| 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 | 77.3 | Confident | 82.1 | Confident | 224 Ų | 224 | 80.1 Ų | 80.1 | 100% | 1.103 | 44% | 0.436 | S | S | * | . | 0 | 125.7 | 0 | -165.4 | 174.7 | -108.6 | 0 | 0 | 107 | V28 | M1-V28 WeakPolarHBondContact O-CB 3.48Š| |||
| 2 | S | 87 | Confident | 82.1 | Confident | 80 Ų | 80 | 75.1 Ų | 75.1 | 56% | 0.559 | 41% | 0.411 | S | S | * | . | trans | -99.9 | 145.8 | 177.2 | 48.3 | 0 | 0 | 0 | 0 | 110.2 | V28 | S2-V28 WeakPolarHBondContact CA-O 3.47Š| ||
| 3 | L | 91.3 | Very high | 82.3 | Confident | 63 Ų | 63 | 74.8 Ų | 74.8 | 33% | 0.33 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.4 | -178.1 | -179.3 | 67.3 | 0 | 0 | 0 | 110.5 | V5 T25 V28 T29 K30 | L3-V5 HydrophobicContact CD1-CG2 4.37Å; L3-V5 HydrophobicContact CD2-CG2 3.58Å; L3-V5 HydrophobicContact CG-CG2 3.68Å; L3-T25 HydrophobicContact CD2-CG2 3.22Å; L3-V28 HydrophobicContact CB-CG2 4.35Å; L3-V28 PolarHBondContact N-O 3.36Å; L3-T29 CarbonylContact O-C 3.58Å; L3-T29 WeakPolarHBondContact O-CA 3.48Å; L3-K30 PolarHBondContact O-N 2.98Å |
| 4 | N | 92.4 | Very high | 82.8 | Confident | 83 Ų | 83 | 78.1 Ų | 78.1 | 44% | 0.444 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 121 | 167.4 | -61.8 | -64.3 | 0 | 0 | 0 | 107.5 | F6 T31 | N4-F6 HydrophobicContact CB-CE2 3.77Å; N4-F6 HydrophobicContact CB-CZ 4.5Å; N4-T31 VanDerWaalsContact OD1-CB 3.29Å; N4-T31 WeakPolarHBondContact OD1-CB 3.46Å; N4-T31 PolarHBondContact OD1-N 3.33Å; N4-T31 PolarHBondContact OD1-OG1 3.4Å |
| 5 | V | 90 | Very high | 83.4 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 17% | 0.17 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 124.9 | -176.7 | -174.8 | 0 | 0 | 0 | 0 | 108.6 | L3 F7 T29 T31 L32 T33 | L3-V5 HydrophobicContact CD1-CG2 4.37Å; L3-V5 HydrophobicContact CD2-CG2 3.58Å; L3-V5 HydrophobicContact CG-CG2 3.68Å; V5-F7 HydrophobicContact CG1-CD1 4.37Å; V5-F7 HydrophobicContact CG1-CD2 4.36Å; V5-F7 HydrophobicContact CG1-CE1 3.97Å; V5-F7 HydrophobicContact CG1-CE2 3.97Å; V5-F7 HydrophobicContact CG1-CZ 3.76Å; V5-T29 HydrophobicContact CG2-CG2 4.25Å; V5-T31 PolarHBondContact N-O 2.87Å; V5-L32 WeakPolarHBondContact O-CA 3.45Å; V5-T33 PolarHBondContact O-N 3.25Å; V5-T33 VanDerWaalsContact O-N 3.1Å |
| 6 | F | 90.8 | Very high | 83.9 | Confident | 112 Ų | 112 | 80.8 Ų | 80.8 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 109.6 | 174.4 | -62.8 | -91.9 | 0 | 0 | 0 | 107.5 | N4 T31 T33 I35 | N4-F6 HydrophobicContact CB-CE2 3.77Å; N4-F6 HydrophobicContact CB-CZ 4.5Å; F6-T31 HydrophobicContact CE1-CG2 4.28Å; F6-T31 HydrophobicContact CZ-CG2 4.13Å; F6-T33 CarbonylContact C-O 3.56Å; F6-T33 WeakPolarHBondContact CA-O 3.39Å; F6-T33 HydrophobicContact CD1-CG2 3.25Å; F6-T33 HydrophobicContact CE1-CG2 3.47Å; F6-T33 VanDerWaalsContact CE1-CG2 3.47Å; F6-T33 HydrophobicContact CG-CG2 4.23Å; F6-I35 HydrophobicContact CB-CG2 4.29Å; F6-I35 HydrophobicContact CD1-CG2 4.15Å |
| 7 | F | 88.8 | Confident | 84.3 | Confident | 50 Ų | 50 | 80.2 Ų | 80.2 | 22% | 0.219 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 123.2 | 176.6 | -66.8 | -67 | 0 | 0 | 0 | 110.1 | V5 C12 L20 L32 T33 E34 I35 | V5-F7 HydrophobicContact CG1-CD1 4.37Å; V5-F7 HydrophobicContact CG1-CD2 4.36Å; V5-F7 HydrophobicContact CG1-CE1 3.97Å; V5-F7 HydrophobicContact CG1-CE2 3.97Å; V5-F7 HydrophobicContact CG1-CZ 3.76Å; F7-C12 HydrophobicContact CD2-CB 4.11Å; F7-C12 HydrophobicContact CE2-CB 3.98Å; F7-C12 HydrophobicContact CG-CB 4.46Å; F7-C12 HydrophobicContact CZ-CB 4.22Å; F7-L20 HydrophobicContact CE2-CD2 4.45Å; F7-L20 HydrophobicContact CZ-CD2 3.84Å; F7-L32 HydrophobicContact CE2-CD1 4.19Å; F7-L32 HydrophobicContact CE2-CD2 4.11Å; F7-L32 HydrophobicContact CE2-CG 4Å; F7-T33 PolarHBondContact N-O 2.86Å; F7-E34 HydrophobicContact CB-CG 4.22Å; F7-E34 HydrophobicContact CD2-CG 4.32Å; F7-I35 VanDerWaalsContact O-CG1 3.3Å; F7-I35 WeakPolarHBondContact O-CG1 3.46Å; F7-I35 PolarHBondContact O-N 2.71Å |
| 8 | V | 79.5 | Confident | 84.8 | Confident | 82 Ų | 82 | 80.1 Ų | 80.1 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -82.8 | -43.5 | -178 | -177.6 | 0 | 0 | 0 | 0 | 110.9 | I35 I37 | V8-I35 HydrophobicContact CB-CD1 4.36Å; V8-I35 HydrophobicContact CG1-CD1 4.34Å; V8-I35 HydrophobicContact CG2-CD1 4.05Å; V8-I37 WeakPolarHBondContact CG1-O 3.46Å; V8-I37 CarbonylContact O-C 3.56Å; V8-I37 PolarHBondContact O-N 2.79Å |
| 9 | F | 70.3 | Confident | 85.3 | Confident | 81 Ų | 81 | 82.9 Ų | 82.9 | 36% | 0.355 | 45% | 0.45 | S | S | . | . | S | Bend | trans | -75.5 | 144.3 | 173.9 | -153.6 | -97.7 | 0 | 0 | 0 | 109.7 | A38 R73 E76 Q77 | F9-A38 HydrophobicContact CD2-CB 4.09Å; F9-R73 HydrophobicContact CE2-CG 4.05Å; F9-R73 HydrophobicContact CZ-CB 4.3Å; F9-R73 HydrophobicContact CZ-CG 3.76Å; F9-E76 WeakPolarHBondContact CE1-OE2 3.38Å; F9-Q77 HydrophobicContact CE2-CG 3.84Å; F9-Q77 HydrophobicContact CZ-CG 4.48Å |
| 10 | P | 65.8 | Low | 85.6 | Confident | 12 Ų | 12 | 80.8 Ų | 80.8 | 8% | 0.078 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -60.3 | 164.2 | -176.8 | 20.5 | -29.6 | 0 | 0 | 0 | 112.9 | E76 T80 | P10-E76 HydrophobicContact CG-CB 3.75Å; P10-E76 HydrophobicContact CG-CG 4.28Å; P10-T80 HydrophobicContact CB-CG2 4.35Å; P10-T80 HydrophobicContact CG-CG2 4.11Å |
| 11 | A | 69.9 | Low | 85.9 | Confident | 66 Ų | 66 | 80 Ų | 80 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | S | Bend | trans | 10.9 | 101.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P13 E34 | A11-P13 VanDerWaalsContact O-CD 3.29Å; A11-P13 WeakPolarHBondContact O-CD 3.42Å; A11-E34 WeakPolarHBondContact CA-OE1 3.42Å |
| 12 | C | 81.8 | Confident | 86.7 | Confident | 20 Ų | 20 | 77.6 Ų | 77.6 | 14% | 0.135 | 42% | 0.419 | C | S | . | . | trans | -52.5 | 119.3 | 174.7 | -175.6 | 0 | 0 | 0 | 0 | 109 | F7 D14 F17 E34 | F7-C12 HydrophobicContact CD2-CB 4.11Å; F7-C12 HydrophobicContact CE2-CB 3.98Å; F7-C12 HydrophobicContact CG-CB 4.46Å; F7-C12 HydrophobicContact CZ-CB 4.22Å; C12-D14 PolarHBondContact O-N 3.11Å; C12-F17 HydrophobicContact CB-CB 4.5Å; C12-E34 PolarHBondContact N-OE1 3.46Å | ||
| 13 | P | 85.4 | Confident | 87.1 | Confident | 72 Ų | 72 | 75.5 Ų | 75.5 | 47% | 0.468 | 41% | 0.405 | S | S | . | . | trans | -55.7 | 134.7 | -174.7 | -27.9 | 34.1 | 0 | 0 | 0 | 111.2 | A11 L16 F17 | A11-P13 VanDerWaalsContact O-CD 3.29Å; A11-P13 WeakPolarHBondContact O-CD 3.42Å; P13-L16 HydrophobicContact CB-CD1 4.5Å; P13-L16 HydrophobicContact CG-CD1 4.21Å; P13-L16 WeakPolarHBondContact O-CA 3.49Å; P13-L16 PolarHBondContact O-N 3.16Å; P13-F17 PolarHBondContact O-N 3.2Å | ||
| 14 | D | 88.7 | Confident | 87.2 | Confident | 121 Ų | 121 | 83.4 Ų | 83.4 | 65% | 0.647 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -45.9 | -41 | -177.9 | -76.2 | -13.3 | 0 | 0 | 0 | 113.9 | C12 L16 N18 | C12-D14 PolarHBondContact O-N 3.11Å; D14-L16 PolarHBondContact O-N 2.83Å; D14-N18 WeakPolarHBondContact O-CB 3.49Å; D14-N18 PolarHBondContact O-N 3.19Å; D14-N18 PolarHBondContact O-ND2 3.29Å |
| 15 | P | 92.3 | Very high | 87.1 | Confident | 97 Ų | 97 | 82.1 Ų | 82.1 | 63% | 0.63 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.7 | -44.3 | 176.1 | -24.4 | 35.8 | 0 | 0 | 0 | 113.5 | N18 E19 | P15-N18 PolarHBondContact O-N 3.01Å; P15-E19 PolarHBondContact O-N 3.48Å |
