| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 58.5 | Low | 187 Ų | 187 | 78.1 Ų | 78.1 | 92% | 0.921 | 45% | 0.453 | S | S | * | . | 0 | -3.1 | 0 | -76.7 | -161.8 | -108.4 | 0 | 0 | 114.7 | K287 | M1-K287 HydrophobicContact CE-CG 4.44Å; M1-K287 HydrophobicContact SD-CG 4.46Å | |||
| 2 | A | 22.5 | Very low | 61.3 | Low | 93 Ų | 93 | 74.3 Ų | 74.3 | 77% | 0.769 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 3.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 3 | A | 26.1 | Very low | 63.9 | Low | 82 Ų | 82 | 68.6 Ų | 68.6 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 4 | V | 39 | Very low | 66 | Low | 87 Ų | 87 | 66.4 Ų | 66.4 | 53% | 0.527 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -89 | -13.3 | -178.3 | -173.2 | 0 | 0 | 0 | 0 | 111.9 | D6 | V4-D6 VanDerWaalsContact C-N 3.31Å; V4-D6 PolarHBondContact O-N 3.34Å |
| 5 | S | 41.4 | Very low | 67.7 | Low | 78 Ų | 78 | 70.6 Ų | 70.6 | 55% | 0.545 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -16.2 | -173.4 | 59.2 | 0 | 0 | 0 | 0 | 115.1 | R11 | S5-R11 WeakPolarHBondContact O-CD 3.31Å; S5-R11 PolarHBondContact O-NH1 2.83Å |
| 6 | D | 48.5 | Very low | 69.1 | Low | 87 Ų | 87 | 70.1 Ų | 70.1 | 47% | 0.465 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -8.8 | -176.9 | -86.3 | 39.3 | 0 | 0 | 0 | 114.4 | V4 R11 | V4-D6 VanDerWaalsContact C-N 3.31Å; V4-D6 PolarHBondContact O-N 3.34Å; D6-R11 VanDerWaalsContact CG-CZ 3.43Å; D6-R11 IonicContact OD1-CZ 3.37Å; D6-R11 IonicContact OD1-NH1 3.19Å; D6-R11 PolarHBondContact OD1-NH1 3.49Å; D6-R11 IonicContact OD1-NH2 2.79Å; D6-R11 PolarHBondContact OD1-NH2 2.92Å; D6-R11 IonicContact OD2-CZ 3.08Å; D6-R11 IonicContact OD2-NH1 3.32Å; D6-R11 IonicContact OD2-NH2 3.52Å; D6-R11 PolarHBondContact OD2-NH2 3.48Å |
| 7 | H | 64.5 | Low | 70.5 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 40% | 0.398 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.6 | -2.5 | -167.4 | -61.4 | -65.5 | 0 | 0 | 0 | 116.1 | I12 | H7-I12 WeakPolarHBondContact O-CD1 3.28Š|
| 8 | G | 88.3 | Confident | 71.6 | Confident | 9 Ų | 9 | 66.4 Ų | 66.4 | 9% | 0.093 | 36% | 0.356 | C | S | . | . | trans | -66.5 | 150 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K10 R11 I12 | G8-K10 VanDerWaalsContact C-N 3.3Å; G8-K10 PolarHBondContact O-N 3.32Å; G8-R11 WeakPolarHBondContact O-CB 3.39Å; G8-R11 PolarHBondContact O-N 3.08Å; G8-I12 PolarHBondContact O-N 3.14Å | ||
| 9 | L | 93.6 | Very high | 72.5 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -48.9 | -44.5 | -179.4 | -80.1 | 174.2 | 0 | 0 | 0 | 113.9 | R11 I12 V13 P139 A142 F145 L178 L182 I557 | L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 2.85Å; L9-I12 PolarHBondContact O-N 3.04Å; L9-V13 WeakPolarHBondContact O-CB 2.97Å; L9-V13 WeakPolarHBondContact O-CG2 2.98Å; L9-V13 PolarHBondContact O-N 3.07Å; L9-P139 HydrophobicContact CB-CB 3.88Å; L9-A142 WeakPolarHBondContact CG-O 3.41Å; L9-A142 PolarHBondContact N-O 3.43Å; L9-F145 HydrophobicContact CD1-CB 4.09Å; L9-L178 HydrophobicContact CD2-CD1 4.08Å; L9-L182 HydrophobicContact CD2-CD2 3.76Å; L9-L182 HydrophobicContact CD2-CG 4.47Å; L9-I557 HydrophobicContact CD1-CG2 3.89Å; L9-I557 HydrophobicContact CD2-CD1 4.29Å |
| 10 | K | 93.6 | Very high | 73.2 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.3 | -45.4 | 177.6 | -70.9 | -177.4 | 175.8 | -179.2 | 0 | 111.9 | G8 W14 S46 C47 P139 Q140 E280 | G8-K10 VanDerWaalsContact C-N 3.3Å; G8-K10 PolarHBondContact O-N 3.32Å; K10-W14 WeakPolarHBondContact O-CB 3.46Å; K10-W14 PolarHBondContact O-N 3.06Å; K10-S46 WeakPolarHBondContact CD-O 3.34Å; K10-S46 VanDerWaalsContact CE-O 3.3Å; K10-S46 WeakPolarHBondContact CE-O 3.48Å; K10-C47 HydrophobicContact CB-CB 4.33Å; K10-C47 WeakPolarHBondContact O-CB 3.42Å; K10-P139 WeakPolarHBondContact CE-O 3.41Å; K10-P139 HydrophobicContact CG-CB 3.91Å; K10-P139 HydrophobicContact CG-CG 4.13Å; K10-P139 WeakPolarHBondContact CG-O 3.23Å; K10-Q140 WeakPolarHBondContact CE-O 3.27Å; K10-Q140 PolarHBondContact NZ-O 3Å; K10-E280 WeakPolarHBondContact CD-OE2 3.3Å; K10-E280 IonicContact NZ-OE2 3.98Å |
| 11 | R | 91.2 | Very high | 73.8 | Confident | 116 Ų | 116 | 63.7 Ų | 63.7 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.8 | -37.8 | 179.3 | -175.5 | 170.7 | 172.9 | 170.5 | -13.1 | 112 | S5 D6 G8 L9 W14 K15 | S5-R11 WeakPolarHBondContact O-CD 3.31Å; S5-R11 PolarHBondContact O-NH1 2.83Å; D6-R11 VanDerWaalsContact CG-CZ 3.43Å; D6-R11 IonicContact OD1-CZ 3.37Å; D6-R11 IonicContact OD1-NH1 3.19Å; D6-R11 PolarHBondContact OD1-NH1 3.49Å; D6-R11 IonicContact OD1-NH2 2.79Å; D6-R11 PolarHBondContact OD1-NH2 2.92Å; D6-R11 IonicContact OD2-CZ 3.08Å; D6-R11 IonicContact OD2-NH1 3.32Å; D6-R11 IonicContact OD2-NH2 3.52Å; D6-R11 PolarHBondContact OD2-NH2 3.48Å; G8-R11 WeakPolarHBondContact O-CB 3.39Å; G8-R11 PolarHBondContact O-N 3.08Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 2.85Å; R11-W14 PolarHBondContact O-N 3.03Å; R11-K15 WeakPolarHBondContact O-CB 3.35Å; R11-K15 PolarHBondContact O-N 3.13Å |
| 12 | I | 93.1 | Very high | 76.1 | Confident | 33 Ų | 33 | 55.2 Ų | 55.2 | 17% | 0.169 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 175.1 | -65 | 174.3 | 0 | 0 | 0 | 110.1 | H7 G8 L9 K15 R16 T181 L182 | H7-I12 WeakPolarHBondContact O-CD1 3.28Å; G8-I12 PolarHBondContact O-N 3.14Å; L9-I12 PolarHBondContact O-N 3.04Å; I12-K15 PolarHBondContact O-N 3.39Å; I12-R16 WeakPolarHBondContact O-CB 3.24Å; I12-R16 PolarHBondContact O-N 2.62Å; I12-T181 HydrophobicContact CG2-CG2 3.92Å; I12-L182 HydrophobicContact CD1-CD2 3.87Å |
| 13 | V | 94.6 | Very high | 78.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 177.4 | 168.5 | 0 | 0 | 0 | 0 | 110.8 | L9 K15 R16 I17 L43 C47 I135 F137 P139 T181 | L9-V13 WeakPolarHBondContact O-CB 2.97Å; L9-V13 WeakPolarHBondContact O-CG2 2.98Å; L9-V13 PolarHBondContact O-N 3.07Å; V13-K15 PolarHBondContact O-N 3.29Å; V13-R16 PolarHBondContact O-N 3.43Å; V13-I17 HydrophobicContact CG1-CD1 3.88Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 3.36Å; V13-L43 HydrophobicContact CG1-CD1 3.8Å; V13-L43 HydrophobicContact CG1-CG 4.5Å; V13-C47 HydrophobicContact CG1-CB 4.34Å; V13-I135 HydrophobicContact CG1-CD1 4.42Å; V13-I135 HydrophobicContact CG1-CG2 4.37Å; V13-F137 HydrophobicContact CG2-CE2 3.97Å; V13-F137 HydrophobicContact CG2-CZ 3.69Å; V13-P139 HydrophobicContact CB-CG 4.17Å; V13-P139 HydrophobicContact CG1-CG 4.26Å; V13-P139 HydrophobicContact CG2-CB 4.23Å; V13-P139 HydrophobicContact CG2-CG 3.99Å; V13-T181 HydrophobicContact CG2-CG2 4.1Å |
| 14 | W | 93.3 | Very high | 81.4 | Confident | 37 Ų | 37 | 52.1 Ų | 52.1 | 14% | 0.14 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.3 | -44.3 | 178.5 | 176.4 | -128.5 | 0 | 0 | 0 | 112.5 | K10 R11 R16 I17 K18 L44 C47 C48 D52 L53 | K10-W14 WeakPolarHBondContact O-CB 3.46Å; K10-W14 PolarHBondContact O-N 3.06Å; R11-W14 PolarHBondContact O-N 3.03Å; W14-R16 VanDerWaalsContact C-N 3.33Å; W14-R16 PolarHBondContact O-N 3.02Å; W14-I17 HydrophobicContact CE3-CB 4.35Å; W14-I17 HydrophobicContact CE3-CG2 4.21Å; W14-I17 HydrophobicContact CZ3-CG2 4.06Å; W14-I17 PolarHBondContact O-N 3.09Å; W14-K18 WeakPolarHBondContact O-CB 3.22Å; W14-K18 PolarHBondContact O-N 3.46Å; W14-L44 HydrophobicContact CE3-CD2 4.44Å; W14-L44 HydrophobicContact CZ3-CD2 4.04Å; W14-C47 HydrophobicContact CB-CB 4.11Å; W14-C48 HydrophobicContact CD2-CB 3.74Å; W14-C48 HydrophobicContact CE3-CB 3.5Å; W14-C48 VanDerWaalsContact CE3-CB 3.5Å; W14-C48 HydrophobicContact CG-CB 4.5Å; W14-C48 HydrophobicContact CH2-CB 3.84Å; W14-C48 HydrophobicContact CZ2-CB 4.05Å; W14-C48 HydrophobicContact CZ3-CB 3.55Å; W14-D52 HydrophobicContact CZ2-CB 3.96Å; W14-L53 HydrophobicContact CH2-CD2 3.83Å; W14-L53 HydrophobicContact CZ3-CD2 4.12Å |
| 15 | K | 91.5 | Very high | 82.9 | Confident | 130 Ų | 130 | 48.2 Ų | 48.2 | 57% | 0.565 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.1 | -45.4 | 176 | -176 | 178.7 | 178.6 | -173.4 | 0 | 110.9 | R11 I12 V13 I17 K18 D19 | R11-K15 WeakPolarHBondContact O-CB 3.35Å; R11-K15 PolarHBondContact O-N 3.13Å; I12-K15 PolarHBondContact O-N 3.39Å; V13-K15 PolarHBondContact O-N 3.29Å; K15-I17 PolarHBondContact O-N 3.44Å; K15-K18 PolarHBondContact O-N 3.41Å; K15-D19 WeakPolarHBondContact CG-OD2 3.49Å; K15-D19 WeakPolarHBondContact O-CB 3.3Å; K15-D19 VanDerWaalsContact O-CG 3.22Å; K15-D19 PolarHBondContact O-N 2.81Å |
| 16 | R | 90.9 | Very high | 84.2 | Confident | 62 Ų | 62 | 51.3 Ų | 51.3 | 23% | 0.234 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.5 | -173.2 | 170.6 | 177.4 | 129.6 | -10.5 | 112.1 | I12 V13 W14 K18 D19 T20 I133 I135 A180 T181 | I12-R16 WeakPolarHBondContact O-CB 3.24Å; I12-R16 PolarHBondContact O-N 2.62Å; V13-R16 PolarHBondContact O-N 3.43Å; W14-R16 VanDerWaalsContact C-N 3.33Å; W14-R16 PolarHBondContact O-N 3.02Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 3.35Å; R16-D19 PolarHBondContact O-N 2.74Å; R16-T20 WeakPolarHBondContact O-CB 3.32Å; R16-T20 WeakPolarHBondContact O-CG2 3.45Å; R16-T20 PolarHBondContact O-N 3.46Å; R16-T20 PolarHBondContact O-OG1 3.18Å; R16-I133 HydrophobicContact CG-CG2 4.44Å; R16-I133 PolarHBondContact NE-O 3.02Å; R16-I133 VanDerWaalsContact NE-O 3.17Å; R16-I133 PolarHBondContact NH2-O 3.26Å; R16-I135 HydrophobicContact CB-CD1 4.27Å; R16-I135 HydrophobicContact CG-CD1 4.04Å; R16-A180 PolarHBondContact NH1-O 3.07Å; R16-T181 VanDerWaalsContact NH1-CA 3.33Å |
| 17 | I | 92.3 | Very high | 84.9 | Confident | 3 Ų | 3 | 57.1 Ų | 57.1 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 175.4 | -71.1 | 171.3 | 0 | 0 | 0 | 110.8 | V13 W14 K15 T20 I21 I22 L43 L44 F79 I135 | V13-I17 HydrophobicContact CG1-CD1 3.88Å; V13-I17 WeakPolarHBondContact O-CG1 3.4Å; V13-I17 PolarHBondContact O-N 3.36Å; W14-I17 HydrophobicContact CE3-CB 4.35Å; W14-I17 HydrophobicContact CE3-CG2 4.21Å; W14-I17 HydrophobicContact CZ3-CG2 4.06Å; W14-I17 PolarHBondContact O-N 3.09Å; K15-I17 PolarHBondContact O-N 3.44Å; I17-T20 PolarHBondContact O-N 3.3Å; I17-T20 PolarHBondContact O-OG1 3.24Å; I17-I21 HydrophobicContact CG2-CD1 3.88Å; I17-I21 HydrophobicContact CG2-CG1 4.49Å; I17-I21 WeakPolarHBondContact O-CB 3.2Å; I17-I21 PolarHBondContact O-N 3.21Å; I17-I22 PolarHBondContact O-N 3.33Å; I17-L43 HydrophobicContact CD1-CG 4.48Å; I17-L44 HydrophobicContact CD1-CD2 3.93Å; I17-L44 HydrophobicContact CG2-CD2 4.08Å; I17-F79 HydrophobicContact CD1-CE1 4.18Å; I17-I135 HydrophobicContact CG1-CD1 4.07Å |
| 18 | K | 90.1 | Very high | 84.7 | Confident | 71 Ų | 71 | 53.8 Ų | 53.8 | 31% | 0.309 | 26% | 0.255 | S | S | . | . | I | π-helix | trans | -63.9 | -47.5 | 178.8 | -176 | 172.6 | -179.7 | 155.6 | 0 | 112.2 | W14 K15 R16 T20 I22 A23 E56 | W14-K18 WeakPolarHBondContact O-CB 3.22Å; W14-K18 PolarHBondContact O-N 3.46Å; K15-K18 PolarHBondContact O-N 3.41Å; R16-K18 VanDerWaalsContact C-N 3.34Å; R16-K18 PolarHBondContact O-N 3.35Å; K18-T20 VanDerWaalsContact C-N 3.26Å; K18-T20 PolarHBondContact O-N 3.16Å; K18-I22 HydrophobicContact CG-CB 4.42Å; K18-I22 WeakPolarHBondContact O-CB 3.36Å; K18-I22 PolarHBondContact O-N 2.94Å; K18-A23 PolarHBondContact O-N 3.2Å; K18-E56 WeakPolarHBondContact CE-OE1 3.35Å; K18-E56 IonicContact NZ-OE1 2.8Å; K18-E56 PolarHBondContact NZ-OE1 2.91Å |
| 19 | D | 88.3 | Confident | 83.5 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 51% | 0.508 | 29% | 0.288 | S | S | . | . | I | π-helix | trans | -71.6 | -22 | -176.6 | -68.3 | -14.7 | 0 | 0 | 0 | 112.6 | K15 R16 A23 | K15-D19 WeakPolarHBondContact CG-OD2 3.49Å; K15-D19 WeakPolarHBondContact O-CB 3.3Å; K15-D19 VanDerWaalsContact O-CG 3.22Å; K15-D19 PolarHBondContact O-N 2.81Å; R16-D19 PolarHBondContact O-N 2.74Å; D19-A23 VanDerWaalsContact O-CB 3.32Å; D19-A23 WeakPolarHBondContact O-CB 3.49Å |
| 20 | T | 86.2 | Confident | 82.6 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 27% | 0.27 | 31% | 0.309 | S | S | . | . | I | π-helix | trans | -98.5 | -72.9 | 177.3 | 55 | 0 | 0 | 0 | 0 | 111.4 | R16 I17 K18 D24 | R16-T20 WeakPolarHBondContact O-CB 3.32Å; R16-T20 WeakPolarHBondContact O-CG2 3.45Å; R16-T20 PolarHBondContact O-N 3.46Å; R16-T20 PolarHBondContact O-OG1 3.18Å; I17-T20 PolarHBondContact O-N 3.3Å; I17-T20 PolarHBondContact O-OG1 3.24Å; K18-T20 VanDerWaalsContact C-N 3.26Å; K18-T20 PolarHBondContact O-N 3.16Å; T20-D24 WeakPolarHBondContact O-CB 3.48Å; T20-D24 PolarHBondContact O-N 3.28Å; T20-D24 VanDerWaalsContact O-OD2 3.14Å |
| 21 | I | 87 | Confident | 82.1 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.015 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -63.7 | -54.1 | -173.2 | -59 | 176.7 | 0 | 0 | 0 | 111.3 | I17 C25 I77 F79 Y106 I133 | I17-I21 HydrophobicContact CG2-CD1 3.88Å; I17-I21 HydrophobicContact CG2-CG1 4.49Å; I17-I21 WeakPolarHBondContact O-CB 3.2Å; I17-I21 PolarHBondContact O-N 3.21Å; I21-C25 WeakPolarHBondContact O-CB 3.49Å; I21-C25 PolarHBondContact O-N 2.87Å; I21-C25 PolarHBondContact O-SG 3.14Å; I21-I77 HydrophobicContact CG2-CD1 4.44Å; I21-I77 HydrophobicContact CG2-CG2 3.65Å; I21-F79 HydrophobicContact CD1-CB 4.26Å; I21-F79 HydrophobicContact CD1-CD1 3.95Å; I21-F79 HydrophobicContact CD1-CD2 3.94Å; I21-F79 HydrophobicContact CD1-CE1 4.23Å; I21-F79 HydrophobicContact CD1-CE2 4.25Å; I21-F79 HydrophobicContact CD1-CG 3.79Å; I21-F79 HydrophobicContact CD1-CZ 4.37Å; I21-Y106 HydrophobicContact CB-CD2 4.49Å; I21-Y106 HydrophobicContact CB-CE1 4.49Å; I21-Y106 HydrophobicContact CB-CE2 4.4Å; I21-Y106 HydrophobicContact CD1-CG 4.4Å; I21-Y106 HydrophobicContact CG1-CD1 3.88Å; I21-Y106 HydrophobicContact CG1-CD2 4.18Å; I21-Y106 HydrophobicContact CG1-CE1 4.25Å; I21-Y106 HydrophobicContact CG1-CG 3.85Å; I21-Y106 HydrophobicContact CG2-CD2 3.89Å; I21-Y106 HydrophobicContact CG2-CE2 3.74Å; I21-Y106 HydrophobicContact CG2-CG 4.42Å; I21-Y106 PolarHBondContact O-OH 3.27Å; I21-I133 HydrophobicContact CD1-CD1 3.19Å; I21-I133 HydrophobicContact CG1-CD1 3.28Å; I21-I133 HydrophobicContact CG1-CG1 4.44Å |
| 22 | I | 82.4 | Confident | 81.9 | Confident | 10 Ų | 10 | 63.3 Ų | 63.3 | 5% | 0.051 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -74.8 | -43.8 | -169.1 | -54.5 | -58.8 | 0 | 0 | 0 | 110.5 | I17 K18 C25 K26 E56 I58 | I17-I22 PolarHBondContact O-N 3.33Å; K18-I22 HydrophobicContact CG-CB 4.42Å; K18-I22 WeakPolarHBondContact O-CB 3.36Å; K18-I22 PolarHBondContact O-N 2.94Å; I22-C25 CarbonylContact O-C 3.58Å; I22-C25 WeakPolarHBondContact O-CA 3.41Å; I22-C25 PolarHBondContact O-N 2.79Å; I22-C25 VanDerWaalsContact O-N 3.08Å; I22-K26 PolarHBondContact O-N 2.96Å; I22-E56 HydrophobicContact CG2-CB 3.65Å; I22-E56 HydrophobicContact CG2-CG 3.87Å; I22-E56 VanDerWaalsContact CG2-OE2 3.28Å; I22-E56 WeakPolarHBondContact CG2-OE2 3.45Å; I22-I58 HydrophobicContact CD1-CD1 3.53Å |
| 23 | A | 82.3 | Confident | 81.9 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 39% | 0.388 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K18 D19 C25 K26 | K18-A23 PolarHBondContact O-N 3.2Å; D19-A23 VanDerWaalsContact O-CB 3.32Å; D19-A23 WeakPolarHBondContact O-CB 3.49Å; A23-C25 PolarHBondContact O-N 3.09Å; A23-C25 VanDerWaalsContact O-N 3.14Å; A23-K26 VanDerWaalsContact O-CB 3.31Å; A23-K26 WeakPolarHBondContact O-CB 3.49Å; A23-K26 PolarHBondContact O-N 3.14Å |
| 24 | D | 77 | Confident | 81.9 | Confident | 62 Ų | 62 | 62 Ų | 62 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.6 | -29.5 | 174.8 | -80.1 | -23.5 | 0 | 0 | 0 | 112.1 | T20 Y106 K131 | T20-D24 WeakPolarHBondContact O-CB 3.48Å; T20-D24 PolarHBondContact O-N 3.28Å; T20-D24 VanDerWaalsContact O-OD2 3.14Å; D24-Y106 VanDerWaalsContact CB-OH 3.3Å; D24-Y106 WeakPolarHBondContact CB-OH 3.4Å; D24-K131 VanDerWaalsContact CG-NZ 3.26Å; D24-K131 IonicContact OD1-NZ 2.85Å; D24-K131 PolarHBondContact OD1-NZ 3.11Å; D24-K131 VanDerWaalsContact OD1-NZ 3.12Å; D24-K131 WeakPolarHBondContact OD2-CD 3.3Å; D24-K131 WeakPolarHBondContact OD2-CE 3.14Å; D24-K131 IonicContact OD2-NZ 3.57Å; D24-K131 PolarHBondContact OD2-NZ 2.76Å |
| 25 | C | 71.3 | Confident | 82.1 | Confident | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.034 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -92.5 | -7.2 | -178.4 | -65.2 | 0 | 0 | 0 | 0 | 113.5 | I21 I22 A23 K27 S28 K32 I77 Y106 | I21-C25 WeakPolarHBondContact O-CB 3.49Å; I21-C25 PolarHBondContact O-N 2.87Å; I21-C25 PolarHBondContact O-SG 3.14Å; I22-C25 CarbonylContact O-C 3.58Å; I22-C25 WeakPolarHBondContact O-CA 3.41Å; I22-C25 PolarHBondContact O-N 2.79Å; I22-C25 VanDerWaalsContact O-N 3.08Å; A23-C25 PolarHBondContact O-N 3.09Å; A23-C25 VanDerWaalsContact O-N 3.14Å; C25-K27 PolarHBondContact O-N 2.71Å; C25-S28 PolarHBondContact O-N 3.48Å; C25-K32 HydrophobicContact CB-CD 3.88Å; C25-K32 WeakPolarHBondContact O-CE 3.29Å; C25-K32 PolarHBondContact O-NZ 3.33Å; C25-I77 HydrophobicContact CB-CD1 4.18Å; C25-Y106 PolarHBondContact SG-OH 3.11Å; C25-Y106 VanDerWaalsContact SG-OH 3.39Å |
| 26 | K | 69.1 | Low | 82.4 | Confident | 143 Ų | 143 | 54.2 Ų | 54.2 | 62% | 0.622 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -25.1 | -168.4 | -159.8 | 168.2 | -173.9 | 165.1 | 0 | 114.6 | I22 A23 S28 | I22-K26 PolarHBondContact O-N 2.96Å; A23-K26 VanDerWaalsContact O-CB 3.31Å; A23-K26 WeakPolarHBondContact O-CB 3.49Å; A23-K26 PolarHBondContact O-N 3.14Å; K26-S28 PolarHBondContact O-N 3.19Å |
| 27 | K | 63.4 | Low | 82.7 | Confident | 209 Ų | 209 | 51.4 Ų | 51.4 | 91% | 0.909 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -5.6 | 178.5 | -68 | -174.7 | 179.8 | 178.5 | 0 | 114.5 | C25 | C25-K27 PolarHBondContact O-N 2.71Š|
| 28 | S | 59.8 | Low | 82.9 | Confident | 16 Ų | 16 | 54.6 Ų | 54.6 | 11% | 0.112 | 27% | 0.274 | C | S | . | . | trans | -101.5 | 111 | 177.2 | -169.1 | 0 | 0 | 0 | 0 | 108.6 | C25 K26 V30 K32 K75 | C25-S28 PolarHBondContact O-N 3.48Å; K26-S28 PolarHBondContact O-N 3.19Å; S28-V30 PolarHBondContact O-N 3.12Å; S28-K32 PolarHBondContact O-NZ 3.15Å; S28-K75 PolarHBondContact OG-NZ 2.66Å; S28-K75 VanDerWaalsContact OG-NZ 3.09Å | ||
| 29 | E | 62.8 | Low | 83.1 | Confident | 168 Ų | 168 | 52.6 Ų | 52.6 | 79% | 0.785 | 27% | 0.265 | S | S | * | . | trans | -59.8 | -13.2 | 175.7 | -68.2 | -169.8 | 154.2 | 0 | 0 | 113.4 | R57 | E29-R57 PolarHBondContact O-NH1 3.48Š| ||
| 30 | V | 74.4 | Confident | 83.5 | Confident | 73 Ų | 73 | 48.1 Ų | 48.1 | 44% | 0.442 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -79.2 | 139.8 | -178.4 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | S28 K32 | S28-V30 PolarHBondContact O-N 3.12Å; V30-K32 PolarHBondContact O-NZ 3.33Å |
| 31 | W | 82.9 | Confident | 84 | Confident | 109 Ų | 109 | 48.9 Ų | 48.9 | 41% | 0.413 | 25% | 0.246 | S | C | . | . | trans | -56.6 | 150.6 | 166.6 | -68.9 | 96.3 | 0 | 0 | 0 | 112.1 | R57 T59 M74 | W31-R57 HydrophobicContact CD2-CB 4.38Å; W31-R57 VanDerWaalsContact CE3-C 3.45Å; W31-R57 HydrophobicContact CE3-CB 3.96Å; W31-R57 HydrophobicContact CZ3-CB 4.22Å; W31-T59 HydrophobicContact CB-CG2 4.26Å; W31-T59 HydrophobicContact CD2-CG2 3.69Å; W31-T59 HydrophobicContact CE3-CG2 3.34Å; W31-T59 HydrophobicContact CG-CG2 4.1Å; W31-T59 HydrophobicContact CZ3-CG2 3.87Å; W31-M74 HydrophobicContact CB-CE 4.35Å | ||
| 32 | K | 87.2 | Confident | 84.4 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 151 | -172.1 | -55.8 | 178.9 | -170.3 | 75.2 | 0 | 111.1 | C25 S28 V30 R57 T59 I77 | C25-K32 HydrophobicContact CB-CD 3.88Å; C25-K32 WeakPolarHBondContact O-CE 3.29Å; C25-K32 PolarHBondContact O-NZ 3.33Å; S28-K32 PolarHBondContact O-NZ 3.15Å; V30-K32 PolarHBondContact O-NZ 3.33Å; K32-R57 PolarHBondContact N-O 3.25Å; K32-R57 VanDerWaalsContact N-O 3.12Å; K32-T59 PolarHBondContact O-N 3.1Å; K32-T59 VanDerWaalsContact O-N 3.12Å; K32-T59 PolarHBondContact O-OG1 3.33Å; K32-I77 HydrophobicContact CB-CD1 4.23Å; K32-I77 HydrophobicContact CD-CD1 3.85Å; K32-I77 HydrophobicContact CD-CG1 4.39Å |
| 33 | I | 92.6 | Very high | 85 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 130.5 | 173.6 | -56.4 | 172.4 | 0 | 0 | 0 | 107.4 | I35 E62 V71 M74 K75 A76 I77 Y100 | I33-I35 HydrophobicContact CG2-CG1 4.21Å; I33-E62 HydrophobicContact CG2-CG 4.21Å; I33-V71 HydrophobicContact CD1-CB 3.77Å; I33-V71 HydrophobicContact CD1-CG1 4.16Å; I33-V71 HydrophobicContact CD1-CG2 3.89Å; I33-M74 HydrophobicContact CD1-CB 3.97Å; I33-M74 HydrophobicContact CD1-SD 4.02Å; I33-M74 HydrophobicContact CG1-CB 4.26Å; I33-M74 HydrophobicContact CG1-SD 3.86Å; I33-K75 PolarHBondContact N-O 3.07Å; I33-A76 CarbonylContact O-C 3.59Å; I33-A76 WeakPolarHBondContact O-CA 3.28Å; I33-I77 PolarHBondContact O-N 2.92Å; I33-Y100 HydrophobicContact CD1-CD1 3.9Å; I33-Y100 HydrophobicContact CD1-CE1 3.68Å; I33-Y100 HydrophobicContact CG2-CE1 4.45Å |
| 34 | L | 95.3 | Very high | 85.5 | Confident | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 126.2 | 175.4 | 179.7 | 64.1 | 0 | 0 | 0 | 109.2 | L36 L44 L53 I58 I60 V61 E62 I77 F79 | L34-L36 HydrophobicContact CD1-CD2 3.85Å; L34-L36 HydrophobicContact CD2-CD1 4.18Å; L34-L36 HydrophobicContact CD2-CD2 4.01Å; L34-L36 HydrophobicContact CD2-CG 4.26Å; L34-L36 HydrophobicContact CG-CD1 4.42Å; L34-L36 HydrophobicContact CG-CD2 3.73Å; L34-L36 HydrophobicContact CG-CG 3.99Å; L34-L44 HydrophobicContact CD2-CD1 3.7Å; L34-L53 HydrophobicContact CD2-CD2 4.34Å; L34-I58 HydrophobicContact CB-CG2 3.66Å; L34-I58 HydrophobicContact CD2-CD1 4.19Å; L34-I58 HydrophobicContact CD2-CG2 4.47Å; L34-I60 PolarHBondContact N-O 3.41Å; L34-V61 HydrophobicContact CB-CG2 4.37Å; L34-V61 HydrophobicContact CD2-CG1 4.48Å; L34-V61 HydrophobicContact CD2-CG2 4.24Å; L34-V61 CarbonylContact O-C 3.52Å; L34-V61 VanDerWaalsContact O-CA 3.28Å; L34-V61 WeakPolarHBondContact O-CA 3.4Å; L34-E62 PolarHBondContact O-N 2.92Å; L34-I77 CarbonylContact C-O 3.6Å; L34-I77 HydrophobicContact CD1-CB 3.93Å; L34-I77 HydrophobicContact CD1-CG2 3.62Å; L34-F79 HydrophobicContact CD1-CB 4.4Å |
| 35 | I | 97.4 | Very high | 86.3 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 124 | -178.3 | -59.2 | 160.4 | 0 | 0 | 0 | 107.7 | I33 E62 L64 A76 I77 Y78 F79 Y100 | I33-I35 HydrophobicContact CG2-CG1 4.21Å; I35-E62 WeakPolarHBondContact CA-O 3.25Å; I35-L64 HydrophobicContact CG2-CB 3.89Å; I35-L64 HydrophobicContact CG2-CD1 3.8Å; I35-L64 HydrophobicContact CG2-CG 4.45Å; I35-A76 HydrophobicContact CD1-CB 3.71Å; I35-I77 PolarHBondContact N-O 2.77Å; I35-Y78 HydrophobicContact CB-CD1 3.9Å; I35-Y78 HydrophobicContact CB-CE1 4.08Å; I35-Y78 HydrophobicContact CB-CG 4.4Å; I35-Y78 HydrophobicContact CD1-CD1 3.97Å; I35-Y78 HydrophobicContact CD1-CD2 4.24Å; I35-Y78 HydrophobicContact CD1-CE1 3.41Å; I35-Y78 VanDerWaalsContact CD1-CE1 3.41Å; I35-Y78 HydrophobicContact CD1-CE2 3.72Å; I35-Y78 HydrophobicContact CD1-CG 4.35Å; I35-Y78 HydrophobicContact CG1-CE1 4.36Å; I35-Y78 HydrophobicContact CG2-CD1 3.8Å; I35-Y78 HydrophobicContact CG2-CE1 3.83Å; I35-F79 PolarHBondContact O-N 2.83Å; I35-Y100 HydrophobicContact CD1-CD2 4.2Å; I35-Y100 HydrophobicContact CD1-CE2 3.45Å; I35-Y100 VanDerWaalsContact CD1-CE2 3.45Å |
| 36 | L | 97.6 | Very high | 87.2 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 149.4 | -171.8 | -57.2 | 179.8 | 0 | 0 | 0 | 110.8 | L34 T40 T41 L44 V61 E62 L64 F79 | L34-L36 HydrophobicContact CD1-CD2 3.85Å; L34-L36 HydrophobicContact CD2-CD1 4.18Å; L34-L36 HydrophobicContact CD2-CD2 4.01Å; L34-L36 HydrophobicContact CD2-CG 4.26Å; L34-L36 HydrophobicContact CG-CD1 4.42Å; L34-L36 HydrophobicContact CG-CD2 3.73Å; L34-L36 HydrophobicContact CG-CG 3.99Å; L36-T40 WeakPolarHBondContact CA-OG1 3.29Å; L36-T40 WeakPolarHBondContact CB-OG1 3.46Å; L36-T41 WeakPolarHBondContact CB-OG1 3.33Å; L36-L44 HydrophobicContact CD1-CB 4.47Å; L36-L44 HydrophobicContact CD1-CD1 3.49Å; L36-L44 VanDerWaalsContact CD1-CD1 3.49Å; L36-L44 HydrophobicContact CD2-CD1 3.5Å; L36-L44 HydrophobicContact CG-CD1 4.14Å; L36-V61 HydrophobicContact CD1-CG1 3.48Å; L36-V61 VanDerWaalsContact CD1-CG1 3.48Å; L36-V61 HydrophobicContact CG-CG1 4.03Å; L36-E62 PolarHBondContact N-O 2.63Å; L36-L64 WeakPolarHBondContact O-CB 3.43Å; L36-L64 PolarHBondContact O-N 3.3Å; L36-F79 HydrophobicContact CD2-CB 3.79Å; L36-F79 HydrophobicContact CD2-CD1 4.05Å; L36-F79 HydrophobicContact CD2-CG 4.37Å |
| 37 | D | 97.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 24% | 0.241 | C | C | . | . | trans | -91.9 | 176 | 164.9 | 81.9 | -15.4 | 0 | 0 | 0 | 109.7 | F39 T40 T41 L64 F65 M80 T81 C86 | D37-F39 VanDerWaalsContact C-N 3.28Å; D37-F39 PolarHBondContact O-N 2.92Å; D37-F39 PolarHBondContact OD1-N 2.84Å; D37-T40 PolarHBondContact N-OG1 3.5Å; D37-T40 PolarHBondContact O-N 3.2Å; D37-T40 PolarHBondContact O-OG1 3.04Å; D37-T40 WeakPolarHBondContact OD1-CB 3.47Å; D37-T40 WeakPolarHBondContact OD1-CG2 3.47Å; D37-T40 PolarHBondContact OD1-N 3.37Å; D37-T40 PolarHBondContact OD1-OG1 3.46Å; D37-T41 VanDerWaalsContact O-CB 3.25Å; D37-T41 WeakPolarHBondContact O-CB 3.29Å; D37-T41 PolarHBondContact O-N 3.37Å; D37-T41 PolarHBondContact O-OG1 3.08Å; D37-L64 HydrophobicContact CB-CD2 4.27Å; D37-F65 HydrophobicContact CB-CE2 4.43Å; D37-M80 HydrophobicContact CB-CB 4.41Å; D37-T81 VanDerWaalsContact OD2-CB 3.25Å; D37-T81 WeakPolarHBondContact OD2-CB 3.46Å; D37-T81 WeakPolarHBondContact OD2-CG2 2.96Å; D37-T81 PolarHBondContact OD2-N 2.99Å; D37-T81 PolarHBondContact OD2-OG1 2.79Å; D37-C86 PolarHBondContact OD2-SG 3.26Å; D37-C86 VanDerWaalsContact OD2-SG 3.33Å | ||
| 38 | P | 96 | Very high | 89.4 | Confident | 70 Ų | 70 | 37.7 Ų | 37.7 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.2 | -37.8 | -178.3 | -28.2 | 36.4 | 0 | 0 | 0 | 113.8 | K42 F65 | P38-K42 WeakPolarHBondContact O-CG 3.48Å; P38-K42 PolarHBondContact O-N 3.12Å; P38-F65 HydrophobicContact CG-CD2 4.05Å; P38-F65 HydrophobicContact CG-CE2 3.81Å |
| 39 | F | 95.8 | Very high | 90.8 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 13% | 0.127 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70.7 | -49.9 | 179.3 | 172.6 | -93.5 | 0 | 0 | 0 | 111.1 | D37 T41 K42 L43 T81 T108 L138 | D37-F39 VanDerWaalsContact C-N 3.28Å; D37-F39 PolarHBondContact O-N 2.92Å; D37-F39 PolarHBondContact OD1-N 2.84Å; F39-T41 PolarHBondContact O-N 3.5Å; F39-K42 PolarHBondContact O-N 2.91Å; F39-K42 VanDerWaalsContact O-N 3.13Å; F39-L43 HydrophobicContact CE1-CD2 4.08Å; F39-L43 PolarHBondContact O-N 3.44Å; F39-T81 HydrophobicContact CB-CG2 3.76Å; F39-T81 HydrophobicContact CD1-CG2 3.64Å; F39-T81 HydrophobicContact CG-CG2 3.91Å; F39-T108 HydrophobicContact CD1-CG2 3.84Å; F39-T108 HydrophobicContact CE1-CG2 3.77Å; F39-L138 HydrophobicContact CD2-CD2 4.37Å; F39-L138 HydrophobicContact CE2-CD2 3.87Å; F39-L138 HydrophobicContact CE2-CG 4.21Å; F39-L138 HydrophobicContact CZ-CD2 4.22Å |
| 40 | T | 96.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.4 | -25.9 | 179.8 | 60.2 | 0 | 0 | 0 | 0 | 112.6 | L36 D37 L43 L44 F79 T108 | L36-T40 WeakPolarHBondContact CA-OG1 3.29Å; L36-T40 WeakPolarHBondContact CB-OG1 3.46Å; D37-T40 PolarHBondContact N-OG1 3.5Å; D37-T40 PolarHBondContact O-N 3.2Å; D37-T40 PolarHBondContact O-OG1 3.04Å; D37-T40 WeakPolarHBondContact OD1-CB 3.47Å; D37-T40 WeakPolarHBondContact OD1-CG2 3.47Å; D37-T40 PolarHBondContact OD1-N 3.37Å; D37-T40 PolarHBondContact OD1-OG1 3.46Å; T40-L43 PolarHBondContact O-N 3.44Å; T40-L44 WeakPolarHBondContact O-CB 3.47Å; T40-L44 PolarHBondContact O-N 3.05Å; T40-F79 WeakPolarHBondContact CB-O 3.23Å; T40-F79 HydrophobicContact CG2-CD1 3.87Å; T40-F79 HydrophobicContact CG2-CD2 3.89Å; T40-F79 HydrophobicContact CG2-CE1 3.91Å; T40-F79 HydrophobicContact CG2-CE2 3.9Å; T40-F79 HydrophobicContact CG2-CG 3.87Å; T40-F79 HydrophobicContact CG2-CZ 3.93Å; T40-F79 WeakPolarHBondContact CG2-O 3.05Å; T40-F79 PolarHBondContact OG1-O 2.73Å; T40-T108 HydrophobicContact CG2-CG2 3.29Å |
| 41 | T | 96.1 | Very high | 92.6 | Very high | 60 Ų | 60 | 37.5 Ų | 37.5 | 37% | 0.368 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.5 | -50.3 | 168.8 | -59.5 | 0 | 0 | 0 | 0 | 110.9 | L36 D37 F39 S45 | L36-T41 WeakPolarHBondContact CB-OG1 3.33Å; D37-T41 VanDerWaalsContact O-CB 3.25Å; D37-T41 WeakPolarHBondContact O-CB 3.29Å; D37-T41 PolarHBondContact O-N 3.37Å; D37-T41 PolarHBondContact O-OG1 3.08Å; F39-T41 PolarHBondContact O-N 3.5Å; T41-S45 WeakPolarHBondContact O-CB 3.37Å; T41-S45 PolarHBondContact O-N 3.34Å; T41-S45 PolarHBondContact O-OG 3.47Å |
| 42 | K | 94.9 | Very high | 92.9 | Very high | 94 Ų | 94 | 34.3 Ų | 34.3 | 41% | 0.409 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.5 | -71.4 | -179 | -179.7 | -175.6 | 0 | 112 | P38 F39 S45 S46 L138 D148 | P38-K42 WeakPolarHBondContact O-CG 3.48Å; P38-K42 PolarHBondContact O-N 3.12Å; F39-K42 PolarHBondContact O-N 2.91Å; F39-K42 VanDerWaalsContact O-N 3.13Å; K42-S45 WeakPolarHBondContact CA-OG 3.4Å; K42-S45 PolarHBondContact O-N 3.19Å; K42-S45 PolarHBondContact O-OG 3.45Å; K42-S46 WeakPolarHBondContact O-CB 3.33Å; K42-S46 PolarHBondContact O-N 2.87Å; K42-L138 HydrophobicContact CB-CD1 4.09Å; K42-L138 HydrophobicContact CB-CD2 4.08Å; K42-L138 HydrophobicContact CD-CD1 4.16Å; K42-D148 VanDerWaalsContact CD-OD2 3.31Å; K42-D148 WeakPolarHBondContact CD-OD2 3.32Å; K42-D148 VanDerWaalsContact NZ-CG 3.29Å; K42-D148 IonicContact NZ-OD1 3.96Å; K42-D148 PolarHBondContact NZ-OD1 2.84Å; K42-D148 VanDerWaalsContact NZ-OD1 3.08Å; K42-D148 IonicContact NZ-OD2 3.89Å; K42-D148 PolarHBondContact NZ-OD2 2.77Å |
| 43 | L | 95.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.2 | -50.4 | 178.8 | 179.1 | 57.9 | 0 | 0 | 0 | 111 | V13 I17 F39 T40 S46 C47 F79 I135 F137 L138 P139 | V13-L43 HydrophobicContact CG1-CD1 3.8Å; V13-L43 HydrophobicContact CG1-CG 4.5Å; I17-L43 HydrophobicContact CD1-CG 4.48Å; F39-L43 HydrophobicContact CE1-CD2 4.08Å; F39-L43 PolarHBondContact O-N 3.44Å; T40-L43 PolarHBondContact O-N 3.44Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 3.41Å; L43-C47 PolarHBondContact O-SG 3.25Å; L43-C47 VanDerWaalsContact O-SG 3.37Å; L43-F79 HydrophobicContact CD2-CE1 3.95Å; L43-F79 HydrophobicContact CD2-CZ 3.66Å; L43-I135 HydrophobicContact CD1-CG2 4.05Å; L43-I135 HydrophobicContact CD2-CB 4.41Å; L43-I135 HydrophobicContact CD2-CG2 3.75Å; L43-F137 WeakPolarHBondContact CD1-O 3.36Å; L43-L138 HydrophobicContact CB-CD2 3.87Å; L43-L138 HydrophobicContact CD1-CD2 4.22Å; L43-P139 HydrophobicContact CD1-CG 4.48Å |
| 44 | L | 93.9 | Very high | 92.8 | Very high | 7 Ų | 7 | 39.1 Ų | 39.1 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -42.2 | 178.7 | -81.1 | 170.6 | 0 | 0 | 0 | 112.3 | W14 I17 L34 L36 T40 S46 C47 C48 F79 | W14-L44 HydrophobicContact CE3-CD2 4.44Å; W14-L44 HydrophobicContact CZ3-CD2 4.04Å; I17-L44 HydrophobicContact CD1-CD2 3.93Å; I17-L44 HydrophobicContact CG2-CD2 4.08Å; L34-L44 HydrophobicContact CD2-CD1 3.7Å; L36-L44 HydrophobicContact CD1-CB 4.47Å; L36-L44 HydrophobicContact CD1-CD1 3.49Å; L36-L44 VanDerWaalsContact CD1-CD1 3.49Å; L36-L44 HydrophobicContact CD2-CD1 3.5Å; L36-L44 HydrophobicContact CG-CD1 4.14Å; T40-L44 WeakPolarHBondContact O-CB 3.47Å; T40-L44 PolarHBondContact O-N 3.05Å; L44-S46 PolarHBondContact O-N 3.02Å; L44-C47 PolarHBondContact O-N 3.01Å; L44-C47 VanDerWaalsContact O-N 3.15Å; L44-C48 PolarHBondContact O-N 3.26Å; L44-C48 PolarHBondContact O-SG 2.99Å; L44-F79 HydrophobicContact CD1-CD1 3.97Å; L44-F79 HydrophobicContact CD1-CE1 4.43Å; L44-F79 HydrophobicContact CG-CD1 4.3Å; L44-F79 HydrophobicContact CG-CE1 4.27Å |
| 45 | S | 92 | Very high | 92.4 | Very high | 86 Ų | 86 | 45.9 Ų | 45.9 | 60% | 0.601 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.4 | -25.4 | 177.8 | 70 | 0 | 0 | 0 | 0 | 112.9 | T41 K42 | T41-S45 WeakPolarHBondContact O-CB 3.37Å; T41-S45 PolarHBondContact O-N 3.34Å; T41-S45 PolarHBondContact O-OG 3.47Å; K42-S45 WeakPolarHBondContact CA-OG 3.4Å; K42-S45 PolarHBondContact O-N 3.19Å; K42-S45 PolarHBondContact O-OG 3.45Å |
| 46 | S | 90.6 | Very high | 91.9 | Very high | 25 Ų | 25 | 47.3 Ų | 47.3 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -73.8 | -26.5 | 176.7 | 76.7 | 0 | 0 | 0 | 0 | 113.9 | K10 K42 L43 L44 P139 | K10-S46 WeakPolarHBondContact CD-O 3.34Å; K10-S46 VanDerWaalsContact CE-O 3.3Å; K10-S46 WeakPolarHBondContact CE-O 3.48Å; K42-S46 WeakPolarHBondContact O-CB 3.33Å; K42-S46 PolarHBondContact O-N 2.87Å; L43-S46 PolarHBondContact O-N 2.86Å; L43-S46 PolarHBondContact O-OG 3.41Å; L44-S46 PolarHBondContact O-N 3.02Å; S46-P139 WeakPolarHBondContact OG-CD 3.41Å; S46-P139 WeakPolarHBondContact OG-CG 3.38Å |
| 47 | C | 90.4 | Very high | 91.3 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 12% | 0.122 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -123.9 | -9.5 | -169.6 | 71.3 | 0 | 0 | 0 | 0 | 115.6 | K10 V13 W14 L43 L44 P139 | K10-C47 HydrophobicContact CB-CB 4.33Å; K10-C47 WeakPolarHBondContact O-CB 3.42Å; V13-C47 HydrophobicContact CG1-CB 4.34Å; W14-C47 HydrophobicContact CB-CB 4.11Å; L43-C47 PolarHBondContact O-SG 3.25Å; L43-C47 VanDerWaalsContact O-SG 3.37Å; L44-C47 PolarHBondContact O-N 3.01Å; L44-C47 VanDerWaalsContact O-N 3.15Å; C47-P139 HydrophobicContact CB-CG 4.44Å |
| 48 | C | 88.4 | Confident | 91 | Very high | 14 Ų | 14 | 52.7 Ų | 52.7 | 10% | 0.095 | 27% | 0.274 | C | S | . | . | trans | -146.4 | 155.5 | 178.8 | 73.4 | 0 | 0 | 0 | 0 | 112.8 | W14 L44 D52 | W14-C48 HydrophobicContact CD2-CB 3.74Å; W14-C48 HydrophobicContact CE3-CB 3.5Å; W14-C48 VanDerWaalsContact CE3-CB 3.5Å; W14-C48 HydrophobicContact CG-CB 4.5Å; W14-C48 HydrophobicContact CH2-CB 3.84Å; W14-C48 HydrophobicContact CZ2-CB 4.05Å; W14-C48 HydrophobicContact CZ3-CB 3.55Å; L44-C48 PolarHBondContact O-N 3.26Å; L44-C48 PolarHBondContact O-SG 2.99Å; C48-D52 HydrophobicContact CB-CB 4.44Å | ||
| 49 | K | 88.7 | Confident | 90.6 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 39% | 0.387 | 27% | 0.269 | S | S | . | . | trans | -98.6 | 162.9 | 173.1 | -67.9 | 172.7 | -177.3 | 155.5 | 0 | 111.1 | S51 D52 L53 D281 | K49-S51 WeakPolarHBondContact CB-OG 3.5Å; K49-S51 PolarHBondContact O-N 3.12Å; K49-D52 PolarHBondContact N-OD2 3.48Å; K49-D52 WeakPolarHBondContact O-CB 3.39Å; K49-D52 PolarHBondContact O-N 3.21Å; K49-L53 PolarHBondContact O-N 3.17Å; K49-D281 WeakPolarHBondContact CE-OD1 3.39Å; K49-D281 WeakPolarHBondContact CE-OD2 3.26Å; K49-D281 IonicContact NZ-OD1 3.36Å; K49-D281 PolarHBondContact NZ-OD1 2.79Å; K49-D281 IonicContact NZ-OD2 2.67Å | ||
| 50 | M | 87.6 | Confident | 90.4 | Very high | 105 Ų | 105 | 54.5 Ų | 54.5 | 52% | 0.517 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.4 | -34.3 | 172.3 | -168.3 | 59.4 | 67.2 | 0 | 0 | 112.1 | D52 L53 M54 V61 | M50-D52 VanDerWaalsContact C-N 3.3Å; M50-D52 PolarHBondContact O-N 3.17Å; M50-L53 PolarHBondContact O-N 3.22Å; M50-L53 HydrophobicContact SD-CD1 4.29Å; M50-M54 HydrophobicContact CG-SD 4.48Å; M50-M54 VanDerWaalsContact O-CG 3.29Å; M50-M54 WeakPolarHBondContact O-CG 3.34Å; M50-M54 PolarHBondContact O-N 3.38Å; M50-V61 HydrophobicContact CE-CB 4.34Å; M50-V61 HydrophobicContact CE-CG2 3.88Å; M50-V61 HydrophobicContact SD-CG2 4.08Å |
| 51 | S | 89.1 | Confident | 90.3 | Very high | 59 Ų | 59 | 56.8 Ų | 56.8 | 41% | 0.413 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.1 | -44.1 | 173.3 | 50.3 | 0 | 0 | 0 | 0 | 112.1 | K49 L53 M54 E55 | K49-S51 WeakPolarHBondContact CB-OG 3.5Å; K49-S51 PolarHBondContact O-N 3.12Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 3.43Å; S51-M54 PolarHBondContact O-N 3.12Å; S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 3.25Å |
| 52 | D | 88.9 | Confident | 90.3 | Very high | 43 Ų | 43 | 56.2 Ų | 56.2 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -69.5 | -35.9 | -175.8 | -46.3 | -22.2 | 0 | 0 | 0 | 110.4 | W14 C48 K49 M50 E56 | W14-D52 HydrophobicContact CZ2-CB 3.96Å; C48-D52 HydrophobicContact CB-CB 4.44Å; K49-D52 PolarHBondContact N-OD2 3.48Å; K49-D52 WeakPolarHBondContact O-CB 3.39Å; K49-D52 PolarHBondContact O-N 3.21Å; M50-D52 VanDerWaalsContact C-N 3.3Å; M50-D52 PolarHBondContact O-N 3.17Å; D52-E56 WeakPolarHBondContact O-CG 3.36Å; D52-E56 PolarHBondContact O-N 3.25Å |
| 53 | L | 89.7 | Confident | 90.3 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 173.6 | -65.6 | 173.6 | 0 | 0 | 0 | 112.1 | W14 L34 K49 M50 S51 E56 R57 I58 V61 | W14-L53 HydrophobicContact CH2-CD2 3.83Å; W14-L53 HydrophobicContact CZ3-CD2 4.12Å; L34-L53 HydrophobicContact CD2-CD2 4.34Å; K49-L53 PolarHBondContact O-N 3.17Å; M50-L53 PolarHBondContact O-N 3.22Å; M50-L53 HydrophobicContact SD-CD1 4.29Å; S51-L53 VanDerWaalsContact C-N 3.33Å; S51-L53 PolarHBondContact O-N 3.43Å; L53-E56 CarbonylContact O-C 3.5Å; L53-E56 PolarHBondContact O-N 2.94Å; L53-E56 VanDerWaalsContact O-N 3.13Å; L53-R57 PolarHBondContact O-N 3.16Å; L53-I58 HydrophobicContact CB-CB 4.21Å; L53-I58 HydrophobicContact CB-CD1 4.38Å; L53-I58 HydrophobicContact CD2-CD1 3.74Å; L53-I58 WeakPolarHBondContact O-CB 3.33Å; L53-I58 PolarHBondContact O-N 2.92Å; L53-V61 HydrophobicContact CD1-CG2 3.93Å |
| 54 | M | 87.7 | Confident | 90.4 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 50% | 0.498 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -64.9 | -38.7 | 177.5 | -71.6 | -178.2 | 78.8 | 0 | 0 | 112.1 | M50 S51 E56 R57 | M50-M54 HydrophobicContact CG-SD 4.48Å; M50-M54 VanDerWaalsContact O-CG 3.29Å; M50-M54 WeakPolarHBondContact O-CG 3.34Å; M50-M54 PolarHBondContact O-N 3.38Å; S51-M54 PolarHBondContact O-N 3.12Å; M54-E56 PolarHBondContact O-N 3.26Å; M54-R57 PolarHBondContact O-N 3.16Å |
| 55 | E | 87.4 | Confident | 90.5 | Very high | 146 Ų | 146 | 57.1 Ų | 57.1 | 68% | 0.682 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59 | -31.3 | 172.9 | -74.1 | 177.3 | -171.5 | 0 | 0 | 112.2 | S51 R57 | S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 3.25Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 3.2Å |
| 56 | E | 85.5 | Confident | 90.7 | Very high | 29 Ų | 29 | 59.6 Ų | 59.6 | 14% | 0.136 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | 16.2 | 176.3 | -63.9 | -54.9 | 152.8 | 0 | 0 | 114 | K18 I22 D52 L53 M54 I58 | K18-E56 WeakPolarHBondContact CE-OE1 3.35Å; K18-E56 IonicContact NZ-OE1 2.8Å; K18-E56 PolarHBondContact NZ-OE1 2.91Å; I22-E56 HydrophobicContact CG2-CB 3.65Å; I22-E56 HydrophobicContact CG2-CG 3.87Å; I22-E56 VanDerWaalsContact CG2-OE2 3.28Å; I22-E56 WeakPolarHBondContact CG2-OE2 3.45Å; D52-E56 WeakPolarHBondContact O-CG 3.36Å; D52-E56 PolarHBondContact O-N 3.25Å; L53-E56 CarbonylContact O-C 3.5Å; L53-E56 PolarHBondContact O-N 2.94Å; L53-E56 VanDerWaalsContact O-N 3.13Å; M54-E56 PolarHBondContact O-N 3.26Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.37Å |
| 57 | R | 86.2 | Confident | 90.7 | Very high | 121 Ų | 121 | 64.4 Ų | 64.4 | 46% | 0.457 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 32.6 | 178.5 | -52.7 | -167.3 | -176.9 | -169.1 | 2.7 | 114.9 | E29 W31 K32 L53 M54 E55 | E29-R57 PolarHBondContact O-NH1 3.48Å; W31-R57 HydrophobicContact CD2-CB 4.38Å; W31-R57 VanDerWaalsContact CE3-C 3.45Å; W31-R57 HydrophobicContact CE3-CB 3.96Å; W31-R57 HydrophobicContact CZ3-CB 4.22Å; K32-R57 PolarHBondContact N-O 3.25Å; K32-R57 VanDerWaalsContact N-O 3.12Å; L53-R57 PolarHBondContact O-N 3.16Å; M54-R57 PolarHBondContact O-N 3.16Å; E55-R57 VanDerWaalsContact C-N 3.28Å; E55-R57 PolarHBondContact O-N 3.2Å |
| 58 | I | 89.6 | Confident | 90.9 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 117.4 | 165.7 | -63.6 | 165.1 | 0 | 0 | 0 | 107.8 | I22 L34 L53 E56 V61 | I22-I58 HydrophobicContact CD1-CD1 3.53Å; L34-I58 HydrophobicContact CB-CG2 3.66Å; L34-I58 HydrophobicContact CD2-CD1 4.19Å; L34-I58 HydrophobicContact CD2-CG2 4.47Å; L53-I58 HydrophobicContact CB-CB 4.21Å; L53-I58 HydrophobicContact CB-CD1 4.38Å; L53-I58 HydrophobicContact CD2-CD1 3.74Å; L53-I58 WeakPolarHBondContact O-CB 3.33Å; L53-I58 PolarHBondContact O-N 2.92Å; E56-I58 VanDerWaalsContact C-N 3.34Å; E56-I58 PolarHBondContact O-N 3.37Å; I58-V61 HydrophobicContact CG2-CG2 4.24Å |
| 59 | T | 87.6 | Confident | 91 | Very high | 57 Ų | 57 | 71.2 Ų | 71.2 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | -39.2 | -176.4 | 14.4 | 0 | 0 | 0 | 0 | 112.6 | W31 K32 | W31-T59 HydrophobicContact CB-CG2 4.26Å; W31-T59 HydrophobicContact CD2-CG2 3.69Å; W31-T59 HydrophobicContact CE3-CG2 3.34Å; W31-T59 HydrophobicContact CG-CG2 4.1Å; W31-T59 HydrophobicContact CZ3-CG2 3.87Å; K32-T59 PolarHBondContact O-N 3.1Å; K32-T59 VanDerWaalsContact O-N 3.12Å; K32-T59 PolarHBondContact O-OG1 3.33Å |
| 60 | I | 91.3 | Very high | 91.2 | Very high | 79 Ų | 79 | 71.4 Ų | 71.4 | 41% | 0.405 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 135.9 | -172.6 | -60.5 | 170.8 | 0 | 0 | 0 | 108.4 | L34 E62 | L34-I60 PolarHBondContact N-O 3.41Å; I60-E62 HydrophobicContact CG2-CG 3.55Å |
| 61 | V | 94.6 | Very high | 91.4 | Very high | 48 Ų | 48 | 68.6 Ų | 68.6 | 29% | 0.291 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 122.4 | 168.8 | -175.1 | 0 | 0 | 0 | 0 | 108.1 | L34 L36 M50 L53 I58 | L34-V61 HydrophobicContact CB-CG2 4.37Å; L34-V61 HydrophobicContact CD2-CG1 4.48Å; L34-V61 HydrophobicContact CD2-CG2 4.24Å; L34-V61 CarbonylContact O-C 3.52Å; L34-V61 VanDerWaalsContact O-CA 3.28Å; L34-V61 WeakPolarHBondContact O-CA 3.4Å; L36-V61 HydrophobicContact CD1-CG1 3.48Å; L36-V61 VanDerWaalsContact CD1-CG1 3.48Å; L36-V61 HydrophobicContact CG-CG1 4.03Å; M50-V61 HydrophobicContact CE-CB 4.34Å; M50-V61 HydrophobicContact CE-CG2 3.88Å; M50-V61 HydrophobicContact SD-CG2 4.08Å; L53-V61 HydrophobicContact CD1-CG2 3.93Å; I58-V61 HydrophobicContact CG2-CG2 4.24Å |
| 62 | E | 95.8 | Very high | 91.5 | Very high | 49 Ų | 49 | 71 Ų | 71 | 23% | 0.229 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 155.9 | -179.2 | -56.2 | -163.3 | 125.8 | 0 | 0 | 112.4 | I33 L34 I35 L36 I60 R68 Y100 | I33-E62 HydrophobicContact CG2-CG 4.21Å; L34-E62 PolarHBondContact O-N 2.92Å; I35-E62 WeakPolarHBondContact CA-O 3.25Å; L36-E62 PolarHBondContact N-O 2.63Å; I60-E62 HydrophobicContact CG2-CG 3.55Å; E62-R68 HydrophobicContact CB-CG 4.13Å; E62-R68 HydrophobicContact CG-CG 4.48Å; E62-R68 WeakPolarHBondContact OE2-CB 3.37Å; E62-R68 WeakPolarHBondContact OE2-CD 3.43Å; E62-R68 VanDerWaalsContact OE2-CG 3.26Å; E62-R68 WeakPolarHBondContact OE2-CG 3.37Å; E62-Y100 PolarHBondContact OE2-OH 2.98Å |
| 63 | D | 96.7 | Very high | 91.4 | Very high | 48 Ų | 48 | 77 Ų | 77 | 26% | 0.257 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 125.7 | 175.6 | -177.9 | -31.1 | 0 | 0 | 0 | 110.2 | F65 K66 R68 | D63-F65 PolarHBondContact O-N 3.47Å; D63-F65 PolarHBondContact OD1-N 3.31Å; D63-K66 HydrophobicContact CB-CB 4.12Å; D63-K66 HydrophobicContact CB-CD 3.88Å; D63-K66 HydrophobicContact CB-CG 3.89Å; D63-K66 PolarHBondContact O-N 3.38Å; D63-K66 WeakPolarHBondContact OD2-CE 2.88Å; D63-R68 VanDerWaalsContact O-CD 3.27Å; D63-R68 WeakPolarHBondContact O-CD 3.49Å; D63-R68 PolarHBondContact O-NE 3.43Å; D63-R68 VanDerWaalsContact O-NE 3.11Å |
| 64 | L | 96.9 | Very high | 91.4 | Very high | 3 Ų | 3 | 78.9 Ų | 78.9 | 2% | 0.016 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -34.8 | -179.9 | -179.1 | 60.6 | 0 | 0 | 0 | 113 | I35 L36 D37 R68 Y78 M80 C86 A89 | I35-L64 HydrophobicContact CG2-CB 3.89Å; I35-L64 HydrophobicContact CG2-CD1 3.8Å; I35-L64 HydrophobicContact CG2-CG 4.45Å; L36-L64 WeakPolarHBondContact O-CB 3.43Å; L36-L64 PolarHBondContact O-N 3.3Å; D37-L64 HydrophobicContact CB-CD2 4.27Å; L64-R68 PolarHBondContact O-NH2 3.16Å; L64-Y78 HydrophobicContact CD1-CD1 3.93Å; L64-Y78 HydrophobicContact CD1-CE1 3.84Å; L64-M80 HydrophobicContact CD2-CB 4.17Å; L64-M80 HydrophobicContact CD2-SD 4.01Å; L64-C86 HydrophobicContact CD2-CB 3.82Å; L64-A89 HydrophobicContact CD1-CB 4.08Å; L64-A89 HydrophobicContact CD2-CB 4.32Å; L64-A89 HydrophobicContact CG-CB 3.84Å |
| 65 | F | 96.6 | Very high | 91.6 | Very high | 69 Ų | 69 | 76.2 Ų | 76.2 | 30% | 0.303 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -10.4 | -175.2 | -58 | -48.3 | 0 | 0 | 0 | 113.9 | D37 P38 D63 K85 A89 | D37-F65 HydrophobicContact CB-CE2 4.43Å; P38-F65 HydrophobicContact CG-CD2 4.05Å; P38-F65 HydrophobicContact CG-CE2 3.81Å; D63-F65 PolarHBondContact O-N 3.47Å; D63-F65 PolarHBondContact OD1-N 3.31Å; F65-K85 HydrophobicContact CD1-CD 4.48Å; F65-K85 HydrophobicContact CD1-CG 4.38Å; F65-K85 HydrophobicContact CE1-CB 4.4Å; F65-K85 HydrophobicContact CE1-CD 3.84Å; F65-K85 HydrophobicContact CE1-CG 3.61Å; F65-K85 HydrophobicContact CE2-CD 4.28Å; F65-K85 HydrophobicContact CZ-CB 4.47Å; F65-K85 HydrophobicContact CZ-CD 3.72Å; F65-K85 HydrophobicContact CZ-CG 3.89Å; F65-A89 HydrophobicContact CD1-CB 3.98Å; F65-A89 HydrophobicContact CE1-CB 4.05Å |
| 66 | K | 94.8 | Very high | 91.9 | Very high | 138 Ų | 138 | 69.3 Ų | 69.3 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -84.9 | 153.5 | 175.7 | -69.3 | -176.9 | -174.4 | 171.5 | 0 | 111.3 | D63 R68 | D63-K66 HydrophobicContact CB-CB 4.12Å; D63-K66 HydrophobicContact CB-CD 3.88Å; D63-K66 HydrophobicContact CB-CG 3.89Å; D63-K66 PolarHBondContact O-N 3.38Å; D63-K66 WeakPolarHBondContact OD2-CE 2.88Å; K66-R68 PolarHBondContact O-NE 3.14Å; K66-R68 VanDerWaalsContact O-NE 3.14Å |
| 67 | S | 91.2 | Very high | 92.3 | Very high | 125 Ų | 125 | 68 Ų | 68 | 87% | 0.874 | 35% | 0.347 | S | S | * | . | trans | -64.4 | 133.9 | 167.5 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 68 | R | 93.8 | Very high | 92.9 | Very high | 17 Ų | 17 | 62.3 Ų | 62.3 | 6% | 0.064 | 33% | 0.325 | C | S | . | . | trans | -133.9 | 141.3 | -170.3 | -73 | 166.5 | -77.5 | 136.1 | -1.7 | 109.4 | E62 D63 L64 K66 D93 Y100 | E62-R68 HydrophobicContact CB-CG 4.13Å; E62-R68 HydrophobicContact CG-CG 4.48Å; E62-R68 WeakPolarHBondContact OE2-CB 3.37Å; E62-R68 WeakPolarHBondContact OE2-CD 3.43Å; E62-R68 VanDerWaalsContact OE2-CG 3.26Å; E62-R68 WeakPolarHBondContact OE2-CG 3.37Å; D63-R68 VanDerWaalsContact O-CD 3.27Å; D63-R68 WeakPolarHBondContact O-CD 3.49Å; D63-R68 PolarHBondContact O-NE 3.43Å; D63-R68 VanDerWaalsContact O-NE 3.11Å; L64-R68 PolarHBondContact O-NH2 3.16Å; K66-R68 PolarHBondContact O-NE 3.14Å; K66-R68 VanDerWaalsContact O-NE 3.14Å; R68-D93 IonicContact CZ-OD1 2.62Å; R68-D93 IonicContact CZ-OD2 2.66Å; R68-D93 VanDerWaalsContact CZ-OD2 3.24Å; R68-D93 IonicContact NH1-OD1 3.1Å; R68-D93 IonicContact NH1-OD2 3.72Å; R68-D93 PolarHBondContact NH1-OD2 2.91Å; R68-D93 VanDerWaalsContact NH2-CG 3.33Å; R68-D93 IonicContact NH2-OD1 2.64Å; R68-D93 PolarHBondContact NH2-OD1 2.85Å; R68-D93 IonicContact NH2-OD2 3.87Å; R68-D93 PolarHBondContact NH2-OD2 2.61Å; R68-Y100 PolarHBondContact NH1-OH 2.7Å | ||
| 69 | E | 91.2 | Very high | 93.2 | Very high | 159 Ų | 159 | 62.2 Ų | 62.2 | 74% | 0.743 | 33% | 0.325 | S | S | * | . | trans | -72.7 | 135.1 | -180 | -67 | -171.8 | 170.3 | 0 | 0 | 110.8 | V71 | E69-V71 PolarHBondContact O-N 3.43Š| ||
| 70 | P | 92.3 | Very high | 93.7 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 60% | 0.597 | 31% | 0.309 | S | S | * | . | trans | -64.9 | 125.8 | 175.6 | -22.8 | 34.2 | 0 | 0 | 0 | 112.4 | K99 | P70-K99 CarbonylContact C-O 3.59Å; P70-K99 WeakPolarHBondContact CA-O 3.2Å; P70-K99 HydrophobicContact CG-CG 4.4Å | ||
| 71 | V | 92.6 | Very high | 93.9 | Very high | 46 Ų | 46 | 56.8 Ų | 56.8 | 28% | 0.279 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 81.2 | 174.5 | -168.7 | 0 | 0 | 0 | 0 | 109.4 | I33 E69 E73 M74 K99 Y100 | I33-V71 HydrophobicContact CD1-CB 3.77Å; I33-V71 HydrophobicContact CD1-CG1 4.16Å; I33-V71 HydrophobicContact CD1-CG2 3.89Å; E69-V71 PolarHBondContact O-N 3.43Å; V71-E73 PolarHBondContact O-N 2.82Å; V71-E73 VanDerWaalsContact O-N 3.17Å; V71-M74 HydrophobicContact CB-CB 4.5Å; V71-M74 HydrophobicContact CG1-CB 3.85Å; V71-M74 HydrophobicContact CG1-CG 3.73Å; V71-M74 HydrophobicContact CG1-SD 4.07Å; V71-M74 PolarHBondContact O-N 2.86Å; V71-K99 CarbonylContact C-O 3.6Å; V71-K99 VanDerWaalsContact C-O 3.29Å; V71-K99 PolarHBondContact N-O 3.26Å; V71-Y100 HydrophobicContact CB-CD1 4.42Å |
| 72 | L | 90.5 | Very high | 94 | Very high | 109 Ų | 109 | 55.8 Ų | 55.8 | 57% | 0.571 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | -19.9 | -169 | -57 | 176.2 | 0 | 0 | 0 | 114.6 | P98 K101 | L72-P98 WeakPolarHBondContact CD2-O 3.5Å; L72-K101 WeakPolarHBondContact O-CA 3.37Å; L72-K101 VanDerWaalsContact O-CB 3.28Å; L72-K101 WeakPolarHBondContact O-CB 3.45Å; L72-K101 PolarHBondContact O-N 3.41Å |
| 73 | E | 88.6 | Confident | 94 | Very high | 169 Ų | 169 | 56.3 Ų | 56.3 | 79% | 0.79 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -25.5 | -179.5 | -60 | -173.8 | -177.6 | 0 | 0 | 112.6 | V71 | V71-E73 PolarHBondContact O-N 2.82Å; V71-E73 VanDerWaalsContact O-N 3.17Å |
| 74 | M | 89.5 | Confident | 94 | Very high | 50 Ų | 50 | 56.8 Ų | 56.8 | 25% | 0.246 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 151.7 | -174.4 | -70.9 | -165.4 | 179.3 | 0 | 0 | 112.6 | W31 I33 V71 K101 | W31-M74 HydrophobicContact CB-CE 4.35Å; I33-M74 HydrophobicContact CD1-CB 3.97Å; I33-M74 HydrophobicContact CD1-SD 4.02Å; I33-M74 HydrophobicContact CG1-CB 4.26Å; I33-M74 HydrophobicContact CG1-SD 3.86Å; V71-M74 HydrophobicContact CB-CB 4.5Å; V71-M74 HydrophobicContact CG1-CB 3.85Å; V71-M74 HydrophobicContact CG1-CG 3.73Å; V71-M74 HydrophobicContact CG1-SD 4.07Å; V71-M74 PolarHBondContact O-N 2.86Å; M74-K101 VanDerWaalsContact O-CB 3.25Å; M74-K101 WeakPolarHBondContact O-CB 3.18Å; M74-K101 PolarHBondContact O-N 2.92Å |
| 75 | K | 90.4 | Very high | 94 | Very high | 46 Ų | 46 | 63.3 Ų | 63.3 | 20% | 0.2 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 141.8 | 170.5 | -60.6 | 173.1 | 169.9 | 178 | 0 | 108.7 | S28 I33 S102 Y104 | S28-K75 PolarHBondContact OG-NZ 2.66Å; S28-K75 VanDerWaalsContact OG-NZ 3.09Å; I33-K75 PolarHBondContact N-O 3.07Å; K75-S102 WeakPolarHBondContact CG-OG 3.42Å; K75-Y104 HydrophobicContact CB-CD2 4.43Å; K75-Y104 HydrophobicContact CB-CE2 4.06Å; K75-Y104 HydrophobicContact CD-CE2 3.81Å; K75-Y104 HydrophobicContact CG-CE2 4.24Å; K75-Y104 PolarHBondContact NZ-OH 3.39Å |
| 76 | A | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | I33 I35 Y78 Y100 S102 A103 Y104 | I33-A76 CarbonylContact O-C 3.59Å; I33-A76 WeakPolarHBondContact O-CA 3.28Å; I35-A76 HydrophobicContact CD1-CB 3.71Å; A76-Y78 HydrophobicContact CB-CD2 4.26Å; A76-Y78 HydrophobicContact CB-CE2 3.69Å; A76-Y100 HydrophobicContact CB-CD1 4.03Å; A76-Y100 HydrophobicContact CB-CD2 3.62Å; A76-Y100 HydrophobicContact CB-CE2 4.15Å; A76-Y100 HydrophobicContact CB-CG 3.54Å; A76-S102 PolarHBondContact N-O 3.12Å; A76-A103 CarbonylContact O-C 3.6Å; A76-A103 WeakPolarHBondContact O-CA 3.49Å; A76-Y104 PolarHBondContact O-N 3.01Å |
| 77 | I | 95.4 | Very high | 94.1 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 118.9 | 169.9 | -61.5 | 172.5 | 0 | 0 | 0 | 106.8 | I21 C25 K32 I33 L34 I35 Y104 Y106 | I21-I77 HydrophobicContact CG2-CD1 4.44Å; I21-I77 HydrophobicContact CG2-CG2 3.65Å; C25-I77 HydrophobicContact CB-CD1 4.18Å; K32-I77 HydrophobicContact CB-CD1 4.23Å; K32-I77 HydrophobicContact CD-CD1 3.85Å; K32-I77 HydrophobicContact CD-CG1 4.39Å; I33-I77 PolarHBondContact O-N 2.92Å; L34-I77 CarbonylContact C-O 3.6Å; L34-I77 HydrophobicContact CD1-CB 3.93Å; L34-I77 HydrophobicContact CD1-CG2 3.62Å; I35-I77 PolarHBondContact N-O 2.77Å; I77-Y104 CarbonylContact C-O 3.5Å; I77-Y104 WeakPolarHBondContact CA-O 3.5Å; I77-Y106 HydrophobicContact CG2-CD2 3.89Å; I77-Y106 HydrophobicContact CG2-CE2 3.96Å |
