-CA 3.48Å; N220-K223 PolarHBondContact OD1-N 2.73Å; N220-T224 PolarHBondContact ND2-OG1 2.81Å; N220-T224 PolarHBondContact OD1-N 3.17Å; N220-F225 HydrophobicContact CB-CB 4.17Å; N220-F225 PolarHBondContact N-O 3.25Å; N220-F225 PolarHBondContact OD1-N 3.34Å; N220-F225 PolarHBondContact OD1-O 3.03Å |
| 221 | K | 97.7 | Very high | 98.1 | Very high | 136 Ų | 136 | 28.2 Ų | 28.2 | 59% | 0.591 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -44.5 | -179.1 | -65.5 | 170.7 | -170 | 166.2 | 0 | 112.7 | Q171 K223 | Q171-K221 PolarHBondContact O-N 3.3Å; Q171-K221 VanDerWaalsContact O-N 3.14Å; K221-K223 VanDerWaalsContact C-N 3.27Å; K221-K223 PolarHBondContact O-N 2.79Å |
| 222 | E | 97.8 | Very high | 98.1 | Very high | 145 Ų | 145 | 26.5 Ų | 26.5 | 68% | 0.678 | 13% | 0.126 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 1.2 | -176.6 | -58.4 | -51 | 134.2 | 0 | 0 | 114.1 | N220 T224 | N220-E222 VanDerWaalsContact C-N 3.32Å; N220-E222 PolarHBondContact O-N 3.16Å; E222-T224 HydrophobicContact CB-CG2 4.19Å; E222-T224 WeakPolarHBondContact O-CG2 3.47Å; E222-T224 PolarHBondContact O-N 3.13Å |
| 223 | K | 97.7 | Very high | 98.1 | Very high | 76 Ų | 76 | 24.5 Ų | 24.5 | 33% | 0.33 | 11% | 0.112 | S | C | . | . | S | Bend | trans | 58.7 | 27.3 | -179.4 | -60.6 | -178.3 | 174.6 | 178 | 0 | 113.8 | D191 F193 N220 K221 | D191-K223 IonicContact OD1-NZ 2.68Å; D191-K223 PolarHBondContact OD1-NZ 3.37Å; D191-K223 WeakPolarHBondContact OD2-CE 3.32Å; D191-K223 IonicContact OD2-NZ 2.75Å; D191-K223 PolarHBondContact OD2-NZ 2.87Å; F193-K223 HydrophobicContact CE2-CB 3.81Å; F193-K223 HydrophobicContact CE2-CD 4.15Å; F193-K223 HydrophobicContact CE2-CG 3.9Å; F193-K223 HydrophobicContact CZ-CB 3.75Å; F193-K223 HydrophobicContact CZ-CG 4.33Å; N220-K223 PolarHBondContact O-N 2.91Å; N220-K223 WeakPolarHBondContact OD1-CA 3.48Å; N220-K223 PolarHBondContact OD1-N 2.73Å; K221-K223 VanDerWaalsContact C-N 3.27Å; K221-K223 PolarHBondContact O-N 2.79Å |
| 224 | T | 98.4 | Very high | 98.1 | Very high | 26 Ų | 26 | 23.4 Ų | 23.4 | 16% | 0.16 | 11% | 0.107 | C | C | . | . | trans | -106 | -8 | -179.6 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | N220 E222 S239 M240 Q241 R252 | N220-T224 PolarHBondContact ND2-OG1 2.81Å; N220-T224 PolarHBondContact OD1-N 3.17Å; E222-T224 HydrophobicContact CB-CG2 4.19Å; E222-T224 WeakPolarHBondContact O-CG2 3.47Å; E222-T224 PolarHBondContact O-N 3.13Å; T224-S239 WeakPolarHBondContact O-CA 3.43Å; T224-M240 CarbonylContact C-O 3.54Å; T224-M240 WeakPolarHBondContact CA-O 3.28Å; T224-M240 WeakPolarHBondContact CB-O 3.07Å; T224-M240 WeakPolarHBondContact CG2-O 3.19Å; T224-M240 PolarHBondContact O-N 3.23Å; T224-M240 VanDerWaalsContact O-O 3.14Å; T224-Q241 HydrophobicContact CG2-CB 4.35Å; T224-R252 WeakPolarHBondContact O-CD 3.26Å; T224-R252 PolarHBondContact O-NH1 3.12Å | ||
| 225 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 129.3 | 174.6 | -176.6 | -103.7 | 0 | 0 | 0 | 109.9 | F165 L170 F218 H219 N220 I227 I237 I238 R252 G256 | F165-F225 AromaticContact CE2-CE1 3.97Å; F165-F225 HydrophobicContact CE2-CE1 3.97Å; L170-F225 HydrophobicContact CD2-CB 4.39Å; L170-F225 HydrophobicContact CD2-CD1 3.89Å; L170-F225 HydrophobicContact CD2-CD2 4.08Å; L170-F225 HydrophobicContact CD2-CE1 4.14Å; L170-F225 HydrophobicContact CD2-CE2 4.31Å; L170-F225 HydrophobicContact CD2-CG 3.86Å; L170-F225 HydrophobicContact CD2-CZ 4.34Å; F218-F225 HydrophobicContact CE1-CD1 4.01Å; F218-F225 HydrophobicContact CE1-CE1 4.13Å; H219-F225 CarbonylContact C-O 3.56Å; H219-F225 WeakPolarHBondContact CA-O 3.39Å; N220-F225 HydrophobicContact CB-CB 4.17Å; N220-F225 PolarHBondContact N-O 3.25Å; N220-F225 PolarHBondContact OD1-N 3.34Å; N220-F225 PolarHBondContact OD1-O 3.03Å; F225-I227 HydrophobicContact CE1-CD1 3.67Å; F225-I227 HydrophobicContact CE1-CG1 3.89Å; F225-I227 HydrophobicContact CZ-CD1 3.97Å; F225-I227 HydrophobicContact CZ-CG1 4.02Å; F225-I237 HydrophobicContact CE2-CG2 3.4Å; F225-I237 HydrophobicContact CZ-CG2 3.51Å; F225-I238 CarbonylContact C-O 3.59Å; F225-I238 WeakPolarHBondContact CA-O 3.34Å; F225-R252 HydrophobicContact CB-CG 4.3Å; F225-R252 HydrophobicContact CD2-CG 4.27Å; F225-G256 VanDerWaalsContact CZ-CA 3.5Å |
| 226 | L | 98.7 | Very high | 98.2 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 139.5 | -170.5 | 174.7 | 77.3 | 0 | 0 | 0 | 109.5 | F193 I217 F218 H219 W228 I238 | F193-L226 HydrophobicContact CB-CD1 4.11Å; F193-L226 HydrophobicContact CB-CD2 4.49Å; F193-L226 HydrophobicContact CD1-CD1 4.44Å; F193-L226 HydrophobicContact CD1-CD2 3.89Å; F193-L226 HydrophobicContact CD2-CD1 4.15Å; F193-L226 HydrophobicContact CE1-CD2 4.34Å; F193-L226 HydrophobicContact CG-CD1 4Å; F193-L226 HydrophobicContact CG-CD2 4.22Å; I217-L226 HydrophobicContact CG2-CD1 3.49Å; I217-L226 VanDerWaalsContact CG2-CD1 3.49Å; F218-L226 CarbonylContact O-C 3.59Å; F218-L226 VanDerWaalsContact O-CA 3.24Å; F218-L226 WeakPolarHBondContact O-CA 3.4Å; F218-L226 WeakPolarHBondContact O-CD1 3.37Å; H219-L226 HydrophobicContact CB-CD1 3.87Å; L226-W228 HydrophobicContact CD2-CZ2 4.49Å; L226-I238 HydrophobicContact CB-CB 4.13Å; L226-I238 HydrophobicContact CD2-CB 4.48Å; L226-I238 HydrophobicContact CD2-CD1 3.77Å; L226-I238 HydrophobicContact CG-CD1 4.21Å; L226-I238 PolarHBondContact N-O 3.22Å; L226-I238 PolarHBondContact O-N 3.45Å |
| 227 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 127.8 | 172.1 | -63.9 | 164.2 | 0 | 0 | 0 | 108.2 | V158 V162 F165 I217 F218 F225 V229 V235 R236 I237 L260 | V158-I227 HydrophobicContact CG1-CG2 4.21Å; V162-I227 HydrophobicContact CG1-CD1 3.63Å; F165-I227 HydrophobicContact CE2-CD1 4.35Å; F165-I227 HydrophobicContact CZ-CD1 4.3Å; I217-I227 WeakPolarHBondContact CA-O 3.34Å; F218-I227 HydrophobicContact CB-CB 4.23Å; F218-I227 HydrophobicContact CD1-CB 4.37Å; F218-I227 HydrophobicContact CD1-CD1 3.96Å; F218-I227 HydrophobicContact CD1-CG1 4.3Å; F218-I227 HydrophobicContact CE1-CD1 4.49Å; F218-I227 PolarHBondContact N-O 3.5Å; F218-I227 PolarHBondContact O-N 2.84Å; F225-I227 HydrophobicContact CE1-CD1 3.67Å; F225-I227 HydrophobicContact CE1-CG1 3.89Å; F225-I227 HydrophobicContact CZ-CD1 3.97Å; F225-I227 HydrophobicContact CZ-CG1 4.02Å; I227-V229 HydrophobicContact CG2-CG2 4.05Å; I227-V235 HydrophobicContact CG2-CG1 3.55Å; I227-R236 CarbonylContact C-O 3.55Å; I227-R236 VanDerWaalsContact CA-O 3.28Å; I227-R236 WeakPolarHBondContact CA-O 3.35Å; I227-I237 HydrophobicContact CG1-CG2 4.31Å; I227-L260 HydrophobicContact CD1-CD1 3.89Å; I227-L260 HydrophobicContact CD1-CD2 4.23Å; I227-L260 HydrophobicContact CD1-CG 4.42Å |
| 228 | W | 98.7 | Very high | 98.2 | Very high | 31 Ų | 31 | 24.2 Ų | 24.2 | 12% | 0.117 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 136.6 | 164.6 | -61.3 | -17.1 | 0 | 0 | 0 | 109.6 | F193 F195 L226 E231 V235 R236 I238 | F193-W228 PolarHBondContact O-NE1 3.47Å; F195-W228 HydrophobicContact CB-CD2 4.1Å; F195-W228 HydrophobicContact CB-CE3 4Å; F195-W228 HydrophobicContact CB-CH2 3.98Å; F195-W228 HydrophobicContact CB-CZ2 4.05Å; F195-W228 HydrophobicContact CB-CZ3 3.94Å; F195-W228 HydrophobicContact CD1-CB 3.85Å; F195-W228 AromaticContact CD1-CD1 3.57Å; F195-W228 AromaticContact CD1-CD2 3.54Å; F195-W228 HydrophobicContact CD1-CD2 3.54Å; F195-W228 AromaticContact CD1-CE2 3.81Å; F195-W228 HydrophobicContact CD1-CE3 4.12Å; F195-W228 AromaticContact CD1-CG 3.41Å; F195-W228 HydrophobicContact CD1-CG 3.41Å; F195-W228 VanDerWaalsContact CD1-CG 3.41Å; F195-W228 AromaticContact CD1-NE1 3.75Å; F195-W228 HydrophobicContact CE1-CB 3.67Å; F195-W228 AromaticContact CE1-CD1 3.89Å; F195-W228 HydrophobicContact CE1-CD2 4.31Å; F195-W228 AromaticContact CE1-CG 3.71Å; F195-W228 HydrophobicContact CE1-CG 3.71Å; F195-W228 HydrophobicContact CG-CD2 4.15Å; F195-W228 HydrophobicContact CG-CE3 4.29Å; F195-W228 HydrophobicContact CG-CG 4.4Å; L226-W228 HydrophobicContact CD2-CZ2 4.49Å; W228-E231 HydrophobicContact CB-CB 4.19Å; W228-E231 HydrophobicContact CE3-CB 4.38Å; W228-E231 HydrophobicContact CE3-CG 3.9Å; W228-E231 HydrophobicContact CZ3-CG 4.39Å; W228-V235 WeakPolarHBondContact O-CA 3.47Å; W228-R236 HydrophobicContact CB-CB 4.2Å; W228-R236 PolarHBondContact N-O 3.31Å; W228-R236 PolarHBondContact O-N 2.72Å; W228-I238 HydrophobicContact CD2-CD1 4.04Å; W228-I238 HydrophobicContact CE3-CD1 4.44Å; W228-I238 HydrophobicContact CG-CD1 4.4Å; W228-I238 HydrophobicContact CZ2-CD1 4.39Å |
| 229 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.7 | -178.4 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | V158 Y174 R215 G216 I227 E231 H234 | V158-V229 HydrophobicContact CB-CG1 4.32Å; V158-V229 HydrophobicContact CB-CG2 3.96Å; V158-V229 HydrophobicContact CG1-CG2 3.56Å; V158-V229 HydrophobicContact CG2-CG1 4.13Å; V158-V229 HydrophobicContact CG2-CG2 4.26Å; Y174-V229 HydrophobicContact CE2-CG2 3.82Å; R215-V229 WeakPolarHBondContact CA-O 3.4Å; G216-V229 PolarHBondContact N-O 2.86Å; G216-V229 PolarHBondContact O-N 2.9Å; I227-V229 HydrophobicContact CG2-CG2 4.05Å; V229-E231 PolarHBondContact O-N 3.43Å; V229-H234 WeakPolarHBondContact CA-O 3.48Å |
| 230 | N | 98.1 | Very high | 98.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 56.4 | 31 | 176.3 | -64.4 | -32.8 | 0 | 0 | 0 | 115.1 | Y151 G214 R215 D233 H234 | Y151-N230 HydrophobicContact CD1-CB 3.72Å; Y151-N230 HydrophobicContact CE1-CB 3.96Å; Y151-N230 PolarHBondContact O-ND2 2.97Å; Y151-N230 VanDerWaalsContact O-ND2 3.16Å; G214-N230 PolarHBondContact O-ND2 3.26Å; R215-N230 HydrophobicContact CG-CB 4.11Å; R215-N230 VanDerWaalsContact CG-O 3.3Å; R215-N230 WeakPolarHBondContact CG-O 3.29Å; R215-N230 PolarHBondContact NE-O 2.77Å; R215-N230 VanDerWaalsContact NE-O 3.08Å; N230-D233 WeakPolarHBondContact CA-O 3.35Å; N230-D233 PolarHBondContact N-O 3.22Å; N230-H234 PolarHBondContact N-O 2.71Å |
| 231 | E | 96.2 | Very high | 98.2 | Very high | 27 Ų | 27 | 28.5 Ų | 28.5 | 13% | 0.126 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -73.2 | -64.6 | 175.9 | -178.8 | -91.2 | 149.3 | 0 | 0 | 110.8 | F195 W228 V229 R236 | F195-E231 HydrophobicContact CB-CG 3.86Å; F195-E231 HydrophobicContact CD1-CB 4.33Å; F195-E231 HydrophobicContact CD1-CG 4.19Å; F195-E231 HydrophobicContact CD2-CB 3.78Å; F195-E231 HydrophobicContact CD2-CG 3.33Å; F195-E231 HydrophobicContact CE1-CB 4.24Å; F195-E231 HydrophobicContact CE2-CB 3.71Å; F195-E231 HydrophobicContact CE2-CG 3.82Å; F195-E231 HydrophobicContact CG-CB 4.11Å; F195-E231 HydrophobicContact CG-CG 3.55Å; F195-E231 HydrophobicContact CZ-CB 3.95Å; F195-E231 HydrophobicContact CZ-CG 4.41Å; W228-E231 HydrophobicContact CB-CB 4.19Å; W228-E231 HydrophobicContact CE3-CB 4.38Å; W228-E231 HydrophobicContact CE3-CG 3.9Å; W228-E231 HydrophobicContact CZ3-CG 4.39Å; V229-E231 PolarHBondContact O-N 3.43Å; E231-R236 IonicContact OE2-CZ 3.98Å; E231-R236 IonicContact OE2-NE 2.82Å; E231-R236 PolarHBondContact OE2-NE 2.81Å; E231-R236 VanDerWaalsContact OE2-NE 3.13Å; E231-R236 IonicContact OE2-NH2 3.37Å; E231-R236 PolarHBondContact OE2-NH2 2.71Å |
| 232 | E | 96.3 | Very high | 98.2 | Very high | 31 Ų | 31 | 28.5 Ų | 28.5 | 15% | 0.145 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -123.7 | -50.9 | 170.2 | 178.2 | -174.9 | -174.2 | 0 | 0 | 109.6 | N143 L202 R236 F277 | N143-E232 PolarHBondContact ND2-O 3.03Å; L202-E232 HydrophobicContact CD1-CG 4.46Å; L202-E232 HydrophobicContact CD2-CG 3.91Å; E232-R236 IonicContact OE2-CZ 2.69Å; E232-R236 IonicContact OE2-NH2 3.75Å; E232-R236 PolarHBondContact OE2-NH2 2.9Å; E232-F277 HydrophobicContact CG-CD1 4.04Å |
| 233 | D | 97.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.011 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -100.6 | 169.2 | 170.4 | -67.4 | -61.5 | 0 | 0 | 0 | 110.7 | A134 N230 V235 T276 F277 | A134-D233 HydrophobicContact CB-CB 4.15Å; A134-D233 WeakPolarHBondContact CB-OD2 3.22Å; N230-D233 WeakPolarHBondContact CA-O 3.35Å; N230-D233 PolarHBondContact N-O 3.22Å; D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 2.61Å; D233-T276 VanDerWaalsContact OD1-CB 3.22Å; D233-T276 WeakPolarHBondContact OD1-CB 3.48Å; D233-F277 WeakPolarHBondContact OD1-CB 3.47Å; D233-F277 PolarHBondContact OD1-N 2.84Å |
| 234 | H | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 19 Ų | 19 | 1% | 0.009 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -60 | -43.8 | -178.1 | -58.5 | 170.4 | 0 | 0 | 0 | 111.6 | V137 P141 L154 V229 N230 | V137-H234 HydrophobicContact CG2-CB 4.12Å; V137-H234 PolarHBondContact N-ND1 2.87Å; V137-H234 VanDerWaalsContact N-ND1 3.19Å; P141-H234 PolarHBondContact O-CE1 3Å; P141-H234 PolarHBondContact O-NE2 3.24Å; L154-H234 HydrophobicContact CD2-CB 4.3Å; V229-H234 WeakPolarHBondContact CA-O 3.48Å; N230-H234 PolarHBondContact N-O 2.71Å |
| 235 | V | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 122 | -179.7 | -168.3 | 0 | 0 | 0 | 0 | 109.4 | A134 R135 V137 V158 I227 W228 D233 I237 L260 F266 | A134-V235 CarbonylContact C-O 3.57Å; A134-V235 WeakPolarHBondContact CA-O 3.32Å; R135-V235 HydrophobicContact CB-CB 4.39Å; R135-V235 PolarHBondContact N-O 2.98Å; R135-V235 PolarHBondContact O-N 2.77Å; R135-V235 VanDerWaalsContact O-N 3.1Å; V137-V235 HydrophobicContact CG2-CG2 4.23Å; V158-V235 HydrophobicContact CG2-CG2 3.73Å; I227-V235 HydrophobicContact CG2-CG1 3.55Å; W228-V235 WeakPolarHBondContact O-CA 3.47Å; D233-V235 VanDerWaalsContact C-N 3.31Å; D233-V235 PolarHBondContact O-N 2.61Å; V235-I237 HydrophobicContact CG1-CD1 4.38Å; V235-I237 HydrophobicContact CG1-CG1 3.74Å; V235-L260 HydrophobicContact CG1-CD1 4.11Å; V235-F266 HydrophobicContact CG2-CE1 4.13Å |