| 16 | L | 91.1 | Very high | 87.2 | Confident | 101 Ų | 101 | 83 Ų | 83 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 179.7 | -67.6 | 177.2 | 0 | 0 | 0 | 111.4 | P13 D14 N18 E19 L20 | P13-L16 HydrophobicContact CB-CD1 4.5Å; P13-L16 HydrophobicContact CG-CD1 4.21Å; P13-L16 WeakPolarHBondContact O-CA 3.49Å; P13-L16 PolarHBondContact O-N 3.16Å; D14-L16 PolarHBondContact O-N 2.83Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.03Å; L16-E19 PolarHBondContact O-N 2.77Å; L16-L20 WeakPolarHBondContact O-CB 3.13Å; L16-L20 PolarHBondContact O-N 2.82Å |
| 17 | F | 91.3 | Very high | 87.3 | Confident | 72 Ų | 72 | 86.6 Ų | 86.6 | 32% | 0.316 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.7 | -176.9 | -104 | 0 | 0 | 0 | 111.1 | C12 P13 E19 L20 V21 L32 | C12-F17 HydrophobicContact CB-CB 4.5Å; P13-F17 PolarHBondContact O-N 3.2Å; F17-E19 VanDerWaalsContact C-N 3.28Å; F17-E19 PolarHBondContact O-N 3.33Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.07Å; F17-L20 VanDerWaalsContact O-N 3.15Å; F17-V21 HydrophobicContact CD1-CG1 4.26Å; F17-V21 HydrophobicContact CE1-CG1 3.79Å; F17-V21 HydrophobicContact CE2-CG1 4.16Å; F17-V21 HydrophobicContact CZ-CG1 3.74Å; F17-V21 WeakPolarHBondContact O-CG1 3.31Å; F17-V21 PolarHBondContact O-N 3.44Å; F17-L32 HydrophobicContact CD2-CD2 4.39Å; F17-L32 HydrophobicContact CE2-CD1 4.17Å; F17-L32 HydrophobicContact CE2-CD2 3.63Å |
| 18 | N | 92.6 | Very high | 87.6 | Confident | 77 Ų | 77 | 87.1 Ų | 87.1 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -32.1 | 176.8 | -79.1 | -47.2 | 0 | 0 | 0 | 113.2 | D14 P15 L16 V21 K22 | D14-N18 WeakPolarHBondContact O-CB 3.49Å; D14-N18 PolarHBondContact O-N 3.19Å; D14-N18 PolarHBondContact O-ND2 3.29Å; P15-N18 PolarHBondContact O-N 3.01Å; L16-N18 VanDerWaalsContact C-N 3.34Å; L16-N18 PolarHBondContact O-N 3.03Å; N18-V21 VanDerWaalsContact O-CG2 3.25Å; N18-V21 WeakPolarHBondContact O-CG2 3.27Å; N18-K22 WeakPolarHBondContact O-CD 3.4Å; N18-K22 VanDerWaalsContact O-CG 3.25Å; N18-K22 WeakPolarHBondContact O-CG 3.16Å; N18-K22 PolarHBondContact O-N 3.4Å |
| 19 | E | 94.2 | Very high | 88.2 | Confident | 135 Ų | 135 | 84.7 Ų | 84.7 | 63% | 0.631 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -70.3 | -44.9 | 172.1 | -171.1 | 176.7 | 170 | 0 | 0 | 111.3 | P15 L16 F17 V21 K22 S23 | P15-E19 PolarHBondContact O-N 3.48Å; L16-E19 PolarHBondContact O-N 2.77Å; F17-E19 VanDerWaalsContact C-N 3.28Å; F17-E19 PolarHBondContact O-N 3.33Å; E19-V21 PolarHBondContact O-N 2.7Å; E19-K22 PolarHBondContact O-N 3.34Å; E19-K22 VanDerWaalsContact O-N 3.16Å; E19-S23 PolarHBondContact O-N 3.47Å |
| 20 | L | 91.1 | Very high | 89.4 | Confident | 40 Ų | 40 | 88.7 Ų | 88.7 | 21% | 0.209 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 178.9 | -179.8 | 62.3 | 0 | 0 | 0 | 112.1 | F7 L16 F17 K22 S23 L32 | F7-L20 HydrophobicContact CE2-CD2 4.45Å; F7-L20 HydrophobicContact CZ-CD2 3.84Å; L16-L20 WeakPolarHBondContact O-CB 3.13Å; L16-L20 PolarHBondContact O-N 2.82Å; F17-L20 WeakPolarHBondContact O-CB 3.49Å; F17-L20 PolarHBondContact O-N 3.07Å; F17-L20 VanDerWaalsContact O-N 3.15Å; L20-K22 VanDerWaalsContact C-N 3.27Å; L20-K22 PolarHBondContact O-N 2.8Å; L20-S23 WeakPolarHBondContact O-CB 3.49Å; L20-S23 PolarHBondContact O-N 2.9Å; L20-S23 VanDerWaalsContact O-N 3.16Å; L20-S23 PolarHBondContact O-OG 2.84Å; L20-L32 HydrophobicContact CD2-CD1 3.59Å |
| 21 | V | 92.4 | Very high | 90.7 | Very high | 63 Ų | 63 | 90.7 Ų | 90.7 | 38% | 0.382 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66.3 | -29.1 | 178.9 | -60.4 | 0 | 0 | 0 | 0 | 112.6 | F17 N18 E19 S26 | F17-V21 HydrophobicContact CD1-CG1 4.26Å; F17-V21 HydrophobicContact CE1-CG1 3.79Å; F17-V21 HydrophobicContact CE2-CG1 4.16Å; F17-V21 HydrophobicContact CZ-CG1 3.74Å; F17-V21 WeakPolarHBondContact O-CG1 3.31Å; F17-V21 PolarHBondContact O-N 3.44Å; N18-V21 VanDerWaalsContact O-CG2 3.25Å; N18-V21 WeakPolarHBondContact O-CG2 3.27Å; E19-V21 PolarHBondContact O-N 2.7Å; V21-S26 VanDerWaalsContact O-CB 3.31Å; V21-S26 WeakPolarHBondContact O-CB 3.5Å; V21-S26 PolarHBondContact O-OG 3.35Å; V21-S26 VanDerWaalsContact O-OG 3.07Å |
| 22 | K | 94.5 | Very high | 91.7 | Very high | 174 Ų | 174 | 90.8 Ų | 90.8 | 76% | 0.757 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -80.8 | -18.1 | 175.5 | -69.8 | 171.9 | -171.4 | 171.4 | 0 | 113.2 | N18 E19 L20 | N18-K22 WeakPolarHBondContact O-CD 3.4Å; N18-K22 VanDerWaalsContact O-CG 3.25Å; N18-K22 WeakPolarHBondContact O-CG 3.16Å; N18-K22 PolarHBondContact O-N 3.4Å; E19-K22 PolarHBondContact O-N 3.34Å; E19-K22 VanDerWaalsContact O-N 3.16Å; L20-K22 VanDerWaalsContact C-N 3.27Å; L20-K22 PolarHBondContact O-N 2.8Å |
| 23 | S | 94.3 | Very high | 92.1 | Very high | 36 Ų | 36 | 92.8 Ų | 92.8 | 25% | 0.252 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -68.3 | 164.4 | -179.9 | 80.7 | 0 | 0 | 0 | 0 | 112.6 | E19 L20 T25 S26 | E19-S23 PolarHBondContact O-N 3.47Å; L20-S23 WeakPolarHBondContact O-CB 3.49Å; L20-S23 PolarHBondContact O-N 2.9Å; L20-S23 VanDerWaalsContact O-N 3.16Å; L20-S23 PolarHBondContact O-OG 2.84Å; S23-T25 PolarHBondContact O-N 3.43Å; S23-T25 VanDerWaalsContact OG-CB 3.29Å; S23-T25 WeakPolarHBondContact OG-CB 3.42Å; S23-T25 PolarHBondContact OG-N 3.24Å; S23-T25 PolarHBondContact OG-OG1 3.2Å; S23-S26 PolarHBondContact O-N 3.34Å; S23-S26 PolarHBondContact O-OG 3.17Å |
| 24 | R | 93.5 | Very high | 92.3 | Very high | 229 Ų | 229 | 92.9 Ų | 92.9 | 86% | 0.864 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -64.7 | -21.6 | 171.6 | -64.9 | -177.8 | -176.2 | -178.3 | 1.9 | 112.4 | S26 K27 | R24-S26 VanDerWaalsContact C-N 3.29Å; R24-S26 PolarHBondContact O-N 3.19Å; R24-K27 PolarHBondContact O-N 2.79Å |
| 25 | T | 91.3 | Very high | 92.2 | Very high | 57 Ų | 57 | 90.8 Ų | 90.8 | 35% | 0.35 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -69.3 | -26.9 | -176.3 | -45.5 | 0 | 0 | 0 | 0 | 112.1 | L3 S23 K27 V28 T29 | L3-T25 HydrophobicContact CD2-CG2 3.22Å; S23-T25 PolarHBondContact O-N 3.43Å; S23-T25 VanDerWaalsContact OG-CB 3.29Å; S23-T25 WeakPolarHBondContact OG-CB 3.42Å; S23-T25 PolarHBondContact OG-N 3.24Å; S23-T25 PolarHBondContact OG-OG1 3.2Å; T25-K27 VanDerWaalsContact C-N 3.25Å; T25-K27 PolarHBondContact O-N 3.1Å; T25-V28 HydrophobicContact CG2-CG2 4.37Å; T25-V28 WeakPolarHBondContact O-CG2 3.38Å; T25-V28 PolarHBondContact O-N 3.33Å; T25-V28 VanDerWaalsContact O-N 3.14Å; T25-T29 PolarHBondContact O-N 3.49Å; T25-T29 VanDerWaalsContact O-N 3.14Å; T25-T29 PolarHBondContact O-OG1 2.62Å |
| 26 | S | 91.9 | Very high | 92 | Very high | 46 Ų | 46 | 88.1 Ų | 88.1 | 32% | 0.322 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -57.8 | -37.6 | 176.3 | 65 | 0 | 0 | 0 | 0 | 112.4 | V21 S23 R24 V28 T29 | V21-S26 VanDerWaalsContact O-CB 3.31Å; V21-S26 WeakPolarHBondContact O-CB 3.5Å; V21-S26 PolarHBondContact O-OG 3.35Å; V21-S26 VanDerWaalsContact O-OG 3.07Å; S23-S26 PolarHBondContact O-N 3.34Å; S23-S26 PolarHBondContact O-OG 3.17Å; R24-S26 VanDerWaalsContact C-N 3.29Å; R24-S26 PolarHBondContact O-N 3.19Å; S26-V28 PolarHBondContact O-N 3.34Å; S26-T29 PolarHBondContact O-N 2.93Å |
| 27 | K | 92.4 | Very high | 92 | Very high | 187 Ų | 187 | 86.6 Ų | 86.6 | 81% | 0.813 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -66 | -23.2 | -179.5 | -61.7 | -176.1 | -179.3 | -177.9 | 0 | 114.2 | R24 T25 | R24-K27 PolarHBondContact O-N 2.79Å; T25-K27 VanDerWaalsContact C-N 3.25Å; T25-K27 PolarHBondContact O-N 3.1Å |