| 78 | Y | 96.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 112 | 171.8 | -70.4 | -96.9 | 0 | 0 | 0 | 107.7 | I35 L64 A76 F90 D93 F94 Y100 A103 Y104 Y106 | I35-Y78 HydrophobicContact CB-CD1 3.9Å; I35-Y78 HydrophobicContact CB-CE1 4.08Å; I35-Y78 HydrophobicContact CB-CG 4.4Å; I35-Y78 HydrophobicContact CD1-CD1 3.97Å; I35-Y78 HydrophobicContact CD1-CD2 4.24Å; I35-Y78 HydrophobicContact CD1-CE1 3.41Å; I35-Y78 VanDerWaalsContact CD1-CE1 3.41Å; I35-Y78 HydrophobicContact CD1-CE2 3.72Å; I35-Y78 HydrophobicContact CD1-CG 4.35Å; I35-Y78 HydrophobicContact CG1-CE1 4.36Å; I35-Y78 HydrophobicContact CG2-CD1 3.8Å; I35-Y78 HydrophobicContact CG2-CE1 3.83Å; L64-Y78 HydrophobicContact CD1-CD1 3.93Å; L64-Y78 HydrophobicContact CD1-CE1 3.84Å; A76-Y78 HydrophobicContact CB-CD2 4.26Å; A76-Y78 HydrophobicContact CB-CE2 3.69Å; Y78-F90 AromaticContact CD1-CD2 3.68Å; Y78-F90 HydrophobicContact CD1-CD2 3.68Å; Y78-F90 HydrophobicContact CD1-CE2 4.38Å; Y78-F90 AromaticContact CD2-CD2 3.96Å; Y78-F90 HydrophobicContact CD2-CD2 3.96Å; Y78-F90 AromaticContact CD2-CE2 3.81Å; Y78-F90 HydrophobicContact CD2-CE2 3.81Å; Y78-F90 AromaticContact CE1-CD2 3.61Å; Y78-F90 HydrophobicContact CE1-CD2 3.61Å; Y78-F90 HydrophobicContact CE1-CE2 4.32Å; Y78-F90 AromaticContact CE2-CD2 3.89Å; Y78-F90 HydrophobicContact CE2-CD2 3.89Å; Y78-F90 AromaticContact CE2-CE2 3.74Å; Y78-F90 HydrophobicContact CE2-CE2 3.74Å; Y78-F90 AromaticContact CG-CD2 3.84Å; Y78-F90 HydrophobicContact CG-CD2 3.84Å; Y78-F90 HydrophobicContact CG-CE2 4.12Å; Y78-F90 AromaticContact CZ-CD2 3.7Å; Y78-F90 AromaticContact CZ-CE2 3.99Å; Y78-D93 WeakPolarHBondContact CE1-OD2 3.43Å; Y78-D93 WeakPolarHBondContact OH-CB 3.39Å; Y78-D93 PolarHBondContact OH-OD2 3.04Å; Y78-F94 AromaticContact CE2-CE2 3.9Å; Y78-F94 HydrophobicContact CE2-CE2 3.9Å; Y78-F94 HydrophobicContact CE2-CZ 4.08Å; Y78-F94 AromaticContact CZ-CE2 3.86Å; Y78-F94 WeakPolarHBondContact OH-CE2 3.49Å; Y78-Y100 HydrophobicContact CE2-CD2 4.48Å; Y78-Y100 VanDerWaalsContact OH-CD2 3.31Å; Y78-Y100 WeakPolarHBondContact OH-CD2 3.24Å; Y78-Y100 WeakPolarHBondContact OH-CE2 3.48Å; Y78-A103 HydrophobicContact CD2-CB 3.97Å; Y78-A103 HydrophobicContact CE2-CB 3.88Å; Y78-Y104 PolarHBondContact N-O 3.2Å; Y78-Y106 PolarHBondContact O-N 3.02Å |
| 79 | F | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 106.6 | 169.3 | 178.8 | -146.5 | 0 | 0 | 0 | 107.8 | I17 I21 L34 I35 L36 T40 L43 L44 Y106 T108 I133 | I17-F79 HydrophobicContact CD1-CE1 4.18Å; I21-F79 HydrophobicContact CD1-CB 4.26Å; I21-F79 HydrophobicContact CD1-CD1 3.95Å; I21-F79 HydrophobicContact CD1-CD2 3.94Å; I21-F79 HydrophobicContact CD1-CE1 4.23Å; I21-F79 HydrophobicContact CD1-CE2 4.25Å; I21-F79 HydrophobicContact CD1-CG 3.79Å; I21-F79 HydrophobicContact CD1-CZ 4.37Å; L34-F79 HydrophobicContact CD1-CB 4.4Å; I35-F79 PolarHBondContact O-N 2.83Å; L36-F79 HydrophobicContact CD2-CB 3.79Å; L36-F79 HydrophobicContact CD2-CD1 4.05Å; L36-F79 HydrophobicContact CD2-CG 4.37Å; T40-F79 WeakPolarHBondContact CB-O 3.23Å; T40-F79 HydrophobicContact CG2-CD1 3.87Å; T40-F79 HydrophobicContact CG2-CD2 3.89Å; T40-F79 HydrophobicContact CG2-CE1 3.91Å; T40-F79 HydrophobicContact CG2-CE2 3.9Å; T40-F79 HydrophobicContact CG2-CG 3.87Å; T40-F79 HydrophobicContact CG2-CZ 3.93Å; T40-F79 WeakPolarHBondContact CG2-O 3.05Å; T40-F79 PolarHBondContact OG1-O 2.73Å; L43-F79 HydrophobicContact CD2-CE1 3.95Å; L43-F79 HydrophobicContact CD2-CZ 3.66Å; L44-F79 HydrophobicContact CD1-CD1 3.97Å; L44-F79 HydrophobicContact CD1-CE1 4.43Å; L44-F79 HydrophobicContact CG-CD1 4.3Å; L44-F79 HydrophobicContact CG-CE1 4.27Å; F79-Y106 WeakPolarHBondContact CA-O 2.99Å; F79-T108 HydrophobicContact CD2-CG2 4.35Å; F79-T108 HydrophobicContact CE2-CG2 3.65Å; F79-T108 HydrophobicContact CZ-CG2 4.1Å; F79-I133 HydrophobicContact CD2-CD1 3.99Å; F79-I133 HydrophobicContact CE2-CD1 3.67Å; F79-I133 HydrophobicContact CZ-CD1 4.3Å |
| 80 | M | 97.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 160.4 | -166.4 | 63.5 | -174.5 | -178.9 | 0 | 0 | 112.8 | D37 L64 C86 F90 V105 Y106 F107 T108 M119 | D37-M80 HydrophobicContact CB-CB 4.41Å; L64-M80 HydrophobicContact CD2-CB 4.17Å; L64-M80 HydrophobicContact CD2-SD 4.01Å; M80-C86 HydrophobicContact CB-CB 4.29Å; M80-C86 HydrophobicContact CG-CB 4.42Å; M80-C86 HydrophobicContact SD-CB 4.12Å; M80-F90 HydrophobicContact CE-CB 3.99Å; M80-F90 HydrophobicContact CE-CD1 4.29Å; M80-F90 HydrophobicContact CE-CG 4.02Å; M80-F90 HydrophobicContact SD-CB 4.11Å; M80-V105 HydrophobicContact CE-CG1 3.5Å; M80-Y106 PolarHBondContact N-O 3.49Å; M80-F107 HydrophobicContact CE-CD1 4.4Å; M80-F107 HydrophobicContact CE-CE1 3.41Å; M80-F107 VanDerWaalsContact CE-CE1 3.41Å; M80-F107 HydrophobicContact CE-CZ 3.47Å; M80-F107 VanDerWaalsContact CE-CZ 3.47Å; M80-F107 HydrophobicContact CG-CD1 4.13Å; M80-F107 HydrophobicContact CG-CE1 3.91Å; M80-F107 WeakPolarHBondContact O-CA 3.38Å; M80-F107 HydrophobicContact SD-CE1 4.37Å; M80-T108 PolarHBondContact O-N 3.27Å; M80-T108 VanDerWaalsContact O-N 3.13Å; M80-M119 HydrophobicContact CE-SD 4.38Å |
| 81 | T | 96.4 | Very high | 94.8 | Very high | 21 Ų | 21 | 39.1 Ų | 39.1 | 13% | 0.129 | 21% | 0.207 | C | C | . | . | trans | -74.3 | 149.1 | 171.8 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | D37 F39 T83 C86 T108 | D37-T81 VanDerWaalsContact OD2-CB 3.25Å; D37-T81 WeakPolarHBondContact OD2-CB 3.46Å; D37-T81 WeakPolarHBondContact OD2-CG2 2.96Å; D37-T81 PolarHBondContact OD2-N 2.99Å; D37-T81 PolarHBondContact OD2-OG1 2.79Å; F39-T81 HydrophobicContact CB-CG2 3.76Å; F39-T81 HydrophobicContact CD1-CG2 3.64Å; F39-T81 HydrophobicContact CG-CG2 3.91Å; T81-T83 PolarHBondContact O-N 2.97Å; T81-T83 PolarHBondContact OG1-OG1 3.06Å; T81-C86 VanDerWaalsContact O-CB 3.28Å; T81-C86 WeakPolarHBondContact O-CB 3.5Å; T81-C86 PolarHBondContact OG1-SG 3.18Å; T81-C86 VanDerWaalsContact OG1-SG 3.42Å; T81-T108 WeakPolarHBondContact CA-OG1 3.41Å; T81-T108 HydrophobicContact CG2-CG2 4.15Å | ||
| 82 | P | 95.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 39.9 Ų | 39.9 | 17% | 0.169 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -78.2 | 57.6 | 178.3 | 33 | -35.9 | 0 | 0 | 0 | 112.1 | F107 T108 D109 Y110 C111 L115 | P82-F107 HydrophobicContact CB-CD1 3.78Å; P82-F107 HydrophobicContact CB-CE1 4.27Å; P82-F107 HydrophobicContact CB-CG 4.28Å; P82-T108 WeakPolarHBondContact CD-OG1 3.4Å; P82-D109 HydrophobicContact CG-CB 4.18Å; P82-Y110 WeakPolarHBondContact CG-O 3.36Å; P82-C111 HydrophobicContact CB-CB 4.17Å; P82-L115 VanDerWaalsContact O-CD1 3.25Å; P82-L115 WeakPolarHBondContact O-CD1 3.32Å |
| 83 | T | 95.8 | Very high | 95.2 | Very high | 60 Ų | 60 | 34.9 Ų | 34.9 | 37% | 0.368 | 19% | 0.191 | S | C | . | . | trans | -106.2 | 151.4 | 178.2 | 60.2 | 0 | 0 | 0 | 0 | 111.4 | T81 K85 C86 V87 | T81-T83 PolarHBondContact O-N 2.97Å; T81-T83 PolarHBondContact OG1-OG1 3.06Å; T83-K85 PolarHBondContact O-N 3.34Å; T83-C86 PolarHBondContact O-N 3.42Å; T83-C86 VanDerWaalsContact O-N 3.11Å; T83-C86 WeakPolarHBondContact OG1-CB 3.36Å; T83-C86 PolarHBondContact OG1-N 3.41Å; T83-C86 PolarHBondContact OG1-SG 3.47Å; T83-V87 WeakPolarHBondContact O-CG2 3.44Å; T83-V87 PolarHBondContact O-N 3.19Å | ||
| 84 | S | 96.4 | Very high | 95.4 | Very high | 58 Ų | 58 | 27.2 Ų | 27.2 | 41% | 0.406 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -55.2 | -40.3 | 176.4 | -168.7 | 0 | 0 | 0 | 0 | 111.5 | C86 V87 D88 | S84-C86 PolarHBondContact O-N 2.85Å; S84-V87 PolarHBondContact O-N 2.91Å; S84-D88 VanDerWaalsContact O-CB 3.26Å; S84-D88 WeakPolarHBondContact O-CB 3.35Å; S84-D88 PolarHBondContact O-N 2.89Å; S84-D88 PolarHBondContact OG-OD2 3.49Å |
| 85 | K | 97.1 | Very high | 95.2 | Very high | 140 Ų | 140 | 32.7 Ų | 32.7 | 61% | 0.609 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -60.5 | -44.6 | 178.5 | -167.2 | -173 | 174 | -179.4 | 0 | 112.1 | F65 T83 A89 | F65-K85 HydrophobicContact CD1-CD 4.48Å; F65-K85 HydrophobicContact CD1-CG 4.38Å; F65-K85 HydrophobicContact CE1-CB 4.4Å; F65-K85 HydrophobicContact CE1-CD 3.84Å; F65-K85 HydrophobicContact CE1-CG 3.61Å; F65-K85 HydrophobicContact CE2-CD 4.28Å; F65-K85 HydrophobicContact CZ-CB 4.47Å; F65-K85 HydrophobicContact CZ-CD 3.72Å; F65-K85 HydrophobicContact CZ-CG 3.89Å; T83-K85 PolarHBondContact O-N 3.34Å; K85-A89 WeakPolarHBondContact O-CB 3.44Å; K85-A89 PolarHBondContact O-N 3.3Å; K85-A89 VanDerWaalsContact O-N 3.07Å |
| 86 | C | 97.1 | Very high | 94.8 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.007 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.4 | -45 | 178.1 | -69.6 | 0 | 0 | 0 | 0 | 111.6 | D37 L64 M80 T81 T83 S84 D88 A89 F90 | D37-C86 PolarHBondContact OD2-SG 3.26Å; D37-C86 VanDerWaalsContact OD2-SG 3.33Å; L64-C86 HydrophobicContact CD2-CB 3.82Å; M80-C86 HydrophobicContact CB-CB 4.29Å; M80-C86 HydrophobicContact CG-CB 4.42Å; M80-C86 HydrophobicContact SD-CB 4.12Å; T81-C86 VanDerWaalsContact O-CB 3.28Å; T81-C86 WeakPolarHBondContact O-CB 3.5Å; T81-C86 PolarHBondContact OG1-SG 3.18Å; T81-C86 VanDerWaalsContact OG1-SG 3.42Å; T83-C86 PolarHBondContact O-N 3.42Å; T83-C86 VanDerWaalsContact O-N 3.11Å; T83-C86 WeakPolarHBondContact OG1-CB 3.36Å; T83-C86 PolarHBondContact OG1-N 3.41Å; T83-C86 PolarHBondContact OG1-SG 3.47Å; S84-C86 PolarHBondContact O-N 2.85Å; C86-D88 VanDerWaalsContact C-N 3.34Å; C86-D88 PolarHBondContact O-N 2.97Å; C86-A89 PolarHBondContact O-N 2.63Å; C86-F90 WeakPolarHBondContact O-CB 3.42Å; C86-F90 PolarHBondContact O-N 3.44Å |
| 87 | V | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 178.8 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | T83 S84 F90 I91 F107 L115 K118 M119 | T83-V87 WeakPolarHBondContact O-CG2 3.44Å; T83-V87 PolarHBondContact O-N 3.19Å; S84-V87 PolarHBondContact O-N 2.91Å; V87-F90 PolarHBondContact O-N 2.94Å; V87-I91 HydrophobicContact CG1-CD1 3.78Å; V87-I91 HydrophobicContact CG1-CG1 4.48Å; V87-I91 VanDerWaalsContact O-CG1 3.24Å; V87-I91 WeakPolarHBondContact O-CG1 3.36Å; V87-I91 PolarHBondContact O-N 3.2Å; V87-F107 HydrophobicContact CG2-CE1 4.25Å; V87-F107 HydrophobicContact CG2-CZ 4.28Å; V87-L115 HydrophobicContact CG2-CB 4.25Å; V87-L115 HydrophobicContact CG2-CD1 4.36Å; V87-K118 HydrophobicContact CG1-CD 4.47Å; V87-M119 HydrophobicContact CB-CG 4.48Å; V87-M119 HydrophobicContact CG1-CG 3.47Å; V87-M119 VanDerWaalsContact CG1-CG 3.47Å; V87-M119 HydrophobicContact CG1-SD 4.15Å; V87-M119 HydrophobicContact CG2-CE 4.47Å; V87-M119 HydrophobicContact CG2-CG 4.43Å; V87-M119 HydrophobicContact CG2-SD 4.04Å |
| 88 | D | 96.2 | Very high | 94.2 | Very high | 61 Ų | 61 | 46.1 Ų | 46.1 | 33% | 0.326 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.6 | -71.4 | -33.3 | 0 | 0 | 0 | 112.2 | S84 C86 F90 I91 A92 K118 | S84-D88 VanDerWaalsContact O-CB 3.26Å; S84-D88 WeakPolarHBondContact O-CB 3.35Å; S84-D88 PolarHBondContact O-N 2.89Å; S84-D88 PolarHBondContact OG-OD2 3.49Å; C86-D88 VanDerWaalsContact C-N 3.34Å; C86-D88 PolarHBondContact O-N 2.97Å; D88-F90 VanDerWaalsContact C-N 3.34Å; D88-I91 PolarHBondContact O-N 3.49Å; D88-A92 WeakPolarHBondContact O-CB 3.03Å; D88-A92 PolarHBondContact O-N 2.84Å; D88-K118 VanDerWaalsContact CG-NZ 3.31Å; D88-K118 WeakPolarHBondContact OD1-CE 3.29Å; D88-K118 IonicContact OD1-NZ 3.04Å; D88-K118 PolarHBondContact OD1-NZ 3.37Å; D88-K118 IonicContact OD2-NZ 3.16Å; D88-K118 PolarHBondContact OD2-NZ 2.87Å |
| 89 | A | 96.3 | Very high | 94.1 | Very high | 20 Ų | 20 | 47.9 Ų | 47.9 | 17% | 0.165 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.9 | -40.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L64 F65 K85 C86 A92 D93 | L64-A89 HydrophobicContact CD1-CB 4.08Å; L64-A89 HydrophobicContact CD2-CB 4.32Å; L64-A89 HydrophobicContact CG-CB 3.84Å; F65-A89 HydrophobicContact CD1-CB 3.98Å; F65-A89 HydrophobicContact CE1-CB 4.05Å; K85-A89 WeakPolarHBondContact O-CB 3.44Å; K85-A89 PolarHBondContact O-N 3.3Å; K85-A89 VanDerWaalsContact O-N 3.07Å; C86-A89 PolarHBondContact O-N 2.63Å; A89-A92 WeakPolarHBondContact O-CB 3.43Å; A89-A92 PolarHBondContact O-N 3.44Å; A89-D93 PolarHBondContact O-N 2.87Å |
| 90 | F | 96.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.4 | -47.3 | 174.2 | 168.4 | -110 | 0 | 0 | 0 | 112 | Y78 M80 C86 V87 D88 A92 D93 F94 A103 V105 M119 C123 I127 | Y78-F90 AromaticContact CD1-CD2 3.68Å; Y78-F90 HydrophobicContact CD1-CD2 3.68Å; Y78-F90 HydrophobicContact CD1-CE2 4.38Å; Y78-F90 AromaticContact CD2-CD2 3.96Å; Y78-F90 HydrophobicContact CD2-CD2 3.96Å; Y78-F90 AromaticContact CD2-CE2 3.81Å; Y78-F90 HydrophobicContact CD2-CE2 3.81Å; Y78-F90 AromaticContact CE1-CD2 3.61Å; Y78-F90 HydrophobicContact CE1-CD2 3.61Å; Y78-F90 HydrophobicContact CE1-CE2 4.32Å; Y78-F90 AromaticContact CE2-CD2 3.89Å; Y78-F90 HydrophobicContact CE2-CD2 3.89Å; Y78-F90 AromaticContact CE2-CE2 3.74Å; Y78-F90 HydrophobicContact CE2-CE2 3.74Å; Y78-F90 AromaticContact CG-CD2 3.84Å; Y78-F90 HydrophobicContact CG-CD2 3.84Å; Y78-F90 HydrophobicContact CG-CE2 4.12Å; Y78-F90 AromaticContact CZ-CD2 3.7Å; Y78-F90 AromaticContact CZ-CE2 3.99Å; M80-F90 HydrophobicContact CE-CB 3.99Å; M80-F90 HydrophobicContact CE-CD1 4.29Å; M80-F90 HydrophobicContact CE-CG 4.02Å; M80-F90 HydrophobicContact SD-CB 4.11Å; C86-F90 WeakPolarHBondContact O-CB 3.42Å; C86-F90 PolarHBondContact O-N 3.44Å; V87-F90 PolarHBondContact O-N 2.94Å; D88-F90 VanDerWaalsContact C-N 3.34Å; F90-A92 VanDerWaalsContact C-N 3.26Å; F90-A92 PolarHBondContact O-N 3.42Å; F90-D93 WeakPolarHBondContact O-CB 3.39Å; F90-D93 PolarHBondContact O-N 3.39Å; F90-D93 VanDerWaalsContact O-N 3.15Å; F90-F94 HydrophobicContact CD2-CD2 4.37Å; F90-F94 HydrophobicContact CD2-CE2 4.01Å; F90-F94 AromaticContact CE2-CD2 3.92Å; F90-F94 HydrophobicContact CE2-CD2 3.92Å; F90-F94 AromaticContact CE2-CE2 3.47Å; F90-F94 HydrophobicContact CE2-CE2 3.47Å; F90-F94 VanDerWaalsContact CE2-CE2 3.47Å; F90-F94 HydrophobicContact CE2-CZ 4.48Å; F90-F94 HydrophobicContact CZ-CD2 4.24Å; F90-F94 HydrophobicContact CZ-CE2 4.13Å; F90-F94 WeakPolarHBondContact O-CD2 3.45Å; F90-A103 HydrophobicContact CE2-CB 3.64Å; F90-A103 HydrophobicContact CZ-CB 3.92Å; F90-V105 HydrophobicContact CD2-CG2 4.49Å; F90-V105 HydrophobicContact CE1-CG2 4.13Å; F90-V105 HydrophobicContact CE2-CG2 3.75Å; F90-V105 HydrophobicContact CZ-CG2 3.54Å; F90-M119 HydrophobicContact CD1-CG 4.16Å; F90-M119 HydrophobicContact CD1-SD 3.92Å; F90-M119 HydrophobicContact CE1-CG 4.33Å; F90-M119 HydrophobicContact CE1-SD 4.08Å; F90-C123 WeakPolarHBondContact CE1-SG 3.24Å; F90-I127 HydrophobicContact CE1-CD1 4.01Å; F90-I127 HydrophobicContact CE1-CG1 4.28Å; F90-I127 HydrophobicContact CZ-CD1 4.11Å; F90-I127 HydrophobicContact CZ-CG1 3.86Å |
| 91 | I | 95.8 | Very high | 93.6 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.6 | -38.9 | 177.9 | -70.9 | 165.5 | 0 | 0 | 0 | 110.9 | V87 D88 D93 F94 K95 K118 M119 | V87-I91 HydrophobicContact CG1-CD1 3.78Å; V87-I91 HydrophobicContact CG1-CG1 4.48Å; V87-I91 VanDerWaalsContact O-CG1 3.24Å; V87-I91 WeakPolarHBondContact O-CG1 3.36Å; V87-I91 PolarHBondContact O-N 3.2Å; D88-I91 PolarHBondContact O-N 3.49Å; I91-D93 PolarHBondContact O-N 2.82Å; I91-F94 PolarHBondContact O-N 3.16Å; I91-F94 VanDerWaalsContact O-N 3.09Å; I91-K95 HydrophobicContact CG2-CB 4.42Å; I91-K95 WeakPolarHBondContact O-CB 3.37Å; I91-K95 PolarHBondContact O-N 2.85Å; I91-K118 HydrophobicContact CD1-CD 4.27Å; I91-K118 HydrophobicContact CD1-CG 3.88Å; I91-M119 HydrophobicContact CD1-CG 4.34Å; I91-M119 HydrophobicContact CG1-CG 4.42Å |
| 92 | A | 94.4 | Very high | 93.4 | Very high | 61 Ų | 61 | 53.4 Ų | 53.4 | 50% | 0.504 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -29.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D88 A89 F90 F94 | D88-A92 WeakPolarHBondContact O-CB 3.03Å; D88-A92 PolarHBondContact O-N 2.84Å; A89-A92 WeakPolarHBondContact O-CB 3.43Å; A89-A92 PolarHBondContact O-N 3.44Å; F90-A92 VanDerWaalsContact C-N 3.26Å; F90-A92 PolarHBondContact O-N 3.42Å; A92-F94 PolarHBondContact O-N 3.25Å |
| 93 | D | 95.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.6 | -15.1 | 177.5 | -71.5 | -19.7 | 0 | 0 | 0 | 113.9 | R68 Y78 A89 F90 I91 P98 K99 | R68-D93 IonicContact CZ-OD1 2.62Å; R68-D93 IonicContact CZ-OD2 2.66Å; R68-D93 VanDerWaalsContact CZ-OD2 3.24Å; R68-D93 IonicContact NH1-OD1 3.1Å; R68-D93 IonicContact NH1-OD2 3.72Å; R68-D93 PolarHBondContact NH1-OD2 2.91Å; R68-D93 VanDerWaalsContact NH2-CG 3.33Å; R68-D93 IonicContact NH2-OD1 2.64Å; R68-D93 PolarHBondContact NH2-OD1 2.85Å; R68-D93 IonicContact NH2-OD2 3.87Å; R68-D93 PolarHBondContact NH2-OD2 2.61Å; Y78-D93 WeakPolarHBondContact CE1-OD2 3.43Å; Y78-D93 WeakPolarHBondContact OH-CB 3.39Å; Y78-D93 PolarHBondContact OH-OD2 3.04Å; A89-D93 PolarHBondContact O-N 2.87Å; F90-D93 WeakPolarHBondContact O-CB 3.39Å; F90-D93 PolarHBondContact O-N 3.39Å; F90-D93 VanDerWaalsContact O-N 3.15Å; I91-D93 PolarHBondContact O-N 2.82Å; D93-P98 CarbonylContact O-C 3.59Å; D93-P98 WeakPolarHBondContact O-CA 3.14Å; D93-K99 HydrophobicContact CB-CD 4.25Å; D93-K99 HydrophobicContact CB-CG 4.45Å; D93-K99 PolarHBondContact O-N 2.86Å; D93-K99 WeakPolarHBondContact OD1-CD 3.35Å; D93-K99 VanDerWaalsContact OD1-CE 3.32Å; D93-K99 WeakPolarHBondContact OD1-CE 3.2Å; D93-K99 IonicContact OD1-NZ 3.45Å; D93-K99 PolarHBondContact OD1-NZ 3.28Å |
| 94 | F | 93.5 | Very high | 93.3 | Very high | 9 Ų | 9 | 50.6 Ų | 50.6 | 4% | 0.039 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -125.3 | -13.4 | -175.4 | -63.6 | -80 | 0 | 0 | 0 | 114.9 | Y78 F90 I91 A92 P98 Y100 A103 C123 H126 | Y78-F94 AromaticContact CE2-CE2 3.9Å; Y78-F94 HydrophobicContact CE2-CE2 3.9Å; Y78-F94 HydrophobicContact CE2-CZ 4.08Å; Y78-F94 AromaticContact CZ-CE2 3.86Å; Y78-F94 WeakPolarHBondContact OH-CE2 3.49Å; F90-F94 HydrophobicContact CD2-CD2 4.37Å; F90-F94 HydrophobicContact CD2-CE2 4.01Å; F90-F94 AromaticContact CE2-CD2 3.92Å; F90-F94 HydrophobicContact CE2-CD2 3.92Å; F90-F94 AromaticContact CE2-CE2 3.47Å; F90-F94 HydrophobicContact CE2-CE2 3.47Å; F90-F94 VanDerWaalsContact CE2-CE2 3.47Å; F90-F94 HydrophobicContact CE2-CZ 4.48Å; F90-F94 HydrophobicContact CZ-CD2 4.24Å; F90-F94 HydrophobicContact CZ-CE2 4.13Å; F90-F94 WeakPolarHBondContact O-CD2 3.45Å; I91-F94 PolarHBondContact O-N 3.16Å; I91-F94 VanDerWaalsContact O-N 3.09Å; A92-F94 PolarHBondContact O-N 3.25Å; F94-P98 HydrophobicContact CD1-CB 3.98Å; F94-P98 HydrophobicContact CE1-CB 4.5Å; F94-Y100 HydrophobicContact CZ-CD2 4.16Å; F94-A103 HydrophobicContact CE2-CB 3.99Å; F94-A103 HydrophobicContact CZ-CB 3.79Å; F94-C123 HydrophobicContact CB-CB 4Å; F94-H126 HydrophobicContact CD1-CB 3.6Å; F94-H126 AromaticContact CD1-CD2 3.89Å; F94-H126 AromaticContact CD1-CG 3.52Å; F94-H126 AromaticContact CD1-ND1 3.97Å; F94-H126 HydrophobicContact CE1-CB 3.88Å; F94-H126 HydrophobicContact CG-CB 4.15Å |
| 95 | K | 86.1 | Confident | 93.3 | Very high | 164 Ų | 164 | 47.9 Ų | 47.9 | 71% | 0.713 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.8 | -44.3 | -171.5 | -171.2 | 176.2 | -178.3 | 179.4 | 0 | 114.5 | I91 | I91-K95 HydrophobicContact CG2-CB 4.42Å; I91-K95 WeakPolarHBondContact O-CB 3.37Å; I91-K95 PolarHBondContact O-N 2.85Å |
| 96 | S | 80.4 | Confident | 93.3 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 76% | 0.762 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -101 | -60.1 | -175.3 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | ||
| 97 | K | 85.7 | Confident | 93.3 | Very high | 171 Ų | 171 | 41.2 Ų | 41.2 | 74% | 0.743 | 22% | 0.217 | S | C | * | . | S | Bend | trans | -132.2 | 125.4 | 170.9 | -69.8 | -177.9 | 180 | 178.5 | 0 | 107.8 | K99 | K97-K99 PolarHBondContact O-N 3.42Š|
| 98 | P | 91.6 | Very high | 93.2 | Very high | 50 Ų | 50 | 41.3 Ų | 41.3 | 33% | 0.325 | 22% | 0.217 | S | C | . | . | trans | -62 | 131.3 | 179.6 | 26.6 | -33.6 | 0 | 0 | 0 | 109.6 | L72 D93 F94 | L72-P98 WeakPolarHBondContact CD2-O 3.5Å; D93-P98 CarbonylContact O-C 3.59Å; D93-P98 WeakPolarHBondContact O-CA 3.14Å; F94-P98 HydrophobicContact CD1-CB 3.98Å; F94-P98 HydrophobicContact CE1-CB 4.5Å | ||
| 99 | K | 94 | Very high | 93 | Very high | 39 Ų | 39 | 39.6 Ų | 39.6 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -76.9 | -26.7 | 173.4 | -73.1 | -170.9 | -175.7 | 161.2 | 0 | 113.2 | P70 V71 D93 K97 | P70-K99 CarbonylContact C-O 3.59Å; P70-K99 WeakPolarHBondContact CA-O 3.2Å; P70-K99 HydrophobicContact CG-CG 4.4Å; V71-K99 CarbonylContact C-O 3.6Å; V71-K99 VanDerWaalsContact C-O 3.29Å; V71-K99 PolarHBondContact N-O 3.26Å; D93-K99 HydrophobicContact CB-CD 4.25Å; D93-K99 HydrophobicContact CB-CG 4.45Å; D93-K99 PolarHBondContact O-N 2.86Å; D93-K99 WeakPolarHBondContact OD1-CD 3.35Å; D93-K99 VanDerWaalsContact OD1-CE 3.32Å; D93-K99 WeakPolarHBondContact OD1-CE 3.2Å; D93-K99 IonicContact OD1-NZ 3.45Å; D93-K99 PolarHBondContact OD1-NZ 3.28Å; K97-K99 PolarHBondContact O-N 3.42Å |
| 100 | Y | 94.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 160.9 | -172.5 | -48 | -74.4 | 0 | 0 | 0 | 111.2 | I33 I35 E62 R68 V71 A76 Y78 F94 S102 | I33-Y100 HydrophobicContact CD1-CD1 3.9Å; I33-Y100 HydrophobicContact CD1-CE1 3.68Å; I33-Y100 HydrophobicContact CG2-CE1 4.45Å; I35-Y100 HydrophobicContact CD1-CD2 4.2Å; I35-Y100 HydrophobicContact CD1-CE2 3.45Å; I35-Y100 VanDerWaalsContact CD1-CE2 3.45Å; E62-Y100 PolarHBondContact OE2-OH 2.98Å; R68-Y100 PolarHBondContact NH1-OH 2.7Å; V71-Y100 HydrophobicContact CB-CD1 4.42Å; A76-Y100 HydrophobicContact CB-CD1 4.03Å; A76-Y100 HydrophobicContact CB-CD2 3.62Å; A76-Y100 HydrophobicContact CB-CE2 4.15Å; A76-Y100 HydrophobicContact CB-CG 3.54Å; Y78-Y100 HydrophobicContact CE2-CD2 4.48Å; Y78-Y100 VanDerWaalsContact OH-CD2 3.31Å; Y78-Y100 WeakPolarHBondContact OH-CD2 3.24Å; Y78-Y100 WeakPolarHBondContact OH-CE2 3.48Å; F94-Y100 HydrophobicContact CZ-CD2 4.16Å; Y100-S102 VanDerWaalsContact C-N 3.33Å; Y100-S102 PolarHBondContact O-N 2.92Å |
| 101 | K | 91.8 | Very high | 92.6 | Very high | 131 Ų | 131 | 44.9 Ų | 44.9 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | -43 | -179.5 | -168.9 | 171.2 | -179.1 | 167.3 | 0 | 112.9 | L72 M74 | L72-K101 WeakPolarHBondContact O-CA 3.37Å; L72-K101 VanDerWaalsContact O-CB 3.28Å; L72-K101 WeakPolarHBondContact O-CB 3.45Å; L72-K101 PolarHBondContact O-N 3.41Å; M74-K101 VanDerWaalsContact O-CB 3.25Å; M74-K101 WeakPolarHBondContact O-CB 3.18Å; M74-K101 PolarHBondContact O-N 2.92Å |
| 102 | S | 91.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.028 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 155.1 | -179.2 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | K75 A76 Y100 H126 | K75-S102 WeakPolarHBondContact CG-OG 3.42Å; A76-S102 PolarHBondContact N-O 3.12Å; Y100-S102 VanDerWaalsContact C-N 3.33Å; Y100-S102 PolarHBondContact O-N 2.92Å; S102-H126 CarbonylContact C-O 3.59Å; S102-H126 WeakPolarHBondContact CA-O 3.41Å |
| 103 | A | 94 | Very high | 92.6 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 138.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A76 Y78 F90 F94 V105 H126 R128 | A76-A103 CarbonylContact O-C 3.6Å; A76-A103 WeakPolarHBondContact O-CA 3.49Å; Y78-A103 HydrophobicContact CD2-CB 3.97Å; Y78-A103 HydrophobicContact CE2-CB 3.88Å; F90-A103 HydrophobicContact CE2-CB 3.64Å; F90-A103 HydrophobicContact CZ-CB 3.92Å; F94-A103 HydrophobicContact CE2-CB 3.99Å; F94-A103 HydrophobicContact CZ-CB 3.79Å; A103-V105 HydrophobicContact CB-CG2 4.23Å; A103-H126 PolarHBondContact N-O 2.86Å; A103-R128 PolarHBondContact O-N 2.8Å |
| 104 | Y | 94.6 | Very high | 92.6 | Very high | 28 Ų | 28 | 54.9 Ų | 54.9 | 11% | 0.11 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.2 | 167.5 | -68.8 | -107.8 | 0 | 0 | 0 | 107 | K75 A76 I77 Y78 R128 V129 | K75-Y104 HydrophobicContact CB-CD2 4.43Å; K75-Y104 HydrophobicContact CB-CE2 4.06Å; K75-Y104 HydrophobicContact CD-CE2 3.81Å; K75-Y104 HydrophobicContact CG-CE2 4.24Å; K75-Y104 PolarHBondContact NZ-OH 3.39Å; A76-Y104 PolarHBondContact O-N 3.01Å; I77-Y104 CarbonylContact C-O 3.5Å; I77-Y104 WeakPolarHBondContact CA-O 3.5Å; Y78-Y104 PolarHBondContact N-O 3.2Å; Y104-R128 HydrophobicContact CE1-CB 4.21Å; Y104-R128 HydrophobicContact CE2-CB 4.16Å; Y104-R128 HydrophobicContact CE2-CG 4.45Å; Y104-V129 HydrophobicContact CD1-CB 3.76Å; Y104-V129 HydrophobicContact CD1-CG2 3.46Å; Y104-V129 VanDerWaalsContact CD1-CG2 3.46Å; Y104-V129 HydrophobicContact CE1-CB 4.45Å; Y104-V129 HydrophobicContact CE1-CG2 3.69Å; Y104-V129 HydrophobicContact CG-CB 4.46Å |
| 105 | V | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 126.5 | -171.8 | -175.5 | 0 | 0 | 0 | 0 | 109.5 | M80 F90 A103 F107 I127 V129 C130 K131 | M80-V105 HydrophobicContact CE-CG1 3.5Å; F90-V105 HydrophobicContact CD2-CG2 4.49Å; F90-V105 HydrophobicContact CE1-CG2 4.13Å; F90-V105 HydrophobicContact CE2-CG2 3.75Å; F90-V105 HydrophobicContact CZ-CG2 3.54Å; A103-V105 HydrophobicContact CB-CG2 4.23Å; V105-F107 HydrophobicContact CG1-CD2 4.25Å; V105-F107 HydrophobicContact CG1-CE1 4.48Å; V105-F107 HydrophobicContact CG1-CE2 3.68Å; V105-F107 HydrophobicContact CG1-CZ 3.81Å; V105-I127 HydrophobicContact CG2-CG1 4.48Å; V105-V129 PolarHBondContact N-O 3.37Å; V105-C130 CarbonylContact O-C 3.6Å; V105-C130 VanDerWaalsContact O-CA 3.24Å; V105-C130 WeakPolarHBondContact O-CA 3.36Å; V105-K131 PolarHBondContact O-N 2.86Å |
| 106 | Y | 96.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 120.6 | 175.6 | -60.5 | -88.3 | 0 | 0 | 0 | 109.1 | I21 D24 C25 I77 Y78 F79 M80 V129 K131 I133 | I21-Y106 HydrophobicContact CB-CD2 4.49Å; I21-Y106 HydrophobicContact CB-CE1 4.49Å; I21-Y106 HydrophobicContact CB-CE2 4.4Å; I21-Y106 HydrophobicContact CD1-CG 4.4Å; I21-Y106 HydrophobicContact CG1-CD1 3.88Å; I21-Y106 HydrophobicContact CG1-CD2 4.18Å; I21-Y106 HydrophobicContact CG1-CE1 4.25Å; I21-Y106 HydrophobicContact CG1-CG 3.85Å; I21-Y106 HydrophobicContact CG2-CD2 3.89Å; I21-Y106 HydrophobicContact CG2-CE2 3.74Å; I21-Y106 HydrophobicContact CG2-CG 4.42Å; I21-Y106 PolarHBondContact O-OH 3.27Å; D24-Y106 VanDerWaalsContact CB-OH 3.3Å; D24-Y106 WeakPolarHBondContact CB-OH 3.4Å; C25-Y106 PolarHBondContact SG-OH 3.11Å; C25-Y106 VanDerWaalsContact SG-OH 3.39Å; I77-Y106 HydrophobicContact CG2-CD2 3.89Å; I77-Y106 HydrophobicContact CG2-CE2 3.96Å; Y78-Y106 PolarHBondContact O-N 3.02Å; F79-Y106 WeakPolarHBondContact CA-O 2.99Å; M80-Y106 PolarHBondContact N-O 3.49Å; Y106-V129 HydrophobicContact CE1-CG1 4.09Å; Y106-K131 CarbonylContact C-O 3.48Å; Y106-K131 VanDerWaalsContact CA-O 3.29Å; Y106-K131 WeakPolarHBondContact CA-O 3.36Å; Y106-K131 HydrophobicContact CD1-CB 3.96Å; Y106-K131 HydrophobicContact CE1-CB 4.21Å; Y106-K131 HydrophobicContact CE1-CD 4.27Å; Y106-I133 HydrophobicContact CD1-CD1 4.2Å; Y106-I133 HydrophobicContact CD1-CG1 4.37Å; Y106-I133 HydrophobicContact CG-CD1 4.27Å |
| 107 | F | 97.1 | Very high | 93.9 | Very high | 1 Ų | 1 | 50.8 Ų | 50.8 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 143.8 | 173.9 | -70.1 | -69.8 | 0 | 0 | 0 | 111.3 | M80 P82 V87 V105 D109 C111 M119 K131 E132 I133 | M80-F107 HydrophobicContact CE-CD1 4.4Å; M80-F107 HydrophobicContact CE-CE1 3.41Å; M80-F107 VanDerWaalsContact CE-CE1 3.41Å; M80-F107 HydrophobicContact CE-CZ 3.47Å; M80-F107 VanDerWaalsContact CE-CZ 3.47Å; M80-F107 HydrophobicContact CG-CD1 4.13Å; M80-F107 HydrophobicContact CG-CE1 3.91Å; M80-F107 WeakPolarHBondContact O-CA 3.38Å; M80-F107 HydrophobicContact SD-CE1 4.37Å; P82-F107 HydrophobicContact CB-CD1 3.78Å; P82-F107 HydrophobicContact CB-CE1 4.27Å; P82-F107 HydrophobicContact CB-CG 4.28Å; V87-F107 HydrophobicContact CG2-CE1 4.25Å; V87-F107 HydrophobicContact CG2-CZ 4.28Å; V105-F107 HydrophobicContact CG1-CD2 4.25Å; V105-F107 HydrophobicContact CG1-CE1 4.48Å; V105-F107 HydrophobicContact CG1-CE2 3.68Å; V105-F107 HydrophobicContact CG1-CZ 3.81Å; F107-D109 VanDerWaalsContact C-N 3.25Å; F107-D109 VanDerWaalsContact CB-O 3.28Å; F107-D109 WeakPolarHBondContact CB-O 3.49Å; F107-D109 PolarHBondContact O-N 3.02Å; F107-C111 HydrophobicContact CD2-CB 3.84Å; F107-C111 HydrophobicContact CE2-CB 4.06Å; F107-C111 HydrophobicContact CG-CB 4.22Å; F107-M119 HydrophobicContact CE2-CE 3.63Å; F107-M119 HydrophobicContact CE2-SD 4.24Å; F107-M119 HydrophobicContact CZ-CE 3.48Å; F107-M119 VanDerWaalsContact CZ-CE 3.48Å; F107-M119 HydrophobicContact CZ-SD 3.67Å; F107-K131 PolarHBondContact N-O 2.56Å; F107-E132 HydrophobicContact CB-CG 4.4Å; F107-I133 PolarHBondContact O-N 2.7Å |
| 108 | T | 95.4 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.006 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -64.8 | -32 | 172.9 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | F39 T40 F79 M80 T81 P82 N134 I135 | F39-T108 HydrophobicContact CD1-CG2 3.84Å; F39-T108 HydrophobicContact CE1-CG2 3.77Å; T40-T108 HydrophobicContact CG2-CG2 3.29Å; F79-T108 HydrophobicContact CD2-CG2 4.35Å; F79-T108 HydrophobicContact CE2-CG2 3.65Å; F79-T108 HydrophobicContact CZ-CG2 4.1Å; M80-T108 PolarHBondContact O-N 3.27Å; M80-T108 VanDerWaalsContact O-N 3.13Å; T81-T108 WeakPolarHBondContact CA-OG1 3.41Å; T81-T108 HydrophobicContact CG2-CG2 4.15Å; P82-T108 WeakPolarHBondContact CD-OG1 3.4Å; T108-N134 CarbonylContact O-C 3.56Å; T108-N134 WeakPolarHBondContact O-CA 3.02Å; T108-N134 PolarHBondContact O-N 2.86Å; T108-N134 VanDerWaalsContact O-N 3.11Å; T108-I135 WeakPolarHBondContact CB-O 3.45Å; T108-I135 CarbonylContact O-C 3.58Å; T108-I135 PolarHBondContact O-N 3.47Å |
| 109 | D | 92.1 | Very high | 94.5 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 14% | 0.139 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -146.9 | -178.2 | -174.6 | -148 | -24.6 | 0 | 0 | 0 | 110.4 | P82 F107 C111 S136 | P82-D109 HydrophobicContact CG-CB 4.18Å; F107-D109 VanDerWaalsContact C-N 3.25Å; F107-D109 VanDerWaalsContact CB-O 3.28Å; F107-D109 WeakPolarHBondContact CB-O 3.49Å; F107-D109 PolarHBondContact O-N 3.02Å; D109-C111 PolarHBondContact O-N 3.22Å; D109-S136 WeakPolarHBondContact OD2-CB 3.4Å |
| 110 | Y | 91 | Very high | 94.4 | Very high | 126 Ų | 126 | 48.6 Ų | 48.6 | 49% | 0.494 | 23% | 0.232 | S | C | . | . | trans | -50.9 | 129.7 | 175.7 | -179.9 | -100.1 | 0 | 0 | 0 | 111.9 | P82 P112 D113 | P82-Y110 WeakPolarHBondContact CG-O 3.36Å; Y110-P112 WeakPolarHBondContact O-CD 3.27Å; Y110-D113 PolarHBondContact OH-OD1 3Å | ||
| 111 | C | 93.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 53.1 Ų | 53.1 | 3% | 0.027 | 26% | 0.264 | C | S | . | . | trans | -93.2 | 115.3 | 176.5 | -169.4 | 0 | 0 | 0 | 0 | 110.4 | P82 F107 D109 D113 E132 | P82-C111 HydrophobicContact CB-CB 4.17Å; F107-C111 HydrophobicContact CD2-CB 3.84Å; F107-C111 HydrophobicContact CE2-CB 4.06Å; F107-C111 HydrophobicContact CG-CB 4.22Å; D109-C111 PolarHBondContact O-N 3.22Å; C111-D113 PolarHBondContact O-N 2.9Å; C111-E132 PolarHBondContact N-OE1 3.29Å | ||
| 112 | P | 94.3 | Very high | 94.3 | Very high | 54 Ų | 54 | 49.6 Ų | 49.6 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | trans | -54.1 | 141.3 | 176.9 | -26.1 | 33.6 | 0 | 0 | 0 | 112.9 | Y110 D114 L115 F116 | Y110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-D114 PolarHBondContact O-N 3.4Å; P112-D114 VanDerWaalsContact O-N 3.13Å; P112-L115 HydrophobicContact CG-CD1 4.38Å; P112-L115 WeakPolarHBondContact O-CB 3.29Å; P112-L115 PolarHBondContact O-N 3.13Å; P112-F116 PolarHBondContact O-N 3.16Å | ||
| 113 | D | 95 | Very high | 94.3 | Very high | 97 Ų | 97 | 49.6 Ų | 49.6 | 52% | 0.519 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.3 | -36.9 | -175.3 | -68 | 3.6 | 0 | 0 | 0 | 112.7 | Y110 C111 L115 F116 N117 | Y110-D113 PolarHBondContact OH-OD1 3Å; C111-D113 PolarHBondContact O-N 2.9Å; D113-L115 PolarHBondContact O-N 2.89Å; D113-F116 PolarHBondContact O-N 2.77Å; D113-N117 VanDerWaalsContact O-CB 3.26Å; D113-N117 WeakPolarHBondContact O-CB 3.28Å; D113-N117 PolarHBondContact O-N 3.44Å; D113-N117 PolarHBondContact O-ND2 2.92Å |
| 114 | D | 96.4 | Very high | 94.1 | Very high | 136 Ų | 136 | 52 Ų | 52 | 73% | 0.727 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.6 | -44.3 | 177.2 | -66.2 | -28.9 | 0 | 0 | 0 | 111.9 | P112 K118 | P112-D114 PolarHBondContact O-N 3.4Å; P112-D114 VanDerWaalsContact O-N 3.13Å; D114-K118 WeakPolarHBondContact O-CB 3.44Å; D114-K118 PolarHBondContact O-N 3.48Å; D114-K118 VanDerWaalsContact O-N 3.08Å |
| 115 | L | 96 | Very high | 94 | Very high | 24 Ų | 24 | 59.3 Ų | 59.3 | 13% | 0.126 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70.4 | -40.6 | 177.6 | -66 | -173 | 0 | 0 | 0 | 111.2 | P82 V87 P112 D113 K118 M119 | P82-L115 VanDerWaalsContact O-CD1 3.25Å; P82-L115 WeakPolarHBondContact O-CD1 3.32Å; V87-L115 HydrophobicContact CG2-CB 4.25Å; V87-L115 HydrophobicContact CG2-CD1 4.36Å; P112-L115 HydrophobicContact CG-CD1 4.38Å; P112-L115 WeakPolarHBondContact O-CB 3.29Å; P112-L115 PolarHBondContact O-N 3.13Å; D113-L115 PolarHBondContact O-N 2.89Å; L115-K118 WeakPolarHBondContact O-CB 3.36Å; L115-K118 PolarHBondContact O-N 3.3Å; L115-M119 PolarHBondContact O-N 3.27Å; L115-M119 VanDerWaalsContact O-N 3.09Å |
| 116 | F | 95.6 | Very high | 93.8 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 39% | 0.386 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.9 | -47.2 | 176.1 | -175.1 | -94.3 | 0 | 0 | 0 | 112 | P112 D113 K118 M119 K120 | P112-F116 PolarHBondContact O-N 3.16Å; D113-F116 PolarHBondContact O-N 2.77Å; F116-K118 VanDerWaalsContact C-N 3.31Å; F116-K118 PolarHBondContact O-N 3.22Å; F116-M119 HydrophobicContact CD2-CE 4.35Å; F116-M119 PolarHBondContact O-N 3.07Å; F116-K120 HydrophobicContact CE1-CD 4.4Å; F116-K120 WeakPolarHBondContact O-CB 3.27Å; F116-K120 PolarHBondContact O-N 3.25Å |
| 117 | N | 95.6 | Very high | 93.7 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 45% | 0.449 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -36.1 | 178.2 | -73.6 | -38.4 | 0 | 0 | 0 | 112.1 | D113 K120 S121 | D113-N117 VanDerWaalsContact O-CB 3.26Å; D113-N117 WeakPolarHBondContact O-CB 3.28Å; D113-N117 PolarHBondContact O-N 3.44Å; D113-N117 PolarHBondContact O-ND2 2.92Å; N117-K120 PolarHBondContact O-N 3.38Å; N117-S121 PolarHBondContact O-N 3.38Å; N117-S121 PolarHBondContact O-OG 3.13Å |
| 118 | K | 94.9 | Very high | 93.5 | Very high | 80 Ų | 80 | 70.4 Ų | 70.4 | 35% | 0.348 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 173.5 | -166.5 | -178 | -170.1 | 178.7 | 0 | 112.4 | V87 D88 I91 D114 L115 F116 S121 S122 | V87-K118 HydrophobicContact CG1-CD 4.47Å; D88-K118 VanDerWaalsContact CG-NZ 3.31Å; D88-K118 WeakPolarHBondContact OD1-CE 3.29Å; D88-K118 IonicContact OD1-NZ 3.04Å; D88-K118 PolarHBondContact OD1-NZ 3.37Å; D88-K118 IonicContact OD2-NZ 3.16Å; D88-K118 PolarHBondContact OD2-NZ 2.87Å; I91-K118 HydrophobicContact CD1-CD 4.27Å; I91-K118 HydrophobicContact CD1-CG 3.88Å; D114-K118 WeakPolarHBondContact O-CB 3.44Å; D114-K118 PolarHBondContact O-N 3.48Å; D114-K118 VanDerWaalsContact O-N 3.08Å; L115-K118 WeakPolarHBondContact O-CB 3.36Å; L115-K118 PolarHBondContact O-N 3.3Å; F116-K118 VanDerWaalsContact C-N 3.31Å; F116-K118 PolarHBondContact O-N 3.22Å; K118-S121 PolarHBondContact O-OG 2.99Å; K118-S122 WeakPolarHBondContact O-CB 3.48Å; K118-S122 PolarHBondContact O-N 3.06Å; K118-S122 PolarHBondContact O-OG 3Å |
| 119 | M | 93.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.015 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 174.7 | -70.2 | -175.4 | -66.2 | 0 | 0 | 112.3 | M80 V87 F90 I91 F107 L115 F116 S121 S122 C123 | M80-M119 HydrophobicContact CE-SD 4.38Å; V87-M119 HydrophobicContact CB-CG 4.48Å; V87-M119 HydrophobicContact CG1-CG 3.47Å; V87-M119 VanDerWaalsContact CG1-CG 3.47Å; V87-M119 HydrophobicContact CG1-SD 4.15Å; V87-M119 HydrophobicContact CG2-CE 4.47Å; V87-M119 HydrophobicContact CG2-CG 4.43Å; V87-M119 HydrophobicContact CG2-SD 4.04Å; F90-M119 HydrophobicContact CD1-CG 4.16Å; F90-M119 HydrophobicContact CD1-SD 3.92Å; F90-M119 HydrophobicContact CE1-CG 4.33Å; F90-M119 HydrophobicContact CE1-SD 4.08Å; I91-M119 HydrophobicContact CD1-CG 4.34Å; I91-M119 HydrophobicContact CG1-CG 4.42Å; F107-M119 HydrophobicContact CE2-CE 3.63Å; F107-M119 HydrophobicContact CE2-SD 4.24Å; F107-M119 HydrophobicContact CZ-CE 3.48Å; F107-M119 VanDerWaalsContact CZ-CE 3.48Å; F107-M119 HydrophobicContact CZ-SD 3.67Å; L115-M119 PolarHBondContact O-N 3.27Å; L115-M119 VanDerWaalsContact O-N 3.09Å; F116-M119 HydrophobicContact CD2-CE 4.35Å; F116-M119 PolarHBondContact O-N 3.07Å; M119-S121 VanDerWaalsContact C-N 3.32Å; M119-S121 PolarHBondContact O-N 2.97Å; M119-S122 PolarHBondContact O-N 2.68Å; M119-S122 VanDerWaalsContact O-N 3.15Å; M119-C123 PolarHBondContact O-N 2.67Å; M119-C123 PolarHBondContact O-SG 3.3Å |
| 120 | K | 92.8 | Very high | 93.4 | Very high | 131 Ų | 131 | 73 Ų | 73 | 57% | 0.57 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -57.1 | -45.1 | -179.1 | -177.8 | -179.8 | 176.8 | -178.5 | 0 | 111.8 | F116 N117 A124 | F116-K120 HydrophobicContact CE1-CD 4.4Å; F116-K120 WeakPolarHBondContact O-CB 3.27Å; F116-K120 PolarHBondContact O-N 3.25Å; N117-K120 PolarHBondContact O-N 3.38Å; K120-A124 WeakPolarHBondContact O-CB 3.09Å |
| 121 | S | 92.4 | Very high | 93.5 | Very high | 97 Ų | 97 | 71.5 Ų | 71.5 | 68% | 0.678 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -68.4 | -34.2 | 178.2 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | N117 K118 M119 | N117-S121 PolarHBondContact O-N 3.38Å; N117-S121 PolarHBondContact O-OG 3.13Å; K118-S121 PolarHBondContact O-OG 2.99Å; M119-S121 VanDerWaalsContact C-N 3.32Å; M119-S121 PolarHBondContact O-N 2.97Å |
| 122 | S | 90.7 | Very high | 93.4 | Very high | 57 Ų | 57 | 75.2 Ų | 75.2 | 40% | 0.399 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -91.2 | -36.5 | -170.7 | -57.8 | 0 | 0 | 0 | 0 | 114.7 | K118 M119 | K118-S122 WeakPolarHBondContact O-CB 3.48Å; K118-S122 PolarHBondContact O-N 3.06Å; K118-S122 PolarHBondContact O-OG 3Å; M119-S122 PolarHBondContact O-N 2.68Å; M119-S122 VanDerWaalsContact O-N 3.15Å |
| 123 | C | 91.1 | Very high | 93.3 | Very high | 4 Ų | 4 | 72.9 Ų | 72.9 | 3% | 0.027 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -145 | 14.9 | -165.8 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | F90 F94 M119 K125 H126 | F90-C123 WeakPolarHBondContact CE1-SG 3.24Å; F94-C123 HydrophobicContact CB-CB 4Å; M119-C123 PolarHBondContact O-N 2.67Å; M119-C123 PolarHBondContact O-SG 3.3Å; C123-K125 PolarHBondContact O-N 3.14Å; C123-H126 PolarHBondContact O-N 3.47Å |
| 124 | A | 90.3 | Very high | 93.1 | Very high | 51 Ų | 51 | 69.8 Ų | 69.8 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -32.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K120 H126 I127 | K120-A124 WeakPolarHBondContact O-CB 3.09Å; A124-H126 PolarHBondContact O-N 3.41Å; A124-I127 PolarHBondContact O-N 3.49Å |
| 125 | K | 92.3 | Very high | 93.1 | Very high | 181 Ų | 181 | 63.3 Ų | 63.3 | 79% | 0.787 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -27.4 | 179.8 | -62.6 | -178.3 | -177.9 | 177.8 | 0 | 113.1 | C123 R128 | C123-K125 PolarHBondContact O-N 3.14Å; K125-R128 PolarHBondContact O-NH1 3.4Å |
| 126 | H | 92.6 | Very high | 93.1 | Very high | 52 Ų | 52 | 63 Ų | 63 | 24% | 0.241 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -19.5 | -176.7 | -61.6 | -73.2 | 0 | 0 | 0 | 113.3 | F94 S102 A103 C123 A124 | F94-H126 HydrophobicContact CD1-CB 3.6Å; F94-H126 AromaticContact CD1-CD2 3.89Å; F94-H126 AromaticContact CD1-CG 3.52Å; F94-H126 AromaticContact CD1-ND1 3.97Å; F94-H126 HydrophobicContact CE1-CB 3.88Å; F94-H126 HydrophobicContact CG-CB 4.15Å; S102-H126 CarbonylContact C-O 3.59Å; S102-H126 WeakPolarHBondContact CA-O 3.41Å; A103-H126 PolarHBondContact N-O 2.86Å; C123-H126 PolarHBondContact O-N 3.47Å; A124-H126 PolarHBondContact O-N 3.41Å |
| 127 | I | 94.1 | Very high | 93.2 | Very high | 34 Ų | 34 | 58.9 Ų | 58.9 | 17% | 0.174 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.1 | 180 | -60.7 | 170 | 0 | 0 | 0 | 109.3 | F90 V105 A124 V129 C130 | F90-I127 HydrophobicContact CE1-CD1 4.01Å; F90-I127 HydrophobicContact CE1-CG1 4.28Å; F90-I127 HydrophobicContact CZ-CD1 4.11Å; F90-I127 HydrophobicContact CZ-CG1 3.86Å; V105-I127 HydrophobicContact CG2-CG1 4.48Å; A124-I127 PolarHBondContact O-N 3.49Å; I127-V129 WeakPolarHBondContact CG2-O 3.36Å; I127-C130 HydrophobicContact CG2-CB 4.19Å |
| 128 | R | 92.6 | Very high | 93.2 | Very high | 148 Ų | 148 | 55.1 Ų | 55.1 | 56% | 0.558 | 28% | 0.281 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | -34.4 | 176.2 | -66.7 | -68.5 | 177.9 | -98.4 | 0.4 | 112.5 | A103 Y104 K125 | A103-R128 PolarHBondContact O-N 2.8Å; Y104-R128 HydrophobicContact CE1-CB 4.21Å; Y104-R128 HydrophobicContact CE2-CB 4.16Å; Y104-R128 HydrophobicContact CE2-CG 4.45Å; K125-R128 PolarHBondContact O-NH1 3.4Å |
| 129 | V | 92.5 | Very high | 93.3 | Very high | 31 Ų | 31 | 51.3 Ų | 51.3 | 19% | 0.188 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 138.6 | 176.4 | 177.2 | 0 | 0 | 0 | 0 | 107.2 | Y104 V105 Y106 I127 K131 | Y104-V129 HydrophobicContact CD1-CB 3.76Å; Y104-V129 HydrophobicContact CD1-CG2 3.46Å; Y104-V129 VanDerWaalsContact CD1-CG2 3.46Å; Y104-V129 HydrophobicContact CE1-CB 4.45Å; Y104-V129 HydrophobicContact CE1-CG2 3.69Å; Y104-V129 HydrophobicContact CG-CB 4.46Å; V105-V129 PolarHBondContact N-O 3.37Å; Y106-V129 HydrophobicContact CE1-CG1 4.09Å; I127-V129 WeakPolarHBondContact CG2-O 3.36Å; V129-K131 HydrophobicContact CG1-CB 4.47Å; V129-K131 HydrophobicContact CG1-CD 4Å; V129-K131 HydrophobicContact CG1-CG 3.8Å |
| 130 | C | 93.4 | Very high | 93.4 | Very high | 52 Ų | 52 | 53.4 Ų | 53.4 | 35% | 0.351 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 113 | 168.7 | -168.1 | 0 | 0 | 0 | 0 | 106.6 | V105 I127 | V105-C130 CarbonylContact O-C 3.6Å; V105-C130 VanDerWaalsContact O-CA 3.24Å; V105-C130 WeakPolarHBondContact O-CA 3.36Å; I127-C130 HydrophobicContact CG2-CB 4.19Å |
| 131 | K | 93.8 | Very high | 93.5 | Very high | 94 Ų | 94 | 47.6 Ų | 47.6 | 41% | 0.409 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 155.7 | -177 | -73.4 | -174.4 | 179.2 | -174.7 | 0 | 111.3 | D24 V105 Y106 F107 V129 | D24-K131 VanDerWaalsContact CG-NZ 3.26Å; D24-K131 IonicContact OD1-NZ 2.85Å; D24-K131 PolarHBondContact OD1-NZ 3.11Å; D24-K131 VanDerWaalsContact OD1-NZ 3.12Å; D24-K131 WeakPolarHBondContact OD2-CD 3.3Å; D24-K131 WeakPolarHBondContact OD2-CE 3.14Å; D24-K131 IonicContact OD2-NZ 3.57Å; D24-K131 PolarHBondContact OD2-NZ 2.76Å; V105-K131 PolarHBondContact O-N 2.86Å; Y106-K131 CarbonylContact C-O 3.48Å; Y106-K131 VanDerWaalsContact CA-O 3.29Å; Y106-K131 WeakPolarHBondContact CA-O 3.36Å; Y106-K131 HydrophobicContact CD1-CB 3.96Å; Y106-K131 HydrophobicContact CE1-CB 4.21Å; Y106-K131 HydrophobicContact CE1-CD 4.27Å; F107-K131 PolarHBondContact N-O 2.56Å; V129-K131 HydrophobicContact CG1-CB 4.47Å; V129-K131 HydrophobicContact CG1-CD 4Å; V129-K131 HydrophobicContact CG1-CG 3.8Å |
| 132 | E | 92.3 | Very high | 93.6 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 38% | 0.383 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 132.1 | 173.7 | -60.5 | 171.7 | 166.7 | 0 | 0 | 108.3 | F107 C111 | F107-E132 HydrophobicContact CB-CG 4.4Å; C111-E132 PolarHBondContact N-OE1 3.29Å |
| 133 | I | 91.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | trans | -97.5 | -25.6 | -175.9 | -57.5 | 175.7 | 0 | 0 | 0 | 111.3 | R16 I21 F79 Y106 F107 I135 | R16-I133 HydrophobicContact CG-CG2 4.44Å; R16-I133 PolarHBondContact NE-O 3.02Å; R16-I133 VanDerWaalsContact NE-O 3.17Å; R16-I133 PolarHBondContact NH2-O 3.26Å; I21-I133 HydrophobicContact CD1-CD1 3.19Å; I21-I133 HydrophobicContact CG1-CD1 3.28Å; I21-I133 HydrophobicContact CG1-CG1 4.44Å; F79-I133 HydrophobicContact CD2-CD1 3.99Å; F79-I133 HydrophobicContact CE2-CD1 3.67Å; F79-I133 HydrophobicContact CZ-CD1 4.3Å; Y106-I133 HydrophobicContact CD1-CD1 4.2Å; Y106-I133 HydrophobicContact CD1-CG1 4.37Å; Y106-I133 HydrophobicContact CG-CD1 4.27Å; F107-I133 PolarHBondContact O-N 2.7Å; I133-I135 HydrophobicContact CG2-CD1 3.5Å; I133-I135 HydrophobicContact CG2-CG1 3.82Å | ||
| 134 | N | 91.4 | Very high | 94.3 | Very high | 31 Ų | 31 | 41.1 Ų | 41.1 | 17% | 0.166 | 20% | 0.203 | C | C | . | . | trans | 59.3 | 57.5 | -177.1 | -50.8 | -38.3 | 0 | 0 | 0 | 111.4 | T108 T177 T181 | T108-N134 CarbonylContact O-C 3.56Å; T108-N134 WeakPolarHBondContact O-CA 3.02Å; T108-N134 PolarHBondContact O-N 2.86Å; T108-N134 VanDerWaalsContact O-N 3.11Å; N134-T177 HydrophobicContact CB-CG2 4.28Å; N134-T177 VanDerWaalsContact O-CB 3.28Å; N134-T177 WeakPolarHBondContact O-CB 2.98Å; N134-T181 PolarHBondContact O-OG1 3.3Å | ||
| 135 | I | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -132.9 | 100.7 | 169.7 | -57.1 | 169.9 | 0 | 0 | 0 | 107.9 | V13 R16 I17 L43 T108 I133 F137 | V13-I135 HydrophobicContact CG1-CD1 4.42Å; V13-I135 HydrophobicContact CG1-CG2 4.37Å; R16-I135 HydrophobicContact CB-CD1 4.27Å; R16-I135 HydrophobicContact CG-CD1 4.04Å; I17-I135 HydrophobicContact CG1-CD1 4.07Å; L43-I135 HydrophobicContact CD1-CG2 4.05Å; L43-I135 HydrophobicContact CD2-CB 4.41Å; L43-I135 HydrophobicContact CD2-CG2 3.75Å; T108-I135 WeakPolarHBondContact CB-O 3.45Å; T108-I135 CarbonylContact O-C 3.58Å; T108-I135 PolarHBondContact O-N 3.47Å; I133-I135 HydrophobicContact CG2-CD1 3.5Å; I133-I135 HydrophobicContact CG2-CG1 3.82Å; I135-F137 HydrophobicContact CG2-CD1 4.32Å; I135-F137 HydrophobicContact CG2-CE1 4.06Å | ||
| 136 | S | 95.7 | Very high | 94.9 | Very high | 18 Ų | 18 | 30.4 Ų | 30.4 | 13% | 0.126 | 15% | 0.147 | C | C | . | . | trans | -123.7 | 28.3 | -177.2 | -156.7 | 0 | 0 | 0 | 0 | 112 | D109 Q174 T177 | D109-S136 WeakPolarHBondContact OD2-CB 3.4Å; S136-Q174 WeakPolarHBondContact O-CG 3.28Å; S136-Q174 PolarHBondContact O-NE2 2.91Å; S136-T177 PolarHBondContact N-OG1 2.82Å | ||
| 137 | F | 97.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -134.1 | 161.8 | 176.4 | 70.4 | -85.7 | 0 | 0 | 0 | 110.5 | V13 L43 I135 P139 F145 L178 T181 | V13-F137 HydrophobicContact CG2-CE2 3.97Å; V13-F137 HydrophobicContact CG2-CZ 3.69Å; L43-F137 WeakPolarHBondContact CD1-O 3.36Å; I135-F137 HydrophobicContact CG2-CD1 4.32Å; I135-F137 HydrophobicContact CG2-CE1 4.06Å; F137-P139 HydrophobicContact CE2-CB 4.42Å; F137-F145 HydrophobicContact CB-CD2 4.49Å; F137-F145 HydrophobicContact CD2-CB 3.8Å; F137-F145 HydrophobicContact CE2-CB 4.3Å; F137-L178 HydrophobicContact CD1-CB 3.92Å; F137-L178 HydrophobicContact CD1-CD1 4.26Å; F137-L178 HydrophobicContact CD2-CD1 4.11Å; F137-L178 VanDerWaalsContact CE1-CA 3.49Å; F137-L178 HydrophobicContact CE1-CB 4.01Å; F137-L178 HydrophobicContact CE1-CD1 3.86Å; F137-L178 HydrophobicContact CE2-CD1 3.67Å; F137-L178 HydrophobicContact CG-CB 4.43Å; F137-L178 HydrophobicContact CG-CD1 4.38Å; F137-L178 HydrophobicContact CZ-CD1 3.53Å; F137-T181 HydrophobicContact CE1-CG2 4.22Å; F137-T181 HydrophobicContact CZ-CG2 3.99Å |
| 138 | L | 97.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.4 | 174.2 | -58.8 | -176.9 | 0 | 0 | 0 | 111 | F39 K42 L43 Q140 F145 T146 D148 | F39-L138 HydrophobicContact CD2-CD2 4.37Å; F39-L138 HydrophobicContact CE2-CD2 3.87Å; F39-L138 HydrophobicContact CE2-CG 4.21Å; F39-L138 HydrophobicContact CZ-CD2 4.22Å; K42-L138 HydrophobicContact CB-CD1 4.09Å; K42-L138 HydrophobicContact CB-CD2 4.08Å; K42-L138 HydrophobicContact CD-CD1 4.16Å; L43-L138 HydrophobicContact CB-CD2 3.87Å; L43-L138 HydrophobicContact CD1-CD2 4.22Å; L138-Q140 PolarHBondContact O-N 2.96Å; L138-Q140 VanDerWaalsContact O-N 3.13Å; L138-F145 WeakPolarHBondContact O-CA 3.45Å; L138-T146 HydrophobicContact CB-CG2 3.8Å; L138-T146 HydrophobicContact CD1-CG2 4.33Å; L138-T146 HydrophobicContact CG-CG2 4.44Å; L138-T146 PolarHBondContact N-O 3.5Å; L138-T146 PolarHBondContact O-N 3.25Å; L138-D148 HydrophobicContact CD1-CB 3.6Å; L138-D148 HydrophobicContact CG-CB 4.12Å |
| 139 | P | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 93 | 171.8 | 33.2 | -35.2 | 0 | 0 | 0 | 110 | L9 K10 V13 L43 S46 C47 F137 | L9-P139 HydrophobicContact CB-CB 3.88Å; K10-P139 WeakPolarHBondContact CE-O 3.41Å; K10-P139 HydrophobicContact CG-CB 3.91Å; K10-P139 HydrophobicContact CG-CG 4.13Å; K10-P139 WeakPolarHBondContact CG-O 3.23Å; V13-P139 HydrophobicContact CB-CG 4.17Å; V13-P139 HydrophobicContact CG1-CG 4.26Å; V13-P139 HydrophobicContact CG2-CB 4.23Å; V13-P139 HydrophobicContact CG2-CG 3.99Å; L43-P139 HydrophobicContact CD1-CG 4.48Å; S46-P139 WeakPolarHBondContact OG-CD 3.41Å; S46-P139 WeakPolarHBondContact OG-CG 3.38Å; C47-P139 HydrophobicContact CB-CG 4.44Å; F137-P139 HydrophobicContact CE2-CB 4.42Å |
| 140 | Q | 95.3 | Very high | 95.4 | Very high | 47 Ų | 47 | 25.4 Ų | 25.4 | 22% | 0.22 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.3 | -44.6 | -177 | -72.2 | -64.2 | -14.3 | 0 | 0 | 112.1 | K10 L138 V144 T146 I563 | K10-Q140 WeakPolarHBondContact CE-O 3.27Å; K10-Q140 PolarHBondContact NZ-O 3Å; L138-Q140 PolarHBondContact O-N 2.96Å; L138-Q140 VanDerWaalsContact O-N 3.13Å; Q140-V144 HydrophobicContact CB-CG1 4.41Å; Q140-V144 PolarHBondContact N-O 3.02Å; Q140-T146 HydrophobicContact CG-CG2 3.44Å; Q140-T146 VanDerWaalsContact CG-CG2 3.44Å; Q140-I563 HydrophobicContact CB-CD1 4.2Å; Q140-I563 HydrophobicContact CG-CD1 4.01Å |
| 141 | E | 96.1 | Very high | 95.5 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 5% | 0.047 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 177.5 | 176.3 | -53.7 | -167.4 | 144.6 | 0 | 0 | 110.3 | Q143 V144 Q250 E280 R289 M541 Y545 | E141-Q143 PolarHBondContact O-N 2.95Å; E141-Q143 VanDerWaalsContact O-N 3.15Å; E141-V144 HydrophobicContact CB-CB 3.92Å; E141-V144 HydrophobicContact CB-CG2 4.08Å; E141-V144 HydrophobicContact CG-CB 4.18Å; E141-V144 HydrophobicContact CG-CG2 4.31Å; E141-V144 PolarHBondContact N-O 3.4Å; E141-V144 PolarHBondContact O-N 2.97Å; E141-Q250 PolarHBondContact OE1-NE2 3.01Å; E141-E280 WeakPolarHBondContact CA-OE1 3.23Å; E141-E280 WeakPolarHBondContact CB-OE1 3.44Å; E141-R289 VanDerWaalsContact CD-CZ 3.5Å; E141-R289 IonicContact OE1-CZ 3.33Å; E141-R289 IonicContact OE1-NE 3.92Å; E141-R289 IonicContact OE1-NH1 2.61Å; E141-R289 PolarHBondContact OE1-NH1 3.43Å; E141-R289 IonicContact OE2-CZ 3.32Å; E141-R289 IonicContact OE2-NE 3.62Å; E141-R289 IonicContact OE2-NH1 3.74Å; E141-R289 PolarHBondContact OE2-NH1 2.99Å; E141-R289 IonicContact OE2-NH2 3.93Å; E141-M541 HydrophobicContact CG-CE 4.17Å; E141-Y545 WeakPolarHBondContact CB-OH 3.4Å; E141-Y545 VanDerWaalsContact OE2-CE2 3.25Å; E141-Y545 WeakPolarHBondContact OE2-CE2 3.06Å; E141-Y545 PolarHBondContact OE2-OH 2.83Å |
| 142 | A | 94.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 19.8 Ų | 19.8 | 8% | 0.083 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -34.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L9 E280 | L9-A142 WeakPolarHBondContact CG-O 3.41Å; L9-A142 PolarHBondContact N-O 3.43Å; A142-E280 VanDerWaalsContact N-CD 3.34Å; A142-E280 PolarHBondContact N-OE1 3.4Å; A142-E280 PolarHBondContact N-OE2 3.05Å; A142-E280 VanDerWaalsContact N-OE2 3.15Å |
| 143 | Q | 96.7 | Very high | 95.9 | Very high | 11 Ų | 11 | 15.9 Ų | 15.9 | 5% | 0.051 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.2 | 11.1 | -179 | -60.3 | -173.1 | -113.5 | 0 | 0 | 113.5 | E141 Y545 T548 V556 I557 V558 | E141-Q143 PolarHBondContact O-N 2.95Å; E141-Q143 VanDerWaalsContact O-N 3.15Å; Q143-Y545 HydrophobicContact CB-CD1 4.41Å; Q143-Y545 HydrophobicContact CB-CE1 3.82Å; Q143-Y545 HydrophobicContact CB-CE2 4.34Å; Q143-Y545 HydrophobicContact CG-CD1 4.19Å; Q143-Y545 HydrophobicContact CG-CE1 3.74Å; Q143-Y545 PolarHBondContact N-OH 2.98Å; Q143-T548 PolarHBondContact NE2-OG1 2.99Å; Q143-V556 PolarHBondContact NE2-O 2.88Å; Q143-I557 WeakPolarHBondContact O-CA 3.43Å; Q143-V558 PolarHBondContact O-N 3.22Å |
| 144 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 130.2 | -176.9 | -172.2 | 0 | 0 | 0 | 0 | 111.3 | Q140 E141 M541 Y545 V558 | Q140-V144 HydrophobicContact CB-CG1 4.41Å; Q140-V144 PolarHBondContact N-O 3.02Å; E141-V144 HydrophobicContact CB-CB 3.92Å; E141-V144 HydrophobicContact CB-CG2 4.08Å; E141-V144 HydrophobicContact CG-CB 4.18Å; E141-V144 HydrophobicContact CG-CG2 4.31Å; E141-V144 PolarHBondContact N-O 3.4Å; E141-V144 PolarHBondContact O-N 2.97Å; V144-M541 HydrophobicContact CB-CE 4.21Å; V144-M541 HydrophobicContact CG1-CE 3.93Å; V144-M541 HydrophobicContact CG1-CG 3.92Å; V144-M541 HydrophobicContact CG1-SD 4.09Å; V144-M541 HydrophobicContact CG2-CB 4.02Å; V144-M541 HydrophobicContact CG2-CE 3.86Å; V144-M541 HydrophobicContact CG2-CG 3.86Å; V144-Y545 HydrophobicContact CG2-CE2 4.04Å; V144-V558 VanDerWaalsContact CA-O 3.26Å; V144-V558 WeakPolarHBondContact CA-O 3.48Å; V144-V558 HydrophobicContact CG1-CG2 4.45Å; V144-V558 HydrophobicContact CG2-CG2 3.9Å |