| 236 | R | 98.6 | Very high | 98.2 | Very high | 18 Ų | 18 | 20.3 Ų | 20.3 | 7% | 0.068 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 115.3 | 167.2 | -170.7 | -176.3 | -60.7 | -78.2 | 9.6 | 108.8 | C133 I227 W228 E231 E232 I238 | C133-R236 WeakPolarHBondContact O-CA 3.22Å; I227-R236 CarbonylContact C-O 3.55Å; I227-R236 VanDerWaalsContact CA-O 3.28Å; I227-R236 WeakPolarHBondContact CA-O 3.35Å; W228-R236 HydrophobicContact CB-CB 4.2Å; W228-R236 PolarHBondContact N-O 3.31Å; W228-R236 PolarHBondContact O-N 2.72Å; E231-R236 IonicContact OE2-CZ 3.98Å; E231-R236 IonicContact OE2-NE 2.82Å; E231-R236 PolarHBondContact OE2-NE 2.81Å; E231-R236 VanDerWaalsContact OE2-NE 3.13Å; E231-R236 IonicContact OE2-NH2 3.37Å; E231-R236 PolarHBondContact OE2-NH2 2.71Å; E232-R236 IonicContact OE2-CZ 2.69Å; E232-R236 IonicContact OE2-NH2 3.75Å; E232-R236 PolarHBondContact OE2-NH2 2.9Å; R236-I238 HydrophobicContact CG-CD1 4.31Å; R236-I238 HydrophobicContact CG-CG1 4.23Å |
| 237 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.6 | -175.4 | -48.1 | 164 | 0 | 0 | 0 | 107.7 | R132 C133 R135 F225 I227 V235 L253 V257 L260 | R132-I237 CarbonylContact C-O 3.59Å; R132-I237 WeakPolarHBondContact CA-O 3.48Å; R132-I237 WeakPolarHBondContact CB-O 3.38Å; C133-I237 PolarHBondContact N-O 2.88Å; C133-I237 PolarHBondContact O-N 3.37Å; R135-I237 HydrophobicContact CG-CD1 3.96Å; F225-I237 HydrophobicContact CE2-CG2 3.4Å; F225-I237 HydrophobicContact CZ-CG2 3.51Å; I227-I237 HydrophobicContact CG1-CG2 4.31Å; V235-I237 HydrophobicContact CG1-CD1 4.38Å; V235-I237 HydrophobicContact CG1-CG1 3.74Å; I237-L253 HydrophobicContact CB-CD1 4.15Å; I237-L253 HydrophobicContact CG2-CD1 3.7Å; I237-V257 HydrophobicContact CD1-CB 4.45Å; I237-V257 HydrophobicContact CD1-CG2 3.66Å; I237-L260 HydrophobicContact CD1-CD1 3.46Å; I237-L260 VanDerWaalsContact CD1-CD1 3.46Å; I237-L260 HydrophobicContact CG1-CD1 3.76Å |
| 238 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 127.4 | -171.2 | -59.8 | 156.7 | 0 | 0 | 0 | 108.1 | R130 R132 F225 L226 W228 R236 M240 | R130-I238 HydrophobicContact CG-CG2 4.03Å; R132-I238 HydrophobicContact CB-CB 4.34Å; R132-I238 HydrophobicContact CB-CG1 3.78Å; F225-I238 CarbonylContact C-O 3.59Å; F225-I238 WeakPolarHBondContact CA-O 3.34Å; L226-I238 HydrophobicContact CB-CB 4.13Å; L226-I238 HydrophobicContact CD2-CB 4.48Å; L226-I238 HydrophobicContact CD2-CD1 3.77Å; L226-I238 HydrophobicContact CG-CD1 4.21Å; L226-I238 PolarHBondContact N-O 3.22Å; L226-I238 PolarHBondContact O-N 3.45Å; W228-I238 HydrophobicContact CD2-CD1 4.04Å; W228-I238 HydrophobicContact CE3-CD1 4.44Å; W228-I238 HydrophobicContact CG-CD1 4.4Å; W228-I238 HydrophobicContact CZ2-CD1 4.39Å; R236-I238 HydrophobicContact CG-CD1 4.31Å; R236-I238 HydrophobicContact CG-CG1 4.23Å; I238-M240 HydrophobicContact CG2-SD 4.41Å |
| 239 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 136.2 | 169.3 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | R130 I131 T224 V249 R252 | R130-S239 CarbonylContact C-O 3.57Å; R130-S239 WeakPolarHBondContact CA-O 3.34Å; I131-S239 PolarHBondContact N-O 3Å; I131-S239 PolarHBondContact O-N 3.4Å; I131-S239 VanDerWaalsContact O-O 3.11Å; T224-S239 WeakPolarHBondContact O-CA 3.43Å; S239-V249 VanDerWaalsContact CB-O 3.27Å; S239-V249 WeakPolarHBondContact CB-O 3.44Å; S239-V249 VanDerWaalsContact O-CG1 3.27Å; S239-V249 WeakPolarHBondContact O-CG1 3.1Å; S239-V249 PolarHBondContact OG-O 3.18Å; S239-R252 PolarHBondContact OG-NH1 2.91Å |
| 240 | M | 98.5 | Very high | 98.2 | Very high | 56 Ų | 56 | 21.2 Ų | 21.2 | 28% | 0.276 | 12% | 0.118 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 156.6 | -178 | 54.1 | -177.4 | -87.8 | 0 | 0 | 112.7 | T129 R130 F193 T224 I238 R252 | T129-M240 CarbonylContact O-C 3.51Å; T129-M240 WeakPolarHBondContact O-CA 3.29Å; T129-M240 WeakPolarHBondContact O-CB 3.4Å; R130-M240 HydrophobicContact CB-CB 4.09Å; R130-M240 HydrophobicContact CG-CB 4.15Å; F193-M240 HydrophobicContact CE1-CE 4.24Å; F193-M240 HydrophobicContact CE1-SD 4.25Å; T224-M240 CarbonylContact C-O 3.54Å; T224-M240 WeakPolarHBondContact CA-O 3.28Å; T224-M240 WeakPolarHBondContact CB-O 3.07Å; T224-M240 WeakPolarHBondContact CG2-O 3.19Å; T224-M240 PolarHBondContact O-N 3.23Å; T224-M240 VanDerWaalsContact O-O 3.14Å; I238-M240 HydrophobicContact CG2-SD 4.41Å; M240-R252 PolarHBondContact O-NH1 2.89Å |
| 241 | Q | 97.9 | Very high | 98.2 | Very high | 45 Ų | 45 | 26.1 Ų | 26.1 | 21% | 0.21 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 168.8 | 167.6 | 68 | -166.6 | 71.8 | 0 | 0 | 110.7 | S128 T129 T224 V249 | S128-Q241 CarbonylContact C-O 3.55Å; S128-Q241 WeakPolarHBondContact CA-O 3.47Å; S128-Q241 WeakPolarHBondContact CB-O 3.24Å; T129-Q241 PolarHBondContact N-O 3.49Å; T129-Q241 PolarHBondContact O-N 3.19Å; T224-Q241 HydrophobicContact CG2-CB 4.35Å; Q241-V249 HydrophobicContact CB-CG2 4.46Å; Q241-V249 HydrophobicContact CG-CG2 3.55Å |
| 242 | N | 97.9 | Very high | 98.3 | Very high | 136 Ų | 136 | 25.2 Ų | 25.2 | 73% | 0.727 | 14% | 0.135 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 150.2 | 170.2 | -65.9 | -21.9 | 0 | 0 | 0 | 111.4 | I127 | I127-N242 WeakPolarHBondContact O-CA 3.32Å |
| 243 | G | 98.3 | Very high | 98.5 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 21% | 0.206 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 79.8 | -174.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I126 I127 T129 | I126-G243 WeakPolarHBondContact CG2-O 3.22Å; I127-G243 PolarHBondContact O-N 3.43Å; T129-G243 PolarHBondContact N-O 3.36Å; T129-G243 PolarHBondContact OG1-O 2.64Å |
| 244 | G | 98.1 | Very high | 98.5 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -98.1 | 18.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 117 | N118 L119 V246 | N118-G244 WeakPolarHBondContact OD1-CA 3.41Å; N118-G244 PolarHBondContact OD1-O 3.21Å; L119-G244 PolarHBondContact N-O 3.28Å; G244-V246 VanDerWaalsContact C-N 3.32Å; G244-V246 PolarHBondContact O-N 3.24Å |
| 245 | D | 98.4 | Very high | 98.5 | Very high | 55 Ų | 55 | 25.6 Ų | 25.6 | 29% | 0.294 | 14% | 0.138 | S | C | . | . | trans | -78.4 | 79.5 | 178.9 | -170.5 | -10.6 | 0 | 0 | 0 | 111.7 | S247 A248 V249 | D245-S247 VanDerWaalsContact C-N 3.31Å; D245-S247 PolarHBondContact O-N 3.43Å; D245-S247 PolarHBondContact OD1-N 3.16Å; D245-A248 HydrophobicContact CB-CB 4.31Å; D245-A248 VanDerWaalsContact CG-CB 3.43Å; D245-A248 WeakPolarHBondContact OD1-CB 3.35Å; D245-A248 PolarHBondContact OD1-N 2.74Å; D245-A248 WeakPolarHBondContact OD2-CB 3.24Å; D245-V249 WeakPolarHBondContact O-CG2 3.41Å; D245-V249 PolarHBondContact O-N 3.18Å | ||
| 246 | V | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.7 | -35.8 | -179.2 | -176.8 | 0 | 0 | 0 | 0 | 111.7 | L116 L119 T129 I131 G244 V249 L250 V345 M348 Y349 | L116-V246 HydrophobicContact CD1-CG1 4.27Å; L119-V246 HydrophobicContact CD1-CG2 3.69Å; L119-V246 HydrophobicContact CG-CG2 4.28Å; T129-V246 HydrophobicContact CG2-CG2 4.11Å; I131-V246 HydrophobicContact CD1-CG1 4.15Å; G244-V246 VanDerWaalsContact C-N 3.32Å; G244-V246 PolarHBondContact O-N 3.24Å; V246-V249 PolarHBondContact O-N 2.81Å; V246-L250 WeakPolarHBondContact O-CB 3.28Å; V246-L250 PolarHBondContact O-N 3.33Å; V246-V345 HydrophobicContact CG1-CG1 3.43Å; V246-V345 VanDerWaalsContact CG1-CG1 3.43Å; V246-M348 HydrophobicContact CG1-CE 4.18Å; V246-M348 HydrophobicContact CG2-CE 4.26Å; V246-Y349 HydrophobicContact CB-CD2 4.16Å; V246-Y349 HydrophobicContact CG1-CD2 4.44Å; V246-Y349 HydrophobicContact CG2-CD2 3.99Å |
| 247 | S | 98.4 | Very high | 98.5 | Very high | 25 Ų | 25 | 24.7 Ų | 24.7 | 18% | 0.175 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -63.2 | -46.6 | -179.8 | -171.3 | 0 | 0 | 0 | 0 | 112.1 | L113 L116 D245 V249 L250 K251 | L113-S247 WeakPolarHBondContact O-CB 3.04Å; L113-S247 PolarHBondContact O-OG 3.21Å; L116-S247 WeakPolarHBondContact O-CB 3.33Å; D245-S247 VanDerWaalsContact C-N 3.31Å; D245-S247 PolarHBondContact O-N 3.43Å; D245-S247 PolarHBondContact OD1-N 3.16Å; S247-V249 VanDerWaalsContact C-N 3.34Å; S247-V249 PolarHBondContact O-N 3.47Å; S247-L250 PolarHBondContact O-N 3.06Å; S247-K251 VanDerWaalsContact O-CB 3.28Å; S247-K251 WeakPolarHBondContact O-CB 3.36Å; S247-K251 PolarHBondContact O-N 2.86Å |
| 248 | A | 98.3 | Very high | 98.5 | Very high | 27 Ų | 27 | 29 Ų | 29 | 22% | 0.223 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.9 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | D245 K251 R252 | D245-A248 HydrophobicContact CB-CB 4.31Å; D245-A248 VanDerWaalsContact CG-CB 3.43Å; D245-A248 WeakPolarHBondContact OD1-CB 3.35Å; D245-A248 PolarHBondContact OD1-N 2.74Å; D245-A248 WeakPolarHBondContact OD2-CB 3.24Å; A248-K251 PolarHBondContact O-N 2.84Å; A248-R252 WeakPolarHBondContact O-CB 3.18Å; A248-R252 PolarHBondContact O-N 2.88Å |
| 249 | V | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 178.4 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | T129 I131 S239 Q241 D245 V246 S247 L253 | T129-V249 HydrophobicContact CG2-CB 4.21Å; T129-V249 HydrophobicContact CG2-CG1 4.34Å; T129-V249 HydrophobicContact CG2-CG2 3.97Å; I131-V249 HydrophobicContact CB-CG1 3.98Å; I131-V249 HydrophobicContact CD1-CB 4.16Å; I131-V249 HydrophobicContact CD1-CG1 3.84Å; I131-V249 HydrophobicContact CG1-CB 4.44Å; I131-V249 HydrophobicContact CG1-CG1 3.65Å; S239-V249 VanDerWaalsContact CB-O 3.27Å; S239-V249 WeakPolarHBondContact CB-O 3.44Å; S239-V249 VanDerWaalsContact O-CG1 3.27Å; S239-V249 WeakPolarHBondContact O-CG1 3.1Å; S239-V249 PolarHBondContact OG-O 3.18Å; Q241-V249 HydrophobicContact CB-CG2 4.46Å; Q241-V249 HydrophobicContact CG-CG2 3.55Å; D245-V249 WeakPolarHBondContact O-CG2 3.41Å; D245-V249 PolarHBondContact O-N 3.18Å; V246-V249 PolarHBondContact O-N 2.81Å; S247-V249 VanDerWaalsContact C-N 3.34Å; S247-V249 PolarHBondContact O-N 3.47Å; V249-L253 PolarHBondContact O-N 3.17Å |
| 250 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -44 | 179.1 | -177.5 | 55.2 | 0 | 0 | 0 | 111.9 | F108 L113 L116 I131 V246 S247 R252 L253 K254 F342 V345 | F108-L250 HydrophobicContact CD1-CD1 3.77Å; F108-L250 HydrophobicContact CE1-CD1 4.44Å; L113-L250 HydrophobicContact CD2-CB 4.26Å; L113-L250 HydrophobicContact CD2-CD2 3.87Å; L113-L250 HydrophobicContact CD2-CG 4.04Å; L116-L250 HydrophobicContact CD1-CD2 3.66Å; I131-L250 HydrophobicContact CD1-CB 3.83Å; I131-L250 HydrophobicContact CD1-CD1 4.31Å; V246-L250 WeakPolarHBondContact O-CB 3.28Å; V246-L250 PolarHBondContact O-N 3.33Å; S247-L250 PolarHBondContact O-N 3.06Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 2.61Å; L250-L253 PolarHBondContact O-N 3.05Å; L250-K254 WeakPolarHBondContact O-CB 3.23Å; L250-K254 PolarHBondContact O-N 2.85Å; L250-F342 HydrophobicContact CD2-CD2 4.05Å; L250-V345 HydrophobicContact CD1-CG2 3.8Å; L250-V345 HydrophobicContact CD2-CB 4.19Å; L250-V345 HydrophobicContact CD2-CG1 4.12Å; L250-V345 HydrophobicContact CD2-CG2 4.17Å |
| 251 | K | 98.5 | Very high | 98.4 | Very high | 103 Ų | 103 | 30.1 Ų | 30.1 | 45% | 0.448 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -57.9 | -46.8 | 177.9 | -175.3 | -179.4 | 177.8 | -176.7 | 0 | 111.4 | L113 S247 A248 K254 N255 | L113-K251 HydrophobicContact CD1-CB 3.92Å; L113-K251 HydrophobicContact CD1-CD 4.32Å; L113-K251 HydrophobicContact CD1-CG 4Å; S247-K251 VanDerWaalsContact O-CB 3.28Å; S247-K251 WeakPolarHBondContact O-CB 3.36Å; S247-K251 PolarHBondContact O-N 2.86Å; A248-K251 PolarHBondContact O-N 2.84Å; K251-K254 PolarHBondContact O-N 2.99Å; K251-N255 VanDerWaalsContact O-CG 3.31Å; K251-N255 PolarHBondContact O-N 2.72Å; K251-N255 PolarHBondContact O-OD1 2.76Å |
| 252 | R | 98.7 | Very high | 98.4 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.3 | -41.7 | 177.2 | -171.4 | -169.3 | -41.4 | 115.7 | 11.9 | 112 | E169 L170 T224 F225 S239 M240 A248 L250 N255 G256 | E169-R252 HydrophobicContact CG-CG 4.36Å; E169-R252 IonicContact OE1-CZ 3.29Å; E169-R252 IonicContact OE1-NE 2.61Å; E169-R252 PolarHBondContact OE1-NE 2.67Å; E169-R252 IonicContact OE1-NH2 2.98Å; L170-R252 HydrophobicContact CD2-CG 4.04Å; T224-R252 WeakPolarHBondContact O-CD 3.26Å; T224-R252 PolarHBondContact O-NH1 3.12Å; F225-R252 HydrophobicContact CB-CG 4.3Å; F225-R252 HydrophobicContact CD2-CG 4.27Å; S239-R252 PolarHBondContact OG-NH1 2.91Å; M240-R252 PolarHBondContact O-NH1 2.89Å; A248-R252 WeakPolarHBondContact O-CB 3.18Å; A248-R252 PolarHBondContact O-N 2.88Å; L250-R252 VanDerWaalsContact C-N 3.34Å; L250-R252 PolarHBondContact O-N 2.61Å; R252-N255 PolarHBondContact O-N 2.93Å; R252-G256 PolarHBondContact O-N 2.99Å |
| 253 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.8 | -50.1 | 175.4 | -175 | 68.1 | 0 | 0 | 0 | 111 | F108 I131 I237 V249 L250 N255 G256 V257 I286 | F108-L253 HydrophobicContact CE1-CD2 4.33Å; I131-L253 HydrophobicContact CB-CD2 4.01Å; I131-L253 HydrophobicContact CG2-CD2 3.46Å; I131-L253 VanDerWaalsContact CG2-CD2 3.46Å; I237-L253 HydrophobicContact CB-CD1 4.15Å; I237-L253 HydrophobicContact CG2-CD1 3.7Å; V249-L253 PolarHBondContact O-N 3.17Å; L250-L253 PolarHBondContact O-N 3.05Å; L253-N255 PolarHBondContact O-N 3.07Å; L253-G256 PolarHBondContact O-N 3.25Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CG2 3.39Å; L253-V257 PolarHBondContact O-N 2.87Å; L253-I286 HydrophobicContact CD2-CD1 3.68Å |