| 28 | V | 95.1 | Very high | 92.2 | Very high | 62 Ų | 62 | 83.6 Ų | 83.6 | 38% | 0.376 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -106.2 | -5.3 | -179.6 | -63.4 | 0 | 0 | 0 | 0 | 112.8 | M1 S2 L3 T25 S26 | M1-V28 WeakPolarHBondContact O-CB 3.48Å; S2-V28 WeakPolarHBondContact CA-O 3.47Å; L3-V28 HydrophobicContact CB-CG2 4.35Å; L3-V28 PolarHBondContact N-O 3.36Å; T25-V28 HydrophobicContact CG2-CG2 4.37Å; T25-V28 WeakPolarHBondContact O-CG2 3.38Å; T25-V28 PolarHBondContact O-N 3.33Å; T25-V28 VanDerWaalsContact O-N 3.14Å; S26-V28 PolarHBondContact O-N 3.34Å |
| 29 | T | 93.1 | Very high | 92.4 | Very high | 31 Ų | 31 | 81.2 Ų | 81.2 | 19% | 0.19 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 122.4 | 179.1 | -58.4 | 0 | 0 | 0 | 0 | 110 | L3 V5 T25 S26 T31 L32 | L3-T29 CarbonylContact O-C 3.58Å; L3-T29 WeakPolarHBondContact O-CA 3.48Å; V5-T29 HydrophobicContact CG2-CG2 4.25Å; T25-T29 PolarHBondContact O-N 3.49Å; T25-T29 VanDerWaalsContact O-N 3.14Å; T25-T29 PolarHBondContact O-OG1 2.62Å; S26-T29 PolarHBondContact O-N 2.93Å; T29-T31 WeakPolarHBondContact CG2-O 3.37Å; T29-L32 HydrophobicContact CG2-CB 4.01Å; T29-L32 HydrophobicContact CG2-CD1 4.37Å |
| 30 | K | 95.1 | Very high | 92.5 | Very high | 164 Ų | 164 | 78.7 Ų | 78.7 | 71% | 0.713 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.4 | -37.5 | 179.3 | -70.5 | -61.9 | -173.6 | -176.8 | 0 | 112.5 | L3 | L3-K30 PolarHBondContact O-N 2.98Å |
| 31 | T | 92.6 | Very high | 92.8 | Very high | 55 Ų | 55 | 81.5 Ų | 81.5 | 34% | 0.337 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 133.3 | 177.3 | -49 | 0 | 0 | 0 | 0 | 107.7 | N4 V5 F6 T29 T33 | N4-T31 VanDerWaalsContact OD1-CB 3.29Å; N4-T31 WeakPolarHBondContact OD1-CB 3.46Å; N4-T31 PolarHBondContact OD1-N 3.33Å; N4-T31 PolarHBondContact OD1-OG1 3.4Å; V5-T31 PolarHBondContact N-O 2.87Å; F6-T31 HydrophobicContact CE1-CG2 4.28Å; F6-T31 HydrophobicContact CZ-CG2 4.13Å; T29-T31 WeakPolarHBondContact CG2-O 3.37Å; T31-T33 HydrophobicContact CG2-CG2 4.26Å |
| 32 | L | 91.4 | Very high | 93 | Very high | 68 Ų | 68 | 80.9 Ų | 80.9 | 36% | 0.356 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 111 | 171.3 | -174.5 | 146 | 0 | 0 | 0 | 106.9 | V5 F7 F17 L20 T29 | V5-L32 WeakPolarHBondContact O-CA 3.45Å; F7-L32 HydrophobicContact CE2-CD1 4.19Å; F7-L32 HydrophobicContact CE2-CD2 4.11Å; F7-L32 HydrophobicContact CE2-CG 4Å; F17-L32 HydrophobicContact CD2-CD2 4.39Å; F17-L32 HydrophobicContact CE2-CD1 4.17Å; F17-L32 HydrophobicContact CE2-CD2 3.63Å; L20-L32 HydrophobicContact CD2-CD1 3.59Å; T29-L32 HydrophobicContact CG2-CB 4.01Å; T29-L32 HydrophobicContact CG2-CD1 4.37Å |
| 33 | T | 90.6 | Very high | 93.2 | Very high | 61 Ų | 61 | 73.2 Ų | 73.2 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 165.7 | -175.1 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | V5 F6 F7 T31 | V5-T33 PolarHBondContact O-N 3.25Å; V5-T33 VanDerWaalsContact O-N 3.1Å; F6-T33 CarbonylContact C-O 3.56Å; F6-T33 WeakPolarHBondContact CA-O 3.39Å; F6-T33 HydrophobicContact CD1-CG2 3.25Å; F6-T33 HydrophobicContact CE1-CG2 3.47Å; F6-T33 VanDerWaalsContact CE1-CG2 3.47Å; F6-T33 HydrophobicContact CG-CG2 4.23Å; F7-T33 PolarHBondContact N-O 2.86Å; T31-T33 HydrophobicContact CG2-CG2 4.26Å |
| 34 | E | 88.3 | Confident | 93.3 | Very high | 74 Ų | 74 | 75.1 Ų | 75.1 | 35% | 0.346 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 127.3 | -177.1 | -55.8 | -178.4 | 162.3 | 0 | 0 | 107.8 | F7 A11 C12 | F7-E34 HydrophobicContact CB-CG 4.22Å; F7-E34 HydrophobicContact CD2-CG 4.32Å; A11-E34 WeakPolarHBondContact CA-OE1 3.42Å; C12-E34 PolarHBondContact N-OE1 3.46Å |
| 35 | I | 87.8 | Confident | 93.6 | Very high | 77 Ų | 77 | 65.2 Ų | 65.2 | 40% | 0.395 | 35% | 0.348 | S | S | . | . | trans | -90.5 | -19.5 | 179.4 | 60.4 | 165.9 | 0 | 0 | 0 | 112.3 | F6 F7 V8 I37 | F6-I35 HydrophobicContact CB-CG2 4.29Å; F6-I35 HydrophobicContact CD1-CG2 4.15Å; F7-I35 VanDerWaalsContact O-CG1 3.3Å; F7-I35 WeakPolarHBondContact O-CG1 3.46Å; F7-I35 PolarHBondContact O-N 2.71Å; V8-I35 HydrophobicContact CB-CD1 4.36Å; V8-I35 HydrophobicContact CG1-CD1 4.34Å; V8-I35 HydrophobicContact CG2-CD1 4.05Å; I35-I37 HydrophobicContact CD1-CB 4.35Å; I35-I37 PolarHBondContact O-N 2.92Å | ||
| 36 | N | 86.9 | Confident | 93.9 | Very high | 42 Ų | 42 | 62.6 Ų | 62.6 | 23% | 0.225 | 33% | 0.332 | C | S | . | . | trans | 53.5 | 50.4 | 179.9 | -65.4 | -51.4 | 0 | 0 | 0 | 113.1 | T80 Y114 | N36-T80 HydrophobicContact CB-CG2 4.47Å; N36-T80 VanDerWaalsContact O-CB 3.28Å; N36-T80 WeakPolarHBondContact O-CB 3.3Å; N36-Y114 HydrophobicContact CB-CE1 4.38Å; N36-Y114 PolarHBondContact OD1-OH 2.87Å | ||
| 37 | I | 92.2 | Very high | 94.2 | Very high | 68 Ų | 68 | 60.6 Ų | 60.6 | 35% | 0.349 | 32% | 0.317 | S | S | . | . | trans | -131.9 | 92.9 | 175.3 | -58.2 | 174.6 | 0 | 0 | 0 | 107.2 | V8 I35 F39 | V8-I37 WeakPolarHBondContact CG1-O 3.46Å; V8-I37 CarbonylContact O-C 3.56Å; V8-I37 PolarHBondContact O-N 2.79Å; I35-I37 HydrophobicContact CD1-CB 4.35Å; I35-I37 PolarHBondContact O-N 2.92Å; I37-F39 HydrophobicContact CG2-CD1 4.22Å; I37-F39 HydrophobicContact CG2-CE1 3.86Å; I37-F39 HydrophobicContact CG2-CZ 4.32Å | ||
| 38 | A | 94.4 | Very high | 94.5 | Very high | 9 Ų | 9 | 52.2 Ų | 52.2 | 7% | 0.074 | 28% | 0.282 | C | S | . | . | trans | -116.1 | 40.3 | -174 | 0 | 0 | 0 | 0 | 0 | 112.3 | F9 Q77 T80 | F9-A38 HydrophobicContact CD2-CB 4.09Å; A38-Q77 HydrophobicContact CB-CB 4.38Å; A38-Q77 HydrophobicContact CB-CG 3.87Å; A38-Q77 WeakPolarHBondContact O-CB 3.18Å; A38-Q77 VanDerWaalsContact O-CG 3.27Å; A38-Q77 WeakPolarHBondContact O-CG 3.4Å; A38-Q77 PolarHBondContact O-NE2 3.45Å; A38-T80 HydrophobicContact CB-CG2 4Å; A38-T80 PolarHBondContact N-OG1 3.49Å | ||
| 39 | F | 96.2 | Very high | 94.6 | Very high | 27 Ų | 27 | 49.3 Ų | 49.3 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -143.3 | 159 | 176.5 | 68.1 | -85 | 0 | 0 | 0 | 110.3 | I37 P41 L49 L81 T84 | I37-F39 HydrophobicContact CG2-CD1 4.22Å; I37-F39 HydrophobicContact CG2-CE1 3.86Å; I37-F39 HydrophobicContact CG2-CZ 4.32Å; F39-P41 HydrophobicContact CE2-CB 4.38Å; F39-L49 HydrophobicContact CB-CD2 3.76Å; F39-L81 HydrophobicContact CD1-CB 3.94Å; F39-L81 HydrophobicContact CD1-CD1 4.3Å; F39-L81 HydrophobicContact CD2-CD1 4.02Å; F39-L81 HydrophobicContact CE1-CB 4.03Å; F39-L81 HydrophobicContact CE1-CD1 3.94Å; F39-L81 HydrophobicContact CE2-CD1 3.61Å; F39-L81 HydrophobicContact CG-CB 4.38Å; F39-L81 HydrophobicContact CG-CD1 4.35Å; F39-L81 HydrophobicContact CZ-CD1 3.57Å; F39-T84 HydrophobicContact CZ-CG2 4.38Å |
| 40 | L | 96.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 52.8 Ų | 52.8 | 43% | 0.429 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 122 | 173.9 | -57 | -176 | 0 | 0 | 0 | 109.7 | Y42 Y47 S48 D50 | L40-Y42 VanDerWaalsContact C-N 3.26Å; L40-Y42 PolarHBondContact O-N 3.34Å; L40-Y47 CarbonylContact O-C 3.5Å; L40-Y47 VanDerWaalsContact O-CA 3.28Å; L40-Y47 WeakPolarHBondContact O-CA 3.01Å; L40-S48 PolarHBondContact N-O 3.15Å; L40-S48 PolarHBondContact O-N 3.23Å; L40-D50 HydrophobicContact CD1-CB 3.71Å; L40-D50 HydrophobicContact CG-CB 4.17Å |