| 145 | F | 98.3 | Very high | 96.3 | Very high | 2 Ų | 2 | 20.7 Ų | 20.7 | 1% | 0.009 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 159.3 | 173.7 | 72.6 | -83.8 | 0 | 0 | 0 | 112.4 | L9 F137 L138 L175 L178 I529 F531 I557 V558 G559 | L9-F145 HydrophobicContact CD1-CB 4.09Å; F137-F145 HydrophobicContact CB-CD2 4.49Å; F137-F145 HydrophobicContact CD2-CB 3.8Å; F137-F145 HydrophobicContact CE2-CB 4.3Å; L138-F145 WeakPolarHBondContact O-CA 3.45Å; F145-L175 HydrophobicContact CE2-CD2 3.85Å; F145-L175 HydrophobicContact CZ-CD2 3.83Å; F145-L178 HydrophobicContact CD1-CD1 4.41Å; F145-L178 HydrophobicContact CD1-CD2 3.64Å; F145-L178 HydrophobicContact CD2-CD2 3.95Å; F145-L178 HydrophobicContact CE1-CD2 3.32Å; F145-L178 HydrophobicContact CE2-CD2 3.66Å; F145-L178 HydrophobicContact CG-CD1 4.35Å; F145-L178 HydrophobicContact CG-CD2 3.94Å; F145-L178 HydrophobicContact CZ-CD2 3.33Å; F145-I529 HydrophobicContact CE1-CG2 4.21Å; F145-F531 AromaticContact CE2-CD2 3.82Å; F145-F531 HydrophobicContact CE2-CD2 3.82Å; F145-F531 HydrophobicContact CE2-CE2 4.16Å; F145-F531 AromaticContact CZ-CD2 3.82Å; F145-F531 HydrophobicContact CZ-CD2 3.82Å; F145-I557 HydrophobicContact CD1-CG2 3.68Å; F145-I557 HydrophobicContact CE1-CG2 3.97Å; F145-V558 WeakPolarHBondContact CD1-O 3.24Å; F145-V558 VanDerWaalsContact CE1-C 3.47Å; F145-V558 PolarHBondContact N-O 3.4Å; F145-G559 VanDerWaalsContact CE1-CA 3.45Å; F145-G559 VanDerWaalsContact CE1-N 3.34Å; F145-G559 WeakPolarHBondContact O-CA 3.46Å |
| 146 | T | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.4 | 172.2 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | L138 Q140 D148 S560 S561 H562 | L138-T146 HydrophobicContact CB-CG2 3.8Å; L138-T146 HydrophobicContact CD1-CG2 4.33Å; L138-T146 HydrophobicContact CG-CG2 4.44Å; L138-T146 PolarHBondContact N-O 3.5Å; L138-T146 PolarHBondContact O-N 3.25Å; Q140-T146 HydrophobicContact CG-CG2 3.44Å; Q140-T146 VanDerWaalsContact CG-CG2 3.44Å; T146-D148 VanDerWaalsContact C-N 3.27Å; T146-D148 PolarHBondContact OG1-N 3.19Å; T146-D148 VanDerWaalsContact OG1-N 3.14Å; T146-S560 WeakPolarHBondContact CA-O 3.22Å; T146-S561 PolarHBondContact OG1-O 3.36Å; T146-S561 VanDerWaalsContact OG1-O 3.05Å; T146-H562 WeakPolarHBondContact OG1-CA 3.23Å |
| 147 | C | 96.8 | Very high | 96.3 | Very high | 5 Ų | 5 | 20 Ų | 20 | 3% | 0.034 | 11% | 0.106 | C | C | . | . | trans | -81.7 | -3.3 | 169.3 | -64 | 0 | 0 | 0 | 0 | 113.9 | D149 L171 Q174 S560 | C147-D149 VanDerWaalsContact C-N 3.29Å; C147-D149 PolarHBondContact O-N 3.45Å; C147-L171 HydrophobicContact CB-CD2 3.79Å; C147-Q174 PolarHBondContact O-NE2 3.11Å; C147-Q174 VanDerWaalsContact O-NE2 3.08Å; C147-Q174 PolarHBondContact SG-OE1 2.87Å; C147-Q174 VanDerWaalsContact SG-OE1 3.37Å; C147-S560 PolarHBondContact N-O 2.91Å | ||
| 148 | D | 95.2 | Very high | 96.2 | Very high | 54 Ų | 54 | 20.2 Ų | 20.2 | 29% | 0.289 | 11% | 0.108 | S | C | . | . | S | Bend | trans | 56.5 | 39.2 | -178.2 | -165.1 | 40.8 | 0 | 0 | 0 | 113.3 | K42 L138 T146 S561 | K42-D148 VanDerWaalsContact CD-OD2 3.31Å; K42-D148 WeakPolarHBondContact CD-OD2 3.32Å; K42-D148 VanDerWaalsContact NZ-CG 3.29Å; K42-D148 IonicContact NZ-OD1 3.96Å; K42-D148 PolarHBondContact NZ-OD1 2.84Å; K42-D148 VanDerWaalsContact NZ-OD1 3.08Å; K42-D148 IonicContact NZ-OD2 3.89Å; K42-D148 PolarHBondContact NZ-OD2 2.77Å; L138-D148 HydrophobicContact CD1-CB 3.6Å; L138-D148 HydrophobicContact CG-CB 4.12Å; T146-D148 VanDerWaalsContact C-N 3.27Å; T146-D148 PolarHBondContact OG1-N 3.19Å; T146-D148 VanDerWaalsContact OG1-N 3.14Å; D148-S561 PolarHBondContact N-O 3.4Å |
| 149 | D | 95.6 | Very high | 95.8 | Very high | 34 Ų | 34 | 23.6 Ų | 23.6 | 18% | 0.182 | 13% | 0.13 | C | C | . | . | trans | -131.3 | 75.9 | -177.3 | -171.1 | 9.4 | 0 | 0 | 0 | 112.9 | C147 G151 A152 R155 S561 | C147-D149 VanDerWaalsContact C-N 3.29Å; C147-D149 PolarHBondContact O-N 3.45Å; D149-G151 PolarHBondContact O-N 3.34Å; D149-G151 PolarHBondContact OD1-N 2.9Å; D149-A152 HydrophobicContact CB-CB 4.27Å; D149-A152 WeakPolarHBondContact O-CB 3.43Å; D149-A152 PolarHBondContact O-N 2.82Å; D149-A152 VanDerWaalsContact O-N 3.14Å; D149-A152 PolarHBondContact OD1-N 2.7Å; D149-A152 WeakPolarHBondContact OD2-CB 3.37Å; D149-R155 IonicContact OD1-CZ 2.75Å; D149-R155 IonicContact OD1-NH1 3.89Å; D149-R155 IonicContact OD1-NH2 2.86Å; D149-R155 PolarHBondContact OD1-NH2 3.36Å; D149-R155 IonicContact OD2-CZ 2.92Å; D149-R155 IonicContact OD2-NH2 3.24Å; D149-R155 PolarHBondContact OD2-NH2 3.48Å; D149-S561 PolarHBondContact N-O 3.4Å; D149-S561 WeakPolarHBondContact O-CB 3.3Å | ||
| 150 | P | 94.9 | Very high | 95.5 | Very high | 68 Ų | 68 | 28.5 Ų | 28.5 | 44% | 0.442 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -36.6 | 174.4 | -23.6 | 34 | 0 | 0 | 0 | 112.8 | A152 F153 H562 | P150-A152 PolarHBondContact O-N 2.75Å; P150-A152 VanDerWaalsContact O-N 3.1Å; P150-F153 PolarHBondContact O-N 2.86Å; P150-H562 HydrophobicContact CB-CB 4.32Å; P150-H562 HydrophobicContact CG-CB 4.06Å |
| 151 | G | 95.4 | Very high | 95.2 | Very high | 27 Ų | 27 | 27.5 Ų | 27.5 | 28% | 0.278 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D149 F153 R154 R155 | D149-G151 PolarHBondContact O-N 3.34Å; D149-G151 PolarHBondContact OD1-N 2.9Å; G151-F153 PolarHBondContact O-N 3.17Å; G151-R154 PolarHBondContact O-N 2.91Å; G151-R155 VanDerWaalsContact C-CZ 3.45Å; G151-R155 PolarHBondContact O-N 3.15Å; G151-R155 VanDerWaalsContact O-N 3.16Å; G151-R155 PolarHBondContact O-NH1 3.49Å |
| 152 | A | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.5 | -34.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | D149 P150 R154 R155 I156 T167 | D149-A152 HydrophobicContact CB-CB 4.27Å; D149-A152 WeakPolarHBondContact O-CB 3.43Å; D149-A152 PolarHBondContact O-N 2.82Å; D149-A152 VanDerWaalsContact O-N 3.14Å; D149-A152 PolarHBondContact OD1-N 2.7Å; D149-A152 WeakPolarHBondContact OD2-CB 3.37Å; P150-A152 PolarHBondContact O-N 2.75Å; P150-A152 VanDerWaalsContact O-N 3.1Å; A152-R154 PolarHBondContact O-N 3.34Å; A152-R155 PolarHBondContact O-N 2.76Å; A152-I156 HydrophobicContact CB-CD1 4.27Å; A152-I156 WeakPolarHBondContact O-CB 3.21Å; A152-I156 VanDerWaalsContact O-CG1 3.23Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 2.84Å; A152-T167 HydrophobicContact CB-CG2 3.8Å |
| 153 | F | 96.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.2 | -55.7 | 179.5 | -174.1 | -92.7 | 0 | 0 | 0 | 111 | P150 G151 R155 I156 Y157 L440 G534 L569 D572 I573 L576 | P150-F153 PolarHBondContact O-N 2.86Å; G151-F153 PolarHBondContact O-N 3.17Å; F153-R155 PolarHBondContact O-N 3.11Å; F153-I156 PolarHBondContact O-N 3.01Å; F153-Y157 HydrophobicContact CD1-CD2 4.45Å; F153-Y157 AromaticContact CD2-CD2 3.75Å; F153-Y157 HydrophobicContact CD2-CD2 3.75Å; F153-Y157 AromaticContact CD2-CE2 3.89Å; F153-Y157 HydrophobicContact CD2-CE2 3.89Å; F153-Y157 AromaticContact CE2-CD2 3.84Å; F153-Y157 HydrophobicContact CE2-CD2 3.84Å; F153-Y157 AromaticContact CE2-CE2 4Å; F153-Y157 HydrophobicContact CE2-CE2 4Å; F153-Y157 HydrophobicContact CG-CD2 4.09Å; F153-Y157 HydrophobicContact CZ-CD2 4.25Å; F153-Y157 VanDerWaalsContact O-CD2 3.27Å; F153-Y157 WeakPolarHBondContact O-CD2 3.33Å; F153-Y157 PolarHBondContact O-N 3.31Å; F153-L440 HydrophobicContact CE1-CD1 4.5Å; F153-L440 HydrophobicContact CE2-CD1 4.49Å; F153-L440 HydrophobicContact CE2-CD2 4.12Å; F153-L440 HydrophobicContact CZ-CD1 3.84Å; F153-L440 HydrophobicContact CZ-CD2 3.97Å; F153-L440 HydrophobicContact CZ-CG 4.36Å; F153-G534 VanDerWaalsContact CD2-O 3.24Å; F153-G534 WeakPolarHBondContact CD2-O 3.21Å; F153-L569 HydrophobicContact CE2-CD1 3.91Å; F153-L569 HydrophobicContact CZ-CD1 3.93Å; F153-D572 HydrophobicContact CD1-CB 3.65Å; F153-D572 HydrophobicContact CE1-CB 3.81Å; F153-D572 HydrophobicContact CG-CB 4.31Å; F153-I573 HydrophobicContact CE1-CG1 4.03Å; F153-I573 HydrophobicContact CZ-CG1 3.75Å; F153-L576 HydrophobicContact CD1-CD2 3.94Å; F153-L576 HydrophobicContact CE1-CD1 3.89Å; F153-L576 HydrophobicContact CE1-CD2 3.81Å; F153-L576 HydrophobicContact CE1-CG 4Å; F153-L576 HydrophobicContact CZ-CD1 4.44Å |
| 154 | R | 95.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 26% | 0.257 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.3 | -40.7 | 179.9 | -171.3 | 177.3 | -179.1 | -153.2 | -2.7 | 112.2 | G151 A152 I156 S158 A575 L576 K578 G579 | G151-R154 PolarHBondContact O-N 2.91Å; A152-R154 PolarHBondContact O-N 3.34Å; R154-I156 VanDerWaalsContact C-N 3.26Å; R154-I156 PolarHBondContact O-N 3.2Å; R154-S158 WeakPolarHBondContact O-CB 3.38Å; R154-S158 PolarHBondContact O-N 3.15Å; R154-A575 PolarHBondContact NE-O 3.03Å; R154-L576 HydrophobicContact CB-CD2 4.47Å; R154-L576 HydrophobicContact CG-CD2 4.39Å; R154-K578 PolarHBondContact NH2-O 3.28Å; R154-G579 PolarHBondContact NH2-O 2.89Å |
| 155 | R | 95.9 | Very high | 94.7 | Very high | 70 Ų | 70 | 45 Ų | 45 | 26% | 0.264 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.1 | -28.2 | 179 | -71.1 | -171.8 | -62.2 | -84.5 | 1 | 113.4 | D149 G151 A152 F153 S161 D163 T167 | D149-R155 IonicContact OD1-CZ 2.75Å; D149-R155 IonicContact OD1-NH1 3.89Å; D149-R155 IonicContact OD1-NH2 2.86Å; D149-R155 PolarHBondContact OD1-NH2 3.36Å; D149-R155 IonicContact OD2-CZ 2.92Å; D149-R155 IonicContact OD2-NH2 3.24Å; D149-R155 PolarHBondContact OD2-NH2 3.48Å; G151-R155 VanDerWaalsContact C-CZ 3.45Å; G151-R155 PolarHBondContact O-N 3.15Å; G151-R155 VanDerWaalsContact O-N 3.16Å; G151-R155 PolarHBondContact O-NH1 3.49Å; A152-R155 PolarHBondContact O-N 2.76Å; F153-R155 PolarHBondContact O-N 3.11Å; R155-S161 WeakPolarHBondContact CA-OG 3.41Å; R155-S161 WeakPolarHBondContact O-CB 3.41Å; R155-S161 PolarHBondContact O-OG 2.85Å; R155-S161 VanDerWaalsContact O-OG 3.04Å; R155-D163 HydrophobicContact CB-CB 4.41Å; R155-D163 HydrophobicContact CG-CB 4.17Å; R155-T167 HydrophobicContact CB-CG2 4.49Å; R155-T167 PolarHBondContact NE-OG1 2.77Å; R155-T167 VanDerWaalsContact NE-OG1 3.15Å |
| 156 | I | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -88.8 | -44.4 | -179.8 | -66.3 | 168.7 | 0 | 0 | 0 | 111.7 | A152 F153 R154 K164 T167 L168 L171 N198 I533 | A152-I156 HydrophobicContact CB-CD1 4.27Å; A152-I156 WeakPolarHBondContact O-CB 3.21Å; A152-I156 VanDerWaalsContact O-CG1 3.23Å; A152-I156 WeakPolarHBondContact O-CG1 3.43Å; A152-I156 PolarHBondContact O-N 2.84Å; F153-I156 PolarHBondContact O-N 3.01Å; R154-I156 VanDerWaalsContact C-N 3.26Å; R154-I156 PolarHBondContact O-N 3.2Å; I156-K164 WeakPolarHBondContact O-CE 3.31Å; I156-K164 PolarHBondContact O-NZ 2.93Å; I156-T167 HydrophobicContact CD1-CG2 4Å; I156-T167 HydrophobicContact CG1-CG2 4.02Å; I156-L168 HydrophobicContact CD1-CD2 3.88Å; I156-L168 HydrophobicContact CG1-CD2 4.27Å; I156-L171 HydrophobicContact CD1-CD1 3.82Å; I156-N198 HydrophobicContact CG2-CB 4.33Å; I156-I533 HydrophobicContact CD1-CG2 3.76Å; I156-I533 HydrophobicContact CG2-CG2 4.09Å |
| 157 | Y | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -95.9 | -20.3 | -172.1 | -63.7 | -71.3 | 0 | 0 | 0 | 114.4 | F153 M196 R235 L440 I533 | F153-Y157 HydrophobicContact CD1-CD2 4.45Å; F153-Y157 AromaticContact CD2-CD2 3.75Å; F153-Y157 HydrophobicContact CD2-CD2 3.75Å; F153-Y157 AromaticContact CD2-CE2 3.89Å; F153-Y157 HydrophobicContact CD2-CE2 3.89Å; F153-Y157 AromaticContact CE2-CD2 3.84Å; F153-Y157 HydrophobicContact CE2-CD2 3.84Å; F153-Y157 AromaticContact CE2-CE2 4Å; F153-Y157 HydrophobicContact CE2-CE2 4Å; F153-Y157 HydrophobicContact CG-CD2 4.09Å; F153-Y157 HydrophobicContact CZ-CD2 4.25Å; F153-Y157 VanDerWaalsContact O-CD2 3.27Å; F153-Y157 WeakPolarHBondContact O-CD2 3.33Å; F153-Y157 PolarHBondContact O-N 3.31Å; Y157-M196 HydrophobicContact CD1-CE 3.65Å; Y157-M196 HydrophobicContact CE1-CE 3.68Å; Y157-M196 HydrophobicContact CE1-SD 4.22Å; Y157-R235 PolarHBondContact OH-N 3.01Å; Y157-R235 VanDerWaalsContact OH-N 3.14Å; Y157-L440 HydrophobicContact CD1-CD1 4.14Å; Y157-L440 HydrophobicContact CD1-CG 4.01Å; Y157-L440 HydrophobicContact CD2-CD1 4.47Å; Y157-L440 HydrophobicContact CE1-CG 4.16Å; Y157-L440 HydrophobicContact CG-CD1 3.99Å; Y157-L440 HydrophobicContact CG-CG 4.23Å; Y157-I533 HydrophobicContact CE2-CG2 4.4Å; Y157-I533 PolarHBondContact OH-O 3.28Å |
| 158 | S | 94.4 | Very high | 94.7 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.035 | 27% | 0.27 | C | S | . | . | trans | -69.9 | 131.5 | 179.2 | -175.4 | 0 | 0 | 0 | 0 | 110.7 | R154 H160 S161 L576 | R154-S158 WeakPolarHBondContact O-CB 3.38Å; R154-S158 PolarHBondContact O-N 3.15Å; S158-H160 PolarHBondContact O-N 3.44Å; S158-H160 PolarHBondContact OG-N 3.03Å; S158-S161 PolarHBondContact O-N 2.96Å; S158-L576 PolarHBondContact OG-O 2.96Å | ||
| 159 | P | 90 | Very high | 94.8 | Very high | 76 Ų | 76 | 53.6 Ų | 53.6 | 49% | 0.494 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -18.4 | 176.9 | 26.1 | -34.3 | 0 | 0 | 0 | 112.7 | ||
| 160 | H | 89 | Confident | 94.8 | Very high | 103 Ų | 103 | 55 Ų | 55 | 48% | 0.477 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.1 | -179.5 | -54.2 | 104.7 | 0 | 0 | 0 | 113.7 | S158 | S158-H160 PolarHBondContact O-N 3.44Å; S158-H160 PolarHBondContact OG-N 3.03Å |
| 161 | S | 90 | Very high | 95 | Very high | 25 Ų | 25 | 51.7 Ų | 51.7 | 18% | 0.175 | 27% | 0.266 | C | S | . | . | trans | -80.2 | 133.4 | -174.6 | -168.5 | 0 | 0 | 0 | 0 | 112.8 | R155 S158 D163 | R155-S161 WeakPolarHBondContact CA-OG 3.41Å; R155-S161 WeakPolarHBondContact O-CB 3.41Å; R155-S161 PolarHBondContact O-OG 2.85Å; R155-S161 VanDerWaalsContact O-OG 3.04Å; S158-S161 PolarHBondContact O-N 2.96Å; S161-D163 PolarHBondContact OG-N 3.47Å | ||
| 162 | Q | 90.5 | Very high | 95.1 | Very high | 172 Ų | 172 | 50.4 Ų | 50.4 | 80% | 0.804 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -97.1 | -9.6 | 171.6 | -59.1 | -58.2 | -37.7 | 0 | 0 | 112.8 | ||
| 163 | D | 94.1 | Very high | 95.1 | Very high | 82 Ų | 82 | 53.3 Ų | 53.3 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | trans | -94.3 | 6.4 | -172.7 | -66.1 | -48 | 0 | 0 | 0 | 113.3 | R155 S161 S165 K166 T167 | R155-D163 HydrophobicContact CB-CB 4.41Å; R155-D163 HydrophobicContact CG-CB 4.17Å; S161-D163 PolarHBondContact OG-N 3.47Å; D163-S165 PolarHBondContact O-N 2.97Å; D163-K166 PolarHBondContact O-N 3.15Å; D163-T167 WeakPolarHBondContact O-CB 3.48Å; D163-T167 PolarHBondContact O-N 3.31Å; D163-T167 PolarHBondContact O-OG1 2.78Å | ||
| 164 | K | 94.9 | Very high | 95.1 | Very high | 64 Ų | 64 | 54 Ų | 54 | 28% | 0.278 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.9 | -56.2 | -175 | -177.7 | 178 | -47.5 | -148 | 0 | 112.3 | I156 K166 T167 L168 | I156-K164 WeakPolarHBondContact O-CE 3.31Å; I156-K164 PolarHBondContact O-NZ 2.93Å; K164-K166 PolarHBondContact O-N 2.62Å; K164-T167 PolarHBondContact O-N 3.04Å; K164-T167 VanDerWaalsContact O-N 3.16Å; K164-L168 HydrophobicContact CG-CD1 4.36Å; K164-L168 WeakPolarHBondContact O-CG 3.5Å; K164-L168 PolarHBondContact O-N 2.97Å |
| 165 | S | 95.9 | Very high | 95.3 | Very high | 81 Ų | 81 | 50.8 Ų | 50.8 | 57% | 0.566 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.7 | -45.7 | -176.8 | -53.2 | 0 | 0 | 0 | 0 | 111.6 | D163 T167 L168 E169 | D163-S165 PolarHBondContact O-N 2.97Å; S165-T167 VanDerWaalsContact C-N 3.32Å; S165-T167 PolarHBondContact O-N 2.89Å; S165-L168 PolarHBondContact O-N 3.37Å; S165-E169 WeakPolarHBondContact O-CG 3.43Å; S165-E169 PolarHBondContact O-N 3.03Å |
| 166 | K | 96.4 | Very high | 95.3 | Very high | 141 Ų | 141 | 48 Ų | 48 | 61% | 0.613 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 176.3 | -174.7 | 178.9 | -179.4 | -179.3 | 0 | 111.9 | D163 K164 E169 T170 | D163-K166 PolarHBondContact O-N 3.15Å; K164-K166 PolarHBondContact O-N 2.62Å; K166-E169 PolarHBondContact O-N 3.47Å; K166-T170 PolarHBondContact O-N 3.06Å; K166-T170 PolarHBondContact O-OG1 3.22Å; K166-T170 VanDerWaalsContact O-OG1 3.08Å |
| 167 | T | 97.4 | Very high | 95.3 | Very high | 7 Ų | 7 | 48.1 Ų | 48.1 | 4% | 0.043 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 177.4 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | A152 R155 I156 D163 K164 S165 E169 T170 L171 | A152-T167 HydrophobicContact CB-CG2 3.8Å; R155-T167 HydrophobicContact CB-CG2 4.49Å; R155-T167 PolarHBondContact NE-OG1 2.77Å; R155-T167 VanDerWaalsContact NE-OG1 3.15Å; I156-T167 HydrophobicContact CD1-CG2 4Å; I156-T167 HydrophobicContact CG1-CG2 4.02Å; D163-T167 WeakPolarHBondContact O-CB 3.48Å; D163-T167 PolarHBondContact O-N 3.31Å; D163-T167 PolarHBondContact O-OG1 2.78Å; K164-T167 PolarHBondContact O-N 3.04Å; K164-T167 VanDerWaalsContact O-N 3.16Å; S165-T167 VanDerWaalsContact C-N 3.32Å; S165-T167 PolarHBondContact O-N 2.89Å; T167-E169 VanDerWaalsContact C-N 3.34Å; T167-E169 PolarHBondContact O-N 2.81Å; T167-T170 PolarHBondContact O-N 2.99Å; T167-L171 WeakPolarHBondContact O-CG 3.11Å; T167-L171 PolarHBondContact O-N 3.3Å |
| 168 | L | 98.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 175.7 | -66.9 | 177.3 | 0 | 0 | 0 | 112.3 | I156 K164 S165 L171 A172 N198 T201 L202 L205 | I156-L168 HydrophobicContact CD1-CD2 3.88Å; I156-L168 HydrophobicContact CG1-CD2 4.27Å; K164-L168 HydrophobicContact CG-CD1 4.36Å; K164-L168 WeakPolarHBondContact O-CG 3.5Å; K164-L168 PolarHBondContact O-N 2.97Å; S165-L168 PolarHBondContact O-N 3.37Å; L168-L171 PolarHBondContact O-N 2.98Å; L168-A172 WeakPolarHBondContact O-CB 3.36Å; L168-A172 PolarHBondContact O-N 2.8Å; L168-N198 HydrophobicContact CD1-CB 4.41Å; L168-T201 HydrophobicContact CD1-CG2 4.03Å; L168-L202 HydrophobicContact CD2-CB 4.41Å; L168-L202 VanDerWaalsContact O-CD1 3.3Å; L168-L202 WeakPolarHBondContact O-CD1 3.39Å; L168-L205 HydrophobicContact CB-CD1 4.04Å |
| 169 | E | 97.3 | Very high | 95.4 | Very high | 95 Ų | 95 | 47.7 Ų | 47.7 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 174 | -76.2 | 176.6 | -171.5 | 0 | 0 | 112.2 | S165 K166 T167 A172 D173 L205 K209 | S165-E169 WeakPolarHBondContact O-CG 3.43Å; S165-E169 PolarHBondContact O-N 3.03Å; K166-E169 PolarHBondContact O-N 3.47Å; T167-E169 VanDerWaalsContact C-N 3.34Å; T167-E169 PolarHBondContact O-N 2.81Å; E169-A172 WeakPolarHBondContact O-CB 3.37Å; E169-A172 PolarHBondContact O-N 3.07Å; E169-D173 PolarHBondContact O-N 3.46Å; E169-L205 HydrophobicContact CG-CD1 4.01Å; E169-L205 HydrophobicContact CG-CD2 4.13Å; E169-K209 PolarHBondContact O-NZ 3.16Å |
| 170 | T | 96.4 | Very high | 95.5 | Very high | 62 Ų | 62 | 44.3 Ų | 44.3 | 38% | 0.38 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.7 | -47.3 | 175.4 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | K166 T167 A172 D173 Q174 | K166-T170 PolarHBondContact O-N 3.06Å; K166-T170 PolarHBondContact O-OG1 3.22Å; K166-T170 VanDerWaalsContact O-OG1 3.08Å; T167-T170 PolarHBondContact O-N 2.99Å; T170-A172 PolarHBondContact O-N 3.17Å; T170-D173 PolarHBondContact O-N 3.22Å; T170-D173 VanDerWaalsContact O-N 3.16Å; T170-Q174 WeakPolarHBondContact O-CG 2.93Å; T170-Q174 PolarHBondContact O-N 3.46Å |
| 171 | L | 98.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.2 | -36.4 | 176.6 | -67.3 | 179.1 | 0 | 0 | 0 | 111.5 | C147 I156 T167 L168 Q174 L175 L202 F531 | C147-L171 HydrophobicContact CB-CD2 3.79Å; I156-L171 HydrophobicContact CD1-CD1 3.82Å; T167-L171 WeakPolarHBondContact O-CG 3.11Å; T167-L171 PolarHBondContact O-N 3.3Å; L168-L171 PolarHBondContact O-N 2.98Å; L171-Q174 PolarHBondContact O-N 2.96Å; L171-L175 WeakPolarHBondContact O-CB 3.42Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 2.94Å; L171-L202 HydrophobicContact CB-CD1 4.15Å; L171-F531 HydrophobicContact CD1-CE1 4.26Å; L171-F531 HydrophobicContact CD1-CZ 4.2Å; L171-F531 HydrophobicContact CD2-CZ 4.15Å |
| 172 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.9 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L168 E169 T170 L175 V176 L202 L205 V206 K209 | L168-A172 WeakPolarHBondContact O-CB 3.36Å; L168-A172 PolarHBondContact O-N 2.8Å; E169-A172 WeakPolarHBondContact O-CB 3.37Å; E169-A172 PolarHBondContact O-N 3.07Å; T170-A172 PolarHBondContact O-N 3.17Å; A172-L175 PolarHBondContact O-N 2.99Å; A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 3.33Å; A172-L202 HydrophobicContact CB-CD1 3.88Å; A172-L205 HydrophobicContact CB-CB 3.74Å; A172-V206 HydrophobicContact CB-CG2 3.73Å; A172-K209 HydrophobicContact CB-CD 3.95Å |
| 173 | D | 96 | Very high | 95.9 | Very high | 61 Ų | 61 | 36.1 Ų | 36.1 | 33% | 0.326 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.6 | -47.3 | 174 | -70.1 | -40.7 | 0 | 0 | 0 | 110.8 | E169 T170 L175 V176 T177 K209 | E169-D173 PolarHBondContact O-N 3.46Å; T170-D173 PolarHBondContact O-N 3.22Å; T170-D173 VanDerWaalsContact O-N 3.16Å; D173-L175 PolarHBondContact O-N 2.76Å; D173-V176 WeakPolarHBondContact O-CB 3.38Å; D173-V176 PolarHBondContact O-N 3.3Å; D173-V176 VanDerWaalsContact O-N 3.1Å; D173-T177 WeakPolarHBondContact O-CG2 3.45Å; D173-T177 PolarHBondContact O-N 3.25Å; D173-K209 VanDerWaalsContact OD1-CD 3.27Å; D173-K209 WeakPolarHBondContact OD1-CD 3.45Å; D173-K209 WeakPolarHBondContact OD1-CE 3.39Å; D173-K209 IonicContact OD1-NZ 3.71Å; D173-K209 PolarHBondContact OD1-NZ 2.99Å; D173-K209 IonicContact OD2-NZ 3.99Å; D173-K209 PolarHBondContact OD2-NZ 3.2Å |
| 174 | Q | 97.3 | Very high | 95.7 | Very high | 14 Ų | 14 | 33.2 Ų | 33.2 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 179.4 | -62.8 | 178.4 | -68.3 | 0 | 0 | 112.2 | S136 C147 T170 L171 V176 T177 L178 | S136-Q174 WeakPolarHBondContact O-CG 3.28Å; S136-Q174 PolarHBondContact O-NE2 2.91Å; C147-Q174 PolarHBondContact O-NE2 3.11Å; C147-Q174 VanDerWaalsContact O-NE2 3.08Å; C147-Q174 PolarHBondContact SG-OE1 2.87Å; C147-Q174 VanDerWaalsContact SG-OE1 3.37Å; T170-Q174 WeakPolarHBondContact O-CG 2.93Å; T170-Q174 PolarHBondContact O-N 3.46Å; L171-Q174 PolarHBondContact O-N 2.96Å; Q174-V176 VanDerWaalsContact C-N 3.32Å; Q174-V176 PolarHBondContact O-N 3.12Å; Q174-T177 PolarHBondContact O-N 3.04Å; Q174-T177 PolarHBondContact O-OG1 3.25Å; Q174-L178 PolarHBondContact O-N 2.9Å |
| 175 | L | 98.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.6 | -36.5 | 174.8 | -75.7 | 174.7 | 0 | 0 | 0 | 112.9 | F145 L171 A172 D173 L178 C179 L202 V206 F531 | F145-L175 HydrophobicContact CE2-CD2 3.85Å; F145-L175 HydrophobicContact CZ-CD2 3.83Å; L171-L175 WeakPolarHBondContact O-CB 3.42Å; L171-L175 WeakPolarHBondContact O-CG 3.49Å; L171-L175 PolarHBondContact O-N 2.94Å; A172-L175 PolarHBondContact O-N 2.99Å; D173-L175 PolarHBondContact O-N 2.76Å; L175-L178 WeakPolarHBondContact O-CB 3.34Å; L175-L178 PolarHBondContact O-N 2.7Å; L175-C179 PolarHBondContact O-N 2.9Å; L175-C179 PolarHBondContact O-SG 3.41Å; L175-L202 HydrophobicContact CD1-CD2 4.2Å; L175-L202 HydrophobicContact CD1-CG 4.44Å; L175-V206 HydrophobicContact CB-CG2 4.07Å; L175-V206 HydrophobicContact CD1-CG2 3.73Å; L175-F531 HydrophobicContact CD1-CB 4.27Å; L175-F531 HydrophobicContact CD1-CD1 3.94Å; L175-F531 HydrophobicContact CD1-CD2 4.3Å; L175-F531 HydrophobicContact CD1-CE1 4.33Å; L175-F531 HydrophobicContact CD1-CG 3.91Å; L175-F531 HydrophobicContact CD2-CB 4.04Å; L175-F531 HydrophobicContact CD2-CD2 3.6Å; L175-F531 HydrophobicContact CD2-CE2 4.16Å; L175-F531 HydrophobicContact CD2-CG 3.86Å; L175-F531 HydrophobicContact CG-CD2 4.29Å; L175-F531 HydrophobicContact CG-CG 4.38Å |
| 176 | V | 96.8 | Very high | 95.7 | Very high | 12 Ų | 12 | 27 Ų | 27 | 7% | 0.073 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -63.8 | -43.4 | 173.4 | 171.7 | 0 | 0 | 0 | 0 | 110.1 | A172 D173 Q174 L178 C179 A180 K209 L210 H213 | A172-V176 WeakPolarHBondContact O-CG2 3.26Å; A172-V176 PolarHBondContact O-N 3.33Å; D173-V176 WeakPolarHBondContact O-CB 3.38Å; D173-V176 PolarHBondContact O-N 3.3Å; D173-V176 VanDerWaalsContact O-N 3.1Å; Q174-V176 VanDerWaalsContact C-N 3.32Å; Q174-V176 PolarHBondContact O-N 3.12Å; V176-L178 VanDerWaalsContact C-N 3.31Å; V176-L178 PolarHBondContact O-N 2.95Å; V176-C179 PolarHBondContact O-N 3.35Å; V176-A180 WeakPolarHBondContact O-CB 2.95Å; V176-A180 PolarHBondContact O-N 3Å; V176-K209 HydrophobicContact CG2-CB 3.56Å; V176-L210 HydrophobicContact CB-CD2 4.36Å; V176-L210 HydrophobicContact CG1-CD2 4.22Å; V176-L210 HydrophobicContact CG2-CD2 4.09Å; V176-L210 HydrophobicContact CG2-CG 4.03Å; V176-H213 HydrophobicContact CG1-CB 4.04Å |
| 177 | T | 96.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.012 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.2 | -35.7 | 176 | 71.3 | 0 | 0 | 0 | 0 | 113.1 | N134 S136 D173 Q174 T181 | N134-T177 HydrophobicContact CB-CG2 4.28Å; N134-T177 VanDerWaalsContact O-CB 3.28Å; N134-T177 WeakPolarHBondContact O-CB 2.98Å; S136-T177 PolarHBondContact N-OG1 2.82Å; D173-T177 WeakPolarHBondContact O-CG2 3.45Å; D173-T177 PolarHBondContact O-N 3.25Å; Q174-T177 PolarHBondContact O-N 3.04Å; Q174-T177 PolarHBondContact O-OG1 3.25Å; T177-T181 VanDerWaalsContact O-CB 3.27Å; T177-T181 WeakPolarHBondContact O-CB 3.28Å; T177-T181 PolarHBondContact O-N 3.22Å; T177-T181 PolarHBondContact O-OG1 3.11Å |
| 178 | L | 97.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -62.1 | -51.3 | 172.1 | 174.6 | 69.9 | 0 | 0 | 0 | 111.2 | L9 F137 F145 Q174 L175 V176 A180 T181 L182 I529 | L9-L178 HydrophobicContact CD2-CD1 4.08Å; F137-L178 HydrophobicContact CD1-CB 3.92Å; F137-L178 HydrophobicContact CD1-CD1 4.26Å; F137-L178 HydrophobicContact CD2-CD1 4.11Å; F137-L178 VanDerWaalsContact CE1-CA 3.49Å; F137-L178 HydrophobicContact CE1-CB 4.01Å; F137-L178 HydrophobicContact CE1-CD1 3.86Å; F137-L178 HydrophobicContact CE2-CD1 3.67Å; F137-L178 HydrophobicContact CG-CB 4.43Å; F137-L178 HydrophobicContact CG-CD1 4.38Å; F137-L178 HydrophobicContact CZ-CD1 3.53Å; F145-L178 HydrophobicContact CD1-CD1 4.41Å; F145-L178 HydrophobicContact CD1-CD2 3.64Å; F145-L178 HydrophobicContact CD2-CD2 3.95Å; F145-L178 HydrophobicContact CE1-CD2 3.32Å; F145-L178 HydrophobicContact CE2-CD2 3.66Å; F145-L178 HydrophobicContact CG-CD1 4.35Å; F145-L178 HydrophobicContact CG-CD2 3.94Å; F145-L178 HydrophobicContact CZ-CD2 3.33Å; Q174-L178 PolarHBondContact O-N 2.9Å; L175-L178 WeakPolarHBondContact O-CB 3.34Å; L175-L178 PolarHBondContact O-N 2.7Å; V176-L178 VanDerWaalsContact C-N 3.31Å; V176-L178 PolarHBondContact O-N 2.95Å; L178-A180 VanDerWaalsContact C-N 3.31Å; L178-A180 PolarHBondContact O-N 3.44Å; L178-T181 WeakPolarHBondContact O-CB 3.47Å; L178-T181 PolarHBondContact O-N 2.97Å; L178-T181 VanDerWaalsContact O-N 3.11Å; L178-L182 HydrophobicContact CD1-CD1 3.94Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CG-CD1 4Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3Å; L178-I529 HydrophobicContact CD2-CG2 3.97Å |
| 179 | C | 95.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.8 | -43.4 | 178.9 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | L175 V176 T181 L182 N183 E184 L210 Y214 | L175-C179 PolarHBondContact O-N 2.9Å; L175-C179 PolarHBondContact O-SG 3.41Å; V176-C179 PolarHBondContact O-N 3.35Å; C179-T181 VanDerWaalsContact C-N 3.33Å; C179-T181 PolarHBondContact O-N 3.02Å; C179-L182 PolarHBondContact O-N 3.29Å; C179-N183 PolarHBondContact O-N 3.02Å; C179-E184 CarbonylContact C-O 3.49Å; C179-E184 WeakPolarHBondContact CB-O 3.3Å; C179-E184 PolarHBondContact O-N 3.45Å; C179-L210 HydrophobicContact CB-CD2 3.65Å; C179-Y214 PolarHBondContact O-OH 2.66Å |
| 180 | A | 92.8 | Very high | 95.7 | Very high | 5 Ų | 5 | 17.1 Ų | 17.1 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.2 | -40.5 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | R16 V176 L178 N183 H213 | R16-A180 PolarHBondContact NH1-O 3.07Å; V176-A180 WeakPolarHBondContact O-CB 2.95Å; V176-A180 PolarHBondContact O-N 3Å; L178-A180 VanDerWaalsContact C-N 3.31Å; L178-A180 PolarHBondContact O-N 3.44Å; A180-N183 PolarHBondContact O-N 2.99Å; A180-H213 WeakPolarHBondContact CB-NE2 3.06Å |
| 181 | T | 93.4 | Very high | 95.7 | Very high | 10 Ų | 10 | 16.7 Ų | 16.7 | 6% | 0.061 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -66.4 | -40.1 | 178.1 | -63 | 0 | 0 | 0 | 0 | 112.5 | I12 V13 R16 N134 F137 T177 L178 C179 N183 | I12-T181 HydrophobicContact CG2-CG2 3.92Å; V13-T181 HydrophobicContact CG2-CG2 4.1Å; R16-T181 VanDerWaalsContact NH1-CA 3.33Å; N134-T181 PolarHBondContact O-OG1 3.3Å; F137-T181 HydrophobicContact CE1-CG2 4.22Å; F137-T181 HydrophobicContact CZ-CG2 3.99Å; T177-T181 VanDerWaalsContact O-CB 3.27Å; T177-T181 WeakPolarHBondContact O-CB 3.28Å; T177-T181 PolarHBondContact O-N 3.22Å; T177-T181 PolarHBondContact O-OG1 3.11Å; L178-T181 WeakPolarHBondContact O-CB 3.47Å; L178-T181 PolarHBondContact O-N 2.97Å; L178-T181 VanDerWaalsContact O-N 3.11Å; C179-T181 VanDerWaalsContact C-N 3.33Å; C179-T181 PolarHBondContact O-N 3.02Å; T181-N183 PolarHBondContact O-N 3.06Å |
| 182 | L | 92.4 | Very high | 95.5 | Very high | 7 Ų | 7 | 21.7 Ų | 21.7 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -75.6 | -9.2 | 174.4 | -66.7 | 174.2 | 0 | 0 | 0 | 113.2 | L9 I12 L178 C179 E184 R527 I529 I557 | L9-L182 HydrophobicContact CD2-CD2 3.76Å; L9-L182 HydrophobicContact CD2-CG 4.47Å; I12-L182 HydrophobicContact CD1-CD2 3.87Å; L178-L182 HydrophobicContact CD1-CD1 3.94Å; L178-L182 HydrophobicContact CD1-CG 4.24Å; L178-L182 HydrophobicContact CG-CD1 4Å; L178-L182 WeakPolarHBondContact O-CG 3.36Å; L178-L182 PolarHBondContact O-N 3Å; C179-L182 PolarHBondContact O-N 3.29Å; L182-E184 HydrophobicContact CB-CB 4.37Å; L182-E184 HydrophobicContact CB-CG 3.86Å; L182-E184 PolarHBondContact O-N 2.94Å; L182-R527 PolarHBondContact O-NH1 3.1Å; L182-I529 HydrophobicContact CD1-CD1 3.89Å; L182-I529 HydrophobicContact CD1-CG1 4.43Å; L182-I557 HydrophobicContact CD1-CD1 3.66Å; L182-I557 HydrophobicContact CD2-CD1 3.89Å; L182-I557 HydrophobicContact CG-CD1 4.45Å |
| 183 | N | 90.3 | Very high | 95 | Very high | 111 Ų | 111 | 24.1 Ų | 24.1 | 59% | 0.594 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 30.4 | -170.7 | -166.4 | 35.1 | 0 | 0 | 0 | 113.3 | C179 A180 T181 K223 | C179-N183 PolarHBondContact O-N 3.02Å; A180-N183 PolarHBondContact O-N 2.99Å; T181-N183 PolarHBondContact O-N 3.06Å; N183-K223 VanDerWaalsContact C-NZ 3.34Å; N183-K223 PolarHBondContact O-NZ 3.09Å; N183-K223 PolarHBondContact OD1-NZ 3.35Å |
| 184 | E | 91.4 | Very high | 94.4 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | trans | -102.7 | 141.2 | -179.2 | -65 | -63.7 | 170.2 | 0 | 0 | 112 | C179 L182 P186 Y214 T226 A228 R527 | C179-E184 CarbonylContact C-O 3.49Å; C179-E184 WeakPolarHBondContact CB-O 3.3Å; C179-E184 PolarHBondContact O-N 3.45Å; L182-E184 HydrophobicContact CB-CB 4.37Å; L182-E184 HydrophobicContact CB-CG 3.86Å; L182-E184 PolarHBondContact O-N 2.94Å; E184-P186 WeakPolarHBondContact O-CD 3.35Å; E184-Y214 WeakPolarHBondContact O-CE2 3.32Å; E184-Y214 PolarHBondContact O-OH 2.68Å; E184-T226 WeakPolarHBondContact OE2-CB 3.34Å; E184-T226 PolarHBondContact OE2-OG1 3.02Å; E184-A228 HydrophobicContact CB-CB 4.16Å; E184-A228 HydrophobicContact CG-CB 4.12Å; E184-A228 WeakPolarHBondContact OE2-CB 3.35Å; E184-R527 IonicContact OE1-CZ 3.23Å; E184-R527 IonicContact OE1-NE 2.72Å; E184-R527 IonicContact OE1-NH1 2.59Å; E184-R527 PolarHBondContact OE1-NH1 3.36Å | ||
| 185 | Y | 94 | Very high | 93.8 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 6% | 0.059 | 17% | 0.168 | C | C | . | . | trans | -119.2 | 81.3 | 167.2 | -175.7 | -167.5 | 0 | 0 | 0 | 109 | L210 A211 Y214 K223 K225 T226 | Y185-L210 HydrophobicContact CD2-CB 4.1Å; Y185-L210 HydrophobicContact CE2-CB 3.73Å; Y185-A211 WeakPolarHBondContact OH-CA 3.18Å; Y185-Y214 AromaticContact CD1-CD2 3.8Å; Y185-Y214 HydrophobicContact CD1-CD2 3.8Å; Y185-Y214 HydrophobicContact CD1-CG 4.14Å; Y185-Y214 AromaticContact CD2-CD2 3.58Å; Y185-Y214 HydrophobicContact CD2-CD2 3.58Å; Y185-Y214 AromaticContact CD2-CE2 3.95Å; Y185-Y214 HydrophobicContact CD2-CE2 3.95Å; Y185-Y214 HydrophobicContact CE1-CD2 4.32Å; Y185-Y214 HydrophobicContact CE2-CD2 4.13Å; Y185-Y214 AromaticContact CG-CD2 3.41Å; Y185-Y214 HydrophobicContact CG-CD2 3.41Å; Y185-Y214 VanDerWaalsContact CG-CD2 3.41Å; Y185-Y214 AromaticContact CG-CE2 3.78Å; Y185-Y214 HydrophobicContact CG-CE2 3.78Å; Y185-Y214 HydrophobicContact CG-CG 4.17Å; Y185-K223 WeakPolarHBondContact CD1-O 3.34Å; Y185-K225 HydrophobicContact CD1-CB 4.4Å; Y185-K225 HydrophobicContact CD1-CG 3.75Å; Y185-K225 HydrophobicContact CD2-CG 4.02Å; Y185-K225 HydrophobicContact CE1-CG 3.71Å; Y185-K225 HydrophobicContact CE2-CG 3.98Å; Y185-K225 HydrophobicContact CG-CG 3.91Å; Y185-K225 CarbonylContact O-C 3.56Å; Y185-K225 WeakPolarHBondContact O-CA 3.47Å; Y185-K225 WeakPolarHBondContact O-CB 3.38Å; Y185-T226 PolarHBondContact N-OG1 2.78Å; Y185-T226 VanDerWaalsContact N-OG1 3.11Å; Y185-T226 PolarHBondContact O-N 3.38Å; Y185-T226 PolarHBondContact O-OG1 2.89Å | ||
| 186 | P | 95.5 | Very high | 93.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -74.8 | 161.2 | -168 | 29.5 | -35.6 | 0 | 0 | 0 | 113.8 | E184 L210 K225 A228 L230 | E184-P186 WeakPolarHBondContact O-CD 3.35Å; P186-L210 HydrophobicContact CG-CD1 4.11Å; P186-K225 PolarHBondContact O-NZ 3.21Å; P186-A228 CarbonylContact C-O 3.54Å; P186-A228 WeakPolarHBondContact CA-O 3.28Å; P186-A228 HydrophobicContact CB-CB 3.97Å; P186-A228 VanDerWaalsContact CB-O 3.32Å; P186-A228 WeakPolarHBondContact CB-O 3.26Å; P186-L230 HydrophobicContact CB-CB 4.07Å; P186-L230 HydrophobicContact CG-CB 3.94Å |
| 187 | G | 96.1 | Very high | 93.1 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 133.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | A228 Q229 L230 S496 | G187-A228 PolarHBondContact N-O 2.91Å; G187-Q229 WeakPolarHBondContact O-CA 3.46Å; G187-L230 PolarHBondContact O-N 3.47Å; G187-S496 CarbonylContact C-O 3.51Å; G187-S496 WeakPolarHBondContact CA-O 3.15Å |
| 188 | V | 98.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 129.4 | -174.9 | -174.4 | 0 | 0 | 0 | 0 | 109.8 | A203 V206 D207 L210 L230 I232 Q495 S496 | V188-A203 HydrophobicContact CG1-CB 3.73Å; V188-V206 HydrophobicContact CG2-CG1 4.43Å; V188-D207 HydrophobicContact CB-CB 4.35Å; V188-D207 HydrophobicContact CG2-CB 4.06Å; V188-L210 HydrophobicContact CG2-CD1 4.16Å; V188-L230 HydrophobicContact CG2-CD2 4.36Å; V188-I232 HydrophobicContact CG1-CD1 4.05Å; V188-Q495 HydrophobicContact CB-CB 4.12Å; V188-Q495 HydrophobicContact CG1-CB 4.23Å; V188-Q495 WeakPolarHBondContact O-CB 3.41Å; V188-Q495 PolarHBondContact O-N 3.15Å; V188-S496 PolarHBondContact N-O 3.45Å; V188-S496 PolarHBondContact N-OG 3.47Å; V188-S496 VanDerWaalsContact N-OG 3.13Å; V188-S496 PolarHBondContact O-N 2.83Å; V188-S496 VanDerWaalsContact O-N 3.16Å |
| 189 | R | 97.9 | Very high | 93.1 | Very high | 11 Ų | 11 | 38.7 Ų | 38.7 | 4% | 0.042 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 157.6 | 171.8 | -56.1 | 177.3 | 72.2 | 172.2 | 2.6 | 109.6 | L230 L231 I232 L487 W492 P493 H494 | R189-L230 PolarHBondContact N-O 3.13Å; R189-L231 HydrophobicContact CB-CD2 3.7Å; R189-L231 HydrophobicContact CG-CD2 4.18Å; R189-L231 WeakPolarHBondContact O-CA 3.37Å; R189-I232 PolarHBondContact O-N 2.78Å; R189-L487 PolarHBondContact NH2-O 2.8Å; R189-W492 VanDerWaalsContact CZ-O 3.28Å; R189-W492 PolarHBondContact NE-O 2.96Å; R189-W492 PolarHBondContact NH2-O 3.03Å; R189-P493 WeakPolarHBondContact CA-O 2.99Å; R189-H494 VanDerWaalsContact CD-CE1 3.49Å; R189-H494 WeakPolarHBondContact CD-CE1 3.27Å |
| 190 | Y | 98 | Very high | 93.2 | Very high | 27 Ų | 27 | 42.1 Ų | 42.1 | 11% | 0.106 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 152.5 | 176.1 | 60.8 | -87.1 | 0 | 0 | 0 | 111.2 | K192 K200 A203 I232 W492 P493 Q495 | Y190-K192 HydrophobicContact CE2-CB 4.47Å; Y190-K192 PolarHBondContact O-N 2.71Å; Y190-K200 HydrophobicContact CD2-CB 3.85Å; Y190-K200 HydrophobicContact CD2-CG 4.44Å; Y190-K200 HydrophobicContact CE1-CB 4.5Å; Y190-K200 HydrophobicContact CE1-CG 4.13Å; Y190-K200 HydrophobicContact CE2-CB 3.62Å; Y190-K200 HydrophobicContact CE2-CD 4.2Å; Y190-K200 HydrophobicContact CE2-CG 3.83Å; Y190-K200 HydrophobicContact CG-CB 4.4Å; Y190-A203 HydrophobicContact CD1-CB 3.74Å; Y190-A203 HydrophobicContact CG-CB 4.16Å; Y190-I232 CarbonylContact C-O 3.59Å; Y190-I232 VanDerWaalsContact CA-O 3.22Å; Y190-I232 WeakPolarHBondContact CA-O 3.36Å; Y190-W492 WeakPolarHBondContact O-CA 3.48Å; Y190-P493 HydrophobicContact CD1-CG 4.39Å; Y190-P493 HydrophobicContact CD2-CG 4.14Å; Y190-P493 HydrophobicContact CE1-CB 4.45Å; Y190-P493 HydrophobicContact CE1-CG 3.84Å; Y190-P493 HydrophobicContact CE2-CG 3.54Å; Y190-P493 PolarHBondContact N-O 3.5Å; Y190-P493 WeakPolarHBondContact O-CD 3.41Å; Y190-Q495 HydrophobicContact CD1-CB 4.46Å |
| 191 | K | 96.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 44.5 Ų | 44.5 | 23% | 0.226 | 22% | 0.223 | C | C | . | . | trans | -69.7 | 119.2 | 168.3 | -178.5 | 71 | -169.5 | 82.9 | 0 | 108.5 | D193 I232 V233 D491 W492 | K191-D193 PolarHBondContact O-N 3.02Å; K191-I232 PolarHBondContact N-O 2.86Å; K191-V233 HydrophobicContact CB-CB 4.33Å; K191-V233 HydrophobicContact CB-CG2 3.85Å; K191-V233 HydrophobicContact CG-CG2 4.4Å; K191-D491 PolarHBondContact NZ-O 3.28Å; K191-D491 IonicContact NZ-OD1 2.88Å; K191-W492 HydrophobicContact CB-CD2 4.35Å; K191-W492 HydrophobicContact CB-CE3 3.99Å; K191-W492 HydrophobicContact CB-CH2 3.74Å; K191-W492 HydrophobicContact CB-CZ2 4.11Å; K191-W492 HydrophobicContact CB-CZ3 3.66Å; K191-W492 HydrophobicContact CD-CD2 4.02Å; K191-W492 VanDerWaalsContact CD-CE2 3.48Å; K191-W492 HydrophobicContact CD-CH2 4.07Å; K191-W492 HydrophobicContact CD-CZ2 3.52Å; K191-W492 HydrophobicContact CG-CH2 4.37Å; K191-W492 HydrophobicContact CG-CZ2 4.3Å | ||
| 192 | K | 94 | Very high | 93.7 | Very high | 105 Ų | 105 | 44 Ų | 44 | 46% | 0.457 | 22% | 0.22 | S | C | . | . | trans | -71.4 | 127 | 170.6 | -173.7 | 179.6 | 178.7 | -177.9 | 0 | 109.7 | Y190 D491 P493 | Y190-K192 HydrophobicContact CE2-CB 4.47Å; Y190-K192 PolarHBondContact O-N 2.71Å; K192-D491 PolarHBondContact N-O 2.83Å; K192-P493 HydrophobicContact CB-CG 4.19Å | ||
| 193 | D | 88.3 | Confident | 94 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 28% | 0.278 | 22% | 0.218 | S | C | . | . | trans | -128.2 | 144 | 168.5 | -162.3 | -48.8 | 0 | 0 | 0 | 108.3 | K191 N195 M196 Q197 | K191-D193 PolarHBondContact O-N 3.02Å; D193-N195 WeakPolarHBondContact OD1-CB 3.15Å; D193-N195 PolarHBondContact OD1-N 3.41Å; D193-M196 HydrophobicContact CB-CB 4.45Å; D193-M196 VanDerWaalsContact O-O 3.06Å; D193-M196 PolarHBondContact OD1-N 2.93Å; D193-Q197 PolarHBondContact O-NE2 3Å | ||
| 194 | N | 83.6 | Confident | 94.4 | Very high | 136 Ų | 136 | 41.8 Ų | 41.8 | 73% | 0.727 | 21% | 0.205 | S | C | * | . | S | Bend | trans | -86.2 | -26.9 | 178 | -67.6 | -28 | 0 | 0 | 0 | 111.8 | ||
| 195 | N | 83.4 | Confident | 94.7 | Very high | 132 Ų | 132 | 42.6 Ų | 42.6 | 71% | 0.706 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -88 | -25 | -178 | -61.1 | -30.4 | 0 | 0 | 0 | 111.9 | D193 | D193-N195 WeakPolarHBondContact OD1-CB 3.15Å; D193-N195 PolarHBondContact OD1-N 3.41Å |
| 196 | M | 87.8 | Confident | 94.9 | Very high | 22 Ų | 22 | 41.9 Ų | 41.9 | 11% | 0.108 | 21% | 0.207 | C | C | . | . | trans | -131.7 | 144.6 | -177 | -54.6 | -158.7 | 79.9 | 0 | 0 | 111.9 | Y157 D193 N198 E234 E439 | Y157-M196 HydrophobicContact CD1-CE 3.65Å; Y157-M196 HydrophobicContact CE1-CE 3.68Å; Y157-M196 HydrophobicContact CE1-SD 4.22Å; D193-M196 HydrophobicContact CB-CB 4.45Å; D193-M196 VanDerWaalsContact O-O 3.06Å; D193-M196 PolarHBondContact OD1-N 2.93Å; M196-N198 VanDerWaalsContact CE-ND2 3.3Å; M196-N198 WeakPolarHBondContact CE-ND2 3.24Å; M196-E234 WeakPolarHBondContact CB-OE1 3.4Å; M196-E234 WeakPolarHBondContact CB-OE2 3.45Å; M196-E234 VanDerWaalsContact CE-OE2 3.27Å; M196-E234 WeakPolarHBondContact CE-OE2 3.46Å; M196-E439 WeakPolarHBondContact CE-O 3.33Å | ||
| 197 | Q | 93.1 | Very high | 95 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 41% | 0.411 | 21% | 0.213 | S | C | . | . | trans | -124.7 | 3 | -176.9 | -62.1 | -59.8 | -48.9 | 0 | 0 | 113 | D193 A199 K200 T201 | D193-Q197 PolarHBondContact O-NE2 3Å; Q197-A199 VanDerWaalsContact C-N 3.32Å; Q197-A199 PolarHBondContact O-N 3.45Å; Q197-K200 PolarHBondContact O-N 3.36Å; Q197-T201 PolarHBondContact O-N 3.34Å; Q197-T201 PolarHBondContact O-OG1 3.44Å; Q197-T201 VanDerWaalsContact O-OG1 3.06Å | ||
| 198 | N | 96.4 | Very high | 95 | Very high | 15 Ų | 15 | 47 Ų | 47 | 8% | 0.08 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.8 | -39.8 | -175.7 | -47.4 | -58.1 | 0 | 0 | 0 | 111.3 | I156 L168 M196 K200 T201 L202 E234 I533 | I156-N198 HydrophobicContact CG2-CB 4.33Å; L168-N198 HydrophobicContact CD1-CB 4.41Å; M196-N198 VanDerWaalsContact CE-ND2 3.3Å; M196-N198 WeakPolarHBondContact CE-ND2 3.24Å; N198-K200 PolarHBondContact O-N 3.49Å; N198-T201 PolarHBondContact O-N 3.5Å; N198-L202 VanDerWaalsContact O-CB 3.32Å; N198-L202 WeakPolarHBondContact O-CB 3.26Å; N198-L202 PolarHBondContact O-N 3.31Å; N198-E234 WeakPolarHBondContact CA-OE1 3.46Å; N198-E234 HydrophobicContact CB-CG 4.47Å; N198-E234 WeakPolarHBondContact CB-OE1 3.36Å; N198-E234 PolarHBondContact N-OE1 3.44Å; N198-E234 PolarHBondContact ND2-OE1 3.13Å; N198-E234 PolarHBondContact ND2-OE2 3.33Å; N198-I533 HydrophobicContact CB-CD1 4.23Å |
| 199 | A | 97.6 | Very high | 94.9 | Very high | 2 Ų | 2 | 48.9 Ų | 48.9 | 2% | 0.017 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.9 | -40.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q197 A203 I232 E234 I533 | Q197-A199 VanDerWaalsContact C-N 3.32Å; Q197-A199 PolarHBondContact O-N 3.45Å; A199-A203 VanDerWaalsContact O-CB 3.31Å; A199-A203 WeakPolarHBondContact O-CB 3.43Å; A199-A203 PolarHBondContact O-N 3.04Å; A199-I232 HydrophobicContact CB-CG2 3.97Å; A199-E234 HydrophobicContact CB-CG 3.67Å; A199-E234 PolarHBondContact N-OE1 3.12Å; A199-I533 HydrophobicContact CB-CD1 4.31Å |
| 200 | K | 97.6 | Very high | 94.7 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -65.3 | -50.4 | 175.1 | 179.5 | 179.6 | 170.8 | -171.8 | 0 | 111.1 | Y190 Q197 N198 L202 A203 E204 | Y190-K200 HydrophobicContact CD2-CB 3.85Å; Y190-K200 HydrophobicContact CD2-CG 4.44Å; Y190-K200 HydrophobicContact CE1-CB 4.5Å; Y190-K200 HydrophobicContact CE1-CG 4.13Å; Y190-K200 HydrophobicContact CE2-CB 3.62Å; Y190-K200 HydrophobicContact CE2-CD 4.2Å; Y190-K200 HydrophobicContact CE2-CG 3.83Å; Y190-K200 HydrophobicContact CG-CB 4.4Å; Q197-K200 PolarHBondContact O-N 3.36Å; N198-K200 PolarHBondContact O-N 3.49Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-L202 PolarHBondContact O-N 2.97Å; K200-A203 WeakPolarHBondContact O-CB 3.33Å; K200-A203 PolarHBondContact O-N 2.79Å; K200-A203 VanDerWaalsContact O-N 3.14Å; K200-E204 WeakPolarHBondContact CE-OE1 3.49Å; K200-E204 IonicContact NZ-OE1 3.46Å; K200-E204 WeakPolarHBondContact O-CG 3.36Å; K200-E204 PolarHBondContact O-N 3.32Å |
| 201 | T | 98 | Very high | 94.5 | Very high | 56 Ų | 56 | 48 Ų | 48 | 34% | 0.344 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.8 | -44.5 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | L168 Q197 N198 E204 L205 | L168-T201 HydrophobicContact CD1-CG2 4.03Å; Q197-T201 PolarHBondContact O-N 3.34Å; Q197-T201 PolarHBondContact O-OG1 3.44Å; Q197-T201 VanDerWaalsContact O-OG1 3.06Å; N198-T201 PolarHBondContact O-N 3.5Å; T201-E204 PolarHBondContact O-N 3.34Å; T201-L205 HydrophobicContact CG2-CD1 4.22Å; T201-L205 VanDerWaalsContact O-CG 3.29Å; T201-L205 WeakPolarHBondContact O-CG 3.5Å; T201-L205 PolarHBondContact O-N 2.9Å |
| 202 | L | 98.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65 | -40.4 | 177 | -175.6 | 60.2 | 0 | 0 | 0 | 111.8 | L168 L171 A172 L175 N198 K200 L205 V206 I232 F531 I533 | L168-L202 HydrophobicContact CD2-CB 4.41Å; L168-L202 VanDerWaalsContact O-CD1 3.3Å; L168-L202 WeakPolarHBondContact O-CD1 3.39Å; L171-L202 HydrophobicContact CB-CD1 4.15Å; A172-L202 HydrophobicContact CB-CD1 3.88Å; L175-L202 HydrophobicContact CD1-CD2 4.2Å; L175-L202 HydrophobicContact CD1-CG 4.44Å; N198-L202 VanDerWaalsContact O-CB 3.32Å; N198-L202 WeakPolarHBondContact O-CB 3.26Å; N198-L202 PolarHBondContact O-N 3.31Å; K200-L202 VanDerWaalsContact C-N 3.31Å; K200-L202 PolarHBondContact O-N 2.97Å; L202-L205 PolarHBondContact O-N 3.33Å; L202-V206 HydrophobicContact CD1-CG2 4.1Å; L202-V206 HydrophobicContact CG-CG2 4.28Å; L202-V206 WeakPolarHBondContact O-CB 3.34Å; L202-V206 VanDerWaalsContact O-CG2 3.23Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.5Å; L202-I232 HydrophobicContact CB-CG2 4.28Å; L202-I232 HydrophobicContact CD2-CG2 3.92Å; L202-I232 HydrophobicContact CG-CD1 4.17Å; L202-I232 HydrophobicContact CG-CG2 4.33Å; L202-F531 HydrophobicContact CD2-CD1 3.72Å; L202-F531 HydrophobicContact CD2-CE1 3.64Å; L202-I533 HydrophobicContact CB-CD1 4.21Å; L202-I533 HydrophobicContact CD2-CD1 3.71Å; L202-I533 HydrophobicContact CD2-CG1 3.75Å |
| 203 | A | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V188 Y190 A199 K200 V206 D207 I232 Q495 | V188-A203 HydrophobicContact CG1-CB 3.73Å; Y190-A203 HydrophobicContact CD1-CB 3.74Å; Y190-A203 HydrophobicContact CG-CB 4.16Å; A199-A203 VanDerWaalsContact O-CB 3.31Å; A199-A203 WeakPolarHBondContact O-CB 3.43Å; A199-A203 PolarHBondContact O-N 3.04Å; K200-A203 WeakPolarHBondContact O-CB 3.33Å; K200-A203 PolarHBondContact O-N 2.79Å; K200-A203 VanDerWaalsContact O-N 3.14Å; A203-V206 PolarHBondContact O-N 3.06Å; A203-D207 WeakPolarHBondContact O-CB 3.32Å; A203-D207 PolarHBondContact O-N 3.34Å; A203-I232 HydrophobicContact CB-CD1 3.87Å; A203-Q495 HydrophobicContact CB-CB 4.28Å |
| 204 | E | 98.4 | Very high | 93.9 | Very high | 70 Ų | 70 | 51.1 Ų | 51.1 | 33% | 0.327 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.2 | -45.6 | 174.7 | -72.3 | 174.1 | -178.6 | 0 | 0 | 111.5 | K200 T201 N208 | K200-E204 WeakPolarHBondContact CE-OE1 3.49Å; K200-E204 IonicContact NZ-OE1 3.46Å; K200-E204 WeakPolarHBondContact O-CG 3.36Å; K200-E204 PolarHBondContact O-N 3.32Å; T201-E204 PolarHBondContact O-N 3.34Å; E204-N208 WeakPolarHBondContact O-CB 3.48Å; E204-N208 VanDerWaalsContact O-CG 3.24Å; E204-N208 PolarHBondContact O-N 3.23Å; E204-N208 VanDerWaalsContact O-N 3.08Å; E204-N208 PolarHBondContact O-ND2 3.21Å |
| 205 | L | 98.5 | Very high | 93.8 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.1 | -47.4 | 177 | -72.7 | 171.7 | 0 | 0 | 0 | 111.8 | L168 E169 A172 T201 L202 K209 | L168-L205 HydrophobicContact CB-CD1 4.04Å; E169-L205 HydrophobicContact CG-CD1 4.01Å; E169-L205 HydrophobicContact CG-CD2 4.13Å; A172-L205 HydrophobicContact CB-CB 3.74Å; T201-L205 HydrophobicContact CG2-CD1 4.22Å; T201-L205 VanDerWaalsContact O-CG 3.29Å; T201-L205 WeakPolarHBondContact O-CG 3.5Å; T201-L205 PolarHBondContact O-N 2.9Å; L202-L205 PolarHBondContact O-N 3.33Å; L205-K209 WeakPolarHBondContact O-CB 3.29Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.36Å; L205-K209 PolarHBondContact O-N 3.34Å |
| 206 | V | 98.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.7 | -46.5 | -179.5 | 172.1 | 0 | 0 | 0 | 0 | 111 | A172 L175 V188 L202 A203 N208 K209 L210 L230 I232 | A172-V206 HydrophobicContact CB-CG2 3.73Å; L175-V206 HydrophobicContact CB-CG2 4.07Å; L175-V206 HydrophobicContact CD1-CG2 3.73Å; V188-V206 HydrophobicContact CG2-CG1 4.43Å; L202-V206 HydrophobicContact CD1-CG2 4.1Å; L202-V206 HydrophobicContact CG-CG2 4.28Å; L202-V206 WeakPolarHBondContact O-CB 3.34Å; L202-V206 VanDerWaalsContact O-CG2 3.23Å; L202-V206 WeakPolarHBondContact O-CG2 3.36Å; L202-V206 PolarHBondContact O-N 3.5Å; A203-V206 PolarHBondContact O-N 3.06Å; V206-N208 PolarHBondContact O-N 3.04Å; V206-K209 PolarHBondContact O-N 2.95Å; V206-L210 HydrophobicContact CG1-CD1 3.66Å; V206-L210 HydrophobicContact CG1-CG 4.09Å; V206-L210 WeakPolarHBondContact O-CB 3.2Å; V206-L210 VanDerWaalsContact O-CG 3.26Å; V206-L210 WeakPolarHBondContact O-CG 3.41Å; V206-L210 PolarHBondContact O-N 3.38Å; V206-L230 HydrophobicContact CG1-CD2 3.6Å; V206-I232 HydrophobicContact CG2-CD1 4.36Å |
| 207 | D | 97.2 | Very high | 91 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 11% | 0.112 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.4 | -42.6 | -178.8 | -169.9 | 60.8 | 0 | 0 | 0 | 111.9 | V188 A203 L210 A211 K225 Q495 S496 | V188-D207 HydrophobicContact CB-CB 4.35Å; V188-D207 HydrophobicContact CG2-CB 4.06Å; A203-D207 WeakPolarHBondContact O-CB 3.32Å; A203-D207 PolarHBondContact O-N 3.34Å; D207-L210 PolarHBondContact O-N 2.82Å; D207-A211 WeakPolarHBondContact O-CB 3.28Å; D207-A211 PolarHBondContact O-N 3.36Å; D207-K225 IonicContact OD1-NZ 3.42Å; D207-K225 PolarHBondContact OD1-NZ 2.92Å; D207-Q495 HydrophobicContact CB-CG 3.67Å; D207-S496 VanDerWaalsContact CG-OG 3.29Å; D207-S496 WeakPolarHBondContact OD1-CB 3.37Å; D207-S496 PolarHBondContact OD1-OG 3.28Å |
| 208 | N | 96.4 | Very high | 89.1 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 47% | 0.471 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 175.2 | -74.9 | -36.7 | 0 | 0 | 0 | 112.3 | E204 V206 A211 R212 | E204-N208 WeakPolarHBondContact O-CB 3.48Å; E204-N208 VanDerWaalsContact O-CG 3.24Å; E204-N208 PolarHBondContact O-N 3.23Å; E204-N208 VanDerWaalsContact O-N 3.08Å; E204-N208 PolarHBondContact O-ND2 3.21Å; V206-N208 PolarHBondContact O-N 3.04Å; N208-A211 PolarHBondContact O-N 3.04Å; N208-R212 WeakPolarHBondContact O-CG 3.23Å; N208-R212 PolarHBondContact O-N 3.13Å; N208-R212 VanDerWaalsContact O-N 3.12Å |
| 209 | K | 95.6 | Very high | 87.3 | Confident | 39 Ų | 39 | 60.6 Ų | 60.6 | 17% | 0.17 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 179.4 | -71.1 | -179.9 | 176.9 | -161.9 | 0 | 112.1 | E169 A172 D173 V176 L205 V206 R212 H213 | E169-K209 PolarHBondContact O-NZ 3.16Å; A172-K209 HydrophobicContact CB-CD 3.95Å; D173-K209 VanDerWaalsContact OD1-CD 3.27Å; D173-K209 WeakPolarHBondContact OD1-CD 3.45Å; D173-K209 WeakPolarHBondContact OD1-CE 3.39Å; D173-K209 IonicContact OD1-NZ 3.71Å; D173-K209 PolarHBondContact OD1-NZ 2.99Å; D173-K209 IonicContact OD2-NZ 3.99Å; D173-K209 PolarHBondContact OD2-NZ 3.2Å; V176-K209 HydrophobicContact CG2-CB 3.56Å; L205-K209 WeakPolarHBondContact O-CB 3.29Å; L205-K209 VanDerWaalsContact O-CG 3.26Å; L205-K209 WeakPolarHBondContact O-CG 3.36Å; L205-K209 PolarHBondContact O-N 3.34Å; V206-K209 PolarHBondContact O-N 2.95Å; K209-R212 PolarHBondContact O-N 3.25Å; K209-H213 WeakPolarHBondContact O-CB 3.3Å; K209-H213 PolarHBondContact O-N 3.02Å |
| 210 | L | 94.4 | Very high | 85.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -62.7 | -42.5 | 172.5 | -74.7 | 171.7 | 0 | 0 | 0 | 111.6 | V176 C179 Y185 P186 V188 V206 D207 R212 H213 Y214 | V176-L210 HydrophobicContact CB-CD2 4.36Å; V176-L210 HydrophobicContact CG1-CD2 4.22Å; V176-L210 HydrophobicContact CG2-CD2 4.09Å; V176-L210 HydrophobicContact CG2-CG 4.03Å; C179-L210 HydrophobicContact CB-CD2 3.65Å; Y185-L210 HydrophobicContact CD2-CB 4.1Å; Y185-L210 HydrophobicContact CE2-CB 3.73Å; P186-L210 HydrophobicContact CG-CD1 4.11Å; V188-L210 HydrophobicContact CG2-CD1 4.16Å; V206-L210 HydrophobicContact CG1-CD1 3.66Å; V206-L210 HydrophobicContact CG1-CG 4.09Å; V206-L210 WeakPolarHBondContact O-CB 3.2Å; V206-L210 VanDerWaalsContact O-CG 3.26Å; V206-L210 WeakPolarHBondContact O-CG 3.41Å; V206-L210 PolarHBondContact O-N 3.38Å; D207-L210 PolarHBondContact O-N 2.82Å; L210-R212 PolarHBondContact O-N 2.98Å; L210-H213 PolarHBondContact O-N 2.71Å; L210-Y214 HydrophobicContact CD2-CE2 4.09Å; L210-Y214 WeakPolarHBondContact O-CB 3.32Å; L210-Y214 WeakPolarHBondContact O-CD2 3.25Å; L210-Y214 PolarHBondContact O-N 2.96Å |
| 211 | A | 92.8 | Very high | 84 | Confident | 19 Ų | 19 | 67.5 Ų | 67.5 | 16% | 0.157 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y185 D207 N208 H213 Y214 E215 | Y185-A211 WeakPolarHBondContact OH-CA 3.18Å; D207-A211 WeakPolarHBondContact O-CB 3.28Å; D207-A211 PolarHBondContact O-N 3.36Å; N208-A211 PolarHBondContact O-N 3.04Å; A211-H213 PolarHBondContact O-N 3.45Å; A211-Y214 PolarHBondContact O-N 3.1Å; A211-E215 WeakPolarHBondContact O-CB 3.29Å; A211-E215 WeakPolarHBondContact O-CG 3.14Å; A211-E215 PolarHBondContact O-N 2.74Å |
| 212 | R | 91.1 | Very high | 82.9 | Confident | 186 Ų | 186 | 71 Ų | 71 | 70% | 0.702 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -62.1 | -43.3 | 176 | -69.2 | 175.8 | -174.2 | 173.3 | 2.8 | 112.8 | N208 K209 L210 Y214 E215 | N208-R212 WeakPolarHBondContact O-CG 3.23Å; N208-R212 PolarHBondContact O-N 3.13Å; N208-R212 VanDerWaalsContact O-N 3.12Å; K209-R212 PolarHBondContact O-N 3.25Å; L210-R212 PolarHBondContact O-N 2.98Å; R212-Y214 VanDerWaalsContact C-N 3.26Å; R212-Y214 PolarHBondContact O-N 2.97Å; R212-E215 PolarHBondContact O-N 2.87Å |
| 213 | H | 88.6 | Confident | 82.1 | Confident | 68 Ų | 68 | 73.5 Ų | 73.5 | 32% | 0.315 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -62.4 | -33.5 | -179.7 | -173.1 | 77.8 | 0 | 0 | 0 | 112.6 | V176 A180 K209 L210 A211 | V176-H213 HydrophobicContact CG1-CB 4.04Å; A180-H213 WeakPolarHBondContact CB-NE2 3.06Å; K209-H213 WeakPolarHBondContact O-CB 3.3Å; K209-H213 PolarHBondContact O-N 3.02Å; L210-H213 PolarHBondContact O-N 2.71Å; A211-H213 PolarHBondContact O-N 3.45Å |