| 254 | K | 98.5 | Very high | 98.3 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 3% | 0.03 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.2 | -47.4 | 177.3 | -178.5 | -147.2 | 82.4 | -151.9 | 0 | 111.6 | F108 E110 L250 K251 G256 V257 K258 | F108-K254 HydrophobicContact CB-CB 3.85Å; F108-K254 HydrophobicContact CB-CD 3.97Å; F108-K254 HydrophobicContact CB-CG 3.54Å; F108-K254 HydrophobicContact CD1-CB 3.95Å; F108-K254 HydrophobicContact CD1-CG 4.34Å; F108-K254 HydrophobicContact CD2-CB 4.17Å; F108-K254 HydrophobicContact CD2-CG 3.7Å; F108-K254 HydrophobicContact CE2-CG 4.46Å; F108-K254 HydrophobicContact CG-CB 3.74Å; F108-K254 HydrophobicContact CG-CG 3.62Å; E110-K254 IonicContact OE1-NZ 3.66Å; E110-K254 PolarHBondContact OE1-NZ 3.02Å; E110-K254 WeakPolarHBondContact OE2-CD 3.49Å; E110-K254 WeakPolarHBondContact OE2-CE 3.38Å; E110-K254 IonicContact OE2-NZ 3.33Å; E110-K254 PolarHBondContact OE2-NZ 3.18Å; L250-K254 WeakPolarHBondContact O-CB 3.23Å; L250-K254 PolarHBondContact O-N 2.85Å; K251-K254 PolarHBondContact O-N 2.99Å; K254-G256 VanDerWaalsContact C-N 3.3Å; K254-G256 PolarHBondContact O-N 3.42Å; K254-V257 PolarHBondContact O-N 2.92Å; K254-K258 HydrophobicContact CG-CD 4.38Å; K254-K258 WeakPolarHBondContact O-CG 3.08Å; K254-K258 PolarHBondContact O-N 3.43Å |
| 255 | N | 98.5 | Very high | 98.3 | Very high | 36 Ų | 36 | 36.4 Ų | 36.4 | 19% | 0.193 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -43 | 177.7 | -72.5 | 1.7 | 0 | 0 | 0 | 111.1 | L170 K251 R252 L253 K258 A259 | L170-N255 HydrophobicContact CD1-CB 4.21Å; K251-N255 VanDerWaalsContact O-CG 3.31Å; K251-N255 PolarHBondContact O-N 2.72Å; K251-N255 PolarHBondContact O-OD1 2.76Å; R252-N255 PolarHBondContact O-N 2.93Å; L253-N255 PolarHBondContact O-N 3.07Å; N255-K258 PolarHBondContact O-N 2.57Å; N255-A259 VanDerWaalsContact O-CB 3.28Å; N255-A259 WeakPolarHBondContact O-CB 3.26Å; N255-A259 PolarHBondContact O-N 3.07Å |
| 256 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | F225 R252 L253 K254 L260 | F225-G256 VanDerWaalsContact CZ-CA 3.5Å; R252-G256 PolarHBondContact O-N 2.99Å; L253-G256 PolarHBondContact O-N 3.25Å; K254-G256 VanDerWaalsContact C-N 3.3Å; K254-G256 PolarHBondContact O-N 3.42Å; G256-L260 WeakPolarHBondContact O-CG 3.21Å; G256-L260 PolarHBondContact O-N 3.09Å |
| 257 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.2 | -53 | 174.1 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | F108 I237 L253 K254 A259 L260 E261 | F108-V257 HydrophobicContact CE2-CB 4.39Å; F108-V257 HydrophobicContact CE2-CG1 4.12Å; F108-V257 HydrophobicContact CZ-CB 4.21Å; F108-V257 HydrophobicContact CZ-CG1 4.18Å; F108-V257 HydrophobicContact CZ-CG2 3.95Å; I237-V257 HydrophobicContact CD1-CB 4.45Å; I237-V257 HydrophobicContact CD1-CG2 3.66Å; L253-V257 HydrophobicContact CG-CG2 4.47Å; L253-V257 WeakPolarHBondContact O-CG2 3.39Å; L253-V257 PolarHBondContact O-N 2.87Å; K254-V257 PolarHBondContact O-N 2.92Å; V257-A259 VanDerWaalsContact C-N 3.32Å; V257-A259 PolarHBondContact O-N 3.29Å; V257-L260 WeakPolarHBondContact O-CB 3.47Å; V257-L260 PolarHBondContact O-N 2.85Å; V257-L260 VanDerWaalsContact O-N 3.07Å; V257-E261 HydrophobicContact CG1-CG 4.39Å; V257-E261 WeakPolarHBondContact O-CG 3.29Å; V257-E261 PolarHBondContact O-N 2.97Å |
| 258 | K | 98.1 | Very high | 98.3 | Very high | 89 Ų | 89 | 38 Ų | 38 | 39% | 0.387 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -57.1 | -43.9 | 178.3 | -73.7 | -175.7 | 175 | -179 | 0 | 112.1 | E110 K254 N255 L260 E261 D262 | E110-K258 IonicContact OE2-NZ 3.68Å; E110-K258 PolarHBondContact OE2-NZ 3.42Å; K254-K258 HydrophobicContact CG-CD 4.38Å; K254-K258 WeakPolarHBondContact O-CG 3.08Å; K254-K258 PolarHBondContact O-N 3.43Å; N255-K258 PolarHBondContact O-N 2.57Å; K258-L260 VanDerWaalsContact C-N 3.26Å; K258-L260 PolarHBondContact O-N 3.46Å; K258-E261 PolarHBondContact O-N 2.96Å; K258-E261 VanDerWaalsContact O-N 3.13Å; K258-D262 VanDerWaalsContact O-CG 3.29Å; K258-D262 PolarHBondContact O-N 3.06Å |
| 259 | A | 98.4 | Very high | 98.3 | Very high | 20 Ų | 20 | 39.4 Ų | 39.4 | 17% | 0.165 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -29.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | F165 L170 N255 V257 | F165-A259 HydrophobicContact CD1-CB 3.72Å; F165-A259 HydrophobicContact CE1-CB 3.45Å; F165-A259 VanDerWaalsContact CE1-CB 3.45Å; F165-A259 HydrophobicContact CZ-CB 4.22Å; L170-A259 HydrophobicContact CD1-CB 4.1Å; N255-A259 VanDerWaalsContact O-CB 3.28Å; N255-A259 WeakPolarHBondContact O-CB 3.26Å; N255-A259 PolarHBondContact O-N 3.07Å; V257-A259 VanDerWaalsContact C-N 3.32Å; V257-A259 PolarHBondContact O-N 3.29Å |
| 260 | L | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.1 | -42.3 | 171.3 | -71.4 | 167.2 | 0 | 0 | 0 | 111.6 | A161 V162 F165 I227 V235 I237 G256 V257 K258 D262 K263 M264 F266 | A161-L260 HydrophobicContact CB-CD2 3.91Å; V162-L260 HydrophobicContact CG1-CD2 4.27Å; F165-L260 HydrophobicContact CE1-CD2 4.31Å; F165-L260 HydrophobicContact CE1-CG 4.39Å; F165-L260 HydrophobicContact CZ-CD2 4Å; F165-L260 HydrophobicContact CZ-CG 4.06Å; I227-L260 HydrophobicContact CD1-CD1 3.89Å; I227-L260 HydrophobicContact CD1-CD2 4.23Å; I227-L260 HydrophobicContact CD1-CG 4.42Å; V235-L260 HydrophobicContact CG1-CD1 4.11Å; I237-L260 HydrophobicContact CD1-CD1 3.46Å; I237-L260 VanDerWaalsContact CD1-CD1 3.46Å; I237-L260 HydrophobicContact CG1-CD1 3.76Å; G256-L260 WeakPolarHBondContact O-CG 3.21Å; G256-L260 PolarHBondContact O-N 3.09Å; V257-L260 WeakPolarHBondContact O-CB 3.47Å; V257-L260 PolarHBondContact O-N 2.85Å; V257-L260 VanDerWaalsContact O-N 3.07Å; K258-L260 VanDerWaalsContact C-N 3.26Å; K258-L260 PolarHBondContact O-N 3.46Å; L260-D262 VanDerWaalsContact C-N 3.26Å; L260-D262 PolarHBondContact O-N 3.16Å; L260-K263 CarbonylContact O-C 3.54Å; L260-K263 WeakPolarHBondContact O-CA 3.4Å; L260-K263 PolarHBondContact O-N 3.4Å; L260-M264 HydrophobicContact CD2-CE 4.23Å; L260-M264 PolarHBondContact O-N 3.38Å; L260-F266 HydrophobicContact CB-CE2 3.95Å; L260-F266 HydrophobicContact CB-CZ 3.89Å; L260-F266 HydrophobicContact CD1-CZ 4.45Å |
| 261 | E | 97.8 | Very high | 98.1 | Very high | 61 Ų | 61 | 47.5 Ų | 47.5 | 29% | 0.285 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -61.7 | -33.8 | 179.4 | -74.3 | 175.7 | 158.3 | 0 | 0 | 112.9 | V257 K258 K263 M264 F266 | V257-E261 HydrophobicContact CG1-CG 4.39Å; V257-E261 WeakPolarHBondContact O-CG 3.29Å; V257-E261 PolarHBondContact O-N 2.97Å; K258-E261 PolarHBondContact O-N 2.96Å; K258-E261 VanDerWaalsContact O-N 3.13Å; E261-K263 PolarHBondContact O-N 2.76Å; E261-K263 VanDerWaalsContact O-N 3.11Å; E261-M264 WeakPolarHBondContact CA-O 3.17Å; E261-M264 PolarHBondContact O-N 2.67Å; E261-F266 HydrophobicContact CG-CD2 3.51Å; E261-F266 HydrophobicContact CG-CE2 3.68Å |
| 262 | D | 97.5 | Very high | 98.1 | Very high | 131 Ų | 131 | 43 Ų | 43 | 70% | 0.701 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.4 | 171.9 | -72.6 | -18.3 | 0 | 0 | 0 | 113.3 | K258 L260 | K258-D262 VanDerWaalsContact O-CG 3.29Å; K258-D262 PolarHBondContact O-N 3.06Å; L260-D262 VanDerWaalsContact C-N 3.26Å; L260-D262 PolarHBondContact O-N 3.16Å |
| 263 | K | 97.9 | Very high | 98.1 | Very high | 125 Ų | 125 | 42.6 Ų | 42.6 | 54% | 0.543 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | -22.6 | -176.1 | -55.6 | -60.2 | 170.4 | -169.5 | 0 | 113.5 | A161 S164 L260 E261 | A161-K263 HydrophobicContact CB-CB 3.69Å; A161-K263 HydrophobicContact CB-CG 4.03Å; S164-K263 WeakPolarHBondContact OG-CE 3.36Å; L260-K263 CarbonylContact O-C 3.54Å; L260-K263 WeakPolarHBondContact O-CA 3.4Å; L260-K263 PolarHBondContact O-N 3.4Å; E261-K263 PolarHBondContact O-N 2.76Å; E261-K263 VanDerWaalsContact O-N 3.11Å |
| 264 | M | 97.4 | Very high | 98.1 | Very high | 17 Ų | 17 | 43 Ų | 43 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -151.4 | 140.4 | 178.2 | 68.1 | -168.8 | 77.4 | 0 | 0 | 111.9 | V137 K157 V158 A161 L260 E261 F266 | V137-M264 HydrophobicContact CG2-SD 3.73Å; K157-M264 WeakPolarHBondContact O-CE 3.44Å; V158-M264 HydrophobicContact CG2-CE 4.25Å; V158-M264 HydrophobicContact CG2-SD 4.39Å; A161-M264 HydrophobicContact CB-CE 3.43Å; A161-M264 VanDerWaalsContact CB-CE 3.43Å; L260-M264 HydrophobicContact CD2-CE 4.23Å; L260-M264 PolarHBondContact O-N 3.38Å; E261-M264 WeakPolarHBondContact CA-O 3.17Å; E261-M264 PolarHBondContact O-N 2.67Å; M264-F266 HydrophobicContact CG-CD1 4.44Å; M264-F266 HydrophobicContact CG-CE1 3.79Å; M264-F266 HydrophobicContact CG-CE2 4.49Å; M264-F266 HydrophobicContact CG-CZ 3.81Å; M264-F266 HydrophobicContact SD-CE1 3.75Å; M264-F266 HydrophobicContact SD-CZ 3.95Å |
| 265 | A | 98.1 | Very high | 98.1 | Very high | 61 Ų | 61 | 42.9 Ų | 42.9 | 50% | 0.504 | 22% | 0.219 | S | C | . | . | P | Polyproline II helix | trans | -77.4 | 135.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | K138 | K138-A265 HydrophobicContact CB-CB 4Å; K138-A265 VanDerWaalsContact CB-O 3.27Å; K138-A265 WeakPolarHBondContact CB-O 3.49Å; K138-A265 HydrophobicContact CD-CB 4.07Å; K138-A265 PolarHBondContact N-O 3.47Å |
| 266 | F | 98.5 | Very high | 98.1 | Very high | 20 Ų | 20 | 41.1 Ų | 41.1 | 9% | 0.088 | 21% | 0.21 | C | C | . | . | B | Isolated β-bridge | trans | -97.4 | 157.7 | 169.6 | -62.6 | -55.1 | 0 | 0 | 0 | 112.1 | R135 T136 V137 V235 L260 E261 M264 F274 | R135-F266 HydrophobicContact CB-CB 4.44Å; R135-F266 HydrophobicContact CB-CD1 3.55Å; R135-F266 HydrophobicContact CB-CD2 3.91Å; R135-F266 HydrophobicContact CB-CE1 3.58Å; R135-F266 HydrophobicContact CB-CE2 3.96Å; R135-F266 HydrophobicContact CB-CG 3.71Å; R135-F266 HydrophobicContact CB-CZ 3.8Å; R135-F266 HydrophobicContact CG-CD1 4.36Å; R135-F266 HydrophobicContact CG-CD2 3.79Å; R135-F266 HydrophobicContact CG-CE1 4.41Å; R135-F266 HydrophobicContact CG-CE2 3.87Å; R135-F266 HydrophobicContact CG-CG 4.05Å; R135-F266 HydrophobicContact CG-CZ 4.18Å; T136-F266 CarbonylContact O-C 3.56Å; T136-F266 VanDerWaalsContact O-CA 3.29Å; T136-F266 WeakPolarHBondContact O-CA 3.11Å; V137-F266 HydrophobicContact CG2-CD1 4.32Å; V137-F266 HydrophobicContact CG2-CE1 4.01Å; V235-F266 HydrophobicContact CG2-CE1 4.13Å; L260-F266 HydrophobicContact CB-CE2 3.95Å; L260-F266 HydrophobicContact CB-CZ 3.89Å; L260-F266 HydrophobicContact CD1-CZ 4.45Å; E261-F266 HydrophobicContact CG-CD2 3.51Å; E261-F266 HydrophobicContact CG-CE2 3.68Å; M264-F266 HydrophobicContact CG-CD1 4.44Å; M264-F266 HydrophobicContact CG-CE1 3.79Å; M264-F266 HydrophobicContact CG-CE2 4.49Å; M264-F266 HydrophobicContact CG-CZ 3.81Å; M264-F266 HydrophobicContact SD-CE1 3.75Å; M264-F266 HydrophobicContact SD-CZ 3.95Å; F266-F274 HydrophobicContact CB-CE1 4.3Å |
| 267 | T | 98.1 | Very high | 98.1 | Very high | 23 Ų | 23 | 41.1 Ų | 41.1 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 120.8 | -179.9 | -51.4 | 0 | 0 | 0 | 0 | 109.9 | P77 T136 K138 V275 | P77-T267 HydrophobicContact CB-CG2 3.87Å; P77-T267 HydrophobicContact CG-CG2 3.92Å; T136-T267 PolarHBondContact O-N 3.23Å; T136-T267 PolarHBondContact O-OG1 3.4Å; K138-T267 WeakPolarHBondContact CA-OG1 3.42Å; T267-V275 HydrophobicContact CG2-CG2 3.54Å |
| 268 | R | 97.9 | Very high | 98.1 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 26% | 0.26 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 136.7 | 174.1 | -169.4 | 177.6 | 178 | -77.5 | -2.6 | 109.2 | Q103 P104 G273 F274 | Q103-R268 PolarHBondContact O-NH2 2.8Å; P104-R268 VanDerWaalsContact C-NH2 3.3Å; P104-R268 PolarHBondContact O-NH2 2.85Å; R268-G273 CarbonylContact C-O 3.59Å; R268-G273 WeakPolarHBondContact CA-O 3.37Å; R268-F274 HydrophobicContact CB-CD1 4.15Å; R268-F274 HydrophobicContact CB-CE1 4.21Å; R268-F274 HydrophobicContact CG-CD1 4.39Å; R268-F274 HydrophobicContact CG-CE1 4.48Å |
| 269 | D | 98 | Very high | 98.1 | Very high | 57 Ų | 57 | 37.5 Ų | 37.5 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139.8 | 171.1 | 179.2 | -94.3 | 0 | 0 | 0 | 109.2 | R271 L272 G273 V275 | D269-R271 PolarHBondContact O-N 3.44Å; D269-R271 WeakPolarHBondContact OD1-CA 3.4Å; D269-R271 VanDerWaalsContact OD1-CB 3.25Å; D269-R271 WeakPolarHBondContact OD1-CB 3.21Å; D269-R271 PolarHBondContact OD1-N 2.86Å; D269-L272 HydrophobicContact CB-CB 4.19Å; D269-L272 PolarHBondContact OD1-N 3.03Å; D269-G273 PolarHBondContact N-O 2.85Å; D269-G273 VanDerWaalsContact O-CA 3.28Å; D269-G273 WeakPolarHBondContact O-CA 3.37Å; D269-G273 PolarHBondContact O-N 3.31Å; D269-V275 HydrophobicContact CB-CG1 3.98Å |
| 270 | D | 96.6 | Very high | 98 | Very high | 125 Ų | 125 | 37.7 Ų | 37.7 | 67% | 0.668 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -27.7 | -176.8 | -65.9 | -15.6 | 0 | 0 | 0 | 112.7 | ||
| 271 | R | 98 | Very high | 97.9 | Very high | 45 Ų | 45 | 38.4 Ų | 38.4 | 17% | 0.17 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -52.4 | 179.1 | -163.6 | -166.5 | 144.5 | -159.5 | -20.8 | 111 | D88 F97 K98 R99 D101 Q103 D269 | D88-R271 IonicContact OD1-CZ 2.96Å; D88-R271 VanDerWaalsContact OD1-CZ 3.31Å; D88-R271 IonicContact OD1-NH1 3.57Å; D88-R271 PolarHBondContact OD1-NH1 2.86Å; D88-R271 IonicContact OD1-NH2 3.63Å; D88-R271 PolarHBondContact OD1-NH2 3.39Å; D88-R271 IonicContact OD2-NH1 3.71Å; F97-R271 HydrophobicContact CE1-CG 4.2Å; F97-R271 WeakPolarHBondContact CE1-O 3.39Å; F97-R271 WeakPolarHBondContact CZ-O 3.47Å; K98-R271 PolarHBondContact O-NH2 2.82Å; K98-R271 VanDerWaalsContact O-NH2 3.1Å; R99-R271 VanDerWaalsContact C-CZ 3.44Å; R99-R271 VanDerWaalsContact CA-CZ 3.4Å; R99-R271 VanDerWaalsContact CA-NH2 3.29Å; R99-R271 WeakPolarHBondContact O-CD 3.11Å; R99-R271 PolarHBondContact O-NE 3.48Å; R99-R271 PolarHBondContact O-NH1 2.98Å; D101-R271 WeakPolarHBondContact O-CG 3.41Å; Q103-R271 WeakPolarHBondContact CB-O 3.4Å; Q103-R271 PolarHBondContact N-O 3.18Å; D269-R271 PolarHBondContact O-N 3.44Å; D269-R271 WeakPolarHBondContact OD1-CA 3.4Å; D269-R271 VanDerWaalsContact OD1-CB 3.25Å; D269-R271 WeakPolarHBondContact OD1-CB 3.21Å; D269-R271 PolarHBondContact OD1-N 2.86Å |