| 41 | P | 97.1 | Very high | 94.8 | Very high | 99 Ų | 99 | 45.6 Ų | 45.6 | 64% | 0.643 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | 79 | 170 | 32.4 | -33.4 | 0 | 0 | 0 | 109.4 | F39 E43 | F39-P41 HydrophobicContact CE2-CB 4.38Å; P41-E43 VanDerWaalsContact C-N 3.35Å; P41-E43 PolarHBondContact O-N 3.3Å |
| 42 | Y | 97.8 | Very high | 95 | Very high | 50 Ų | 50 | 45.7 Ų | 45.7 | 20% | 0.196 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | -41.8 | -174.3 | -175.9 | -110.5 | 0 | 0 | 0 | 112.1 | L40 V46 D164 F449 M452 I474 | L40-Y42 VanDerWaalsContact C-N 3.26Å; L40-Y42 PolarHBondContact O-N 3.34Å; Y42-V46 HydrophobicContact CD1-CB 4.47Å; Y42-V46 HydrophobicContact CD1-CG1 4.1Å; Y42-V46 PolarHBondContact N-O 3.33Å; Y42-D164 WeakPolarHBondContact CE2-OD2 3.33Å; Y42-D164 PolarHBondContact OH-OD1 3.03Å; Y42-F449 HydrophobicContact CE1-CE1 4.31Å; Y42-M452 HydrophobicContact CD1-CE 3.93Å; Y42-M452 HydrophobicContact CE1-CE 3.69Å; Y42-I474 HydrophobicContact CD1-CG1 3.98Å; Y42-I474 HydrophobicContact CE1-CG1 4.09Å; Y42-I474 HydrophobicContact CG-CG1 4.4Å |
| 43 | E | 98.4 | Very high | 95 | Very high | 13 Ų | 13 | 47.6 Ų | 47.6 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 173.9 | 169.6 | -56.7 | -169.6 | 145.6 | 0 | 0 | 110.1 | P41 Q45 V46 Q152 E185 R194 M452 Y456 | P41-E43 VanDerWaalsContact C-N 3.35Å; P41-E43 PolarHBondContact O-N 3.3Å; E43-Q45 PolarHBondContact O-N 2.91Å; E43-Q45 VanDerWaalsContact O-N 3.13Å; E43-V46 HydrophobicContact CB-CB 3.82Å; E43-V46 HydrophobicContact CB-CG2 3.98Å; E43-V46 HydrophobicContact CG-CB 4.15Å; E43-V46 HydrophobicContact CG-CG2 4.25Å; E43-V46 PolarHBondContact N-O 3.41Å; E43-V46 PolarHBondContact O-N 2.76Å; E43-V46 VanDerWaalsContact O-N 3.15Å; E43-V46 WeakPolarHBondContact OE2-CG2 3.25Å; E43-Q152 PolarHBondContact OE1-NE2 3.04Å; E43-E185 WeakPolarHBondContact CA-OE1 3.18Å; E43-E185 VanDerWaalsContact CB-OE1 3.27Å; E43-E185 WeakPolarHBondContact CB-OE1 3.2Å; E43-R194 VanDerWaalsContact CD-CZ 3.48Å; E43-R194 IonicContact OE1-CZ 3.64Å; E43-R194 IonicContact OE1-NE 3.54Å; E43-R194 IonicContact OE1-NH1 2.84Å; E43-R194 PolarHBondContact OE1-NH1 3.37Å; E43-R194 IonicContact OE2-CZ 3.73Å; E43-R194 IonicContact OE2-NE 3.79Å; E43-R194 IonicContact OE2-NH1 3.81Å; E43-R194 PolarHBondContact OE2-NH1 2.97Å; E43-R194 IonicContact OE2-NH2 2.76Å; E43-M452 HydrophobicContact CG-CE 4.25Å; E43-Y456 WeakPolarHBondContact CB-OH 3.23Å; E43-Y456 WeakPolarHBondContact OE2-CE2 3.24Å; E43-Y456 PolarHBondContact OE2-OH 3.04Å |
| 44 | S | 97 | Very high | 95.2 | Very high | 77 Ų | 77 | 44.7 Ų | 44.7 | 54% | 0.538 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -31.1 | 178.5 | 45.4 | 0 | 0 | 0 | 0 | 114.7 | E185 Y456 | S44-E185 PolarHBondContact N-OE1 3.17Å; S44-E185 PolarHBondContact OG-OE1 3.46Å; S44-Y456 PolarHBondContact OG-OH 3.23Å |
| 45 | Q | 98.1 | Very high | 95.6 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 9% | 0.093 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -121.6 | 14.3 | 174.9 | -65.4 | 177.9 | -123.5 | 0 | 0 | 113.3 | E43 A455 Y456 T459 A467 I468 I469 | E43-Q45 PolarHBondContact O-N 2.91Å; E43-Q45 VanDerWaalsContact O-N 3.13Å; Q45-A455 PolarHBondContact NE2-O 3.26Å; Q45-A455 VanDerWaalsContact NE2-O 3.17Å; Q45-Y456 HydrophobicContact CB-CD1 4.31Å; Q45-Y456 HydrophobicContact CB-CE1 3.72Å; Q45-Y456 HydrophobicContact CB-CE2 4.24Å; Q45-Y456 HydrophobicContact CG-CD1 4.19Å; Q45-Y456 HydrophobicContact CG-CE1 3.79Å; Q45-Y456 PolarHBondContact N-OH 3.18Å; Q45-T459 PolarHBondContact NE2-OG1 3.24Å; Q45-A467 PolarHBondContact NE2-O 3.24Å; Q45-I468 WeakPolarHBondContact O-CA 3.41Å; Q45-I469 PolarHBondContact O-N 3.01Å |
| 46 | V | 98.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 38.8 Ų | 38.8 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 129.9 | -177.8 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | Y42 E43 M452 Y456 I469 I474 | Y42-V46 HydrophobicContact CD1-CB 4.47Å; Y42-V46 HydrophobicContact CD1-CG1 4.1Å; Y42-V46 PolarHBondContact N-O 3.33Å; E43-V46 HydrophobicContact CB-CB 3.82Å; E43-V46 HydrophobicContact CB-CG2 3.98Å; E43-V46 HydrophobicContact CG-CB 4.15Å; E43-V46 HydrophobicContact CG-CG2 4.25Å; E43-V46 PolarHBondContact N-O 3.41Å; E43-V46 PolarHBondContact O-N 2.76Å; E43-V46 VanDerWaalsContact O-N 3.15Å; E43-V46 WeakPolarHBondContact OE2-CG2 3.25Å; V46-M452 HydrophobicContact CB-CE 4.35Å; V46-M452 HydrophobicContact CG1-CE 4.05Å; V46-M452 HydrophobicContact CG1-CG 3.9Å; V46-M452 HydrophobicContact CG1-SD 4.17Å; V46-M452 HydrophobicContact CG2-CB 3.97Å; V46-M452 HydrophobicContact CG2-CE 3.93Å; V46-M452 HydrophobicContact CG2-CG 3.9Å; V46-Y456 HydrophobicContact CG2-CE2 4Å; V46-I469 CarbonylContact C-O 3.6Å; V46-I469 WeakPolarHBondContact CA-O 3.5Å; V46-I469 HydrophobicContact CG2-CG2 3.96Å; V46-I474 HydrophobicContact CG1-CD1 3.95Å |
| 47 | Y | 98.6 | Very high | 96.2 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 148.9 | 173.9 | 69.1 | -84.7 | 0 | 0 | 0 | 112.7 | L40 L49 L78 L81 V441 F442 I468 I469 G470 S471 | L40-Y47 CarbonylContact O-C 3.5Å; L40-Y47 VanDerWaalsContact O-CA 3.28Å; L40-Y47 WeakPolarHBondContact O-CA 3.01Å; Y47-L49 HydrophobicContact CD2-CD2 4.05Å; Y47-L49 HydrophobicContact CE2-CD2 4.21Å; Y47-L78 HydrophobicContact CE2-CD2 3.7Å; Y47-L78 WeakPolarHBondContact OH-CD2 3.15Å; Y47-L81 HydrophobicContact CD1-CD2 3.65Å; Y47-L81 HydrophobicContact CD2-CD2 3.93Å; Y47-L81 HydrophobicContact CE1-CD2 3.46Å; Y47-L81 VanDerWaalsContact CE1-CD2 3.46Å; Y47-L81 HydrophobicContact CE2-CD2 3.76Å; Y47-L81 HydrophobicContact CG-CD2 3.87Å; Y47-V441 PolarHBondContact OH-O 3.26Å; Y47-F442 AromaticContact CE2-CD2 3.93Å; Y47-F442 HydrophobicContact CE2-CD2 3.93Å; Y47-F442 HydrophobicContact CE2-CE2 4.46Å; Y47-F442 WeakPolarHBondContact OH-CB 3.38Å; Y47-I468 HydrophobicContact CD1-CG2 3.67Å; Y47-I468 HydrophobicContact CE1-CG2 3.96Å; Y47-I469 WeakPolarHBondContact CD1-O 3.25Å; Y47-I469 PolarHBondContact N-O 3.35Å; Y47-G470 VanDerWaalsContact CE1-CA 3.47Å; Y47-G470 VanDerWaalsContact CE1-N 3.3Å; Y47-G470 WeakPolarHBondContact O-CA 3.49Å; Y47-S471 PolarHBondContact O-N 3.01Å |
| 48 | S | 98.5 | Very high | 96.3 | Very high | 10 Ų | 10 | 34.1 Ų | 34.1 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.7 | 173.5 | 177.7 | 0 | 0 | 0 | 0 | 110 | L40 D50 | L40-S48 PolarHBondContact N-O 3.15Å; L40-S48 PolarHBondContact O-N 3.23Å; S48-D50 VanDerWaalsContact C-N 3.33Å; S48-D50 PolarHBondContact OG-N 3.46Å; S48-D50 VanDerWaalsContact OG-N 3.16Å |
| 49 | L | 97.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | trans | -92.4 | 3.2 | 172.4 | -56.2 | -170.8 | 0 | 0 | 0 | 113.4 | F39 Y47 N51 L74 Q77 L78 F442 S471 | F39-L49 HydrophobicContact CB-CD2 3.76Å; Y47-L49 HydrophobicContact CD2-CD2 4.05Å; Y47-L49 HydrophobicContact CE2-CD2 4.21Å; L49-N51 PolarHBondContact O-N 2.91Å; L49-L74 HydrophobicContact CB-CD2 4.35Å; L49-L74 HydrophobicContact CD1-CB 4.38Å; L49-L74 HydrophobicContact CD1-CD2 3.76Å; L49-Q77 HydrophobicContact CD1-CB 4.08Å; L49-Q77 HydrophobicContact CD2-CB 3.85Å; L49-Q77 HydrophobicContact CG-CB 4.45Å; L49-Q77 PolarHBondContact O-NE2 3.46Å; L49-L78 HydrophobicContact CD1-CD2 4.2Å; L49-L78 HydrophobicContact CD1-CG 4.1Å; L49-F442 HydrophobicContact CD1-CD2 4.37Å; L49-F442 HydrophobicContact CD1-CE2 3.38Å; L49-F442 HydrophobicContact CD1-CZ 3.54Å; L49-F442 HydrophobicContact CG-CE2 3.85Å; L49-F442 HydrophobicContact CG-CZ 4.4Å; L49-S471 PolarHBondContact N-O 3.09Å | ||