| 214 | Y | 87.2 | Confident | 81.6 | Confident | 21 Ų | 21 | 81 Ų | 81 | 8% | 0.082 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -104.2 | 5.3 | -176.5 | -71.9 | -52.3 | 0 | 0 | 0 | 114.8 | C179 E184 Y185 L210 A211 R212 K223 | C179-Y214 PolarHBondContact O-OH 2.66Å; E184-Y214 WeakPolarHBondContact O-CE2 3.32Å; E184-Y214 PolarHBondContact O-OH 2.68Å; Y185-Y214 AromaticContact CD1-CD2 3.8Å; Y185-Y214 HydrophobicContact CD1-CD2 3.8Å; Y185-Y214 HydrophobicContact CD1-CG 4.14Å; Y185-Y214 AromaticContact CD2-CD2 3.58Å; Y185-Y214 HydrophobicContact CD2-CD2 3.58Å; Y185-Y214 AromaticContact CD2-CE2 3.95Å; Y185-Y214 HydrophobicContact CD2-CE2 3.95Å; Y185-Y214 HydrophobicContact CE1-CD2 4.32Å; Y185-Y214 HydrophobicContact CE2-CD2 4.13Å; Y185-Y214 AromaticContact CG-CD2 3.41Å; Y185-Y214 HydrophobicContact CG-CD2 3.41Å; Y185-Y214 VanDerWaalsContact CG-CD2 3.41Å; Y185-Y214 AromaticContact CG-CE2 3.78Å; Y185-Y214 HydrophobicContact CG-CE2 3.78Å; Y185-Y214 HydrophobicContact CG-CG 4.17Å; L210-Y214 HydrophobicContact CD2-CE2 4.09Å; L210-Y214 WeakPolarHBondContact O-CB 3.32Å; L210-Y214 WeakPolarHBondContact O-CD2 3.25Å; L210-Y214 PolarHBondContact O-N 2.96Å; A211-Y214 PolarHBondContact O-N 3.1Å; R212-Y214 VanDerWaalsContact C-N 3.26Å; R212-Y214 PolarHBondContact O-N 2.97Å; Y214-K223 HydrophobicContact CD1-CB 4.07Å; Y214-K223 HydrophobicContact CD1-CD 3.36Å; Y214-K223 HydrophobicContact CD1-CG 4.31Å; Y214-K223 HydrophobicContact CE1-CD 3.36Å; Y214-K223 HydrophobicContact CG-CB 4.3Å; Y214-K223 HydrophobicContact CG-CD 4.04Å; Y214-K223 PolarHBondContact O-N 2.92Å; Y214-K223 PolarHBondContact OH-NZ 3.41Å |
| 215 | E | 80.3 | Confident | 81.2 | Confident | 96 Ų | 96 | 79.8 Ų | 79.8 | 45% | 0.449 | 41% | 0.406 | S | S | . | . | S | Bend | trans | -74.2 | -24.9 | 178.1 | -99.4 | 167.7 | -170.9 | 0 | 0 | 113.4 | A211 R212 | A211-E215 WeakPolarHBondContact O-CB 3.29Å; A211-E215 WeakPolarHBondContact O-CG 3.14Å; A211-E215 PolarHBondContact O-N 2.74Å; R212-E215 PolarHBondContact O-N 2.87Å |
| 216 | L | 57.3 | Low | 80.8 | Confident | 156 Ų | 156 | 79.5 Ų | 79.5 | 82% | 0.817 | 41% | 0.406 | S | S | * | . | trans | -133.9 | 106.8 | -176.5 | -65.5 | 168.9 | 0 | 0 | 0 | 110.9 | ||||
| 217 | D | 56 | Low | 80.4 | Confident | 70 Ų | 70 | 83.1 Ų | 83.1 | 37% | 0.374 | 42% | 0.423 | S | S | . | . | trans | -94.7 | 157.3 | 156 | 79 | 12.1 | 0 | 0 | 0 | 110 | S219 G220 K221 | D217-S219 PolarHBondContact O-N 2.71Å; D217-S219 VanDerWaalsContact OD1-CA 3.24Å; D217-S219 WeakPolarHBondContact OD1-CA 3.33Å; D217-S219 WeakPolarHBondContact OD1-CB 3.37Å; D217-S219 PolarHBondContact OD1-N 3.37Å; D217-S219 PolarHBondContact OD1-OG 2.94Å; D217-S219 PolarHBondContact OD2-OG 3.05Å; D217-G220 PolarHBondContact O-N 2.97Å; D217-G220 VanDerWaalsContact O-N 3.07Å; D217-G220 PolarHBondContact OD1-N 2.92Å; D217-K221 PolarHBondContact OD1-N 3.13Å; D217-K221 VanDerWaalsContact OD2-O 3.11Å | ||
| 218 | D | 52.5 | Low | 80.3 | Confident | 187 Ų | 187 | 82.1 Ų | 82.1 | 100% | 1 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -8.6 | 177.8 | -72.8 | -33.1 | 0 | 0 | 0 | 113.4 | ||
| 219 | S | 58.9 | Low | 80.2 | Confident | 82 Ų | 82 | 79 Ų | 79 | 57% | 0.573 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.5 | 0.1 | -178.8 | 84.3 | 0 | 0 | 0 | 0 | 114.2 | D217 K221 | D217-S219 PolarHBondContact O-N 2.71Å; D217-S219 VanDerWaalsContact OD1-CA 3.24Å; D217-S219 WeakPolarHBondContact OD1-CA 3.33Å; D217-S219 WeakPolarHBondContact OD1-CB 3.37Å; D217-S219 PolarHBondContact OD1-N 3.37Å; D217-S219 PolarHBondContact OD1-OG 2.94Å; D217-S219 PolarHBondContact OD2-OG 3.05Å; S219-K221 VanDerWaalsContact C-N 3.31Å; S219-K221 PolarHBondContact O-N 2.97Å |
| 220 | G | 60.3 | Low | 80.4 | Confident | 72 Ų | 72 | 77.1 Ų | 77.1 | 74% | 0.742 | 39% | 0.392 | S | S | * | . | S | Bend | trans | 71.3 | 17.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | D217 | D217-G220 PolarHBondContact O-N 2.97Å; D217-G220 VanDerWaalsContact O-N 3.07Å; D217-G220 PolarHBondContact OD1-N 2.92Å |
| 221 | K | 66.1 | Low | 80.6 | Confident | 148 Ų | 148 | 77.1 Ų | 77.1 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | trans | -104.6 | 124.1 | 176.7 | -71.8 | -180 | -178.7 | 170.2 | 0 | 110.5 | D217 S219 K223 | D217-K221 PolarHBondContact OD1-N 3.13Å; D217-K221 VanDerWaalsContact OD2-O 3.11Å; S219-K221 VanDerWaalsContact C-N 3.31Å; S219-K221 PolarHBondContact O-N 2.97Å; K221-K223 PolarHBondContact O-N 2.83Å | ||
| 222 | K | 74.9 | Confident | 80.8 | Confident | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.557 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -68 | 127.5 | 172.8 | -171.3 | 167.5 | -176.2 | 163.8 | 0 | 109.4 | E224 | K222-E224 PolarHBondContact O-N 3.13Š|
| 223 | K | 82.1 | Confident | 81.1 | Confident | 53 Ų | 53 | 67.4 Ų | 67.4 | 23% | 0.23 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -71.1 | 127.2 | 173 | -169.1 | -176.5 | -179.6 | 179.5 | 0 | 108.7 | N183 Y185 Y214 K221 | N183-K223 VanDerWaalsContact C-NZ 3.34Å; N183-K223 PolarHBondContact O-NZ 3.09Å; N183-K223 PolarHBondContact OD1-NZ 3.35Å; Y185-K223 WeakPolarHBondContact CD1-O 3.34Å; Y214-K223 HydrophobicContact CD1-CB 4.07Å; Y214-K223 HydrophobicContact CD1-CD 3.36Å; Y214-K223 HydrophobicContact CD1-CG 4.31Å; Y214-K223 HydrophobicContact CE1-CD 3.36Å; Y214-K223 HydrophobicContact CG-CB 4.3Å; Y214-K223 HydrophobicContact CG-CD 4.04Å; Y214-K223 PolarHBondContact O-N 2.92Å; Y214-K223 PolarHBondContact OH-NZ 3.41Å; K221-K223 PolarHBondContact O-N 2.83Å |
| 224 | E | 86.8 | Confident | 81.5 | Confident | 157 Ų | 157 | 64.7 Ų | 64.7 | 73% | 0.734 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 155.3 | 175.5 | -68.1 | 177.5 | 176 | 0 | 0 | 110.7 | K222 T226 | K222-E224 PolarHBondContact O-N 3.13Å; E224-T226 PolarHBondContact O-N 3.24Å |
| 225 | K | 90.1 | Very high | 81.9 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 20% | 0.196 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 135.6 | 174.2 | -75.1 | -177.6 | 177.5 | -98.8 | 0 | 110.3 | Y185 P186 D207 S496 E497 P499 | Y185-K225 HydrophobicContact CD1-CB 4.4Å; Y185-K225 HydrophobicContact CD1-CG 3.75Å; Y185-K225 HydrophobicContact CD2-CG 4.02Å; Y185-K225 HydrophobicContact CE1-CG 3.71Å; Y185-K225 HydrophobicContact CE2-CG 3.98Å; Y185-K225 HydrophobicContact CG-CG 3.91Å; Y185-K225 CarbonylContact O-C 3.56Å; Y185-K225 WeakPolarHBondContact O-CA 3.47Å; Y185-K225 WeakPolarHBondContact O-CB 3.38Å; P186-K225 PolarHBondContact O-NZ 3.21Å; D207-K225 IonicContact OD1-NZ 3.42Å; D207-K225 PolarHBondContact OD1-NZ 2.92Å; K225-S496 VanDerWaalsContact NZ-CB 3.25Å; K225-S496 PolarHBondContact NZ-OG 3.15Å; K225-E497 WeakPolarHBondContact CD-O 3.23Å; K225-P499 WeakPolarHBondContact O-CD 3.39Å; K225-P499 WeakPolarHBondContact O-CG 3.37Å |
| 226 | T | 91.1 | Very high | 82.5 | Confident | 34 Ų | 34 | 59.9 Ų | 59.9 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 172.8 | 176.1 | 60.5 | 0 | 0 | 0 | 0 | 110.2 | E184 Y185 E224 A228 C498 P499 | E184-T226 WeakPolarHBondContact OE2-CB 3.34Å; E184-T226 PolarHBondContact OE2-OG1 3.02Å; Y185-T226 PolarHBondContact N-OG1 2.78Å; Y185-T226 VanDerWaalsContact N-OG1 3.11Å; Y185-T226 PolarHBondContact O-N 3.38Å; Y185-T226 PolarHBondContact O-OG1 2.89Å; E224-T226 PolarHBondContact O-N 3.24Å; T226-A228 PolarHBondContact O-N 3.42Å; T226-A228 VanDerWaalsContact O-N 3.14Å; T226-C498 WeakPolarHBondContact O-CB 3.41Å; T226-P499 WeakPolarHBondContact O-CD 3.31Å |
| 227 | Q | 89.9 | Confident | 84.2 | Confident | 75 Ų | 75 | 54.4 Ų | 54.4 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -69.7 | -2.7 | 175.5 | -69.9 | 179.4 | -26.1 | 0 | 0 | 113.4 | P499 A500 S526 | Q227-P499 HydrophobicContact CG-CB 4.38Å; Q227-A500 PolarHBondContact NE2-O 3.01Å; Q227-S526 PolarHBondContact O-OG 2.89Å |
| 228 | A | 93.4 | Very high | 86.1 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | trans | -70 | 147.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E184 P186 G187 T226 R527 | E184-A228 HydrophobicContact CB-CB 4.16Å; E184-A228 HydrophobicContact CG-CB 4.12Å; E184-A228 WeakPolarHBondContact OE2-CB 3.35Å; P186-A228 CarbonylContact C-O 3.54Å; P186-A228 WeakPolarHBondContact CA-O 3.28Å; P186-A228 HydrophobicContact CB-CB 3.97Å; P186-A228 VanDerWaalsContact CB-O 3.32Å; P186-A228 WeakPolarHBondContact CB-O 3.26Å; G187-A228 PolarHBondContact N-O 2.91Å; T226-A228 PolarHBondContact O-N 3.42Å; T226-A228 VanDerWaalsContact O-N 3.14Å; A228-R527 WeakPolarHBondContact CA-O 3.11Å; A228-R527 HydrophobicContact CB-CB 4.16Å; A228-R527 WeakPolarHBondContact CB-O 3.49Å | ||
| 229 | Q | 95.6 | Very high | 88.1 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.6 | 174.2 | -65.2 | -177.6 | 39.2 | 0 | 0 | 109.8 | G187 R527 L528 I529 | G187-Q229 WeakPolarHBondContact O-CA 3.46Å; Q229-R527 PolarHBondContact N-O 3.25Å; Q229-L528 HydrophobicContact CB-CD1 3.95Å; Q229-I529 PolarHBondContact O-N 3Å |
| 230 | L | 98.3 | Very high | 90 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 116.5 | 169.6 | 173 | 61.5 | 0 | 0 | 0 | 109 | P186 G187 V188 R189 V206 I232 I529 | P186-L230 HydrophobicContact CB-CB 4.07Å; P186-L230 HydrophobicContact CG-CB 3.94Å; G187-L230 PolarHBondContact O-N 3.47Å; V188-L230 HydrophobicContact CG2-CD2 4.36Å; R189-L230 PolarHBondContact N-O 3.13Å; V206-L230 HydrophobicContact CG1-CD2 3.6Å; L230-I232 HydrophobicContact CD2-CD1 4.33Å; L230-I232 HydrophobicContact CG-CD1 4.48Å; L230-I232 HydrophobicContact CG-CG1 4.28Å; L230-I529 CarbonylContact C-O 3.52Å; L230-I529 VanDerWaalsContact CA-O 3.3Å; L230-I529 WeakPolarHBondContact CA-O 3.46Å; L230-I529 HydrophobicContact CD1-CB 3.83Å; L230-I529 HydrophobicContact CD1-CG2 3.58Å |
| 231 | L | 98.6 | Very high | 91.8 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.3 | 174.1 | -49.6 | -175.1 | 0 | 0 | 0 | 110.1 | R189 V478 A482 L487 W492 L528 I529 I530 F531 | R189-L231 HydrophobicContact CB-CD2 3.7Å; R189-L231 HydrophobicContact CG-CD2 4.18Å; R189-L231 WeakPolarHBondContact O-CA 3.37Å; L231-V478 HydrophobicContact CD1-CG1 3.85Å; L231-A482 HydrophobicContact CD1-CB 3.9Å; L231-L487 HydrophobicContact CD1-CD2 4.12Å; L231-L487 HydrophobicContact CD2-CD2 4.29Å; L231-W492 HydrophobicContact CB-CZ3 4.33Å; L231-L528 HydrophobicContact CD1-CD1 3.92Å; L231-L528 HydrophobicContact CG-CD1 3.86Å; L231-I529 PolarHBondContact N-O 2.9Å; L231-I530 HydrophobicContact CB-CG1 4.18Å; L231-I530 HydrophobicContact CD1-CG1 4.23Å; L231-I530 HydrophobicContact CG-CG1 4.38Å; L231-I530 CarbonylContact O-C 3.6Å; L231-I530 WeakPolarHBondContact O-CA 3.39Å; L231-F531 PolarHBondContact O-N 3.3Å |
| 232 | I | 98.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.5 | 175.8 | -65.3 | 163 | 0 | 0 | 0 | 109.5 | V188 R189 Y190 K191 A199 L202 A203 V206 L230 F531 I533 | V188-I232 HydrophobicContact CG1-CD1 4.05Å; R189-I232 PolarHBondContact O-N 2.78Å; Y190-I232 CarbonylContact C-O 3.59Å; Y190-I232 VanDerWaalsContact CA-O 3.22Å; Y190-I232 WeakPolarHBondContact CA-O 3.36Å; K191-I232 PolarHBondContact N-O 2.86Å; A199-I232 HydrophobicContact CB-CG2 3.97Å; L202-I232 HydrophobicContact CB-CG2 4.28Å; L202-I232 HydrophobicContact CD2-CG2 3.92Å; L202-I232 HydrophobicContact CG-CD1 4.17Å; L202-I232 HydrophobicContact CG-CG2 4.33Å; A203-I232 HydrophobicContact CB-CD1 3.87Å; V206-I232 HydrophobicContact CG2-CD1 4.36Å; L230-I232 HydrophobicContact CD2-CD1 4.33Å; L230-I232 HydrophobicContact CG-CD1 4.48Å; L230-I232 HydrophobicContact CG-CG1 4.28Å; I232-F531 WeakPolarHBondContact CA-O 3.34Å; I232-F531 HydrophobicContact CG1-CB 4.45Å; I232-I533 HydrophobicContact CG2-CD1 3.95Å; I232-I533 HydrophobicContact CG2-CG1 4.29Å |
| 233 | V | 97.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 145.7 | -177 | 65.8 | 0 | 0 | 0 | 0 | 111.3 | K191 F237 I475 W492 F531 V532 I533 | K191-V233 HydrophobicContact CB-CB 4.33Å; K191-V233 HydrophobicContact CB-CG2 3.85Å; K191-V233 HydrophobicContact CG-CG2 4.4Å; V233-F237 HydrophobicContact CG1-CD1 4.3Å; V233-F237 HydrophobicContact CG1-CE1 4.12Å; V233-F237 HydrophobicContact CG1-CZ 4.43Å; V233-F237 HydrophobicContact CG2-CB 3.5Å; V233-F237 VanDerWaalsContact CG2-CB 3.5Å; V233-F237 HydrophobicContact CG2-CD1 3.53Å; V233-F237 HydrophobicContact CG2-CD2 3.79Å; V233-F237 HydrophobicContact CG2-CE1 4.14Å; V233-F237 HydrophobicContact CG2-CE2 4.4Å; V233-F237 HydrophobicContact CG2-CG 3.29Å; V233-I475 HydrophobicContact CG1-CD1 4.36Å; V233-W492 HydrophobicContact CB-CH2 4.05Å; V233-W492 HydrophobicContact CB-CZ3 4.28Å; V233-W492 HydrophobicContact CG2-CH2 3.98Å; V233-F531 PolarHBondContact N-O 3.48Å; V233-V532 HydrophobicContact CG1-CB 4.21Å; V233-V532 HydrophobicContact CG1-CG1 4.21Å; V233-V532 HydrophobicContact CG1-CG2 3.77Å; V233-V532 CarbonylContact O-C 3.41Å; V233-V532 WeakPolarHBondContact O-CA 3.35Å; V233-I533 PolarHBondContact O-N 3.41Å |
| 234 | E | 95.4 | Very high | 95 | Very high | 11 Ų | 11 | 21.5 Ų | 21.5 | 5% | 0.051 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 150.5 | 175.3 | -57.9 | -156.9 | -160.3 | 0 | 0 | 111.6 | M196 N198 A199 G236 F237 I533 | M196-E234 WeakPolarHBondContact CB-OE1 3.4Å; M196-E234 WeakPolarHBondContact CB-OE2 3.45Å; M196-E234 VanDerWaalsContact CE-OE2 3.27Å; M196-E234 WeakPolarHBondContact CE-OE2 3.46Å; N198-E234 WeakPolarHBondContact CA-OE1 3.46Å; N198-E234 HydrophobicContact CB-CG 4.47Å; N198-E234 WeakPolarHBondContact CB-OE1 3.36Å; N198-E234 PolarHBondContact N-OE1 3.44Å; N198-E234 PolarHBondContact ND2-OE1 3.13Å; N198-E234 PolarHBondContact ND2-OE2 3.33Å; A199-E234 HydrophobicContact CB-CG 3.67Å; A199-E234 PolarHBondContact N-OE1 3.12Å; E234-G236 PolarHBondContact O-N 2.79Å; E234-F237 WeakPolarHBondContact O-CB 3.43Å; E234-F237 WeakPolarHBondContact O-CD1 3.45Å; E234-F237 PolarHBondContact O-N 3.11Å; E234-I533 HydrophobicContact CG-CD1 4.31Å |
| 235 | R | 95.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 14.1 Ų | 14.1 | 0% | 0.004 | 8% | 0.075 | C | C | . | . | G | 310 helix | trans | -54.7 | -32.5 | -174.8 | -168.5 | 58.9 | -85.5 | 176 | -8.1 | 114.1 | Y157 F237 D238 L440 I533 G535 E540 | Y157-R235 PolarHBondContact OH-N 3.01Å; Y157-R235 VanDerWaalsContact OH-N 3.14Å; R235-F237 VanDerWaalsContact NH2-CE1 3.3Å; R235-F237 PolarHBondContact O-N 3.36Å; R235-F237 VanDerWaalsContact O-N 3.16Å; R235-D238 PolarHBondContact NH2-O 3.3Å; R235-D238 PolarHBondContact O-N 2.99Å; R235-L440 HydrophobicContact CB-CD2 4.07Å; R235-L440 HydrophobicContact CG-CD2 3.98Å; R235-I533 WeakPolarHBondContact CB-O 3.35Å; R235-I533 PolarHBondContact N-O 2.66Å; R235-I533 VanDerWaalsContact N-O 3.13Å; R235-G535 WeakPolarHBondContact CD-O 3.25Å; R235-G535 PolarHBondContact NH1-O 2.94Å; R235-E540 IonicContact CZ-OE1 3.47Å; R235-E540 IonicContact CZ-OE2 3.99Å; R235-E540 VanDerWaalsContact NH1-CD 3.35Å; R235-E540 IonicContact NH1-OE1 3.9Å; R235-E540 PolarHBondContact NH1-OE1 3.3Å; R235-E540 IonicContact NH1-OE2 3.74Å; R235-E540 PolarHBondContact NH1-OE2 3.28Å; R235-E540 IonicContact NH2-OE1 3.73Å; R235-E540 PolarHBondContact NH2-OE1 3.32Å; R235-E540 IonicContact NH2-OE2 3.34Å |
| 236 | G | 93.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 12.8 Ų | 12.8 | 17% | 0.165 | 7% | 0.069 | C | C | . | . | G | 310 helix | trans | -63.5 | -12.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | E234 D238 L440 | E234-G236 PolarHBondContact O-N 2.79Å; G236-D238 PolarHBondContact O-N 3.22Å; G236-L440 WeakPolarHBondContact CA-O 3.49Å |
| 237 | F | 93.1 | Very high | 96.1 | Very high | 41 Ų | 41 | 11.5 Ų | 11.5 | 18% | 0.18 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -63.4 | -30.1 | 179 | 89.1 | -71.4 | 0 | 0 | 0 | 113.8 | V233 E234 R235 V474 I475 V532 | V233-F237 HydrophobicContact CG1-CD1 4.3Å; V233-F237 HydrophobicContact CG1-CE1 4.12Å; V233-F237 HydrophobicContact CG1-CZ 4.43Å; V233-F237 HydrophobicContact CG2-CB 3.5Å; V233-F237 VanDerWaalsContact CG2-CB 3.5Å; V233-F237 HydrophobicContact CG2-CD1 3.53Å; V233-F237 HydrophobicContact CG2-CD2 3.79Å; V233-F237 HydrophobicContact CG2-CE1 4.14Å; V233-F237 HydrophobicContact CG2-CE2 4.4Å; V233-F237 HydrophobicContact CG2-CG 3.29Å; E234-F237 WeakPolarHBondContact O-CB 3.43Å; E234-F237 WeakPolarHBondContact O-CD1 3.45Å; E234-F237 PolarHBondContact O-N 3.11Å; R235-F237 VanDerWaalsContact NH2-CE1 3.3Å; R235-F237 PolarHBondContact O-N 3.36Å; R235-F237 VanDerWaalsContact O-N 3.16Å; F237-V474 HydrophobicContact CD2-CG1 4.37Å; F237-V474 HydrophobicContact CE2-CB 4.25Å; F237-V474 HydrophobicContact CE2-CG1 4.32Å; F237-I475 HydrophobicContact CE2-CB 4.15Å; F237-I475 HydrophobicContact CE2-CD1 3.81Å; F237-I475 HydrophobicContact CZ-CB 3.99Å; F237-I475 HydrophobicContact CZ-CD1 3.74Å; F237-I475 HydrophobicContact CZ-CG1 4.35Å; F237-V532 HydrophobicContact CE1-CG1 4.2Å |
| 238 | D | 95.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.011 | 5% | 0.049 | C | C | . | . | trans | -142.2 | 91.7 | 177.1 | -175.8 | -6.7 | 0 | 0 | 0 | 108.4 | R235 G236 V240 S241 P242 V474 | R235-D238 PolarHBondContact NH2-O 3.3Å; R235-D238 PolarHBondContact O-N 2.99Å; G236-D238 PolarHBondContact O-N 3.22Å; D238-V240 VanDerWaalsContact C-N 3.32Å; D238-V240 PolarHBondContact OD1-N 3.15Å; D238-V240 VanDerWaalsContact OD1-N 3.08Å; D238-S241 VanDerWaalsContact CG-OG 3.26Å; D238-S241 PolarHBondContact OD1-N 3.16Å; D238-S241 PolarHBondContact OD1-OG 3.03Å; D238-S241 WeakPolarHBondContact OD2-CB 3.39Å; D238-S241 PolarHBondContact OD2-OG 3.2Å; D238-P242 VanDerWaalsContact O-CD 3.31Å; D238-P242 WeakPolarHBondContact O-CD 3.33Å; D238-V474 HydrophobicContact CB-CB 4Å; D238-V474 HydrophobicContact CB-CG2 4.07Å; D238-V474 WeakPolarHBondContact OD2-CB 3.37Å; D238-V474 WeakPolarHBondContact OD2-CG2 3.47Å; D238-V474 PolarHBondContact OD2-N 2.94Å | ||
| 239 | P | 95.6 | Very high | 96.7 | Very high | 20 Ų | 20 | 8.6 Ų | 8.6 | 13% | 0.13 | 5% | 0.049 | C | C | . | . | S | Bend | trans | -84.5 | -8.1 | 177.3 | 35.5 | -36.2 | 0 | 0 | 0 | 112.8 | F408 W437 V442 | P239-F408 HydrophobicContact CB-CD1 4.48Å; P239-F408 HydrophobicContact CB-CD2 3.97Å; P239-F408 HydrophobicContact CB-CE1 4.2Å; P239-F408 HydrophobicContact CB-CE2 3.62Å; P239-F408 HydrophobicContact CB-CG 4.4Å; P239-F408 HydrophobicContact CB-CZ 3.76Å; P239-F408 HydrophobicContact CG-CD1 4.29Å; P239-F408 HydrophobicContact CG-CD2 4.04Å; P239-F408 HydrophobicContact CG-CE1 4.46Å; P239-F408 HydrophobicContact CG-CE2 4.19Å; P239-F408 HydrophobicContact CG-CG 4.1Å; P239-F408 HydrophobicContact CG-CZ 4.42Å; P239-F408 VanDerWaalsContact O-CE2 3.24Å; P239-F408 WeakPolarHBondContact O-CE2 2.94Å; P239-W437 HydrophobicContact CB-CE3 3.98Å; P239-W437 HydrophobicContact CB-CH2 4.36Å; P239-W437 HydrophobicContact CB-CZ3 3.49Å; P239-W437 VanDerWaalsContact CB-CZ3 3.49Å; P239-V442 HydrophobicContact CB-CG1 4.1Å; P239-V442 HydrophobicContact CB-CG2 4.02Å; P239-V442 HydrophobicContact CG-CG1 4.03Å; P239-V442 HydrophobicContact CG-CG2 4.35Å |
| 240 | V | 97.3 | Very high | 96.9 | Very high | 17 Ų | 17 | 7.8 Ų | 7.8 | 10% | 0.103 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -85.4 | -50.9 | -174.3 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | D238 P242 I243 L244 A369 L405 F408 W471 | D238-V240 VanDerWaalsContact C-N 3.32Å; D238-V240 PolarHBondContact OD1-N 3.15Å; D238-V240 VanDerWaalsContact OD1-N 3.08Å; V240-P242 VanDerWaalsContact C-CD 3.42Å; V240-P242 VanDerWaalsContact C-N 3.32Å; V240-I243 VanDerWaalsContact O-CG1 3.3Å; V240-I243 WeakPolarHBondContact O-CG1 3.5Å; V240-I243 PolarHBondContact O-N 2.66Å; V240-I243 VanDerWaalsContact O-N 3.13Å; V240-L244 HydrophobicContact CG1-CD1 3.56Å; V240-L244 HydrophobicContact CG1-CG 4Å; V240-L244 PolarHBondContact O-N 2.9Å; V240-A369 HydrophobicContact CG1-CB 3.8Å; V240-L405 HydrophobicContact CB-CD2 4.46Å; V240-L405 HydrophobicContact CG1-CD2 3.81Å; V240-L405 HydrophobicContact CG2-CD2 4.46Å; V240-F408 HydrophobicContact CG2-CB 4.05Å; V240-F408 HydrophobicContact CG2-CD2 4.11Å; V240-W471 HydrophobicContact CB-CH2 3.9Å; V240-W471 HydrophobicContact CB-CZ2 3.67Å; V240-W471 HydrophobicContact CG1-CD2 3.94Å; V240-W471 HydrophobicContact CG1-CE3 4.17Å; V240-W471 HydrophobicContact CG1-CH2 3.8Å; V240-W471 HydrophobicContact CG1-CZ2 3.58Å; V240-W471 HydrophobicContact CG1-CZ3 4.1Å; V240-W471 HydrophobicContact CG2-CH2 4.32Å |
| 241 | S | 97.8 | Very high | 96.9 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -38.6 | -178 | -61.2 | 0 | 0 | 0 | 0 | 114.7 | D238 I243 W471 P473 | D238-S241 VanDerWaalsContact CG-OG 3.26Å; D238-S241 PolarHBondContact OD1-N 3.16Å; D238-S241 PolarHBondContact OD1-OG 3.03Å; D238-S241 WeakPolarHBondContact OD2-CB 3.39Å; D238-S241 PolarHBondContact OD2-OG 3.2Å; S241-I243 VanDerWaalsContact C-N 3.29Å; S241-I243 PolarHBondContact O-N 2.87Å; S241-W471 PolarHBondContact OG-NE1 3.2Å; S241-P473 VanDerWaalsContact OG-CA 3.27Å; S241-P473 WeakPolarHBondContact OG-CA 3.35Å; S241-P473 WeakPolarHBondContact OG-CB 3.21Å |
| 242 | P | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 8.1 Ų | 8.1 | 2% | 0.019 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -13.7 | -179.3 | -20.4 | 34.5 | 0 | 0 | 0 | 116.5 | D238 V240 T537 L564 P566 L569 | D238-P242 VanDerWaalsContact O-CD 3.31Å; D238-P242 WeakPolarHBondContact O-CD 3.33Å; V240-P242 VanDerWaalsContact C-CD 3.42Å; V240-P242 VanDerWaalsContact C-N 3.32Å; P242-T537 VanDerWaalsContact CA-CG2 3.42Å; P242-T537 HydrophobicContact CB-CG2 3.63Å; P242-T537 HydrophobicContact CG-CG2 3.72Å; P242-L564 HydrophobicContact CB-CD1 4.47Å; P242-P566 WeakPolarHBondContact O-CA 3.44Å; P242-P566 WeakPolarHBondContact O-CG 3.27Å; P242-L569 HydrophobicContact CB-CD2 3.32Å; P242-L569 HydrophobicContact CG-CD2 4.25Å |
| 243 | I | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | -4.5 | -176.7 | 62.8 | 166.3 | 0 | 0 | 0 | 113.5 | V240 S241 R401 L404 L405 F408 W437 L569 | V240-I243 VanDerWaalsContact O-CG1 3.3Å; V240-I243 WeakPolarHBondContact O-CG1 3.5Å; V240-I243 PolarHBondContact O-N 2.66Å; V240-I243 VanDerWaalsContact O-N 3.13Å; S241-I243 VanDerWaalsContact C-N 3.29Å; S241-I243 PolarHBondContact O-N 2.87Å; I243-R401 HydrophobicContact CB-CB 4.49Å; I243-R401 HydrophobicContact CB-CG 4.24Å; I243-R401 PolarHBondContact O-NE 3.38Å; I243-R401 PolarHBondContact O-NH2 2.86Å; I243-L404 HydrophobicContact CD1-CB 3.5Å; I243-L404 VanDerWaalsContact CD1-CB 3.5Å; I243-L404 HydrophobicContact CD1-CD1 4.36Å; I243-L404 HydrophobicContact CG2-CD1 4.5Å; I243-L405 HydrophobicContact CD1-CD2 3.83Å; I243-L405 HydrophobicContact CD1-CG 3.7Å; I243-L405 HydrophobicContact CG1-CD2 4.02Å; I243-L405 HydrophobicContact CG1-CG 4.19Å; I243-F408 HydrophobicContact CD1-CD2 3.85Å; I243-F408 HydrophobicContact CD1-CE2 3.48Å; I243-F408 VanDerWaalsContact CD1-CE2 3.48Å; I243-F408 HydrophobicContact CG1-CE2 4.41Å; I243-W437 HydrophobicContact CG2-CH2 3.85Å; I243-W437 HydrophobicContact CG2-CZ2 3.68Å; I243-L569 HydrophobicContact CG2-CD2 4.42Å |
| 244 | L | 97.1 | Very high | 96.8 | Very high | 3 Ų | 3 | 9.1 Ų | 9.1 | 2% | 0.016 | 5% | 0.052 | C | C | . | . | S | Bend | trans | -75.7 | 142.4 | 177.6 | -80.4 | 172.2 | 0 | 0 | 0 | 111.9 | V240 E246 E365 A369 R401 L405 W471 | V240-L244 HydrophobicContact CG1-CD1 3.56Å; V240-L244 HydrophobicContact CG1-CG 4Å; V240-L244 PolarHBondContact O-N 2.9Å; L244-E246 PolarHBondContact O-N 3.09Å; L244-E365 HydrophobicContact CD2-CB 3.8Å; L244-A369 HydrophobicContact CD1-CB 4Å; L244-A369 HydrophobicContact CD2-CB 4.03Å; L244-R401 PolarHBondContact O-NH2 2.93Å; L244-L405 HydrophobicContact CD2-CD1 3.69Å; L244-L405 HydrophobicContact CD2-CD2 3.91Å; L244-L405 HydrophobicContact CD2-CG 4.47Å; L244-L405 HydrophobicContact CG-CD2 4.19Å; L244-W471 HydrophobicContact CD1-CB 3.7Å; L244-W471 HydrophobicContact CD1-CD2 3.91Å; L244-W471 HydrophobicContact CD1-CG 3.3Å |
| 245 | H | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 9.3 Ų | 9.3 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | trans | -72.2 | 111.6 | 165.6 | -73.1 | 96.5 | 0 | 0 | 0 | 109.3 | D255 V358 C362 E365 D398 R401 | H245-D255 IonicContact CD2-OD2 2.74Å; H245-D255 PolarHBondContact CD2-OD2 3.01Å; H245-D255 VanDerWaalsContact CD2-OD2 3.22Å; H245-D255 IonicContact CG-OD2 3.76Å; H245-D255 IonicContact NE2-OD2 3.79Å; H245-V358 HydrophobicContact CB-CG1 3.92Å; H245-V358 WeakPolarHBondContact CD2-CG1 3.26Å; H245-V358 VanDerWaalsContact CG-CG1 3.41Å; H245-C362 VanDerWaalsContact CB-SG 3.58Å; H245-E365 WeakPolarHBondContact CB-OE2 3.34Å; H245-E365 IonicContact CE1-OE1 3.65Å; H245-E365 PolarHBondContact CE1-OE1 3.2Å; H245-E365 IonicContact CG-OE1 2.86Å; H245-E365 IonicContact CG-OE2 3.97Å; H245-E365 PolarHBondContact N-OE2 2.93Å; H245-E365 VanDerWaalsContact ND1-CD 3.29Å; H245-E365 IonicContact ND1-OE1 2.79Å; H245-E365 PolarHBondContact ND1-OE1 3Å; H245-E365 IonicContact ND1-OE2 2.79Å; H245-E365 PolarHBondContact ND1-OE2 3.31Å; H245-E365 VanDerWaalsContact ND1-OE2 3.1Å; H245-D398 IonicContact CE1-OD1 3.14Å; H245-D398 PolarHBondContact CE1-OD1 2.83Å; H245-D398 IonicContact NE2-OD1 3.04Å; H245-D398 PolarHBondContact NE2-OD1 3.38Å; H245-R401 PolarHBondContact CD2-NH1 3.3Å; H245-R401 PolarHBondContact CD2-NH2 3.42Å; H245-R401 PolarHBondContact CE1-NH1 2.89Å; H245-R401 VanDerWaalsContact N-NH2 3.19Å; H245-R401 VanDerWaalsContact NE2-CZ 3.33Å; H245-R401 PolarHBondContact NE2-NH1 3.44Å | ||
| 246 | E | 96.4 | Very high | 96.8 | Very high | 16 Ų | 16 | 10.5 Ų | 10.5 | 8% | 0.075 | 6% | 0.06 | C | C | . | . | trans | -93.7 | 141.2 | 180 | -79.6 | -83.7 | 172.6 | 0 | 0 | 111 | L244 A251 M252 S539 R542 | L244-E246 PolarHBondContact O-N 3.09Å; E246-A251 HydrophobicContact CB-CB 3.54Å; E246-A251 HydrophobicContact CG-CB 4.28Å; E246-M252 WeakPolarHBondContact O-CA 3.44Å; E246-M252 WeakPolarHBondContact O-CB 3.48Å; E246-S539 WeakPolarHBondContact OE1-CB 3.21Å; E246-S539 PolarHBondContact OE1-OG 3.38Å; E246-R542 IonicContact OE2-CZ 3.84Å; E246-R542 IonicContact OE2-NH1 3.69Å; E246-R542 PolarHBondContact OE2-NH1 3.22Å; E246-R542 IonicContact OE2-NH2 2.97Å | ||
| 247 | L | 97.1 | Very high | 96.9 | Very high | 7 Ų | 7 | 10.8 Ų | 10.8 | 4% | 0.037 | 6% | 0.057 | C | C | . | . | trans | -110.7 | 9.3 | -175.5 | -55.4 | -178.4 | 0 | 0 | 0 | 113.5 | M252 H292 I293 F354 L468 | L247-M252 HydrophobicContact CD2-CE 4.17Å; L247-M252 HydrophobicContact CD2-SD 4.3Å; L247-H292 WeakPolarHBondContact CB-NE2 3.26Å; L247-I293 HydrophobicContact CB-CG2 4.35Å; L247-I293 WeakPolarHBondContact O-CB 3.41Å; L247-I293 PolarHBondContact O-N 2.98Å; L247-F354 HydrophobicContact CD1-CE2 4.06Å; L247-F354 HydrophobicContact CD1-CZ 4.38Å; L247-F354 HydrophobicContact CD2-CD2 3.72Å; L247-F354 HydrophobicContact CD2-CE2 3.64Å; L247-L468 HydrophobicContact CD1-CB 3.63Å; L247-L468 HydrophobicContact CD1-CD1 4.43Å | ||
| 248 | T | 97.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 13.1 Ų | 13.1 | 9% | 0.092 | 7% | 0.071 | C | C | . | . | B | Isolated β-bridge | trans | -80.4 | 142.6 | 165 | 59 | 0 | 0 | 0 | 0 | 110.6 | Q250 A251 M252 H291 R542 | T248-Q250 PolarHBondContact O-N 3.31Å; T248-A251 PolarHBondContact O-N 3.36Å; T248-A251 VanDerWaalsContact O-N 3.13Å; T248-M252 WeakPolarHBondContact O-CB 3.48Å; T248-M252 PolarHBondContact O-N 3.15Å; T248-H291 CarbonylContact C-O 3.57Å; T248-H291 WeakPolarHBondContact CA-O 3.35Å; T248-R542 PolarHBondContact OG1-NH1 2.98Å |
| 249 | Y | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -52 | -50 | -161.1 | -175.4 | -145.7 | 0 | 0 | 0 | 115.1 | A253 W285 L288 H291 I293 V296 H343 L346 A347 | Y249-A253 WeakPolarHBondContact O-CB 3.46Å; Y249-A253 PolarHBondContact O-N 3.14Å; Y249-W285 HydrophobicContact CD1-CE3 4.05Å; Y249-W285 AromaticContact CD1-CZ3 3.76Å; Y249-W285 HydrophobicContact CD1-CZ3 3.76Å; Y249-W285 AromaticContact CE1-CE3 3.7Å; Y249-W285 HydrophobicContact CE1-CE3 3.7Å; Y249-W285 AromaticContact CE1-CZ3 3.57Å; Y249-W285 HydrophobicContact CE1-CZ3 3.57Å; Y249-W285 HydrophobicContact CG-CZ3 4.41Å; Y249-L288 HydrophobicContact CD1-CB 3.91Å; Y249-L288 HydrophobicContact CE1-CB 4.22Å; Y249-H291 PolarHBondContact N-O 2.93Å; Y249-I293 HydrophobicContact CD2-CD1 3.95Å; Y249-I293 HydrophobicContact CE2-CD1 4.45Å; Y249-V296 HydrophobicContact CD1-CG1 4.1Å; Y249-V296 HydrophobicContact CD1-CG2 4.28Å; Y249-V296 HydrophobicContact CD2-CG1 4.2Å; Y249-V296 HydrophobicContact CE1-CG1 4.16Å; Y249-V296 HydrophobicContact CE2-CG1 4.26Å; Y249-V296 HydrophobicContact CG-CG1 4.12Å; Y249-V296 HydrophobicContact CG-CG2 4.14Å; Y249-H343 AromaticContact CE1-ND1 3.6Å; Y249-H343 AromaticContact CZ-ND1 3.71Å; Y249-H343 WeakPolarHBondContact OH-CA 3.45Å; Y249-H343 PolarHBondContact OH-ND1 3.37Å; Y249-H343 PolarHBondContact OH-O 3.26Å; Y249-H343 VanDerWaalsContact OH-O 3.14Å; Y249-L346 HydrophobicContact CE2-CD2 4.15Å; Y249-L346 HydrophobicContact CE2-CG 3.98Å; Y249-L346 WeakPolarHBondContact OH-CD2 3.24Å; Y249-A347 HydrophobicContact CE2-CB 4.22Å |
| 250 | Q | 98.4 | Very high | 96.7 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.019 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.6 | -49 | 179.1 | 173.8 | -179.2 | 37.5 | 0 | 0 | 112.5 | E141 T248 M252 A253 Y254 W285 R289 H290 Y538 | E141-Q250 PolarHBondContact OE1-NE2 3.01Å; T248-Q250 PolarHBondContact O-N 3.31Å; Q250-M252 VanDerWaalsContact C-N 3.29Å; Q250-M252 PolarHBondContact O-N 3.4Å; Q250-A253 PolarHBondContact O-N 2.82Å; Q250-Y254 HydrophobicContact CG-CD2 4.1Å; Q250-Y254 HydrophobicContact CG-CE2 4.12Å; Q250-Y254 VanDerWaalsContact O-CD2 3.29Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.28Å; Q250-Y254 PolarHBondContact O-N 3.24Å; Q250-Y254 VanDerWaalsContact O-N 3.07Å; Q250-W285 HydrophobicContact CB-CH2 3.76Å; Q250-W285 HydrophobicContact CB-CZ2 3.85Å; Q250-W285 HydrophobicContact CG-CH2 4.03Å; Q250-W285 HydrophobicContact CG-CZ2 3.73Å; Q250-R289 HydrophobicContact CB-CB 3.86Å; Q250-R289 VanDerWaalsContact CB-O 3.28Å; Q250-R289 WeakPolarHBondContact CB-O 3.27Å; Q250-R289 PolarHBondContact N-O 3.5Å; Q250-H290 PolarHBondContact OE1-CE1 2.89Å; Q250-H290 VanDerWaalsContact OE1-CE1 3.3Å; Q250-Y538 VanDerWaalsContact CD-CD1 3.46Å; Q250-Y538 HydrophobicContact CG-CD1 3.49Å; Q250-Y538 VanDerWaalsContact CG-CD1 3.49Å; Q250-Y538 HydrophobicContact CG-CE1 3.95Å; Q250-Y538 HydrophobicContact CG-CG 4.07Å |
| 251 | A | 98.1 | Very high | 96.3 | Very high | 8 Ų | 8 | 24 Ų | 24 | 7% | 0.066 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -43 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E246 T248 D255 | E246-A251 HydrophobicContact CB-CB 3.54Å; E246-A251 HydrophobicContact CG-CB 4.28Å; T248-A251 PolarHBondContact O-N 3.36Å; T248-A251 VanDerWaalsContact O-N 3.13Å; A251-D255 WeakPolarHBondContact O-CB 3.32Å; A251-D255 PolarHBondContact O-N 3.34Å; A251-D255 VanDerWaalsContact O-N 3.15Å |
| 252 | M | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -44.2 | 177.2 | -169.1 | -178.1 | -175.1 | 0 | 0 | 112.3 | E246 L247 T248 Q250 D255 L256 I293 C350 F354 | E246-M252 WeakPolarHBondContact O-CA 3.44Å; E246-M252 WeakPolarHBondContact O-CB 3.48Å; L247-M252 HydrophobicContact CD2-CE 4.17Å; L247-M252 HydrophobicContact CD2-SD 4.3Å; T248-M252 WeakPolarHBondContact O-CB 3.48Å; T248-M252 PolarHBondContact O-N 3.15Å; Q250-M252 VanDerWaalsContact C-N 3.29Å; Q250-M252 PolarHBondContact O-N 3.4Å; M252-D255 PolarHBondContact O-N 3.43Å; M252-L256 HydrophobicContact CE-CD1 3.7Å; M252-L256 HydrophobicContact CG-CD1 3.78Å; M252-L256 HydrophobicContact CG-CG 4.34Å; M252-L256 WeakPolarHBondContact O-CB 3.37Å; M252-L256 WeakPolarHBondContact O-CG 3.27Å; M252-L256 PolarHBondContact O-N 2.94Å; M252-I293 HydrophobicContact CE-CG1 4.45Å; M252-I293 HydrophobicContact CE-CG2 4.46Å; M252-I293 HydrophobicContact SD-CB 3.7Å; M252-I293 HydrophobicContact SD-CD1 4.23Å; M252-I293 HydrophobicContact SD-CG1 3.72Å; M252-I293 HydrophobicContact SD-CG2 3.83Å; M252-C350 HydrophobicContact CE-CB 4.02Å; M252-C350 WeakPolarHBondContact CE-O 3.18Å; M252-C350 HydrophobicContact CG-CB 4.35Å; M252-C350 HydrophobicContact SD-CB 4Å; M252-F354 HydrophobicContact CE-CB 3.41Å; M252-F354 VanDerWaalsContact CE-CB 3.41Å; M252-F354 HydrophobicContact CE-CD2 4.16Å; M252-F354 HydrophobicContact CE-CG 3.91Å |
| 253 | A | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.9 | -45.4 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y249 Q250 D255 I257 I259 L346 | Y249-A253 WeakPolarHBondContact O-CB 3.46Å; Y249-A253 PolarHBondContact O-N 3.14Å; Q250-A253 PolarHBondContact O-N 2.82Å; A253-D255 VanDerWaalsContact C-N 3.31Å; A253-D255 PolarHBondContact O-N 3.11Å; A253-I257 WeakPolarHBondContact O-CA 3.35Å; A253-I257 VanDerWaalsContact O-CB 3.24Å; A253-I257 WeakPolarHBondContact O-CB 3.47Å; A253-I257 PolarHBondContact O-N 3.14Å; A253-I259 HydrophobicContact CB-CD1 3.87Å; A253-L346 HydrophobicContact CB-CD1 4.22Å; A253-L346 HydrophobicContact CB-CD2 4.34Å; A253-L346 HydrophobicContact CB-CG 4.46Å |
| 254 | Y | 97.8 | Very high | 95.9 | Very high | 21 Ų | 21 | 28 Ų | 28 | 8% | 0.082 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -76.8 | -15.5 | -179.5 | -79 | -103.1 | 0 | 0 | 0 | 114 | Q250 I259 D262 L278 W285 Y538 T565 | Q250-Y254 HydrophobicContact CG-CD2 4.1Å; Q250-Y254 HydrophobicContact CG-CE2 4.12Å; Q250-Y254 VanDerWaalsContact O-CD2 3.29Å; Q250-Y254 WeakPolarHBondContact O-CD2 3.28Å; Q250-Y254 PolarHBondContact O-N 3.24Å; Q250-Y254 VanDerWaalsContact O-N 3.07Å; Y254-I259 HydrophobicContact CD1-CB 4.21Å; Y254-I259 HydrophobicContact CD1-CG2 4.06Å; Y254-I259 HydrophobicContact CD2-CD1 4.03Å; Y254-I259 HydrophobicContact CE1-CB 4.29Å; Y254-I259 HydrophobicContact CE1-CG2 3.63Å; Y254-I259 HydrophobicContact CE2-CD1 4.21Å; Y254-I259 HydrophobicContact CE2-CG2 4.43Å; Y254-I259 HydrophobicContact CG-CD1 4.31Å; Y254-D262 WeakPolarHBondContact CE1-OD1 2.98Å; Y254-D262 PolarHBondContact OH-OD1 2.75Å; Y254-L278 HydrophobicContact CE2-CD1 4.27Å; Y254-W285 HydrophobicContact CE2-CH2 4.14Å; Y254-W285 AromaticContact CE2-CZ2 3.97Å; Y254-W285 HydrophobicContact CE2-CZ2 3.97Å; Y254-Y538 HydrophobicContact CD1-CE1 4.47Å; Y254-Y538 AromaticContact CD1-CE2 3.69Å; Y254-Y538 HydrophobicContact CD1-CE2 3.69Å; Y254-Y538 AromaticContact CD1-CZ 3.49Å; Y254-Y538 VanDerWaalsContact CD1-CZ 3.49Å; Y254-Y538 WeakPolarHBondContact CD1-OH 3.36Å; Y254-Y538 HydrophobicContact CD2-CE1 4.33Å; Y254-Y538 HydrophobicContact CD2-CE2 4.21Å; Y254-Y538 AromaticContact CD2-CZ 4Å; Y254-Y538 HydrophobicContact CE1-CE2 4.44Å; Y254-Y538 AromaticContact CE1-CZ 3.78Å; Y254-Y538 WeakPolarHBondContact CE1-OH 3.47Å; Y254-Y538 HydrophobicContact CE2-CE1 4.4Å; Y254-Y538 HydrophobicContact CG-CD2 4.25Å; Y254-Y538 HydrophobicContact CG-CE1 4.34Å; Y254-Y538 AromaticContact CG-CE2 3.51Å; Y254-Y538 HydrophobicContact CG-CE2 3.51Å; Y254-Y538 AromaticContact CG-CZ 3.56Å; Y254-T565 WeakPolarHBondContact O-CG2 3.35Å |
| 255 | D | 96.7 | Very high | 95.7 | Very high | 16 Ų | 16 | 32.3 Ų | 32.3 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -84.5 | -47.3 | 172.1 | -171.7 | 18.2 | 0 | 0 | 0 | 111.4 | H245 A251 M252 A253 R401 P566 | H245-D255 IonicContact CD2-OD2 2.74Å; H245-D255 PolarHBondContact CD2-OD2 3.01Å; H245-D255 VanDerWaalsContact CD2-OD2 3.22Å; H245-D255 IonicContact CG-OD2 3.76Å; H245-D255 IonicContact NE2-OD2 3.79Å; A251-D255 WeakPolarHBondContact O-CB 3.32Å; A251-D255 PolarHBondContact O-N 3.34Å; A251-D255 VanDerWaalsContact O-N 3.15Å; M252-D255 PolarHBondContact O-N 3.43Å; A253-D255 VanDerWaalsContact C-N 3.31Å; A253-D255 PolarHBondContact O-N 3.11Å; D255-R401 IonicContact OD1-CZ 3.13Å; D255-R401 IonicContact OD1-NH1 2.7Å; D255-R401 PolarHBondContact OD1-NH1 3.49Å; D255-R401 IonicContact OD1-NH2 3.67Å; D255-R401 IonicContact OD2-CZ 2.75Å; D255-R401 IonicContact OD2-NH1 2.71Å; D255-R401 PolarHBondContact OD2-NH1 3.39Å; D255-R401 VanDerWaalsContact OD2-NH1 3.16Å; D255-R401 IonicContact OD2-NH2 2.75Å; D255-R401 PolarHBondContact OD2-NH2 3.46Å; D255-P566 HydrophobicContact CB-CG 4.41Å; D255-P566 WeakPolarHBondContact OD1-CG 3.33Å |
| 256 | L | 94.9 | Very high | 95.3 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.136 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -95.3 | -23 | -168.7 | -58.4 | -174.2 | 0 | 0 | 0 | 114.8 | M252 H353 F354 V358 | M252-L256 HydrophobicContact CE-CD1 3.7Å; M252-L256 HydrophobicContact CG-CD1 3.78Å; M252-L256 HydrophobicContact CG-CG 4.34Å; M252-L256 WeakPolarHBondContact O-CB 3.37Å; M252-L256 WeakPolarHBondContact O-CG 3.27Å; M252-L256 PolarHBondContact O-N 2.94Å; L256-H353 HydrophobicContact CB-CB 4.15Å; L256-H353 HydrophobicContact CD1-CB 4.22Å; L256-F354 HydrophobicContact CD1-CB 4.42Å; L256-V358 HydrophobicContact CD2-CG2 3.99Å |
| 257 | I | 95.1 | Very high | 94.8 | Very high | 21 Ų | 21 | 40.7 Ų | 40.7 | 11% | 0.108 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -113.5 | 141.5 | -175.5 | -49.6 | -59.5 | 0 | 0 | 0 | 109.4 | A253 I259 Y264 L346 D349 | A253-I257 WeakPolarHBondContact O-CA 3.35Å; A253-I257 VanDerWaalsContact O-CB 3.24Å; A253-I257 WeakPolarHBondContact O-CB 3.47Å; A253-I257 PolarHBondContact O-N 3.14Å; I257-I259 VanDerWaalsContact C-N 3.29Å; I257-I259 HydrophobicContact CB-CD1 4.43Å; I257-I259 HydrophobicContact CB-CG1 4.27Å; I257-I259 HydrophobicContact CG2-CG1 4.18Å; I257-I259 PolarHBondContact O-N 2.8Å; I257-Y264 HydrophobicContact CG2-CD2 3.94Å; I257-Y264 HydrophobicContact CG2-CE2 3.85Å; I257-L346 HydrophobicContact CG1-CD1 4.15Å; I257-L346 HydrophobicContact CG2-CD1 4.38Å; I257-D349 HydrophobicContact CD1-CB 3.86Å |
| 258 | D | 92.6 | Very high | 93.8 | Very high | 91 Ų | 91 | 41.6 Ų | 41.6 | 49% | 0.487 | 21% | 0.205 | S | C | . | . | trans | -72.8 | 82.6 | 176.3 | 178.7 | 38.2 | 0 | 0 | 0 | 111 | Q260 R265 | D258-Q260 WeakPolarHBondContact OD1-CG 3.44Å; D258-Q260 PolarHBondContact OD1-NE2 3.2Å; D258-R265 IonicContact OD1-NH2 3.02Å; D258-R265 IonicContact OD2-CZ 3.61Å; D258-R265 IonicContact OD2-NH2 2.68Å; D258-R265 PolarHBondContact OD2-NH2 2.89Å | ||
| 259 | I | 95.6 | Very high | 92.5 | Very high | 22 Ų | 22 | 47.4 Ų | 47.4 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 117.8 | 174.6 | -60.5 | 172 | 0 | 0 | 0 | 108.1 | A253 Y254 I257 L278 | A253-I259 HydrophobicContact CB-CD1 3.87Å; Y254-I259 HydrophobicContact CD1-CB 4.21Å; Y254-I259 HydrophobicContact CD1-CG2 4.06Å; Y254-I259 HydrophobicContact CD2-CD1 4.03Å; Y254-I259 HydrophobicContact CE1-CB 4.29Å; Y254-I259 HydrophobicContact CE1-CG2 3.63Å; Y254-I259 HydrophobicContact CE2-CD1 4.21Å; Y254-I259 HydrophobicContact CE2-CG2 4.43Å; Y254-I259 HydrophobicContact CG-CD1 4.31Å; I257-I259 VanDerWaalsContact C-N 3.29Å; I257-I259 HydrophobicContact CB-CD1 4.43Å; I257-I259 HydrophobicContact CB-CG1 4.27Å; I257-I259 HydrophobicContact CG2-CG1 4.18Å; I257-I259 PolarHBondContact O-N 2.8Å; I259-L278 HydrophobicContact CD1-CD1 3.82Å; I259-L278 HydrophobicContact CG2-CD1 4.41Å |
| 260 | Q | 91 | Very high | 91.4 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 45% | 0.453 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.2 | -179.1 | -60.9 | -176.5 | 2.5 | 0 | 0 | 109.6 | D258 D262 T263 | D258-Q260 WeakPolarHBondContact OD1-CG 3.44Å; D258-Q260 PolarHBondContact OD1-NE2 3.2Å; Q260-D262 VanDerWaalsContact C-N 3.26Å; Q260-D262 PolarHBondContact O-N 2.86Å; Q260-T263 PolarHBondContact N-O 3.19Å; Q260-T263 VanDerWaalsContact O-CB 3.24Å; Q260-T263 WeakPolarHBondContact O-CB 3.46Å; Q260-T263 PolarHBondContact O-N 3.04Å |
| 261 | N | 89.1 | Confident | 90.3 | Very high | 148 Ų | 148 | 55.4 Ų | 55.4 | 79% | 0.791 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.3 | 49.5 | -176.8 | -55 | -44.6 | 0 | 0 | 0 | 111.8 | T263 | N261-T263 PolarHBondContact O-N 2.94Å; N261-T263 PolarHBondContact O-OG1 2.75Å |
| 262 | D | 93.9 | Very high | 89.7 | Confident | 49 Ų | 49 | 57 Ų | 57 | 26% | 0.262 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 13.6 | -177.9 | -50.2 | -44.7 | 0 | 0 | 0 | 114.9 | Y254 Q260 L277 L278 | Y254-D262 WeakPolarHBondContact CE1-OD1 2.98Å; Y254-D262 PolarHBondContact OH-OD1 2.75Å; Q260-D262 VanDerWaalsContact C-N 3.26Å; Q260-D262 PolarHBondContact O-N 2.86Å; D262-L277 HydrophobicContact CB-CD1 4.06Å; D262-L278 PolarHBondContact O-N 3.27Å |
| 263 | T | 95.5 | Very high | 89.2 | Confident | 41 Ų | 41 | 62.4 Ų | 62.4 | 25% | 0.252 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 110.6 | -179.2 | -57.1 | 0 | 0 | 0 | 0 | 109.9 | Q260 N261 H275 A276 | Q260-T263 PolarHBondContact N-O 3.19Å; Q260-T263 VanDerWaalsContact O-CB 3.24Å; Q260-T263 WeakPolarHBondContact O-CB 3.46Å; Q260-T263 PolarHBondContact O-N 3.04Å; N261-T263 PolarHBondContact O-N 2.94Å; N261-T263 PolarHBondContact O-OG1 2.75Å; T263-H275 HydrophobicContact CG2-CB 3.87Å; T263-A276 CarbonylContact C-O 3.59Å; T263-A276 WeakPolarHBondContact CA-O 3.35Å |
| 264 | Y | 95.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 121.3 | 172.1 | 169.3 | -128.8 | 0 | 0 | 0 | 110.3 | I257 Y266 H275 A276 I342 Q345 L346 D349 | I257-Y264 HydrophobicContact CG2-CD2 3.94Å; I257-Y264 HydrophobicContact CG2-CE2 3.85Å; Y264-Y266 AromaticContact CD1-CD1 3.95Å; Y264-Y266 HydrophobicContact CD1-CD1 3.95Å; Y264-Y266 HydrophobicContact CD1-CG 4.47Å; Y264-Y266 AromaticContact CE1-CD1 3.84Å; Y264-Y266 HydrophobicContact CE1-CD1 3.84Å; Y264-Y266 AromaticContact CE1-CG 3.91Å; Y264-Y266 HydrophobicContact CE1-CG 3.91Å; Y264-Y266 VanDerWaalsContact CZ-CB 3.5Å; Y264-Y266 WeakPolarHBondContact OH-CB 3.44Å; Y264-H275 WeakPolarHBondContact O-CA 3.49Å; Y264-A276 HydrophobicContact CD1-CB 4.38Å; Y264-A276 PolarHBondContact N-O 3.3Å; Y264-A276 PolarHBondContact O-N 3.37Å; Y264-I342 HydrophobicContact CD1-CG2 4.13Å; Y264-I342 HydrophobicContact CE1-CG2 4.43Å; Y264-Q345 WeakPolarHBondContact OH-CG 3.48Å; Y264-L346 HydrophobicContact CD1-CB 4.24Å; Y264-L346 HydrophobicContact CD1-CD1 4.38Å; Y264-L346 HydrophobicContact CD2-CD1 3.86Å; Y264-L346 HydrophobicContact CE1-CB 3.74Å; Y264-L346 HydrophobicContact CE1-CD1 4.23Å; Y264-L346 HydrophobicContact CE1-CG 4.47Å; Y264-L346 HydrophobicContact CE2-CD1 3.72Å; Y264-L346 HydrophobicContact CG-CD1 4.19Å; Y264-D349 PolarHBondContact OH-OD2 3.32Å |
| 265 | R | 93.6 | Very high | 88.6 | Confident | 93 Ų | 93 | 71 Ų | 71 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 124.3 | 175.2 | -67.1 | -170.6 | -75.9 | -143.4 | -5.6 | 110 | D258 K274 H275 | D258-R265 IonicContact OD1-NH2 3.02Å; D258-R265 IonicContact OD2-CZ 3.61Å; D258-R265 IonicContact OD2-NH2 2.68Å; D258-R265 PolarHBondContact OD2-NH2 2.89Å; R265-K274 WeakPolarHBondContact CA-O 3.14Å; R265-H275 WeakPolarHBondContact CG-ND1 3.38Å |
| 266 | Y | 89.1 | Confident | 88.4 | Confident | 30 Ų | 30 | 70.6 Ų | 70.6 | 12% | 0.118 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 151.3 | 179.6 | 71 | -79.4 | 0 | 0 | 0 | 112 | Y264 K274 A276 I342 Q345 | Y264-Y266 AromaticContact CD1-CD1 3.95Å; Y264-Y266 HydrophobicContact CD1-CD1 3.95Å; Y264-Y266 HydrophobicContact CD1-CG 4.47Å; Y264-Y266 AromaticContact CE1-CD1 3.84Å; Y264-Y266 HydrophobicContact CE1-CD1 3.84Å; Y264-Y266 AromaticContact CE1-CG 3.91Å; Y264-Y266 HydrophobicContact CE1-CG 3.91Å; Y264-Y266 VanDerWaalsContact CZ-CB 3.5Å; Y264-Y266 WeakPolarHBondContact OH-CB 3.44Å; Y266-K274 HydrophobicContact CD1-CB 4.12Å; Y266-K274 HydrophobicContact CD2-CB 4.47Å; Y266-K274 HydrophobicContact CE1-CB 3.6Å; Y266-K274 HydrophobicContact CE2-CB 4.02Å; Y266-K274 HydrophobicContact CE2-CD 4.22Å; Y266-K274 PolarHBondContact N-O 2.86Å; Y266-K274 PolarHBondContact O-N 3.06Å; Y266-A276 HydrophobicContact CE1-CB 4.07Å; Y266-I342 HydrophobicContact CE1-CG1 4.18Å; Y266-Q345 HydrophobicContact CD2-CG 4.35Å |
| 267 | K | 84.6 | Confident | 88.3 | Confident | 164 Ų | 164 | 73.9 Ų | 73.9 | 71% | 0.713 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 123.2 | 177.7 | -67.5 | -175.8 | -179.4 | -179.4 | 0 | 109.8 | ||
| 268 | S | 77.4 | Confident | 88.2 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 18% | 0.182 | 37% | 0.374 | C | S | . | . | trans | -76 | 164.3 | 169.7 | -177.9 | 0 | 0 | 0 | 0 | 110.3 | D270 G271 S272 K274 | S268-D270 WeakPolarHBondContact CB-OD1 3.42Å; S268-D270 PolarHBondContact O-N 3.25Å; S268-D270 PolarHBondContact OG-OD1 2.91Å; S268-G271 WeakPolarHBondContact O-CA 3.42Å; S268-G271 PolarHBondContact O-N 2.8Å; S268-S272 WeakPolarHBondContact CB-O 3.17Å; S268-S272 PolarHBondContact N-O 3.21Å; S268-K274 PolarHBondContact OG-NZ 2.53Å | ||
| 269 | K | 70.2 | Confident | 88.1 | Confident | 137 Ų | 137 | 70.6 Ų | 70.6 | 60% | 0.596 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | -25.8 | -175.3 | -69.5 | -167.3 | 170.1 | -161.4 | 0 | 114.6 | G271 I320 S321 | K269-G271 PolarHBondContact O-N 2.95Å; K269-I320 HydrophobicContact CD-CG2 4.4Å; K269-S321 VanDerWaalsContact NZ-CA 3.34Å; K269-S321 VanDerWaalsContact NZ-CB 3.25Å |
| 270 | D | 73.9 | Confident | 87.9 | Confident | 115 Ų | 115 | 71.3 Ų | 71.3 | 62% | 0.615 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 2.4 | 172.6 | 54.2 | -41.7 | 0 | 0 | 0 | 112.8 | S268 S272 | S268-D270 WeakPolarHBondContact CB-OD1 3.42Å; S268-D270 PolarHBondContact O-N 3.25Å; S268-D270 PolarHBondContact OG-OD1 2.91Å; D270-S272 PolarHBondContact O-N 2.84Å; D270-S272 PolarHBondContact OD1-OG 2.89Å; D270-S272 VanDerWaalsContact OD1-OG 3.06Å; D270-S272 WeakPolarHBondContact OD2-CB 2.85Å; D270-S272 PolarHBondContact OD2-OG 2.63Å |
| 271 | G | 76.9 | Confident | 87.7 | Confident | 57 Ų | 57 | 70.4 Ų | 70.4 | 59% | 0.588 | 36% | 0.361 | S | S | * | . | S | Bend | trans | 78.5 | -5.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | S268 K269 | S268-G271 WeakPolarHBondContact O-CA 3.42Å; S268-G271 PolarHBondContact O-N 2.8Å; K269-G271 PolarHBondContact O-N 2.95Å |
| 272 | S | 84.6 | Confident | 87.8 | Confident | 41 Ų | 41 | 64.1 Ų | 64.1 | 29% | 0.287 | 33% | 0.327 | S | S | . | . | trans | -68.6 | 134.3 | 176.2 | 63.3 | 0 | 0 | 0 | 0 | 111 | S268 D270 | S268-S272 WeakPolarHBondContact CB-O 3.17Å; S268-S272 PolarHBondContact N-O 3.21Å; D270-S272 PolarHBondContact O-N 2.84Å; D270-S272 PolarHBondContact OD1-OG 2.89Å; D270-S272 VanDerWaalsContact OD1-OG 3.06Å; D270-S272 WeakPolarHBondContact OD2-CB 2.85Å; D270-S272 PolarHBondContact OD2-OG 2.63Å | ||
| 273 | E | 87.9 | Confident | 87.6 | Confident | 115 Ų | 115 | 68.1 Ų | 68.1 | 54% | 0.537 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 132.7 | 171.4 | -170.3 | 169.6 | -152.1 | 0 | 0 | 109.3 | ||
| 274 | K | 89.5 | Confident | 87.4 | Confident | 82 Ų | 82 | 67 Ų | 67 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 153.7 | 177.3 | -70.3 | -174.7 | -179 | 160.2 | 0 | 109.9 | R265 Y266 S268 | R265-K274 WeakPolarHBondContact CA-O 3.14Å; Y266-K274 HydrophobicContact CD1-CB 4.12Å; Y266-K274 HydrophobicContact CD2-CB 4.47Å; Y266-K274 HydrophobicContact CE1-CB 3.6Å; Y266-K274 HydrophobicContact CE2-CB 4.02Å; Y266-K274 HydrophobicContact CE2-CD 4.22Å; Y266-K274 PolarHBondContact N-O 2.86Å; Y266-K274 PolarHBondContact O-N 3.06Å; S268-K274 PolarHBondContact OG-NZ 2.53Å |
| 275 | H | 92.1 | Very high | 87.3 | Confident | 119 Ų | 119 | 67.1 Ų | 67.1 | 55% | 0.551 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.1 | -179.8 | -55.9 | -77 | 0 | 0 | 0 | 109 | T263 Y264 R265 | T263-H275 HydrophobicContact CG2-CB 3.87Å; Y264-H275 WeakPolarHBondContact O-CA 3.49Å; R265-H275 WeakPolarHBondContact CG-ND1 3.38Å |
| 276 | A | 93.1 | Very high | 87.4 | Confident | 8 Ų | 8 | 64.8 Ų | 64.8 | 7% | 0.066 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 133.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T263 Y264 Y266 I342 | T263-A276 CarbonylContact C-O 3.59Å; T263-A276 WeakPolarHBondContact CA-O 3.35Å; Y264-A276 HydrophobicContact CD1-CB 4.38Å; Y264-A276 PolarHBondContact N-O 3.3Å; Y264-A276 PolarHBondContact O-N 3.37Å; Y266-A276 HydrophobicContact CE1-CB 4.07Å; A276-I342 HydrophobicContact CB-CB 4.49Å; A276-I342 HydrophobicContact CB-CD1 3.78Å; A276-I342 HydrophobicContact CB-CG1 4.1Å; A276-I342 HydrophobicContact CB-CG2 3.57Å |
| 277 | L | 92.8 | Very high | 87.6 | Confident | 95 Ų | 95 | 67.2 Ų | 67.2 | 50% | 0.497 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 123.7 | 175.7 | -174.8 | 65.6 | 0 | 0 | 0 | 109.2 | D262 N279 | D262-L277 HydrophobicContact CB-CD1 4.06Å; L277-N279 WeakPolarHBondContact CD2-ND2 3.38Å; L277-N279 HydrophobicContact CG-CB 4.29Å; L277-N279 PolarHBondContact O-N 2.76Å |
| 278 | L | 93.9 | Very high | 88.1 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | trans | -93.3 | 91.4 | 179 | -58.3 | 179.1 | 0 | 0 | 0 | 109.4 | Y254 I259 D262 W285 L346 | Y254-L278 HydrophobicContact CE2-CD1 4.27Å; I259-L278 HydrophobicContact CD1-CD1 3.82Å; I259-L278 HydrophobicContact CG2-CD1 4.41Å; D262-L278 PolarHBondContact O-N 3.27Å; L278-W285 HydrophobicContact CB-CD2 4.4Å; L278-W285 HydrophobicContact CB-CZ2 4.19Å; L278-W285 HydrophobicContact CD1-CH2 4Å; L278-W285 HydrophobicContact CD1-CZ2 4.29Å; L278-W285 HydrophobicContact CD1-CZ3 4.32Å; L278-W285 HydrophobicContact CD2-CD2 4.48Å; L278-W285 HydrophobicContact CD2-CE3 4.32Å; L278-W285 HydrophobicContact CD2-CZ3 4.48Å; L278-L346 HydrophobicContact CD1-CD2 3.99Å; L278-L346 HydrophobicContact CD2-CD2 4.19Å | ||
| 279 | N | 90.6 | Very high | 89.1 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.203 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -139.9 | -177.1 | -177.7 | 74.2 | 4.7 | 0 | 0 | 0 | 111.8 | L277 D281 D282 | L277-N279 WeakPolarHBondContact CD2-ND2 3.38Å; L277-N279 HydrophobicContact CG-CB 4.29Å; L277-N279 PolarHBondContact O-N 2.76Å; N279-D281 PolarHBondContact ND2-OD2 2.95Å; N279-D281 VanDerWaalsContact ND2-OD2 3.16Å; N279-D281 PolarHBondContact O-N 3.2Å; N279-D281 VanDerWaalsContact OD1-CB 3.23Å; N279-D281 WeakPolarHBondContact OD1-CB 3.43Å; N279-D281 PolarHBondContact OD1-N 2.91Å; N279-D282 PolarHBondContact O-N 3.21Å |
| 280 | E | 90.5 | Very high | 90.4 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | 1 | -177.8 | -58.9 | -163.5 | 145.7 | 0 | 0 | 114.3 | K10 E141 A142 D282 V286 R289 | K10-E280 WeakPolarHBondContact CD-OE2 3.3Å; K10-E280 IonicContact NZ-OE2 3.98Å; E141-E280 WeakPolarHBondContact CA-OE1 3.23Å; E141-E280 WeakPolarHBondContact CB-OE1 3.44Å; A142-E280 VanDerWaalsContact N-CD 3.34Å; A142-E280 PolarHBondContact N-OE1 3.4Å; A142-E280 PolarHBondContact N-OE2 3.05Å; A142-E280 VanDerWaalsContact N-OE2 3.15Å; E280-D282 VanDerWaalsContact C-N 3.3Å; E280-V286 HydrophobicContact CB-CG2 3.95Å; E280-V286 HydrophobicContact CG-CG2 4.02Å; E280-R289 IonicContact OE1-CZ 2.63Å; E280-R289 IonicContact OE1-NH1 2.7Å; E280-R289 PolarHBondContact OE1-NH1 3.31Å; E280-R289 IonicContact OE1-NH2 3.98Å; E280-R289 PolarHBondContact OE1-NH2 3.44Å |
| 281 | D | 87.6 | Confident | 91.5 | Very high | 79 Ų | 79 | 50.8 Ų | 50.8 | 42% | 0.422 | 27% | 0.267 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -23.7 | 167.9 | -63.6 | -46.8 | 0 | 0 | 0 | 112 | K49 N279 M283 | K49-D281 WeakPolarHBondContact CE-OD1 3.39Å; K49-D281 WeakPolarHBondContact CE-OD2 3.26Å; K49-D281 IonicContact NZ-OD1 3.36Å; K49-D281 PolarHBondContact NZ-OD1 2.79Å; K49-D281 IonicContact NZ-OD2 2.67Å; N279-D281 PolarHBondContact ND2-OD2 2.95Å; N279-D281 VanDerWaalsContact ND2-OD2 3.16Å; N279-D281 PolarHBondContact O-N 3.2Å; N279-D281 VanDerWaalsContact OD1-CB 3.23Å; N279-D281 WeakPolarHBondContact OD1-CB 3.43Å; N279-D281 PolarHBondContact OD1-N 2.91Å; D281-M283 PolarHBondContact O-N 3.16Å |
| 282 | D | 90.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 49.1 Ų | 49.1 | 8% | 0.08 | 24% | 0.244 | C | C | . | . | trans | -86.1 | 97.9 | 170.8 | -168.5 | -32.1 | 0 | 0 | 0 | 109.6 | N279 E280 L284 W285 V286 H343 | N279-D282 PolarHBondContact O-N 3.21Å; E280-D282 VanDerWaalsContact C-N 3.3Å; D282-L284 PolarHBondContact O-N 2.81Å; D282-L284 WeakPolarHBondContact OD1-CA 3.45Å; D282-L284 VanDerWaalsContact OD1-CB 3.24Å; D282-L284 WeakPolarHBondContact OD1-CB 3.2Å; D282-L284 PolarHBondContact OD1-N 3.13Å; D282-W285 HydrophobicContact CB-CB 3.83Å; D282-W285 WeakPolarHBondContact O-CB 3.48Å; D282-W285 PolarHBondContact O-N 2.85Å; D282-W285 PolarHBondContact OD1-N 2.55Å; D282-V286 PolarHBondContact O-N 3.46Å; D282-V286 VanDerWaalsContact O-N 3.07Å; D282-H343 IonicContact OD1-NE2 2.98Å; D282-H343 IonicContact OD2-CD2 3.67Å; D282-H343 IonicContact OD2-NE2 2.76Å; D282-H343 PolarHBondContact OD2-NE2 2.87Å | ||