| 272 | L | 98.5 | Very high | 97.9 | Very high | 9 Ų | 9 | 35.5 Ų | 35.5 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | -7.8 | -170 | -58.2 | -179.6 | 0 | 0 | 0 | 113.9 | Y80 I91 F97 D269 V275 G283 M337 | Y80-L272 HydrophobicContact CD1-CD1 4.02Å; Y80-L272 HydrophobicContact CD2-CD1 4.46Å; Y80-L272 HydrophobicContact CG-CD1 3.78Å; I91-L272 HydrophobicContact CD1-CD1 4.46Å; I91-L272 HydrophobicContact CD1-CD2 4.12Å; F97-L272 HydrophobicContact CE1-CD2 4.3Å; D269-L272 HydrophobicContact CB-CB 4.19Å; D269-L272 PolarHBondContact OD1-N 3.03Å; L272-V275 HydrophobicContact CB-CG1 4.07Å; L272-G283 VanDerWaalsContact O-CA 3.23Å; L272-G283 WeakPolarHBondContact O-CA 3.33Å; L272-G283 PolarHBondContact O-N 3.44Å; L272-M337 HydrophobicContact CB-CE 4.3Å; L272-M337 HydrophobicContact CD2-CE 3.88Å |
| 273 | G | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 75 | -148.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113 | R268 D269 V275 | R268-G273 CarbonylContact C-O 3.59Å; R268-G273 WeakPolarHBondContact CA-O 3.37Å; D269-G273 PolarHBondContact N-O 2.85Å; D269-G273 VanDerWaalsContact O-CA 3.28Å; D269-G273 WeakPolarHBondContact O-CA 3.37Å; D269-G273 PolarHBondContact O-N 3.31Å; G273-V275 PolarHBondContact O-N 3.1Å |
| 274 | F | 98.7 | Very high | 98 | Very high | 8 Ų | 8 | 23.3 Ų | 23.3 | 4% | 0.035 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 120.8 | 172.1 | -67.5 | -77.7 | 0 | 0 | 0 | 109 | E106 R135 F266 R268 G283 T285 | E106-F274 HydrophobicContact CB-CE2 4.25Å; E106-F274 HydrophobicContact CB-CZ 4.46Å; E106-F274 HydrophobicContact CG-CE2 4.12Å; E106-F274 HydrophobicContact CG-CZ 4.39Å; E106-F274 WeakPolarHBondContact OE2-CE2 3.37Å; E106-F274 WeakPolarHBondContact OE2-CZ 3.41Å; R135-F274 VanDerWaalsContact CZ-CE2 3.47Å; F266-F274 HydrophobicContact CB-CE1 4.3Å; R268-F274 HydrophobicContact CB-CD1 4.15Å; R268-F274 HydrophobicContact CB-CE1 4.21Å; R268-F274 HydrophobicContact CG-CD1 4.39Å; R268-F274 HydrophobicContact CG-CE1 4.48Å; F274-G283 WeakPolarHBondContact CB-O 3.26Å; F274-G283 PolarHBondContact N-O 3.06Å; F274-G283 PolarHBondContact O-N 3.01Å; F274-T285 HydrophobicContact CB-CG2 3.77Å |
| 275 | V | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.024 | 12% | 0.122 | C | C | . | . | trans | -94.8 | 134.7 | -178 | -66.3 | 0 | 0 | 0 | 0 | 110 | P77 Y80 T136 F142 T267 D269 L272 G273 L282 | P77-V275 HydrophobicContact CB-CG2 3.91Å; P77-V275 HydrophobicContact CG-CG2 4.21Å; Y80-V275 HydrophobicContact CD2-CB 4.26Å; Y80-V275 HydrophobicContact CD2-CG1 4.19Å; Y80-V275 HydrophobicContact CE2-CB 4.18Å; Y80-V275 HydrophobicContact CE2-CG1 4.46Å; T136-V275 VanDerWaalsContact CB-O 3.31Å; T136-V275 WeakPolarHBondContact CB-O 3.33Å; T136-V275 PolarHBondContact OG1-O 2.97Å; F142-V275 HydrophobicContact CZ-CG2 4.44Å; T267-V275 HydrophobicContact CG2-CG2 3.54Å; D269-V275 HydrophobicContact CB-CG1 3.98Å; L272-V275 HydrophobicContact CB-CG1 4.07Å; G273-V275 PolarHBondContact O-N 3.1Å; V275-L282 HydrophobicContact CB-CD2 4.25Å; V275-L282 HydrophobicContact CG1-CD2 4.29Å | ||
| 276 | T | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | -127.2 | 175.4 | -175.2 | 56.1 | 0 | 0 | 0 | 0 | 109.9 | Y80 A134 F142 D233 C278 N281 T285 | Y80-T276 PolarHBondContact OH-O 3.28Å; A134-T276 HydrophobicContact CB-CG2 3.81Å; F142-T276 WeakPolarHBondContact CE2-O 3.05Å; F142-T276 VanDerWaalsContact CZ-O 3.26Å; F142-T276 WeakPolarHBondContact CZ-O 3.43Å; D233-T276 VanDerWaalsContact OD1-CB 3.22Å; D233-T276 WeakPolarHBondContact OD1-CB 3.48Å; T276-C278 VanDerWaalsContact C-N 3.29Å; T276-C278 PolarHBondContact O-N 3.26Å; T276-C278 PolarHBondContact OG1-O 2.99Å; T276-C278 VanDerWaalsContact OG1-O 3.12Å; T276-N281 WeakPolarHBondContact CB-O 3.25Å; T276-N281 WeakPolarHBondContact CG2-O 3.2Å; T276-N281 VanDerWaalsContact OG1-C 3.27Å; T276-N281 PolarHBondContact OG1-O 3.31Å; T276-T285 HydrophobicContact CG2-CG2 3.72Å | ||
| 277 | F | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -61.9 | -38.3 | 179 | 178.3 | -132.6 | 0 | 0 | 0 | 112.7 | Y73 A74 F142 N143 P144 L202 A205 A207 E232 D233 | Y73-F277 VanDerWaalsContact CB-CE2 3.48Å; Y73-F277 AromaticContact CD1-CD1 3.63Å; Y73-F277 HydrophobicContact CD1-CD1 3.63Å; Y73-F277 HydrophobicContact CD1-CD2 4.38Å; Y73-F277 AromaticContact CD1-CE1 3.43Å; Y73-F277 HydrophobicContact CD1-CE1 3.43Å; Y73-F277 VanDerWaalsContact CD1-CE1 3.43Å; Y73-F277 HydrophobicContact CD1-CE2 4.2Å; Y73-F277 HydrophobicContact CD1-CG 4.13Å; Y73-F277 AromaticContact CD1-CZ 3.75Å; Y73-F277 HydrophobicContact CD1-CZ 3.75Å; Y73-F277 HydrophobicContact CE1-CD1 4.17Å; Y73-F277 AromaticContact CE1-CE1 3.96Å; Y73-F277 HydrophobicContact CE1-CE1 3.96Å; Y73-F277 HydrophobicContact CG-CD1 4.46Å; Y73-F277 AromaticContact CG-CE1 3.92Å; Y73-F277 HydrophobicContact CG-CE1 3.92Å; Y73-F277 HydrophobicContact CG-CE2 4.13Å; Y73-F277 AromaticContact CG-CZ 3.76Å; Y73-F277 HydrophobicContact CG-CZ 3.76Å; A74-F277 PolarHBondContact N-O 3.49Å; A74-F277 WeakPolarHBondContact O-CD2 3.46Å; A74-F277 WeakPolarHBondContact O-CE2 3.25Å; F142-F277 HydrophobicContact CB-CB 4.37Å; F142-F277 HydrophobicContact CB-CD2 3.64Å; F142-F277 HydrophobicContact CB-CE2 4.37Å; F142-F277 HydrophobicContact CB-CG 4.39Å; F142-F277 HydrophobicContact CD1-CB 4.27Å; F142-F277 HydrophobicContact CG-CB 4.31Å; F142-F277 HydrophobicContact CG-CD2 4.21Å; N143-F277 HydrophobicContact CB-CE1 4.48Å; N143-F277 HydrophobicContact CB-CE2 4.26Å; N143-F277 HydrophobicContact CB-CZ 4.15Å; N143-F277 VanDerWaalsContact ND2-CD1 3.28Å; N143-F277 WeakPolarHBondContact ND2-CD1 3.47Å; N143-F277 WeakPolarHBondContact ND2-CE1 3.45Å; P144-F277 HydrophobicContact CG-CE2 3.74Å; P144-F277 HydrophobicContact CG-CZ 4.27Å; L202-F277 HydrophobicContact CD2-CD1 4.43Å; L202-F277 HydrophobicContact CD2-CE1 4.07Å; A205-F277 HydrophobicContact CB-CE1 3.95Å; A205-F277 HydrophobicContact CB-CZ 3.5Å; A205-F277 WeakPolarHBondContact O-CZ 3.34Å; A207-F277 HydrophobicContact CB-CE1 3.93Å; E232-F277 HydrophobicContact CG-CD1 4.04Å; D233-F277 WeakPolarHBondContact OD1-CB 3.47Å; D233-F277 PolarHBondContact OD1-N 2.84Å |
| 278 | C | 98 | Very high | 98.1 | Very high | 9 Ų | 9 | 18.7 Ų | 18.7 | 6% | 0.061 | 9% | 0.091 | C | C | . | . | S | Bend | trans | -101.9 | 125.9 | -176.1 | -173.5 | 0 | 0 | 0 | 0 | 111.2 | Y73 T276 T280 N281 | Y73-C278 HydrophobicContact CD1-CB 3.98Å; Y73-C278 HydrophobicContact CE1-CB 3.87Å; T276-C278 VanDerWaalsContact C-N 3.29Å; T276-C278 PolarHBondContact O-N 3.26Å; T276-C278 PolarHBondContact OG1-O 2.99Å; T276-C278 VanDerWaalsContact OG1-O 3.12Å; C278-T280 PolarHBondContact O-N 2.89Å; C278-T280 PolarHBondContact SG-OG1 3.11Å; C278-N281 PolarHBondContact O-N 2.92Å |
| 279 | P | 98 | Very high | 98.1 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.019 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -61.2 | -17.2 | 178.6 | 27 | -36.3 | 0 | 0 | 0 | 113.8 | V70 A72 Y80 F87 I91 H95 N281 L282 | V70-P279 HydrophobicContact CG1-CG 4Å; A72-P279 WeakPolarHBondContact O-CD 3.13Å; A72-P279 WeakPolarHBondContact O-CG 3.19Å; Y80-P279 HydrophobicContact CE1-CB 4.09Å; Y80-P279 WeakPolarHBondContact OH-CA 3.42Å; F87-P279 HydrophobicContact CD1-CB 4.28Å; F87-P279 HydrophobicContact CE1-CB 4.36Å; F87-P279 HydrophobicContact CE1-CG 4.39Å; I91-P279 HydrophobicContact CG1-CB 4.48Å; H95-P279 PolarHBondContact NE2-O 2.85Å; P279-N281 PolarHBondContact O-N 3.26Å; P279-L282 WeakPolarHBondContact O-CG 3.4Å |
| 280 | T | 96.5 | Very high | 98.1 | Very high | 25 Ų | 25 | 13.1 Ų | 13.1 | 15% | 0.153 | 7% | 0.067 | C | C | . | . | G | 310 helix | trans | -75.8 | -10.7 | 174.8 | 72.3 | 0 | 0 | 0 | 0 | 113.1 | V70 Y94 H95 C278 R336 | V70-T280 HydrophobicContact CG2-CG2 3.67Å; Y94-T280 HydrophobicContact CD1-CG2 4.26Å; Y94-T280 HydrophobicContact CD2-CG2 3.99Å; Y94-T280 HydrophobicContact CE1-CG2 3.95Å; Y94-T280 HydrophobicContact CE2-CG2 3.65Å; Y94-T280 HydrophobicContact CG-CG2 4.28Å; H95-T280 PolarHBondContact CE1-O 3.26Å; C278-T280 PolarHBondContact O-N 2.89Å; C278-T280 PolarHBondContact SG-OG1 3.11Å; T280-R336 PolarHBondContact O-NH1 3.02Å |
| 281 | N | 97.2 | Very high | 98.1 | Very high | 14 Ų | 14 | 10 Ų | 10 | 8% | 0.075 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -120.9 | 45.6 | -174.6 | -165.9 | 33.9 | 0 | 0 | 0 | 112.1 | A134 T276 C278 P279 T285 | A134-N281 WeakPolarHBondContact CB-ND2 3.28Å; T276-N281 WeakPolarHBondContact CB-O 3.25Å; T276-N281 WeakPolarHBondContact CG2-O 3.2Å; T276-N281 VanDerWaalsContact OG1-C 3.27Å; T276-N281 PolarHBondContact OG1-O 3.31Å; C278-N281 PolarHBondContact O-N 2.92Å; P279-N281 PolarHBondContact O-N 3.26Å; N281-T285 WeakPolarHBondContact O-CG2 3.44Å |
| 282 | L | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 7.8 Ų | 7.8 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | -97.8 | 178 | 177.4 | -61.5 | 176.8 | 0 | 0 | 0 | 112.1 | Y80 I91 V275 P279 M337 | Y80-L282 HydrophobicContact CD1-CD1 4.36Å; Y80-L282 HydrophobicContact CE1-CD1 3.78Å; Y80-L282 HydrophobicContact CE1-CD2 4.32Å; Y80-L282 HydrophobicContact CE2-CD2 3.95Å; I91-L282 HydrophobicContact CD1-CD1 3.67Å; I91-L282 HydrophobicContact CG1-CD1 3.99Å; V275-L282 HydrophobicContact CB-CD2 4.25Å; V275-L282 HydrophobicContact CG1-CD2 4.29Å; P279-L282 WeakPolarHBondContact O-CG 3.4Å; L282-M337 HydrophobicContact CB-CE 3.84Å; L282-M337 HydrophobicContact CB-CG 4.2Å; L282-M337 HydrophobicContact CB-SD 3.71Å; L282-M337 HydrophobicContact CD1-CE 4.41Å; L282-M337 HydrophobicContact CD1-SD 4.46Å | ||
| 283 | G | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | 83.1 | -121.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L272 F274 | L272-G283 VanDerWaalsContact O-CA 3.23Å; L272-G283 WeakPolarHBondContact O-CA 3.33Å; L272-G283 PolarHBondContact O-N 3.44Å; F274-G283 WeakPolarHBondContact CB-O 3.26Å; F274-G283 PolarHBondContact N-O 3.06Å; F274-G283 PolarHBondContact O-N 3.01Å |
| 284 | T | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.058 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -26 | 172.7 | 59.8 | 0 | 0 | 0 | 0 | 112.3 | R135 I286 R336 I339 T340 E341 | R135-T284 PolarHBondContact NH1-O 3.3Å; T284-I286 PolarHBondContact O-N 3.03Å; T284-I286 VanDerWaalsContact O-N 3.16Å; T284-I286 PolarHBondContact OG1-N 3.19Å; T284-I286 VanDerWaalsContact OG1-N 3.09Å; T284-R336 WeakPolarHBondContact CG2-O 3.13Å; T284-R336 PolarHBondContact N-O 3.03Å; T284-R336 PolarHBondContact OG1-O 3.01Å; T284-I339 WeakPolarHBondContact CG2-O 3.18Å; T284-T340 VanDerWaalsContact CG2-C 3.41Å; T284-E341 WeakPolarHBondContact CA-OE1 3Å; T284-E341 HydrophobicContact CG2-CG 4.21Å |
| 285 | T | 98.4 | Very high | 97.7 | Very high | 3 Ų | 3 | 14.3 Ų | 14.3 | 2% | 0.018 | 7% | 0.074 | C | C | . | . | trans | 59.3 | 9.6 | -165.7 | 76.1 | 0 | 0 | 0 | 0 | 114 | C133 A134 R135 F274 T276 N281 R287 | C133-T285 WeakPolarHBondContact CA-O 3.44Å; C133-T285 WeakPolarHBondContact CB-OG1 3.41Å; A134-T285 PolarHBondContact N-OG1 2.96Å; A134-T285 PolarHBondContact O-OG1 2.94Å; R135-T285 PolarHBondContact NH1-OG1 2.67Å; F274-T285 HydrophobicContact CB-CG2 3.77Å; T276-T285 HydrophobicContact CG2-CG2 3.72Å; N281-T285 WeakPolarHBondContact O-CG2 3.44Å; T285-R287 PolarHBondContact O-N 2.79Å | ||
| 286 | I | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.092 | C | C | . | . | trans | -73.6 | 128.4 | -176.8 | -71.3 | -76.2 | 0 | 0 | 0 | 109.9 | F108 I131 R132 C133 L253 T284 A288 N333 E341 A344 V345 | F108-I286 HydrophobicContact CE1-CD1 4.21Å; I131-I286 HydrophobicContact CG2-CD1 4.08Å; I131-I286 HydrophobicContact CG2-CG2 4.07Å; R132-I286 CarbonylContact O-C 3.56Å; R132-I286 WeakPolarHBondContact O-CA 3.42Å; C133-I286 HydrophobicContact CB-CD1 3.81Å; C133-I286 HydrophobicContact CB-CG1 4.43Å; L253-I286 HydrophobicContact CD2-CD1 3.68Å; T284-I286 PolarHBondContact O-N 3.03Å; T284-I286 VanDerWaalsContact O-N 3.16Å; T284-I286 PolarHBondContact OG1-N 3.19Å; T284-I286 VanDerWaalsContact OG1-N 3.09Å; I286-A288 HydrophobicContact CG2-CB 4.32Å; I286-N333 PolarHBondContact O-ND2 3.31Å; I286-E341 HydrophobicContact CD1-CB 4.41Å; I286-E341 HydrophobicContact CD1-CG 4.29Å; I286-E341 HydrophobicContact CG1-CB 3.94Å; I286-E341 HydrophobicContact CG1-CG 3.75Å; I286-A344 HydrophobicContact CB-CB 4.04Å; I286-A344 HydrophobicContact CG2-CB 3.87Å; I286-V345 HydrophobicContact CG2-CG2 3.99Å | ||
| 287 | R | 97.9 | Very high | 97.4 | Very high | 21 Ų | 21 | 18.5 Ų | 18.5 | 8% | 0.079 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 105.3 | 156.7 | -173.3 | 171.2 | 174.3 | -147.1 | -23.4 | 108.6 | I131 R132 T285 R315 D330 S332 N333 | I131-R287 WeakPolarHBondContact CA-O 2.98Å; R132-R287 HydrophobicContact CG-CB 4.07Å; R132-R287 PolarHBondContact N-O 2.73Å; R132-R287 PolarHBondContact O-N 3.36Å; T285-R287 PolarHBondContact O-N 2.79Å; R287-R315 VanDerWaalsContact NH1-NH1 3.13Å; R287-D330 IonicContact CZ-OD2 3.81Å; R287-D330 IonicContact NH2-OD1 3.99Å; R287-D330 PolarHBondContact NH2-OD1 2.83Å; R287-D330 IonicContact NH2-OD2 2.72Å; R287-D330 PolarHBondContact NH2-OD2 3.1Å; R287-S332 PolarHBondContact NE-OG 3.26Å; R287-N333 WeakPolarHBondContact CA-OD1 3.16Å |
| 288 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.3 | 167.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | R130 I131 I286 S332 N333 V345 M348 | R130-A288 CarbonylContact O-C 3.57Å; I131-A288 HydrophobicContact CG1-CB 4Å; I131-A288 HydrophobicContact CG2-CB 4.11Å; I286-A288 HydrophobicContact CG2-CB 4.32Å; A288-S332 WeakPolarHBondContact O-CA 3.5Å; A288-S332 WeakPolarHBondContact O-CB 3.2Å; A288-N333 PolarHBondContact N-OD1 3.33Å; A288-N333 PolarHBondContact O-N 2.81Å; A288-N333 VanDerWaalsContact O-N 3.17Å; A288-N333 PolarHBondContact O-OD1 2.86Å; A288-N333 VanDerWaalsContact O-OD1 3.1Å; A288-V345 HydrophobicContact CB-CB 4.33Å; A288-V345 HydrophobicContact CB-CG1 4.37Å; A288-V345 HydrophobicContact CB-CG2 4Å; A288-M348 HydrophobicContact CB-CB 4.03Å; A288-M348 HydrophobicContact CB-CE 3.72Å; A288-M348 HydrophobicContact CB-CG 4.31Å |