| 50 | D | 96.6 | Very high | 96.3 | Very high | 105 Ų | 105 | 33 Ų | 33 | 56% | 0.561 | 19% | 0.186 | S | C | * | . | trans | 50.6 | 51.2 | 176.8 | -163.2 | 34.7 | 0 | 0 | 0 | 113.1 | L40 S48 T472 | L40-D50 HydrophobicContact CD1-CB 3.71Å; L40-D50 HydrophobicContact CG-CB 4.17Å; S48-D50 VanDerWaalsContact C-N 3.33Å; S48-D50 PolarHBondContact OG-N 3.46Å; S48-D50 VanDerWaalsContact OG-N 3.16Å; D50-T472 PolarHBondContact N-O 3.06Å; D50-T472 VanDerWaalsContact N-O 3.15Å | ||
| 51 | N | 95.6 | Very high | 95.9 | Very high | 13 Ų | 13 | 32.2 Ų | 32.2 | 7% | 0.07 | 19% | 0.186 | C | C | . | . | trans | -140.2 | 68.6 | -177.3 | -168.9 | -3.5 | 0 | 0 | 0 | 111.2 | L49 D53 A54 T472 | L49-N51 PolarHBondContact O-N 2.91Å; N51-D53 PolarHBondContact O-N 2.63Å; N51-A54 HydrophobicContact CB-CB 4.38Å; N51-A54 WeakPolarHBondContact O-CB 3.14Å; N51-A54 PolarHBondContact O-N 3.45Å; N51-A54 VanDerWaalsContact O-N 3.15Å; N51-A54 PolarHBondContact OD1-N 3.13Å; N51-T472 PolarHBondContact N-O 2.72Å; N51-T472 WeakPolarHBondContact O-CB 3.19Å | ||
| 52 | P | 94.9 | Very high | 95.6 | Very high | 56 Ų | 56 | 33 Ų | 33 | 36% | 0.364 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -33.9 | 176.7 | 24.3 | -33.2 | 0 | 0 | 0 | 112.6 | A54 F55 H473 | P52-A54 PolarHBondContact O-N 3.45Å; P52-A54 VanDerWaalsContact O-N 3.09Å; P52-F55 WeakPolarHBondContact O-CB 3.21Å; P52-F55 PolarHBondContact O-N 2.88Å; P52-H473 HydrophobicContact CB-CB 4.29Å |
| 53 | D | 93 | Very high | 95 | Very high | 109 Ų | 109 | 32.4 Ų | 32.4 | 58% | 0.583 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.1 | 177.7 | -67.5 | -28.9 | 0 | 0 | 0 | 114 | N51 F55 H56 S57 | N51-D53 PolarHBondContact O-N 2.63Å; D53-F55 PolarHBondContact O-N 2.9Å; D53-H56 PolarHBondContact O-N 3.43Å; D53-S57 PolarHBondContact O-N 3.31Å; D53-S57 PolarHBondContact O-OG 3Å |
| 54 | A | 94.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -57.9 | -32.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | N51 P52 H56 S57 F58 V70 T472 | N51-A54 HydrophobicContact CB-CB 4.38Å; N51-A54 WeakPolarHBondContact O-CB 3.14Å; N51-A54 PolarHBondContact O-N 3.45Å; N51-A54 VanDerWaalsContact O-N 3.15Å; N51-A54 PolarHBondContact OD1-N 3.13Å; P52-A54 PolarHBondContact O-N 3.45Å; P52-A54 VanDerWaalsContact O-N 3.09Å; A54-H56 PolarHBondContact O-N 3.12Å; A54-S57 PolarHBondContact O-N 3.42Å; A54-F58 HydrophobicContact CB-CD2 4.37Å; A54-F58 HydrophobicContact CB-CE2 4.49Å; A54-F58 VanDerWaalsContact O-CD2 3.23Å; A54-F58 WeakPolarHBondContact O-CD2 3.28Å; A54-F58 PolarHBondContact O-N 3.26Å; A54-V70 HydrophobicContact CB-CG1 3.99Å; A54-T472 HydrophobicContact CB-CG2 3.65Å |
| 55 | F | 96 | Very high | 93.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -51.1 | 177.7 | -173.2 | -94.5 | 0 | 0 | 0 | 111.6 | P52 D53 F58 Y59 L348 G445 L480 Q483 L484 M487 | P52-F55 WeakPolarHBondContact O-CB 3.21Å; P52-F55 PolarHBondContact O-N 2.88Å; D53-F55 PolarHBondContact O-N 2.9Å; F55-F58 PolarHBondContact O-N 3.27Å; F55-Y59 HydrophobicContact CD1-CD2 4.48Å; F55-Y59 AromaticContact CD2-CD2 3.72Å; F55-Y59 HydrophobicContact CD2-CD2 3.72Å; F55-Y59 AromaticContact CD2-CE2 3.95Å; F55-Y59 HydrophobicContact CD2-CE2 3.95Å; F55-Y59 AromaticContact CE2-CD2 3.84Å; F55-Y59 HydrophobicContact CE2-CD2 3.84Å; F55-Y59 HydrophobicContact CE2-CE2 4.12Å; F55-Y59 HydrophobicContact CG-CD2 4.07Å; F55-Y59 HydrophobicContact CZ-CD2 4.29Å; F55-Y59 WeakPolarHBondContact O-CB 3.24Å; F55-Y59 VanDerWaalsContact O-CD2 3.23Å; F55-Y59 WeakPolarHBondContact O-CD2 3.48Å; F55-Y59 PolarHBondContact O-N 3.45Å; F55-L348 HydrophobicContact CE2-CD1 4.33Å; F55-L348 HydrophobicContact CE2-CD2 4.15Å; F55-L348 HydrophobicContact CZ-CD1 3.86Å; F55-L348 HydrophobicContact CZ-CD2 4.23Å; F55-G445 WeakPolarHBondContact CD2-O 3.28Å; F55-L480 HydrophobicContact CE2-CD1 3.92Å; F55-L480 HydrophobicContact CZ-CD1 3.86Å; F55-Q483 HydrophobicContact CD1-CB 3.6Å; F55-Q483 HydrophobicContact CD1-CG 4.29Å; F55-Q483 HydrophobicContact CE1-CB 3.61Å; F55-Q483 HydrophobicContact CG-CB 4.34Å; F55-Q483 HydrophobicContact CZ-CB 4.36Å; F55-L484 HydrophobicContact CE1-CD2 4.31Å; F55-L484 HydrophobicContact CE1-CG 4.47Å; F55-L484 HydrophobicContact CZ-CD2 3.98Å; F55-L484 HydrophobicContact CZ-CG 4.21Å; F55-M487 HydrophobicContact CD1-CE 4.12Å; F55-M487 HydrophobicContact CE1-CE 3.32Å; F55-M487 HydrophobicContact CZ-CE 3.89Å |
| 56 | H | 94.2 | Very high | 93.3 | Very high | 26 Ų | 26 | 42 Ų | 42 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.6 | -36.7 | 176.4 | -61 | 162.2 | 0 | 0 | 0 | 112.2 | D53 A54 F58 S60 K63 Q483 | D53-H56 PolarHBondContact O-N 3.43Å; A54-H56 PolarHBondContact O-N 3.12Å; H56-F58 PolarHBondContact O-N 3.44Å; H56-S60 WeakPolarHBondContact O-CA 3.4Å; H56-S60 WeakPolarHBondContact O-CB 3.44Å; H56-S60 PolarHBondContact O-N 3.24Å; H56-K63 HydrophobicContact CB-CD 3.94Å; H56-Q483 PolarHBondContact NE2-O 2.97Å |
| 57 | S | 93.9 | Very high | 93 | Very high | 8 Ų | 8 | 43.4 Ų | 43.4 | 6% | 0.056 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.5 | -33.2 | 177.9 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | D53 A54 | D53-S57 PolarHBondContact O-N 3.31Å; D53-S57 PolarHBondContact O-OG 3Å; A54-S57 PolarHBondContact O-N 3.42Å |
| 58 | F | 94.8 | Very high | 92.7 | Very high | 5 Ų | 5 | 48 Ų | 48 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -86.5 | -42 | 178.8 | -84.4 | -97.5 | 0 | 0 | 0 | 113.5 | A54 F55 H56 K67 V70 M71 L74 D99 I444 | A54-F58 HydrophobicContact CB-CD2 4.37Å; A54-F58 HydrophobicContact CB-CE2 4.49Å; A54-F58 VanDerWaalsContact O-CD2 3.23Å; A54-F58 WeakPolarHBondContact O-CD2 3.28Å; A54-F58 PolarHBondContact O-N 3.26Å; F55-F58 PolarHBondContact O-N 3.27Å; H56-F58 PolarHBondContact O-N 3.44Å; F58-K67 HydrophobicContact CD1-CD 4.24Å; F58-K67 HydrophobicContact CD1-CG 4.09Å; F58-K67 HydrophobicContact CE1-CG 4.23Å; F58-K67 HydrophobicContact CG-CG 4.41Å; F58-K67 VanDerWaalsContact O-CE 3.23Å; F58-K67 WeakPolarHBondContact O-CE 3.49Å; F58-K67 PolarHBondContact O-NZ 2.99Å; F58-V70 HydrophobicContact CD2-CG1 4.4Å; F58-V70 HydrophobicContact CE2-CB 4.49Å; F58-V70 HydrophobicContact CE2-CG1 3.77Å; F58-M71 HydrophobicContact CE1-CG 3.62Å; F58-M71 HydrophobicContact CE1-SD 4.04Å; F58-M71 HydrophobicContact CE2-CG 4.34Å; F58-M71 HydrophobicContact CZ-CB 4.47Å; F58-M71 HydrophobicContact CZ-CG 3.33Å; F58-M71 HydrophobicContact CZ-SD 4.36Å; F58-L74 HydrophobicContact CE2-CD1 3.65Å; F58-L74 HydrophobicContact CZ-CD1 3.87Å; F58-D99 HydrophobicContact CE1-CB 4.41Å; F58-I444 HydrophobicContact CB-CG2 4.27Å; F58-I444 HydrophobicContact CD1-CD1 4.47Å; F58-I444 HydrophobicContact CD1-CG2 3.67Å; F58-I444 HydrophobicContact CD2-CG2 3.79Å; F58-I444 HydrophobicContact CE1-CD1 3.92Å; F58-I444 HydrophobicContact CE1-CG2 3.79Å; F58-I444 HydrophobicContact CE2-CG2 3.89Å; F58-I444 HydrophobicContact CG-CG2 3.63Å; F58-I444 HydrophobicContact CZ-CD1 4.37Å; F58-I444 HydrophobicContact CZ-CG2 3.86Å |