| 283 | M | 89.4 | Confident | 93 | Very high | 134 Ų | 134 | 47.4 Ų | 47.4 | 66% | 0.66 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -65.5 | -22.2 | 178.9 | -66.4 | -58 | -56.7 | 0 | 0 | 113 | D281 K287 | D281-M283 PolarHBondContact O-N 3.16Å; M283-K287 WeakPolarHBondContact O-CB 3.39Å; M283-K287 PolarHBondContact O-N 2.84Å; M283-K287 VanDerWaalsContact O-N 3.16Å |
| 284 | L | 91.1 | Very high | 93.3 | Very high | 18 Ų | 18 | 44.1 Ų | 44.1 | 9% | 0.094 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.8 | -42.2 | 174.6 | -175.2 | 58.9 | 0 | 0 | 0 | 110 | D282 K287 L288 M303 K340 H343 | D282-L284 PolarHBondContact O-N 2.81Å; D282-L284 WeakPolarHBondContact OD1-CA 3.45Å; D282-L284 VanDerWaalsContact OD1-CB 3.24Å; D282-L284 WeakPolarHBondContact OD1-CB 3.2Å; D282-L284 PolarHBondContact OD1-N 3.13Å; L284-K287 PolarHBondContact O-N 3.44Å; L284-L288 HydrophobicContact CD1-CD1 3.54Å; L284-L288 HydrophobicContact CD1-CG 3.98Å; L284-L288 HydrophobicContact CG-CD1 3.76Å; L284-L288 HydrophobicContact CG-CG 4.45Å; L284-L288 WeakPolarHBondContact O-CB 3.37Å; L284-L288 WeakPolarHBondContact O-CG 3.36Å; L284-L288 PolarHBondContact O-N 2.74Å; L284-M303 HydrophobicContact CD1-CE 4.47Å; L284-M303 HydrophobicContact CD1-SD 3.75Å; L284-K340 HydrophobicContact CD2-CB 4.32Å; L284-K340 HydrophobicContact CD2-CG 3.57Å; L284-H343 HydrophobicContact CD2-CB 4.38Å |
| 285 | W | 95 | Very high | 93.5 | Very high | 3 Ų | 3 | 43 Ų | 43 | 1% | 0.011 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.2 | -52.8 | 171 | 176.9 | -116.2 | 0 | 0 | 0 | 111.8 | Y249 Q250 Y254 L278 D282 K287 L288 R289 H343 L346 | Y249-W285 HydrophobicContact CD1-CE3 4.05Å; Y249-W285 AromaticContact CD1-CZ3 3.76Å; Y249-W285 HydrophobicContact CD1-CZ3 3.76Å; Y249-W285 AromaticContact CE1-CE3 3.7Å; Y249-W285 HydrophobicContact CE1-CE3 3.7Å; Y249-W285 AromaticContact CE1-CZ3 3.57Å; Y249-W285 HydrophobicContact CE1-CZ3 3.57Å; Y249-W285 HydrophobicContact CG-CZ3 4.41Å; Q250-W285 HydrophobicContact CB-CH2 3.76Å; Q250-W285 HydrophobicContact CB-CZ2 3.85Å; Q250-W285 HydrophobicContact CG-CH2 4.03Å; Q250-W285 HydrophobicContact CG-CZ2 3.73Å; Y254-W285 HydrophobicContact CE2-CH2 4.14Å; Y254-W285 AromaticContact CE2-CZ2 3.97Å; Y254-W285 HydrophobicContact CE2-CZ2 3.97Å; L278-W285 HydrophobicContact CB-CD2 4.4Å; L278-W285 HydrophobicContact CB-CZ2 4.19Å; L278-W285 HydrophobicContact CD1-CH2 4Å; L278-W285 HydrophobicContact CD1-CZ2 4.29Å; L278-W285 HydrophobicContact CD1-CZ3 4.32Å; L278-W285 HydrophobicContact CD2-CD2 4.48Å; L278-W285 HydrophobicContact CD2-CE3 4.32Å; L278-W285 HydrophobicContact CD2-CZ3 4.48Å; D282-W285 HydrophobicContact CB-CB 3.83Å; D282-W285 WeakPolarHBondContact O-CB 3.48Å; D282-W285 PolarHBondContact O-N 2.85Å; D282-W285 PolarHBondContact OD1-N 2.55Å; W285-K287 PolarHBondContact O-N 3.14Å; W285-L288 PolarHBondContact O-N 2.92Å; W285-R289 HydrophobicContact CD2-CB 4.1Å; W285-R289 HydrophobicContact CE3-CB 4.35Å; W285-R289 HydrophobicContact CZ2-CB 4.19Å; W285-R289 VanDerWaalsContact O-CB 3.26Å; W285-R289 WeakPolarHBondContact O-CB 3.5Å; W285-R289 WeakPolarHBondContact O-CG 3.19Å; W285-R289 PolarHBondContact O-N 3.08Å; W285-H343 AromaticContact CE3-CE1 3.5Å; W285-H343 AromaticContact CE3-ND1 3.99Å; W285-L346 HydrophobicContact CZ3-CD2 4.27Å |
| 286 | V | 94.6 | Very high | 93.6 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 27% | 0.267 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -56.5 | -39.1 | 179.4 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | E280 D282 | E280-V286 HydrophobicContact CB-CG2 3.95Å; E280-V286 HydrophobicContact CG-CG2 4.02Å; D282-V286 PolarHBondContact O-N 3.46Å; D282-V286 VanDerWaalsContact O-N 3.07Å |
| 287 | K | 93.8 | Very high | 93.4 | Very high | 81 Ų | 81 | 39.1 Ų | 39.1 | 35% | 0.352 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -68.7 | -39.9 | 178 | -177 | 178.6 | 174.8 | -177.8 | 0 | 112.3 | M1 M283 L284 W285 H291 M303 | M1-K287 HydrophobicContact CE-CG 4.44Å; M1-K287 HydrophobicContact SD-CG 4.46Å; M283-K287 WeakPolarHBondContact O-CB 3.39Å; M283-K287 PolarHBondContact O-N 2.84Å; M283-K287 VanDerWaalsContact O-N 3.16Å; L284-K287 PolarHBondContact O-N 3.44Å; W285-K287 PolarHBondContact O-N 3.14Å; K287-H291 PolarHBondContact O-CE1 3.29Å; K287-H291 PolarHBondContact O-ND1 2.83Å; K287-M303 HydrophobicContact CD-CE 4.33Å |
| 288 | L | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -97.2 | -23 | -169.3 | -64.1 | 176.9 | 0 | 0 | 0 | 114.4 | Y249 L284 W285 H290 H291 V296 I300 M303 | Y249-L288 HydrophobicContact CD1-CB 3.91Å; Y249-L288 HydrophobicContact CE1-CB 4.22Å; L284-L288 HydrophobicContact CD1-CD1 3.54Å; L284-L288 HydrophobicContact CD1-CG 3.98Å; L284-L288 HydrophobicContact CG-CD1 3.76Å; L284-L288 HydrophobicContact CG-CG 4.45Å; L284-L288 WeakPolarHBondContact O-CB 3.37Å; L284-L288 WeakPolarHBondContact O-CG 3.36Å; L284-L288 PolarHBondContact O-N 2.74Å; W285-L288 PolarHBondContact O-N 2.92Å; L288-H290 PolarHBondContact O-N 3.29Å; L288-H291 WeakPolarHBondContact O-CB 3.39Å; L288-H291 PolarHBondContact O-N 2.81Å; L288-V296 HydrophobicContact CB-CG2 4.2Å; L288-V296 HydrophobicContact CD1-CG1 4.31Å; L288-V296 HydrophobicContact CD2-CG2 4.33Å; L288-I300 HydrophobicContact CD1-CD1 4.09Å; L288-I300 HydrophobicContact CD1-CG1 3.76Å; L288-M303 HydrophobicContact CD2-CE 4.49Å |
| 289 | R | 97.2 | Very high | 93.1 | Very high | 6 Ų | 6 | 41.9 Ų | 41.9 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -31.8 | -168.2 | 61.5 | 171.1 | -174.6 | -150.9 | -9.9 | 114.9 | E141 Q250 E280 W285 Y545 | E141-R289 VanDerWaalsContact CD-CZ 3.5Å; E141-R289 IonicContact OE1-CZ 3.33Å; E141-R289 IonicContact OE1-NE 3.92Å; E141-R289 IonicContact OE1-NH1 2.61Å; E141-R289 PolarHBondContact OE1-NH1 3.43Å; E141-R289 IonicContact OE2-CZ 3.32Å; E141-R289 IonicContact OE2-NE 3.62Å; E141-R289 IonicContact OE2-NH1 3.74Å; E141-R289 PolarHBondContact OE2-NH1 2.99Å; E141-R289 IonicContact OE2-NH2 3.93Å; Q250-R289 HydrophobicContact CB-CB 3.86Å; Q250-R289 VanDerWaalsContact CB-O 3.28Å; Q250-R289 WeakPolarHBondContact CB-O 3.27Å; Q250-R289 PolarHBondContact N-O 3.5Å; E280-R289 IonicContact OE1-CZ 2.63Å; E280-R289 IonicContact OE1-NH1 2.7Å; E280-R289 PolarHBondContact OE1-NH1 3.31Å; E280-R289 IonicContact OE1-NH2 3.98Å; E280-R289 PolarHBondContact OE1-NH2 3.44Å; W285-R289 HydrophobicContact CD2-CB 4.1Å; W285-R289 HydrophobicContact CE3-CB 4.35Å; W285-R289 HydrophobicContact CZ2-CB 4.19Å; W285-R289 VanDerWaalsContact O-CB 3.26Å; W285-R289 WeakPolarHBondContact O-CB 3.5Å; W285-R289 WeakPolarHBondContact O-CG 3.19Å; W285-R289 PolarHBondContact O-N 3.08Å; R289-Y545 VanDerWaalsContact NH2-CZ 3.27Å; R289-Y545 PolarHBondContact NH2-OH 2.97Å |
| 290 | H | 97.6 | Very high | 92.9 | Very high | 38 Ų | 38 | 40.1 Ų | 40.1 | 18% | 0.176 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -1.6 | -178.8 | -60.7 | -33.3 | 0 | 0 | 0 | 114.3 | Q250 L288 R542 Y545 | Q250-H290 PolarHBondContact OE1-CE1 2.89Å; Q250-H290 VanDerWaalsContact OE1-CE1 3.3Å; L288-H290 PolarHBondContact O-N 3.29Å; H290-R542 HydrophobicContact CB-CG 3.93Å; H290-Y545 AromaticContact CD2-CD2 3.79Å; H290-Y545 AromaticContact CD2-CG 3.83Å; H290-Y545 AromaticContact CE1-CD2 3.8Å; H290-Y545 AromaticContact CE1-CE2 3.89Å; H290-Y545 AromaticContact NE2-CD2 3.14Å; H290-Y545 WeakPolarHBondContact NE2-CD2 3.19Å; H290-Y545 AromaticContact NE2-CE2 3.32Å; H290-Y545 VanDerWaalsContact NE2-CE2 3.32Å; H290-Y545 WeakPolarHBondContact NE2-CE2 3.43Å; H290-Y545 AromaticContact NE2-CG 3.59Å; H290-Y545 AromaticContact NE2-CZ 3.92Å |
| 291 | H | 97 | Very high | 92.5 | Very high | 53 Ų | 53 | 40.2 Ų | 40.2 | 25% | 0.245 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -81.2 | 154.8 | 177.2 | -69.3 | 62.9 | 0 | 0 | 0 | 110.9 | T248 Y249 K287 L288 E295 V296 | T248-H291 CarbonylContact C-O 3.57Å; T248-H291 WeakPolarHBondContact CA-O 3.35Å; Y249-H291 PolarHBondContact N-O 2.93Å; K287-H291 PolarHBondContact O-CE1 3.29Å; K287-H291 PolarHBondContact O-ND1 2.83Å; L288-H291 WeakPolarHBondContact O-CB 3.39Å; L288-H291 PolarHBondContact O-N 2.81Å; H291-E295 IonicContact CD2-OE2 2.69Å; H291-E295 PolarHBondContact CD2-OE2 3.18Å; H291-V296 HydrophobicContact CB-CG2 3.85Å |
| 292 | H | 97.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 10% | 0.102 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -66 | 143.5 | 173.7 | -172.7 | -96 | 0 | 0 | 0 | 110.9 | L247 A294 E295 V296 Y466 | L247-H292 WeakPolarHBondContact CB-NE2 3.26Å; H292-A294 WeakPolarHBondContact ND1-CB 3.36Å; H292-A294 PolarHBondContact ND1-N 3Å; H292-A294 PolarHBondContact O-N 3.41Å; H292-A294 VanDerWaalsContact O-N 3.16Å; H292-E295 HydrophobicContact CB-CG 4.49Å; H292-E295 WeakPolarHBondContact O-CB 3.07Å; H292-E295 PolarHBondContact O-N 2.71Å; H292-V296 PolarHBondContact O-N 3.05Å; H292-V296 VanDerWaalsContact O-N 3.11Å; H292-Y466 HydrophobicContact CB-CD2 4.13Å; H292-Y466 HydrophobicContact CB-CE2 3.63Å; H292-Y466 AromaticContact CD2-CD2 3.81Å; H292-Y466 AromaticContact CE1-CD1 3.59Å; H292-Y466 AromaticContact CE1-CE1 3.84Å; H292-Y466 AromaticContact CE1-CG 3.79Å; H292-Y466 AromaticContact CG-CD2 3.71Å; H292-Y466 AromaticContact CG-CE2 3.58Å; H292-Y466 AromaticContact CG-CZ 3.86Å; H292-Y466 AromaticContact ND1-CD1 3.74Å; H292-Y466 AromaticContact ND1-CD2 3.95Å; H292-Y466 AromaticContact ND1-CE1 3.53Å; H292-Y466 AromaticContact ND1-CE2 3.76Å; H292-Y466 AromaticContact ND1-CG 3.95Å; H292-Y466 AromaticContact ND1-CZ 3.55Å; H292-Y466 AromaticContact NE2-CG 3.84Å |
| 293 | I | 95.9 | Very high | 92 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -35.2 | -174.6 | -171.6 | 62.2 | 0 | 0 | 0 | 112.9 | L247 Y249 M252 E295 V296 S297 A347 C350 M351 | L247-I293 HydrophobicContact CB-CG2 4.35Å; L247-I293 WeakPolarHBondContact O-CB 3.41Å; L247-I293 PolarHBondContact O-N 2.98Å; Y249-I293 HydrophobicContact CD2-CD1 3.95Å; Y249-I293 HydrophobicContact CE2-CD1 4.45Å; M252-I293 HydrophobicContact CE-CG1 4.45Å; M252-I293 HydrophobicContact CE-CG2 4.46Å; M252-I293 HydrophobicContact SD-CB 3.7Å; M252-I293 HydrophobicContact SD-CD1 4.23Å; M252-I293 HydrophobicContact SD-CG1 3.72Å; M252-I293 HydrophobicContact SD-CG2 3.83Å; I293-E295 VanDerWaalsContact C-N 3.3Å; I293-E295 PolarHBondContact O-N 2.7Å; I293-V296 PolarHBondContact O-N 2.83Å; I293-S297 PolarHBondContact O-N 2.77Å; I293-S297 PolarHBondContact O-OG 2.98Å; I293-A347 HydrophobicContact CD1-CB 4.13Å; I293-C350 HydrophobicContact CD1-CB 4.29Å; I293-M351 HydrophobicContact CB-SD 4.46Å; I293-M351 HydrophobicContact CG1-CG 3.97Å; I293-M351 HydrophobicContact CG1-SD 3.6Å; I293-M351 VanDerWaalsContact CG1-SD 3.6Å; I293-M351 HydrophobicContact CG2-SD 3.99Å |
| 294 | A | 93.4 | Very high | 91.4 | Very high | 46 Ų | 46 | 35.4 Ų | 35.4 | 38% | 0.38 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59.5 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H292 E298 Y466 | H292-A294 WeakPolarHBondContact ND1-CB 3.36Å; H292-A294 PolarHBondContact ND1-N 3Å; H292-A294 PolarHBondContact O-N 3.41Å; H292-A294 VanDerWaalsContact O-N 3.16Å; A294-E298 PolarHBondContact O-N 2.75Å; A294-Y466 HydrophobicContact CB-CE1 4.01Å |
| 295 | E | 94.3 | Very high | 90.8 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 28% | 0.276 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.7 | -41.2 | 177.7 | -59.1 | 174.1 | -160.5 | 0 | 0 | 110.7 | H291 H292 I293 S297 E298 Q299 Y466 | H291-E295 IonicContact CD2-OE2 2.69Å; H291-E295 PolarHBondContact CD2-OE2 3.18Å; H292-E295 HydrophobicContact CB-CG 4.49Å; H292-E295 WeakPolarHBondContact O-CB 3.07Å; H292-E295 PolarHBondContact O-N 2.71Å; I293-E295 VanDerWaalsContact C-N 3.3Å; I293-E295 PolarHBondContact O-N 2.7Å; E295-S297 PolarHBondContact O-N 3.37Å; E295-E298 PolarHBondContact O-N 3.13Å; E295-E298 VanDerWaalsContact O-N 3.16Å; E295-Q299 VanDerWaalsContact O-CB 3.23Å; E295-Q299 WeakPolarHBondContact O-CB 3.43Å; E295-Q299 WeakPolarHBondContact O-CG 3.32Å; E295-Q299 PolarHBondContact O-N 3.29Å; E295-Y466 WeakPolarHBondContact CG-OH 3.2Å; E295-Y466 PolarHBondContact OE1-OH 3.36Å |
| 296 | V | 94.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.2 | -46 | 178 | 173.1 | 0 | 0 | 0 | 0 | 111 | Y249 L288 H291 H292 I293 E298 Q299 I300 A347 | Y249-V296 HydrophobicContact CD1-CG1 4.1Å; Y249-V296 HydrophobicContact CD1-CG2 4.28Å; Y249-V296 HydrophobicContact CD2-CG1 4.2Å; Y249-V296 HydrophobicContact CE1-CG1 4.16Å; Y249-V296 HydrophobicContact CE2-CG1 4.26Å; Y249-V296 HydrophobicContact CG-CG1 4.12Å; Y249-V296 HydrophobicContact CG-CG2 4.14Å; L288-V296 HydrophobicContact CB-CG2 4.2Å; L288-V296 HydrophobicContact CD1-CG1 4.31Å; L288-V296 HydrophobicContact CD2-CG2 4.33Å; H291-V296 HydrophobicContact CB-CG2 3.85Å; H292-V296 PolarHBondContact O-N 3.05Å; H292-V296 VanDerWaalsContact O-N 3.11Å; I293-V296 PolarHBondContact O-N 2.83Å; V296-E298 PolarHBondContact O-N 2.85Å; V296-Q299 PolarHBondContact O-N 2.85Å; V296-I300 HydrophobicContact CG1-CD1 3.54Å; V296-I300 HydrophobicContact CG1-CG1 4.28Å; V296-I300 WeakPolarHBondContact O-CG1 3.26Å; V296-I300 PolarHBondContact O-N 3.02Å; V296-I300 VanDerWaalsContact O-N 3.12Å; V296-A347 HydrophobicContact CG1-CB 4.24Å |
| 297 | S | 89.7 | Confident | 89.1 | Confident | 45 Ų | 45 | 44 Ų | 44 | 32% | 0.315 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.3 | -28.7 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | I293 E295 P301 | I293-S297 PolarHBondContact O-N 2.77Å; I293-S297 PolarHBondContact O-OG 2.98Å; E295-S297 PolarHBondContact O-N 3.37Å; S297-P301 WeakPolarHBondContact O-CD 3.41Å; S297-P301 WeakPolarHBondContact O-CG 3.37Å |
| 298 | E | 90.1 | Very high | 87.8 | Confident | 112 Ų | 112 | 41.1 Ų | 41.1 | 52% | 0.523 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -84.8 | -38.8 | 176.1 | -164.2 | -169.5 | 176.9 | 0 | 0 | 112.7 | A294 E295 V296 P301 K302 | A294-E298 PolarHBondContact O-N 2.75Å; E295-E298 PolarHBondContact O-N 3.13Å; E295-E298 VanDerWaalsContact O-N 3.16Å; V296-E298 PolarHBondContact O-N 2.85Å; E298-P301 WeakPolarHBondContact O-CD 3.3Å; E298-K302 HydrophobicContact CG-CD 4.5Å; E298-K302 WeakPolarHBondContact O-CG 3.37Å; E298-K302 VanDerWaalsContact OE1-CE 3.24Å; E298-K302 WeakPolarHBondContact OE1-CE 3.19Å; E298-K302 IonicContact OE1-NZ 3.12Å; E298-K302 PolarHBondContact OE1-NZ 2.87Å; E298-K302 IonicContact OE2-NZ 2.66Å |
| 299 | Q | 89.6 | Confident | 86.3 | Confident | 45 Ų | 45 | 44.5 Ų | 44.5 | 21% | 0.21 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.6 | -42.2 | -174.5 | -79 | -171.7 | 39.8 | 0 | 0 | 112.9 | E295 V296 K302 M303 | E295-Q299 VanDerWaalsContact O-CB 3.23Å; E295-Q299 WeakPolarHBondContact O-CB 3.43Å; E295-Q299 WeakPolarHBondContact O-CG 3.32Å; E295-Q299 PolarHBondContact O-N 3.29Å; V296-Q299 PolarHBondContact O-N 2.85Å; Q299-K302 PolarHBondContact O-N 3.02Å; Q299-M303 HydrophobicContact CB-CE 4.14Å; Q299-M303 WeakPolarHBondContact O-CG 3.41Å; Q299-M303 PolarHBondContact O-N 2.94Å |
| 300 | I | 85.7 | Confident | 84.7 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.1 | -49.1 | -176.6 | -64.6 | 164.2 | 0 | 0 | 0 | 111.5 | L288 V296 K302 M303 V304 H343 L344 A347 | L288-I300 HydrophobicContact CD1-CD1 4.09Å; L288-I300 HydrophobicContact CD1-CG1 3.76Å; V296-I300 HydrophobicContact CG1-CD1 3.54Å; V296-I300 HydrophobicContact CG1-CG1 4.28Å; V296-I300 WeakPolarHBondContact O-CG1 3.26Å; V296-I300 PolarHBondContact O-N 3.02Å; V296-I300 VanDerWaalsContact O-N 3.12Å; I300-K302 VanDerWaalsContact C-N 3.34Å; I300-K302 PolarHBondContact O-N 3.16Å; I300-M303 PolarHBondContact O-N 3.3Å; I300-V304 WeakPolarHBondContact O-CG2 3.47Å; I300-V304 PolarHBondContact O-N 3.1Å; I300-V304 VanDerWaalsContact O-N 3.13Å; I300-H343 HydrophobicContact CD1-CB 3.82Å; I300-L344 HydrophobicContact CG2-CB 3.96Å; I300-L344 HydrophobicContact CG2-CD1 4.18Å; I300-A347 HydrophobicContact CD1-CB 4.34Å |
| 301 | P | 83.4 | Confident | 82.8 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 25% | 0.253 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -38.7 | 175.8 | -24.8 | 35.2 | 0 | 0 | 0 | 113.5 | S297 E298 M303 V304 K305 I318 L344 | S297-P301 WeakPolarHBondContact O-CD 3.41Å; S297-P301 WeakPolarHBondContact O-CG 3.37Å; E298-P301 WeakPolarHBondContact O-CD 3.3Å; P301-M303 PolarHBondContact O-N 3.18Å; P301-V304 PolarHBondContact O-N 3.45Å; P301-K305 PolarHBondContact O-N 3.28Å; P301-I318 HydrophobicContact CB-CD1 4.08Å; P301-I318 WeakPolarHBondContact O-CD1 3.41Å; P301-L344 HydrophobicContact CG-CD1 4.43Å |
| 302 | K | 85.3 | Confident | 80.9 | Confident | 102 Ų | 102 | 60.8 Ų | 60.8 | 44% | 0.443 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176 | -72.2 | 175.9 | -178.9 | 173.3 | 0 | 111.2 | E298 Q299 I300 V304 K305 E306 | E298-K302 HydrophobicContact CG-CD 4.5Å; E298-K302 WeakPolarHBondContact O-CG 3.37Å; E298-K302 VanDerWaalsContact OE1-CE 3.24Å; E298-K302 WeakPolarHBondContact OE1-CE 3.19Å; E298-K302 IonicContact OE1-NZ 3.12Å; E298-K302 PolarHBondContact OE1-NZ 2.87Å; E298-K302 IonicContact OE2-NZ 2.66Å; Q299-K302 PolarHBondContact O-N 3.02Å; I300-K302 VanDerWaalsContact C-N 3.34Å; I300-K302 PolarHBondContact O-N 3.16Å; K302-V304 VanDerWaalsContact C-N 3.25Å; K302-V304 PolarHBondContact O-N 3.39Å; K302-K305 WeakPolarHBondContact O-CB 3.39Å; K302-K305 PolarHBondContact O-N 2.67Å; K302-K305 VanDerWaalsContact O-N 3.11Å; K302-E306 WeakPolarHBondContact O-CG 3.45Å; K302-E306 PolarHBondContact O-N 2.85Å |
| 303 | M | 82.3 | Confident | 78.9 | Confident | 22 Ų | 22 | 63.8 Ų | 63.8 | 11% | 0.108 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66 | -24.1 | 178.2 | -65.6 | -174.9 | -159.1 | 0 | 0 | 113.8 | L284 K287 L288 Q299 I300 P301 K340 | L284-M303 HydrophobicContact CD1-CE 4.47Å; L284-M303 HydrophobicContact CD1-SD 3.75Å; K287-M303 HydrophobicContact CD-CE 4.33Å; L288-M303 HydrophobicContact CD2-CE 4.49Å; Q299-M303 HydrophobicContact CB-CE 4.14Å; Q299-M303 WeakPolarHBondContact O-CG 3.41Å; Q299-M303 PolarHBondContact O-N 2.94Å; I300-M303 PolarHBondContact O-N 3.3Å; P301-M303 PolarHBondContact O-N 3.18Å; M303-K340 PolarHBondContact O-NZ 3.22Å |
| 304 | V | 76.7 | Confident | 76.9 | Confident | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.012 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -75.9 | -42.7 | 171.8 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | I300 P301 K302 E306 I307 S308 I318 L323 K340 | I300-V304 WeakPolarHBondContact O-CG2 3.47Å; I300-V304 PolarHBondContact O-N 3.1Å; I300-V304 VanDerWaalsContact O-N 3.13Å; P301-V304 PolarHBondContact O-N 3.45Å; K302-V304 VanDerWaalsContact C-N 3.25Å; K302-V304 PolarHBondContact O-N 3.39Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-E306 PolarHBondContact O-N 2.92Å; V304-I307 PolarHBondContact O-N 3.33Å; V304-S308 PolarHBondContact O-N 2.98Å; V304-I318 HydrophobicContact CB-CD1 3.69Å; V304-I318 HydrophobicContact CB-CG2 4.4Å; V304-I318 HydrophobicContact CG1-CD1 3.64Å; V304-I318 HydrophobicContact CG1-CG1 4.01Å; V304-I318 HydrophobicContact CG1-CG2 3.8Å; V304-L323 HydrophobicContact CB-CD2 4.4Å; V304-L323 HydrophobicContact CG1-CD2 3.42Å; V304-L323 VanDerWaalsContact CG1-CD2 3.42Å; V304-L323 HydrophobicContact CG1-CG 4.36Å; V304-L323 HydrophobicContact CG2-CD2 4.03Å; V304-K340 HydrophobicContact CG2-CB 4.08Å; V304-K340 HydrophobicContact CG2-CD 3.97Å; V304-K340 HydrophobicContact CG2-CG 4.48Å |
| 305 | K | 78.2 | Confident | 75 | Confident | 96 Ų | 96 | 74.2 Ų | 74.2 | 42% | 0.417 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 176.8 | -96.3 | 169.8 | -173 | -157 | 0 | 112.3 | P301 K302 I307 S308 A309 I318 | P301-K305 PolarHBondContact O-N 3.28Å; K302-K305 WeakPolarHBondContact O-CB 3.39Å; K302-K305 PolarHBondContact O-N 2.67Å; K302-K305 VanDerWaalsContact O-N 3.11Å; K305-I307 VanDerWaalsContact C-N 3.29Å; K305-I307 PolarHBondContact O-N 3.19Å; K305-S308 WeakPolarHBondContact CA-OG 3.25Å; K305-S308 PolarHBondContact O-N 2.93Å; K305-S308 VanDerWaalsContact O-N 3.17Å; K305-S308 PolarHBondContact O-OG 3.46Å; K305-A309 VanDerWaalsContact O-CB 3.23Å; K305-A309 WeakPolarHBondContact O-CB 3.4Å; K305-A309 PolarHBondContact O-N 2.96Å; K305-I318 HydrophobicContact CB-CD1 4.24Å; K305-I318 HydrophobicContact CD-CD1 4.15Å; K305-I318 HydrophobicContact CG-CD1 3.57Å; K305-I318 HydrophobicContact CG-CG1 4.25Å |
| 306 | E | 79.4 | Confident | 73.4 | Confident | 133 Ų | 133 | 73.4 Ų | 73.4 | 62% | 0.621 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.7 | -38.4 | 176.5 | -72.8 | 169.5 | -174.7 | 0 | 0 | 112.3 | K302 V304 S310 | K302-E306 WeakPolarHBondContact O-CG 3.45Å; K302-E306 PolarHBondContact O-N 2.85Å; V304-E306 VanDerWaalsContact C-N 3.31Å; V304-E306 PolarHBondContact O-N 2.92Å; E306-S310 PolarHBondContact O-N 3.06Å |
| 307 | I | 73.3 | Confident | 72 | Confident | 16 Ų | 16 | 82 Ų | 82 | 8% | 0.082 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -65.1 | -44.3 | 174.5 | -66.2 | 178.7 | 0 | 0 | 0 | 110.4 | V304 K305 S310 F333 L337 K340 | V304-I307 PolarHBondContact O-N 3.33Å; K305-I307 VanDerWaalsContact C-N 3.29Å; K305-I307 PolarHBondContact O-N 3.19Å; I307-S310 PolarHBondContact O-OG 3.5Å; I307-F333 HydrophobicContact CG2-CG 4.49Å; I307-L337 HydrophobicContact CD1-CD2 4.41Å; I307-K340 HydrophobicContact CD1-CD 4.07Å |
| 308 | S | 67.2 | Low | 71 | Confident | 21 Ų | 21 | 81.7 Ų | 81.7 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -72.2 | -37 | -178 | 63 | 0 | 0 | 0 | 0 | 113.4 | V304 K305 S310 K311 | V304-S308 PolarHBondContact O-N 2.98Å; K305-S308 WeakPolarHBondContact CA-OG 3.25Å; K305-S308 PolarHBondContact O-N 2.93Å; K305-S308 VanDerWaalsContact O-N 3.17Å; K305-S308 PolarHBondContact O-OG 3.46Å; S308-S310 VanDerWaalsContact C-N 3.33Å; S308-S310 PolarHBondContact O-N 3.39Å; S308-K311 PolarHBondContact O-N 2.95Å |
| 309 | A | 64.8 | Low | 70.1 | Confident | 71 Ų | 71 | 79.1 Ų | 79.1 | 59% | 0.587 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -66.2 | -33.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K305 K311 K312 | K305-A309 VanDerWaalsContact O-CB 3.23Å; K305-A309 WeakPolarHBondContact O-CB 3.4Å; K305-A309 PolarHBondContact O-N 2.96Å; A309-K311 PolarHBondContact O-N 3.38Å; A309-K312 PolarHBondContact O-N 3.37Å |
| 310 | S | 62.7 | Low | 69.2 | Low | 83 Ų | 83 | 78.3 Ų | 78.3 | 58% | 0.58 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -15.9 | 176.3 | 74.3 | 0 | 0 | 0 | 0 | 114.1 | E306 I307 S308 | E306-S310 PolarHBondContact O-N 3.06Å; I307-S310 PolarHBondContact O-OG 3.5Å; S308-S310 VanDerWaalsContact C-N 3.33Å; S308-S310 PolarHBondContact O-N 3.39Å |
| 311 | K | 59.1 | Low | 68.5 | Low | 149 Ų | 149 | 80.7 Ų | 80.7 | 65% | 0.648 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.4 | 29.7 | -179.4 | -64.5 | -152 | 175.4 | -167 | 0 | 115.9 | S308 A309 Q313 | S308-K311 PolarHBondContact O-N 2.95Å; A309-K311 PolarHBondContact O-N 3.38Å; K311-Q313 PolarHBondContact O-N 2.98Å |
| 312 | K | 55.6 | Low | 68 | Low | 207 Ų | 207 | 81.9 Ų | 81.9 | 90% | 0.9 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 50.7 | 172.4 | -61.5 | -177.7 | 177.2 | -178.7 | 0 | 114.4 | A309 | A309-K312 PolarHBondContact O-N 3.37Š|
| 313 | Q | 56.7 | Low | 67.4 | Low | 85 Ų | 85 | 77.1 Ų | 77.1 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | trans | -86.1 | 150 | 166.9 | -74.1 | -94.6 | -53.5 | 0 | 0 | 110.6 | K311 | K311-Q313 PolarHBondContact O-N 2.98Š| ||
| 314 | P | 53.2 | Low | 67 | Low | 115 Ų | 115 | 78.4 Ų | 78.4 | 75% | 0.747 | 43% | 0.429 | S | S | * | . | trans | -65.5 | 148.2 | -178.1 | 25.8 | -32.1 | 0 | 0 | 0 | 112.4 | G316 | P314-G316 PolarHBondContact O-N 3.13Š| ||
| 315 | D | 53 | Low | 66.9 | Low | 156 Ų | 156 | 83.7 Ų | 83.7 | 83% | 0.834 | 45% | 0.453 | S | S | * | . | trans | -73.6 | 82.8 | -175.9 | -151 | 1.8 | 0 | 0 | 0 | 110.5 | ||||
| 316 | G | 61.8 | Low | 66.6 | Low | 42 Ų | 42 | 80 Ų | 80 | 43% | 0.433 | 44% | 0.437 | S | S | . | . | trans | -112.5 | 154.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P314 I318 | P314-G316 PolarHBondContact O-N 3.13Å; G316-I318 PolarHBondContact O-N 2.98Å | ||
| 317 | K | 64.9 | Low | 66.5 | Low | 181 Ų | 181 | 75.6 Ų | 75.6 | 79% | 0.787 | 42% | 0.417 | S | S | * | . | trans | -58.1 | 126.2 | 171.5 | -163 | 173.7 | -177.2 | 178.7 | 0 | 109.2 | T319 N322 | K317-T319 PolarHBondContact O-N 3.33Å; K317-N322 PolarHBondContact O-ND2 2.83Å | ||
| 318 | I | 67.4 | Low | 66.8 | Low | 38 Ų | 38 | 83.6 Ų | 83.6 | 20% | 0.195 | 45% | 0.452 | C | S | . | . | trans | -69 | 123.8 | 177.4 | -64.4 | 163.6 | 0 | 0 | 0 | 107.7 | P301 V304 K305 G316 L323 | P301-I318 HydrophobicContact CB-CD1 4.08Å; P301-I318 WeakPolarHBondContact O-CD1 3.41Å; V304-I318 HydrophobicContact CB-CD1 3.69Å; V304-I318 HydrophobicContact CB-CG2 4.4Å; V304-I318 HydrophobicContact CG1-CD1 3.64Å; V304-I318 HydrophobicContact CG1-CG1 4.01Å; V304-I318 HydrophobicContact CG1-CG2 3.8Å; K305-I318 HydrophobicContact CB-CD1 4.24Å; K305-I318 HydrophobicContact CD-CD1 4.15Å; K305-I318 HydrophobicContact CG-CD1 3.57Å; K305-I318 HydrophobicContact CG-CG1 4.25Å; G316-I318 PolarHBondContact O-N 2.98Å; I318-L323 HydrophobicContact CG2-CD1 4.15Å; I318-L323 HydrophobicContact CG2-CG 4.18Å | ||
| 319 | T | 71.4 | Confident | 67.4 | Low | 57 Ų | 57 | 89.5 Ų | 89.5 | 35% | 0.35 | 48% | 0.475 | S | S | . | . | trans | -128.1 | 158.1 | 170.4 | 65.2 | 0 | 0 | 0 | 0 | 108.5 | K317 S321 N322 L323 | K317-T319 PolarHBondContact O-N 3.33Å; T319-S321 PolarHBondContact O-N 3.46Å; T319-S321 WeakPolarHBondContact OG1-CB 3.47Å; T319-S321 PolarHBondContact OG1-N 3.46Å; T319-N322 PolarHBondContact O-N 2.9Å; T319-N322 PolarHBondContact OG1-N 3.37Å; T319-L323 PolarHBondContact O-N 2.78Å; T319-L323 VanDerWaalsContact O-N 3.09Å | ||
| 320 | I | 71.9 | Confident | 67.9 | Low | 28 Ų | 28 | 87.3 Ų | 87.3 | 14% | 0.144 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -55.1 | -27.3 | 172.9 | -60 | 174.1 | 0 | 0 | 0 | 111.4 | K269 A324 T341 L344 | K269-I320 HydrophobicContact CD-CG2 4.4Å; I320-A324 PolarHBondContact O-N 3.34Å; I320-A324 VanDerWaalsContact O-N 3.13Å; I320-T341 HydrophobicContact CG2-CG2 4.09Å; I320-L344 HydrophobicContact CG1-CD2 4.08Å |
| 321 | S | 70.1 | Confident | 68.7 | Low | 51 Ų | 51 | 88.3 Ų | 88.3 | 36% | 0.357 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.8 | -47.5 | 175.2 | -143.5 | 0 | 0 | 0 | 0 | 112.2 | K269 T319 L323 A324 Q325 | K269-S321 VanDerWaalsContact NZ-CA 3.34Å; K269-S321 VanDerWaalsContact NZ-CB 3.25Å; T319-S321 PolarHBondContact O-N 3.46Å; T319-S321 WeakPolarHBondContact OG1-CB 3.47Å; T319-S321 PolarHBondContact OG1-N 3.46Å; S321-L323 VanDerWaalsContact C-N 3.32Å; S321-A324 PolarHBondContact O-N 3.03Å; S321-Q325 PolarHBondContact O-N 2.92Å |
| 322 | N | 72.6 | Confident | 69.7 | Low | 65 Ų | 65 | 86.1 Ų | 86.1 | 35% | 0.348 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | -178.7 | -64.4 | -6.9 | 0 | 0 | 0 | 110 | K317 T319 Q325 M326 | K317-N322 PolarHBondContact O-ND2 2.83Å; T319-N322 PolarHBondContact O-N 2.9Å; T319-N322 PolarHBondContact OG1-N 3.37Å; N322-Q325 PolarHBondContact O-N 3.23Å; N322-M326 VanDerWaalsContact O-CG 3.29Å; N322-M326 WeakPolarHBondContact O-CG 3.31Å; N322-M326 PolarHBondContact O-N 3.39Å |
| 323 | L | 72.6 | Confident | 70.8 | Confident | 1 Ų | 1 | 79.2 Ų | 79.2 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -59.5 | -46.6 | 175 | -76.5 | 171.5 | 0 | 0 | 0 | 112.6 | V304 I318 T319 S321 Q325 M326 M327 L337 L344 | V304-L323 HydrophobicContact CB-CD2 4.4Å; V304-L323 HydrophobicContact CG1-CD2 3.42Å; V304-L323 VanDerWaalsContact CG1-CD2 3.42Å; V304-L323 HydrophobicContact CG1-CG 4.36Å; V304-L323 HydrophobicContact CG2-CD2 4.03Å; I318-L323 HydrophobicContact CG2-CD1 4.15Å; I318-L323 HydrophobicContact CG2-CG 4.18Å; T319-L323 PolarHBondContact O-N 2.78Å; T319-L323 VanDerWaalsContact O-N 3.09Å; S321-L323 VanDerWaalsContact C-N 3.32Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 3.04Å; L323-M326 WeakPolarHBondContact O-CB 3.36Å; L323-M326 PolarHBondContact O-N 3.08Å; L323-M326 VanDerWaalsContact O-N 3.16Å; L323-M327 WeakPolarHBondContact O-CG 3.19Å; L323-M327 PolarHBondContact O-N 3.03Å; L323-L337 HydrophobicContact CD2-CD2 3.73Å; L323-L344 HydrophobicContact CD1-CD2 3.94Å |
| 324 | A | 74.7 | Confident | 71.9 | Confident | 50 Ų | 50 | 82.8 Ų | 82.8 | 41% | 0.413 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.4 | -37.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | I320 S321 K328 | I320-A324 PolarHBondContact O-N 3.34Å; I320-A324 VanDerWaalsContact O-N 3.13Å; S321-A324 PolarHBondContact O-N 3.03Å; A324-K328 PolarHBondContact O-N 2.83Å |
| 325 | Q | 75.1 | Confident | 73.3 | Confident | 113 Ų | 113 | 84.1 Ų | 84.1 | 53% | 0.528 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.8 | -39.5 | 173.8 | -68.8 | -176.7 | -4.1 | 0 | 0 | 112.1 | S321 N322 L323 M327 K328 K329 | S321-Q325 PolarHBondContact O-N 2.92Å; N322-Q325 PolarHBondContact O-N 3.23Å; L323-Q325 VanDerWaalsContact C-N 3.32Å; L323-Q325 PolarHBondContact O-N 3.04Å; Q325-M327 VanDerWaalsContact C-N 3.33Å; Q325-M327 PolarHBondContact O-N 3.05Å; Q325-K328 PolarHBondContact O-N 3.14Å; Q325-K329 PolarHBondContact O-N 3.23Å; Q325-K329 VanDerWaalsContact O-N 3.16Å |
| 326 | M | 72 | Confident | 74.7 | Confident | 17 Ų | 17 | 81 Ų | 81 | 8% | 0.084 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 175 | -73.4 | 175.6 | 67.9 | 0 | 0 | 111.7 | N322 L323 K328 K329 M330 L337 | N322-M326 VanDerWaalsContact O-CG 3.29Å; N322-M326 WeakPolarHBondContact O-CG 3.31Å; N322-M326 PolarHBondContact O-N 3.39Å; L323-M326 WeakPolarHBondContact O-CB 3.36Å; L323-M326 PolarHBondContact O-N 3.08Å; L323-M326 VanDerWaalsContact O-N 3.16Å; M326-K328 VanDerWaalsContact C-N 3.28Å; M326-K328 PolarHBondContact O-N 2.86Å; M326-K329 CarbonylContact O-C 3.45Å; M326-K329 PolarHBondContact O-N 3.09Å; M326-K329 VanDerWaalsContact O-N 3.1Å; M326-M330 WeakPolarHBondContact O-CB 3.25Å; M326-M330 PolarHBondContact O-N 3.33Å; M326-L337 HydrophobicContact CB-CD1 4.18Å; M326-L337 HydrophobicContact CE-CD2 4.49Å |
| 327 | M | 76.9 | Confident | 75.6 | Confident | 41 Ų | 41 | 79 Ų | 79 | 20% | 0.202 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.2 | -37.7 | 175.8 | -70.8 | 172.9 | 69.4 | 0 | 0 | 112.7 | L323 Q325 R334 L337 T338 | L323-M327 WeakPolarHBondContact O-CG 3.19Å; L323-M327 PolarHBondContact O-N 3.03Å; Q325-M327 VanDerWaalsContact C-N 3.33Å; Q325-M327 PolarHBondContact O-N 3.05Å; M327-R334 HydrophobicContact CE-CG 3.84Å; M327-L337 HydrophobicContact CG-CB 3.61Å; M327-L337 HydrophobicContact CG-CD1 3.92Å; M327-L337 HydrophobicContact CG-CG 4.4Å; M327-L337 HydrophobicContact SD-CB 4.38Å; M327-T338 WeakPolarHBondContact CE-OG1 3.05Å |
| 328 | K | 79.8 | Confident | 76.5 | Confident | 184 Ų | 184 | 72.6 Ų | 72.6 | 80% | 0.8 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -68.6 | -37.5 | 175.4 | -68.1 | -175.2 | 179.8 | -176.5 | 0 | 112.1 | A324 Q325 M326 | A324-K328 PolarHBondContact O-N 2.83Å; Q325-K328 PolarHBondContact O-N 3.14Å; M326-K328 VanDerWaalsContact C-N 3.28Å; M326-K328 PolarHBondContact O-N 2.86Å |
| 329 | K | 79.8 | Confident | 77.4 | Confident | 146 Ų | 146 | 72.8 Ų | 72.8 | 64% | 0.635 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -80.6 | -19 | -179.2 | -68.5 | -178.4 | 179.8 | 179.5 | 0 | 113.6 | Q325 M326 | Q325-K329 PolarHBondContact O-N 3.23Å; Q325-K329 VanDerWaalsContact O-N 3.16Å; M326-K329 CarbonylContact O-C 3.45Å; M326-K329 PolarHBondContact O-N 3.09Å; M326-K329 VanDerWaalsContact O-N 3.1Å |
| 330 | M | 75.1 | Confident | 78.2 | Confident | 25 Ų | 25 | 71.3 Ų | 71.3 | 12% | 0.123 | 36% | 0.359 | C | S | . | . | trans | -132.5 | 76.4 | -173.1 | -58.8 | -175.2 | -172.3 | 0 | 0 | 112.1 | M326 S332 F333 R334 | M326-M330 WeakPolarHBondContact O-CB 3.25Å; M326-M330 PolarHBondContact O-N 3.33Å; M330-S332 VanDerWaalsContact C-N 3.26Å; M330-S332 PolarHBondContact O-N 2.93Å; M330-F333 HydrophobicContact CB-CB 4.46Å; M330-F333 HydrophobicContact CB-CD2 4.38Å; M330-F333 PolarHBondContact O-N 2.94Å; M330-F333 VanDerWaalsContact O-N 3.16Å; M330-R334 PolarHBondContact O-N 3.08Å | ||
| 331 | P | 79.1 | Confident | 78.9 | Confident | 104 Ų | 104 | 71 Ų | 71 | 68% | 0.675 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -59.2 | -35.3 | -178.1 | -23.4 | 33.6 | 0 | 0 | 0 | 113.5 | F333 R334 | P331-F333 PolarHBondContact O-N 3.29Å; P331-R334 VanDerWaalsContact O-CB 3.27Å; P331-R334 WeakPolarHBondContact O-CB 3.46Å; P331-R334 PolarHBondContact O-N 2.94Å |
| 332 | S | 80.3 | Confident | 79.9 | Confident | 103 Ų | 103 | 69.4 Ų | 69.4 | 72% | 0.72 | 35% | 0.346 | S | S | * | . | G | 310 helix | trans | -64.6 | -25.3 | -179.6 | 62 | 0 | 0 | 0 | 0 | 113.9 | M330 | M330-S332 VanDerWaalsContact C-N 3.26Å; M330-S332 PolarHBondContact O-N 2.93Å |
| 333 | F | 78 | Confident | 80.9 | Confident | 62 Ų | 62 | 66.3 Ų | 66.3 | 27% | 0.272 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -105.5 | 6.5 | 179.4 | -67.1 | -78.4 | 0 | 0 | 0 | 112.8 | I307 M330 P331 K335 Q336 L337 | I307-F333 HydrophobicContact CG2-CG 4.49Å; M330-F333 HydrophobicContact CB-CB 4.46Å; M330-F333 HydrophobicContact CB-CD2 4.38Å; M330-F333 PolarHBondContact O-N 2.94Å; M330-F333 VanDerWaalsContact O-N 3.16Å; P331-F333 PolarHBondContact O-N 3.29Å; F333-K335 VanDerWaalsContact C-N 3.29Å; F333-K335 PolarHBondContact O-N 3.25Å; F333-Q336 PolarHBondContact O-N 2.67Å; F333-L337 HydrophobicContact CB-CD1 4.22Å; F333-L337 HydrophobicContact CB-CG 4.45Å; F333-L337 WeakPolarHBondContact O-CB 3.28Å; F333-L337 WeakPolarHBondContact O-CG 3.33Å; F333-L337 PolarHBondContact O-N 3.08Å |
| 334 | R | 80.6 | Confident | 81.7 | Confident | 159 Ų | 159 | 67 Ų | 67 | 60% | 0.6 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.3 | -43.1 | -174 | -175.7 | 178.1 | 177.3 | 178.5 | -0.6 | 112.2 | M327 M330 P331 L337 T338 | M327-R334 HydrophobicContact CE-CG 3.84Å; M330-R334 PolarHBondContact O-N 3.08Å; P331-R334 VanDerWaalsContact O-CB 3.27Å; P331-R334 WeakPolarHBondContact O-CB 3.46Å; P331-R334 PolarHBondContact O-N 2.94Å; R334-L337 PolarHBondContact O-N 2.58Å; R334-T338 WeakPolarHBondContact O-CB 3.22Å; R334-T338 PolarHBondContact O-N 3.33Å; R334-T338 PolarHBondContact O-OG1 3.17Å |
| 335 | K | 82.9 | Confident | 82.5 | Confident | 144 Ų | 144 | 66.6 Ų | 66.6 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -59.4 | -56.1 | 177.8 | -175.3 | 178.2 | 172.2 | -177.7 | 0 | 111.3 | F333 L337 T338 E339 | F333-K335 VanDerWaalsContact C-N 3.29Å; F333-K335 PolarHBondContact O-N 3.25Å; K335-L337 VanDerWaalsContact C-N 3.31Å; K335-L337 PolarHBondContact O-N 3.42Å; K335-T338 WeakPolarHBondContact O-CA 3.49Å; K335-T338 WeakPolarHBondContact O-CB 3.24Å; K335-T338 PolarHBondContact O-N 3.13Å; K335-E339 WeakPolarHBondContact CE-OE1 3.45Å; K335-E339 WeakPolarHBondContact CG-OE1 3.03Å; K335-E339 PolarHBondContact O-N 3.37Å |
| 336 | Q | 81.3 | Confident | 83.5 | Confident | 91 Ų | 91 | 61.2 Ų | 61.2 | 43% | 0.425 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 179.4 | -63.9 | -178.3 | 9.6 | 0 | 0 | 113.2 | F333 T338 K340 | F333-Q336 PolarHBondContact O-N 2.67Å; Q336-T338 VanDerWaalsContact C-N 3.33Å; Q336-K340 WeakPolarHBondContact O-CB 3.49Å; Q336-K340 VanDerWaalsContact O-CG 3.32Å; Q336-K340 WeakPolarHBondContact O-CG 3.39Å; Q336-K340 PolarHBondContact O-N 3.11Å |
| 337 | L | 81.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.5 | -32.1 | 176.2 | -75.1 | 168.9 | 0 | 0 | 0 | 112 | I307 L323 M326 M327 F333 R334 K335 T341 | I307-L337 HydrophobicContact CD1-CD2 4.41Å; L323-L337 HydrophobicContact CD2-CD2 3.73Å; M326-L337 HydrophobicContact CB-CD1 4.18Å; M326-L337 HydrophobicContact CE-CD2 4.49Å; M327-L337 HydrophobicContact CG-CB 3.61Å; M327-L337 HydrophobicContact CG-CD1 3.92Å; M327-L337 HydrophobicContact CG-CG 4.4Å; M327-L337 HydrophobicContact SD-CB 4.38Å; F333-L337 HydrophobicContact CB-CD1 4.22Å; F333-L337 HydrophobicContact CB-CG 4.45Å; F333-L337 WeakPolarHBondContact O-CB 3.28Å; F333-L337 WeakPolarHBondContact O-CG 3.33Å; F333-L337 PolarHBondContact O-N 3.08Å; R334-L337 PolarHBondContact O-N 2.58Å; K335-L337 VanDerWaalsContact C-N 3.31Å; K335-L337 PolarHBondContact O-N 3.42Å; L337-T341 WeakPolarHBondContact O-CB 3.47Å; L337-T341 PolarHBondContact O-N 2.97Å; L337-T341 PolarHBondContact O-OG1 3.42Å |
| 338 | T | 84.4 | Confident | 85.3 | Confident | 46 Ų | 46 | 63 Ų | 63 | 28% | 0.282 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.8 | -50.6 | 177 | -55.3 | 0 | 0 | 0 | 0 | 109.9 | M327 R334 K335 Q336 K340 T341 I342 | M327-T338 WeakPolarHBondContact CE-OG1 3.05Å; R334-T338 WeakPolarHBondContact O-CB 3.22Å; R334-T338 PolarHBondContact O-N 3.33Å; R334-T338 PolarHBondContact O-OG1 3.17Å; K335-T338 WeakPolarHBondContact O-CA 3.49Å; K335-T338 WeakPolarHBondContact O-CB 3.24Å; K335-T338 PolarHBondContact O-N 3.13Å; Q336-T338 VanDerWaalsContact C-N 3.33Å; T338-K340 PolarHBondContact O-N 3.45Å; T338-T341 WeakPolarHBondContact O-CB 3.29Å; T338-T341 PolarHBondContact O-N 2.84Å; T338-T341 VanDerWaalsContact O-N 3.11Å; T338-I342 HydrophobicContact CG2-CD1 4.07Å; T338-I342 WeakPolarHBondContact O-CG1 3.19Å; T338-I342 PolarHBondContact O-N 2.9Å |
| 339 | E | 86.1 | Confident | 85.9 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 20% | 0.196 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.9 | -50.2 | 175.7 | -67.4 | 163.6 | 178.2 | 0 | 0 | 111 | K335 T341 I342 H343 | K335-E339 WeakPolarHBondContact CE-OE1 3.45Å; K335-E339 WeakPolarHBondContact CG-OE1 3.03Å; K335-E339 PolarHBondContact O-N 3.37Å; E339-T341 VanDerWaalsContact C-N 3.3Å; E339-T341 PolarHBondContact O-N 3.45Å; E339-I342 PolarHBondContact O-N 3.36Å; E339-H343 PolarHBondContact O-CD2 2.95Å; E339-H343 VanDerWaalsContact O-CD2 3.25Å; E339-H343 PolarHBondContact O-N 2.88Å |
| 340 | K | 88.1 | Confident | 86.7 | Confident | 25 Ų | 25 | 49 Ų | 49 | 11% | 0.109 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.6 | -36.3 | 176.7 | -74.3 | 174.1 | 179.3 | 175 | 0 | 113.4 | L284 M303 V304 I307 Q336 T338 L344 | L284-K340 HydrophobicContact CD2-CB 4.32Å; L284-K340 HydrophobicContact CD2-CG 3.57Å; M303-K340 PolarHBondContact O-NZ 3.22Å; V304-K340 HydrophobicContact CG2-CB 4.08Å; V304-K340 HydrophobicContact CG2-CD 3.97Å; V304-K340 HydrophobicContact CG2-CG 4.48Å; I307-K340 HydrophobicContact CD1-CD 4.07Å; Q336-K340 WeakPolarHBondContact O-CB 3.49Å; Q336-K340 VanDerWaalsContact O-CG 3.32Å; Q336-K340 WeakPolarHBondContact O-CG 3.39Å; Q336-K340 PolarHBondContact O-N 3.11Å; T338-K340 PolarHBondContact O-N 3.45Å; K340-L344 WeakPolarHBondContact O-CB 3.38Å; K340-L344 PolarHBondContact O-N 3.07Å |
| 341 | T | 86.3 | Confident | 87.6 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 13% | 0.129 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -69.4 | -41.4 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 111.2 | I320 L337 T338 E339 L344 Q345 | I320-T341 HydrophobicContact CG2-CG2 4.09Å; L337-T341 WeakPolarHBondContact O-CB 3.47Å; L337-T341 PolarHBondContact O-N 2.97Å; L337-T341 PolarHBondContact O-OG1 3.42Å; T338-T341 WeakPolarHBondContact O-CB 3.29Å; T338-T341 PolarHBondContact O-N 2.84Å; T338-T341 VanDerWaalsContact O-N 3.11Å; E339-T341 VanDerWaalsContact C-N 3.3Å; E339-T341 PolarHBondContact O-N 3.45Å; T341-L344 PolarHBondContact O-N 3.2Å; T341-Q345 PolarHBondContact O-N 3.38Å |
| 342 | I | 91 | Very high | 88.2 | Confident | 19 Ų | 19 | 52 Ų | 52 | 10% | 0.097 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -58.4 | -51.5 | 176 | -69.4 | 161.1 | 0 | 0 | 0 | 109.6 | Y264 Y266 A276 T338 E339 L344 Q345 L346 | Y264-I342 HydrophobicContact CD1-CG2 4.13Å; Y264-I342 HydrophobicContact CE1-CG2 4.43Å; Y266-I342 HydrophobicContact CE1-CG1 4.18Å; A276-I342 HydrophobicContact CB-CB 4.49Å; A276-I342 HydrophobicContact CB-CD1 3.78Å; A276-I342 HydrophobicContact CB-CG1 4.1Å; A276-I342 HydrophobicContact CB-CG2 3.57Å; T338-I342 HydrophobicContact CG2-CD1 4.07Å; T338-I342 WeakPolarHBondContact O-CG1 3.19Å; T338-I342 PolarHBondContact O-N 2.9Å; E339-I342 PolarHBondContact O-N 3.36Å; I342-L344 VanDerWaalsContact C-N 3.35Å; I342-L344 PolarHBondContact O-N 2.57Å; I342-Q345 PolarHBondContact O-N 3.07Å; I342-L346 WeakPolarHBondContact O-CB 3.41Å; I342-L346 PolarHBondContact O-N 2.98Å |
| 343 | H | 93.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.5 | -33.7 | -178.3 | -73.8 | -60.4 | 0 | 0 | 0 | 113.5 | Y249 D282 L284 W285 I300 E339 A347 | Y249-H343 AromaticContact CE1-ND1 3.6Å; Y249-H343 AromaticContact CZ-ND1 3.71Å; Y249-H343 WeakPolarHBondContact OH-CA 3.45Å; Y249-H343 PolarHBondContact OH-ND1 3.37Å; Y249-H343 PolarHBondContact OH-O 3.26Å; Y249-H343 VanDerWaalsContact OH-O 3.14Å; D282-H343 IonicContact OD1-NE2 2.98Å; D282-H343 IonicContact OD2-CD2 3.67Å; D282-H343 IonicContact OD2-NE2 2.76Å; D282-H343 PolarHBondContact OD2-NE2 2.87Å; L284-H343 HydrophobicContact CD2-CB 4.38Å; W285-H343 AromaticContact CE3-CE1 3.5Å; W285-H343 AromaticContact CE3-ND1 3.99Å; I300-H343 HydrophobicContact CD1-CB 3.82Å; E339-H343 PolarHBondContact O-CD2 2.95Å; E339-H343 VanDerWaalsContact O-CD2 3.25Å; E339-H343 PolarHBondContact O-N 2.88Å; H343-A347 VanDerWaalsContact O-CB 3.28Å; H343-A347 WeakPolarHBondContact O-CB 3.43Å; H343-A347 PolarHBondContact O-N 3.49Å |
| 344 | L | 89.9 | Confident | 89.4 | Confident | 16 Ų | 16 | 48.8 Ų | 48.8 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -48.6 | 172.3 | -176.3 | 64.5 | 0 | 0 | 0 | 110.9 | I300 P301 I320 L323 K340 T341 I342 A347 E348 | I300-L344 HydrophobicContact CG2-CB 3.96Å; I300-L344 HydrophobicContact CG2-CD1 4.18Å; P301-L344 HydrophobicContact CG-CD1 4.43Å; I320-L344 HydrophobicContact CG1-CD2 4.08Å; L323-L344 HydrophobicContact CD1-CD2 3.94Å; K340-L344 WeakPolarHBondContact O-CB 3.38Å; K340-L344 PolarHBondContact O-N 3.07Å; T341-L344 PolarHBondContact O-N 3.2Å; I342-L344 VanDerWaalsContact C-N 3.35Å; I342-L344 PolarHBondContact O-N 2.57Å; L344-A347 PolarHBondContact O-N 3.42Å; L344-E348 WeakPolarHBondContact O-CB 3.49Å; L344-E348 WeakPolarHBondContact O-CG 3.47Å; L344-E348 PolarHBondContact O-N 3.34Å |
| 345 | Q | 91.3 | Very high | 89.9 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 19% | 0.187 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.3 | -45.2 | 178.5 | -174.4 | 66.6 | 56 | 0 | 0 | 111.5 | Y264 Y266 T341 I342 A347 E348 D349 | Y264-Q345 WeakPolarHBondContact OH-CG 3.48Å; Y266-Q345 HydrophobicContact CD2-CG 4.35Å; T341-Q345 PolarHBondContact O-N 3.38Å; I342-Q345 PolarHBondContact O-N 3.07Å; Q345-A347 VanDerWaalsContact C-N 3.33Å; Q345-A347 PolarHBondContact O-N 3.44Å; Q345-E348 PolarHBondContact O-N 2.96Å; Q345-D349 PolarHBondContact NE2-OD1 2.94Å; Q345-D349 WeakPolarHBondContact O-CB 3.34Å; Q345-D349 VanDerWaalsContact O-CG 3.29Å; Q345-D349 PolarHBondContact O-N 3.42Å |
| 346 | L | 95.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.8 | 178.9 | 58 | 0 | 0 | 0 | 111.6 | Y249 A253 I257 Y264 L278 W285 I342 D349 C350 | Y249-L346 HydrophobicContact CE2-CD2 4.15Å; Y249-L346 HydrophobicContact CE2-CG 3.98Å; Y249-L346 WeakPolarHBondContact OH-CD2 3.24Å; A253-L346 HydrophobicContact CB-CD1 4.22Å; A253-L346 HydrophobicContact CB-CD2 4.34Å; A253-L346 HydrophobicContact CB-CG 4.46Å; I257-L346 HydrophobicContact CG1-CD1 4.15Å; I257-L346 HydrophobicContact CG2-CD1 4.38Å; Y264-L346 HydrophobicContact CD1-CB 4.24Å; Y264-L346 HydrophobicContact CD1-CD1 4.38Å; Y264-L346 HydrophobicContact CD2-CD1 3.86Å; Y264-L346 HydrophobicContact CE1-CB 3.74Å; Y264-L346 HydrophobicContact CE1-CD1 4.23Å; Y264-L346 HydrophobicContact CE1-CG 4.47Å; Y264-L346 HydrophobicContact CE2-CD1 3.72Å; Y264-L346 HydrophobicContact CG-CD1 4.19Å; L278-L346 HydrophobicContact CD1-CD2 3.99Å; L278-L346 HydrophobicContact CD2-CD2 4.19Å; W285-L346 HydrophobicContact CZ3-CD2 4.27Å; I342-L346 WeakPolarHBondContact O-CB 3.41Å; I342-L346 PolarHBondContact O-N 2.98Å; L346-D349 PolarHBondContact O-N 2.99Å; L346-C350 PolarHBondContact O-N 3.21Å; L346-C350 PolarHBondContact O-SG 3.23Å |
| 347 | A | 94.7 | Very high | 89.7 | Confident | 2 Ų | 2 | 42.3 Ų | 42.3 | 2% | 0.017 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.7 | -40.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y249 I293 V296 I300 H343 L344 Q345 C350 M351 | Y249-A347 HydrophobicContact CE2-CB 4.22Å; I293-A347 HydrophobicContact CD1-CB 4.13Å; V296-A347 HydrophobicContact CG1-CB 4.24Å; I300-A347 HydrophobicContact CD1-CB 4.34Å; H343-A347 VanDerWaalsContact O-CB 3.28Å; H343-A347 WeakPolarHBondContact O-CB 3.43Å; H343-A347 PolarHBondContact O-N 3.49Å; L344-A347 PolarHBondContact O-N 3.42Å; Q345-A347 VanDerWaalsContact C-N 3.33Å; Q345-A347 PolarHBondContact O-N 3.44Å; A347-C350 PolarHBondContact O-N 2.81Å; A347-M351 WeakPolarHBondContact O-CB 3.45Å; A347-M351 WeakPolarHBondContact O-CG 3.47Å; A347-M351 PolarHBondContact O-N 2.56Å |
| 348 | E | 92.1 | Very high | 89.8 | Confident | 93 Ų | 93 | 42.6 Ų | 42.6 | 44% | 0.435 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 173.5 | -76.6 | 179.3 | -178.5 | 0 | 0 | 111.8 | L344 Q345 M351 K352 | L344-E348 WeakPolarHBondContact O-CB 3.49Å; L344-E348 WeakPolarHBondContact O-CG 3.47Å; L344-E348 PolarHBondContact O-N 3.34Å; Q345-E348 PolarHBondContact O-N 2.96Å; E348-M351 PolarHBondContact O-N 2.89Å; E348-K352 VanDerWaalsContact O-CB 3.31Å; E348-K352 WeakPolarHBondContact O-CB 3.31Å; E348-K352 PolarHBondContact O-N 3.12Å |
| 349 | D | 93.5 | Very high | 90.1 | Very high | 36 Ų | 36 | 44.8 Ų | 44.8 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64.2 | -44.5 | 177.3 | -71.5 | -7.9 | 0 | 0 | 0 | 111.2 | I257 Y264 Q345 L346 M351 K352 H353 | I257-D349 HydrophobicContact CD1-CB 3.86Å; Y264-D349 PolarHBondContact OH-OD2 3.32Å; Q345-D349 PolarHBondContact NE2-OD1 2.94Å; Q345-D349 WeakPolarHBondContact O-CB 3.34Å; Q345-D349 VanDerWaalsContact O-CG 3.29Å; Q345-D349 PolarHBondContact O-N 3.42Å; L346-D349 PolarHBondContact O-N 2.99Å; D349-M351 PolarHBondContact O-N 2.72Å; D349-K352 PolarHBondContact O-N 3.34Å; D349-H353 PolarHBondContact O-CD2 2.94Å; D349-H353 PolarHBondContact O-N 3.3Å |
| 350 | C | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58 | -50.2 | 175 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | M252 I293 L346 A347 K352 H353 F354 | M252-C350 HydrophobicContact CE-CB 4.02Å; M252-C350 WeakPolarHBondContact CE-O 3.18Å; M252-C350 HydrophobicContact CG-CB 4.35Å; M252-C350 HydrophobicContact SD-CB 4Å; I293-C350 HydrophobicContact CD1-CB 4.29Å; L346-C350 PolarHBondContact O-N 3.21Å; L346-C350 PolarHBondContact O-SG 3.23Å; A347-C350 PolarHBondContact O-N 2.81Å; C350-K352 VanDerWaalsContact C-N 3.31Å; C350-K352 PolarHBondContact O-N 2.85Å; C350-H353 PolarHBondContact O-N 2.9Å; C350-F354 WeakPolarHBondContact O-CB 3.45Å; C350-F354 PolarHBondContact O-N 3.4Å |
| 351 | M | 94 | Very high | 90.3 | Very high | 60 Ų | 60 | 48 Ų | 48 | 30% | 0.296 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.6 | -37 | 179.7 | -74.3 | -58.7 | -60.7 | 0 | 0 | 112.3 | I293 A347 E348 D349 F354 S355 | I293-M351 HydrophobicContact CB-SD 4.46Å; I293-M351 HydrophobicContact CG1-CG 3.97Å; I293-M351 HydrophobicContact CG1-SD 3.6Å; I293-M351 VanDerWaalsContact CG1-SD 3.6Å; I293-M351 HydrophobicContact CG2-SD 3.99Å; A347-M351 WeakPolarHBondContact O-CB 3.45Å; A347-M351 WeakPolarHBondContact O-CG 3.47Å; A347-M351 PolarHBondContact O-N 2.56Å; E348-M351 PolarHBondContact O-N 2.89Å; D349-M351 PolarHBondContact O-N 2.72Å; M351-F354 HydrophobicContact CE-CD1 4.28Å; M351-F354 PolarHBondContact O-N 3.33Å; M351-S355 PolarHBondContact O-N 3.27Å; M351-S355 PolarHBondContact O-OG 2.92Å |
| 352 | K | 93.3 | Very high | 90.7 | Very high | 132 Ų | 132 | 47 Ų | 47 | 57% | 0.574 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -63.3 | -44.8 | 175.3 | -176.4 | -177.9 | 177.4 | -172.7 | 0 | 111.5 | E348 D349 C350 N356 | E348-K352 VanDerWaalsContact O-CB 3.31Å; E348-K352 WeakPolarHBondContact O-CB 3.31Å; E348-K352 PolarHBondContact O-N 3.12Å; D349-K352 PolarHBondContact O-N 3.34Å; C350-K352 VanDerWaalsContact C-N 3.31Å; C350-K352 PolarHBondContact O-N 2.85Å; K352-N356 WeakPolarHBondContact O-CB 3.48Å; K352-N356 PolarHBondContact O-N 3.36Å; K352-N356 PolarHBondContact O-ND2 2.85Å |
| 353 | H | 91.3 | Very high | 90.7 | Very high | 82 Ų | 82 | 52.2 Ų | 52.2 | 38% | 0.38 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 176 | -85.6 | -105.9 | 0 | 0 | 0 | 111.6 | L256 D349 C350 N357 | L256-H353 HydrophobicContact CB-CB 4.15Å; L256-H353 HydrophobicContact CD1-CB 4.22Å; D349-H353 PolarHBondContact O-CD2 2.94Å; D349-H353 PolarHBondContact O-N 3.3Å; C350-H353 PolarHBondContact O-N 2.9Å; H353-N357 PolarHBondContact O-N 2.93Å |
| 354 | F | 92.3 | Very high | 90.7 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 7% | 0.07 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -60.7 | -55.6 | 178.7 | 172.8 | -101 | 0 | 0 | 0 | 113.5 | L247 M252 L256 C350 M351 N356 N357 V358 E359 L468 | L247-F354 HydrophobicContact CD1-CE2 4.06Å; L247-F354 HydrophobicContact CD1-CZ 4.38Å; L247-F354 HydrophobicContact CD2-CD2 3.72Å; L247-F354 HydrophobicContact CD2-CE2 3.64Å; M252-F354 HydrophobicContact CE-CB 3.41Å; M252-F354 VanDerWaalsContact CE-CB 3.41Å; M252-F354 HydrophobicContact CE-CD2 4.16Å; M252-F354 HydrophobicContact CE-CG 3.91Å; L256-F354 HydrophobicContact CD1-CB 4.42Å; C350-F354 WeakPolarHBondContact O-CB 3.45Å; C350-F354 PolarHBondContact O-N 3.4Å; M351-F354 HydrophobicContact CE-CD1 4.28Å; M351-F354 PolarHBondContact O-N 3.33Å; F354-N356 VanDerWaalsContact C-N 3.3Å; F354-N356 PolarHBondContact O-N 2.98Å; F354-N357 PolarHBondContact O-N 3.43Å; F354-V358 HydrophobicContact CD2-CB 4.36Å; F354-V358 PolarHBondContact O-N 2.94Å; F354-E359 HydrophobicContact CD1-CB 4.25Å; F354-E359 HydrophobicContact CD2-CB 4.47Å; F354-E359 HydrophobicContact CE1-CB 3.76Å; F354-E359 HydrophobicContact CE1-CG 3.78Å; F354-E359 HydrophobicContact CE2-CB 4.01Å; F354-E359 HydrophobicContact CE2-CG 4.42Å; F354-E359 HydrophobicContact CZ-CB 3.63Å; F354-E359 HydrophobicContact CZ-CG 3.62Å; F354-E359 PolarHBondContact O-N 3.14Å; F354-L468 HydrophobicContact CE2-CD1 4.38Å; F354-L468 HydrophobicContact CZ-CD1 3.76Å |
| 355 | S | 90.1 | Very high | 91 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 46% | 0.455 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -67 | -29.6 | -176.8 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | M351 | M351-S355 PolarHBondContact O-N 3.27Å; M351-S355 PolarHBondContact O-OG 2.92Å |
| 356 | N | 84.3 | Confident | 91.2 | Very high | 111 Ų | 111 | 49.9 Ų | 49.9 | 59% | 0.594 | 24% | 0.243 | S | C | * | . | I | π-helix | trans | -77 | -38.5 | -179.8 | -71.1 | -21.8 | 0 | 0 | 0 | 112.5 | K352 F354 | K352-N356 WeakPolarHBondContact O-CB 3.48Å; K352-N356 PolarHBondContact O-N 3.36Å; K352-N356 PolarHBondContact O-ND2 2.85Å; F354-N356 VanDerWaalsContact C-N 3.3Å; F354-N356 PolarHBondContact O-N 2.98Å |
| 357 | N | 76.1 | Confident | 91.1 | Very high | 83 Ų | 83 | 50.5 Ų | 50.5 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | I | π-helix | trans | -127.2 | -34.2 | -164.1 | -64.8 | -12.8 | 0 | 0 | 0 | 114.4 | H353 F354 F394 | H353-N357 PolarHBondContact O-N 2.93Å; F354-N357 PolarHBondContact O-N 3.43Å; N357-F394 VanDerWaalsContact O-CD1 3.27Å; N357-F394 WeakPolarHBondContact O-CD1 3.49Å; N357-F394 WeakPolarHBondContact O-CE1 3.15Å |
| 358 | V | 84.1 | Confident | 91.1 | Very high | 6 Ų | 6 | 50.5 Ų | 50.5 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | I | π-helix | trans | -112.7 | -26.6 | -158 | -170.8 | 0 | 0 | 0 | 0 | 113.2 | H245 L256 F354 K360 L361 C362 | H245-V358 HydrophobicContact CB-CG1 3.92Å; H245-V358 WeakPolarHBondContact CD2-CG1 3.26Å; H245-V358 VanDerWaalsContact CG-CG1 3.41Å; L256-V358 HydrophobicContact CD2-CG2 3.99Å; F354-V358 HydrophobicContact CD2-CB 4.36Å; F354-V358 PolarHBondContact O-N 2.94Å; V358-K360 VanDerWaalsContact C-N 3.33Å; V358-K360 PolarHBondContact O-N 2.88Å; V358-L361 WeakPolarHBondContact O-CA 3.22Å; V358-L361 WeakPolarHBondContact O-CB 3.48Å; V358-L361 PolarHBondContact O-N 3.44Å; V358-C362 PolarHBondContact O-N 3.34Å |