| 289 | S | 98.2 | Very high | 96.8 | Very high | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.063 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 158.9 | 179.4 | 74.6 | 0 | 0 | 0 | 0 | 113.4 | R130 D330 I331 | R130-S289 PolarHBondContact N-O 3.23Å; R130-S289 PolarHBondContact O-N 3.45Å; S289-D330 VanDerWaalsContact CB-OD1 3.29Å; S289-D330 WeakPolarHBondContact CB-OD1 3.44Å; S289-I331 CarbonylContact C-O 3.57Å; S289-I331 WeakPolarHBondContact CA-O 3.46Å; S289-I331 VanDerWaalsContact CB-O 3.32Å; S289-I331 WeakPolarHBondContact CB-O 3.43Å |
| 290 | V | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 144.2 | 169.1 | -63.6 | 0 | 0 | 0 | 0 | 109.9 | I126 S128 T129 I292 D330 I331 M348 V352 | I126-V290 HydrophobicContact CD1-CG1 4.4Å; I126-V290 HydrophobicContact CG2-CB 4.21Å; I126-V290 HydrophobicContact CG2-CG1 4.24Å; S128-V290 CarbonylContact O-C 3.59Å; S128-V290 VanDerWaalsContact O-CA 3.29Å; S128-V290 WeakPolarHBondContact O-CA 3.47Å; T129-V290 HydrophobicContact CG2-CG1 4.37Å; V290-I292 HydrophobicContact CG2-CB 4.01Å; V290-I292 HydrophobicContact CG2-CG2 4.02Å; V290-D330 WeakPolarHBondContact O-CA 3.46Å; V290-I331 HydrophobicContact CG2-CB 4.1Å; V290-I331 PolarHBondContact N-O 3Å; V290-I331 PolarHBondContact O-N 3.28Å; V290-M348 HydrophobicContact CG1-CE 4.26Å; V290-M348 HydrophobicContact CG1-SD 3.91Å; V290-V352 HydrophobicContact CG2-CB 4.48Å; V290-V352 HydrophobicContact CG2-CG1 4.01Å; V290-V352 HydrophobicContact CG2-CG2 3.59Å |
| 291 | H | 97.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 35.4 Ų | 35.4 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 118.9 | 156.9 | -69.7 | 163.8 | 0 | 0 | 0 | 107.9 | I127 S128 F329 | I127-H291 HydrophobicContact CB-CB 4.11Å; I127-H291 PolarHBondContact N-O 3.07Å; S128-H291 PolarHBondContact O-N 3.18Å; S128-H291 PolarHBondContact OG-ND1 2.93Å; H291-F329 WeakPolarHBondContact CA-O 3.21Å |
| 292 | I | 97.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 141.3 | -171 | -171.2 | 170.6 | 0 | 0 | 0 | 111.7 | Y125 I126 V290 L294 I328 F329 I331 V352 I356 | Y125-I292 CarbonylContact O-C 3.35Å; Y125-I292 WeakPolarHBondContact O-CA 3.39Å; I126-I292 HydrophobicContact CG1-CD1 4Å; I126-I292 HydrophobicContact CG1-CG1 4.14Å; V290-I292 HydrophobicContact CG2-CB 4.01Å; V290-I292 HydrophobicContact CG2-CG2 4.02Å; I292-L294 HydrophobicContact CD1-CD2 3.89Å; I292-L294 HydrophobicContact CD1-CG 4.22Å; I292-L294 HydrophobicContact CG1-CD2 4.09Å; I292-L294 HydrophobicContact CG1-CG 4.04Å; I292-L294 HydrophobicContact CG2-CD1 3.88Å; I292-L294 HydrophobicContact CG2-CG 4.04Å; I292-I328 WeakPolarHBondContact O-CA 3.48Å; I292-F329 PolarHBondContact N-O 3.39Å; I292-F329 PolarHBondContact O-N 3.29Å; I292-I331 HydrophobicContact CG2-CB 4.33Å; I292-I331 HydrophobicContact CG2-CG1 3.54Å; I292-V352 HydrophobicContact CD1-CG1 3.83Å; I292-I356 HydrophobicContact CD1-CD1 4.06Å; I292-I356 HydrophobicContact CD1-CG1 3.73Å |
| 293 | K | 96.6 | Very high | 96.2 | Very high | 96 Ų | 96 | 37.6 Ų | 37.6 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.8 | 172.4 | -60.7 | 171.6 | -176.6 | 170.9 | 0 | 109.2 | Y125 I127 P295 I328 | Y125-K293 PolarHBondContact O-N 3.35Å; I127-K293 HydrophobicContact CD1-CG 4.06Å; I127-K293 HydrophobicContact CG1-CG 4.26Å; K293-P295 VanDerWaalsContact C-CD 3.43Å; K293-I328 HydrophobicContact CG-CG1 4.18Å |
| 294 | L | 95.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -131 | 51.5 | -179.3 | -69.1 | 178.8 | 0 | 0 | 0 | 111.4 | I292 K296 V297 S298 F303 G327 F329 L355 E359 | I292-L294 HydrophobicContact CD1-CD2 3.89Å; I292-L294 HydrophobicContact CD1-CG 4.22Å; I292-L294 HydrophobicContact CG1-CD2 4.09Å; I292-L294 HydrophobicContact CG1-CG 4.04Å; I292-L294 HydrophobicContact CG2-CD1 3.88Å; I292-L294 HydrophobicContact CG2-CG 4.04Å; L294-K296 PolarHBondContact O-N 2.9Å; L294-K296 VanDerWaalsContact O-N 3.12Å; L294-V297 HydrophobicContact CB-CG1 3.76Å; L294-V297 HydrophobicContact CD1-CG1 4.15Å; L294-V297 HydrophobicContact CD2-CG1 3.86Å; L294-V297 HydrophobicContact CG-CG1 4.12Å; L294-S298 WeakPolarHBondContact O-CB 3.45Å; L294-S298 PolarHBondContact O-N 2.51Å; L294-S298 VanDerWaalsContact O-N 3.12Å; L294-S298 PolarHBondContact O-OG 2.86Å; L294-F303 HydrophobicContact CD1-CE2 4.16Å; L294-F303 HydrophobicContact CD1-CZ 4.2Å; L294-G327 PolarHBondContact N-O 3.4Å; L294-F329 HydrophobicContact CB-CD2 4.46Å; L294-L355 HydrophobicContact CD1-CB 4.24Å; L294-L355 HydrophobicContact CD1-CD1 3.99Å; L294-L355 HydrophobicContact CD2-CB 4.36Å; L294-E359 HydrophobicContact CD2-CB 4.04Å; L294-E359 HydrophobicContact CD2-CG 4.23Å | ||
| 295 | P | 94 | Very high | 95.7 | Very high | 58 Ų | 58 | 47.6 Ų | 47.6 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -22 | -168.8 | 26.9 | -36.4 | 0 | 0 | 0 | 114.5 | K293 Q299 E359 | K293-P295 VanDerWaalsContact C-CD 3.43Å; P295-Q299 VanDerWaalsContact O-CD 3.29Å; P295-Q299 VanDerWaalsContact O-CG 3.3Å; P295-Q299 WeakPolarHBondContact O-CG 3.41Å; P295-Q299 PolarHBondContact O-NE2 3.03Å; P295-E359 WeakPolarHBondContact CD-OE1 3.36Å; P295-E359 WeakPolarHBondContact CG-OE1 3.42Å |
| 296 | K | 95.6 | Very high | 95.7 | Very high | 91 Ų | 91 | 48.2 Ų | 48.2 | 40% | 0.396 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -54.1 | -179.9 | -56.9 | 171.4 | -174.4 | 175.2 | 0 | 112 | L294 S298 Q299 E359 R362 | L294-K296 PolarHBondContact O-N 2.9Å; L294-K296 VanDerWaalsContact O-N 3.12Å; K296-S298 VanDerWaalsContact C-N 3.26Å; K296-S298 PolarHBondContact O-N 3.05Å; K296-Q299 WeakPolarHBondContact O-CB 3.41Å; K296-Q299 PolarHBondContact O-N 3.21Å; K296-Q299 VanDerWaalsContact O-N 3.16Å; K296-E359 WeakPolarHBondContact CB-OE1 3.33Å; K296-E359 WeakPolarHBondContact CB-OE2 3.45Å; K296-E359 VanDerWaalsContact CG-OE1 3.26Å; K296-E359 WeakPolarHBondContact CG-OE1 3.45Å; K296-E359 PolarHBondContact N-OE1 3.2Å; K296-E359 PolarHBondContact N-OE2 2.57Å; K296-E359 VanDerWaalsContact N-OE2 3.11Å; K296-R362 HydrophobicContact CB-CB 4Å; K296-R362 HydrophobicContact CD-CB 3.86Å; K296-R362 WeakPolarHBondContact CD-OXT 3.37Å; K296-R362 WeakPolarHBondContact CE-OXT 3.37Å; K296-R362 PolarHBondContact NZ-OXT 3.19Å |
| 297 | V | 95 | Very high | 95.6 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -66.4 | -31.1 | -175.7 | 73.5 | 0 | 0 | 0 | 0 | 111.4 | L294 Q299 R300 F303 M358 E359 | L294-V297 HydrophobicContact CB-CG1 3.76Å; L294-V297 HydrophobicContact CD1-CG1 4.15Å; L294-V297 HydrophobicContact CD2-CG1 3.86Å; L294-V297 HydrophobicContact CG-CG1 4.12Å; V297-Q299 PolarHBondContact O-N 2.97Å; V297-R300 WeakPolarHBondContact O-CB 3.28Å; V297-R300 WeakPolarHBondContact O-CG 3.47Å; V297-R300 PolarHBondContact O-N 3.36Å; V297-F303 HydrophobicContact CG1-CD2 4.44Å; V297-F303 HydrophobicContact CG1-CE2 4.2Å; V297-F303 HydrophobicContact CG2-CD2 4.48Å; V297-M358 HydrophobicContact CB-CB 4.47Å; V297-M358 HydrophobicContact CG2-CB 3.81Å; V297-M358 HydrophobicContact CG2-SD 4.24Å; V297-E359 HydrophobicContact CG1-CB 4.39Å; V297-E359 WeakPolarHBondContact CG1-OE2 3.26Å; V297-E359 PolarHBondContact N-OE2 2.75Å |
| 298 | S | 93.2 | Very high | 95.4 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -70.7 | -12.2 | 177.4 | 81.9 | 0 | 0 | 0 | 0 | 114.4 | L294 K296 R300 | L294-S298 WeakPolarHBondContact O-CB 3.45Å; L294-S298 PolarHBondContact O-N 2.51Å; L294-S298 VanDerWaalsContact O-N 3.12Å; L294-S298 PolarHBondContact O-OG 2.86Å; K296-S298 VanDerWaalsContact C-N 3.26Å; K296-S298 PolarHBondContact O-N 3.05Å; S298-R300 VanDerWaalsContact C-N 3.29Å |
| 299 | Q | 91.9 | Very high | 95.3 | Very high | 160 Ų | 160 | 57.8 Ų | 57.8 | 75% | 0.748 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -82.5 | -8.3 | 176 | -62.1 | -179.3 | 12.7 | 0 | 0 | 112.5 | P295 K296 V297 | P295-Q299 VanDerWaalsContact O-CD 3.29Å; P295-Q299 VanDerWaalsContact O-CG 3.3Å; P295-Q299 WeakPolarHBondContact O-CG 3.41Å; P295-Q299 PolarHBondContact O-NE2 3.03Å; K296-Q299 WeakPolarHBondContact O-CB 3.41Å; K296-Q299 PolarHBondContact O-N 3.21Å; K296-Q299 VanDerWaalsContact O-N 3.16Å; V297-Q299 PolarHBondContact O-N 2.97Å |
| 300 | R | 93.2 | Very high | 95.3 | Very high | 72 Ų | 72 | 59.5 Ų | 59.5 | 27% | 0.272 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -71.5 | 139.4 | 177.8 | -59.4 | 169.9 | 58.3 | 161.3 | -0.6 | 110.5 | V297 S298 D302 F303 | V297-R300 WeakPolarHBondContact O-CB 3.28Å; V297-R300 WeakPolarHBondContact O-CG 3.47Å; V297-R300 PolarHBondContact O-N 3.36Å; S298-R300 VanDerWaalsContact C-N 3.29Å; R300-D302 WeakPolarHBondContact CB-OD1 3.32Å; R300-D302 IonicContact CZ-OD1 2.57Å; R300-D302 IonicContact CZ-OD2 2.71Å; R300-D302 IonicContact NE-OD1 2.78Å; R300-D302 PolarHBondContact NE-OD1 2.87Å; R300-D302 IonicContact NE-OD2 3.68Å; R300-D302 IonicContact NH2-OD1 2.76Å; R300-D302 PolarHBondContact NH2-OD1 2.71Å; R300-D302 IonicContact NH2-OD2 3.73Å; R300-D302 PolarHBondContact NH2-OD2 3.43Å; R300-D302 PolarHBondContact O-N 2.95Å; R300-F303 WeakPolarHBondContact O-CB 3.13Å; R300-F303 PolarHBondContact O-N 3.24Å; R300-F303 VanDerWaalsContact O-N 3.16Å |
| 301 | S | 93.2 | Very high | 95.1 | Very high | 133 Ų | 133 | 63.1 Ų | 63.1 | 93% | 0.93 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -23.1 | 176 | 51.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 302 | D | 95.1 | Very high | 95.1 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 28% | 0.283 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 6.8 | 178.8 | 66.8 | -18.3 | 0 | 0 | 0 | 113.9 | R300 Q304 N305 I306 | R300-D302 WeakPolarHBondContact CB-OD1 3.32Å; R300-D302 IonicContact CZ-OD1 2.57Å; R300-D302 IonicContact CZ-OD2 2.71Å; R300-D302 IonicContact NE-OD1 2.78Å; R300-D302 PolarHBondContact NE-OD1 2.87Å; R300-D302 IonicContact NE-OD2 3.68Å; R300-D302 IonicContact NH2-OD1 2.76Å; R300-D302 PolarHBondContact NH2-OD1 2.71Å; R300-D302 IonicContact NH2-OD2 3.73Å; R300-D302 PolarHBondContact NH2-OD2 3.43Å; R300-D302 PolarHBondContact O-N 2.95Å; D302-Q304 VanDerWaalsContact C-N 3.3Å; D302-Q304 PolarHBondContact O-N 3.3Å; D302-N305 WeakPolarHBondContact O-CA 3.45Å; D302-N305 WeakPolarHBondContact O-CB 3.48Å; D302-N305 PolarHBondContact O-N 3.32Å; D302-I306 WeakPolarHBondContact O-CG1 3.29Å; D302-I306 PolarHBondContact O-N 2.75Å |
| 303 | F | 94.1 | Very high | 94.9 | Very high | 7 Ų | 7 | 63.2 Ų | 63.2 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.4 | -41.6 | -176 | 175 | -110.3 | 0 | 0 | 0 | 113.9 | L294 V297 R300 N305 I306 C307 A314 F329 I331 L355 | L294-F303 HydrophobicContact CD1-CE2 4.16Å; L294-F303 HydrophobicContact CD1-CZ 4.2Å; V297-F303 HydrophobicContact CG1-CD2 4.44Å; V297-F303 HydrophobicContact CG1-CE2 4.2Å; V297-F303 HydrophobicContact CG2-CD2 4.48Å; R300-F303 WeakPolarHBondContact O-CB 3.13Å; R300-F303 PolarHBondContact O-N 3.24Å; R300-F303 VanDerWaalsContact O-N 3.16Å; F303-N305 VanDerWaalsContact C-N 3.35Å; F303-I306 PolarHBondContact O-N 3.38Å; F303-C307 PolarHBondContact O-N 3.07Å; F303-C307 PolarHBondContact O-SG 3.21Å; F303-A314 HydrophobicContact CE1-CB 4.21Å; F303-F329 HydrophobicContact CD1-CE1 4.49Å; F303-F329 HydrophobicContact CD1-CZ 4.49Å; F303-F329 HydrophobicContact CE1-CD1 4.04Å; F303-F329 AromaticContact CE1-CE1 3.66Å; F303-F329 HydrophobicContact CE1-CE1 3.66Å; F303-F329 HydrophobicContact CE1-CE2 4.37Å; F303-F329 AromaticContact CE1-CZ 3.85Å; F303-F329 HydrophobicContact CE1-CZ 3.85Å; F303-F329 HydrophobicContact CZ-CD1 4.45Å; F303-F329 HydrophobicContact CZ-CE1 4.39Å; F303-F329 HydrophobicContact CZ-CZ 4.42Å; F303-I331 HydrophobicContact CZ-CD1 4.42Å; F303-L355 HydrophobicContact CE2-CD2 4.18Å |
| 304 | Q | 92.2 | Very high | 94.7 | Very high | 106 Ų | 106 | 59.5 Ų | 59.5 | 50% | 0.495 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67 | -37 | 177.4 | -68.6 | -62.7 | -21.8 | 0 | 0 | 112.1 | D302 C307 E308 | D302-Q304 VanDerWaalsContact C-N 3.3Å; D302-Q304 PolarHBondContact O-N 3.3Å; Q304-C307 PolarHBondContact O-N 2.82Å; Q304-E308 WeakPolarHBondContact O-CB 3.25Å; Q304-E308 PolarHBondContact O-N 3.34Å |
| 305 | N | 95.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 60.5 Ų | 60.5 | 56% | 0.556 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -67 | -41.5 | 175.7 | -62.9 | -16.6 | 0 | 0 | 0 | 110.6 | D302 F303 C307 E308 D309 | D302-N305 WeakPolarHBondContact O-CA 3.45Å; D302-N305 WeakPolarHBondContact O-CB 3.48Å; D302-N305 PolarHBondContact O-N 3.32Å; F303-N305 VanDerWaalsContact C-N 3.35Å; N305-C307 VanDerWaalsContact C-N 3.33Å; N305-C307 PolarHBondContact O-N 2.84Å; N305-E308 PolarHBondContact O-N 3.04Å; N305-D309 WeakPolarHBondContact O-CB 3.37Å; N305-D309 VanDerWaalsContact O-CG 3.23Å; N305-D309 PolarHBondContact O-N 2.88Å |
| 306 | I | 96.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 57.8 Ų | 57.8 | 8% | 0.082 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.2 | -46.5 | 174.3 | -64.3 | 166.8 | 0 | 0 | 0 | 110.7 | D302 F303 E308 D309 L310 L355 M358 | D302-I306 WeakPolarHBondContact O-CG1 3.29Å; D302-I306 PolarHBondContact O-N 2.75Å; F303-I306 PolarHBondContact O-N 3.38Å; I306-E308 PolarHBondContact O-N 2.96Å; I306-D309 PolarHBondContact O-N 3.28Å; I306-L310 HydrophobicContact CG2-CD1 3.88Å; I306-L310 WeakPolarHBondContact O-CB 3.42Å; I306-L310 VanDerWaalsContact O-CG 3.24Å; I306-L310 WeakPolarHBondContact O-CG 3.16Å; I306-L310 PolarHBondContact O-N 3.45Å; I306-L355 HydrophobicContact CG2-CD2 3.99Å; I306-M358 HydrophobicContact CD1-SD 4.19Å; I306-M358 HydrophobicContact CG2-CE 4.06Å; I306-M358 HydrophobicContact CG2-SD 4.08Å |