| 59 | Y | 95.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 2% | 0.024 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -107.7 | -23.6 | -167 | -57.6 | -60.4 | 0 | 0 | 0 | 114.3 | F55 Y97 R137 H347 L348 I444 | F55-Y59 HydrophobicContact CD1-CD2 4.48Å; F55-Y59 AromaticContact CD2-CD2 3.72Å; F55-Y59 HydrophobicContact CD2-CD2 3.72Å; F55-Y59 AromaticContact CD2-CE2 3.95Å; F55-Y59 HydrophobicContact CD2-CE2 3.95Å; F55-Y59 AromaticContact CE2-CD2 3.84Å; F55-Y59 HydrophobicContact CE2-CD2 3.84Å; F55-Y59 HydrophobicContact CE2-CE2 4.12Å; F55-Y59 HydrophobicContact CG-CD2 4.07Å; F55-Y59 HydrophobicContact CZ-CD2 4.29Å; F55-Y59 WeakPolarHBondContact O-CB 3.24Å; F55-Y59 VanDerWaalsContact O-CD2 3.23Å; F55-Y59 WeakPolarHBondContact O-CD2 3.48Å; F55-Y59 PolarHBondContact O-N 3.45Å; Y59-Y97 WeakPolarHBondContact CD1-OH 2.88Å; Y59-Y97 HydrophobicContact CE1-CE1 4.35Å; Y59-Y97 HydrophobicContact CE1-CE2 4.18Å; Y59-Y97 AromaticContact CE1-CZ 3.71Å; Y59-Y97 VanDerWaalsContact CE1-OH 3.28Å; Y59-Y97 WeakPolarHBondContact CE1-OH 3.29Å; Y59-R137 HydrophobicContact CE2-CB 4.21Å; Y59-R137 PolarHBondContact OH-N 2.9Å; Y59-H347 WeakPolarHBondContact O-CB 3.5Å; Y59-L348 HydrophobicContact CD1-CD1 4.15Å; Y59-L348 HydrophobicContact CD1-CG 4.04Å; Y59-L348 HydrophobicContact CD2-CD1 4.15Å; Y59-L348 HydrophobicContact CD2-CG 4.23Å; Y59-L348 HydrophobicContact CE1-CG 4.19Å; Y59-L348 HydrophobicContact CE2-CG 4.38Å; Y59-L348 HydrophobicContact CG-CD1 3.82Å; Y59-L348 HydrophobicContact CG-CG 4.08Å; Y59-I444 PolarHBondContact OH-O 3Å; Y59-I444 VanDerWaalsContact OH-O 3.09Å |
| 60 | S | 93.9 | Very high | 92.4 | Very high | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.042 | 28% | 0.282 | C | S | . | . | trans | -71.3 | 131 | 176.3 | 179 | 0 | 0 | 0 | 0 | 110.7 | H56 H62 K63 M487 | H56-S60 WeakPolarHBondContact O-CA 3.4Å; H56-S60 WeakPolarHBondContact O-CB 3.44Å; H56-S60 PolarHBondContact O-N 3.24Å; S60-H62 PolarHBondContact O-N 2.84Å; S60-H62 PolarHBondContact OG-N 3.08Å; S60-K63 PolarHBondContact O-N 3.01Å; S60-M487 WeakPolarHBondContact CB-O 3.25Å; S60-M487 PolarHBondContact OG-O 2.92Å | ||
| 61 | P | 89.6 | Confident | 92.3 | Very high | 65 Ų | 65 | 47 Ų | 47 | 42% | 0.422 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -63.2 | -23.3 | 174.2 | 26.6 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 62 | H | 89.2 | Confident | 92.3 | Very high | 117 Ų | 117 | 51.3 Ų | 51.3 | 54% | 0.542 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -81.2 | -18.7 | -178.5 | -59.3 | -67.6 | 0 | 0 | 0 | 113.6 | S60 | S60-H62 PolarHBondContact O-N 2.84Å; S60-H62 PolarHBondContact OG-N 3.08Å |
| 63 | K | 87.1 | Confident | 92.3 | Very high | 37 Ų | 37 | 53.9 Ų | 53.9 | 16% | 0.161 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -110.3 | 14.7 | -175 | -62 | -165.7 | 178.7 | -164.9 | 0 | 114.4 | H56 S60 Q65 L66 D491 | H56-K63 HydrophobicContact CB-CD 3.94Å; S60-K63 PolarHBondContact O-N 3.01Å; K63-Q65 PolarHBondContact O-N 3.29Å; K63-L66 HydrophobicContact CB-CD1 4.34Å; K63-L66 HydrophobicContact CD-CD1 4.26Å; K63-L66 HydrophobicContact CG-CD1 4.41Å; K63-L66 WeakPolarHBondContact O-CB 3.42Å; K63-L66 PolarHBondContact O-N 3.14Å; K63-D491 WeakPolarHBondContact CE-OD1 3.43Å; K63-D491 IonicContact NZ-OD1 3.44Å; K63-D491 PolarHBondContact NZ-OD1 3.09Å |
| 64 | A | 82.4 | Confident | 92.5 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 44% | 0.438 | 25% | 0.25 | S | S | . | . | G | 310 helix | trans | -54.3 | -29.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114 | L66 K67 | A64-L66 VanDerWaalsContact C-N 3.35Å; A64-K67 VanDerWaalsContact O-CB 3.32Å; A64-K67 WeakPolarHBondContact O-CB 3.32Å; A64-K67 PolarHBondContact O-N 2.96Å |
| 65 | Q | 86.8 | Confident | 92.7 | Very high | 175 Ų | 175 | 48.7 Ų | 48.7 | 82% | 0.818 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -71.1 | -27 | 178 | -59.1 | -60.1 | -26.1 | 0 | 0 | 113.4 | K63 K67 | K63-Q65 PolarHBondContact O-N 3.29Å; Q65-K67 VanDerWaalsContact C-N 3.28Å |
| 66 | L | 88.6 | Confident | 92.6 | Very high | 83 Ų | 83 | 50.9 Ų | 50.9 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -80.3 | -11.9 | 178.7 | -60.6 | 178.6 | 0 | 0 | 0 | 112.5 | K63 A64 N68 P69 V70 | K63-L66 HydrophobicContact CB-CD1 4.34Å; K63-L66 HydrophobicContact CD-CD1 4.26Å; K63-L66 HydrophobicContact CG-CD1 4.41Å; K63-L66 WeakPolarHBondContact O-CB 3.42Å; K63-L66 PolarHBondContact O-N 3.14Å; A64-L66 VanDerWaalsContact C-N 3.35Å; L66-N68 PolarHBondContact O-N 3.21Å; L66-P69 VanDerWaalsContact O-CD 3.23Å; L66-P69 WeakPolarHBondContact O-CD 3.37Å; L66-P69 VanDerWaalsContact O-CG 3.26Å; L66-P69 WeakPolarHBondContact O-CG 3.48Å; L66-V70 VanDerWaalsContact O-CG2 3.24Å; L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 3.07Å |
| 67 | K | 90.6 | Very high | 92.7 | Very high | 32 Ų | 32 | 50.1 Ų | 50.1 | 14% | 0.139 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | -173.7 | -169.3 | -178.3 | -65.4 | -157.9 | 0 | 113.2 | F58 A64 Q65 V70 M71 D99 | F58-K67 HydrophobicContact CD1-CD 4.24Å; F58-K67 HydrophobicContact CD1-CG 4.09Å; F58-K67 HydrophobicContact CE1-CG 4.23Å; F58-K67 HydrophobicContact CG-CG 4.41Å; F58-K67 VanDerWaalsContact O-CE 3.23Å; F58-K67 WeakPolarHBondContact O-CE 3.49Å; F58-K67 PolarHBondContact O-NZ 2.99Å; A64-K67 VanDerWaalsContact O-CB 3.32Å; A64-K67 WeakPolarHBondContact O-CB 3.32Å; A64-K67 PolarHBondContact O-N 2.96Å; Q65-K67 VanDerWaalsContact C-N 3.28Å; K67-V70 PolarHBondContact O-N 3.33Å; K67-M71 HydrophobicContact CD-CE 4.4Å; K67-M71 HydrophobicContact CG-CE 4.01Å; K67-M71 HydrophobicContact CG-CG 4.47Å; K67-M71 HydrophobicContact CG-SD 4.37Å; K67-M71 WeakPolarHBondContact O-CG 3.44Å; K67-M71 PolarHBondContact O-N 3.2Å; K67-D99 VanDerWaalsContact CD-OD2 3.26Å; K67-D99 WeakPolarHBondContact CD-OD2 3.35Å; K67-D99 IonicContact NZ-OD2 2.72Å; K67-D99 PolarHBondContact NZ-OD2 2.9Å |
| 68 | N | 93.3 | Very high | 92.9 | Very high | 100 Ų | 100 | 49.8 Ų | 49.8 | 54% | 0.535 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.6 | -53.4 | -177.7 | -69.2 | -13.5 | 0 | 0 | 0 | 113.6 | L66 V70 M71 E72 | L66-N68 PolarHBondContact O-N 3.21Å; N68-V70 VanDerWaalsContact C-N 3.26Å; N68-V70 PolarHBondContact O-N 3.06Å; N68-M71 HydrophobicContact CB-CE 4.46Å; N68-M71 WeakPolarHBondContact O-CB 3.49Å; N68-M71 PolarHBondContact O-N 2.98Å; N68-M71 VanDerWaalsContact O-N 3.13Å; N68-M71 WeakPolarHBondContact OD1-CE 3.32Å; N68-E72 PolarHBondContact O-N 3.47Å |
| 69 | P | 93.6 | Very high | 93 | Very high | 72 Ų | 72 | 49.5 Ų | 49.5 | 47% | 0.468 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.2 | -32.3 | 178.1 | 23.5 | -33.4 | 0 | 0 | 0 | 112.4 | L66 R73 | L66-P69 VanDerWaalsContact O-CD 3.23Å; L66-P69 WeakPolarHBondContact O-CD 3.37Å; L66-P69 VanDerWaalsContact O-CG 3.26Å; L66-P69 WeakPolarHBondContact O-CG 3.48Å; P69-R73 PolarHBondContact O-N 3.19Å; P69-R73 VanDerWaalsContact O-N 3.1Å |
| 70 | V | 95.6 | Very high | 93.1 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 13% | 0.127 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -44.7 | 172.9 | 176.8 | 0 | 0 | 0 | 0 | 110.7 | A54 F58 L66 K67 N68 E72 R73 L74 | A54-V70 HydrophobicContact CB-CG1 3.99Å; F58-V70 HydrophobicContact CD2-CG1 4.4Å; F58-V70 HydrophobicContact CE2-CB 4.49Å; F58-V70 HydrophobicContact CE2-CG1 3.77Å; L66-V70 VanDerWaalsContact O-CG2 3.24Å; L66-V70 WeakPolarHBondContact O-CG2 3.36Å; L66-V70 PolarHBondContact O-N 3.07Å; K67-V70 PolarHBondContact O-N 3.33Å; N68-V70 VanDerWaalsContact C-N 3.26Å; N68-V70 PolarHBondContact O-N 3.06Å; V70-E72 PolarHBondContact O-N 3.22Å; V70-R73 PolarHBondContact O-N 3.21Å; V70-L74 HydrophobicContact CG1-CD1 4.21Å; V70-L74 HydrophobicContact CG1-CG 4.2Å; V70-L74 VanDerWaalsContact O-CG 3.3Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.69Å |