| 359 | E | 90.1 | Very high | 91.2 | Very high | 92 Ų | 92 | 46.6 Ų | 46.6 | 43% | 0.43 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -51.9 | -46.3 | -173.7 | -179.9 | 175.3 | -176.9 | 0 | 0 | 113.8 | F354 L361 C362 | F354-E359 HydrophobicContact CD1-CB 4.25Å; F354-E359 HydrophobicContact CD2-CB 4.47Å; F354-E359 HydrophobicContact CE1-CB 3.76Å; F354-E359 HydrophobicContact CE1-CG 3.78Å; F354-E359 HydrophobicContact CE2-CB 4.01Å; F354-E359 HydrophobicContact CE2-CG 4.42Å; F354-E359 HydrophobicContact CZ-CB 3.63Å; F354-E359 HydrophobicContact CZ-CG 3.62Å; F354-E359 PolarHBondContact O-N 3.14Å; E359-L361 VanDerWaalsContact C-N 3.3Å; E359-L361 PolarHBondContact O-N 2.97Å; E359-C362 PolarHBondContact O-N 3.01Å |
| 360 | K | 87.1 | Confident | 91.2 | Very high | 133 Ų | 133 | 47.7 Ų | 47.7 | 58% | 0.578 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.4 | -35.8 | 178.3 | -67.7 | 179.8 | -177.7 | 173 | 0 | 112.4 | V358 | V358-K360 VanDerWaalsContact C-N 3.33Å; V358-K360 PolarHBondContact O-N 2.88Å |
| 361 | L | 91.6 | Very high | 91 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -70.9 | -45.5 | -179.5 | -177.8 | 59.3 | 0 | 0 | 0 | 110.5 | V358 E359 K363 A364 E365 V389 L390 F394 D398 A402 | V358-L361 WeakPolarHBondContact O-CA 3.22Å; V358-L361 WeakPolarHBondContact O-CB 3.48Å; V358-L361 PolarHBondContact O-N 3.44Å; E359-L361 VanDerWaalsContact C-N 3.3Å; E359-L361 PolarHBondContact O-N 2.97Å; L361-K363 PolarHBondContact O-N 3.37Å; L361-K363 VanDerWaalsContact O-N 3.11Å; L361-A364 PolarHBondContact O-N 2.72Å; L361-E365 HydrophobicContact CD1-CG 4.19Å; L361-E365 HydrophobicContact CG-CG 3.98Å; L361-E365 WeakPolarHBondContact CG-OE1 3.5Å; L361-E365 WeakPolarHBondContact O-CG 3.38Å; L361-E365 PolarHBondContact O-N 3.16Å; L361-V389 HydrophobicContact CD1-CG1 4.22Å; L361-L390 HydrophobicContact CD1-CD2 4.39Å; L361-F394 HydrophobicContact CB-CE1 4.46Å; L361-F394 HydrophobicContact CB-CE2 4.42Å; L361-F394 HydrophobicContact CB-CZ 4.11Å; L361-F394 HydrophobicContact CD1-CE2 4.43Å; L361-D398 HydrophobicContact CD2-CB 3.73Å; L361-A402 HydrophobicContact CD1-CB 3.96Å |
| 362 | C | 93.8 | Very high | 90.8 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -50.5 | -40.2 | 177.9 | -74.2 | 0 | 0 | 0 | 0 | 112.9 | H245 V358 E359 A364 E365 Q366 L468 | H245-C362 VanDerWaalsContact CB-SG 3.58Å; V358-C362 PolarHBondContact O-N 3.34Å; E359-C362 PolarHBondContact O-N 3.01Å; C362-A364 PolarHBondContact O-N 3.32Å; C362-E365 PolarHBondContact O-N 2.8Å; C362-Q366 WeakPolarHBondContact O-CB 3.37Å; C362-Q366 WeakPolarHBondContact O-CG 3.38Å; C362-Q366 PolarHBondContact O-N 2.87Å; C362-L468 HydrophobicContact CB-CD1 4.45Å; C362-L468 HydrophobicContact CB-CD2 4.33Å |
| 363 | K | 92 | Very high | 90.8 | Very high | 128 Ų | 128 | 42.7 Ų | 42.7 | 56% | 0.557 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -58.8 | -51.8 | 178.5 | -175.4 | 177.2 | 178.1 | 178.2 | 0 | 111.4 | L361 E365 Q366 D367 L468 | L361-K363 PolarHBondContact O-N 3.37Å; L361-K363 VanDerWaalsContact O-N 3.11Å; K363-E365 VanDerWaalsContact C-N 3.35Å; K363-Q366 PolarHBondContact O-N 3.42Å; K363-D367 PolarHBondContact O-N 2.57Å; K363-L468 HydrophobicContact CB-CD2 3.87Å; K363-L468 HydrophobicContact CG-CD2 4.46Å |
| 364 | A | 93.2 | Very high | 90.7 | Very high | 4 Ų | 4 | 40.9 Ų | 40.9 | 3% | 0.033 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.8 | -38.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L361 C362 Q366 D367 L368 L386 V389 | L361-A364 PolarHBondContact O-N 2.72Å; C362-A364 PolarHBondContact O-N 3.32Å; A364-Q366 PolarHBondContact O-N 2.79Å; A364-D367 PolarHBondContact O-N 3.34Å; A364-L368 WeakPolarHBondContact O-CB 3.48Å; A364-L368 VanDerWaalsContact O-CG 3.23Å; A364-L368 WeakPolarHBondContact O-CG 3.47Å; A364-L368 PolarHBondContact O-N 2.88Å; A364-L386 HydrophobicContact CB-CD1 4.2Å; A364-V389 HydrophobicContact CB-CG2 4.14Å |
| 365 | E | 95.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 175.8 | -69.7 | -171.6 | 171.1 | 0 | 0 | 112.2 | L244 H245 L361 C362 K363 L368 A369 L405 | L244-E365 HydrophobicContact CD2-CB 3.8Å; H245-E365 WeakPolarHBondContact CB-OE2 3.34Å; H245-E365 IonicContact CE1-OE1 3.65Å; H245-E365 PolarHBondContact CE1-OE1 3.2Å; H245-E365 IonicContact CG-OE1 2.86Å; H245-E365 IonicContact CG-OE2 3.97Å; H245-E365 PolarHBondContact N-OE2 2.93Å; H245-E365 VanDerWaalsContact ND1-CD 3.29Å; H245-E365 IonicContact ND1-OE1 2.79Å; H245-E365 PolarHBondContact ND1-OE1 3Å; H245-E365 IonicContact ND1-OE2 2.79Å; H245-E365 PolarHBondContact ND1-OE2 3.31Å; H245-E365 VanDerWaalsContact ND1-OE2 3.1Å; L361-E365 HydrophobicContact CD1-CG 4.19Å; L361-E365 HydrophobicContact CG-CG 3.98Å; L361-E365 WeakPolarHBondContact CG-OE1 3.5Å; L361-E365 WeakPolarHBondContact O-CG 3.38Å; L361-E365 PolarHBondContact O-N 3.16Å; C362-E365 PolarHBondContact O-N 2.8Å; K363-E365 VanDerWaalsContact C-N 3.35Å; E365-L368 PolarHBondContact O-N 3.19Å; E365-A369 VanDerWaalsContact O-CB 3.24Å; E365-A369 WeakPolarHBondContact O-CB 3.31Å; E365-A369 PolarHBondContact O-N 2.67Å; E365-L405 HydrophobicContact CB-CD1 3.7Å; E365-L405 HydrophobicContact CG-CD1 3.52Å |
| 366 | Q | 95.1 | Very high | 90.4 | Very high | 3 Ų | 3 | 46.7 Ų | 46.7 | 1% | 0.014 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.2 | -42.1 | 179.3 | -66.4 | -68.1 | -45.4 | 0 | 0 | 111.6 | C362 K363 A364 L368 A369 V370 L468 | C362-Q366 WeakPolarHBondContact O-CB 3.37Å; C362-Q366 WeakPolarHBondContact O-CG 3.38Å; C362-Q366 PolarHBondContact O-N 2.87Å; K363-Q366 PolarHBondContact O-N 3.42Å; A364-Q366 PolarHBondContact O-N 2.79Å; Q366-L368 VanDerWaalsContact C-N 3.28Å; Q366-L368 PolarHBondContact O-N 3.3Å; Q366-A369 PolarHBondContact O-N 2.95Å; Q366-V370 WeakPolarHBondContact O-CB 3.23Å; Q366-V370 WeakPolarHBondContact O-CG2 3.31Å; Q366-V370 PolarHBondContact O-N 2.72Å; Q366-L468 WeakPolarHBondContact CG-O 3.35Å |
| 367 | D | 94.1 | Very high | 90.8 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 8% | 0.075 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.7 | -67.3 | -13.6 | 0 | 0 | 0 | 111.3 | K363 A364 G371 A372 D373 V379 T385 R470 | K363-D367 PolarHBondContact O-N 2.57Å; A364-D367 PolarHBondContact O-N 3.34Å; D367-G371 CarbonylContact O-C 3.51Å; D367-G371 WeakPolarHBondContact O-CA 3.44Å; D367-G371 PolarHBondContact O-N 2.82Å; D367-A372 PolarHBondContact O-N 3.33Å; D367-D373 WeakPolarHBondContact OD1-CA 3.46Å; D367-V379 HydrophobicContact CB-CG2 4.08Å; D367-V379 WeakPolarHBondContact O-CG2 3.42Å; D367-T385 HydrophobicContact CB-CG2 4.35Å; D367-R470 IonicContact OD1-CZ 3.76Å; D367-R470 IonicContact OD1-NH2 2.71Å; D367-R470 PolarHBondContact OD1-NH2 3.16Å |
| 368 | L | 94.4 | Very high | 91.5 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -74.3 | -41.1 | 178.6 | -67.8 | 179.8 | 0 | 0 | 0 | 113.5 | A364 E365 Q366 P382 L386 L405 S409 | A364-L368 WeakPolarHBondContact O-CB 3.48Å; A364-L368 VanDerWaalsContact O-CG 3.23Å; A364-L368 WeakPolarHBondContact O-CG 3.47Å; A364-L368 PolarHBondContact O-N 2.88Å; E365-L368 PolarHBondContact O-N 3.19Å; Q366-L368 VanDerWaalsContact C-N 3.28Å; Q366-L368 PolarHBondContact O-N 3.3Å; L368-P382 HydrophobicContact CD2-CB 3.57Å; L368-P382 HydrophobicContact CD2-CG 4.33Å; L368-L386 HydrophobicContact CD1-CB 4.21Å; L368-L386 HydrophobicContact CD1-CD1 4.08Å; L368-L386 HydrophobicContact CD1-CD2 3.98Å; L368-L386 HydrophobicContact CD1-CG 4.3Å; L368-L405 HydrophobicContact CB-CB 4.47Å; L368-L405 HydrophobicContact CD1-CB 4.36Å; L368-S409 WeakPolarHBondContact O-CB 3.22Å |
| 369 | A | 94.4 | Very high | 91.9 | Very high | 11 Ų | 11 | 50.8 Ų | 50.8 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V240 L244 E365 Q366 W471 | V240-A369 HydrophobicContact CG1-CB 3.8Å; L244-A369 HydrophobicContact CD1-CB 4Å; L244-A369 HydrophobicContact CD2-CB 4.03Å; E365-A369 VanDerWaalsContact O-CB 3.24Å; E365-A369 WeakPolarHBondContact O-CB 3.31Å; E365-A369 PolarHBondContact O-N 2.67Å; Q366-A369 PolarHBondContact O-N 2.95Å; A369-W471 HydrophobicContact CB-CB 4.41Å; A369-W471 HydrophobicContact CB-CD2 4.21Å; A369-W471 HydrophobicContact CB-CE3 3.85Å; A369-W471 HydrophobicContact CB-CG 4.47Å; A369-W471 HydrophobicContact CB-CZ3 4.47Å; A369-W471 WeakPolarHBondContact O-CZ3 3.3Å |
| 370 | V | 92.4 | Very high | 91.8 | Very high | 59 Ų | 59 | 55.9 Ų | 55.9 | 36% | 0.358 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -76.4 | -33.4 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 111.1 | Q366 A372 R470 | Q366-V370 WeakPolarHBondContact O-CB 3.23Å; Q366-V370 WeakPolarHBondContact O-CG2 3.31Å; Q366-V370 PolarHBondContact O-N 2.72Å; V370-A372 HydrophobicContact CG1-CB 4.49Å; V370-R470 HydrophobicContact CG2-CB 3.93Å |
| 371 | G | 91.5 | Very high | 91.9 | Very high | 24 Ų | 24 | 53.3 Ų | 53.3 | 25% | 0.247 | 30% | 0.296 | C | S | . | . | S | Bend | trans | 84 | 9.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114 | D367 V379 | D367-G371 CarbonylContact O-C 3.51Å; D367-G371 WeakPolarHBondContact O-CA 3.44Å; D367-G371 PolarHBondContact O-N 2.82Å; G371-V379 PolarHBondContact O-N 2.78Å |
| 372 | A | 91.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 13% | 0.132 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -144.7 | 152.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D367 V370 T377 R470 | D367-A372 PolarHBondContact O-N 3.33Å; V370-A372 HydrophobicContact CG1-CB 4.49Å; A372-T377 CarbonylContact C-O 3.51Å; A372-T377 WeakPolarHBondContact CA-O 3.38Å; A372-R470 PolarHBondContact O-NH1 3.1Å |
| 373 | D | 91.4 | Very high | 91.3 | Very high | 47 Ų | 47 | 57 Ų | 57 | 25% | 0.251 | 32% | 0.316 | S | S | . | . | trans | -73.5 | 176.1 | 172.3 | 67.6 | 18.7 | 0 | 0 | 0 | 112.4 | D367 D375 G376 T377 R470 | D367-D373 WeakPolarHBondContact OD1-CA 3.46Å; D373-D375 PolarHBondContact O-N 3.01Å; D373-D375 VanDerWaalsContact O-N 3.14Å; D373-D375 PolarHBondContact OD1-N 3.08Å; D373-G376 PolarHBondContact O-N 2.92Å; D373-G376 PolarHBondContact OD1-N 3.08Å; D373-T377 PolarHBondContact N-O 2.97Å; D373-T377 WeakPolarHBondContact OD1-CA 3.49Å; D373-T377 WeakPolarHBondContact OD1-CB 3.3Å; D373-T377 PolarHBondContact OD1-N 3.44Å; D373-T377 WeakPolarHBondContact OD2-CB 3.32Å; D373-R470 PolarHBondContact O-NH1 3.32Å | ||
| 374 | A | 90.1 | Very high | 91.1 | Very high | 43 Ų | 43 | 60.5 Ų | 60.5 | 36% | 0.355 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -18.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G376 N467 | A374-G376 VanDerWaalsContact C-N 3.31Å; A374-N467 HydrophobicContact CB-CB 4.2Å |
| 375 | D | 89.1 | Confident | 90.8 | Very high | 148 Ų | 148 | 62.4 Ų | 62.4 | 79% | 0.791 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 2.3 | 176 | -58.4 | -50.4 | 0 | 0 | 0 | 111.9 | D373 T377 | D373-D375 PolarHBondContact O-N 3.01Å; D373-D375 VanDerWaalsContact O-N 3.14Å; D373-D375 PolarHBondContact OD1-N 3.08Å; D375-T377 VanDerWaalsContact C-N 3.32Å |
| 376 | G | 87.5 | Confident | 90.5 | Very high | 56 Ų | 56 | 62.4 Ų | 62.4 | 58% | 0.577 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 80.9 | 8.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114 | D373 A374 K378 | D373-G376 PolarHBondContact O-N 2.92Å; D373-G376 PolarHBondContact OD1-N 3.08Å; A374-G376 VanDerWaalsContact C-N 3.31Å; G376-K378 PolarHBondContact O-N 3Å |
| 377 | T | 91.6 | Very high | 90 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 49% | 0.491 | 35% | 0.349 | S | S | . | . | trans | -77.1 | 124.4 | 177.9 | -53.7 | 0 | 0 | 0 | 0 | 109.8 | A372 D373 D375 V379 | A372-T377 CarbonylContact C-O 3.51Å; A372-T377 WeakPolarHBondContact CA-O 3.38Å; D373-T377 PolarHBondContact N-O 2.97Å; D373-T377 WeakPolarHBondContact OD1-CA 3.49Å; D373-T377 WeakPolarHBondContact OD1-CB 3.3Å; D373-T377 PolarHBondContact OD1-N 3.44Å; D373-T377 WeakPolarHBondContact OD2-CB 3.32Å; D375-T377 VanDerWaalsContact C-N 3.32Å; T377-V379 PolarHBondContact O-N 2.89Å | ||
| 378 | K | 92 | Very high | 89.7 | Confident | 171 Ų | 171 | 67.6 Ų | 67.6 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | B | Isolated β-bridge | trans | -57.9 | 134.3 | 179.6 | -69.5 | -171.8 | 177.4 | -176.6 | 0 | 112 | G376 K380 | G376-K378 PolarHBondContact O-N 3Å; K378-K380 PolarHBondContact O-N 2.95Å; K378-K380 VanDerWaalsContact O-N 3.12Å |
| 379 | V | 91.6 | Very high | 89.3 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 21% | 0.206 | 38% | 0.376 | C | S | . | . | trans | -70.6 | 107.2 | 173.2 | 179.4 | 0 | 0 | 0 | 0 | 108.9 | D367 G371 T377 P382 | D367-V379 HydrophobicContact CB-CG2 4.08Å; D367-V379 WeakPolarHBondContact O-CG2 3.42Å; G371-V379 PolarHBondContact O-N 2.78Å; T377-V379 PolarHBondContact O-N 2.89Å; V379-P382 HydrophobicContact CG1-CG 4.19Å | ||
| 380 | K | 88.3 | Confident | 88.9 | Confident | 200 Ų | 200 | 68.7 Ų | 68.7 | 87% | 0.87 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -78 | -37.6 | -179.3 | -65.3 | -176.5 | -178.1 | 177.8 | 0 | 113 | K378 | K378-K380 PolarHBondContact O-N 2.95Å; K378-K380 VanDerWaalsContact O-N 3.12Å |
| 381 | D | 88.3 | Confident | 88.4 | Confident | 78 Ų | 78 | 72.6 Ų | 72.6 | 42% | 0.417 | 39% | 0.392 | S | S | . | . | trans | -132.5 | 94.7 | -178.3 | -175.2 | -12.6 | 0 | 0 | 0 | 109.7 | M383 R384 T385 | D381-M383 PolarHBondContact O-N 3.17Å; D381-M383 WeakPolarHBondContact OD1-CB 3.3Å; D381-M383 PolarHBondContact OD1-N 2.92Å; D381-R384 HydrophobicContact CB-CB 3.97Å; D381-R384 PolarHBondContact O-N 3.34Å; D381-R384 PolarHBondContact OD1-N 3.48Å; D381-R384 VanDerWaalsContact OD1-N 3.09Å; D381-R384 WeakPolarHBondContact OD2-CB 3.4Å; D381-T385 PolarHBondContact O-N 2.86Å; D381-T385 PolarHBondContact O-OG1 3.03Å | ||
| 382 | P | 87.9 | Confident | 88 | Confident | 18 Ų | 18 | 73.8 Ų | 73.8 | 12% | 0.117 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -55.1 | -35.4 | 175.2 | -33.3 | 41.8 | 0 | 0 | 0 | 113.7 | L368 V379 T385 L386 Y406 L410 | L368-P382 HydrophobicContact CD2-CB 3.57Å; L368-P382 HydrophobicContact CD2-CG 4.33Å; V379-P382 HydrophobicContact CG1-CG 4.19Å; P382-T385 WeakPolarHBondContact O-CB 3.35Å; P382-T385 PolarHBondContact O-N 2.86Å; P382-L386 WeakPolarHBondContact O-CB 3.28Å; P382-L386 PolarHBondContact O-N 3.34Å; P382-Y406 HydrophobicContact CB-CD2 3.65Å; P382-Y406 HydrophobicContact CB-CE2 3.92Å; P382-L410 HydrophobicContact CG-CD2 3.97Å |
| 383 | M | 85.9 | Confident | 87.7 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 30% | 0.3 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -70 | -43 | -176.8 | -166.2 | -177.8 | -169.3 | 0 | 0 | 111 | D381 T385 L386 L387 Y406 F421 | D381-M383 PolarHBondContact O-N 3.17Å; D381-M383 WeakPolarHBondContact OD1-CB 3.3Å; D381-M383 PolarHBondContact OD1-N 2.92Å; M383-T385 PolarHBondContact O-N 3.26Å; M383-L386 PolarHBondContact O-N 3.23Å; M383-L387 VanDerWaalsContact O-CB 3.3Å; M383-L387 WeakPolarHBondContact O-CB 3.26Å; M383-L387 PolarHBondContact O-N 3.36Å; M383-Y406 HydrophobicContact CB-CE2 4.12Å; M383-F421 HydrophobicContact CE-CD2 3.88Å; M383-F421 HydrophobicContact CE-CE2 4.41Å; M383-F421 HydrophobicContact CG-CE2 4.34Å |
| 384 | R | 87.2 | Confident | 87.6 | Confident | 202 Ų | 202 | 78 Ų | 78 | 76% | 0.762 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -64.2 | -28.8 | 175.2 | -175.2 | 174.2 | 176.9 | 162.3 | -0.1 | 112.8 | D381 P388 | D381-R384 HydrophobicContact CB-CB 3.97Å; D381-R384 PolarHBondContact O-N 3.34Å; D381-R384 PolarHBondContact OD1-N 3.48Å; D381-R384 VanDerWaalsContact OD1-N 3.09Å; D381-R384 WeakPolarHBondContact OD2-CB 3.4Å; R384-P388 VanDerWaalsContact O-CD 3.22Å; R384-P388 WeakPolarHBondContact O-CD 3.3Å; R384-P388 WeakPolarHBondContact O-CG 3.27Å |
| 385 | T | 87.4 | Confident | 87.6 | Confident | 43 Ų | 43 | 78.4 Ų | 78.4 | 26% | 0.264 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.6 | -43.2 | 176 | -53.3 | 0 | 0 | 0 | 0 | 111 | D367 D381 P382 M383 | D367-T385 HydrophobicContact CB-CG2 4.35Å; D381-T385 PolarHBondContact O-N 2.86Å; D381-T385 PolarHBondContact O-OG1 3.03Å; P382-T385 WeakPolarHBondContact O-CB 3.35Å; P382-T385 PolarHBondContact O-N 2.86Å; M383-T385 PolarHBondContact O-N 3.26Å |
| 386 | L | 88.3 | Confident | 87.8 | Confident | 0 Ų | 0 | 76.8 Ų | 76.8 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -89.3 | -41.4 | -169.6 | -172.3 | 62.4 | 0 | 0 | 0 | 114.6 | A364 L368 P382 M383 V389 L390 A402 F421 | A364-L386 HydrophobicContact CB-CD1 4.2Å; L368-L386 HydrophobicContact CD1-CB 4.21Å; L368-L386 HydrophobicContact CD1-CD1 4.08Å; L368-L386 HydrophobicContact CD1-CD2 3.98Å; L368-L386 HydrophobicContact CD1-CG 4.3Å; P382-L386 WeakPolarHBondContact O-CB 3.28Å; P382-L386 PolarHBondContact O-N 3.34Å; M383-L386 PolarHBondContact O-N 3.23Å; L386-V389 WeakPolarHBondContact O-CB 3.37Å; L386-V389 PolarHBondContact O-N 2.59Å; L386-V389 VanDerWaalsContact O-N 3.07Å; L386-L390 HydrophobicContact CD1-CD1 4.27Å; L386-L390 HydrophobicContact CD1-CD2 4.45Å; L386-L390 HydrophobicContact CD1-CG 4.13Å; L386-L390 HydrophobicContact CD2-CD1 4.02Å; L386-L390 HydrophobicContact CG-CD1 3.76Å; L386-L390 HydrophobicContact CG-CG 4.04Å; L386-L390 PolarHBondContact O-N 2.95Å; L386-L390 VanDerWaalsContact O-N 3.15Å; L386-A402 HydrophobicContact CD1-CB 3.73Å; L386-A402 HydrophobicContact CD2-CB 4.15Å; L386-A402 WeakPolarHBondContact CD2-O 3.46Å; L386-A402 HydrophobicContact CG-CB 4.43Å; L386-F421 HydrophobicContact CD2-CE1 4.02Å; L386-F421 HydrophobicContact CD2-CZ 3.66Å; L386-F421 HydrophobicContact CG-CZ 4.22Å |
| 387 | L | 85.3 | Confident | 88.1 | Confident | 51 Ų | 51 | 76.2 Ų | 76.2 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -57.5 | -43 | -171.9 | -172.5 | 66.1 | 0 | 0 | 0 | 113.8 | M383 V389 L390 F421 H424 | M383-L387 VanDerWaalsContact O-CB 3.3Å; M383-L387 WeakPolarHBondContact O-CB 3.26Å; M383-L387 PolarHBondContact O-N 3.36Å; L387-V389 VanDerWaalsContact C-N 3.27Å; L387-V389 PolarHBondContact O-N 3.15Å; L387-L390 PolarHBondContact O-N 3.39Å; L387-F421 HydrophobicContact CD1-CE2 4.1Å; L387-H424 HydrophobicContact CD1-CB 4.21Å |
| 388 | P | 87.2 | Confident | 88.2 | Confident | 76 Ų | 76 | 73.4 Ų | 73.4 | 49% | 0.494 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -64.3 | -32.7 | 178.1 | -21.2 | 34.2 | 0 | 0 | 0 | 113 | R384 | R384-P388 VanDerWaalsContact O-CD 3.22Å; R384-P388 WeakPolarHBondContact O-CD 3.3Å; R384-P388 WeakPolarHBondContact O-CG 3.27Å |
| 389 | V | 86.1 | Confident | 88.2 | Confident | 27 Ų | 27 | 67 Ų | 67 | 16% | 0.164 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.4 | -43.8 | 179.9 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | L361 A364 L386 L387 L391 N392 F394 | L361-V389 HydrophobicContact CD1-CG1 4.22Å; A364-V389 HydrophobicContact CB-CG2 4.14Å; L386-V389 WeakPolarHBondContact O-CB 3.37Å; L386-V389 PolarHBondContact O-N 2.59Å; L386-V389 VanDerWaalsContact O-N 3.07Å; L387-V389 VanDerWaalsContact C-N 3.27Å; L387-V389 PolarHBondContact O-N 3.15Å; V389-L391 PolarHBondContact O-N 3.47Å; V389-L391 VanDerWaalsContact O-N 3.13Å; V389-N392 WeakPolarHBondContact O-CB 3.36Å; V389-N392 PolarHBondContact O-N 3.36Å; V389-N392 VanDerWaalsContact O-N 3.08Å; V389-N392 PolarHBondContact O-ND2 2.95Å; V389-F394 HydrophobicContact CG1-CE2 3.83Å; V389-F394 HydrophobicContact CG1-CZ 3.98Å; V389-F394 WeakPolarHBondContact O-CE2 3.43Å |
| 390 | L | 85.5 | Confident | 88.4 | Confident | 8 Ų | 8 | 65.3 Ų | 65.3 | 4% | 0.042 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.2 | -7.9 | -179.4 | -65.4 | -177.8 | 0 | 0 | 0 | 115.5 | L361 L386 L387 N392 F394 K399 A402 F421 V425 | L361-L390 HydrophobicContact CD1-CD2 4.39Å; L386-L390 HydrophobicContact CD1-CD1 4.27Å; L386-L390 HydrophobicContact CD1-CD2 4.45Å; L386-L390 HydrophobicContact CD1-CG 4.13Å; L386-L390 HydrophobicContact CD2-CD1 4.02Å; L386-L390 HydrophobicContact CG-CD1 3.76Å; L386-L390 HydrophobicContact CG-CG 4.04Å; L386-L390 PolarHBondContact O-N 2.95Å; L386-L390 VanDerWaalsContact O-N 3.15Å; L387-L390 PolarHBondContact O-N 3.39Å; L390-N392 PolarHBondContact O-N 2.92Å; L390-F394 HydrophobicContact CD2-CD2 4.16Å; L390-F394 HydrophobicContact CD2-CE2 4.43Å; L390-K399 HydrophobicContact CD2-CG 4.27Å; L390-A402 HydrophobicContact CD1-CB 4.32Å; L390-A402 HydrophobicContact CD2-CB 3.71Å; L390-A402 HydrophobicContact CG-CB 4.47Å; L390-F421 HydrophobicContact CD1-CE1 4.18Å; L390-F421 HydrophobicContact CD1-CZ 3.78Å; L390-V425 HydrophobicContact CB-CG2 4.42Å; L390-V425 HydrophobicContact CD1-CG1 4.3Å; L390-V425 HydrophobicContact CD1-CG2 3.69Å |
| 391 | L | 81.7 | Confident | 88.7 | Confident | 141 Ų | 141 | 55.9 Ų | 55.9 | 74% | 0.738 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17.6 | 169.7 | -64.5 | 176.8 | 0 | 0 | 0 | 112.8 | V389 | V389-L391 PolarHBondContact O-N 3.47Å; V389-L391 VanDerWaalsContact O-N 3.13Å |
| 392 | N | 84.2 | Confident | 89 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 27% | 0.267 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -71.5 | 154.8 | 173.3 | -65.4 | -80.7 | 0 | 0 | 0 | 111 | V389 L390 F394 | V389-N392 WeakPolarHBondContact O-CB 3.36Å; V389-N392 PolarHBondContact O-N 3.36Å; V389-N392 VanDerWaalsContact O-N 3.08Å; V389-N392 PolarHBondContact O-ND2 2.95Å; L390-N392 PolarHBondContact O-N 2.92Å; N392-F394 HydrophobicContact CB-CD2 4.42Å; N392-F394 HydrophobicContact CB-CE1 3.96Å; N392-F394 HydrophobicContact CB-CE2 3.89Å; N392-F394 HydrophobicContact CB-CZ 3.63Å; N392-F394 PolarHBondContact O-N 3.25Å |
| 393 | P | 85.8 | Confident | 89.3 | Confident | 123 Ų | 123 | 51.3 Ų | 51.3 | 80% | 0.799 | 27% | 0.265 | S | S | * | . | trans | -74.6 | 85.2 | -180 | 31.3 | -35.3 | 0 | 0 | 0 | 111.2 | ||||
| 394 | F | 88.9 | Confident | 89.7 | Confident | 27 Ų | 27 | 48.4 Ų | 48.4 | 12% | 0.118 | 25% | 0.25 | C | S | . | . | trans | -98.3 | 162.1 | 171.5 | -56 | -50.4 | 0 | 0 | 0 | 112.4 | N357 L361 V389 L390 N392 D398 K399 | N357-F394 VanDerWaalsContact O-CD1 3.27Å; N357-F394 WeakPolarHBondContact O-CD1 3.49Å; N357-F394 WeakPolarHBondContact O-CE1 3.15Å; L361-F394 HydrophobicContact CB-CE1 4.46Å; L361-F394 HydrophobicContact CB-CE2 4.42Å; L361-F394 HydrophobicContact CB-CZ 4.11Å; L361-F394 HydrophobicContact CD1-CE2 4.43Å; V389-F394 HydrophobicContact CG1-CE2 3.83Å; V389-F394 HydrophobicContact CG1-CZ 3.98Å; V389-F394 WeakPolarHBondContact O-CE2 3.43Å; L390-F394 HydrophobicContact CD2-CD2 4.16Å; L390-F394 HydrophobicContact CD2-CE2 4.43Å; N392-F394 HydrophobicContact CB-CD2 4.42Å; N392-F394 HydrophobicContact CB-CE1 3.96Å; N392-F394 HydrophobicContact CB-CE2 3.89Å; N392-F394 HydrophobicContact CB-CZ 3.63Å; N392-F394 PolarHBondContact O-N 3.25Å; F394-D398 HydrophobicContact CB-CB 3.98Å; F394-K399 HydrophobicContact CB-CG 4.22Å | ||
| 395 | S | 90.7 | Very high | 90.1 | Very high | 53 Ų | 53 | 38.9 Ų | 38.9 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | trans | -63.2 | 162.8 | 172.5 | 79 | 0 | 0 | 0 | 0 | 111.1 | H397 D398 K399 | S395-H397 VanDerWaalsContact C-N 3.32Å; S395-H397 PolarHBondContact O-N 3.4Å; S395-D398 WeakPolarHBondContact CB-OD2 3.33Å; S395-D398 PolarHBondContact N-OD2 3.32Å; S395-D398 PolarHBondContact O-N 3.01Å; S395-D398 PolarHBondContact OG-N 2.97Å; S395-D398 VanDerWaalsContact OG-N 3.11Å; S395-D398 PolarHBondContact OG-OD2 2.69Å; S395-K399 WeakPolarHBondContact O-CG 3.45Å; S395-K399 PolarHBondContact O-N 2.88Å | ||
| 396 | K | 91.6 | Very high | 90.4 | Very high | 114 Ų | 114 | 37.8 Ų | 37.8 | 50% | 0.496 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.8 | -43.9 | 174.9 | -66.1 | -171.5 | 179.6 | -174.2 | 0 | 111.1 | D398 K399 I400 E430 | K396-D398 PolarHBondContact O-N 3.3Å; K396-K399 WeakPolarHBondContact O-CB 2.92Å; K396-K399 PolarHBondContact O-N 2.84Å; K396-I400 WeakPolarHBondContact O-CD1 3.42Å; K396-I400 VanDerWaalsContact O-CG1 3.23Å; K396-I400 WeakPolarHBondContact O-CG1 3.07Å; K396-I400 PolarHBondContact O-N 3.33Å; K396-E430 HydrophobicContact CD-CG 4.31Å; K396-E430 IonicContact NZ-OE1 3.55Å; K396-E430 PolarHBondContact NZ-OE1 3.28Å |
| 397 | H | 93.6 | Very high | 90.6 | Very high | 44 Ų | 44 | 37.8 Ų | 37.8 | 20% | 0.204 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 179.3 | -63.7 | 82.7 | 0 | 0 | 0 | 112 | S395 K399 I400 R401 L570 E571 | S395-H397 VanDerWaalsContact C-N 3.32Å; S395-H397 PolarHBondContact O-N 3.4Å; H397-K399 PolarHBondContact O-N 2.98Å; H397-I400 WeakPolarHBondContact O-CB 3.26Å; H397-I400 PolarHBondContact O-N 2.86Å; H397-R401 VanDerWaalsContact O-CG 3.27Å; H397-R401 WeakPolarHBondContact O-CG 3.48Å; H397-R401 PolarHBondContact O-N 3.34Å; H397-L570 HydrophobicContact CB-CD1 4.22Å; H397-E571 IonicContact CD2-OE1 3.66Å; H397-E571 IonicContact CE1-OE1 3.9Å; H397-E571 IonicContact NE2-OE1 2.67Å; H397-E571 PolarHBondContact NE2-OE1 3.38Å |
| 398 | D | 93.9 | Very high | 91 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 11% | 0.107 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.7 | -62 | -29.7 | 0 | 0 | 0 | 112.3 | H245 L361 F394 S395 K396 I400 R401 A402 | H245-D398 IonicContact CE1-OD1 3.14Å; H245-D398 PolarHBondContact CE1-OD1 2.83Å; H245-D398 IonicContact NE2-OD1 3.04Å; H245-D398 PolarHBondContact NE2-OD1 3.38Å; L361-D398 HydrophobicContact CD2-CB 3.73Å; F394-D398 HydrophobicContact CB-CB 3.98Å; S395-D398 WeakPolarHBondContact CB-OD2 3.33Å; S395-D398 PolarHBondContact N-OD2 3.32Å; S395-D398 PolarHBondContact O-N 3.01Å; S395-D398 PolarHBondContact OG-N 2.97Å; S395-D398 VanDerWaalsContact OG-N 3.11Å; S395-D398 PolarHBondContact OG-OD2 2.69Å; K396-D398 PolarHBondContact O-N 3.3Å; D398-I400 VanDerWaalsContact C-N 3.33Å; D398-I400 PolarHBondContact O-N 3.31Å; D398-R401 PolarHBondContact O-N 3.46Å; D398-A402 WeakPolarHBondContact O-CB 3.35Å; D398-A402 PolarHBondContact O-N 3.16Å |
| 399 | K | 93.2 | Very high | 91.1 | Very high | 36 Ų | 36 | 33.4 Ų | 33.4 | 16% | 0.157 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.3 | -43.1 | 174.5 | -72.8 | 173 | 168.5 | -162.1 | 0 | 111.6 | L390 F394 S395 K396 H397 A402 V403 V425 I427 | L390-K399 HydrophobicContact CD2-CG 4.27Å; F394-K399 HydrophobicContact CB-CG 4.22Å; S395-K399 WeakPolarHBondContact O-CG 3.45Å; S395-K399 PolarHBondContact O-N 2.88Å; K396-K399 WeakPolarHBondContact O-CB 2.92Å; K396-K399 PolarHBondContact O-N 2.84Å; H397-K399 PolarHBondContact O-N 2.98Å; K399-A402 WeakPolarHBondContact O-CB 3.38Å; K399-A402 PolarHBondContact O-N 3.16Å; K399-V403 WeakPolarHBondContact O-CG2 3.37Å; K399-V403 PolarHBondContact O-N 3.06Å; K399-V425 HydrophobicContact CB-CG1 3.67Å; K399-V425 HydrophobicContact CD-CG1 3.71Å; K399-V425 HydrophobicContact CG-CG1 3.82Å; K399-V425 PolarHBondContact NZ-O 3.33Å; K399-I427 HydrophobicContact CB-CG2 4.33Å; K399-I427 HydrophobicContact CD-CG2 4.3Å |
| 400 | I | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.1 | -45.7 | 177.9 | -68.8 | 162.2 | 0 | 0 | 0 | 110.7 | K396 H397 D398 A402 V403 L404 I427 E430 F433 I434 L570 | K396-I400 WeakPolarHBondContact O-CD1 3.42Å; K396-I400 VanDerWaalsContact O-CG1 3.23Å; K396-I400 WeakPolarHBondContact O-CG1 3.07Å; K396-I400 PolarHBondContact O-N 3.33Å; H397-I400 WeakPolarHBondContact O-CB 3.26Å; H397-I400 PolarHBondContact O-N 2.86Å; D398-I400 VanDerWaalsContact C-N 3.33Å; D398-I400 PolarHBondContact O-N 3.31Å; I400-A402 VanDerWaalsContact C-N 3.31Å; I400-A402 PolarHBondContact O-N 3.06Å; I400-V403 PolarHBondContact O-N 2.8Å; I400-L404 HydrophobicContact CG2-CD1 3.88Å; I400-L404 HydrophobicContact CG2-CG 4.38Å; I400-L404 WeakPolarHBondContact O-CG 3.41Å; I400-L404 PolarHBondContact O-N 2.89Å; I400-I427 HydrophobicContact CG1-CD1 4.11Å; I400-E430 HydrophobicContact CD1-CB 3.99Å; I400-E430 HydrophobicContact CD1-CG 4.49Å; I400-F433 HydrophobicContact CD1-CB 4.11Å; I400-F433 HydrophobicContact CD1-CD2 3.62Å; I400-F433 HydrophobicContact CD1-CE2 4Å; I400-F433 HydrophobicContact CD1-CG 3.91Å; I400-F433 HydrophobicContact CG2-CB 3.82Å; I400-F433 HydrophobicContact CG2-CG 4.49Å; I400-I434 HydrophobicContact CG2-CG1 4.42Å; I400-L570 HydrophobicContact CG2-CD1 4.25Å; I400-L570 HydrophobicContact CG2-CD2 4Å |
| 401 | R | 95.7 | Very high | 91.3 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.008 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -55.3 | -47.8 | 175.7 | -68.9 | 162.4 | 70.3 | 157.5 | 12.7 | 111 | I243 L244 H245 D255 H397 D398 V403 L404 L405 L570 | I243-R401 HydrophobicContact CB-CB 4.49Å; I243-R401 HydrophobicContact CB-CG 4.24Å; I243-R401 PolarHBondContact O-NE 3.38Å; I243-R401 PolarHBondContact O-NH2 2.86Å; L244-R401 PolarHBondContact O-NH2 2.93Å; H245-R401 PolarHBondContact CD2-NH1 3.3Å; H245-R401 PolarHBondContact CD2-NH2 3.42Å; H245-R401 PolarHBondContact CE1-NH1 2.89Å; H245-R401 VanDerWaalsContact N-NH2 3.19Å; H245-R401 VanDerWaalsContact NE2-CZ 3.33Å; H245-R401 PolarHBondContact NE2-NH1 3.44Å; D255-R401 IonicContact OD1-CZ 3.13Å; D255-R401 IonicContact OD1-NH1 2.7Å; D255-R401 PolarHBondContact OD1-NH1 3.49Å; D255-R401 IonicContact OD1-NH2 3.67Å; D255-R401 IonicContact OD2-CZ 2.75Å; D255-R401 IonicContact OD2-NH1 2.71Å; D255-R401 PolarHBondContact OD2-NH1 3.39Å; D255-R401 VanDerWaalsContact OD2-NH1 3.16Å; D255-R401 IonicContact OD2-NH2 2.75Å; D255-R401 PolarHBondContact OD2-NH2 3.46Å; H397-R401 VanDerWaalsContact O-CG 3.27Å; H397-R401 WeakPolarHBondContact O-CG 3.48Å; H397-R401 PolarHBondContact O-N 3.34Å; D398-R401 PolarHBondContact O-N 3.46Å; R401-V403 PolarHBondContact O-N 3.21Å; R401-L404 WeakPolarHBondContact O-CB 3.42Å; R401-L404 PolarHBondContact O-N 2.92Å; R401-L405 WeakPolarHBondContact O-CG 3.24Å; R401-L405 PolarHBondContact O-N 3.48Å; R401-L570 HydrophobicContact CG-CD1 3.98Å |
| 402 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L361 L386 L390 D398 K399 I400 L405 Y406 | L361-A402 HydrophobicContact CD1-CB 3.96Å; L386-A402 HydrophobicContact CD1-CB 3.73Å; L386-A402 HydrophobicContact CD2-CB 4.15Å; L386-A402 WeakPolarHBondContact CD2-O 3.46Å; L386-A402 HydrophobicContact CG-CB 4.43Å; L390-A402 HydrophobicContact CD1-CB 4.32Å; L390-A402 HydrophobicContact CD2-CB 3.71Å; L390-A402 HydrophobicContact CG-CB 4.47Å; D398-A402 WeakPolarHBondContact O-CB 3.35Å; D398-A402 PolarHBondContact O-N 3.16Å; K399-A402 WeakPolarHBondContact O-CB 3.38Å; K399-A402 PolarHBondContact O-N 3.16Å; I400-A402 VanDerWaalsContact C-N 3.31Å; I400-A402 PolarHBondContact O-N 3.06Å; A402-L405 PolarHBondContact O-N 3.36Å; A402-Y406 PolarHBondContact O-N 3.24Å |
| 403 | V | 93.8 | Very high | 92 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.2 | -43.6 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111 | K399 I400 R401 Y406 I407 L418 F421 I427 I434 | K399-V403 WeakPolarHBondContact O-CG2 3.37Å; K399-V403 PolarHBondContact O-N 3.06Å; I400-V403 PolarHBondContact O-N 2.8Å; R401-V403 PolarHBondContact O-N 3.21Å; V403-Y406 WeakPolarHBondContact O-CB 3.46Å; V403-Y406 PolarHBondContact O-N 3.41Å; V403-I407 HydrophobicContact CG1-CD1 4.02Å; V403-I407 WeakPolarHBondContact O-CG1 3.42Å; V403-I407 PolarHBondContact O-N 2.92Å; V403-L418 HydrophobicContact CG1-CD1 4.38Å; V403-F421 HydrophobicContact CB-CD1 4.15Å; V403-F421 HydrophobicContact CB-CE1 3.93Å; V403-F421 HydrophobicContact CG1-CD1 3.75Å; V403-F421 HydrophobicContact CG1-CE1 4.01Å; V403-F421 HydrophobicContact CG2-CD1 3.65Å; V403-F421 HydrophobicContact CG2-CE1 3.37Å; V403-I427 HydrophobicContact CG2-CD1 3.98Å; V403-I434 HydrophobicContact CB-CD1 4.41Å; V403-I434 HydrophobicContact CG1-CD1 3.71Å; V403-I434 HydrophobicContact CG1-CG1 4.46Å |
| 404 | L | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 23.3 Ų | 23.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.1 | -44.2 | 176.7 | -73.4 | 168.2 | 0 | 0 | 0 | 111.7 | I243 I400 R401 Y406 I407 F408 I434 W437 L570 | I243-L404 HydrophobicContact CD1-CB 3.5Å; I243-L404 VanDerWaalsContact CD1-CB 3.5Å; I243-L404 HydrophobicContact CD1-CD1 4.36Å; I243-L404 HydrophobicContact CG2-CD1 4.5Å; I400-L404 HydrophobicContact CG2-CD1 3.88Å; I400-L404 HydrophobicContact CG2-CG 4.38Å; I400-L404 WeakPolarHBondContact O-CG 3.41Å; I400-L404 PolarHBondContact O-N 2.89Å; R401-L404 WeakPolarHBondContact O-CB 3.42Å; R401-L404 PolarHBondContact O-N 2.92Å; L404-Y406 VanDerWaalsContact C-N 3.3Å; L404-Y406 PolarHBondContact O-N 2.8Å; L404-I407 PolarHBondContact O-N 3.07Å; L404-I407 VanDerWaalsContact O-N 3.09Å; L404-F408 HydrophobicContact CB-CD2 4.49Å; L404-F408 HydrophobicContact CB-CE2 3.91Å; L404-F408 HydrophobicContact CB-CZ 4.03Å; L404-F408 HydrophobicContact CD2-CE1 4.31Å; L404-F408 HydrophobicContact CD2-CZ 3.88Å; L404-F408 HydrophobicContact CG-CZ 4.47Å; L404-F408 WeakPolarHBondContact O-CD2 3.32Å; L404-F408 WeakPolarHBondContact O-CG 3.44Å; L404-F408 PolarHBondContact O-N 2.9Å; L404-I434 HydrophobicContact CD2-CB 4.41Å; L404-I434 HydrophobicContact CD2-CG1 4.37Å; L404-I434 HydrophobicContact CD2-CG2 4.16Å; L404-W437 HydrophobicContact CD1-CZ2 3.9Å; L404-W437 VanDerWaalsContact CD1-NE1 3.33Å; L404-W437 VanDerWaalsContact CD2-CD1 3.5Å; L404-W437 HydrophobicContact CD2-CD2 4.42Å; L404-W437 HydrophobicContact CD2-CG 4.12Å; L404-L570 HydrophobicContact CD1-CD2 3.66Å |
| 405 | L | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.9 | -40.6 | 175.1 | -73.4 | 169.2 | 0 | 0 | 0 | 112.1 | V240 I243 L244 E365 L368 R401 A402 I407 F408 S409 | V240-L405 HydrophobicContact CB-CD2 4.46Å; V240-L405 HydrophobicContact CG1-CD2 3.81Å; V240-L405 HydrophobicContact CG2-CD2 4.46Å; I243-L405 HydrophobicContact CD1-CD2 3.83Å; I243-L405 HydrophobicContact CD1-CG 3.7Å; I243-L405 HydrophobicContact CG1-CD2 4.02Å; I243-L405 HydrophobicContact CG1-CG 4.19Å; L244-L405 HydrophobicContact CD2-CD1 3.69Å; L244-L405 HydrophobicContact CD2-CD2 3.91Å; L244-L405 HydrophobicContact CD2-CG 4.47Å; L244-L405 HydrophobicContact CG-CD2 4.19Å; E365-L405 HydrophobicContact CB-CD1 3.7Å; E365-L405 HydrophobicContact CG-CD1 3.52Å; L368-L405 HydrophobicContact CB-CB 4.47Å; L368-L405 HydrophobicContact CD1-CB 4.36Å; R401-L405 WeakPolarHBondContact O-CG 3.24Å; R401-L405 PolarHBondContact O-N 3.48Å; A402-L405 PolarHBondContact O-N 3.36Å; L405-I407 PolarHBondContact O-N 3.14Å; L405-F408 PolarHBondContact O-N 2.87Å; L405-S409 VanDerWaalsContact O-CB 3.23Å; L405-S409 WeakPolarHBondContact O-CB 3.49Å; L405-S409 PolarHBondContact O-N 2.79Å |
| 406 | Y | 93 | Very high | 92.2 | Very high | 19 Ų | 19 | 28.8 Ų | 28.8 | 8% | 0.075 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -57.3 | -49 | 171.8 | 162.9 | -94.9 | 0 | 0 | 0 | 111.3 | P382 M383 A402 V403 L404 F408 S409 L410 | P382-Y406 HydrophobicContact CB-CD2 3.65Å; P382-Y406 HydrophobicContact CB-CE2 3.92Å; M383-Y406 HydrophobicContact CB-CE2 4.12Å; A402-Y406 PolarHBondContact O-N 3.24Å; V403-Y406 WeakPolarHBondContact O-CB 3.46Å; V403-Y406 PolarHBondContact O-N 3.41Å; L404-Y406 VanDerWaalsContact C-N 3.3Å; L404-Y406 PolarHBondContact O-N 2.8Å; Y406-F408 PolarHBondContact O-N 3.21Å; Y406-S409 PolarHBondContact O-N 2.96Å; Y406-S409 PolarHBondContact O-OG 3.02Å; Y406-L410 HydrophobicContact CD2-CD1 4.24Å; Y406-L410 HydrophobicContact CE1-CD1 4.06Å; Y406-L410 HydrophobicContact CE2-CD1 3.53Å; Y406-L410 HydrophobicContact CE2-CG 4.47Å; Y406-L410 VanDerWaalsContact CZ-CD1 3.4Å; Y406-L410 PolarHBondContact O-N 2.97Å; Y406-L410 WeakPolarHBondContact OH-CD1 3.29Å |
| 407 | I | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | -180 | -63.5 | 166.5 | 0 | 0 | 0 | 111.1 | V403 L404 L405 S409 L410 S411 G412 T413 L418 I434 I444 | V403-I407 HydrophobicContact CG1-CD1 4.02Å; V403-I407 WeakPolarHBondContact O-CG1 3.42Å; V403-I407 PolarHBondContact O-N 2.92Å; L404-I407 PolarHBondContact O-N 3.07Å; L404-I407 VanDerWaalsContact O-N 3.09Å; L405-I407 PolarHBondContact O-N 3.14Å; I407-S409 VanDerWaalsContact C-N 3.31Å; I407-S409 PolarHBondContact O-N 3.08Å; I407-L410 PolarHBondContact O-N 3.5Å; I407-S411 PolarHBondContact O-N 2.71Å; I407-S411 VanDerWaalsContact O-N 3.09Å; I407-G412 PolarHBondContact O-N 2.74Å; I407-T413 HydrophobicContact CD1-CG2 4.44Å; I407-T413 HydrophobicContact CG1-CG2 4.01Å; I407-L418 HydrophobicContact CD1-CD1 3.93Å; I407-I434 HydrophobicContact CD1-CG2 3.46Å; I407-I434 VanDerWaalsContact CD1-CG2 3.46Å; I407-I444 HydrophobicContact CD1-CG2 4.34Å; I407-I444 HydrophobicContact CG2-CD1 3.95Å; I407-I444 HydrophobicContact CG2-CG2 4.45Å |
| 408 | F | 92.8 | Very high | 91.9 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 8% | 0.079 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 178.9 | -57.4 | -22.7 | 0 | 0 | 0 | 112 | P239 V240 I243 L404 L405 Y406 L410 S411 W437 V442 I444 | P239-F408 HydrophobicContact CB-CD1 4.48Å; P239-F408 HydrophobicContact CB-CD2 3.97Å; P239-F408 HydrophobicContact CB-CE1 4.2Å; P239-F408 HydrophobicContact CB-CE2 3.62Å; P239-F408 HydrophobicContact CB-CG 4.4Å; P239-F408 HydrophobicContact CB-CZ 3.76Å; P239-F408 HydrophobicContact CG-CD1 4.29Å; P239-F408 HydrophobicContact CG-CD2 4.04Å; P239-F408 HydrophobicContact CG-CE1 4.46Å; P239-F408 HydrophobicContact CG-CE2 4.19Å; P239-F408 HydrophobicContact CG-CG 4.1Å; P239-F408 HydrophobicContact CG-CZ 4.42Å; P239-F408 VanDerWaalsContact O-CE2 3.24Å; P239-F408 WeakPolarHBondContact O-CE2 2.94Å; V240-F408 HydrophobicContact CG2-CB 4.05Å; V240-F408 HydrophobicContact CG2-CD2 4.11Å; I243-F408 HydrophobicContact CD1-CD2 3.85Å; I243-F408 HydrophobicContact CD1-CE2 3.48Å; I243-F408 VanDerWaalsContact CD1-CE2 3.48Å; I243-F408 HydrophobicContact CG1-CE2 4.41Å; L404-F408 HydrophobicContact CB-CD2 4.49Å; L404-F408 HydrophobicContact CB-CE2 3.91Å; L404-F408 HydrophobicContact CB-CZ 4.03Å; L404-F408 HydrophobicContact CD2-CE1 4.31Å; L404-F408 HydrophobicContact CD2-CZ 3.88Å; L404-F408 HydrophobicContact CG-CZ 4.47Å; L404-F408 WeakPolarHBondContact O-CD2 3.32Å; L404-F408 WeakPolarHBondContact O-CG 3.44Å; L404-F408 PolarHBondContact O-N 2.9Å; L405-F408 PolarHBondContact O-N 2.87Å; Y406-F408 PolarHBondContact O-N 3.21Å; F408-L410 PolarHBondContact O-N 3.13Å; F408-S411 PolarHBondContact O-N 2.94Å; F408-W437 HydrophobicContact CE1-CD2 4.44Å; F408-W437 HydrophobicContact CE1-CE3 4.38Å; F408-W437 HydrophobicContact CE2-CE3 4.42Å; F408-W437 HydrophobicContact CE2-CH2 4.22Å; F408-W437 HydrophobicContact CE2-CZ2 4.46Å; F408-W437 HydrophobicContact CE2-CZ3 4.22Å; F408-W437 AromaticContact CZ-CD2 3.69Å; F408-W437 HydrophobicContact CZ-CD2 3.69Å; F408-W437 AromaticContact CZ-CE2 3.98Å; F408-W437 AromaticContact CZ-CE3 3.63Å; F408-W437 HydrophobicContact CZ-CE3 3.63Å; F408-W437 HydrophobicContact CZ-CG 4.27Å; F408-W437 HydrophobicContact CZ-CH2 4.15Å; F408-W437 HydrophobicContact CZ-CZ2 4.22Å; F408-W437 AromaticContact CZ-CZ3 3.88Å; F408-W437 HydrophobicContact CZ-CZ3 3.88Å; F408-V442 HydrophobicContact CD1-CG1 3.86Å; F408-V442 HydrophobicContact CE1-CG1 3.48Å; F408-V442 VanDerWaalsContact CE1-CG1 3.48Å; F408-V442 HydrophobicContact CZ-CG1 4.27Å; F408-I444 HydrophobicContact CE1-CD1 3.79Å |
| 409 | S | 90.4 | Very high | 91.7 | Very high | 18 Ų | 18 | 26.1 Ų | 26.1 | 13% | 0.126 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -63.3 | -27.6 | 176.1 | 80.5 | 0 | 0 | 0 | 0 | 112.4 | L368 L405 Y406 I407 K454 | L368-S409 WeakPolarHBondContact O-CB 3.22Å; L405-S409 VanDerWaalsContact O-CB 3.23Å; L405-S409 WeakPolarHBondContact O-CB 3.49Å; L405-S409 PolarHBondContact O-N 2.79Å; Y406-S409 PolarHBondContact O-N 2.96Å; Y406-S409 PolarHBondContact O-OG 3.02Å; I407-S409 VanDerWaalsContact C-N 3.31Å; I407-S409 PolarHBondContact O-N 3.08Å; S409-K454 WeakPolarHBondContact O-CE 3.06Å; S409-K454 PolarHBondContact O-NZ 3.37Å |
| 410 | L | 88.3 | Confident | 91.4 | Very high | 58 Ų | 58 | 29.6 Ų | 29.6 | 30% | 0.304 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -99.8 | -3.7 | 179.2 | -64.8 | -179.6 | 0 | 0 | 0 | 113.8 | P382 Y406 I407 F408 G412 F451 | P382-L410 HydrophobicContact CG-CD2 3.97Å; Y406-L410 HydrophobicContact CD2-CD1 4.24Å; Y406-L410 HydrophobicContact CE1-CD1 4.06Å; Y406-L410 HydrophobicContact CE2-CD1 3.53Å; Y406-L410 HydrophobicContact CE2-CG 4.47Å; Y406-L410 VanDerWaalsContact CZ-CD1 3.4Å; Y406-L410 PolarHBondContact O-N 2.97Å; Y406-L410 WeakPolarHBondContact OH-CD1 3.29Å; I407-L410 PolarHBondContact O-N 3.5Å; F408-L410 PolarHBondContact O-N 3.13Å; L410-G412 VanDerWaalsContact C-N 3.26Å; L410-G412 WeakPolarHBondContact CB-O 3.43Å; L410-G412 PolarHBondContact O-N 3.14Å; L410-F451 WeakPolarHBondContact O-CD1 3.43Å; L410-F451 WeakPolarHBondContact O-CE1 3.46Å |
| 411 | S | 88.1 | Confident | 90.9 | Very high | 20 Ų | 20 | 29.7 Ų | 29.7 | 14% | 0.14 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.6 | 37.1 | -170.5 | -54.4 | 0 | 0 | 0 | 0 | 113.1 | I407 F408 S452 | I407-S411 PolarHBondContact O-N 2.71Å; I407-S411 VanDerWaalsContact O-N 3.09Å; F408-S411 PolarHBondContact O-N 2.94Å; S411-S452 PolarHBondContact OG-O 2.71Å |
| 412 | G | 89.1 | Confident | 90.6 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.153 | C | C | . | . | trans | 117.9 | 165 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | I407 L410 I444 T446 | I407-G412 PolarHBondContact O-N 2.74Å; L410-G412 VanDerWaalsContact C-N 3.26Å; L410-G412 WeakPolarHBondContact CB-O 3.43Å; L410-G412 PolarHBondContact O-N 3.14Å; G412-I444 WeakPolarHBondContact CA-O 3.49Å; G412-T446 WeakPolarHBondContact CA-OG1 3.23Å | ||
| 413 | T | 90.4 | Very high | 90.3 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | B | Isolated β-bridge | trans | -140.3 | 168.9 | 177.2 | -175.4 | 0 | 0 | 0 | 0 | 111 | I407 N417 L418 I444 I445 T446 | I407-T413 HydrophobicContact CD1-CG2 4.44Å; I407-T413 HydrophobicContact CG1-CG2 4.01Å; T413-N417 WeakPolarHBondContact OG1-CB 3.45Å; T413-L418 HydrophobicContact CG2-CB 3.93Å; T413-I444 PolarHBondContact N-O 3.35Å; T413-I445 CarbonylContact O-C 3.58Å; T413-I445 VanDerWaalsContact O-CA 3.27Å; T413-I445 WeakPolarHBondContact O-CA 3.08Å; T413-T446 PolarHBondContact O-N 2.97Å |
| 414 | T | 90.7 | Very high | 89.9 | Confident | 54 Ų | 54 | 41 Ų | 41 | 33% | 0.331 | 21% | 0.205 | S | C | . | . | trans | -79.4 | 154.6 | 169.7 | 66.4 | 0 | 0 | 0 | 0 | 111 | E416 N417 L418 | T414-E416 VanDerWaalsContact C-N 3.3Å; T414-E416 PolarHBondContact O-N 3.15Å; T414-N417 PolarHBondContact O-N 3.16Å; T414-N417 WeakPolarHBondContact OG1-CB 3.41Å; T414-N417 VanDerWaalsContact OG1-CG 3.23Å; T414-N417 PolarHBondContact OG1-N 3.43Å; T414-N417 PolarHBondContact OG1-ND2 3.39Å; T414-L418 PolarHBondContact O-N 2.86Å | ||
| 415 | D | 89.9 | Confident | 89.4 | Confident | 59 Ų | 59 | 41.2 Ų | 41.2 | 32% | 0.316 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62 | -38.8 | 178.6 | -166.2 | 60.8 | 0 | 0 | 0 | 112 | N417 L418 N419 R431 I445 | D415-N417 PolarHBondContact O-N 2.66Å; D415-L418 PolarHBondContact O-N 3.38Å; D415-N419 WeakPolarHBondContact O-CB 3.46Å; D415-N419 PolarHBondContact O-N 3.39Å; D415-N419 PolarHBondContact O-ND2 3.13Å; D415-N419 VanDerWaalsContact O-ND2 3.11Å; D415-N419 PolarHBondContact OD2-ND2 3.32Å; D415-R431 IonicContact OD1-CZ 3.71Å; D415-R431 IonicContact OD1-NH2 2.78Å; D415-R431 PolarHBondContact OD1-NH2 3.4Å; D415-R431 IonicContact OD2-NH2 2.67Å; D415-I445 HydrophobicContact CB-CD1 4.3Å; D415-I445 HydrophobicContact CB-CG2 4.41Å; D415-I445 WeakPolarHBondContact OD1-CD1 3.44Å |
| 416 | E | 89.6 | Confident | 89.1 | Confident | 135 Ų | 135 | 48.8 Ų | 48.8 | 63% | 0.631 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.5 | -45.2 | 175.7 | -66.2 | -179.6 | -166.4 | 0 | 0 | 112.5 | T414 N419 K420 | T414-E416 VanDerWaalsContact C-N 3.3Å; T414-E416 PolarHBondContact O-N 3.15Å; E416-N419 PolarHBondContact O-N 2.93Å; E416-K420 WeakPolarHBondContact O-CG 3.46Å; E416-K420 PolarHBondContact O-N 3.43Å |
| 417 | N | 88 | Confident | 88.9 | Confident | 71 Ų | 71 | 48 Ų | 48 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.2 | -40.4 | 178.8 | -75 | -8.9 | 0 | 0 | 0 | 110.9 | T413 T414 D415 K420 F421 | T413-N417 WeakPolarHBondContact OG1-CB 3.45Å; T414-N417 PolarHBondContact O-N 3.16Å; T414-N417 WeakPolarHBondContact OG1-CB 3.41Å; T414-N417 VanDerWaalsContact OG1-CG 3.23Å; T414-N417 PolarHBondContact OG1-N 3.43Å; T414-N417 PolarHBondContact OG1-ND2 3.39Å; D415-N417 PolarHBondContact O-N 2.66Å; N417-K420 PolarHBondContact O-N 3.39Å; N417-F421 WeakPolarHBondContact O-CB 3.33Å; N417-F421 PolarHBondContact O-N 3.05Å |
| 418 | L | 90 | Very high | 88.6 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 176.1 | -179.7 | 57.4 | 0 | 0 | 0 | 111.4 | V403 I407 T413 T414 D415 K420 F421 I422 I434 L435 I444 I445 | V403-L418 HydrophobicContact CG1-CD1 4.38Å; I407-L418 HydrophobicContact CD1-CD1 3.93Å; T413-L418 HydrophobicContact CG2-CB 3.93Å; T414-L418 PolarHBondContact O-N 2.86Å; D415-L418 PolarHBondContact O-N 3.38Å; L418-K420 PolarHBondContact O-N 3.47Å; L418-F421 PolarHBondContact O-N 3.32Å; L418-F421 VanDerWaalsContact O-N 3.15Å; L418-I422 HydrophobicContact CD1-CD1 3.87Å; L418-I422 HydrophobicContact CD1-CG1 4.09Å; L418-I422 HydrophobicContact CG-CD1 3.83Å; L418-I422 HydrophobicContact CG-CG1 4.43Å; L418-I422 WeakPolarHBondContact O-CB 3.33Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 3.3Å; L418-I434 HydrophobicContact CD1-CD1 4.39Å; L418-I434 HydrophobicContact CD1-CG2 4.12Å; L418-I434 HydrophobicContact CD2-CG2 4.27Å; L418-L435 HydrophobicContact CD2-CD2 3.85Å; L418-I444 HydrophobicContact CD2-CG2 4.39Å; L418-I445 HydrophobicContact CD2-CG1 4.46Å |
| 419 | N | 89.3 | Confident | 88.2 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 27% | 0.267 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | -179.9 | -69.4 | -30 | 0 | 0 | 0 | 111.7 | D415 E416 F421 I422 Q423 | D415-N419 WeakPolarHBondContact O-CB 3.46Å; D415-N419 PolarHBondContact O-N 3.39Å; D415-N419 PolarHBondContact O-ND2 3.13Å; D415-N419 VanDerWaalsContact O-ND2 3.11Å; D415-N419 PolarHBondContact OD2-ND2 3.32Å; E416-N419 PolarHBondContact O-N 2.93Å; N419-F421 VanDerWaalsContact C-N 3.29Å; N419-F421 PolarHBondContact O-N 3.46Å; N419-I422 PolarHBondContact O-N 2.62Å; N419-Q423 VanDerWaalsContact O-CG 3.32Å; N419-Q423 WeakPolarHBondContact O-CG 3.46Å; N419-Q423 PolarHBondContact O-N 3.34Å |
| 420 | K | 87.6 | Confident | 88.2 | Confident | 108 Ų | 108 | 58.9 Ų | 58.9 | 47% | 0.47 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.7 | -41.6 | 173.8 | -73.7 | 171.8 | -177.1 | 167.8 | 0 | 111.6 | E416 N417 L418 Q423 H424 | E416-K420 WeakPolarHBondContact O-CG 3.46Å; E416-K420 PolarHBondContact O-N 3.43Å; N417-K420 PolarHBondContact O-N 3.39Å; L418-K420 PolarHBondContact O-N 3.47Å; K420-Q423 PolarHBondContact O-N 3.29Å; K420-H424 PolarHBondContact O-N 3.2Å |
| 421 | F | 85.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 60.2 Ų | 60.2 | 1% | 0.013 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.5 | -44.5 | -179.1 | -158 | -119.1 | 0 | 0 | 0 | 112.1 | M383 L386 L387 L390 V403 N417 L418 N419 Q423 H424 V425 | M383-F421 HydrophobicContact CE-CD2 3.88Å; M383-F421 HydrophobicContact CE-CE2 4.41Å; M383-F421 HydrophobicContact CG-CE2 4.34Å; L386-F421 HydrophobicContact CD2-CE1 4.02Å; L386-F421 HydrophobicContact CD2-CZ 3.66Å; L386-F421 HydrophobicContact CG-CZ 4.22Å; L387-F421 HydrophobicContact CD1-CE2 4.1Å; L390-F421 HydrophobicContact CD1-CE1 4.18Å; L390-F421 HydrophobicContact CD1-CZ 3.78Å; V403-F421 HydrophobicContact CB-CD1 4.15Å; V403-F421 HydrophobicContact CB-CE1 3.93Å; V403-F421 HydrophobicContact CG1-CD1 3.75Å; V403-F421 HydrophobicContact CG1-CE1 4.01Å; V403-F421 HydrophobicContact CG2-CD1 3.65Å; V403-F421 HydrophobicContact CG2-CE1 3.37Å; N417-F421 WeakPolarHBondContact O-CB 3.33Å; N417-F421 PolarHBondContact O-N 3.05Å; L418-F421 PolarHBondContact O-N 3.32Å; L418-F421 VanDerWaalsContact O-N 3.15Å; N419-F421 VanDerWaalsContact C-N 3.29Å; N419-F421 PolarHBondContact O-N 3.46Å; F421-Q423 VanDerWaalsContact C-N 3.32Å; F421-Q423 PolarHBondContact O-N 3.14Å; F421-H424 PolarHBondContact O-N 3.1Å; F421-V425 HydrophobicContact CE1-CG2 4.34Å; F421-V425 HydrophobicContact CE2-CG2 4.49Å; F421-V425 HydrophobicContact CZ-CG2 4.32Å; F421-V425 WeakPolarHBondContact O-CB 3.39Å; F421-V425 VanDerWaalsContact O-CG2 3.27Å; F421-V425 WeakPolarHBondContact O-CG2 3.38Å; F421-V425 PolarHBondContact O-N 3.24Å |
| 422 | I | 87.9 | Confident | 88.5 | Confident | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.5 | -44 | 175.1 | -74.8 | 174.5 | 0 | 0 | 0 | 111.3 | L418 N419 V425 K426 I427 E428 R431 I434 | L418-I422 HydrophobicContact CD1-CD1 3.87Å; L418-I422 HydrophobicContact CD1-CG1 4.09Å; L418-I422 HydrophobicContact CG-CD1 3.83Å; L418-I422 HydrophobicContact CG-CG1 4.43Å; L418-I422 WeakPolarHBondContact O-CB 3.33Å; L418-I422 WeakPolarHBondContact O-CG1 3.35Å; L418-I422 PolarHBondContact O-N 3.3Å; N419-I422 PolarHBondContact O-N 2.62Å; I422-V425 PolarHBondContact O-N 2.64Å; I422-K426 PolarHBondContact O-N 3.5Å; I422-I427 HydrophobicContact CB-CG1 4.38Å; I422-I427 HydrophobicContact CG1-CD1 4.46Å; I422-I427 HydrophobicContact CG1-CG1 4.35Å; I422-I427 HydrophobicContact CG2-CG1 4.15Å; I422-I427 PolarHBondContact O-N 3.1Å; I422-E428 HydrophobicContact CG2-CB 4.43Å; I422-E428 HydrophobicContact CG2-CG 4.27Å; I422-R431 HydrophobicContact CD1-CB 4.37Å; I422-R431 HydrophobicContact CD1-CG 3.96Å; I422-I434 HydrophobicContact CD1-CD1 4.03Å; I422-I434 HydrophobicContact CG1-CD1 4.11Å |
| 423 | Q | 87.9 | Confident | 88.8 | Confident | 119 Ų | 119 | 63 Ų | 63 | 56% | 0.556 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.2 | -43.8 | 177.4 | -73.9 | 175.7 | 0.7 | 0 | 0 | 112.5 | N419 K420 F421 V425 K426 E428 | N419-Q423 VanDerWaalsContact O-CG 3.32Å; N419-Q423 WeakPolarHBondContact O-CG 3.46Å; N419-Q423 PolarHBondContact O-N 3.34Å; K420-Q423 PolarHBondContact O-N 3.29Å; F421-Q423 VanDerWaalsContact C-N 3.32Å; F421-Q423 PolarHBondContact O-N 3.14Å; Q423-V425 VanDerWaalsContact C-N 3.29Å; Q423-V425 PolarHBondContact O-N 3.11Å; Q423-K426 PolarHBondContact O-N 2.98Å; Q423-E428 HydrophobicContact CG-CG 4.46Å |
| 424 | H | 85.4 | Confident | 89 | Confident | 115 Ų | 115 | 62.7 Ų | 62.7 | 53% | 0.532 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 178.2 | -73.8 | 179.8 | 0 | 0 | 0 | 112.7 | L387 K420 F421 | L387-H424 HydrophobicContact CD1-CB 4.21Å; K420-H424 PolarHBondContact O-N 3.2Å; F421-H424 PolarHBondContact O-N 3.1Å |
| 425 | V | 85.9 | Confident | 89.2 | Confident | 3 Ų | 3 | 61.7 Ų | 61.7 | 2% | 0.018 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -87.4 | -11.5 | -176.8 | 179.7 | 0 | 0 | 0 | 0 | 112.5 | L390 K399 F421 I422 Q423 I427 | L390-V425 HydrophobicContact CB-CG2 4.42Å; L390-V425 HydrophobicContact CD1-CG1 4.3Å; L390-V425 HydrophobicContact CD1-CG2 3.69Å; K399-V425 HydrophobicContact CB-CG1 3.67Å; K399-V425 HydrophobicContact CD-CG1 3.71Å; K399-V425 HydrophobicContact CG-CG1 3.82Å; K399-V425 PolarHBondContact NZ-O 3.33Å; F421-V425 HydrophobicContact CE1-CG2 4.34Å; F421-V425 HydrophobicContact CE2-CG2 4.49Å; F421-V425 HydrophobicContact CZ-CG2 4.32Å; F421-V425 WeakPolarHBondContact O-CB 3.39Å; F421-V425 VanDerWaalsContact O-CG2 3.27Å; F421-V425 WeakPolarHBondContact O-CG2 3.38Å; F421-V425 PolarHBondContact O-N 3.24Å; I422-V425 PolarHBondContact O-N 2.64Å; Q423-V425 VanDerWaalsContact C-N 3.29Å; Q423-V425 PolarHBondContact O-N 3.11Å; V425-I427 HydrophobicContact CB-CG1 4.3Å; V425-I427 HydrophobicContact CG1-CD1 4.22Å; V425-I427 HydrophobicContact CG1-CG1 4.23Å; V425-I427 HydrophobicContact CG1-CG2 4.22Å |
| 426 | K | 88.3 | Confident | 89.5 | Confident | 161 Ų | 161 | 59.5 Ų | 59.5 | 70% | 0.7 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 53.7 | -179.8 | -54.5 | -179.4 | 179.2 | -178.5 | 0 | 113.1 | I422 Q423 E428 | I422-K426 PolarHBondContact O-N 3.5Å; Q423-K426 PolarHBondContact O-N 2.98Å; K426-E428 VanDerWaalsContact CA-OE2 3.3Å; K426-E428 WeakPolarHBondContact CA-OE2 3.31Å |
| 427 | I | 88.4 | Confident | 89.8 | Confident | 4 Ų | 4 | 53.1 Ų | 53.1 | 2% | 0.021 | 25% | 0.25 | C | S | . | . | trans | -128.2 | 34.8 | 179.7 | 57.2 | 168.8 | 0 | 0 | 0 | 112.1 | K399 I400 V403 I422 V425 D429 E430 I434 | K399-I427 HydrophobicContact CB-CG2 4.33Å; K399-I427 HydrophobicContact CD-CG2 4.3Å; I400-I427 HydrophobicContact CG1-CD1 4.11Å; V403-I427 HydrophobicContact CG2-CD1 3.98Å; I422-I427 HydrophobicContact CB-CG1 4.38Å; I422-I427 HydrophobicContact CG1-CD1 4.46Å; I422-I427 HydrophobicContact CG1-CG1 4.35Å; I422-I427 HydrophobicContact CG2-CG1 4.15Å; I422-I427 PolarHBondContact O-N 3.1Å; V425-I427 HydrophobicContact CB-CG1 4.3Å; V425-I427 HydrophobicContact CG1-CD1 4.22Å; V425-I427 HydrophobicContact CG1-CG1 4.23Å; V425-I427 HydrophobicContact CG1-CG2 4.22Å; I427-D429 VanDerWaalsContact C-N 3.32Å; I427-D429 PolarHBondContact O-N 3.04Å; I427-E430 HydrophobicContact CB-CB 4.31Å; I427-E430 PolarHBondContact O-N 3.22Å; I427-I434 HydrophobicContact CD1-CD1 4.22Å | ||