| 307 | C | 96.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.007 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 177.6 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | F303 Q304 N305 L310 N311 L312 A314 | F303-C307 PolarHBondContact O-N 3.07Å; F303-C307 PolarHBondContact O-SG 3.21Å; Q304-C307 PolarHBondContact O-N 2.82Å; N305-C307 VanDerWaalsContact C-N 3.33Å; N305-C307 PolarHBondContact O-N 2.84Å; C307-L310 CarbonylContact O-C 3.47Å; C307-L310 PolarHBondContact O-N 3.33Å; C307-N311 PolarHBondContact O-N 3.06Å; C307-L312 CarbonylContact C-O 3.58Å; C307-L312 HydrophobicContact CB-CB 4.24Å; C307-L312 WeakPolarHBondContact O-CA 3.42Å; C307-L312 WeakPolarHBondContact O-CB 3.2Å; C307-L312 PolarHBondContact O-N 3.27Å; C307-A314 HydrophobicContact CB-CB 4.37Å |
| 308 | E | 94.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 62.6 Ų | 62.6 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -44.7 | 178.8 | -177.2 | 61.2 | -150.6 | 0 | 0 | 112.1 | Q304 N305 I306 L310 N311 K334 | Q304-E308 WeakPolarHBondContact O-CB 3.25Å; Q304-E308 PolarHBondContact O-N 3.34Å; N305-E308 PolarHBondContact O-N 3.04Å; I306-E308 PolarHBondContact O-N 2.96Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 PolarHBondContact O-N 2.9Å; E308-N311 WeakPolarHBondContact O-CA 3.4Å; E308-N311 PolarHBondContact O-N 3.27Å; E308-K334 IonicContact OE1-NZ 3.32Å; E308-K334 PolarHBondContact OE1-NZ 2.88Å; E308-K334 IonicContact OE2-NZ 3.33Å; E308-K334 PolarHBondContact OE2-NZ 3.19Å |
| 309 | D | 96.5 | Very high | 89.9 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.6 | -33.4 | 177.1 | -70.4 | -20.1 | 0 | 0 | 0 | 111.9 | N305 I306 N311 | N305-D309 WeakPolarHBondContact O-CB 3.37Å; N305-D309 VanDerWaalsContact O-CG 3.23Å; N305-D309 PolarHBondContact O-N 2.88Å; I306-D309 PolarHBondContact O-N 3.28Å; D309-N311 PolarHBondContact O-N 3Å |
| 310 | L | 96.8 | Very high | 88.2 | Confident | 45 Ų | 45 | 60.6 Ų | 60.6 | 24% | 0.236 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 4 | 172.7 | -66.3 | 173.6 | 0 | 0 | 0 | 113.2 | I306 C307 E308 L312 E354 L355 | I306-L310 HydrophobicContact CG2-CD1 3.88Å; I306-L310 WeakPolarHBondContact O-CB 3.42Å; I306-L310 VanDerWaalsContact O-CG 3.24Å; I306-L310 WeakPolarHBondContact O-CG 3.16Å; I306-L310 PolarHBondContact O-N 3.45Å; C307-L310 CarbonylContact O-C 3.47Å; C307-L310 PolarHBondContact O-N 3.33Å; E308-L310 VanDerWaalsContact C-N 3.26Å; E308-L310 PolarHBondContact O-N 2.9Å; L310-L312 HydrophobicContact CB-CD1 3.94Å; L310-L312 HydrophobicContact CB-CG 3.92Å; L310-L312 HydrophobicContact CD1-CD1 4.22Å; L310-L312 PolarHBondContact O-N 3.35Å; L310-E354 HydrophobicContact CD1-CB 4.27Å; L310-E354 HydrophobicContact CD1-CG 4.16Å; L310-E354 HydrophobicContact CD2-CB 4.38Å; L310-E354 HydrophobicContact CD2-CG 4.2Å; L310-L355 HydrophobicContact CD1-CD2 4.17Å; L310-L355 HydrophobicContact CD1-CG 4.24Å |
| 311 | N | 95.5 | Very high | 86.2 | Confident | 76 Ų | 76 | 65.9 Ų | 65.9 | 41% | 0.406 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 34.6 | -174.3 | -60.4 | -91.5 | 0 | 0 | 0 | 113.2 | C307 E308 D309 K334 Q347 | C307-N311 PolarHBondContact O-N 3.06Å; E308-N311 WeakPolarHBondContact O-CA 3.4Å; E308-N311 PolarHBondContact O-N 3.27Å; D309-N311 PolarHBondContact O-N 3Å; N311-K334 WeakPolarHBondContact O-CB 3.39Å; N311-K334 PolarHBondContact O-N 3.24Å; N311-Q347 VanDerWaalsContact CB-CD 3.44Å; N311-Q347 HydrophobicContact CB-CG 4.01Å; N311-Q347 PolarHBondContact O-OE1 3.21Å |
| 312 | L | 96.9 | Very high | 84.6 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 151.3 | 175.9 | -61.7 | 175.7 | 0 | 0 | 0 | 110.7 | C307 L310 I331 S332 L355 | C307-L312 CarbonylContact C-O 3.58Å; C307-L312 HydrophobicContact CB-CB 4.24Å; C307-L312 WeakPolarHBondContact O-CA 3.42Å; C307-L312 WeakPolarHBondContact O-CB 3.2Å; C307-L312 PolarHBondContact O-N 3.27Å; L310-L312 HydrophobicContact CB-CD1 3.94Å; L310-L312 HydrophobicContact CB-CG 3.92Å; L310-L312 HydrophobicContact CD1-CD1 4.22Å; L310-L312 PolarHBondContact O-N 3.35Å; L312-I331 HydrophobicContact CB-CG2 4.17Å; L312-I331 HydrophobicContact CD1-CG2 3.72Å; L312-I331 HydrophobicContact CD2-CG2 4.05Å; L312-I331 HydrophobicContact CG-CG2 4.21Å; L312-S332 CarbonylContact C-O 3.46Å; L312-S332 WeakPolarHBondContact CA-O 3.31Å; L312-L355 HydrophobicContact CD1-CD1 3.73Å; L312-L355 HydrophobicContact CD1-CG 4.32Å |
| 313 | Q | 93.7 | Very high | 83.3 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 28% | 0.276 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 116.9 | 168.2 | -177.4 | 169.5 | 47.3 | 0 | 0 | 109.3 | R315 S332 | Q313-R315 VanDerWaalsContact CD-CZ 3.49Å; Q313-R315 HydrophobicContact CG-CG 4.22Å; Q313-S332 PolarHBondContact N-O 3.5Å; Q313-S332 PolarHBondContact O-N 2.88Å |
| 314 | A | 92.1 | Very high | 82.1 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 14% | 0.14 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 129.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F303 C307 F329 I331 | F303-A314 HydrophobicContact CE1-CB 4.21Å; C307-A314 HydrophobicContact CB-CB 4.37Å; A314-F329 HydrophobicContact CB-CD1 4.4Å; A314-I331 HydrophobicContact CB-CD1 3.45Å; A314-I331 VanDerWaalsContact CB-CD1 3.45Å |
| 315 | R | 87.5 | Confident | 81.1 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 159.6 | 178.5 | -61 | 172.6 | -178.7 | -167.4 | -4.5 | 109.8 | R287 Q313 E320 F329 D330 | R287-R315 VanDerWaalsContact NH1-NH1 3.13Å; Q313-R315 VanDerWaalsContact CD-CZ 3.49Å; Q313-R315 HydrophobicContact CG-CG 4.22Å; R315-E320 IonicContact CZ-OE1 2.99Å; R315-E320 VanDerWaalsContact NH1-CD 3.34Å; R315-E320 IonicContact NH1-OE1 2.79Å; R315-E320 PolarHBondContact NH1-OE1 2.99Å; R315-E320 IonicContact NH2-OE1 3.31Å; R315-E320 PolarHBondContact NH2-OE1 3.32Å; R315-F329 WeakPolarHBondContact O-CA 3.34Å; R315-D330 HydrophobicContact CB-CB 4.43Å; R315-D330 PolarHBondContact N-O 3.46Å; R315-D330 PolarHBondContact O-N 3.41Å |
| 316 | G | 80.3 | Confident | 80.3 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 2% | 0.021 | 36% | 0.363 | C | S | . | . | B | Isolated β-bridge | trans | -65.2 | 162.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | H318 G319 S322 | G316-H318 PolarHBondContact O-N 2.89Å; G316-H318 VanDerWaalsContact O-N 3.14Å; G316-G319 PolarHBondContact O-N 3.47Å; G316-G319 VanDerWaalsContact O-N 3.16Å; G316-S322 WeakPolarHBondContact CA-O 3.28Å; G316-S322 WeakPolarHBondContact CA-OG 3.07Å; G316-S322 PolarHBondContact N-O 3.02Å; G316-S322 VanDerWaalsContact N-O 3.13Å; G316-S322 PolarHBondContact O-OG 2.65Å; G316-S322 VanDerWaalsContact O-OG 3.1Å |
| 317 | I | 74.1 | Confident | 79.8 | Confident | 51 Ų | 51 | 69 Ų | 69 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -15.9 | -175 | 59 | 173.1 | 0 | 0 | 0 | 114.2 | I328 | I317-I328 HydrophobicContact CG2-CB 4.2Å; I317-I328 HydrophobicContact CG2-CG2 3.55Å |
| 318 | H | 70.3 | Confident | 79.6 | Confident | 140 Ų | 140 | 70.7 Ų | 70.7 | 65% | 0.648 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | 9.7 | 178.7 | -59.1 | -58.3 | 0 | 0 | 0 | 113.4 | G316 S322 E325 | G316-H318 PolarHBondContact O-N 2.89Å; G316-H318 VanDerWaalsContact O-N 3.14Å; H318-S322 VanDerWaalsContact C-OG 3.31Å; H318-S322 WeakPolarHBondContact CA-OG 3.48Å; H318-S322 PolarHBondContact N-OG 3.49Å; H318-E325 IonicContact CD2-OE1 3.61Å; H318-E325 IonicContact NE2-OE1 2.73Å |
| 319 | G | 59.3 | Low | 79.5 | Confident | 22 Ų | 22 | 67 Ų | 67 | 23% | 0.227 | 36% | 0.356 | C | S | . | . | B | Isolated β-bridge | trans | 108 | -163.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G316 H321 S322 | G316-G319 PolarHBondContact O-N 3.47Å; G316-G319 VanDerWaalsContact O-N 3.16Å; G319-H321 PolarHBondContact O-N 2.98Å; G319-S322 PolarHBondContact N-OG 3.1Å; G319-S322 PolarHBondContact O-N 3.49Å; G319-S322 PolarHBondContact O-OG 3.39Å |
| 320 | E | 56.3 | Low | 79.5 | Confident | 123 Ų | 123 | 61.5 Ų | 61.5 | 58% | 0.575 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -28.9 | -163.9 | -75.9 | -173.2 | -178.3 | 0 | 0 | 116 | R315 | R315-E320 IonicContact CZ-OE1 2.99Å; R315-E320 VanDerWaalsContact NH1-CD 3.34Å; R315-E320 IonicContact NH1-OE1 2.79Å; R315-E320 PolarHBondContact NH1-OE1 2.99Å; R315-E320 IonicContact NH2-OE1 3.31Å; R315-E320 PolarHBondContact NH2-OE1 3.32Å |
| 321 | H | 52.6 | Low | 79.5 | Confident | 183 Ų | 183 | 59.3 Ų | 59.3 | 85% | 0.847 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.9 | 10.5 | -175 | -56.3 | -51.5 | 0 | 0 | 0 | 113.4 | G319 | G319-H321 PolarHBondContact O-N 2.98Š|
| 322 | S | 60.1 | Low | 79.6 | Confident | 29 Ų | 29 | 55.7 Ų | 55.7 | 20% | 0.203 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -90 | 139.7 | 179.3 | 66.1 | 0 | 0 | 0 | 0 | 111.8 | G316 H318 G319 | G316-S322 WeakPolarHBondContact CA-O 3.28Å; G316-S322 WeakPolarHBondContact CA-OG 3.07Å; G316-S322 PolarHBondContact N-O 3.02Å; G316-S322 VanDerWaalsContact N-O 3.13Å; G316-S322 PolarHBondContact O-OG 2.65Å; G316-S322 VanDerWaalsContact O-OG 3.1Å; H318-S322 VanDerWaalsContact C-OG 3.31Å; H318-S322 WeakPolarHBondContact CA-OG 3.48Å; H318-S322 PolarHBondContact N-OG 3.49Å; G319-S322 PolarHBondContact N-OG 3.1Å; G319-S322 PolarHBondContact O-N 3.49Å; G319-S322 PolarHBondContact O-OG 3.39Å |
| 323 | K | 66.7 | Low | 79.6 | Confident | 187 Ų | 187 | 55.6 Ų | 55.6 | 81% | 0.813 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 153.6 | 169.7 | -67.7 | -175.8 | 178.5 | -179.2 | 0 | 109.2 | ||
| 324 | S | 69 | Low | 79.6 | Confident | 49 Ų | 49 | 57.2 Ų | 57.2 | 34% | 0.343 | 30% | 0.302 | S | S | . | . | P | Polyproline II helix | trans | -64.5 | 136.9 | 168.2 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | I328 F329 | S324-I328 VanDerWaalsContact CB-O 3.24Å; S324-I328 WeakPolarHBondContact CB-O 2.96Å; S324-F329 VanDerWaalsContact CB-CE1 3.46Å; S324-F329 WeakPolarHBondContact OG-CZ 3.13Å |
| 325 | E | 71.2 | Confident | 79.8 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 51% | 0.514 | 31% | 0.314 | S | S | . | . | B | Isolated β-bridge | trans | -101.7 | 128.5 | 170.9 | -65.7 | -171.4 | 173.7 | 0 | 0 | 107.8 | H318 G327 I328 | H318-E325 IonicContact CD2-OE1 3.61Å; H318-E325 IonicContact NE2-OE1 2.73Å; E325-G327 PolarHBondContact O-N 3.35Å; E325-I328 WeakPolarHBondContact O-CB 3.49Å; E325-I328 WeakPolarHBondContact O-CG1 3.08Å; E325-I328 PolarHBondContact O-N 3.47Å |
| 326 | A | 78.1 | Confident | 80.2 | Confident | 98 Ų | 98 | 60.7 Ų | 60.7 | 81% | 0.81 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 32.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I328 | A326-I328 VanDerWaalsContact C-N 3.3Å; A326-I328 PolarHBondContact O-N 2.89Å |
| 327 | G | 86.5 | Confident | 81 | Confident | 13 Ų | 13 | 60.8 Ų | 60.8 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 18.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L294 E325 F329 | L294-G327 PolarHBondContact N-O 3.4Å; E325-G327 PolarHBondContact O-N 3.35Å; G327-F329 WeakPolarHBondContact O-CD2 3.41Å |
| 328 | I | 92.8 | Very high | 82.1 | Confident | 36 Ų | 36 | 59.8 Ų | 59.8 | 19% | 0.185 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 131.9 | 176.4 | -51.2 | 177.3 | 0 | 0 | 0 | 110 | I127 I292 K293 I317 S324 E325 A326 | I127-I328 HydrophobicContact CD1-CD1 4.07Å; I127-I328 HydrophobicContact CD1-CG2 3.75Å; I292-I328 WeakPolarHBondContact O-CA 3.48Å; K293-I328 HydrophobicContact CG-CG1 4.18Å; I317-I328 HydrophobicContact CG2-CB 4.2Å; I317-I328 HydrophobicContact CG2-CG2 3.55Å; S324-I328 VanDerWaalsContact CB-O 3.24Å; S324-I328 WeakPolarHBondContact CB-O 2.96Å; E325-I328 WeakPolarHBondContact O-CB 3.49Å; E325-I328 WeakPolarHBondContact O-CG1 3.08Å; E325-I328 PolarHBondContact O-N 3.47Å; A326-I328 VanDerWaalsContact C-N 3.3Å; A326-I328 PolarHBondContact O-N 2.89Å |
| 329 | F | 94.3 | Very high | 83.5 | Confident | 13 Ų | 13 | 53.9 Ų | 53.9 | 6% | 0.057 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 148 | -177.9 | -66.5 | -97.2 | 0 | 0 | 0 | 112 | H291 I292 L294 F303 A314 R315 S324 G327 I331 | H291-F329 WeakPolarHBondContact CA-O 3.21Å; I292-F329 PolarHBondContact N-O 3.39Å; I292-F329 PolarHBondContact O-N 3.29Å; L294-F329 HydrophobicContact CB-CD2 4.46Å; F303-F329 HydrophobicContact CD1-CE1 4.49Å; F303-F329 HydrophobicContact CD1-CZ 4.49Å; F303-F329 HydrophobicContact CE1-CD1 4.04Å; F303-F329 AromaticContact CE1-CE1 3.66Å; F303-F329 HydrophobicContact CE1-CE1 3.66Å; F303-F329 HydrophobicContact CE1-CE2 4.37Å; F303-F329 AromaticContact CE1-CZ 3.85Å; F303-F329 HydrophobicContact CE1-CZ 3.85Å; F303-F329 HydrophobicContact CZ-CD1 4.45Å; F303-F329 HydrophobicContact CZ-CE1 4.39Å; F303-F329 HydrophobicContact CZ-CZ 4.42Å; A314-F329 HydrophobicContact CB-CD1 4.4Å; R315-F329 WeakPolarHBondContact O-CA 3.34Å; S324-F329 VanDerWaalsContact CB-CE1 3.46Å; S324-F329 WeakPolarHBondContact OG-CZ 3.13Å; G327-F329 WeakPolarHBondContact O-CD2 3.41Å; F329-I331 HydrophobicContact CB-CD1 3.71Å; F329-I331 HydrophobicContact CB-CG1 4.01Å; F329-I331 HydrophobicContact CG-CD1 4.42Å |
| 330 | D | 95.2 | Very high | 85.3 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 109.5 | 156.6 | 175.5 | -8.2 | 0 | 0 | 0 | 107.3 | R287 S289 V290 R315 | R287-D330 IonicContact CZ-OD2 3.81Å; R287-D330 IonicContact NH2-OD1 3.99Å; R287-D330 PolarHBondContact NH2-OD1 2.83Å; R287-D330 IonicContact NH2-OD2 2.72Å; R287-D330 PolarHBondContact NH2-OD2 3.1Å; S289-D330 VanDerWaalsContact CB-OD1 3.29Å; S289-D330 WeakPolarHBondContact CB-OD1 3.44Å; V290-D330 WeakPolarHBondContact O-CA 3.46Å; R315-D330 HydrophobicContact CB-CB 4.43Å; R315-D330 PolarHBondContact N-O 3.46Å; R315-D330 PolarHBondContact O-N 3.41Å |