| 71 | M | 95.8 | Very high | 93.2 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 176 | -79.6 | -173.7 | -61.1 | 0 | 0 | 112.5 | F58 K67 N68 L74 A75 D99 T102 L103 L106 | F58-M71 HydrophobicContact CE1-CG 3.62Å; F58-M71 HydrophobicContact CE1-SD 4.04Å; F58-M71 HydrophobicContact CE2-CG 4.34Å; F58-M71 HydrophobicContact CZ-CB 4.47Å; F58-M71 HydrophobicContact CZ-CG 3.33Å; F58-M71 HydrophobicContact CZ-SD 4.36Å; K67-M71 HydrophobicContact CD-CE 4.4Å; K67-M71 HydrophobicContact CG-CE 4.01Å; K67-M71 HydrophobicContact CG-CG 4.47Å; K67-M71 HydrophobicContact CG-SD 4.37Å; K67-M71 WeakPolarHBondContact O-CG 3.44Å; K67-M71 PolarHBondContact O-N 3.2Å; N68-M71 HydrophobicContact CB-CE 4.46Å; N68-M71 WeakPolarHBondContact O-CB 3.49Å; N68-M71 PolarHBondContact O-N 2.98Å; N68-M71 VanDerWaalsContact O-N 3.13Å; N68-M71 WeakPolarHBondContact OD1-CE 3.32Å; M71-L74 PolarHBondContact O-N 3.36Å; M71-A75 WeakPolarHBondContact O-CB 3.11Å; M71-A75 PolarHBondContact O-N 2.93Å; M71-D99 HydrophobicContact SD-CB 4.19Å; M71-T102 HydrophobicContact CE-CG2 3.92Å; M71-T102 HydrophobicContact SD-CG2 4.04Å; M71-L103 HydrophobicContact CB-CD1 4.42Å; M71-L103 VanDerWaalsContact O-CD1 3.31Å; M71-L103 WeakPolarHBondContact O-CD1 3.38Å; M71-L106 HydrophobicContact CB-CD1 3.91Å |
| 72 | E | 95.4 | Very high | 93.6 | Very high | 104 Ų | 104 | 46.2 Ų | 46.2 | 49% | 0.486 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60 | -46 | 176.4 | -73 | 176.3 | -174.3 | 0 | 0 | 111.5 | N68 V70 A75 E76 L106 | N68-E72 PolarHBondContact O-N 3.47Å; V70-E72 PolarHBondContact O-N 3.22Å; E72-A75 PolarHBondContact O-N 3.42Å; E72-E76 WeakPolarHBondContact O-CG 3.41Å; E72-E76 PolarHBondContact O-N 2.89Å; E72-L106 HydrophobicContact CG-CD1 4.16Å; E72-L106 HydrophobicContact CG-CD2 4.28Å |
| 73 | R | 94.9 | Very high | 93.8 | Very high | 110 Ų | 110 | 41.4 Ų | 41.4 | 42% | 0.415 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 174.8 | 163.6 | 162.3 | -179.6 | -166.6 | 0.6 | 112.3 | F9 P69 V70 A75 E76 Q77 | F9-R73 HydrophobicContact CE2-CG 4.05Å; F9-R73 HydrophobicContact CZ-CB 4.3Å; F9-R73 HydrophobicContact CZ-CG 3.76Å; P69-R73 PolarHBondContact O-N 3.19Å; P69-R73 VanDerWaalsContact O-N 3.1Å; V70-R73 PolarHBondContact O-N 3.21Å; R73-A75 VanDerWaalsContact C-N 3.31Å; R73-A75 PolarHBondContact O-N 3.32Å; R73-E76 PolarHBondContact O-N 2.92Å; R73-Q77 WeakPolarHBondContact O-CG 3.27Å; R73-Q77 PolarHBondContact O-N 3.43Å |
| 74 | L | 97.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 178.1 | -64 | -177.7 | 0 | 0 | 0 | 111.2 | L49 F58 V70 M71 E76 Q77 L78 L103 F442 T472 | L49-L74 HydrophobicContact CB-CD2 4.35Å; L49-L74 HydrophobicContact CD1-CB 4.38Å; L49-L74 HydrophobicContact CD1-CD2 3.76Å; F58-L74 HydrophobicContact CE2-CD1 3.65Å; F58-L74 HydrophobicContact CZ-CD1 3.87Å; V70-L74 HydrophobicContact CG1-CD1 4.21Å; V70-L74 HydrophobicContact CG1-CG 4.2Å; V70-L74 VanDerWaalsContact O-CG 3.3Å; V70-L74 WeakPolarHBondContact O-CG 3.45Å; V70-L74 PolarHBondContact O-N 2.69Å; M71-L74 PolarHBondContact O-N 3.36Å; L74-E76 VanDerWaalsContact C-N 3.35Å; L74-E76 PolarHBondContact O-N 3.46Å; L74-Q77 PolarHBondContact O-N 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 VanDerWaalsContact O-CG 3.29Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 2.91Å; L74-L103 HydrophobicContact CB-CD1 4.08Å; L74-F442 HydrophobicContact CD1-CE1 4.36Å; L74-F442 HydrophobicContact CD1-CZ 4.28Å; L74-T472 HydrophobicContact CD1-CG2 3.84Å; L74-T472 HydrophobicContact CD2-CG2 3.99Å |
| 75 | A | 97.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | M71 E72 R73 L78 A79 L103 L106 V107 K110 | M71-A75 WeakPolarHBondContact O-CB 3.11Å; M71-A75 PolarHBondContact O-N 2.93Å; E72-A75 PolarHBondContact O-N 3.42Å; R73-A75 VanDerWaalsContact C-N 3.31Å; R73-A75 PolarHBondContact O-N 3.32Å; A75-L78 PolarHBondContact O-N 3.49Å; A75-A79 WeakPolarHBondContact O-CB 3.41Å; A75-A79 PolarHBondContact O-N 2.77Å; A75-L103 HydrophobicContact CB-CD1 4Å; A75-L106 HydrophobicContact CB-CB 3.56Å; A75-V107 HydrophobicContact CB-CG2 3.84Å; A75-K110 HydrophobicContact CB-CG 4.5Å |
| 76 | E | 95.2 | Very high | 95.2 | Very high | 47 Ų | 47 | 39 Ų | 39 | 22% | 0.22 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -48.9 | 174.6 | -78.1 | 178.2 | -178.8 | 0 | 0 | 111.9 | F9 P10 E72 R73 L74 L78 A79 T80 K110 | F9-E76 WeakPolarHBondContact CE1-OE2 3.38Å; P10-E76 HydrophobicContact CG-CB 3.75Å; P10-E76 HydrophobicContact CG-CG 4.28Å; E72-E76 WeakPolarHBondContact O-CG 3.41Å; E72-E76 PolarHBondContact O-N 2.89Å; R73-E76 PolarHBondContact O-N 2.92Å; L74-E76 VanDerWaalsContact C-N 3.35Å; L74-E76 PolarHBondContact O-N 3.46Å; E76-L78 PolarHBondContact O-N 3Å; E76-A79 PolarHBondContact O-N 2.89Å; E76-T80 WeakPolarHBondContact O-CG2 3.45Å; E76-T80 PolarHBondContact O-N 2.93Å; E76-K110 HydrophobicContact CG-CD 3.83Å; E76-K110 HydrophobicContact CG-CG 4.25Å; E76-K110 IonicContact OE1-NZ 3.98Å; E76-K110 PolarHBondContact OE1-NZ 3.29Å |
| 77 | Q | 96.6 | Very high | 95.6 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 4% | 0.042 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 178.3 | -66.5 | -179.4 | -92.4 | 0 | 0 | 112.1 | F9 A38 L49 R73 L74 A79 T80 L81 | F9-Q77 HydrophobicContact CE2-CG 3.84Å; F9-Q77 HydrophobicContact CZ-CG 4.48Å; A38-Q77 HydrophobicContact CB-CB 4.38Å; A38-Q77 HydrophobicContact CB-CG 3.87Å; A38-Q77 WeakPolarHBondContact O-CB 3.18Å; A38-Q77 VanDerWaalsContact O-CG 3.27Å; A38-Q77 WeakPolarHBondContact O-CG 3.4Å; A38-Q77 PolarHBondContact O-NE2 3.45Å; L49-Q77 HydrophobicContact CD1-CB 4.08Å; L49-Q77 HydrophobicContact CD2-CB 3.85Å; L49-Q77 HydrophobicContact CG-CB 4.45Å; L49-Q77 PolarHBondContact O-NE2 3.46Å; R73-Q77 WeakPolarHBondContact O-CG 3.27Å; R73-Q77 PolarHBondContact O-N 3.43Å; L74-Q77 PolarHBondContact O-N 3.24Å; Q77-A79 VanDerWaalsContact C-N 3.33Å; Q77-A79 PolarHBondContact O-N 3.37Å; Q77-T80 PolarHBondContact O-N 2.87Å; Q77-T80 VanDerWaalsContact O-N 3.16Å; Q77-T80 PolarHBondContact O-OG1 3.33Å; Q77-L81 PolarHBondContact O-N 3.42Å |
| 78 | L | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 175.7 | -72.3 | 171.3 | 0 | 0 | 0 | 112.7 | Y47 L49 L74 A75 E76 T80 L81 C82 V107 F442 | Y47-L78 HydrophobicContact CE2-CD2 3.7Å; Y47-L78 WeakPolarHBondContact OH-CD2 3.15Å; L49-L78 HydrophobicContact CD1-CD2 4.2Å; L49-L78 HydrophobicContact CD1-CG 4.1Å; L74-L78 WeakPolarHBondContact O-CB 3.43Å; L74-L78 VanDerWaalsContact O-CG 3.29Å; L74-L78 WeakPolarHBondContact O-CG 3.48Å; L74-L78 PolarHBondContact O-N 2.91Å; A75-L78 PolarHBondContact O-N 3.49Å; E76-L78 PolarHBondContact O-N 3Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 3.01Å; L78-L81 WeakPolarHBondContact O-CB 3.32Å; L78-L81 PolarHBondContact O-N 3.16Å; L78-C82 PolarHBondContact O-N 2.95Å; L78-C82 PolarHBondContact O-SG 3.13Å; L78-C82 VanDerWaalsContact O-SG 3.37Å; L78-V107 HydrophobicContact CB-CG2 4.14Å; L78-V107 HydrophobicContact CD1-CG2 3.73Å; L78-F442 HydrophobicContact CD1-CB 4.37Å; L78-F442 HydrophobicContact CD1-CD1 3.7Å; L78-F442 HydrophobicContact CD1-CD2 4.36Å; L78-F442 HydrophobicContact CD1-CE1 4Å; L78-F442 HydrophobicContact CD1-CG 3.87Å; L78-F442 HydrophobicContact CD1-CZ 4.44Å; L78-F442 HydrophobicContact CD2-CB 4.07Å; L78-F442 HydrophobicContact CD2-CD1 4.4Å; L78-F442 HydrophobicContact CD2-CD2 3.6Å; L78-F442 HydrophobicContact CD2-CE2 4.07Å; L78-F442 HydrophobicContact CD2-CG 3.76Å; L78-F442 HydrophobicContact CG-CD2 4.44Å; L78-F442 HydrophobicContact CG-CG 4.4Å |