| 428 | E | 86.4 | Confident | 90.1 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 46% | 0.463 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -57.7 | -40 | -172.4 | -63.1 | 86 | 166.2 | 0 | 0 | 113.3 | I422 Q423 K426 E430 | I422-E428 HydrophobicContact CG2-CB 4.43Å; I422-E428 HydrophobicContact CG2-CG 4.27Å; Q423-E428 HydrophobicContact CG-CG 4.46Å; K426-E428 VanDerWaalsContact CA-OE2 3.3Å; K426-E428 WeakPolarHBondContact CA-OE2 3.31Å; E428-E430 PolarHBondContact O-N 2.83Å |
| 429 | D | 86.4 | Confident | 90.3 | Very high | 144 Ų | 144 | 58 Ų | 58 | 77% | 0.77 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -76.7 | -4.1 | -179.6 | -59.5 | -40 | 0 | 0 | 0 | 113.7 | I427 | I427-D429 VanDerWaalsContact C-N 3.32Å; I427-D429 PolarHBondContact O-N 3.04Å |
| 430 | E | 89.1 | Confident | 90.6 | Very high | 20 Ų | 20 | 55.6 Ų | 55.6 | 9% | 0.093 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -112 | 15.3 | -168.6 | -53.3 | -60.7 | -178.7 | 0 | 0 | 112.3 | K396 I400 I427 E428 E432 F433 K574 | K396-E430 HydrophobicContact CD-CG 4.31Å; K396-E430 IonicContact NZ-OE1 3.55Å; K396-E430 PolarHBondContact NZ-OE1 3.28Å; I400-E430 HydrophobicContact CD1-CB 3.99Å; I400-E430 HydrophobicContact CD1-CG 4.49Å; I427-E430 HydrophobicContact CB-CB 4.31Å; I427-E430 PolarHBondContact O-N 3.22Å; E428-E430 PolarHBondContact O-N 2.83Å; E430-E432 PolarHBondContact O-N 3.42Å; E430-E432 VanDerWaalsContact O-N 3.13Å; E430-F433 HydrophobicContact CB-CD2 3.83Å; E430-F433 HydrophobicContact CB-CE2 4.3Å; E430-F433 WeakPolarHBondContact O-CB 3.33Å; E430-F433 PolarHBondContact O-N 2.75Å; E430-F433 VanDerWaalsContact O-N 3.1Å; E430-F433 WeakPolarHBondContact OE2-CE2 3.23Å; E430-K574 IonicContact OE2-NZ 2.67Å; E430-K574 PolarHBondContact OE2-NZ 3.14Å |
| 431 | R | 90.2 | Very high | 90.8 | Very high | 86 Ų | 86 | 51.4 Ų | 51.4 | 33% | 0.325 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -29.1 | -176 | -168.8 | 175 | -176.5 | -143 | 2.3 | 113.7 | D415 I422 F433 I434 L435 | D415-R431 IonicContact OD1-CZ 3.71Å; D415-R431 IonicContact OD1-NH2 2.78Å; D415-R431 PolarHBondContact OD1-NH2 3.4Å; D415-R431 IonicContact OD2-NH2 2.67Å; I422-R431 HydrophobicContact CD1-CB 4.37Å; I422-R431 HydrophobicContact CD1-CG 3.96Å; R431-F433 VanDerWaalsContact C-N 3.3Å; R431-F433 PolarHBondContact O-N 2.97Å; R431-I434 PolarHBondContact O-N 3.4Å; R431-I434 VanDerWaalsContact O-N 3.09Å; R431-L435 HydrophobicContact CG-CD1 3.73Å; R431-L435 HydrophobicContact CG-CG 3.91Å; R431-L435 PolarHBondContact O-N 3.17Å |
| 432 | E | 92.8 | Very high | 91.1 | Very high | 74 Ų | 74 | 51.6 Ų | 51.6 | 35% | 0.346 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -33.8 | 178.1 | -63.8 | -169.8 | 125.9 | 0 | 0 | 113 | E430 I434 N436 K574 S577 | E430-E432 PolarHBondContact O-N 3.42Å; E430-E432 VanDerWaalsContact O-N 3.13Å; E432-I434 PolarHBondContact O-N 3.5Å; E432-I434 VanDerWaalsContact O-N 3.15Å; E432-N436 VanDerWaalsContact O-CB 3.31Å; E432-N436 WeakPolarHBondContact O-CB 3.34Å; E432-N436 VanDerWaalsContact O-CG 3.28Å; E432-N436 PolarHBondContact O-N 3.44Å; E432-N436 PolarHBondContact O-ND2 2.97Å; E432-K574 HydrophobicContact CB-CG 4.27Å; E432-S577 VanDerWaalsContact CD-OG 3.3Å; E432-S577 PolarHBondContact OE1-OG 3.04Å |
| 433 | F | 94.4 | Very high | 91.2 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -23.9 | 175.1 | -76.3 | -77.6 | 0 | 0 | 0 | 112.7 | I400 E430 R431 W437 L570 E571 K574 | I400-F433 HydrophobicContact CD1-CB 4.11Å; I400-F433 HydrophobicContact CD1-CD2 3.62Å; I400-F433 HydrophobicContact CD1-CE2 4Å; I400-F433 HydrophobicContact CD1-CG 3.91Å; I400-F433 HydrophobicContact CG2-CB 3.82Å; I400-F433 HydrophobicContact CG2-CG 4.49Å; E430-F433 HydrophobicContact CB-CD2 3.83Å; E430-F433 HydrophobicContact CB-CE2 4.3Å; E430-F433 WeakPolarHBondContact O-CB 3.33Å; E430-F433 PolarHBondContact O-N 2.75Å; E430-F433 VanDerWaalsContact O-N 3.1Å; E430-F433 WeakPolarHBondContact OE2-CE2 3.23Å; R431-F433 VanDerWaalsContact C-N 3.3Å; R431-F433 PolarHBondContact O-N 2.97Å; F433-W437 PolarHBondContact O-NE1 3Å; F433-W437 VanDerWaalsContact O-NE1 3.1Å; F433-L570 HydrophobicContact CD1-CB 3.72Å; F433-L570 HydrophobicContact CD1-CD2 4.44Å; F433-L570 WeakPolarHBondContact CD1-O 3.39Å; F433-L570 VanDerWaalsContact CE1-C 3.42Å; F433-L570 HydrophobicContact CE1-CB 3.76Å; F433-L570 WeakPolarHBondContact CE1-O 3.27Å; F433-E571 WeakPolarHBondContact CZ-OE1 3.48Å; F433-K574 HydrophobicContact CD1-CB 3.78Å; F433-K574 HydrophobicContact CD1-CD 4.3Å; F433-K574 HydrophobicContact CD2-CD 3.82Å; F433-K574 HydrophobicContact CE1-CB 3.77Å; F433-K574 HydrophobicContact CE1-CD 3.86Å; F433-K574 HydrophobicContact CE1-CG 4.47Å; F433-K574 HydrophobicContact CE2-CD 3.4Å; F433-K574 VanDerWaalsContact CE2-CD 3.4Å; F433-K574 HydrophobicContact CG-CB 4.18Å; F433-K574 HydrophobicContact CG-CD 4.29Å; F433-K574 HydrophobicContact CZ-CB 4.22Å; F433-K574 HydrophobicContact CZ-CD 3.4Å; F433-K574 HydrophobicContact CZ-CG 4.45Å |
| 434 | I | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -97.1 | -50.6 | -178 | -60.6 | 166 | 0 | 0 | 0 | 110.6 | I400 V403 L404 I407 L418 I422 I427 R431 E432 N436 I444 | I400-I434 HydrophobicContact CG2-CG1 4.42Å; V403-I434 HydrophobicContact CB-CD1 4.41Å; V403-I434 HydrophobicContact CG1-CD1 3.71Å; V403-I434 HydrophobicContact CG1-CG1 4.46Å; L404-I434 HydrophobicContact CD2-CB 4.41Å; L404-I434 HydrophobicContact CD2-CG1 4.37Å; L404-I434 HydrophobicContact CD2-CG2 4.16Å; I407-I434 HydrophobicContact CD1-CG2 3.46Å; I407-I434 VanDerWaalsContact CD1-CG2 3.46Å; L418-I434 HydrophobicContact CD1-CD1 4.39Å; L418-I434 HydrophobicContact CD1-CG2 4.12Å; L418-I434 HydrophobicContact CD2-CG2 4.27Å; I422-I434 HydrophobicContact CD1-CD1 4.03Å; I422-I434 HydrophobicContact CG1-CD1 4.11Å; I427-I434 HydrophobicContact CD1-CD1 4.22Å; R431-I434 PolarHBondContact O-N 3.4Å; R431-I434 VanDerWaalsContact O-N 3.09Å; E432-I434 PolarHBondContact O-N 3.5Å; E432-I434 VanDerWaalsContact O-N 3.15Å; I434-N436 PolarHBondContact O-N 2.94Å; I434-I444 HydrophobicContact CG2-CG2 3.89Å; I434-I444 WeakPolarHBondContact O-CG1 3.42Å |
| 435 | L | 95.2 | Very high | 91.7 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 17% | 0.173 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.9 | -32.7 | -172.4 | -66.1 | -176.8 | 0 | 0 | 0 | 113.7 | L418 R431 W437 K438 I444 I445 | L418-L435 HydrophobicContact CD2-CD2 3.85Å; R431-L435 HydrophobicContact CG-CD1 3.73Å; R431-L435 HydrophobicContact CG-CG 3.91Å; R431-L435 PolarHBondContact O-N 3.17Å; L435-W437 PolarHBondContact O-N 3.32Å; L435-K438 WeakPolarHBondContact O-CB 3.41Å; L435-K438 WeakPolarHBondContact O-CD 3.24Å; L435-K438 WeakPolarHBondContact O-CG 3.47Å; L435-K438 PolarHBondContact O-N 3.36Å; L435-I444 HydrophobicContact CD2-CG2 4.1Å; L435-I445 HydrophobicContact CD2-CD1 3.72Å; L435-I445 HydrophobicContact CD2-CG1 4.15Å |
| 436 | N | 96.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 48.2 Ų | 48.2 | 7% | 0.07 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -70.9 | -11.3 | -174.2 | -70.2 | -6.2 | 0 | 0 | 0 | 113.4 | E432 I434 K438 E439 I573 K574 L576 S577 | E432-N436 VanDerWaalsContact O-CB 3.31Å; E432-N436 WeakPolarHBondContact O-CB 3.34Å; E432-N436 VanDerWaalsContact O-CG 3.28Å; E432-N436 PolarHBondContact O-N 3.44Å; E432-N436 PolarHBondContact O-ND2 2.97Å; I434-N436 PolarHBondContact O-N 2.94Å; N436-K438 PolarHBondContact O-N 3.38Å; N436-K438 VanDerWaalsContact O-N 3.16Å; N436-E439 VanDerWaalsContact O-CB 3.31Å; N436-E439 WeakPolarHBondContact O-CB 3.3Å; N436-E439 WeakPolarHBondContact O-CG 3.24Å; N436-E439 PolarHBondContact O-N 3.43Å; N436-I573 HydrophobicContact CB-CG2 3.7Å; N436-I573 WeakPolarHBondContact CB-O 3.39Å; N436-I573 PolarHBondContact ND2-O 2.98Å; N436-K574 PolarHBondContact ND2-O 3.47Å; N436-L576 HydrophobicContact CB-CB 4.37Å; N436-S577 WeakPolarHBondContact ND2-CB 3.2Å; N436-S577 PolarHBondContact ND2-N 3.15Å; N436-S577 PolarHBondContact ND2-OG 2.9Å |
| 437 | W | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -59.4 | -22.8 | 170 | -78.3 | 85 | 0 | 0 | 0 | 113.3 | P239 I243 L404 F408 F433 L435 E439 L440 V442 I444 L569 I573 | P239-W437 HydrophobicContact CB-CE3 3.98Å; P239-W437 HydrophobicContact CB-CH2 4.36Å; P239-W437 HydrophobicContact CB-CZ3 3.49Å; P239-W437 VanDerWaalsContact CB-CZ3 3.49Å; I243-W437 HydrophobicContact CG2-CH2 3.85Å; I243-W437 HydrophobicContact CG2-CZ2 3.68Å; L404-W437 HydrophobicContact CD1-CZ2 3.9Å; L404-W437 VanDerWaalsContact CD1-NE1 3.33Å; L404-W437 VanDerWaalsContact CD2-CD1 3.5Å; L404-W437 HydrophobicContact CD2-CD2 4.42Å; L404-W437 HydrophobicContact CD2-CG 4.12Å; F408-W437 HydrophobicContact CE1-CD2 4.44Å; F408-W437 HydrophobicContact CE1-CE3 4.38Å; F408-W437 HydrophobicContact CE2-CE3 4.42Å; F408-W437 HydrophobicContact CE2-CH2 4.22Å; F408-W437 HydrophobicContact CE2-CZ2 4.46Å; F408-W437 HydrophobicContact CE2-CZ3 4.22Å; F408-W437 AromaticContact CZ-CD2 3.69Å; F408-W437 HydrophobicContact CZ-CD2 3.69Å; F408-W437 AromaticContact CZ-CE2 3.98Å; F408-W437 AromaticContact CZ-CE3 3.63Å; F408-W437 HydrophobicContact CZ-CE3 3.63Å; F408-W437 HydrophobicContact CZ-CG 4.27Å; F408-W437 HydrophobicContact CZ-CH2 4.15Å; F408-W437 HydrophobicContact CZ-CZ2 4.22Å; F408-W437 AromaticContact CZ-CZ3 3.88Å; F408-W437 HydrophobicContact CZ-CZ3 3.88Å; F433-W437 PolarHBondContact O-NE1 3Å; F433-W437 VanDerWaalsContact O-NE1 3.1Å; L435-W437 PolarHBondContact O-N 3.32Å; W437-E439 PolarHBondContact O-N 3.22Å; W437-L440 HydrophobicContact CE3-CD2 4.36Å; W437-L440 HydrophobicContact CZ3-CD2 4.5Å; W437-L440 WeakPolarHBondContact O-CB 3.22Å; W437-L440 PolarHBondContact O-N 3.16Å; W437-V442 HydrophobicContact CB-CB 4.42Å; W437-V442 HydrophobicContact CE3-CG2 4.22Å; W437-V442 PolarHBondContact O-N 3.45Å; W437-I444 HydrophobicContact CB-CD1 3.61Å; W437-I444 HydrophobicContact CB-CG1 3.77Å; W437-I444 HydrophobicContact CG-CD1 4.31Å; W437-L569 HydrophobicContact CH2-CD2 3.79Å; W437-L569 HydrophobicContact CZ2-CD2 4.17Å; W437-I573 HydrophobicContact CD2-CD1 3.57Å; W437-I573 HydrophobicContact CE3-CD1 4.05Å; W437-I573 HydrophobicContact CG-CD1 4.12Å; W437-I573 HydrophobicContact CG-CG2 4.37Å; W437-I573 HydrophobicContact CH2-CD1 3.86Å; W437-I573 HydrophobicContact CZ2-CD1 3.33Å; W437-I573 HydrophobicContact CZ3-CD1 4.18Å |
| 438 | K | 94.2 | Very high | 89.4 | Confident | 123 Ų | 123 | 48.4 Ų | 48.4 | 54% | 0.535 | 26% | 0.26 | S | S | . | . | G | 310 helix | trans | -58.8 | -28.8 | 172.4 | 78.3 | -170.5 | -177.5 | 180 | 0 | 112.8 | L435 N436 L440 G441 V442 | L435-K438 WeakPolarHBondContact O-CB 3.41Å; L435-K438 WeakPolarHBondContact O-CD 3.24Å; L435-K438 WeakPolarHBondContact O-CG 3.47Å; L435-K438 PolarHBondContact O-N 3.36Å; N436-K438 PolarHBondContact O-N 3.38Å; N436-K438 VanDerWaalsContact O-N 3.16Å; K438-L440 PolarHBondContact O-N 2.88Å; K438-G441 PolarHBondContact O-N 2.9Å; K438-V442 WeakPolarHBondContact CA-O 3.37Å |
| 439 | E | 94.8 | Very high | 87.9 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 24% | 0.243 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -71.7 | -16.1 | 178.4 | -53 | -55.5 | 150.1 | 0 | 0 | 112.2 | M196 N436 W437 G441 L576 | M196-E439 WeakPolarHBondContact CE-O 3.33Å; N436-E439 VanDerWaalsContact O-CB 3.31Å; N436-E439 WeakPolarHBondContact O-CB 3.3Å; N436-E439 WeakPolarHBondContact O-CG 3.24Å; N436-E439 PolarHBondContact O-N 3.43Å; W437-E439 PolarHBondContact O-N 3.22Å; E439-G441 VanDerWaalsContact C-N 3.3Å; E439-L576 HydrophobicContact CB-CD1 4.01Å; E439-L576 HydrophobicContact CG-CD1 4.47Å |
| 440 | L | 94.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -92.3 | 11 | 170.4 | -79.1 | 65 | 0 | 0 | 0 | 111.6 | F153 Y157 R235 G236 W437 K438 V442 L576 | F153-L440 HydrophobicContact CE1-CD1 4.5Å; F153-L440 HydrophobicContact CE2-CD1 4.49Å; F153-L440 HydrophobicContact CE2-CD2 4.12Å; F153-L440 HydrophobicContact CZ-CD1 3.84Å; F153-L440 HydrophobicContact CZ-CD2 3.97Å; F153-L440 HydrophobicContact CZ-CG 4.36Å; Y157-L440 HydrophobicContact CD1-CD1 4.14Å; Y157-L440 HydrophobicContact CD1-CG 4.01Å; Y157-L440 HydrophobicContact CD2-CD1 4.47Å; Y157-L440 HydrophobicContact CE1-CG 4.16Å; Y157-L440 HydrophobicContact CG-CD1 3.99Å; Y157-L440 HydrophobicContact CG-CG 4.23Å; R235-L440 HydrophobicContact CB-CD2 4.07Å; R235-L440 HydrophobicContact CG-CD2 3.98Å; G236-L440 WeakPolarHBondContact CA-O 3.49Å; W437-L440 HydrophobicContact CE3-CD2 4.36Å; W437-L440 HydrophobicContact CZ3-CD2 4.5Å; W437-L440 WeakPolarHBondContact O-CB 3.22Å; W437-L440 PolarHBondContact O-N 3.16Å; K438-L440 PolarHBondContact O-N 2.88Å; L440-V442 HydrophobicContact CB-CG2 4.17Å; L440-V442 PolarHBondContact O-N 3.23Å; L440-L576 HydrophobicContact CD1-CD1 3.67Å |
| 441 | G | 91.6 | Very high | 84.7 | Confident | 20 Ų | 20 | 53.6 Ų | 53.6 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 7.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | K438 E439 | K438-G441 PolarHBondContact O-N 2.9Å; E439-G441 VanDerWaalsContact C-N 3.3Å |
| 442 | V | 92.1 | Very high | 83.2 | Confident | 7 Ų | 7 | 53.5 Ų | 53.5 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | trans | -86.4 | 124.2 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 110 | P239 F408 W437 K438 L440 I444 | P239-V442 HydrophobicContact CB-CG1 4.1Å; P239-V442 HydrophobicContact CB-CG2 4.02Å; P239-V442 HydrophobicContact CG-CG1 4.03Å; P239-V442 HydrophobicContact CG-CG2 4.35Å; F408-V442 HydrophobicContact CD1-CG1 3.86Å; F408-V442 HydrophobicContact CE1-CG1 3.48Å; F408-V442 VanDerWaalsContact CE1-CG1 3.48Å; F408-V442 HydrophobicContact CZ-CG1 4.27Å; W437-V442 HydrophobicContact CB-CB 4.42Å; W437-V442 HydrophobicContact CE3-CG2 4.22Å; W437-V442 PolarHBondContact O-N 3.45Å; K438-V442 WeakPolarHBondContact CA-O 3.37Å; L440-V442 HydrophobicContact CB-CG2 4.17Å; L440-V442 PolarHBondContact O-N 3.23Å; V442-I444 PolarHBondContact O-N 3.17Å | ||
| 443 | P | 90.3 | Very high | 81.7 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | trans | -69.9 | 120.5 | -178.8 | 27 | -33.1 | 0 | 0 | 0 | 111.4 | T446 | P443-T446 HydrophobicContact CB-CG2 3.71Š| ||
| 444 | I | 93 | Very high | 80.6 | Confident | 4 Ų | 4 | 65.7 Ų | 65.7 | 2% | 0.021 | 35% | 0.346 | C | S | . | . | trans | -107.4 | -58.5 | 176.2 | -58.9 | -60.3 | 0 | 0 | 0 | 111 | I407 F408 G412 T413 L418 I434 L435 W437 V442 | I407-I444 HydrophobicContact CD1-CG2 4.34Å; I407-I444 HydrophobicContact CG2-CD1 3.95Å; I407-I444 HydrophobicContact CG2-CG2 4.45Å; F408-I444 HydrophobicContact CE1-CD1 3.79Å; G412-I444 WeakPolarHBondContact CA-O 3.49Å; T413-I444 PolarHBondContact N-O 3.35Å; L418-I444 HydrophobicContact CD2-CG2 4.39Å; I434-I444 HydrophobicContact CG2-CG2 3.89Å; I434-I444 WeakPolarHBondContact O-CG1 3.42Å; L435-I444 HydrophobicContact CD2-CG2 4.1Å; W437-I444 HydrophobicContact CB-CD1 3.61Å; W437-I444 HydrophobicContact CB-CG1 3.77Å; W437-I444 HydrophobicContact CG-CD1 4.31Å; V442-I444 PolarHBondContact O-N 3.17Å | ||
| 445 | I | 90.8 | Very high | 79.5 | Confident | 87 Ų | 87 | 70.3 Ų | 70.3 | 45% | 0.446 | 38% | 0.376 | S | S | . | . | B | Isolated β-bridge | trans | -101.1 | 119.5 | 174.8 | -58.6 | 176 | 0 | 0 | 0 | 108.3 | T413 D415 L418 L435 | T413-I445 CarbonylContact O-C 3.58Å; T413-I445 VanDerWaalsContact O-CA 3.27Å; T413-I445 WeakPolarHBondContact O-CA 3.08Å; D415-I445 HydrophobicContact CB-CD1 4.3Å; D415-I445 HydrophobicContact CB-CG2 4.41Å; D415-I445 WeakPolarHBondContact OD1-CD1 3.44Å; L418-I445 HydrophobicContact CD2-CG1 4.46Å; L435-I445 HydrophobicContact CD2-CD1 3.72Å; L435-I445 HydrophobicContact CD2-CG1 4.15Å |
| 446 | T | 84.3 | Confident | 78.8 | Confident | 21 Ų | 21 | 76.5 Ų | 76.5 | 13% | 0.129 | 41% | 0.409 | C | S | . | . | trans | -131.6 | 144 | -179.4 | 53.5 | 0 | 0 | 0 | 0 | 111.1 | G412 T413 P443 | G412-T446 WeakPolarHBondContact CA-OG1 3.23Å; T413-T446 PolarHBondContact O-N 2.97Å; P443-T446 HydrophobicContact CB-CG2 3.71Å | ||
| 447 | T | 71.6 | Confident | 78.6 | Confident | 94 Ų | 94 | 79.7 Ų | 79.7 | 58% | 0.577 | 42% | 0.42 | S | S | * | . | trans | -77.6 | 143 | 165.1 | 48.1 | 0 | 0 | 0 | 0 | 109.2 | S449 F450 | T447-S449 PolarHBondContact O-N 3.38Å; T447-F450 PolarHBondContact O-N 2.77Å; T447-F450 VanDerWaalsContact O-N 3.12Å | ||
| 448 | A | 57.7 | Low | 78.3 | Confident | 75 Ų | 75 | 82.5 Ų | 82.5 | 62% | 0.62 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -11.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | F451 | A448-F451 HydrophobicContact CB-CE2 4.27Å; A448-F451 VanDerWaalsContact O-CD2 3.29Å; A448-F451 WeakPolarHBondContact O-CD2 3.29Å; A448-F451 WeakPolarHBondContact O-CE2 3.38Å |
| 449 | S | 54.3 | Low | 77.9 | Confident | 105 Ų | 105 | 83.1 Ų | 83.1 | 73% | 0.734 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -9.2 | -177.9 | -33.8 | 0 | 0 | 0 | 0 | 114.7 | T447 | T447-S449 PolarHBondContact O-N 3.38Š|
| 450 | F | 52.1 | Low | 77.5 | Confident | 160 Ų | 160 | 81.7 Ų | 81.7 | 70% | 0.702 | 43% | 0.434 | S | S | * | . | trans | -122.1 | 27.4 | -169.4 | -79.2 | -83.6 | 0 | 0 | 0 | 114.8 | T447 S452 | T447-F450 PolarHBondContact O-N 2.77Å; T447-F450 VanDerWaalsContact O-N 3.12Å; F450-S452 PolarHBondContact O-N 3.5Å | ||
| 451 | F | 56.4 | Low | 76.7 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 47% | 0.469 | 45% | 0.453 | S | S | . | . | trans | -64.1 | 108.1 | 174 | -66.6 | -64.9 | 0 | 0 | 0 | 110.7 | L410 A448 | L410-F451 WeakPolarHBondContact O-CD1 3.43Å; L410-F451 WeakPolarHBondContact O-CE1 3.46Å; A448-F451 HydrophobicContact CB-CE2 4.27Å; A448-F451 VanDerWaalsContact O-CD2 3.29Å; A448-F451 WeakPolarHBondContact O-CD2 3.29Å; A448-F451 WeakPolarHBondContact O-CE2 3.38Å | ||
| 452 | S | 59.6 | Low | 76 | Confident | 84 Ų | 84 | 92.1 Ų | 92.1 | 59% | 0.587 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 138.3 | 173.4 | 178.5 | 0 | 0 | 0 | 0 | 110.2 | S411 F450 K454 | S411-S452 PolarHBondContact OG-O 2.71Å; F450-S452 PolarHBondContact O-N 3.5Å; S452-K454 PolarHBondContact O-N 3.06Å |
| 453 | R | 61.4 | Low | 75.3 | Confident | 235 Ų | 235 | 97.7 Ų | 97.7 | 89% | 0.887 | 51% | 0.509 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 127 | 170.6 | -73.5 | -174.9 | -176.2 | 178.8 | 1.7 | 108.5 | ||
| 454 | K | 69.8 | Low | 74.6 | Confident | 99 Ų | 99 | 98.6 Ų | 98.6 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 141.3 | 172 | -69 | -172.3 | -179.1 | 178.6 | 0 | 109.9 | S409 S452 | S409-K454 WeakPolarHBondContact O-CE 3.06Å; S409-K454 PolarHBondContact O-NZ 3.37Å; S452-K454 PolarHBondContact O-N 3.06Å |
| 455 | P | 73.8 | Confident | 74.2 | Confident | 96 Ų | 96 | 103.5 Ų | 103.5 | 62% | 0.623 | 54% | 0.539 | S | S | * | . | P | Polyproline II helix | trans | -61 | 142.4 | 174.3 | 25.5 | -32.3 | 0 | 0 | 0 | 109.9 | R457 | P455-R457 PolarHBondContact O-N 2.76Š|
| 456 | N | 81.1 | Confident | 74.2 | Confident | 164 Ų | 164 | 102.5 Ų | 102.5 | 88% | 0.877 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -65 | 127.3 | 174.7 | -72.8 | -20.8 | 0 | 0 | 0 | 109 | ||
| 457 | R | 91.1 | Very high | 74.5 | Confident | 80 Ų | 80 | 106.6 Ų | 106.6 | 30% | 0.302 | 55% | 0.551 | S | S | . | * | P | Polyproline II helix | trans | -93.8 | 148 | 175.9 | -59.4 | -57.5 | -51.8 | -79.6 | -4.6 | 109.7 | P455 T472 D477 | P455-R457 PolarHBondContact O-N 2.76Å; R457-T472 PolarHBondContact NH1-O 3.32Å; R457-T472 VanDerWaalsContact NH1-O 3.16Å; R457-T472 PolarHBondContact NH2-O 3.32Å; R457-D477 IonicContact CZ-OD2 3.32Å; R457-D477 IonicContact NE-OD2 3.36Å; R457-D477 PolarHBondContact NE-OD2 3.45Å; R457-D477 IonicContact NH2-OD1 3.22Å; R457-D477 PolarHBondContact NH2-OD1 2.79Å; R457-D477 IonicContact NH2-OD2 3.98Å; R457-D477 PolarHBondContact NH2-OD2 3.11Å |
| 458 | K | 90.2 | Very high | 75.6 | Confident | 59 Ų | 59 | 104 Ų | 104 | 26% | 0.257 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -66.6 | 133.2 | 169.8 | -78.9 | -178.2 | 178.7 | -178.4 | 0 | 110.3 | R460 D477 E480 D481 | K458-R460 PolarHBondContact O-N 3.12Å; K458-R460 PolarHBondContact O-NH1 3.4Å; K458-D477 PolarHBondContact N-OD2 2.83Å; K458-E480 WeakPolarHBondContact CD-OE2 3.46Å; K458-E480 IonicContact NZ-OE2 3.48Å; K458-E480 PolarHBondContact NZ-OE2 3.43Å; K458-E480 VanDerWaalsContact NZ-OE2 3.14Å; K458-D481 WeakPolarHBondContact CE-OD1 3.27Å; K458-D481 IonicContact NZ-OD1 3.66Å; K458-D481 PolarHBondContact NZ-OD1 3.48Å |
| 459 | D | 85.3 | Confident | 77.4 | Confident | 135 Ų | 135 | 102.2 Ų | 102.2 | 72% | 0.722 | 52% | 0.516 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 120.3 | 176.4 | -175.9 | -0.5 | 0 | 0 | 0 | 110.1 | S461 | D459-S461 VanDerWaalsContact OD1-CB 3.31Å; D459-S461 WeakPolarHBondContact OD1-CB 3.4Å; D459-S461 PolarHBondContact OD1-N 2.88Å; D459-S461 PolarHBondContact OD1-OG 2.92Å |
| 460 | R | 86.7 | Confident | 79.3 | Confident | 22 Ų | 22 | 97.9 Ų | 97.9 | 8% | 0.083 | 48% | 0.483 | C | S | . | . | trans | -127.9 | 22.1 | 178.6 | -63.2 | -171.9 | -174.3 | 81 | -5.5 | 112.4 | K458 Q462 E463 D477 E480 | K458-R460 PolarHBondContact O-N 3.12Å; K458-R460 PolarHBondContact O-NH1 3.4Å; R460-Q462 PolarHBondContact O-N 3.38Å; R460-E463 HydrophobicContact CB-CB 4.49Å; R460-E463 PolarHBondContact O-N 2.91Å; R460-D477 IonicContact CZ-OD1 3.03Å; R460-D477 IonicContact NH1-OD1 2.93Å; R460-D477 PolarHBondContact NH1-OD1 3Å; R460-D477 IonicContact NH2-OD1 3.47Å; R460-D477 PolarHBondContact NH2-OD1 3.33Å; R460-E480 IonicContact CZ-OE1 3.71Å; R460-E480 IonicContact CZ-OE2 3.6Å; R460-E480 IonicContact NE-OE1 3.61Å; R460-E480 VanDerWaalsContact NH2-CD 3.34Å; R460-E480 IonicContact NH2-OE1 3.87Å; R460-E480 PolarHBondContact NH2-OE1 3.48Å; R460-E480 IonicContact NH2-OE2 2.83Å; R460-E480 PolarHBondContact NH2-OE2 3.47Å | ||
| 461 | S | 78.5 | Confident | 81.4 | Confident | 57 Ų | 57 | 91.5 Ų | 91.5 | 40% | 0.399 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -26.8 | -179.1 | 51.3 | 0 | 0 | 0 | 0 | 114 | D459 | D459-S461 VanDerWaalsContact OD1-CB 3.31Å; D459-S461 WeakPolarHBondContact OD1-CB 3.4Å; D459-S461 PolarHBondContact OD1-N 2.88Å; D459-S461 PolarHBondContact OD1-OG 2.92Å |
| 462 | Q | 75.1 | Confident | 83.3 | Confident | 183 Ų | 183 | 87.7 Ų | 87.7 | 86% | 0.855 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -17.8 | 177.5 | -58.2 | -59.3 | -53.2 | 0 | 0 | 114.4 | R460 | R460-Q462 PolarHBondContact O-N 3.38Š|
| 463 | E | 77.8 | Confident | 85.1 | Confident | 124 Ų | 124 | 83.7 Ų | 83.7 | 58% | 0.579 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.8 | -14.3 | 178.6 | -61.6 | -179.7 | -174 | 0 | 0 | 112 | R460 T465 | R460-E463 HydrophobicContact CB-CB 4.49Å; R460-E463 PolarHBondContact O-N 2.91Å; E463-T465 PolarHBondContact O-N 3.3Å; E463-T465 PolarHBondContact O-OG1 3.04Å |
| 464 | E | 77.1 | Confident | 86.8 | Confident | 80 Ų | 80 | 73.6 Ų | 73.6 | 37% | 0.374 | 38% | 0.377 | S | S | . | . | trans | -67.3 | 97.5 | -176.9 | -68.2 | -178 | -166.2 | 0 | 0 | 111.3 | R470 | E464-R470 HydrophobicContact CG-CB 4.47Å; E464-R470 HydrophobicContact CG-CG 4.31Å; E464-R470 VanDerWaalsContact OE2-CD 3.3Å; E464-R470 WeakPolarHBondContact OE2-CD 3.48Å; E464-R470 VanDerWaalsContact OE2-CG 3.28Å; E464-R470 WeakPolarHBondContact OE2-CG 3.13Å | ||
| 465 | T | 82.9 | Confident | 88.1 | Confident | 107 Ų | 107 | 69 Ų | 69 | 66% | 0.656 | 36% | 0.357 | S | S | * | . | trans | -89 | -28 | 178.1 | -54.2 | 0 | 0 | 0 | 0 | 112.2 | E463 | E463-T465 PolarHBondContact O-N 3.3Å; E463-T465 PolarHBondContact O-OG1 3.04Å | ||
| 466 | Y | 92 | Very high | 89.3 | Confident | 66 Ų | 66 | 65.4 Ų | 65.4 | 26% | 0.259 | 33% | 0.331 | S | S | . | . | trans | -126.5 | 123.3 | -173.2 | -59.1 | -80.4 | 0 | 0 | 0 | 111.7 | H292 A294 E295 L468 S469 | H292-Y466 HydrophobicContact CB-CD2 4.13Å; H292-Y466 HydrophobicContact CB-CE2 3.63Å; H292-Y466 AromaticContact CD2-CD2 3.81Å; H292-Y466 AromaticContact CE1-CD1 3.59Å; H292-Y466 AromaticContact CE1-CE1 3.84Å; H292-Y466 AromaticContact CE1-CG 3.79Å; H292-Y466 AromaticContact CG-CD2 3.71Å; H292-Y466 AromaticContact CG-CE2 3.58Å; H292-Y466 AromaticContact CG-CZ 3.86Å; H292-Y466 AromaticContact ND1-CD1 3.74Å; H292-Y466 AromaticContact ND1-CD2 3.95Å; H292-Y466 AromaticContact ND1-CE1 3.53Å; H292-Y466 AromaticContact ND1-CE2 3.76Å; H292-Y466 AromaticContact ND1-CG 3.95Å; H292-Y466 AromaticContact ND1-CZ 3.55Å; H292-Y466 AromaticContact NE2-CG 3.84Å; A294-Y466 HydrophobicContact CB-CE1 4.01Å; E295-Y466 WeakPolarHBondContact CG-OH 3.2Å; E295-Y466 PolarHBondContact OE1-OH 3.36Å; Y466-L468 PolarHBondContact O-N 3.29Å; Y466-L468 VanDerWaalsContact O-N 3.08Å; Y466-S469 CarbonylContact O-C 3.56Å; Y466-S469 PolarHBondContact O-N 2.85Å | ||
| 467 | N | 91 | Very high | 90 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 57% | 0.572 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -25.9 | -177.4 | -66.5 | -2.1 | 0 | 0 | 0 | 114.3 | A374 R470 | A374-N467 HydrophobicContact CB-CB 4.2Å; N467-R470 PolarHBondContact O-NE 3Å |
| 468 | L | 94 | Very high | 90.3 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 20% | 0.204 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8.6 | -179.8 | -59.2 | -177.7 | 0 | 0 | 0 | 113.3 | L247 F354 C362 K363 Q366 Y466 | L247-L468 HydrophobicContact CD1-CB 3.63Å; L247-L468 HydrophobicContact CD1-CD1 4.43Å; F354-L468 HydrophobicContact CE2-CD1 4.38Å; F354-L468 HydrophobicContact CZ-CD1 3.76Å; C362-L468 HydrophobicContact CB-CD1 4.45Å; C362-L468 HydrophobicContact CB-CD2 4.33Å; K363-L468 HydrophobicContact CB-CD2 3.87Å; K363-L468 HydrophobicContact CG-CD2 4.46Å; Q366-L468 WeakPolarHBondContact CG-O 3.35Å; Y466-L468 PolarHBondContact O-N 3.29Å; Y466-L468 VanDerWaalsContact O-N 3.08Å |
| 469 | S | 95.2 | Very high | 90.6 | Very high | 38 Ų | 38 | 52 Ų | 52 | 27% | 0.266 | 27% | 0.269 | S | S | . | . | trans | -142.4 | 50.8 | -179.1 | -57 | 0 | 0 | 0 | 0 | 111 | Y466 | Y466-S469 CarbonylContact O-C 3.56Å; Y466-S469 PolarHBondContact O-N 2.85Å | ||
| 470 | R | 94.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 47.3 Ų | 47.3 | 5% | 0.049 | 24% | 0.243 | C | C | . | . | trans | -87.1 | -32.2 | -178.8 | -64.9 | 179.6 | -75.6 | 142 | 1.7 | 112.1 | D367 V370 A372 D373 E464 N467 T472 | D367-R470 IonicContact OD1-CZ 3.76Å; D367-R470 IonicContact OD1-NH2 2.71Å; D367-R470 PolarHBondContact OD1-NH2 3.16Å; V370-R470 HydrophobicContact CG2-CB 3.93Å; A372-R470 PolarHBondContact O-NH1 3.1Å; D373-R470 PolarHBondContact O-NH1 3.32Å; E464-R470 HydrophobicContact CG-CB 4.47Å; E464-R470 HydrophobicContact CG-CG 4.31Å; E464-R470 VanDerWaalsContact OE2-CD 3.3Å; E464-R470 WeakPolarHBondContact OE2-CD 3.48Å; E464-R470 VanDerWaalsContact OE2-CG 3.28Å; E464-R470 WeakPolarHBondContact OE2-CG 3.13Å; N467-R470 PolarHBondContact O-NE 3Å; R470-T472 PolarHBondContact O-N 3.47Å | ||
| 471 | W | 95.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 10% | 0.098 | 25% | 0.249 | C | C | . | . | trans | -60.9 | 128.7 | 176.1 | 176.6 | -99.4 | 0 | 0 | 0 | 111.2 | V240 S241 L244 A369 V474 | V240-W471 HydrophobicContact CB-CH2 3.9Å; V240-W471 HydrophobicContact CB-CZ2 3.67Å; V240-W471 HydrophobicContact CG1-CD2 3.94Å; V240-W471 HydrophobicContact CG1-CE3 4.17Å; V240-W471 HydrophobicContact CG1-CH2 3.8Å; V240-W471 HydrophobicContact CG1-CZ2 3.58Å; V240-W471 HydrophobicContact CG1-CZ3 4.1Å; V240-W471 HydrophobicContact CG2-CH2 4.32Å; S241-W471 PolarHBondContact OG-NE1 3.2Å; L244-W471 HydrophobicContact CD1-CB 3.7Å; L244-W471 HydrophobicContact CD1-CD2 3.91Å; L244-W471 HydrophobicContact CD1-CG 3.3Å; A369-W471 HydrophobicContact CB-CB 4.41Å; A369-W471 HydrophobicContact CB-CD2 4.21Å; A369-W471 HydrophobicContact CB-CE3 3.85Å; A369-W471 HydrophobicContact CB-CG 4.47Å; A369-W471 HydrophobicContact CB-CZ3 4.47Å; A369-W471 WeakPolarHBondContact O-CZ3 3.3Å; W471-V474 HydrophobicContact CH2-CG2 4.09Å; W471-V474 HydrophobicContact CZ2-CG2 4Å | ||
| 472 | T | 96.6 | Very high | 92.2 | Very high | 28 Ų | 28 | 45.5 Ų | 45.5 | 17% | 0.172 | 23% | 0.23 | C | C | . | . | trans | -108.3 | 131.2 | 168.5 | -65.5 | 0 | 0 | 0 | 0 | 108.3 | R457 R470 K476 | R457-T472 PolarHBondContact NH1-O 3.32Å; R457-T472 VanDerWaalsContact NH1-O 3.16Å; R457-T472 PolarHBondContact NH2-O 3.32Å; R470-T472 PolarHBondContact O-N 3.47Å; T472-K476 HydrophobicContact CG2-CB 3.82Å; T472-K476 HydrophobicContact CG2-CD 3.62Å; T472-K476 HydrophobicContact CG2-CG 4.27Å | ||
| 473 | P | 97.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -55.4 | 139.6 | 174.5 | -28.5 | 36.4 | 0 | 0 | 0 | 113 | S241 I475 K476 E540 | S241-P473 VanDerWaalsContact OG-CA 3.27Å; S241-P473 WeakPolarHBondContact OG-CA 3.35Å; S241-P473 WeakPolarHBondContact OG-CB 3.21Å; P473-I475 HydrophobicContact CB-CG2 4.22Å; P473-I475 PolarHBondContact O-N 3.37Å; P473-I475 VanDerWaalsContact O-N 3.16Å; P473-K476 WeakPolarHBondContact O-CB 3.2Å; P473-K476 PolarHBondContact O-N 3.34Å; P473-E540 HydrophobicContact CB-CG 4.01Å | ||
| 474 | V | 96.9 | Very high | 93.5 | Very high | 22 Ų | 22 | 36.9 Ų | 36.9 | 13% | 0.133 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -30.5 | -176.1 | 177.8 | 0 | 0 | 0 | 0 | 111 | F237 D238 W471 K476 D477 V478 | F237-V474 HydrophobicContact CD2-CG1 4.37Å; F237-V474 HydrophobicContact CE2-CB 4.25Å; F237-V474 HydrophobicContact CE2-CG1 4.32Å; D238-V474 HydrophobicContact CB-CB 4Å; D238-V474 HydrophobicContact CB-CG2 4.07Å; D238-V474 WeakPolarHBondContact OD2-CB 3.37Å; D238-V474 WeakPolarHBondContact OD2-CG2 3.47Å; D238-V474 PolarHBondContact OD2-N 2.94Å; W471-V474 HydrophobicContact CH2-CG2 4.09Å; W471-V474 HydrophobicContact CZ2-CG2 4Å; V474-K476 PolarHBondContact O-N 2.91Å; V474-D477 WeakPolarHBondContact O-CB 3.43Å; V474-D477 PolarHBondContact O-N 3.46Å; V474-D477 VanDerWaalsContact O-N 3.13Å; V474-V478 PolarHBondContact O-N 2.89Å |
| 475 | I | 97.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -26.5 | 178.7 | -156.8 | 69.3 | 0 | 0 | 0 | 113.2 | V233 F237 P473 V478 M479 I530 E540 C543 | V233-I475 HydrophobicContact CG1-CD1 4.36Å; F237-I475 HydrophobicContact CE2-CB 4.15Å; F237-I475 HydrophobicContact CE2-CD1 3.81Å; F237-I475 HydrophobicContact CZ-CB 3.99Å; F237-I475 HydrophobicContact CZ-CD1 3.74Å; F237-I475 HydrophobicContact CZ-CG1 4.35Å; P473-I475 HydrophobicContact CB-CG2 4.22Å; P473-I475 PolarHBondContact O-N 3.37Å; P473-I475 VanDerWaalsContact O-N 3.16Å; I475-V478 HydrophobicContact CD1-CB 4.32Å; I475-V478 HydrophobicContact CD1-CG1 4.43Å; I475-V478 WeakPolarHBondContact O-CB 3.15Å; I475-V478 PolarHBondContact O-N 3.3Å; I475-M479 HydrophobicContact CG1-CE 3.87Å; I475-M479 HydrophobicContact CG2-CE 3.95Å; I475-M479 WeakPolarHBondContact O-CB 3.45Å; I475-M479 WeakPolarHBondContact O-CG 3.27Å; I475-M479 PolarHBondContact O-N 3.27Å; I475-I530 HydrophobicContact CD1-CD1 4.45Å; I475-I530 HydrophobicContact CD1-CG2 3.89Å; I475-I530 HydrophobicContact CG1-CD1 4.29Å; I475-I530 HydrophobicContact CG1-CG2 4.28Å; I475-E540 HydrophobicContact CG2-CB 3.95Å; I475-E540 HydrophobicContact CG2-CG 3.85Å; I475-C543 HydrophobicContact CG2-CB 4.24Å |
| 476 | K | 97.7 | Very high | 94.5 | Very high | 21 Ų | 21 | 39 Ų | 39 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 176.4 | -166.2 | 177.1 | 174.6 | 178.4 | 0 | 111.4 | T472 P473 V474 V478 M479 E480 C543 E546 V547 | T472-K476 HydrophobicContact CG2-CB 3.82Å; T472-K476 HydrophobicContact CG2-CD 3.62Å; T472-K476 HydrophobicContact CG2-CG 4.27Å; P473-K476 WeakPolarHBondContact O-CB 3.2Å; P473-K476 PolarHBondContact O-N 3.34Å; V474-K476 PolarHBondContact O-N 2.91Å; K476-V478 VanDerWaalsContact C-N 3.29Å; K476-V478 PolarHBondContact O-N 3.47Å; K476-M479 PolarHBondContact O-N 3.02Å; K476-E480 WeakPolarHBondContact CE-OE1 3.33Å; K476-E480 WeakPolarHBondContact O-CG 2.98Å; K476-E480 PolarHBondContact O-N 3.47Å; K476-C543 HydrophobicContact CB-CB 3.97Å; K476-C543 HydrophobicContact CG-CB 4.2Å; K476-E546 VanDerWaalsContact CE-OE2 3.29Å; K476-E546 WeakPolarHBondContact CE-OE2 3.42Å; K476-E546 IonicContact NZ-OE2 3.66Å; K476-E546 PolarHBondContact NZ-OE2 3.09Å; K476-V547 HydrophobicContact CG-CG2 3.93Å |
| 477 | D | 96.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.059 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59 | -45.9 | 174.7 | -59.2 | 8.4 | 0 | 0 | 0 | 109.7 | R457 K458 R460 V474 E480 D481 | R457-D477 IonicContact CZ-OD2 3.32Å; R457-D477 IonicContact NE-OD2 3.36Å; R457-D477 PolarHBondContact NE-OD2 3.45Å; R457-D477 IonicContact NH2-OD1 3.22Å; R457-D477 PolarHBondContact NH2-OD1 2.79Å; R457-D477 IonicContact NH2-OD2 3.98Å; R457-D477 PolarHBondContact NH2-OD2 3.11Å; K458-D477 PolarHBondContact N-OD2 2.83Å; R460-D477 IonicContact CZ-OD1 3.03Å; R460-D477 IonicContact NH1-OD1 2.93Å; R460-D477 PolarHBondContact NH1-OD1 3Å; R460-D477 IonicContact NH2-OD1 3.47Å; R460-D477 PolarHBondContact NH2-OD1 3.33Å; V474-D477 WeakPolarHBondContact O-CB 3.43Å; V474-D477 PolarHBondContact O-N 3.46Å; V474-D477 VanDerWaalsContact O-N 3.13Å; D477-E480 PolarHBondContact O-N 3.2Å; D477-D481 WeakPolarHBondContact O-CB 3.18Å; D477-D481 PolarHBondContact O-N 3.45Å |
| 478 | V | 96.8 | Very high | 94.5 | Very high | 11 Ų | 11 | 35.2 Ų | 35.2 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 177.9 | 177.8 | 0 | 0 | 0 | 0 | 111.7 | L231 V474 I475 K476 D481 A482 L487 W492 | L231-V478 HydrophobicContact CD1-CG1 3.85Å; V474-V478 PolarHBondContact O-N 2.89Å; I475-V478 HydrophobicContact CD1-CB 4.32Å; I475-V478 HydrophobicContact CD1-CG1 4.43Å; I475-V478 WeakPolarHBondContact O-CB 3.15Å; I475-V478 PolarHBondContact O-N 3.3Å; K476-V478 VanDerWaalsContact C-N 3.29Å; K476-V478 PolarHBondContact O-N 3.47Å; V478-D481 PolarHBondContact O-N 3.11Å; V478-A482 VanDerWaalsContact O-CB 3.23Å; V478-A482 WeakPolarHBondContact O-CB 3.23Å; V478-A482 PolarHBondContact O-N 3.44Å; V478-L487 HydrophobicContact CG1-CD1 4.12Å; V478-W492 HydrophobicContact CB-CZ2 4.33Å; V478-W492 HydrophobicContact CG1-CH2 3.75Å; V478-W492 HydrophobicContact CG1-CZ2 3.62Å; V478-W492 HydrophobicContact CG1-CZ3 4.41Å; V478-W492 HydrophobicContact CG2-CH2 4.33Å; V478-W492 HydrophobicContact CG2-CZ2 3.66Å |
| 479 | M | 97.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.8 | -51.9 | 177.7 | -73.8 | 165.3 | -179.6 | 0 | 0 | 111.1 | I475 K476 D481 A482 V483 L528 I530 C543 A544 V547 V556 V558 | I475-M479 HydrophobicContact CG1-CE 3.87Å; I475-M479 HydrophobicContact CG2-CE 3.95Å; I475-M479 WeakPolarHBondContact O-CB 3.45Å; I475-M479 WeakPolarHBondContact O-CG 3.27Å; I475-M479 PolarHBondContact O-N 3.27Å; K476-M479 PolarHBondContact O-N 3.02Å; M479-D481 PolarHBondContact O-N 3Å; M479-A482 PolarHBondContact O-N 3.5Å; M479-V483 WeakPolarHBondContact O-CB 3.46Å; M479-V483 VanDerWaalsContact O-CG2 3.24Å; M479-V483 WeakPolarHBondContact O-CG2 3.43Å; M479-V483 PolarHBondContact O-N 2.81Å; M479-L528 HydrophobicContact CB-CD2 4.34Å; M479-L528 HydrophobicContact CG-CD2 4.44Å; M479-I530 HydrophobicContact CB-CD1 4.48Å; M479-I530 HydrophobicContact CE-CD1 3.77Å; M479-I530 HydrophobicContact CG-CD1 3.32Å; M479-I530 HydrophobicContact SD-CD1 4.4Å; M479-C543 HydrophobicContact CE-CB 4.24Å; M479-C543 HydrophobicContact SD-CB 3.87Å; M479-A544 HydrophobicContact CE-CB 4.08Å; M479-V547 HydrophobicContact CB-CB 4.44Å; M479-V547 HydrophobicContact CB-CG1 4.22Å; M479-V547 HydrophobicContact CB-CG2 3.98Å; M479-V547 HydrophobicContact SD-CG2 4.16Å; M479-V556 HydrophobicContact CE-CG1 4Å; M479-V556 HydrophobicContact CG-CG1 4.06Å; M479-V556 HydrophobicContact SD-CG1 4.09Å; M479-V558 HydrophobicContact CE-CG1 3.33Å |
| 480 | E | 95.3 | Very high | 94.4 | Very high | 35 Ų | 35 | 45 Ų | 45 | 16% | 0.164 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.9 | -45.1 | 179.7 | -68.7 | 166.9 | -178.6 | 0 | 0 | 111.4 | K458 R460 K476 D477 A482 V483 E484 V547 | K458-E480 WeakPolarHBondContact CD-OE2 3.46Å; K458-E480 IonicContact NZ-OE2 3.48Å; K458-E480 PolarHBondContact NZ-OE2 3.43Å; K458-E480 VanDerWaalsContact NZ-OE2 3.14Å; R460-E480 IonicContact CZ-OE1 3.71Å; R460-E480 IonicContact CZ-OE2 3.6Å; R460-E480 IonicContact NE-OE1 3.61Å; R460-E480 VanDerWaalsContact NH2-CD 3.34Å; R460-E480 IonicContact NH2-OE1 3.87Å; R460-E480 PolarHBondContact NH2-OE1 3.48Å; R460-E480 IonicContact NH2-OE2 2.83Å; R460-E480 PolarHBondContact NH2-OE2 3.47Å; K476-E480 WeakPolarHBondContact CE-OE1 3.33Å; K476-E480 WeakPolarHBondContact O-CG 2.98Å; K476-E480 PolarHBondContact O-N 3.47Å; D477-E480 PolarHBondContact O-N 3.2Å; E480-A482 VanDerWaalsContact C-N 3.33Å; E480-A482 PolarHBondContact O-N 3.45Å; E480-V483 PolarHBondContact O-N 3.33Å; E480-E484 WeakPolarHBondContact O-CB 3.24Å; E480-E484 VanDerWaalsContact O-CG 3.3Å; E480-E484 WeakPolarHBondContact O-CG 3.36Å; E480-E484 PolarHBondContact O-N 3.05Å; E480-V547 HydrophobicContact CG-CG2 4.03Å |
| 481 | D | 94.4 | Very high | 94.3 | Very high | 40 Ų | 40 | 48.2 Ų | 48.2 | 21% | 0.214 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -35 | 178.4 | -74.2 | -17 | 0 | 0 | 0 | 112.7 | K458 D477 V478 M479 N485 K486 L487 | K458-D481 WeakPolarHBondContact CE-OD1 3.27Å; K458-D481 IonicContact NZ-OD1 3.66Å; K458-D481 PolarHBondContact NZ-OD1 3.48Å; D477-D481 WeakPolarHBondContact O-CB 3.18Å; D477-D481 PolarHBondContact O-N 3.45Å; V478-D481 PolarHBondContact O-N 3.11Å; M479-D481 PolarHBondContact O-N 3Å; D481-N485 CarbonylContact O-C 3.53Å; D481-N485 PolarHBondContact O-N 3.41Å; D481-N485 VanDerWaalsContact O-N 3.13Å; D481-K486 HydrophobicContact CB-CB 4.43Å; D481-K486 PolarHBondContact O-N 3.09Å; D481-L487 HydrophobicContact CB-CB 4.3Å; D481-L487 HydrophobicContact CB-CD1 4.01Å; D481-L487 PolarHBondContact O-N 3.17Å |
| 482 | A | 93.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.8 | -45.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L231 V478 M479 E480 E484 N485 L487 L528 | L231-A482 HydrophobicContact CD1-CB 3.9Å; V478-A482 VanDerWaalsContact O-CB 3.23Å; V478-A482 WeakPolarHBondContact O-CB 3.23Å; V478-A482 PolarHBondContact O-N 3.44Å; M479-A482 PolarHBondContact O-N 3.5Å; E480-A482 VanDerWaalsContact C-N 3.33Å; E480-A482 PolarHBondContact O-N 3.45Å; A482-E484 VanDerWaalsContact C-N 3.32Å; A482-E484 PolarHBondContact O-N 2.64Å; A482-N485 PolarHBondContact O-N 2.96Å; A482-N485 VanDerWaalsContact O-N 3.15Å; A482-L487 HydrophobicContact CB-CD2 4.28Å; A482-L528 HydrophobicContact CB-CD1 4.04Å; A482-L528 HydrophobicContact CB-CD2 3.84Å |
| 483 | V | 91.5 | Very high | 94.3 | Very high | 30 Ų | 30 | 47.6 Ų | 47.6 | 18% | 0.182 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -35.2 | 179.2 | 175.6 | 0 | 0 | 0 | 0 | 111.8 | M479 E480 N485 L528 V547 V551 C554 | M479-V483 WeakPolarHBondContact O-CB 3.46Å; M479-V483 VanDerWaalsContact O-CG2 3.24Å; M479-V483 WeakPolarHBondContact O-CG2 3.43Å; M479-V483 PolarHBondContact O-N 2.81Å; E480-V483 PolarHBondContact O-N 3.33Å; V483-N485 VanDerWaalsContact C-N 3.28Å; V483-N485 PolarHBondContact O-N 3.22Å; V483-L528 HydrophobicContact CG2-CD2 3.89Å; V483-V547 HydrophobicContact CG2-CG1 4.46Å; V483-V551 HydrophobicContact CG1-CB 4.24Å; V483-V551 HydrophobicContact CG1-CG1 3.68Å; V483-V551 HydrophobicContact CG1-CG2 3.9Å; V483-C554 HydrophobicContact CG1-CB 3.94Å; V483-C554 HydrophobicContact CG2-CB 4.16Å |
| 484 | E | 90.3 | Very high | 94.2 | Very high | 97 Ų | 97 | 51 Ų | 51 | 45% | 0.453 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -1.4 | 175.5 | -68.3 | 177.5 | -160.9 | 0 | 0 | 113.8 | E480 A482 K486 | E480-E484 WeakPolarHBondContact O-CB 3.24Å; E480-E484 VanDerWaalsContact O-CG 3.3Å; E480-E484 WeakPolarHBondContact O-CG 3.36Å; E480-E484 PolarHBondContact O-N 3.05Å; A482-E484 VanDerWaalsContact C-N 3.32Å; A482-E484 PolarHBondContact O-N 2.64Å; E484-K486 HydrophobicContact CB-CD 4.1Å; E484-K486 HydrophobicContact CB-CG 4.08Å; E484-K486 PolarHBondContact O-N 3.42Å; E484-K486 WeakPolarHBondContact OE2-CD 3.3Å; E484-K486 VanDerWaalsContact OE2-CE 3.28Å; E484-K486 WeakPolarHBondContact OE2-CE 3.36Å; E484-K486 IonicContact OE2-NZ 3.44Å; E484-K486 PolarHBondContact OE2-NZ 3Å |
| 485 | N | 88.6 | Confident | 94.1 | Very high | 91 Ų | 91 | 52.7 Ų | 52.7 | 49% | 0.487 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 34.8 | -172.4 | -58.7 | -68.6 | 0 | 0 | 0 | 114 | D481 A482 V483 | D481-N485 CarbonylContact O-C 3.53Å; D481-N485 PolarHBondContact O-N 3.41Å; D481-N485 VanDerWaalsContact O-N 3.13Å; A482-N485 PolarHBondContact O-N 2.96Å; A482-N485 VanDerWaalsContact O-N 3.15Å; V483-N485 VanDerWaalsContact C-N 3.28Å; V483-N485 PolarHBondContact O-N 3.22Å |
| 486 | K | 91.7 | Very high | 94 | Very high | 140 Ų | 140 | 53.4 Ų | 53.4 | 61% | 0.609 | 26% | 0.262 | S | S | * | . | trans | -103.7 | -0.8 | 176.8 | -67 | 179.3 | -174.5 | 163.3 | 0 | 113.9 | D481 E484 D488 | D481-K486 HydrophobicContact CB-CB 4.43Å; D481-K486 PolarHBondContact O-N 3.09Å; E484-K486 HydrophobicContact CB-CD 4.1Å; E484-K486 HydrophobicContact CB-CG 4.08Å; E484-K486 PolarHBondContact O-N 3.42Å; E484-K486 WeakPolarHBondContact OE2-CD 3.3Å; E484-K486 VanDerWaalsContact OE2-CE 3.28Å; E484-K486 WeakPolarHBondContact OE2-CE 3.36Å; E484-K486 IonicContact OE2-NZ 3.44Å; E484-K486 PolarHBondContact OE2-NZ 3Å; K486-D488 PolarHBondContact O-N 3.35Å | ||
| 487 | L | 92 | Very high | 93.6 | Very high | 12 Ų | 12 | 59.6 Ų | 59.6 | 6% | 0.063 | 29% | 0.291 | C | S | . | . | trans | -68.3 | 116.6 | -177.9 | -165.6 | 72 | 0 | 0 | 0 | 111.8 | R189 L231 V478 D481 A482 S489 W492 | R189-L487 PolarHBondContact NH2-O 2.8Å; L231-L487 HydrophobicContact CD1-CD2 4.12Å; L231-L487 HydrophobicContact CD2-CD2 4.29Å; V478-L487 HydrophobicContact CG1-CD1 4.12Å; D481-L487 HydrophobicContact CB-CB 4.3Å; D481-L487 HydrophobicContact CB-CD1 4.01Å; D481-L487 PolarHBondContact O-N 3.17Å; A482-L487 HydrophobicContact CB-CD2 4.28Å; L487-S489 PolarHBondContact O-N 3.31Å; L487-W492 HydrophobicContact CD1-CD2 4.32Å; L487-W492 HydrophobicContact CD1-CG 4.01Å; L487-W492 HydrophobicContact CD2-CB 3.71Å; L487-W492 HydrophobicContact CD2-CD2 3.79Å; L487-W492 HydrophobicContact CD2-CE3 4.24Å; L487-W492 HydrophobicContact CD2-CG 3.55Å; L487-W492 HydrophobicContact CG-CB 3.88Å; L487-W492 HydrophobicContact CG-CD2 4.23Å; L487-W492 HydrophobicContact CG-CG 3.62Å | ||
| 488 | D | 91.9 | Very high | 93 | Very high | 81 Ų | 81 | 60.4 Ų | 60.4 | 43% | 0.433 | 30% | 0.298 | S | S | . | . | trans | -57.6 | 123.3 | -174.7 | -170.1 | -34.2 | 0 | 0 | 0 | 112.5 | K486 R490 D491 W492 | K486-D488 PolarHBondContact O-N 3.35Å; D488-R490 VanDerWaalsContact C-N 3.27Å; D488-R490 PolarHBondContact O-N 2.68Å; D488-R490 WeakPolarHBondContact OD1-CA 3.46Å; D488-R490 VanDerWaalsContact OD1-CB 3.22Å; D488-R490 WeakPolarHBondContact OD1-CB 3.27Å; D488-R490 WeakPolarHBondContact OD1-CG 3.33Å; D488-R490 PolarHBondContact OD1-N 3.44Å; D488-D491 PolarHBondContact O-N 3.27Å; D488-W492 WeakPolarHBondContact O-CA 3Å; D488-W492 WeakPolarHBondContact O-CB 3.4Å; D488-W492 PolarHBondContact O-N 3.18Å | ||
| 489 | S | 93.6 | Very high | 92.3 | Very high | 73 Ų | 73 | 63 Ų | 63 | 51% | 0.51 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.9 | 179.9 | -50.9 | 0 | 0 | 0 | 0 | 114.6 | L487 W492 P493 | L487-S489 PolarHBondContact O-N 3.31Å; S489-W492 CarbonylContact O-C 3.58Å; S489-P493 VanDerWaalsContact O-CA 3.26Å; S489-P493 WeakPolarHBondContact O-CA 3.48Å |
| 490 | R | 92.9 | Very high | 91.2 | Very high | 209 Ų | 209 | 67 Ų | 67 | 79% | 0.789 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -43 | 173.8 | -63.7 | -180 | 172.2 | -171.2 | -0.8 | 111.2 | D488 | D488-R490 VanDerWaalsContact C-N 3.27Å; D488-R490 PolarHBondContact O-N 2.68Å; D488-R490 WeakPolarHBondContact OD1-CA 3.46Å; D488-R490 VanDerWaalsContact OD1-CB 3.22Å; D488-R490 WeakPolarHBondContact OD1-CB 3.27Å; D488-R490 WeakPolarHBondContact OD1-CG 3.33Å; D488-R490 PolarHBondContact OD1-N 3.44Å |
| 491 | D | 92.3 | Very high | 89.7 | Confident | 82 Ų | 82 | 66.5 Ų | 66.5 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -26.9 | 179.3 | -77.6 | -29.7 | 0 | 0 | 0 | 112.7 | K191 K192 D488 | K191-D491 PolarHBondContact NZ-O 3.28Å; K191-D491 IonicContact NZ-OD1 2.88Å; K192-D491 PolarHBondContact N-O 2.83Å; D488-D491 PolarHBondContact O-N 3.27Å |
| 492 | W | 95.5 | Very high | 87.7 | Confident | 16 Ų | 16 | 72.2 Ų | 72.2 | 6% | 0.061 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -129.6 | 67.1 | -179.4 | -62.3 | 89 | 0 | 0 | 0 | 111.2 | R189 Y190 K191 L231 V233 V478 L487 D488 S489 | R189-W492 VanDerWaalsContact CZ-O 3.28Å; R189-W492 PolarHBondContact NE-O 2.96Å; R189-W492 PolarHBondContact NH2-O 3.03Å; Y190-W492 WeakPolarHBondContact O-CA 3.48Å; K191-W492 HydrophobicContact CB-CD2 4.35Å; K191-W492 HydrophobicContact CB-CE3 3.99Å; K191-W492 HydrophobicContact CB-CH2 3.74Å; K191-W492 HydrophobicContact CB-CZ2 4.11Å; K191-W492 HydrophobicContact CB-CZ3 3.66Å; K191-W492 HydrophobicContact CD-CD2 4.02Å; K191-W492 VanDerWaalsContact CD-CE2 3.48Å; K191-W492 HydrophobicContact CD-CH2 4.07Å; K191-W492 HydrophobicContact CD-CZ2 3.52Å; K191-W492 HydrophobicContact CG-CH2 4.37Å; K191-W492 HydrophobicContact CG-CZ2 4.3Å; L231-W492 HydrophobicContact CB-CZ3 4.33Å; V233-W492 HydrophobicContact CB-CH2 4.05Å; V233-W492 HydrophobicContact CB-CZ3 4.28Å; V233-W492 HydrophobicContact CG2-CH2 3.98Å; V478-W492 HydrophobicContact CB-CZ2 4.33Å; V478-W492 HydrophobicContact CG1-CH2 3.75Å; V478-W492 HydrophobicContact CG1-CZ2 3.62Å; V478-W492 HydrophobicContact CG1-CZ3 4.41Å; V478-W492 HydrophobicContact CG2-CH2 4.33Å; V478-W492 HydrophobicContact CG2-CZ2 3.66Å; L487-W492 HydrophobicContact CD1-CD2 4.32Å; L487-W492 HydrophobicContact CD1-CG 4.01Å; L487-W492 HydrophobicContact CD2-CB 3.71Å; L487-W492 HydrophobicContact CD2-CD2 3.79Å; L487-W492 HydrophobicContact CD2-CE3 4.24Å; L487-W492 HydrophobicContact CD2-CG 3.55Å; L487-W492 HydrophobicContact CG-CB 3.88Å; L487-W492 HydrophobicContact CG-CD2 4.23Å; L487-W492 HydrophobicContact CG-CG 3.62Å; D488-W492 WeakPolarHBondContact O-CA 3Å; D488-W492 WeakPolarHBondContact O-CB 3.4Å; D488-W492 PolarHBondContact O-N 3.18Å; S489-W492 CarbonylContact O-C 3.58Å |
| 493 | P | 96.6 | Very high | 85.6 | Confident | 24 Ų | 24 | 77.9 Ų | 77.9 | 16% | 0.156 | 40% | 0.399 | C | S | . | . | trans | -60 | 152.1 | 179.3 | 26.9 | -37.5 | 0 | 0 | 0 | 112.3 | R189 Y190 K192 S489 | R189-P493 WeakPolarHBondContact CA-O 2.99Å; Y190-P493 HydrophobicContact CD1-CG 4.39Å; Y190-P493 HydrophobicContact CD2-CG 4.14Å; Y190-P493 HydrophobicContact CE1-CB 4.45Å; Y190-P493 HydrophobicContact CE1-CG 3.84Å; Y190-P493 HydrophobicContact CE2-CG 3.54Å; Y190-P493 PolarHBondContact N-O 3.5Å; Y190-P493 WeakPolarHBondContact O-CD 3.41Å; K192-P493 HydrophobicContact CB-CG 4.19Å; S489-P493 VanDerWaalsContact O-CA 3.26Å; S489-P493 WeakPolarHBondContact O-CA 3.48Å | ||
| 494 | H | 95.1 | Very high | 83.7 | Confident | 73 Ų | 73 | 79.4 Ų | 79.4 | 34% | 0.338 | 42% | 0.42 | S | S | . | . | B | Isolated β-bridge | trans | -81.5 | 125.4 | 171.5 | -68.3 | -96.4 | 0 | 0 | 0 | 109.4 | R189 E497 | R189-H494 VanDerWaalsContact CD-CE1 3.49Å; R189-H494 WeakPolarHBondContact CD-CE1 3.27Å; H494-E497 HydrophobicContact CB-CG 4.4Å |
| 495 | Q | 96.5 | Very high | 81.4 | Confident | 57 Ų | 57 | 79.6 Ų | 79.6 | 27% | 0.266 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -74 | -39 | 157.8 | 178.8 | 58.8 | 28 | 0 | 0 | 109.4 | V188 Y190 A203 D207 | V188-Q495 HydrophobicContact CB-CB 4.12Å; V188-Q495 HydrophobicContact CG1-CB 4.23Å; V188-Q495 WeakPolarHBondContact O-CB 3.41Å; V188-Q495 PolarHBondContact O-N 3.15Å; Y190-Q495 HydrophobicContact CD1-CB 4.46Å; A203-Q495 HydrophobicContact CB-CB 4.28Å; D207-Q495 HydrophobicContact CB-CG 3.67Å |
| 496 | S | 94.1 | Very high | 78.9 | Confident | 16 Ų | 16 | 77.2 Ų | 77.2 | 11% | 0.112 | 43% | 0.429 | C | S | . | . | S | Bend | trans | -151.1 | 146.2 | 173.3 | 59.3 | 0 | 0 | 0 | 0 | 111.4 | G187 V188 D207 K225 | G187-S496 CarbonylContact C-O 3.51Å; G187-S496 WeakPolarHBondContact CA-O 3.15Å; V188-S496 PolarHBondContact N-O 3.45Å; V188-S496 PolarHBondContact N-OG 3.47Å; V188-S496 VanDerWaalsContact N-OG 3.13Å; V188-S496 PolarHBondContact O-N 2.83Å; V188-S496 VanDerWaalsContact O-N 3.16Å; D207-S496 VanDerWaalsContact CG-OG 3.29Å; D207-S496 WeakPolarHBondContact OD1-CB 3.37Å; D207-S496 PolarHBondContact OD1-OG 3.28Å; K225-S496 VanDerWaalsContact NZ-CB 3.25Å; K225-S496 PolarHBondContact NZ-OG 3.15Å |
| 497 | E | 89.7 | Confident | 76.3 | Confident | 151 Ų | 151 | 75.6 Ų | 75.6 | 71% | 0.706 | 44% | 0.442 | S | S | * | . | trans | -85 | 154.7 | 179.7 | -64.3 | -174.8 | 175.8 | 0 | 0 | 111.7 | K225 H494 | K225-E497 WeakPolarHBondContact CD-O 3.23Å; H494-E497 HydrophobicContact CB-CG 4.4Å | ||
| 498 | C | 85 | Confident | 73.8 | Confident | 29 Ų | 29 | 79.8 Ų | 79.8 | 20% | 0.196 | 47% | 0.468 | C | S | . | . | trans | -121.3 | 159.6 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 110 | T226 | T226-C498 WeakPolarHBondContact O-CB 3.41Š| ||
| 499 | P | 81.6 | Confident | 71.3 | Confident | 66 Ų | 66 | 79.7 Ų | 79.7 | 43% | 0.429 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 141.9 | 168.8 | -24 | 34.4 | 0 | 0 | 0 | 111.3 | K225 T226 Q227 A501 | K225-P499 WeakPolarHBondContact O-CD 3.39Å; K225-P499 WeakPolarHBondContact O-CG 3.37Å; T226-P499 WeakPolarHBondContact O-CD 3.31Å; Q227-P499 HydrophobicContact CG-CB 4.38Å; P499-A501 PolarHBondContact O-N 3.34Å |
| 500 | A | 73.3 | Confident | 68.7 | Low | 83 Ų | 83 | 81.4 Ų | 81.4 | 69% | 0.686 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 135.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q227 | Q227-A500 PolarHBondContact NE2-O 3.01Š|
| 501 | A | 63 | Low | 66.3 | Low | 25 Ų | 25 | 82.4 Ų | 82.4 | 21% | 0.207 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 136.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | P499 N503 | P499-A501 PolarHBondContact O-N 3.34Å; A501-N503 PolarHBondContact O-N 3.23Å; A501-N503 VanDerWaalsContact O-N 3.14Å |
| 502 | W | 53.1 | Low | 63.8 | Low | 160 Ų | 160 | 86.4 Ų | 86.4 | 61% | 0.606 | 51% | 0.512 | S | S | * | . | trans | -67.1 | 112.6 | -179.6 | -177.4 | -80.6 | 0 | 0 | 0 | 110.2 | G504 V508 | W502-G504 VanDerWaalsContact C-N 3.32Å; W502-G504 PolarHBondContact O-N 3Å; W502-V508 HydrophobicContact CH2-CG1 4.39Å; W502-V508 HydrophobicContact CH2-CG2 3.83Å | ||
| 503 | N | 50.4 | Low | 60.9 | Low | 121 Ų | 121 | 97 Ų | 97 | 65% | 0.647 | 55% | 0.552 | S | S | * | * | trans | -87.4 | 9.3 | -176.3 | 66.2 | 0.7 | 0 | 0 | 0 | 114.5 | A501 S505 | A501-N503 PolarHBondContact O-N 3.23Å; A501-N503 VanDerWaalsContact O-N 3.14Å; N503-S505 PolarHBondContact O-N 3.2Å; N503-S505 VanDerWaalsContact O-N 3.16Å; N503-S505 PolarHBondContact O-OG 3.17Å; N503-S505 PolarHBondContact OD1-N 3.16Å; N503-S505 PolarHBondContact OD1-OG 3.2Å | ||
| 504 | G | 49.8 | Very low | 58.1 | Low | 61 Ų | 61 | 103.2 Ų | 103.2 | 63% | 0.629 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 76.8 | -6.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | W502 | W502-G504 VanDerWaalsContact C-N 3.32Å; W502-G504 PolarHBondContact O-N 3Å |
| 505 | S | 41.8 | Very low | 55.2 | Low | 101 Ų | 101 | 108.6 Ų | 108.6 | 71% | 0.706 | 61% | 0.606 | S | S | * | * | trans | -131.3 | 42 | -169.7 | 48.7 | 0 | 0 | 0 | 0 | 113.7 | N503 | N503-S505 PolarHBondContact O-N 3.2Å; N503-S505 VanDerWaalsContact O-N 3.16Å; N503-S505 PolarHBondContact O-OG 3.17Å; N503-S505 PolarHBondContact OD1-N 3.16Å; N503-S505 PolarHBondContact OD1-OG 3.2Å | ||
| 506 | G | 37.8 | Very low | 52.2 | Low | 41 Ų | 41 | 111.8 Ų | 111.8 | 42% | 0.423 | 63% | 0.632 | S | S | . | * | trans | -129.3 | 130.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V508 | G506-V508 PolarHBondContact O-N 3Š| ||
| 507 | A | 36.6 | Very low | 49.4 | Very low | 107 Ų | 107 | 113.4 Ų | 113.4 | 88% | 0.884 | 64% | 0.643 | S | S | * | * | trans | -60.2 | 125.1 | 169 | 0 | 0 | 0 | 0 | 0 | 109.7 | S509 | A507-S509 PolarHBondContact O-N 3.35Å; A507-S509 VanDerWaalsContact O-N 3.09Å | ||
| 508 | V | 40 | Very low | 46.8 | Very low | 100 Ų | 100 | 110.4 Ų | 110.4 | 61% | 0.606 | 64% | 0.636 | S | S | * | * | trans | -64.6 | 112.6 | 177.2 | -154.2 | 0 | 0 | 0 | 0 | 107.6 | W502 G506 A510 | W502-V508 HydrophobicContact CH2-CG1 4.39Å; W502-V508 HydrophobicContact CH2-CG2 3.83Å; G506-V508 PolarHBondContact O-N 3Å; V508-A510 PolarHBondContact O-N 3.25Å; V508-A510 VanDerWaalsContact O-N 3.14Å | ||
| 509 | S | 38.8 | Very low | 44.3 | Very low | 79 Ų | 79 | 116.8 Ų | 116.8 | 55% | 0.552 | 66% | 0.662 | S | S | * | * | trans | -58.3 | 121.3 | 171.5 | 176 | 0 | 0 | 0 | 0 | 108.6 | A507 R511 Q512 | A507-S509 PolarHBondContact O-N 3.35Å; A507-S509 VanDerWaalsContact O-N 3.09Å; S509-R511 PolarHBondContact O-N 3.37Å; S509-Q512 PolarHBondContact O-N 3.3Å | ||