| 331 | I | 97.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 125.8 | 177.4 | -58.1 | -59.1 | 0 | 0 | 0 | 108.3 | S289 V290 I292 F303 L312 A314 F329 V352 L355 | S289-I331 CarbonylContact C-O 3.57Å; S289-I331 WeakPolarHBondContact CA-O 3.46Å; S289-I331 VanDerWaalsContact CB-O 3.32Å; S289-I331 WeakPolarHBondContact CB-O 3.43Å; V290-I331 HydrophobicContact CG2-CB 4.1Å; V290-I331 PolarHBondContact N-O 3Å; V290-I331 PolarHBondContact O-N 3.28Å; I292-I331 HydrophobicContact CG2-CB 4.33Å; I292-I331 HydrophobicContact CG2-CG1 3.54Å; F303-I331 HydrophobicContact CZ-CD1 4.42Å; L312-I331 HydrophobicContact CB-CG2 4.17Å; L312-I331 HydrophobicContact CD1-CG2 3.72Å; L312-I331 HydrophobicContact CD2-CG2 4.05Å; L312-I331 HydrophobicContact CG-CG2 4.21Å; A314-I331 HydrophobicContact CB-CD1 3.45Å; A314-I331 VanDerWaalsContact CB-CD1 3.45Å; F329-I331 HydrophobicContact CB-CD1 3.71Å; F329-I331 HydrophobicContact CB-CG1 4.01Å; F329-I331 HydrophobicContact CG-CD1 4.42Å; I331-V352 HydrophobicContact CB-CG2 4.34Å; I331-V352 HydrophobicContact CG2-CG2 3.78Å; I331-L355 HydrophobicContact CD1-CD1 4.46Å; I331-L355 HydrophobicContact CG1-CD1 4.39Å; I331-L355 HydrophobicContact CG2-CD1 4.21Å |
| 332 | S | 97.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 160.7 | -177.1 | 60.7 | 0 | 0 | 0 | 0 | 114 | R287 A288 L312 Q313 | R287-S332 PolarHBondContact NE-OG 3.26Å; A288-S332 WeakPolarHBondContact O-CA 3.5Å; A288-S332 WeakPolarHBondContact O-CB 3.2Å; L312-S332 CarbonylContact C-O 3.46Å; L312-S332 WeakPolarHBondContact CA-O 3.31Å; Q313-S332 PolarHBondContact N-O 3.5Å; Q313-S332 PolarHBondContact O-N 2.88Å |
| 333 | N | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 140.4 | 171.7 | 63.2 | -62.1 | 0 | 0 | 0 | 111.1 | I286 R287 A288 K335 A344 M348 | I286-N333 PolarHBondContact O-ND2 3.31Å; R287-N333 WeakPolarHBondContact CA-OD1 3.16Å; A288-N333 PolarHBondContact N-OD1 3.33Å; A288-N333 PolarHBondContact O-N 2.81Å; A288-N333 VanDerWaalsContact O-N 3.17Å; A288-N333 PolarHBondContact O-OD1 2.86Å; A288-N333 VanDerWaalsContact O-OD1 3.1Å; N333-K335 PolarHBondContact ND2-O 2.9Å; N333-A344 VanDerWaalsContact CB-O 3.28Å; N333-A344 WeakPolarHBondContact CB-O 3.36Å; N333-M348 HydrophobicContact CB-CB 4.05Å |
| 334 | K | 93.6 | Very high | 92.9 | Very high | 92 Ų | 92 | 32.7 Ų | 32.7 | 40% | 0.4 | 19% | 0.185 | S | C | . | . | trans | -84.7 | -44.2 | 174.2 | -171.5 | 173.3 | -178.4 | 171.6 | 0 | 111.8 | E308 N311 | E308-K334 IonicContact OE1-NZ 3.32Å; E308-K334 PolarHBondContact OE1-NZ 2.88Å; E308-K334 IonicContact OE2-NZ 3.33Å; E308-K334 PolarHBondContact OE2-NZ 3.19Å; N311-K334 WeakPolarHBondContact O-CB 3.39Å; N311-K334 PolarHBondContact O-N 3.24Å | ||
| 335 | K | 95.3 | Very high | 94.3 | Very high | 90 Ų | 90 | 30.4 Ų | 30.4 | 39% | 0.391 | 17% | 0.169 | S | C | . | . | trans | -80.7 | 137.4 | -172.4 | -165 | 172.8 | -178.2 | -172.8 | 0 | 111.2 | N333 M337 I339 Q347 | N333-K335 PolarHBondContact ND2-O 2.9Å; K335-M337 WeakPolarHBondContact CE-O 3.31Å; K335-I339 HydrophobicContact CB-CD1 3.86Å; K335-I339 HydrophobicContact CD-CD1 4.1Å; K335-I339 HydrophobicContact CD-CG1 4.47Å; K335-I339 HydrophobicContact CD-CG2 3.83Å; K335-I339 HydrophobicContact CG-CD1 3.8Å; K335-I339 HydrophobicContact CG-CG1 4.25Å; K335-Q347 VanDerWaalsContact N-OE1 3.08Å | ||
| 336 | R | 95.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 27.4 Ų | 27.4 | 8% | 0.083 | 15% | 0.154 | C | C | . | . | trans | -129.1 | -26.8 | 179.1 | -57.6 | -179 | -174 | 154 | 4.6 | 113.7 | T280 T284 | T280-R336 PolarHBondContact O-NH1 3.02Å; T284-R336 WeakPolarHBondContact CG2-O 3.13Å; T284-R336 PolarHBondContact N-O 3.03Å; T284-R336 PolarHBondContact OG1-O 3.01Å | ||
| 337 | M | 98.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -108.7 | 152.8 | -178.2 | -58.2 | -171.4 | 75.4 | 0 | 0 | 111.5 | I91 H95 F97 L272 L282 K335 I339 | I91-M337 HydrophobicContact CG2-CE 4.21Å; I91-M337 HydrophobicContact CG2-SD 3.87Å; H95-M337 HydrophobicContact CB-CG 4.47Å; H95-M337 HydrophobicContact CB-SD 4.04Å; H95-M337 VanDerWaalsContact CD2-SD 3.59Å; F97-M337 HydrophobicContact CB-CB 4.22Å; F97-M337 HydrophobicContact CB-CE 4.5Å; F97-M337 HydrophobicContact CB-SD 4.14Å; F97-M337 HydrophobicContact CD1-CE 3.58Å; F97-M337 HydrophobicContact CD1-SD 4.3Å; F97-M337 HydrophobicContact CD2-CB 3.65Å; F97-M337 HydrophobicContact CD2-CE 4.41Å; F97-M337 HydrophobicContact CE1-CE 3.78Å; F97-M337 HydrophobicContact CE2-CB 4.17Å; F97-M337 HydrophobicContact CG-CB 3.97Å; F97-M337 HydrophobicContact CG-CE 3.91Å; F97-M337 HydrophobicContact CG-SD 4.15Å; F97-M337 HydrophobicContact CZ-CE 4.28Å; L272-M337 HydrophobicContact CB-CE 4.3Å; L272-M337 HydrophobicContact CD2-CE 3.88Å; L282-M337 HydrophobicContact CB-CE 3.84Å; L282-M337 HydrophobicContact CB-CG 4.2Å; L282-M337 HydrophobicContact CB-SD 3.71Å; L282-M337 HydrophobicContact CD1-CE 4.41Å; L282-M337 HydrophobicContact CD1-SD 4.46Å; K335-M337 WeakPolarHBondContact CE-O 3.31Å; M337-I339 PolarHBondContact O-N 3.2Å |
| 338 | G | 98.1 | Very high | 97.1 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 31% | 0.309 | 12% | 0.117 | S | C | . | . | S | Bend | trans | 68.8 | 21.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 339 | I | 98.2 | Very high | 97.4 | Very high | 17 Ų | 17 | 22.4 Ų | 22.4 | 9% | 0.087 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -147.2 | 159.1 | 176.2 | 58.5 | 173.8 | 0 | 0 | 0 | 109 | Q103 T284 K335 M337 E343 A344 | Q103-I339 PolarHBondContact NE2-O 2.93Å; T284-I339 WeakPolarHBondContact CG2-O 3.18Å; K335-I339 HydrophobicContact CB-CD1 3.86Å; K335-I339 HydrophobicContact CD-CD1 4.1Å; K335-I339 HydrophobicContact CD-CG1 4.47Å; K335-I339 HydrophobicContact CD-CG2 3.83Å; K335-I339 HydrophobicContact CG-CD1 3.8Å; K335-I339 HydrophobicContact CG-CG1 4.25Å; M337-I339 PolarHBondContact O-N 3.2Å; I339-E343 WeakPolarHBondContact CA-OE2 3.31Å; I339-E343 HydrophobicContact CB-CB 3.88Å; I339-E343 WeakPolarHBondContact CB-OE2 3.35Å; I339-E343 HydrophobicContact CG2-CB 4.48Å; I339-A344 HydrophobicContact CD1-CB 3.73Å; I339-A344 HydrophobicContact CG1-CB 4.39Å |
| 340 | T | 98.5 | Very high | 97.6 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 9% | 0.086 | 13% | 0.125 | C | C | . | . | trans | -78.1 | 167.1 | 174.8 | 70.8 | 0 | 0 | 0 | 0 | 112.3 | P104 D107 T284 F342 E343 A344 | P104-T340 HydrophobicContact CB-CG2 3.96Å; P104-T340 HydrophobicContact CG-CG2 3.8Å; D107-T340 HydrophobicContact CB-CG2 3.97Å; T284-T340 VanDerWaalsContact CG2-C 3.41Å; T340-F342 VanDerWaalsContact C-N 3.27Å; T340-F342 PolarHBondContact O-N 2.84Å; T340-E343 PolarHBondContact N-OE2 3.01Å; T340-E343 PolarHBondContact O-N 3.41Å; T340-E343 WeakPolarHBondContact OG1-CG 3.37Å; T340-E343 PolarHBondContact OG1-N 3.38Å; T340-A344 PolarHBondContact O-N 3.1Å | ||
| 341 | E | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -57.5 | -42.5 | 174.6 | -69.9 | 68.1 | -158.6 | 0 | 0 | 111 | E106 D107 F108 T284 I286 A344 V345 | E106-E341 WeakPolarHBondContact CA-OE2 3.34Å; E106-E341 HydrophobicContact CG-CG 4.48Å; D107-E341 PolarHBondContact N-OE2 3.39Å; D107-E341 PolarHBondContact O-N 2.93Å; F108-E341 HydrophobicContact CD1-CB 3.73Å; F108-E341 HydrophobicContact CD1-CG 4.18Å; F108-E341 HydrophobicContact CE1-CB 3.83Å; F108-E341 HydrophobicContact CE1-CG 3.8Å; F108-E341 HydrophobicContact CE2-CG 4.23Å; F108-E341 HydrophobicContact CG-CB 4.13Å; F108-E341 HydrophobicContact CZ-CB 4.31Å; F108-E341 HydrophobicContact CZ-CG 3.83Å; T284-E341 WeakPolarHBondContact CA-OE1 3Å; T284-E341 HydrophobicContact CG2-CG 4.21Å; I286-E341 HydrophobicContact CD1-CB 4.41Å; I286-E341 HydrophobicContact CD1-CG 4.29Å; I286-E341 HydrophobicContact CG1-CB 3.94Å; I286-E341 HydrophobicContact CG1-CG 3.75Å; E341-A344 PolarHBondContact O-N 3.35Å; E341-V345 WeakPolarHBondContact O-CG2 3.4Å; E341-V345 PolarHBondContact O-N 3.46Å; E341-V345 VanDerWaalsContact O-N 3.13Å |
| 342 | F | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 174.9 | -178.9 | -93.5 | 0 | 0 | 0 | 112 | D107 R112 E115 L116 L250 T340 A344 V345 K346 | D107-F342 WeakPolarHBondContact O-CB 3.38Å; D107-F342 PolarHBondContact O-N 3.26Å; R112-F342 HydrophobicContact CB-CD2 4.45Å; R112-F342 HydrophobicContact CB-CE1 4.23Å; R112-F342 HydrophobicContact CB-CE2 3.81Å; R112-F342 HydrophobicContact CB-CZ 3.68Å; R112-F342 VanDerWaalsContact NH2-CE1 3.29Å; R112-F342 WeakPolarHBondContact O-CE2 3.46Å; E115-F342 HydrophobicContact CB-CZ 4.21Å; L116-F342 HydrophobicContact CD1-CD2 4.27Å; L116-F342 HydrophobicContact CD1-CE2 3.76Å; L116-F342 HydrophobicContact CD1-CZ 4.48Å; L116-F342 HydrophobicContact CD2-CE2 4.49Å; L116-F342 HydrophobicContact CD2-CZ 4.43Å; L116-F342 HydrophobicContact CG-CE2 3.96Å; L116-F342 HydrophobicContact CG-CZ 4.27Å; L250-F342 HydrophobicContact CD2-CD2 4.05Å; T340-F342 VanDerWaalsContact C-N 3.27Å; T340-F342 PolarHBondContact O-N 2.84Å; F342-A344 VanDerWaalsContact C-N 3.32Å; F342-A344 PolarHBondContact O-N 2.78Å; F342-V345 PolarHBondContact O-N 3.16Å; F342-K346 HydrophobicContact CD1-CB 4.43Å; F342-K346 HydrophobicContact CD1-CD 4.49Å; F342-K346 HydrophobicContact CE1-CB 4.16Å; F342-K346 HydrophobicContact CE1-CD 3.6Å; F342-K346 HydrophobicContact CE1-CG 4.49Å; F342-K346 HydrophobicContact CZ-CD 4.13Å; F342-K346 VanDerWaalsContact O-CB 3.27Å; F342-K346 WeakPolarHBondContact O-CB 3.38Å; F342-K346 PolarHBondContact O-N 2.9Å |
| 343 | E | 98.4 | Very high | 97.8 | Very high | 83 Ų | 83 | 30.2 Ų | 30.2 | 39% | 0.388 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -64 | -37.1 | 179 | -72.7 | 173.7 | 154 | 0 | 0 | 112.2 | I339 T340 K346 Q347 | I339-E343 WeakPolarHBondContact CA-OE2 3.31Å; I339-E343 HydrophobicContact CB-CB 3.88Å; I339-E343 WeakPolarHBondContact CB-OE2 3.35Å; I339-E343 HydrophobicContact CG2-CB 4.48Å; T340-E343 PolarHBondContact N-OE2 3.01Å; T340-E343 PolarHBondContact O-N 3.41Å; T340-E343 WeakPolarHBondContact OG1-CG 3.37Å; T340-E343 PolarHBondContact OG1-N 3.38Å; E343-K346 PolarHBondContact O-N 3.08Å; E343-Q347 WeakPolarHBondContact O-CB 3.4Å; E343-Q347 PolarHBondContact O-N 2.84Å |
| 344 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I286 N333 I339 T340 E341 F342 M348 | I286-A344 HydrophobicContact CB-CB 4.04Å; I286-A344 HydrophobicContact CG2-CB 3.87Å; N333-A344 VanDerWaalsContact CB-O 3.28Å; N333-A344 WeakPolarHBondContact CB-O 3.36Å; I339-A344 HydrophobicContact CD1-CB 3.73Å; I339-A344 HydrophobicContact CG1-CB 4.39Å; T340-A344 PolarHBondContact O-N 3.1Å; E341-A344 PolarHBondContact O-N 3.35Å; F342-A344 VanDerWaalsContact C-N 3.32Å; F342-A344 PolarHBondContact O-N 2.78Å; A344-M348 PolarHBondContact O-N 3.08Å |
| 345 | V | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -68 | -42.5 | 174.9 | 178 | 0 | 0 | 0 | 0 | 111 | L116 I131 V246 L250 I286 A288 E341 F342 Q347 M348 Y349 | L116-V345 HydrophobicContact CD1-CG1 4.01Å; I131-V345 HydrophobicContact CD1-CG1 3.82Å; I131-V345 HydrophobicContact CD1-CG2 4.01Å; I131-V345 HydrophobicContact CG2-CG2 3.97Å; V246-V345 HydrophobicContact CG1-CG1 3.43Å; V246-V345 VanDerWaalsContact CG1-CG1 3.43Å; L250-V345 HydrophobicContact CD1-CG2 3.8Å; L250-V345 HydrophobicContact CD2-CB 4.19Å; L250-V345 HydrophobicContact CD2-CG1 4.12Å; L250-V345 HydrophobicContact CD2-CG2 4.17Å; I286-V345 HydrophobicContact CG2-CG2 3.99Å; A288-V345 HydrophobicContact CB-CB 4.33Å; A288-V345 HydrophobicContact CB-CG1 4.37Å; A288-V345 HydrophobicContact CB-CG2 4Å; E341-V345 WeakPolarHBondContact O-CG2 3.4Å; E341-V345 PolarHBondContact O-N 3.46Å; E341-V345 VanDerWaalsContact O-N 3.13Å; F342-V345 PolarHBondContact O-N 3.16Å; V345-Q347 VanDerWaalsContact C-N 3.32Å; V345-Q347 PolarHBondContact O-N 2.98Å; V345-M348 PolarHBondContact O-N 3.08Å; V345-Y349 WeakPolarHBondContact O-CB 3.02Å; V345-Y349 PolarHBondContact O-N 3.3Å |
| 346 | K | 98.3 | Very high | 98.2 | Very high | 48 Ų | 48 | 24.6 Ų | 24.6 | 21% | 0.209 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -35.6 | -179.8 | -177.5 | 158.6 | 175.2 | 37.1 | 0 | 112.4 | L116 F342 E343 Y349 D350 | L116-K346 HydrophobicContact CD2-CB 4.41Å; F342-K346 HydrophobicContact CD1-CB 4.43Å; F342-K346 HydrophobicContact CD1-CD 4.49Å; F342-K346 HydrophobicContact CE1-CB 4.16Å; F342-K346 HydrophobicContact CE1-CD 3.6Å; F342-K346 HydrophobicContact CE1-CG 4.49Å; F342-K346 HydrophobicContact CZ-CD 4.13Å; F342-K346 VanDerWaalsContact O-CB 3.27Å; F342-K346 WeakPolarHBondContact O-CB 3.38Å; F342-K346 PolarHBondContact O-N 2.9Å; E343-K346 PolarHBondContact O-N 3.08Å; K346-Y349 WeakPolarHBondContact O-CB 3.49Å; K346-Y349 PolarHBondContact O-N 3.4Å; K346-D350 WeakPolarHBondContact CG-OD2 3.29Å; K346-D350 IonicContact NZ-OD1 3.71Å; K346-D350 PolarHBondContact NZ-OD1 3.2Å; K346-D350 IonicContact NZ-OD2 3.39Å; K346-D350 PolarHBondContact NZ-OD2 3.46Å; K346-D350 WeakPolarHBondContact O-CB 3.24Å; K346-D350 PolarHBondContact O-N 2.96Å |
| 347 | Q | 97.9 | Very high | 98.3 | Very high | 36 Ų | 36 | 29.7 Ų | 29.7 | 17% | 0.168 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -48.1 | 171.9 | 176.9 | 176.5 | 82.9 | 0 | 0 | 111.7 | N311 K335 E343 V345 Y349 G351 | N311-Q347 VanDerWaalsContact CB-CD 3.44Å; N311-Q347 HydrophobicContact CB-CG 4.01Å; N311-Q347 PolarHBondContact O-OE1 3.21Å; K335-Q347 VanDerWaalsContact N-OE1 3.08Å; E343-Q347 WeakPolarHBondContact O-CB 3.4Å; E343-Q347 PolarHBondContact O-N 2.84Å; V345-Q347 VanDerWaalsContact C-N 3.32Å; V345-Q347 PolarHBondContact O-N 2.98Å; Q347-Y349 VanDerWaalsContact C-N 3.34Å; Q347-G351 PolarHBondContact O-N 3.46Å |
| 348 | M | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.5 | -47.3 | 174.3 | 179.6 | -82.4 | -69.7 | 0 | 0 | 110.7 | V246 A288 V290 N333 A344 V345 G351 V352 | V246-M348 HydrophobicContact CG1-CE 4.18Å; V246-M348 HydrophobicContact CG2-CE 4.26Å; A288-M348 HydrophobicContact CB-CB 4.03Å; A288-M348 HydrophobicContact CB-CE 3.72Å; A288-M348 HydrophobicContact CB-CG 4.31Å; V290-M348 HydrophobicContact CG1-CE 4.26Å; V290-M348 HydrophobicContact CG1-SD 3.91Å; N333-M348 HydrophobicContact CB-CB 4.05Å; A344-M348 PolarHBondContact O-N 3.08Å; V345-M348 PolarHBondContact O-N 3.08Å; M348-G351 PolarHBondContact O-N 3.45Å; M348-V352 HydrophobicContact CG-CG2 4.22Å; M348-V352 WeakPolarHBondContact O-CB 3.47Å; M348-V352 VanDerWaalsContact O-CG2 3.26Å; M348-V352 WeakPolarHBondContact O-CG2 3.11Å; M348-V352 PolarHBondContact O-N 3.32Å; M348-V352 HydrophobicContact SD-CB 4.41Å; M348-V352 HydrophobicContact SD-CG2 3.72Å |
| 349 | Y | 98.7 | Very high | 98.2 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 2% | 0.024 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.6 | -52.9 | -178.2 | 174.8 | -89.1 | 0 | 0 | 0 | 113 | E115 L116 T117 L119 V246 V345 K346 Q347 G351 V352 K353 | E115-Y349 PolarHBondContact O-OH 3.16Å; L116-Y349 HydrophobicContact CB-CD2 4.37Å; L116-Y349 HydrophobicContact CB-CE2 4.31Å; L116-Y349 HydrophobicContact CD2-CD1 3.9Å; L116-Y349 HydrophobicContact CD2-CD2 3.88Å; L116-Y349 HydrophobicContact CD2-CE1 4.38Å; L116-Y349 HydrophobicContact CD2-CE2 4.37Å; L116-Y349 HydrophobicContact CD2-CG 3.63Å; T117-Y349 PolarHBondContact N-OH 3.13Å; T117-Y349 VanDerWaalsContact O-CE2 3.23Å; T117-Y349 WeakPolarHBondContact O-CE2 3.45Å; T117-Y349 PolarHBondContact OG1-OH 2.82Å; L119-Y349 HydrophobicContact CD1-CD2 3.71Å; L119-Y349 HydrophobicContact CD1-CE2 4.13Å; L119-Y349 HydrophobicContact CD1-CG 4.44Å; L119-Y349 HydrophobicContact CD2-CD1 4.45Å; L119-Y349 HydrophobicContact CD2-CD2 3.59Å; L119-Y349 HydrophobicContact CD2-CE1 4.27Å; L119-Y349 HydrophobicContact CD2-CE2 3.34Å; L119-Y349 HydrophobicContact CD2-CG 4.13Å; L119-Y349 HydrophobicContact CG-CD2 3.56Å; L119-Y349 HydrophobicContact CG-CE2 3.43Å; L119-Y349 VanDerWaalsContact CG-CE2 3.43Å; L119-Y349 HydrophobicContact CG-CG 4.47Å; V246-Y349 HydrophobicContact CB-CD2 4.16Å; V246-Y349 HydrophobicContact CG1-CD2 4.44Å; V246-Y349 HydrophobicContact CG2-CD2 3.99Å; V345-Y349 WeakPolarHBondContact O-CB 3.02Å; V345-Y349 PolarHBondContact O-N 3.3Å; K346-Y349 WeakPolarHBondContact O-CB 3.49Å; K346-Y349 PolarHBondContact O-N 3.4Å; Q347-Y349 VanDerWaalsContact C-N 3.34Å; Y349-G351 PolarHBondContact O-N 3.34Å; Y349-V352 PolarHBondContact O-N 2.87Å; Y349-K353 HydrophobicContact CE1-CD 4.44Å; Y349-K353 WeakPolarHBondContact O-CB 3.17Å; Y349-K353 PolarHBondContact O-N 2.64Å |
| 350 | D | 98.4 | Very high | 98.1 | Very high | 71 Ų | 71 | 34.1 Ų | 34.1 | 38% | 0.38 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.8 | -40.2 | -177.5 | -70 | -28.8 | 0 | 0 | 0 | 111 | K346 K353 E354 | K346-D350 WeakPolarHBondContact CG-OD2 3.29Å; K346-D350 IonicContact NZ-OD1 3.71Å; K346-D350 PolarHBondContact NZ-OD1 3.2Å; K346-D350 IonicContact NZ-OD2 3.39Å; K346-D350 PolarHBondContact NZ-OD2 3.46Å; K346-D350 WeakPolarHBondContact O-CB 3.24Å; K346-D350 PolarHBondContact O-N 2.96Å; D350-K353 WeakPolarHBondContact O-CB 3.45Å; D350-K353 PolarHBondContact O-N 3.41Å; D350-E354 PolarHBondContact O-N 2.69Å; D350-E354 VanDerWaalsContact O-N 3.07Å |
| 351 | G | 98.3 | Very high | 97.8 | Very high | 3 Ų | 3 | 37.6 Ų | 37.6 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q347 M348 Y349 K353 E354 L355 | Q347-G351 PolarHBondContact O-N 3.46Å; M348-G351 PolarHBondContact O-N 3.45Å; Y349-G351 PolarHBondContact O-N 3.34Å; G351-K353 VanDerWaalsContact C-N 3.35Å; G351-K353 PolarHBondContact O-N 2.8Å; G351-E354 PolarHBondContact O-N 2.9Å; G351-L355 WeakPolarHBondContact O-CG 3.42Å; G351-L355 PolarHBondContact O-N 2.76Å |
| 352 | V | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 176.5 | 170.8 | 0 | 0 | 0 | 0 | 111.2 | L119 I126 V290 I292 I331 M348 Y349 E354 L355 I356 | L119-V352 HydrophobicContact CD1-CB 4.08Å; L119-V352 HydrophobicContact CD1-CG1 3.8Å; I126-V352 HydrophobicContact CD1-CG1 4.14Å; V290-V352 HydrophobicContact CG2-CB 4.48Å; V290-V352 HydrophobicContact CG2-CG1 4.01Å; V290-V352 HydrophobicContact CG2-CG2 3.59Å; I292-V352 HydrophobicContact CD1-CG1 3.83Å; I331-V352 HydrophobicContact CB-CG2 4.34Å; I331-V352 HydrophobicContact CG2-CG2 3.78Å; M348-V352 HydrophobicContact CG-CG2 4.22Å; M348-V352 WeakPolarHBondContact O-CB 3.47Å; M348-V352 VanDerWaalsContact O-CG2 3.26Å; M348-V352 WeakPolarHBondContact O-CG2 3.11Å; M348-V352 PolarHBondContact O-N 3.32Å; M348-V352 HydrophobicContact SD-CB 4.41Å; M348-V352 HydrophobicContact SD-CG2 3.72Å; Y349-V352 PolarHBondContact O-N 2.87Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 2.9Å; V352-L355 PolarHBondContact O-N 3.31Å; V352-I356 HydrophobicContact CG1-CD1 4.04Å; V352-I356 HydrophobicContact CG1-CG1 4.47Å; V352-I356 WeakPolarHBondContact O-CG1 3.38Å; V352-I356 PolarHBondContact O-N 2.77Å |
| 353 | K | 98.4 | Very high | 96.8 | Very high | 118 Ų | 118 | 48.1 Ų | 48.1 | 51% | 0.513 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.7 | -43.6 | 174.6 | -172.5 | 176.3 | 178.8 | 176.9 | 0 | 111.5 | L119 Y349 D350 G351 I356 R357 | L119-K353 HydrophobicContact CD2-CB 3.66Å; L119-K353 HydrophobicContact CD2-CG 4.23Å; Y349-K353 HydrophobicContact CE1-CD 4.44Å; Y349-K353 WeakPolarHBondContact O-CB 3.17Å; Y349-K353 PolarHBondContact O-N 2.64Å; D350-K353 WeakPolarHBondContact O-CB 3.45Å; D350-K353 PolarHBondContact O-N 3.41Å; G351-K353 VanDerWaalsContact C-N 3.35Å; G351-K353 PolarHBondContact O-N 2.8Å; K353-I356 PolarHBondContact O-N 3.21Å; K353-R357 PolarHBondContact O-N 2.72Å |
| 354 | E | 98.3 | Very high | 96.7 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 25% | 0.248 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.6 | -39.9 | 176.9 | 179 | 57.9 | -166.3 | 0 | 0 | 112.2 | L310 D350 G351 V352 I356 R357 M358 | L310-E354 HydrophobicContact CD1-CB 4.27Å; L310-E354 HydrophobicContact CD1-CG 4.16Å; L310-E354 HydrophobicContact CD2-CB 4.38Å; L310-E354 HydrophobicContact CD2-CG 4.2Å; D350-E354 PolarHBondContact O-N 2.69Å; D350-E354 VanDerWaalsContact O-N 3.07Å; G351-E354 PolarHBondContact O-N 2.9Å; V352-E354 VanDerWaalsContact C-N 3.27Å; V352-E354 PolarHBondContact O-N 2.9Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 3.15Å; E354-R357 WeakPolarHBondContact O-CB 3.16Å; E354-R357 PolarHBondContact O-N 3.24Å; E354-R357 IonicContact OE1-CZ 2.67Å; E354-R357 IonicContact OE1-NE 3.13Å; E354-R357 PolarHBondContact OE1-NE 3Å; E354-R357 IonicContact OE1-NH2 3.99Å; E354-R357 PolarHBondContact OE1-NH2 3.33Å; E354-R357 IonicContact OE2-CZ 2.81Å; E354-R357 IonicContact OE2-NE 3.53Å; E354-R357 PolarHBondContact OE2-NE 3.43Å; E354-R357 IonicContact OE2-NH2 2.7Å; E354-M358 HydrophobicContact CG-CE 3.9Å; E354-M358 WeakPolarHBondContact O-CG 3.41Å; E354-M358 PolarHBondContact O-N 2.83Å; E354-M358 WeakPolarHBondContact OE1-CE 3.36Å |
| 355 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -40.8 | 174.4 | -69.3 | 178.4 | 0 | 0 | 0 | 112.3 | L294 F303 I306 L310 L312 I331 G351 V352 M358 E359 | L294-L355 HydrophobicContact CD1-CB 4.24Å; L294-L355 HydrophobicContact CD1-CD1 3.99Å; L294-L355 HydrophobicContact CD2-CB 4.36Å; F303-L355 HydrophobicContact CE2-CD2 4.18Å; I306-L355 HydrophobicContact CG2-CD2 3.99Å; L310-L355 HydrophobicContact CD1-CD2 4.17Å; L310-L355 HydrophobicContact CD1-CG 4.24Å; L312-L355 HydrophobicContact CD1-CD1 3.73Å; L312-L355 HydrophobicContact CD1-CG 4.32Å; I331-L355 HydrophobicContact CD1-CD1 4.46Å; I331-L355 HydrophobicContact CG1-CD1 4.39Å; I331-L355 HydrophobicContact CG2-CD1 4.21Å; G351-L355 WeakPolarHBondContact O-CG 3.42Å; G351-L355 PolarHBondContact O-N 2.76Å; V352-L355 PolarHBondContact O-N 3.31Å; L355-M358 PolarHBondContact O-N 3.4Å; L355-E359 WeakPolarHBondContact O-CB 3.42Å; L355-E359 PolarHBondContact O-N 3.18Å |
| 356 | I | 98.1 | Very high | 96.5 | Very high | 10 Ų | 10 | 51.6 Ų | 51.6 | 5% | 0.051 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.9 | -46.6 | 174.7 | -69.8 | 170.4 | 0 | 0 | 0 | 110.4 | L119 Y125 I126 I292 V352 K353 E354 M358 E359 E360 | L119-I356 HydrophobicContact CB-CD1 4.36Å; Y125-I356 HydrophobicContact CD2-CG1 4.31Å; Y125-I356 HydrophobicContact CD2-CG2 3.72Å; Y125-I356 HydrophobicContact CE2-CG2 3.8Å; Y125-I356 HydrophobicContact CG-CG1 4.33Å; Y125-I356 HydrophobicContact CG-CG2 4.42Å; I126-I356 HydrophobicContact CD1-CD1 4.03Å; I126-I356 HydrophobicContact CG1-CD1 4.26Å; I292-I356 HydrophobicContact CD1-CD1 4.06Å; I292-I356 HydrophobicContact CD1-CG1 3.73Å; V352-I356 HydrophobicContact CG1-CD1 4.04Å; V352-I356 HydrophobicContact CG1-CG1 4.47Å; V352-I356 WeakPolarHBondContact O-CG1 3.38Å; V352-I356 PolarHBondContact O-N 2.77Å; K353-I356 PolarHBondContact O-N 3.21Å; E354-I356 VanDerWaalsContact C-N 3.34Å; E354-I356 PolarHBondContact O-N 3.15Å; I356-M358 VanDerWaalsContact C-N 3.27Å; I356-M358 PolarHBondContact O-N 2.87Å; I356-E359 WeakPolarHBondContact O-CB 3.47Å; I356-E359 PolarHBondContact O-N 2.76Å; I356-E359 VanDerWaalsContact O-N 3.08Å; I356-E360 HydrophobicContact CG2-CG 4.45Å; I356-E360 WeakPolarHBondContact O-CG 3.37Å; I356-E360 PolarHBondContact O-N 2.98Å |
| 357 | R | 97.8 | Very high | 96.4 | Very high | 129 Ų | 129 | 51.9 Ų | 51.9 | 49% | 0.487 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -57.2 | -41.8 | 176.4 | -167.8 | -163 | 68.5 | 72 | -0.6 | 111.8 | K353 E354 S361 | K353-R357 PolarHBondContact O-N 2.72Å; E354-R357 WeakPolarHBondContact O-CB 3.16Å; E354-R357 PolarHBondContact O-N 3.24Å; E354-R357 IonicContact OE1-CZ 2.67Å; E354-R357 IonicContact OE1-NE 3.13Å; E354-R357 PolarHBondContact OE1-NE 3Å; E354-R357 IonicContact OE1-NH2 3.99Å; E354-R357 PolarHBondContact OE1-NH2 3.33Å; E354-R357 IonicContact OE2-CZ 2.81Å; E354-R357 IonicContact OE2-NE 3.53Å; E354-R357 PolarHBondContact OE2-NE 3.43Å; E354-R357 IonicContact OE2-NH2 2.7Å; R357-S361 PolarHBondContact O-N 3.17Å; R357-S361 PolarHBondContact O-OG 3.32Å |
| 358 | M | 97.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 52.9 Ų | 52.9 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -39.8 | 175.7 | -69.5 | -167 | -171.2 | 0 | 0 | 112.4 | V297 I306 E354 L355 I356 S361 | V297-M358 HydrophobicContact CB-CB 4.47Å; V297-M358 HydrophobicContact CG2-CB 3.81Å; V297-M358 HydrophobicContact CG2-SD 4.24Å; I306-M358 HydrophobicContact CD1-SD 4.19Å; I306-M358 HydrophobicContact CG2-CE 4.06Å; I306-M358 HydrophobicContact CG2-SD 4.08Å; E354-M358 HydrophobicContact CG-CE 3.9Å; E354-M358 WeakPolarHBondContact O-CG 3.41Å; E354-M358 PolarHBondContact O-N 2.83Å; E354-M358 WeakPolarHBondContact OE1-CE 3.36Å; L355-M358 PolarHBondContact O-N 3.4Å; I356-M358 VanDerWaalsContact C-N 3.27Å; I356-M358 PolarHBondContact O-N 2.87Å; M358-S361 PolarHBondContact O-N 3.43Å; M358-S361 PolarHBondContact O-OG 3.03Å |
| 359 | E | 96.7 | Very high | 96.1 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.7 | -177.2 | 63.9 | -157.2 | 0 | 0 | 112.3 | Y125 L294 P295 K296 V297 L355 I356 | Y125-E359 HydrophobicContact CD1-CG 3.94Å; Y125-E359 HydrophobicContact CE1-CB 4.37Å; Y125-E359 HydrophobicContact CE1-CG 3.57Å; L294-E359 HydrophobicContact CD2-CB 4.04Å; L294-E359 HydrophobicContact CD2-CG 4.23Å; P295-E359 WeakPolarHBondContact CD-OE1 3.36Å; P295-E359 WeakPolarHBondContact CG-OE1 3.42Å; K296-E359 WeakPolarHBondContact CB-OE1 3.33Å; K296-E359 WeakPolarHBondContact CB-OE2 3.45Å; K296-E359 VanDerWaalsContact CG-OE1 3.26Å; K296-E359 WeakPolarHBondContact CG-OE1 3.45Å; K296-E359 PolarHBondContact N-OE1 3.2Å; K296-E359 PolarHBondContact N-OE2 2.57Å; K296-E359 VanDerWaalsContact N-OE2 3.11Å; V297-E359 HydrophobicContact CG1-CB 4.39Å; V297-E359 WeakPolarHBondContact CG1-OE2 3.26Å; V297-E359 PolarHBondContact N-OE2 2.75Å; L355-E359 WeakPolarHBondContact O-CB 3.42Å; L355-E359 PolarHBondContact O-N 3.18Å; I356-E359 WeakPolarHBondContact O-CB 3.47Å; I356-E359 PolarHBondContact O-N 2.76Å; I356-E359 VanDerWaalsContact O-N 3.08Å |
| 360 | E | 95.9 | Very high | 95.9 | Very high | 111 Ų | 111 | 60.6 Ų | 60.6 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.4 | -32.2 | 176.2 | -75.4 | 174.4 | 170.5 | 0 | 0 | 113.2 | Y125 I356 R362 | Y125-E360 HydrophobicContact CE2-CG 4.13Å; Y125-E360 WeakPolarHBondContact OH-CG 3.28Å; I356-E360 HydrophobicContact CG2-CG 4.45Å; I356-E360 WeakPolarHBondContact O-CG 3.37Å; I356-E360 PolarHBondContact O-N 2.98Å; E360-R362 VanDerWaalsContact C-N 3.28Å; E360-R362 PolarHBondContact O-N 2.77Å |
| 361 | S | 92.6 | Very high | 95.7 | Very high | 86 Ų | 86 | 59.8 Ų | 59.8 | 60% | 0.601 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.1 | -176.6 | 70 | 0 | 0 | 0 | 0 | 115 | R357 M358 | R357-S361 PolarHBondContact O-N 3.17Å; R357-S361 PolarHBondContact O-OG 3.32Å; M358-S361 PolarHBondContact O-N 3.43Å; M358-S361 PolarHBondContact O-OG 3.03Å |
| 362 | R | 78.3 | Confident | 95.5 | Very high | 174 Ų | 174 | 64.9 Ų | 64.9 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | trans | -106.7 | 0 | 174.7 | -79.9 | -172 | 163.4 | -99.7 | -1.5 | 110.6 | K296 E360 | K296-R362 HydrophobicContact CB-CB 4Å; K296-R362 HydrophobicContact CD-CB 3.86Å; K296-R362 WeakPolarHBondContact CD-OXT 3.37Å; K296-R362 WeakPolarHBondContact CE-OXT 3.37Å; K296-R362 PolarHBondContact NZ-OXT 3.19Å; E360-R362 VanDerWaalsContact C-N 3.28Å; E360-R362 PolarHBondContact O-N 2.77Å |
Retrieved 362 of 362 residues in 287.4 ms
(Link to these results)