| 510 | A | 38.4 | Very low | 42.2 | Very low | 109 Ų | 109 | 119.6 Ų | 119.6 | 90% | 0.901 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 2.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V508 | V508-A510 PolarHBondContact O-N 3.25Å; V508-A510 VanDerWaalsContact O-N 3.14Å |
| 511 | R | 42.9 | Very low | 40.6 | Very low | 230 Ų | 230 | 120.9 Ų | 120.9 | 87% | 0.868 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -11.7 | 177.3 | -69.6 | -176.6 | -177.8 | -180 | 1.3 | 114.5 | S509 R513 | S509-R511 PolarHBondContact O-N 3.37Å; R511-R513 PolarHBondContact O-N 3.31Å; R511-R513 VanDerWaalsContact O-N 3.14Å |
| 512 | Q | 39 | Very low | 39.4 | Very low | 165 Ų | 165 | 129.4 Ų | 129.4 | 77% | 0.771 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -85.2 | 86.2 | 171.3 | -85.3 | -177.2 | -27.9 | 0 | 0 | 110.4 | S509 N514 | S509-Q512 PolarHBondContact O-N 3.3Å; Q512-N514 PolarHBondContact O-N 3.5Å |
| 513 | R | 34.8 | Very low | 38.9 | Very low | 239 Ų | 239 | 130.8 Ų | 130.8 | 90% | 0.902 | 70% | 0.701 | S | S | * | * | trans | -67.2 | 117.3 | -179.9 | -141.3 | 176.4 | 177.3 | -172.6 | -1.9 | 110.4 | R511 K515 | R511-R513 PolarHBondContact O-N 3.31Å; R511-R513 VanDerWaalsContact O-N 3.14Å; R513-K515 PolarHBondContact O-N 3.05Å | ||
| 514 | N | 38.3 | Very low | 39 | Very low | 155 Ų | 155 | 128 Ų | 128 | 83% | 0.829 | 69% | 0.688 | S | S | * | * | trans | -1.4 | 106.5 | 165.5 | -68.5 | -16 | 0 | 0 | 0 | 117.9 | Q512 | Q512-N514 PolarHBondContact O-N 3.5Š| ||
| 515 | K | 33.8 | Very low | 39.8 | Very low | 185 Ų | 185 | 126.9 Ų | 126.9 | 80% | 0.804 | 68% | 0.677 | S | S | * | * | trans | -96.2 | 131.7 | 139.7 | -86.3 | 179.7 | 179 | 171.3 | 0 | 107.7 | R513 S517 | R513-K515 PolarHBondContact O-N 3.05Å; K515-S517 VanDerWaalsContact C-N 3.31Å; K515-S517 PolarHBondContact O-N 3.04Å | ||
| 516 | P | 33.2 | Very low | 41.9 | Very low | 125 Ų | 125 | 123.2 Ų | 123.2 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | trans | -70.6 | 93.7 | 169.6 | 29.5 | -29.1 | 0 | 0 | 0 | 107 | T518 | P516-T518 PolarHBondContact O-N 3.09Š| ||
| 517 | S | 35.8 | Very low | 44.5 | Very low | 49 Ų | 49 | 122.1 Ų | 122.1 | 34% | 0.343 | 63% | 0.634 | S | S | . | * | trans | -63.9 | 126 | 169.1 | 117.5 | 0 | 0 | 0 | 0 | 106.8 | K515 R522 | K515-S517 VanDerWaalsContact C-N 3.31Å; K515-S517 PolarHBondContact O-N 3.04Å; S517-R522 PolarHBondContact OG-NE 2.92Å | ||
| 518 | T | 34.8 | Very low | 47.4 | Very low | 89 Ų | 89 | 117.2 Ų | 117.2 | 55% | 0.546 | 59% | 0.593 | S | S | . | * | trans | -59.1 | 150.3 | 170.9 | 47.4 | 0 | 0 | 0 | 0 | 108.3 | P516 D520 D521 | P516-T518 PolarHBondContact O-N 3.09Å; T518-D520 PolarHBondContact O-N 3.02Å; T518-D521 PolarHBondContact O-N 3.27Å; T518-D521 VanDerWaalsContact O-N 3.08Å | ||
| 519 | Q | 33.7 | Very low | 50.2 | Low | 163 Ų | 163 | 112.4 Ų | 112.4 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -16.8 | -177.6 | -133.4 | 176.4 | 4.8 | 0 | 0 | 113.2 | ||
| 520 | D | 36.3 | Very low | 53 | Low | 124 Ų | 124 | 108.7 Ų | 108.7 | 66% | 0.663 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -37.1 | 176 | -113.8 | -4.6 | 0 | 0 | 0 | 113.1 | T518 R522 R523 | T518-D520 PolarHBondContact O-N 3.02Å; D520-R522 PolarHBondContact O-N 3.39Å; D520-R522 VanDerWaalsContact O-N 3.15Å; D520-R523 PolarHBondContact O-N 3.36Å |
| 521 | D | 39.7 | Very low | 55.9 | Low | 110 Ų | 110 | 103.5 Ų | 103.5 | 59% | 0.588 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.6 | -180 | -76.9 | -19.6 | 0 | 0 | 0 | 113.1 | T518 | T518-D521 PolarHBondContact O-N 3.27Å; T518-D521 VanDerWaalsContact O-N 3.08Å |
| 522 | R | 38.4 | Very low | 58.5 | Low | 205 Ų | 205 | 92.6 Ų | 92.6 | 77% | 0.774 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -5.6 | 179.8 | -71.5 | -179.1 | 176.8 | -174.1 | -4.4 | 113.9 | S517 D520 | S517-R522 PolarHBondContact OG-NE 2.92Å; D520-R522 PolarHBondContact O-N 3.39Å; D520-R522 VanDerWaalsContact O-N 3.15Å |
| 523 | R | 42.4 | Very low | 61.4 | Low | 189 Ų | 189 | 84.7 Ų | 84.7 | 71% | 0.713 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | -20.6 | -172.2 | -79.7 | -176.4 | 173.2 | -178.2 | -0.7 | 114.9 | D520 | D520-R523 PolarHBondContact O-N 3.36Š|
| 524 | T | 53.1 | Low | 64.2 | Low | 62 Ų | 62 | 73.3 Ų | 73.3 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -91.5 | 113.7 | 170.5 | 45.3 | 0 | 0 | 0 | 0 | 109 | ||
| 525 | G | 65.4 | Low | 67 | Low | 37 Ų | 37 | 66 Ų | 66 | 38% | 0.381 | 34% | 0.335 | S | S | . | . | trans | -59 | 173.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | S553 | G525-S553 CarbonylContact C-O 3.47Å; G525-S553 WeakPolarHBondContact CA-O 3.46Å | ||
| 526 | S | 86.4 | Confident | 70 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.8 | 152.2 | 171.2 | 177.8 | 0 | 0 | 0 | 0 | 110.3 | Q227 S553 C554 E555 | Q227-S526 PolarHBondContact O-OG 2.89Å; S526-S553 PolarHBondContact N-O 3.45Å; S526-C554 CarbonylContact O-C 3.29Å; S526-C554 WeakPolarHBondContact O-CA 3.42Å; S526-C554 PolarHBondContact O-SG 3.09Å; S526-C554 VanDerWaalsContact O-SG 3.37Å; S526-E555 PolarHBondContact O-N 2.89Å |
| 527 | R | 92.8 | Very high | 73.2 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 6% | 0.064 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.5 | 175.2 | -66 | -167.6 | 178.3 | 123.7 | -13.3 | 112.1 | L182 E184 A228 Q229 E555 | L182-R527 PolarHBondContact O-NH1 3.1Å; E184-R527 IonicContact OE1-CZ 3.23Å; E184-R527 IonicContact OE1-NE 2.72Å; E184-R527 IonicContact OE1-NH1 2.59Å; E184-R527 PolarHBondContact OE1-NH1 3.36Å; A228-R527 WeakPolarHBondContact CA-O 3.11Å; A228-R527 HydrophobicContact CB-CB 4.16Å; A228-R527 WeakPolarHBondContact CB-O 3.49Å; Q229-R527 PolarHBondContact N-O 3.25Å; R527-E555 CarbonylContact C-O 3.59Å; R527-E555 WeakPolarHBondContact CA-O 3.47Å; R527-E555 HydrophobicContact CG-CB 4.39Å; R527-E555 IonicContact CZ-OE2 3.66Å; R527-E555 IonicContact NE-OE2 3.74Å; R527-E555 PolarHBondContact NE-OE2 3Å; R527-E555 IonicContact NH2-OE2 2.62Å |
| 528 | L | 96.8 | Very high | 76.1 | Confident | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 110 | 168.3 | 177.2 | 62.8 | 0 | 0 | 0 | 108.3 | Q229 L231 M479 A482 V483 I530 E555 V556 I557 | Q229-L528 HydrophobicContact CB-CD1 3.95Å; L231-L528 HydrophobicContact CD1-CD1 3.92Å; L231-L528 HydrophobicContact CG-CD1 3.86Å; M479-L528 HydrophobicContact CB-CD2 4.34Å; M479-L528 HydrophobicContact CG-CD2 4.44Å; A482-L528 HydrophobicContact CB-CD1 4.04Å; A482-L528 HydrophobicContact CB-CD2 3.84Å; V483-L528 HydrophobicContact CG2-CD2 3.89Å; L528-I530 HydrophobicContact CD2-CD1 4.11Å; L528-I530 HydrophobicContact CG-CD1 4.26Å; L528-I530 HydrophobicContact CG-CG1 4.16Å; L528-E555 PolarHBondContact N-O 2.96Å; L528-V556 HydrophobicContact CB-CG2 4.36Å; L528-V556 HydrophobicContact CD2-CG1 4.42Å; L528-V556 HydrophobicContact CD2-CG2 4.33Å; L528-V556 CarbonylContact O-C 3.59Å; L528-V556 WeakPolarHBondContact O-CA 3.44Å; L528-I557 PolarHBondContact O-N 3.19Å |
| 529 | I | 98.5 | Very high | 79.2 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 130.6 | 176.6 | -51.4 | 171.3 | 0 | 0 | 0 | 107.8 | F145 L178 L182 Q229 L230 L231 I557 | F145-I529 HydrophobicContact CE1-CG2 4.21Å; L178-I529 HydrophobicContact CD2-CG2 3.97Å; L182-I529 HydrophobicContact CD1-CD1 3.89Å; L182-I529 HydrophobicContact CD1-CG1 4.43Å; Q229-I529 PolarHBondContact O-N 3Å; L230-I529 CarbonylContact C-O 3.52Å; L230-I529 VanDerWaalsContact CA-O 3.3Å; L230-I529 WeakPolarHBondContact CA-O 3.46Å; L230-I529 HydrophobicContact CD1-CB 3.83Å; L230-I529 HydrophobicContact CD1-CG2 3.58Å; L231-I529 PolarHBondContact N-O 2.9Å; I529-I557 CarbonylContact C-O 3.56Å; I529-I557 WeakPolarHBondContact CA-O 3.46Å |
| 530 | I | 98.7 | Very high | 82.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.1 | 177.1 | -63.7 | 170.4 | 0 | 0 | 0 | 108.7 | L231 I475 M479 L528 V532 V556 I557 V558 G559 | L231-I530 HydrophobicContact CB-CG1 4.18Å; L231-I530 HydrophobicContact CD1-CG1 4.23Å; L231-I530 HydrophobicContact CG-CG1 4.38Å; L231-I530 CarbonylContact O-C 3.6Å; L231-I530 WeakPolarHBondContact O-CA 3.39Å; I475-I530 HydrophobicContact CD1-CD1 4.45Å; I475-I530 HydrophobicContact CD1-CG2 3.89Å; I475-I530 HydrophobicContact CG1-CD1 4.29Å; I475-I530 HydrophobicContact CG1-CG2 4.28Å; M479-I530 HydrophobicContact CB-CD1 4.48Å; M479-I530 HydrophobicContact CE-CD1 3.77Å; M479-I530 HydrophobicContact CG-CD1 3.32Å; M479-I530 HydrophobicContact SD-CD1 4.4Å; L528-I530 HydrophobicContact CD2-CD1 4.11Å; L528-I530 HydrophobicContact CG-CD1 4.26Å; L528-I530 HydrophobicContact CG-CG1 4.16Å; I530-V532 HydrophobicContact CG2-CG2 4.41Å; I530-V556 HydrophobicContact CD1-CG1 4.24Å; I530-I557 PolarHBondContact N-O 2.88Å; I530-V558 HydrophobicContact CB-CG1 4.15Å; I530-V558 HydrophobicContact CD1-CG1 4.49Å; I530-V558 CarbonylContact O-C 3.57Å; I530-V558 WeakPolarHBondContact O-CA 3.2Å; I530-G559 PolarHBondContact O-N 2.94Å |
| 531 | F | 98.8 | Very high | 85.2 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 119.2 | 174.3 | -173.4 | -101.1 | 0 | 0 | 0 | 111.2 | F145 L171 L175 L202 L231 I232 V233 I533 G559 S560 | F145-F531 AromaticContact CE2-CD2 3.82Å; F145-F531 HydrophobicContact CE2-CD2 3.82Å; F145-F531 HydrophobicContact CE2-CE2 4.16Å; F145-F531 AromaticContact CZ-CD2 3.82Å; F145-F531 HydrophobicContact CZ-CD2 3.82Å; L171-F531 HydrophobicContact CD1-CE1 4.26Å; L171-F531 HydrophobicContact CD1-CZ 4.2Å; L171-F531 HydrophobicContact CD2-CZ 4.15Å; L175-F531 HydrophobicContact CD1-CB 4.27Å; L175-F531 HydrophobicContact CD1-CD1 3.94Å; L175-F531 HydrophobicContact CD1-CD2 4.3Å; L175-F531 HydrophobicContact CD1-CE1 4.33Å; L175-F531 HydrophobicContact CD1-CG 3.91Å; L175-F531 HydrophobicContact CD2-CB 4.04Å; L175-F531 HydrophobicContact CD2-CD2 3.6Å; L175-F531 HydrophobicContact CD2-CE2 4.16Å; L175-F531 HydrophobicContact CD2-CG 3.86Å; L175-F531 HydrophobicContact CG-CD2 4.29Å; L175-F531 HydrophobicContact CG-CG 4.38Å; L202-F531 HydrophobicContact CD2-CD1 3.72Å; L202-F531 HydrophobicContact CD2-CE1 3.64Å; L231-F531 PolarHBondContact O-N 3.3Å; I232-F531 WeakPolarHBondContact CA-O 3.34Å; I232-F531 HydrophobicContact CG1-CB 4.45Å; V233-F531 PolarHBondContact N-O 3.48Å; F531-I533 HydrophobicContact CD1-CG1 4.12Å; F531-I533 HydrophobicContact CE1-CG1 3.96Å; F531-G559 WeakPolarHBondContact CA-O 3.33Å; F531-S560 VanDerWaalsContact CE2-CA 3.42Å |
| 532 | V | 98.6 | Very high | 88 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.006 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118 | 175 | -170.7 | 0 | 0 | 0 | 0 | 109.5 | V233 F237 I530 G534 G535 I536 G559 S560 | V233-V532 HydrophobicContact CG1-CB 4.21Å; V233-V532 HydrophobicContact CG1-CG1 4.21Å; V233-V532 HydrophobicContact CG1-CG2 3.77Å; V233-V532 CarbonylContact O-C 3.41Å; V233-V532 WeakPolarHBondContact O-CA 3.35Å; F237-V532 HydrophobicContact CE1-CG1 4.2Å; I530-V532 HydrophobicContact CG2-CG2 4.41Å; V532-G534 PolarHBondContact O-N 3.15Å; V532-G535 WeakPolarHBondContact CG1-O 3.31Å; V532-I536 HydrophobicContact CG2-CD1 4.49Å; V532-G559 PolarHBondContact N-O 3.09Å; V532-S560 WeakPolarHBondContact O-CA 3.35Å; V532-S560 VanDerWaalsContact O-CB 3.26Å; V532-S560 WeakPolarHBondContact O-CB 3.5Å; V532-S560 PolarHBondContact O-OG 3.07Å; V532-S560 VanDerWaalsContact O-OG 3.1Å |
| 533 | I | 98.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 118.9 | 175.3 | -59.1 | 171.8 | 0 | 0 | 0 | 108.3 | I156 Y157 N198 A199 L202 I232 V233 E234 R235 F531 | I156-I533 HydrophobicContact CD1-CG2 3.76Å; I156-I533 HydrophobicContact CG2-CG2 4.09Å; Y157-I533 HydrophobicContact CE2-CG2 4.4Å; Y157-I533 PolarHBondContact OH-O 3.28Å; N198-I533 HydrophobicContact CB-CD1 4.23Å; A199-I533 HydrophobicContact CB-CD1 4.31Å; L202-I533 HydrophobicContact CB-CD1 4.21Å; L202-I533 HydrophobicContact CD2-CD1 3.71Å; L202-I533 HydrophobicContact CD2-CG1 3.75Å; I232-I533 HydrophobicContact CG2-CD1 3.95Å; I232-I533 HydrophobicContact CG2-CG1 4.29Å; V233-I533 PolarHBondContact O-N 3.41Å; E234-I533 HydrophobicContact CG-CD1 4.31Å; R235-I533 WeakPolarHBondContact CB-O 3.35Å; R235-I533 PolarHBondContact N-O 2.66Å; R235-I533 VanDerWaalsContact N-O 3.13Å; F531-I533 HydrophobicContact CD1-CG1 4.12Å; F531-I533 HydrophobicContact CE1-CG1 3.96Å |
| 534 | G | 93.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 94.9 | 24.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | F153 V532 | F153-G534 VanDerWaalsContact CD2-O 3.24Å; F153-G534 WeakPolarHBondContact CD2-O 3.21Å; V532-G534 PolarHBondContact O-N 3.15Å |
| 535 | G | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 7.9 Ų | 7.9 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | 115.9 | 141 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | R235 V532 S560 H562 L564 | R235-G535 WeakPolarHBondContact CD-O 3.25Å; R235-G535 PolarHBondContact NH1-O 2.94Å; V532-G535 WeakPolarHBondContact CG1-O 3.31Å; G535-S560 WeakPolarHBondContact CA-OG 3.4Å; G535-S560 PolarHBondContact N-OG 3.15Å; G535-H562 WeakPolarHBondContact CA-O 3.22Å; G535-L564 VanDerWaalsContact C-CD1 3.48Å; G535-L564 VanDerWaalsContact CA-CG 3.48Å | ||
| 536 | I | 98.4 | Very high | 97.1 | Very high | 3 Ų | 3 | 9 Ų | 9 | 2% | 0.015 | 4% | 0.043 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 141.8 | 171.4 | -167.9 | 170.9 | 0 | 0 | 0 | 109.7 | V532 E540 M541 V558 S560 H562 I563 L564 | V532-I536 HydrophobicContact CG2-CD1 4.49Å; I536-E540 HydrophobicContact CD1-CB 4.17Å; I536-E540 HydrophobicContact CG1-CB 3.69Å; I536-E540 WeakPolarHBondContact CG1-OE2 3.49Å; I536-M541 HydrophobicContact CD1-CG 4.26Å; I536-M541 HydrophobicContact CG1-CG 4.36Å; I536-M541 HydrophobicContact CG2-CG 4.3Å; I536-M541 HydrophobicContact CG2-SD 4.5Å; I536-V558 HydrophobicContact CD1-CB 3.58Å; I536-V558 HydrophobicContact CD1-CG1 4.35Å; I536-V558 HydrophobicContact CD1-CG2 3.68Å; I536-S560 PolarHBondContact N-OG 3.2Å; I536-H562 PolarHBondContact N-O 3.02Å; I536-I563 HydrophobicContact CG2-CG1 4.41Å; I536-I563 CarbonylContact O-C 3.54Å; I536-I563 WeakPolarHBondContact O-CA 3.44Å; I536-L564 PolarHBondContact O-N 3.02Å |
| 537 | T | 98.5 | Very high | 97.5 | Very high | 8 Ų | 8 | 8 Ų | 8 | 5% | 0.049 | 4% | 0.036 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 160.9 | -179.4 | 76.7 | 0 | 0 | 0 | 0 | 111.5 | P242 S539 E540 M541 L564 | P242-T537 VanDerWaalsContact CA-CG2 3.42Å; P242-T537 HydrophobicContact CB-CG2 3.63Å; P242-T537 HydrophobicContact CG-CG2 3.72Å; T537-S539 VanDerWaalsContact C-N 3.25Å; T537-S539 PolarHBondContact O-N 3.4Å; T537-S539 PolarHBondContact OG1-N 3.43Å; T537-S539 PolarHBondContact OG1-OG 2.93Å; T537-E540 PolarHBondContact N-OE2 3.37Å; T537-E540 PolarHBondContact O-N 3.35Å; T537-E540 VanDerWaalsContact OG1-CG 3.3Å; T537-E540 WeakPolarHBondContact OG1-CG 3.43Å; T537-E540 PolarHBondContact OG1-N 2.88Å; T537-M541 VanDerWaalsContact O-CG 3.3Å; T537-M541 WeakPolarHBondContact O-CG 3.5Å; T537-M541 PolarHBondContact O-N 3.39Å; T537-L564 HydrophobicContact CG2-CB 4.43Å; T537-L564 HydrophobicContact CG2-CD1 4.42Å |
| 538 | Y | 98.6 | Very high | 97.6 | Very high | 22 Ų | 22 | 8.3 Ų | 8.3 | 9% | 0.086 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -62.1 | -30.1 | 172.3 | -69.1 | -72.9 | 0 | 0 | 0 | 113.6 | Q250 Y254 M541 R542 I563 T565 | Q250-Y538 VanDerWaalsContact CD-CD1 3.46Å; Q250-Y538 HydrophobicContact CG-CD1 3.49Å; Q250-Y538 VanDerWaalsContact CG-CD1 3.49Å; Q250-Y538 HydrophobicContact CG-CE1 3.95Å; Q250-Y538 HydrophobicContact CG-CG 4.07Å; Y254-Y538 HydrophobicContact CD1-CE1 4.47Å; Y254-Y538 AromaticContact CD1-CE2 3.69Å; Y254-Y538 HydrophobicContact CD1-CE2 3.69Å; Y254-Y538 AromaticContact CD1-CZ 3.49Å; Y254-Y538 VanDerWaalsContact CD1-CZ 3.49Å; Y254-Y538 WeakPolarHBondContact CD1-OH 3.36Å; Y254-Y538 HydrophobicContact CD2-CE1 4.33Å; Y254-Y538 HydrophobicContact CD2-CE2 4.21Å; Y254-Y538 AromaticContact CD2-CZ 4Å; Y254-Y538 HydrophobicContact CE1-CE2 4.44Å; Y254-Y538 AromaticContact CE1-CZ 3.78Å; Y254-Y538 WeakPolarHBondContact CE1-OH 3.47Å; Y254-Y538 HydrophobicContact CE2-CE1 4.4Å; Y254-Y538 HydrophobicContact CG-CD2 4.25Å; Y254-Y538 HydrophobicContact CG-CE1 4.34Å; Y254-Y538 AromaticContact CG-CE2 3.51Å; Y254-Y538 HydrophobicContact CG-CE2 3.51Å; Y254-Y538 AromaticContact CG-CZ 3.56Å; Y538-M541 HydrophobicContact CD1-CE 3.78Å; Y538-M541 HydrophobicContact CD1-SD 3.74Å; Y538-M541 HydrophobicContact CE1-CE 3.98Å; Y538-M541 HydrophobicContact CE1-SD 4.13Å; Y538-M541 HydrophobicContact CG-SD 4.4Å; Y538-R542 PolarHBondContact O-N 3.31Å; Y538-I563 HydrophobicContact CD1-CG2 4.34Å; Y538-I563 HydrophobicContact CD2-CG2 4.28Å; Y538-I563 HydrophobicContact CE1-CG2 3.84Å; Y538-I563 HydrophobicContact CE2-CG2 3.75Å; Y538-T565 HydrophobicContact CE2-CG2 4.23Å |
| 539 | S | 98.3 | Very high | 97.4 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.021 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -72.5 | -34.8 | 175.2 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | E246 T537 R542 C543 | E246-S539 WeakPolarHBondContact OE1-CB 3.21Å; E246-S539 PolarHBondContact OE1-OG 3.38Å; T537-S539 VanDerWaalsContact C-N 3.25Å; T537-S539 PolarHBondContact O-N 3.4Å; T537-S539 PolarHBondContact OG1-N 3.43Å; T537-S539 PolarHBondContact OG1-OG 2.93Å; S539-R542 WeakPolarHBondContact O-CB 3.06Å; S539-R542 PolarHBondContact O-N 2.87Å; S539-C543 PolarHBondContact O-N 3.24Å; S539-C543 PolarHBondContact O-SG 3.2Å |
| 540 | E | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.5 | -38.3 | 171.8 | -69.8 | 174.3 | 140.6 | 0 | 0 | 111.8 | R235 P473 I475 I536 T537 R542 C543 | R235-E540 IonicContact CZ-OE1 3.47Å; R235-E540 IonicContact CZ-OE2 3.99Å; R235-E540 VanDerWaalsContact NH1-CD 3.35Å; R235-E540 IonicContact NH1-OE1 3.9Å; R235-E540 PolarHBondContact NH1-OE1 3.3Å; R235-E540 IonicContact NH1-OE2 3.74Å; R235-E540 PolarHBondContact NH1-OE2 3.28Å; R235-E540 IonicContact NH2-OE1 3.73Å; R235-E540 PolarHBondContact NH2-OE1 3.32Å; R235-E540 IonicContact NH2-OE2 3.34Å; P473-E540 HydrophobicContact CB-CG 4.01Å; I475-E540 HydrophobicContact CG2-CB 3.95Å; I475-E540 HydrophobicContact CG2-CG 3.85Å; I536-E540 HydrophobicContact CD1-CB 4.17Å; I536-E540 HydrophobicContact CG1-CB 3.69Å; I536-E540 WeakPolarHBondContact CG1-OE2 3.49Å; T537-E540 PolarHBondContact N-OE2 3.37Å; T537-E540 PolarHBondContact O-N 3.35Å; T537-E540 VanDerWaalsContact OG1-CG 3.3Å; T537-E540 WeakPolarHBondContact OG1-CG 3.43Å; T537-E540 PolarHBondContact OG1-N 2.88Å; E540-R542 VanDerWaalsContact C-N 3.32Å; E540-R542 PolarHBondContact O-N 3.16Å; E540-C543 WeakPolarHBondContact O-CB 3.09Å; E540-C543 PolarHBondContact O-N 3.38Å |
| 541 | M | 98.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -56.8 | -46.6 | 171.6 | -71.2 | 164 | 56.2 | 0 | 0 | 111.1 | E141 V144 I536 T537 Y538 C543 A544 Y545 V558 I563 | E141-M541 HydrophobicContact CG-CE 4.17Å; V144-M541 HydrophobicContact CB-CE 4.21Å; V144-M541 HydrophobicContact CG1-CE 3.93Å; V144-M541 HydrophobicContact CG1-CG 3.92Å; V144-M541 HydrophobicContact CG1-SD 4.09Å; V144-M541 HydrophobicContact CG2-CB 4.02Å; V144-M541 HydrophobicContact CG2-CE 3.86Å; V144-M541 HydrophobicContact CG2-CG 3.86Å; I536-M541 HydrophobicContact CD1-CG 4.26Å; I536-M541 HydrophobicContact CG1-CG 4.36Å; I536-M541 HydrophobicContact CG2-CG 4.3Å; I536-M541 HydrophobicContact CG2-SD 4.5Å; T537-M541 VanDerWaalsContact O-CG 3.3Å; T537-M541 WeakPolarHBondContact O-CG 3.5Å; T537-M541 PolarHBondContact O-N 3.39Å; Y538-M541 HydrophobicContact CD1-CE 3.78Å; Y538-M541 HydrophobicContact CD1-SD 3.74Å; Y538-M541 HydrophobicContact CE1-CE 3.98Å; Y538-M541 HydrophobicContact CE1-SD 4.13Å; Y538-M541 HydrophobicContact CG-SD 4.4Å; M541-C543 VanDerWaalsContact C-N 3.26Å; M541-C543 PolarHBondContact O-N 2.72Å; M541-A544 WeakPolarHBondContact O-CB 3.41Å; M541-A544 PolarHBondContact O-N 3.35Å; M541-A544 VanDerWaalsContact O-N 3.13Å; M541-Y545 VanDerWaalsContact O-CD2 3.29Å; M541-Y545 WeakPolarHBondContact O-CD2 3.43Å; M541-V558 HydrophobicContact CG-CG2 4.47Å; M541-I563 HydrophobicContact CE-CD1 4.23Å; M541-I563 HydrophobicContact SD-CD1 4.12Å; M541-I563 HydrophobicContact SD-CG1 4.26Å; M541-I563 HydrophobicContact SD-CG2 3.9Å |
| 542 | R | 98.4 | Very high | 95.8 | Very high | 19 Ų | 19 | 30.1 Ų | 30.1 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -53.8 | -41.8 | 176 | -176.3 | -175.6 | 73.1 | -129.1 | -1.8 | 112.4 | E246 T248 H290 Y538 S539 E540 A544 Y545 E546 | E246-R542 IonicContact OE2-CZ 3.84Å; E246-R542 IonicContact OE2-NH1 3.69Å; E246-R542 PolarHBondContact OE2-NH1 3.22Å; E246-R542 IonicContact OE2-NH2 2.97Å; T248-R542 PolarHBondContact OG1-NH1 2.98Å; H290-R542 HydrophobicContact CB-CG 3.93Å; Y538-R542 PolarHBondContact O-N 3.31Å; S539-R542 WeakPolarHBondContact O-CB 3.06Å; S539-R542 PolarHBondContact O-N 2.87Å; E540-R542 VanDerWaalsContact C-N 3.32Å; E540-R542 PolarHBondContact O-N 3.16Å; R542-A544 PolarHBondContact O-N 3.34Å; R542-Y545 PolarHBondContact O-N 3.13Å; R542-Y545 VanDerWaalsContact O-N 3.1Å; R542-E546 VanDerWaalsContact CD-OE1 3.23Å; R542-E546 WeakPolarHBondContact CD-OE1 3.23Å; R542-E546 HydrophobicContact CG-CG 4.25Å; R542-E546 VanDerWaalsContact CG-OE1 3.3Å; R542-E546 WeakPolarHBondContact CG-OE1 3.49Å; R542-E546 IonicContact NE-OE1 3.74Å; R542-E546 PolarHBondContact NE-OE1 3.49Å; R542-E546 PolarHBondContact O-N 3.31Å |
| 543 | C | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -35.7 | -179.2 | -62.8 | 0 | 0 | 0 | 0 | 112.4 | I475 K476 M479 S539 E540 M541 Y545 E546 V547 | I475-C543 HydrophobicContact CG2-CB 4.24Å; K476-C543 HydrophobicContact CB-CB 3.97Å; K476-C543 HydrophobicContact CG-CB 4.2Å; M479-C543 HydrophobicContact CE-CB 4.24Å; M479-C543 HydrophobicContact SD-CB 3.87Å; S539-C543 PolarHBondContact O-N 3.24Å; S539-C543 PolarHBondContact O-SG 3.2Å; E540-C543 WeakPolarHBondContact O-CB 3.09Å; E540-C543 PolarHBondContact O-N 3.38Å; M541-C543 VanDerWaalsContact C-N 3.26Å; M541-C543 PolarHBondContact O-N 2.72Å; C543-Y545 VanDerWaalsContact C-N 3.35Å; C543-Y545 PolarHBondContact O-N 2.76Å; C543-E546 PolarHBondContact O-N 3.19Å; C543-V547 WeakPolarHBondContact O-CG2 3.16Å; C543-V547 PolarHBondContact O-N 2.93Å |
| 544 | A | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M479 M541 R542 T548 V556 V558 | M479-A544 HydrophobicContact CE-CB 4.08Å; M541-A544 WeakPolarHBondContact O-CB 3.41Å; M541-A544 PolarHBondContact O-N 3.35Å; M541-A544 VanDerWaalsContact O-N 3.13Å; R542-A544 PolarHBondContact O-N 3.34Å; A544-T548 VanDerWaalsContact O-CB 3.27Å; A544-T548 WeakPolarHBondContact O-CB 3.41Å; A544-T548 PolarHBondContact O-N 2.9Å; A544-T548 PolarHBondContact O-OG1 3.07Å; A544-V556 HydrophobicContact CB-CB 4.23Å; A544-V556 HydrophobicContact CB-CG1 3.94Å; A544-V558 HydrophobicContact CB-CB 4.37Å; A544-V558 HydrophobicContact CB-CG1 3.65Å; A544-V558 HydrophobicContact CB-CG2 3.81Å |
| 545 | Y | 97.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 35.9 Ų | 35.9 | 10% | 0.098 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.5 | -45.1 | 176.5 | -66.9 | -84.9 | 0 | 0 | 0 | 111.7 | E141 Q143 V144 R289 H290 M541 R542 C543 V547 T548 Q549 | E141-Y545 WeakPolarHBondContact CB-OH 3.4Å; E141-Y545 VanDerWaalsContact OE2-CE2 3.25Å; E141-Y545 WeakPolarHBondContact OE2-CE2 3.06Å; E141-Y545 PolarHBondContact OE2-OH 2.83Å; Q143-Y545 HydrophobicContact CB-CD1 4.41Å; Q143-Y545 HydrophobicContact CB-CE1 3.82Å; Q143-Y545 HydrophobicContact CB-CE2 4.34Å; Q143-Y545 HydrophobicContact CG-CD1 4.19Å; Q143-Y545 HydrophobicContact CG-CE1 3.74Å; Q143-Y545 PolarHBondContact N-OH 2.98Å; V144-Y545 HydrophobicContact CG2-CE2 4.04Å; R289-Y545 VanDerWaalsContact NH2-CZ 3.27Å; R289-Y545 PolarHBondContact NH2-OH 2.97Å; H290-Y545 AromaticContact CD2-CD2 3.79Å; H290-Y545 AromaticContact CD2-CG 3.83Å; H290-Y545 AromaticContact CE1-CD2 3.8Å; H290-Y545 AromaticContact CE1-CE2 3.89Å; H290-Y545 AromaticContact NE2-CD2 3.14Å; H290-Y545 WeakPolarHBondContact NE2-CD2 3.19Å; H290-Y545 AromaticContact NE2-CE2 3.32Å; H290-Y545 VanDerWaalsContact NE2-CE2 3.32Å; H290-Y545 WeakPolarHBondContact NE2-CE2 3.43Å; H290-Y545 AromaticContact NE2-CG 3.59Å; H290-Y545 AromaticContact NE2-CZ 3.92Å; M541-Y545 VanDerWaalsContact O-CD2 3.29Å; M541-Y545 WeakPolarHBondContact O-CD2 3.43Å; R542-Y545 PolarHBondContact O-N 3.13Å; R542-Y545 VanDerWaalsContact O-N 3.1Å; C543-Y545 VanDerWaalsContact C-N 3.35Å; C543-Y545 PolarHBondContact O-N 2.76Å; Y545-V547 PolarHBondContact O-N 3.08Å; Y545-T548 PolarHBondContact O-N 3.19Å; Y545-Q549 VanDerWaalsContact O-CB 3.29Å; Y545-Q549 WeakPolarHBondContact O-CB 3.38Å; Y545-Q549 PolarHBondContact O-N 2.89Å |
| 546 | E | 96.3 | Very high | 94.7 | Very high | 60 Ų | 60 | 35.9 Ų | 35.9 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 178.6 | -71 | 175.6 | -171.2 | 0 | 0 | 111.6 | K476 R542 C543 Q549 A550 | K476-E546 VanDerWaalsContact CE-OE2 3.29Å; K476-E546 WeakPolarHBondContact CE-OE2 3.42Å; K476-E546 IonicContact NZ-OE2 3.66Å; K476-E546 PolarHBondContact NZ-OE2 3.09Å; R542-E546 VanDerWaalsContact CD-OE1 3.23Å; R542-E546 WeakPolarHBondContact CD-OE1 3.23Å; R542-E546 HydrophobicContact CG-CG 4.25Å; R542-E546 VanDerWaalsContact CG-OE1 3.3Å; R542-E546 WeakPolarHBondContact CG-OE1 3.49Å; R542-E546 IonicContact NE-OE1 3.74Å; R542-E546 PolarHBondContact NE-OE1 3.49Å; R542-E546 PolarHBondContact O-N 3.31Å; C543-E546 PolarHBondContact O-N 3.19Å; E546-Q549 PolarHBondContact O-N 2.94Å; E546-A550 WeakPolarHBondContact O-CB 3.29Å; E546-A550 PolarHBondContact O-N 3.05Å |
| 547 | V | 95.8 | Very high | 94.7 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.6 | -41.8 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 111.3 | K476 M479 E480 V483 C543 Y545 Q549 A550 V551 V556 | K476-V547 HydrophobicContact CG-CG2 3.93Å; M479-V547 HydrophobicContact CB-CB 4.44Å; M479-V547 HydrophobicContact CB-CG1 4.22Å; M479-V547 HydrophobicContact CB-CG2 3.98Å; M479-V547 HydrophobicContact SD-CG2 4.16Å; E480-V547 HydrophobicContact CG-CG2 4.03Å; V483-V547 HydrophobicContact CG2-CG1 4.46Å; C543-V547 WeakPolarHBondContact O-CG2 3.16Å; C543-V547 PolarHBondContact O-N 2.93Å; Y545-V547 PolarHBondContact O-N 3.08Å; V547-Q549 VanDerWaalsContact C-N 3.32Å; V547-Q549 PolarHBondContact O-N 2.91Å; V547-A550 PolarHBondContact O-N 3.46Å; V547-V551 HydrophobicContact CG1-CG2 4.36Å; V547-V551 PolarHBondContact O-N 3.45Å; V547-V556 HydrophobicContact CB-CG2 4.18Å; V547-V556 HydrophobicContact CG1-CG2 3.85Å |
| 548 | T | 94.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 15% | 0.147 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.4 | Q143 A544 Y545 K552 V556 | Q143-T548 PolarHBondContact NE2-OG1 2.99Å; A544-T548 VanDerWaalsContact O-CB 3.27Å; A544-T548 WeakPolarHBondContact O-CB 3.41Å; A544-T548 PolarHBondContact O-N 2.9Å; A544-T548 PolarHBondContact O-OG1 3.07Å; Y545-T548 PolarHBondContact O-N 3.19Å; T548-K552 WeakPolarHBondContact O-CA 3.36Å; T548-K552 PolarHBondContact O-N 2.9Å; T548-V556 WeakPolarHBondContact OG1-CB 3.5Å; T548-V556 PolarHBondContact OG1-N 3.44Å |
| 549 | Q | 92.9 | Very high | 94.7 | Very high | 149 Ų | 149 | 34.4 Ų | 34.4 | 70% | 0.696 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -67.4 | -35.7 | 178.4 | -176.5 | 173.5 | -9.6 | 0 | 0 | 112.4 | Y545 E546 V547 K552 | Y545-Q549 VanDerWaalsContact O-CB 3.29Å; Y545-Q549 WeakPolarHBondContact O-CB 3.38Å; Y545-Q549 PolarHBondContact O-N 2.89Å; E546-Q549 PolarHBondContact O-N 2.94Å; V547-Q549 VanDerWaalsContact C-N 3.32Å; V547-Q549 PolarHBondContact O-N 2.91Å; Q549-K552 WeakPolarHBondContact O-CG 3.1Å |
| 550 | A | 91.7 | Very high | 94.7 | Very high | 80 Ų | 80 | 34.3 Ų | 34.3 | 66% | 0.661 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -70.4 | -48.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E546 V547 | E546-A550 WeakPolarHBondContact O-CB 3.29Å; E546-A550 PolarHBondContact O-N 3.05Å; V547-A550 PolarHBondContact O-N 3.46Å |
| 551 | V | 87.6 | Confident | 94.6 | Very high | 55 Ų | 55 | 34.2 Ų | 34.2 | 33% | 0.333 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -84.4 | -37.1 | -172.9 | 178.5 | 0 | 0 | 0 | 0 | 112.8 | V483 V547 S553 C554 | V483-V551 HydrophobicContact CG1-CB 4.24Å; V483-V551 HydrophobicContact CG1-CG1 3.68Å; V483-V551 HydrophobicContact CG1-CG2 3.9Å; V547-V551 HydrophobicContact CG1-CG2 4.36Å; V547-V551 PolarHBondContact O-N 3.45Å; V551-S553 VanDerWaalsContact CG1-OG 3.29Å; V551-S553 WeakPolarHBondContact CG1-OG 3.38Å; V551-S553 PolarHBondContact O-N 2.98Å; V551-C554 HydrophobicContact CG1-CB 4.27Å |
| 552 | K | 83.1 | Confident | 94.6 | Very high | 178 Ų | 178 | 34.9 Ų | 34.9 | 77% | 0.774 | 19% | 0.188 | S | C | * | . | S | Bend | trans | 60.4 | -29.2 | -177.3 | -54.8 | 179.3 | -177.1 | 170.4 | 0 | 116.9 | T548 Q549 | T548-K552 WeakPolarHBondContact O-CA 3.36Å; T548-K552 PolarHBondContact O-N 2.9Å; Q549-K552 WeakPolarHBondContact O-CG 3.1Å |
| 553 | S | 84.5 | Confident | 94.6 | Very high | 80 Ų | 80 | 35.9 Ų | 35.9 | 56% | 0.559 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -84.8 | -10.9 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 113.5 | G525 S526 V551 | G525-S553 CarbonylContact C-O 3.47Å; G525-S553 WeakPolarHBondContact CA-O 3.46Å; S526-S553 PolarHBondContact N-O 3.45Å; V551-S553 VanDerWaalsContact CG1-OG 3.29Å; V551-S553 WeakPolarHBondContact CG1-OG 3.38Å; V551-S553 PolarHBondContact O-N 2.98Å |
| 554 | C | 89.3 | Confident | 94.5 | Very high | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 129.6 | 176.7 | -167.8 | 0 | 0 | 0 | 0 | 110.4 | V483 S526 V551 | V483-C554 HydrophobicContact CG1-CB 3.94Å; V483-C554 HydrophobicContact CG2-CB 4.16Å; S526-C554 CarbonylContact O-C 3.29Å; S526-C554 WeakPolarHBondContact O-CA 3.42Å; S526-C554 PolarHBondContact O-SG 3.09Å; S526-C554 VanDerWaalsContact O-SG 3.37Å; V551-C554 HydrophobicContact CG1-CB 4.27Å |
| 555 | E | 93.5 | Very high | 94.5 | Very high | 32 Ų | 32 | 38.2 Ų | 38.2 | 15% | 0.15 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.1 | 172.1 | 177.7 | -178.6 | -140.4 | 0 | 0 | 109.4 | S526 R527 L528 I557 | S526-E555 PolarHBondContact O-N 2.89Å; R527-E555 CarbonylContact C-O 3.59Å; R527-E555 WeakPolarHBondContact CA-O 3.47Å; R527-E555 HydrophobicContact CG-CB 4.39Å; R527-E555 IonicContact CZ-OE2 3.66Å; R527-E555 IonicContact NE-OE2 3.74Å; R527-E555 PolarHBondContact NE-OE2 3Å; R527-E555 IonicContact NH2-OE2 2.62Å; L528-E555 PolarHBondContact N-O 2.96Å; E555-I557 HydrophobicContact CG-CG1 4.2Å |
| 556 | V | 96.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 124.6 | 176.1 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | Q143 M479 L528 I530 A544 V547 T548 V558 | Q143-V556 PolarHBondContact NE2-O 2.88Å; M479-V556 HydrophobicContact CE-CG1 4Å; M479-V556 HydrophobicContact CG-CG1 4.06Å; M479-V556 HydrophobicContact SD-CG1 4.09Å; L528-V556 HydrophobicContact CB-CG2 4.36Å; L528-V556 HydrophobicContact CD2-CG1 4.42Å; L528-V556 HydrophobicContact CD2-CG2 4.33Å; L528-V556 CarbonylContact O-C 3.59Å; L528-V556 WeakPolarHBondContact O-CA 3.44Å; I530-V556 HydrophobicContact CD1-CG1 4.24Å; A544-V556 HydrophobicContact CB-CB 4.23Å; A544-V556 HydrophobicContact CB-CG1 3.94Å; V547-V556 HydrophobicContact CB-CG2 4.18Å; V547-V556 HydrophobicContact CG1-CG2 3.85Å; T548-V556 WeakPolarHBondContact OG1-CB 3.5Å; T548-V556 PolarHBondContact OG1-N 3.44Å; V556-V558 HydrophobicContact CG1-CG1 4.18Å |
| 557 | I | 98.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.5 | 175.5 | -64.1 | 173.5 | 0 | 0 | 0 | 108 | L9 Q143 F145 L182 L528 I529 I530 E555 | L9-I557 HydrophobicContact CD1-CG2 3.89Å; L9-I557 HydrophobicContact CD2-CD1 4.29Å; Q143-I557 WeakPolarHBondContact O-CA 3.43Å; F145-I557 HydrophobicContact CD1-CG2 3.68Å; F145-I557 HydrophobicContact CE1-CG2 3.97Å; L182-I557 HydrophobicContact CD1-CD1 3.66Å; L182-I557 HydrophobicContact CD2-CD1 3.89Å; L182-I557 HydrophobicContact CG-CD1 4.45Å; L528-I557 PolarHBondContact O-N 3.19Å; I529-I557 CarbonylContact C-O 3.56Å; I529-I557 WeakPolarHBondContact CA-O 3.46Å; I530-I557 PolarHBondContact N-O 2.88Å; E555-I557 HydrophobicContact CG-CG1 4.2Å |
| 558 | V | 98.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 148.7 | -178.7 | -65 | 0 | 0 | 0 | 0 | 111.4 | Q143 V144 F145 M479 I530 I536 M541 A544 V556 | Q143-V558 PolarHBondContact O-N 3.22Å; V144-V558 VanDerWaalsContact CA-O 3.26Å; V144-V558 WeakPolarHBondContact CA-O 3.48Å; V144-V558 HydrophobicContact CG1-CG2 4.45Å; V144-V558 HydrophobicContact CG2-CG2 3.9Å; F145-V558 WeakPolarHBondContact CD1-O 3.24Å; F145-V558 VanDerWaalsContact CE1-C 3.47Å; F145-V558 PolarHBondContact N-O 3.4Å; M479-V558 HydrophobicContact CE-CG1 3.33Å; I530-V558 HydrophobicContact CB-CG1 4.15Å; I530-V558 HydrophobicContact CD1-CG1 4.49Å; I530-V558 CarbonylContact O-C 3.57Å; I530-V558 WeakPolarHBondContact O-CA 3.2Å; I536-V558 HydrophobicContact CD1-CB 3.58Å; I536-V558 HydrophobicContact CD1-CG1 4.35Å; I536-V558 HydrophobicContact CD1-CG2 3.68Å; M541-V558 HydrophobicContact CG-CG2 4.47Å; A544-V558 HydrophobicContact CB-CB 4.37Å; A544-V558 HydrophobicContact CB-CG1 3.65Å; A544-V558 HydrophobicContact CB-CG2 3.81Å; V556-V558 HydrophobicContact CG1-CG1 4.18Å |
| 559 | G | 98.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -165.2 | 179.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | F145 I530 F531 V532 | F145-G559 VanDerWaalsContact CE1-CA 3.45Å; F145-G559 VanDerWaalsContact CE1-N 3.34Å; F145-G559 WeakPolarHBondContact O-CA 3.46Å; I530-G559 PolarHBondContact O-N 2.94Å; F531-G559 WeakPolarHBondContact CA-O 3.33Å; V532-G559 PolarHBondContact N-O 3.09Å |
| 560 | S | 98.6 | Very high | 94.8 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.5 | 178.2 | -171.4 | 164.6 | 0 | 0 | 0 | 0 | 109.5 | T146 C147 F531 V532 G535 I536 H562 | T146-S560 WeakPolarHBondContact CA-O 3.22Å; C147-S560 PolarHBondContact N-O 2.91Å; F531-S560 VanDerWaalsContact CE2-CA 3.42Å; V532-S560 WeakPolarHBondContact O-CA 3.35Å; V532-S560 VanDerWaalsContact O-CB 3.26Å; V532-S560 WeakPolarHBondContact O-CB 3.5Å; V532-S560 PolarHBondContact O-OG 3.07Å; V532-S560 VanDerWaalsContact O-OG 3.1Å; G535-S560 WeakPolarHBondContact CA-OG 3.4Å; G535-S560 PolarHBondContact N-OG 3.15Å; I536-S560 PolarHBondContact N-OG 3.2Å; S560-H562 VanDerWaalsContact C-N 3.26Å; S560-H562 WeakPolarHBondContact CB-O 3.41Å; S560-H562 PolarHBondContact O-N 3.1Å; S560-H562 PolarHBondContact OG-N 3.13Å; S560-H562 PolarHBondContact OG-O 3.47Å |
| 561 | S | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -61.3 | -34.3 | 167.7 | 58.8 | 0 | 0 | 0 | 0 | 113.2 | T146 D148 D149 | T146-S561 PolarHBondContact OG1-O 3.36Å; T146-S561 VanDerWaalsContact OG1-O 3.05Å; D148-S561 PolarHBondContact N-O 3.4Å; D149-S561 PolarHBondContact N-O 3.4Å; D149-S561 WeakPolarHBondContact O-CB 3.3Å |
| 562 | H | 97.9 | Very high | 95.4 | Very high | 15 Ų | 15 | 31 Ų | 31 | 7% | 0.069 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -160.5 | 170.5 | 177.7 | 61.1 | -68 | 0 | 0 | 0 | 111.2 | T146 P150 G535 I536 S560 L564 D572 | T146-H562 WeakPolarHBondContact OG1-CA 3.23Å; P150-H562 HydrophobicContact CB-CB 4.32Å; P150-H562 HydrophobicContact CG-CB 4.06Å; G535-H562 WeakPolarHBondContact CA-O 3.22Å; I536-H562 PolarHBondContact N-O 3.02Å; S560-H562 VanDerWaalsContact C-N 3.26Å; S560-H562 WeakPolarHBondContact CB-O 3.41Å; S560-H562 PolarHBondContact O-N 3.1Å; S560-H562 PolarHBondContact OG-N 3.13Å; S560-H562 PolarHBondContact OG-O 3.47Å; H562-L564 WeakPolarHBondContact NE2-CD2 3.38Å; H562-D572 IonicContact NE2-OD2 2.81Å |
| 563 | I | 97.9 | Very high | 96 | Very high | 40 Ų | 40 | 22.5 Ų | 22.5 | 21% | 0.205 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 136.7 | 174.2 | -58.3 | 172.7 | 0 | 0 | 0 | 108.7 | Q140 I536 Y538 M541 | Q140-I563 HydrophobicContact CB-CD1 4.2Å; Q140-I563 HydrophobicContact CG-CD1 4.01Å; I536-I563 HydrophobicContact CG2-CG1 4.41Å; I536-I563 CarbonylContact O-C 3.54Å; I536-I563 WeakPolarHBondContact O-CA 3.44Å; Y538-I563 HydrophobicContact CD1-CG2 4.34Å; Y538-I563 HydrophobicContact CD2-CG2 4.28Å; Y538-I563 HydrophobicContact CE1-CG2 3.84Å; Y538-I563 HydrophobicContact CE2-CG2 3.75Å; M541-I563 HydrophobicContact CE-CD1 4.23Å; M541-I563 HydrophobicContact SD-CD1 4.12Å; M541-I563 HydrophobicContact SD-CG1 4.26Å; M541-I563 HydrophobicContact SD-CG2 3.9Å |
| 564 | L | 96.9 | Very high | 96.5 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 3% | 0.026 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 139.7 | -177.4 | -65.9 | 173.7 | 0 | 0 | 0 | 112 | P242 G535 I536 T537 H562 L569 | P242-L564 HydrophobicContact CB-CD1 4.47Å; G535-L564 VanDerWaalsContact C-CD1 3.48Å; G535-L564 VanDerWaalsContact CA-CG 3.48Å; I536-L564 PolarHBondContact O-N 3.02Å; T537-L564 HydrophobicContact CG2-CB 4.43Å; T537-L564 HydrophobicContact CG2-CD1 4.42Å; H562-L564 WeakPolarHBondContact NE2-CD2 3.38Å; L564-L569 HydrophobicContact CD1-CD1 4.25Å; L564-L569 HydrophobicContact CD1-CD2 4.43Å; L564-L569 HydrophobicContact CD2-CB 4.15Å; L564-L569 HydrophobicContact CD2-CD1 4.16Å |
| 565 | T | 97.2 | Very high | 96.7 | Very high | 43 Ų | 43 | 21.2 Ų | 21.2 | 26% | 0.264 | 12% | 0.118 | S | C | . | . | trans | -107.3 | 153.1 | 152 | 62.7 | 0 | 0 | 0 | 0 | 108.6 | Y254 Y538 I567 G568 L569 | Y254-T565 WeakPolarHBondContact O-CG2 3.35Å; Y538-T565 HydrophobicContact CE2-CG2 4.23Å; T565-I567 VanDerWaalsContact C-N 3.27Å; T565-I567 PolarHBondContact O-N 3.07Å; T565-G568 PolarHBondContact O-N 2.74Å; T565-G568 VanDerWaalsContact O-N 3.14Å; T565-G568 PolarHBondContact OG1-N 3.02Å; T565-L569 PolarHBondContact O-N 3.17Å | ||
| 566 | P | 96.9 | Very high | 96.7 | Very high | 15 Ų | 15 | 19.7 Ų | 19.7 | 10% | 0.097 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -55.4 | -42.4 | -179.4 | -29.1 | 37.7 | 0 | 0 | 0 | 112.9 | P242 D255 L570 | P242-P566 WeakPolarHBondContact O-CA 3.44Å; P242-P566 WeakPolarHBondContact O-CG 3.27Å; D255-P566 HydrophobicContact CB-CG 4.41Å; D255-P566 WeakPolarHBondContact OD1-CG 3.33Å; P566-L570 WeakPolarHBondContact O-CG 3.46Å; P566-L570 PolarHBondContact O-N 3.48Å; P566-L570 VanDerWaalsContact O-N 3.11Å |
| 567 | I | 95.8 | Very high | 96.1 | Very high | 75 Ų | 75 | 21.4 Ų | 21.4 | 39% | 0.385 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -65 | -46.8 | 177.2 | -63.4 | 171.1 | 0 | 0 | 0 | 111 | T565 L569 L570 E571 | T565-I567 VanDerWaalsContact C-N 3.27Å; T565-I567 PolarHBondContact O-N 3.07Å; I567-L569 VanDerWaalsContact C-N 3.33Å; I567-L569 PolarHBondContact O-N 3.06Å; I567-L570 PolarHBondContact O-N 3.31Å; I567-E571 WeakPolarHBondContact O-CG 3.37Å; I567-E571 PolarHBondContact O-N 2.81Å |
| 568 | G | 95.8 | Very high | 95.2 | Very high | 27 Ų | 27 | 26.4 Ų | 26.4 | 28% | 0.278 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -58 | -44.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T565 L570 E571 D572 | T565-G568 PolarHBondContact O-N 2.74Å; T565-G568 VanDerWaalsContact O-N 3.14Å; T565-G568 PolarHBondContact OG1-N 3.02Å; G568-L570 PolarHBondContact O-N 2.86Å; G568-E571 PolarHBondContact O-N 2.79Å; G568-D572 PolarHBondContact O-N 3.12Å |
| 569 | L | 97.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 176 | 177.8 | 63.4 | 0 | 0 | 0 | 112.2 | F153 P242 I243 W437 L564 T565 I567 E571 D572 I573 | F153-L569 HydrophobicContact CE2-CD1 3.91Å; F153-L569 HydrophobicContact CZ-CD1 3.93Å; P242-L569 HydrophobicContact CB-CD2 3.32Å; P242-L569 HydrophobicContact CG-CD2 4.25Å; I243-L569 HydrophobicContact CG2-CD2 4.42Å; W437-L569 HydrophobicContact CH2-CD2 3.79Å; W437-L569 HydrophobicContact CZ2-CD2 4.17Å; L564-L569 HydrophobicContact CD1-CD1 4.25Å; L564-L569 HydrophobicContact CD1-CD2 4.43Å; L564-L569 HydrophobicContact CD2-CB 4.15Å; L564-L569 HydrophobicContact CD2-CD1 4.16Å; T565-L569 PolarHBondContact O-N 3.17Å; I567-L569 VanDerWaalsContact C-N 3.33Å; I567-L569 PolarHBondContact O-N 3.06Å; L569-E571 VanDerWaalsContact C-N 3.32Å; L569-E571 PolarHBondContact O-N 3.28Å; L569-D572 PolarHBondContact O-N 2.94Å; L569-I573 HydrophobicContact CD1-CD1 3.87Å; L569-I573 HydrophobicContact CD1-CG1 4.09Å; L569-I573 HydrophobicContact CD2-CD1 4.37Å; L569-I573 HydrophobicContact CG-CD1 3.81Å; L569-I573 HydrophobicContact CG-CG1 4.36Å; L569-I573 WeakPolarHBondContact O-CB 3.36Å; L569-I573 VanDerWaalsContact O-CG1 3.3Å; L569-I573 WeakPolarHBondContact O-CG1 3.32Å; L569-I573 PolarHBondContact O-N 3.29Å |
| 570 | L | 96.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | -180 | -73.9 | 179.6 | 0 | 0 | 0 | 111 | H397 I400 R401 L404 F433 P566 I567 G568 D572 I573 K574 | H397-L570 HydrophobicContact CB-CD1 4.22Å; I400-L570 HydrophobicContact CG2-CD1 4.25Å; I400-L570 HydrophobicContact CG2-CD2 4Å; R401-L570 HydrophobicContact CG-CD1 3.98Å; L404-L570 HydrophobicContact CD1-CD2 3.66Å; F433-L570 HydrophobicContact CD1-CB 3.72Å; F433-L570 HydrophobicContact CD1-CD2 4.44Å; F433-L570 WeakPolarHBondContact CD1-O 3.39Å; F433-L570 VanDerWaalsContact CE1-C 3.42Å; F433-L570 HydrophobicContact CE1-CB 3.76Å; F433-L570 WeakPolarHBondContact CE1-O 3.27Å; P566-L570 WeakPolarHBondContact O-CG 3.46Å; P566-L570 PolarHBondContact O-N 3.48Å; P566-L570 VanDerWaalsContact O-N 3.11Å; I567-L570 PolarHBondContact O-N 3.31Å; G568-L570 PolarHBondContact O-N 2.86Å; L570-D572 PolarHBondContact O-N 3.35Å; L570-I573 PolarHBondContact O-N 3.41Å; L570-K574 PolarHBondContact O-N 2.99Å |
| 571 | E | 95.8 | Very high | 89.3 | Confident | 82 Ų | 82 | 40.8 Ų | 40.8 | 38% | 0.383 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63 | -41.4 | 176.9 | -65.5 | -55.9 | 148.2 | 0 | 0 | 112.1 | H397 F433 I567 G568 L569 I573 K574 A575 | H397-E571 IonicContact CD2-OE1 3.66Å; H397-E571 IonicContact CE1-OE1 3.9Å; H397-E571 IonicContact NE2-OE1 2.67Å; H397-E571 PolarHBondContact NE2-OE1 3.38Å; F433-E571 WeakPolarHBondContact CZ-OE1 3.48Å; I567-E571 WeakPolarHBondContact O-CG 3.37Å; I567-E571 PolarHBondContact O-N 2.81Å; G568-E571 PolarHBondContact O-N 2.79Å; L569-E571 VanDerWaalsContact C-N 3.32Å; L569-E571 PolarHBondContact O-N 3.28Å; E571-I573 VanDerWaalsContact C-N 3.34Å; E571-I573 PolarHBondContact O-N 3.27Å; E571-K574 PolarHBondContact O-N 2.88Å; E571-A575 WeakPolarHBondContact O-CB 3.3Å; E571-A575 PolarHBondContact O-N 3.44Å |
| 572 | D | 95.7 | Very high | 86.5 | Confident | 46 Ų | 46 | 48 Ų | 48 | 25% | 0.246 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 175.7 | -79 | -22.3 | 0 | 0 | 0 | 112.1 | F153 H562 G568 L569 L570 A575 L576 | F153-D572 HydrophobicContact CD1-CB 3.65Å; F153-D572 HydrophobicContact CE1-CB 3.81Å; F153-D572 HydrophobicContact CG-CB 4.31Å; H562-D572 IonicContact NE2-OD2 2.81Å; G568-D572 PolarHBondContact O-N 3.12Å; L569-D572 PolarHBondContact O-N 2.94Å; L570-D572 PolarHBondContact O-N 3.35Å; D572-A575 PolarHBondContact O-N 2.88Å; D572-L576 PolarHBondContact O-N 3.41Å |
| 573 | I | 96.5 | Very high | 83.5 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 176 | -72.8 | 176.9 | 0 | 0 | 0 | 111.2 | F153 N436 W437 L569 L570 E571 A575 L576 | F153-I573 HydrophobicContact CE1-CG1 4.03Å; F153-I573 HydrophobicContact CZ-CG1 3.75Å; N436-I573 HydrophobicContact CB-CG2 3.7Å; N436-I573 WeakPolarHBondContact CB-O 3.39Å; N436-I573 PolarHBondContact ND2-O 2.98Å; W437-I573 HydrophobicContact CD2-CD1 3.57Å; W437-I573 HydrophobicContact CE3-CD1 4.05Å; W437-I573 HydrophobicContact CG-CD1 4.12Å; W437-I573 HydrophobicContact CG-CG2 4.37Å; W437-I573 HydrophobicContact CH2-CD1 3.86Å; W437-I573 HydrophobicContact CZ2-CD1 3.33Å; W437-I573 HydrophobicContact CZ3-CD1 4.18Å; L569-I573 HydrophobicContact CD1-CD1 3.87Å; L569-I573 HydrophobicContact CD1-CG1 4.09Å; L569-I573 HydrophobicContact CD2-CD1 4.37Å; L569-I573 HydrophobicContact CG-CD1 3.81Å; L569-I573 HydrophobicContact CG-CG1 4.36Å; L569-I573 WeakPolarHBondContact O-CB 3.36Å; L569-I573 VanDerWaalsContact O-CG1 3.3Å; L569-I573 WeakPolarHBondContact O-CG1 3.32Å; L569-I573 PolarHBondContact O-N 3.29Å; L570-I573 PolarHBondContact O-N 3.41Å; E571-I573 VanDerWaalsContact C-N 3.34Å; E571-I573 PolarHBondContact O-N 3.27Å; I573-A575 PolarHBondContact O-N 3.32Å; I573-L576 WeakPolarHBondContact O-CB 3.33Å; I573-L576 PolarHBondContact O-N 3.49Å; I573-L576 VanDerWaalsContact O-N 3.16Å |
| 574 | K | 94.8 | Very high | 80.3 | Confident | 39 Ų | 39 | 59.6 Ų | 59.6 | 17% | 0.17 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.5 | -36.3 | 173.8 | 178.4 | 169.9 | -174.8 | 169.8 | 0 | 111.5 | E430 E432 F433 N436 L570 E571 L576 S577 | E430-K574 IonicContact OE2-NZ 2.67Å; E430-K574 PolarHBondContact OE2-NZ 3.14Å; E432-K574 HydrophobicContact CB-CG 4.27Å; F433-K574 HydrophobicContact CD1-CB 3.78Å; F433-K574 HydrophobicContact CD1-CD 4.3Å; F433-K574 HydrophobicContact CD2-CD 3.82Å; F433-K574 HydrophobicContact CE1-CB 3.77Å; F433-K574 HydrophobicContact CE1-CD 3.86Å; F433-K574 HydrophobicContact CE1-CG 4.47Å; F433-K574 HydrophobicContact CE2-CD 3.4Å; F433-K574 VanDerWaalsContact CE2-CD 3.4Å; F433-K574 HydrophobicContact CG-CB 4.18Å; F433-K574 HydrophobicContact CG-CD 4.29Å; F433-K574 HydrophobicContact CZ-CB 4.22Å; F433-K574 HydrophobicContact CZ-CD 3.4Å; F433-K574 HydrophobicContact CZ-CG 4.45Å; N436-K574 PolarHBondContact ND2-O 3.47Å; L570-K574 PolarHBondContact O-N 2.99Å; E571-K574 PolarHBondContact O-N 2.88Å; K574-L576 VanDerWaalsContact C-N 3.26Å; K574-L576 PolarHBondContact O-N 3.42Å; K574-S577 PolarHBondContact O-OG 2.67Å |
| 575 | A | 93.3 | Very high | 77.2 | Confident | 24 Ų | 24 | 65 Ų | 65 | 20% | 0.198 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -10.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | R154 E571 D572 I573 K578 | R154-A575 PolarHBondContact NE-O 3.03Å; E571-A575 WeakPolarHBondContact O-CB 3.3Å; E571-A575 PolarHBondContact O-N 3.44Å; D572-A575 PolarHBondContact O-N 2.88Å; I573-A575 PolarHBondContact O-N 3.32Å; A575-K578 PolarHBondContact O-N 3.27Å |
| 576 | L | 93.8 | Very high | 74 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.385 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -36.2 | -179 | -65.8 | -178.5 | 0 | 0 | 0 | 113.7 | F153 R154 S158 N436 E439 L440 D572 I573 K574 K578 | F153-L576 HydrophobicContact CD1-CD2 3.94Å; F153-L576 HydrophobicContact CE1-CD1 3.89Å; F153-L576 HydrophobicContact CE1-CD2 3.81Å; F153-L576 HydrophobicContact CE1-CG 4Å; F153-L576 HydrophobicContact CZ-CD1 4.44Å; R154-L576 HydrophobicContact CB-CD2 4.47Å; R154-L576 HydrophobicContact CG-CD2 4.39Å; S158-L576 PolarHBondContact OG-O 2.96Å; N436-L576 HydrophobicContact CB-CB 4.37Å; E439-L576 HydrophobicContact CB-CD1 4.01Å; E439-L576 HydrophobicContact CG-CD1 4.47Å; L440-L576 HydrophobicContact CD1-CD1 3.67Å; D572-L576 PolarHBondContact O-N 3.41Å; I573-L576 WeakPolarHBondContact O-CB 3.33Å; I573-L576 PolarHBondContact O-N 3.49Å; I573-L576 VanDerWaalsContact O-N 3.16Å; K574-L576 VanDerWaalsContact C-N 3.26Å; K574-L576 PolarHBondContact O-N 3.42Å; L576-K578 VanDerWaalsContact C-N 3.32Å |
| 577 | S | 84.4 | Confident | 70.9 | Confident | 36 Ų | 36 | 76 Ų | 76 | 25% | 0.252 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -74.5 | -21.6 | 179.3 | 51.8 | 0 | 0 | 0 | 0 | 113 | E432 N436 K574 | E432-S577 VanDerWaalsContact CD-OG 3.3Å; E432-S577 PolarHBondContact OE1-OG 3.04Å; N436-S577 WeakPolarHBondContact ND2-CB 3.2Å; N436-S577 PolarHBondContact ND2-N 3.15Å; N436-S577 PolarHBondContact ND2-OG 2.9Å; K574-S577 PolarHBondContact O-OG 2.67Å |
| 578 | K | 78.9 | Confident | 67.9 | Low | 106 Ų | 106 | 81 Ų | 81 | 46% | 0.461 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -72.6 | 132.6 | -179 | -62.2 | -177.6 | -178.8 | 176.7 | 0 | 110.2 | R154 A575 L576 | R154-K578 PolarHBondContact NH2-O 3.28Å; A575-K578 PolarHBondContact O-N 3.27Å; L576-K578 VanDerWaalsContact C-N 3.32Å |
| 579 | G | 64.1 | Low | 64.9 | Low | 41 Ų | 41 | 90 Ų | 90 | 42% | 0.423 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 161.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 112 | R154 M581 | R154-G579 PolarHBondContact NH2-O 2.89Å; G579-M581 PolarHBondContact O-N 3.04Å |
| 580 | P | 57.7 | Low | 62 | Low | 104 Ų | 104 | 95.5 Ų | 95.5 | 68% | 0.675 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -51.3 | 128.7 | 175.5 | 21.2 | -30.1 | 0 | 0 | 0 | 109 | E582 | P580-E582 PolarHBondContact O-N 3.49Š|
| 581 | M | 49.4 | Very low | 59.2 | Low | 158 Ų | 158 | 102.8 Ų | 102.8 | 78% | 0.778 | 54% | 0.541 | S | S | * | . | P | Polyproline II helix | trans | -60.9 | 124.7 | 175.1 | -75.6 | -170.2 | -163.2 | 0 | 0 | 107 | G579 T583 | G579-M581 PolarHBondContact O-N 3.04Å; M581-T583 PolarHBondContact O-N 3.47Å; M581-T583 VanDerWaalsContact O-N 3.09Å |
| 582 | E | 40 | Very low | 56.4 | Low | 151 Ų | 151 | 107.2 Ų | 107.2 | 71% | 0.706 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 118.1 | 165.7 | -71.7 | -177.3 | 164.8 | 0 | 0 | 107.3 | P580 F584 | P580-E582 PolarHBondContact O-N 3.49Å; E582-F584 VanDerWaalsContact C-N 3.32Å; E582-F584 HydrophobicContact CB-CE2 4.32Å; E582-F584 WeakPolarHBondContact O-CD2 3.41Å; E582-F584 PolarHBondContact O-N 3.36Å |
| 583 | T | 33.8 | Very low | 54.4 | Low | 127 Ų | 127 | 110.3 Ų | 110.3 | 78% | 0.779 | 61% | 0.609 | S | S | * | * | trans | -66.3 | 96.6 | 170.7 | 43.5 | 0 | 0 | 0 | 0 | 107.2 | M581 T585 | M581-T583 PolarHBondContact O-N 3.47Å; M581-T583 VanDerWaalsContact O-N 3.09Å; T583-T585 VanDerWaalsContact C-N 3.33Å; T583-T585 PolarHBondContact O-N 3.02Å | ||
| 584 | F | 30.4 | Very low | 52.2 | Low | 172 Ų | 172 | 116.1 Ų | 116.1 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | trans | -66.6 | 96.3 | 168.4 | -72 | -82.6 | 0 | 0 | 0 | 108.2 | E582 V586 | E582-F584 VanDerWaalsContact C-N 3.32Å; E582-F584 HydrophobicContact CB-CE2 4.32Å; E582-F584 WeakPolarHBondContact O-CD2 3.41Å; E582-F584 PolarHBondContact O-N 3.36Å; F584-V586 PolarHBondContact O-N 3.38Å | ||
| 585 | T | 31.6 | Very low | 49.9 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 72% | 0.724 | 67% | 0.667 | S | S | * | * | trans | -69.7 | 104.7 | 161.2 | 43.7 | 0 | 0 | 0 | 0 | 107.1 | T583 E587 | T583-T585 VanDerWaalsContact C-N 3.33Å; T583-T585 PolarHBondContact O-N 3.02Å; T585-E587 VanDerWaalsContact C-N 3.33Å; T585-E587 PolarHBondContact O-N 3.42Å | ||
| 586 | V | 31.2 | Very low | 47.3 | Very low | 127 Ų | 127 | 126 Ų | 126 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | trans | -67.4 | 99.3 | 164.6 | 179.3 | 0 | 0 | 0 | 0 | 106.1 | F584 E588 | F584-V586 PolarHBondContact O-N 3.38Å; V586-E588 PolarHBondContact O-N 3.2Å | ||
| 587 | E | 31.2 | Very low | 44.4 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 76% | 0.757 | 74% | 0.738 | S | S | * | * | trans | -65.1 | 103 | 162.5 | -73.8 | -174.1 | 163.6 | 0 | 0 | 107.1 | T585 R589 | T585-E587 VanDerWaalsContact C-N 3.33Å; T585-E587 PolarHBondContact O-N 3.42Å; E587-R589 VanDerWaalsContact C-N 3.3Å; E587-R589 PolarHBondContact O-N 3.47Å | ||
| 588 | E | 33.4 | Very low | 41.7 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 77% | 0.77 | S | S | * | * | trans | -60.4 | 99.1 | 162.1 | -80.5 | -175.4 | 158.9 | 0 | 0 | 107.4 | V586 S590 | V586-E588 PolarHBondContact O-N 3.2Å; E588-S590 PolarHBondContact O-N 3.11Å | ||
| 589 | R | 31.9 | Very low | 39.1 | Very low | 216 Ų | 216 | 142.9 Ų | 142.9 | 82% | 0.815 | 79% | 0.792 | S | S | * | * | trans | -61.7 | 101.9 | 165.6 | -76.5 | -176.1 | 177.8 | -177.3 | -0.3 | 107.7 | E587 N591 | E587-R589 VanDerWaalsContact C-N 3.3Å; E587-R589 PolarHBondContact O-N 3.47Å; R589-N591 PolarHBondContact O-N 3.05Å | ||
| 590 | S | 37.6 | Very low | 37.1 | Very low | 116 Ų | 116 | 150.7 Ų | 150.7 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -58 | 104.8 | 161.3 | 48.2 | 0 | 0 | 0 | 0 | 108.4 | E588 A592 | E588-S590 PolarHBondContact O-N 3.11Å; S590-A592 PolarHBondContact O-N 2.92Å | ||
| 591 | N | 38.4 | Very low | 35.4 | Very low | 153 Ų | 153 | 154.6 Ų | 154.6 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | -70.3 | 125.3 | 164.6 | -82 | -15.8 | 0 | 0 | 0 | 108.2 | R589 | R589-N591 PolarHBondContact O-N 3.05Š| ||
| 592 | A | 36.2 | Very low | 34.2 | Very low | 174 Ų | 174 | 154.3 Ų | 154.3 | 100% | 1.438 | 84% | 0.838 | S | S | * | * | trans | -63.8 | 0 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S590 | S590-A592 PolarHBondContact O-N 2.92Š|
Retrieved 592 of 592 residues in 4068.2 ms
(Link to these results)