| 79 | A | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -36.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A75 E76 Q77 L81 C82 A83 K110 L111 Y114 | A75-A79 WeakPolarHBondContact O-CB 3.41Å; A75-A79 PolarHBondContact O-N 2.77Å; E76-A79 PolarHBondContact O-N 2.89Å; Q77-A79 VanDerWaalsContact C-N 3.33Å; Q77-A79 PolarHBondContact O-N 3.37Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.67Å; A79-C82 PolarHBondContact O-N 3.06Å; A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 3.47Å; A79-K110 HydrophobicContact CB-CB 3.59Å; A79-L111 HydrophobicContact CB-CD2 4.25Å; A79-Y114 HydrophobicContact CB-CD2 3.87Å; A79-Y114 HydrophobicContact CB-CE2 3.71Å |
| 80 | T | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -37.1 | 174.3 | 70.1 | 0 | 0 | 0 | 0 | 113.3 | P10 N36 A38 E76 Q77 L78 A83 T84 | P10-T80 HydrophobicContact CB-CG2 4.35Å; P10-T80 HydrophobicContact CG-CG2 4.11Å; N36-T80 HydrophobicContact CB-CG2 4.47Å; N36-T80 VanDerWaalsContact O-CB 3.28Å; N36-T80 WeakPolarHBondContact O-CB 3.3Å; A38-T80 HydrophobicContact CB-CG2 4Å; A38-T80 PolarHBondContact N-OG1 3.49Å; E76-T80 WeakPolarHBondContact O-CG2 3.45Å; E76-T80 PolarHBondContact O-N 2.93Å; Q77-T80 PolarHBondContact O-N 2.87Å; Q77-T80 VanDerWaalsContact O-N 3.16Å; Q77-T80 PolarHBondContact O-OG1 3.33Å; L78-T80 VanDerWaalsContact C-N 3.31Å; L78-T80 PolarHBondContact O-N 3.01Å; T80-A83 PolarHBondContact O-N 2.96Å; T80-T84 VanDerWaalsContact O-CB 3.31Å; T80-T84 WeakPolarHBondContact O-CB 3.35Å; T80-T84 PolarHBondContact O-N 3.1Å; T80-T84 PolarHBondContact O-OG1 2.99Å |
| 81 | L | 96.9 | Very high | 96.4 | Very high | 6 Ų | 6 | 29.6 Ų | 29.6 | 3% | 0.031 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.4 | -50.7 | 172.9 | 172.8 | 68.4 | 0 | 0 | 0 | 110.6 | F39 Y47 Q77 L78 A79 A83 T84 L85 | F39-L81 HydrophobicContact CD1-CB 3.94Å; F39-L81 HydrophobicContact CD1-CD1 4.3Å; F39-L81 HydrophobicContact CD2-CD1 4.02Å; F39-L81 HydrophobicContact CE1-CB 4.03Å; F39-L81 HydrophobicContact CE1-CD1 3.94Å; F39-L81 HydrophobicContact CE2-CD1 3.61Å; F39-L81 HydrophobicContact CG-CB 4.38Å; F39-L81 HydrophobicContact CG-CD1 4.35Å; F39-L81 HydrophobicContact CZ-CD1 3.57Å; Y47-L81 HydrophobicContact CD1-CD2 3.65Å; Y47-L81 HydrophobicContact CD2-CD2 3.93Å; Y47-L81 HydrophobicContact CE1-CD2 3.46Å; Y47-L81 VanDerWaalsContact CE1-CD2 3.46Å; Y47-L81 HydrophobicContact CE2-CD2 3.76Å; Y47-L81 HydrophobicContact CG-CD2 3.87Å; Q77-L81 PolarHBondContact O-N 3.42Å; L78-L81 WeakPolarHBondContact O-CB 3.32Å; L78-L81 PolarHBondContact O-N 3.16Å; A79-L81 VanDerWaalsContact C-N 3.33Å; A79-L81 PolarHBondContact O-N 2.67Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 3.36Å; L81-T84 PolarHBondContact O-N 3.41Å; L81-L85 HydrophobicContact CD1-CD1 3.79Å; L81-L85 HydrophobicContact CD1-CG 4.37Å; L81-L85 HydrophobicContact CG-CD1 4.16Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 2.94Å; L81-L85 VanDerWaalsContact O-N 3.09Å |
| 82 | C | 96.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 179.3 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | L78 A79 L85 K86 E87 L111 | L78-C82 PolarHBondContact O-N 2.95Å; L78-C82 PolarHBondContact O-SG 3.13Å; L78-C82 VanDerWaalsContact O-SG 3.37Å; A79-C82 PolarHBondContact O-N 3.06Å; C82-L85 CarbonylContact O-C 3.42Å; C82-L85 PolarHBondContact O-N 3.43Å; C82-K86 PolarHBondContact O-N 3.19Å; C82-E87 WeakPolarHBondContact CB-O 3.29Å; C82-E87 PolarHBondContact O-N 3.08Å; C82-L111 HydrophobicContact CB-CD2 3.39Å |
| 83 | A | 95 | Very high | 96.7 | Very high | 17 Ų | 17 | 26.9 Ų | 26.9 | 14% | 0.14 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A79 T80 L81 L85 K86 Y114 M121 | A79-A83 WeakPolarHBondContact O-CB 3.23Å; A79-A83 PolarHBondContact O-N 3.47Å; T80-A83 PolarHBondContact O-N 2.96Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-A83 PolarHBondContact O-N 3.36Å; A83-L85 PolarHBondContact O-N 2.86Å; A83-K86 PolarHBondContact O-N 2.8Å; A83-Y114 HydrophobicContact CB-CD1 3.77Å; A83-Y114 HydrophobicContact CB-CD2 4.36Å; A83-Y114 HydrophobicContact CB-CE1 3.93Å; A83-Y114 HydrophobicContact CB-CE2 4.49Å; A83-Y114 HydrophobicContact CB-CG 4.02Å; A83-M121 HydrophobicContact CB-CE 3.82Å |
| 84 | T | 94.9 | Very high | 96.8 | Very high | 64 Ų | 64 | 23 Ų | 23 | 39% | 0.393 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -57.9 | -39.1 | 176.4 | -60.3 | 0 | 0 | 0 | 0 | 111.4 | F39 T80 L81 K86 | F39-T84 HydrophobicContact CZ-CG2 4.38Å; T80-T84 VanDerWaalsContact O-CB 3.31Å; T80-T84 WeakPolarHBondContact O-CB 3.35Å; T80-T84 PolarHBondContact O-N 3.1Å; T80-T84 PolarHBondContact O-OG1 2.99Å; L81-T84 PolarHBondContact O-N 3.41Å; T84-K86 VanDerWaalsContact C-N 3.32Å |
| 85 | L | 95.1 | Very high | 96.7 | Very high | 44 Ų | 44 | 25 Ų | 25 | 23% | 0.23 | 14% | 0.135 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -3.4 | 179.1 | -64.3 | 178.6 | 0 | 0 | 0 | 113.8 | L81 C82 A83 E87 K127 R438 I468 | L81-L85 HydrophobicContact CD1-CD1 3.79Å; L81-L85 HydrophobicContact CD1-CG 4.37Å; L81-L85 HydrophobicContact CG-CD1 4.16Å; L81-L85 WeakPolarHBondContact O-CB 3.22Å; L81-L85 VanDerWaalsContact O-CG 3.31Å; L81-L85 WeakPolarHBondContact O-CG 3.43Å; L81-L85 PolarHBondContact O-N 2.94Å; L81-L85 VanDerWaalsContact O-N 3.09Å; C82-L85 CarbonylContact O-C 3.42Å; C82-L85 PolarHBondContact O-N 3.43Å; A83-L85 PolarHBondContact O-N 2.86Å; L85-E87 HydrophobicContact CB-CG 3.9Å; L85-E87 PolarHBondContact O-N 3.15Å; L85-K127 PolarHBondContact O-NZ 3.18Å; L85-R438 VanDerWaalsContact CB-NH1 3.33Å; L85-I468 HydrophobicContact CD1-CD1 3.99Å |
| 86 | K | 95.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 30.6 Ų | 30.6 | 46% | 0.461 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 44 | -169.3 | -59.8 | -168.1 | 171 | -149.2 | 0 | 112.6 | C82 A83 T84 D118 G122 K127 | C82-K86 PolarHBondContact O-N 3.19Å; A83-K86 PolarHBondContact O-N 2.8Å; T84-K86 VanDerWaalsContact C-N 3.32Å; K86-D118 IonicContact NZ-OD2 3.42Å; K86-G122 PolarHBondContact O-N 2.9Å; K86-K127 PolarHBondContact O-NZ 3.03Å |
| 87 | E | 96 | Very high | 96.4 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 16% | 0.157 | C | C | . | . | trans | -103.5 | 138.4 | 175.8 | -68.4 | -62.9 | 154.1 | 0 | 0 | 110.1 | C82 L85 M121 K127 S130 R438 M440 | C82-E87 WeakPolarHBondContact CB-O 3.29Å; C82-E87 PolarHBondContact O-N 3.08Å; L85-E87 HydrophobicContact CB-CG 3.9Å; L85-E87 PolarHBondContact O-N 3.15Å; E87-M121 WeakPolarHBondContact O-CG 3.35Å; E87-K127 IonicContact OE1-NZ 3.38Å; E87-K127 PolarHBondContact OE1-NZ 3.11Å; E87-S130 WeakPolarHBondContact OE2-CB 3.47Å; E87-S130 PolarHBondContact OE2-OG 3.16Å; E87-R438 WeakPolarHBondContact OE1-CD 3.37Å; E87-M440 HydrophobicContact CB-CE 3.97Å; E87-M440 HydrophobicContact CG-CE 4.22Å | ||
| 88 | Y | 97 | Very high | 96.3 | Very high | 75 Ų | 75 | 37.6 Ų | 37.6 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | trans | -123.7 | 76 | 167.6 | -176.1 | -99.9 | 0 | 0 | 0 | 107.5 | Q108 L111 D112 K115 | Y88-Q108 PolarHBondContact OH-NE2 3.37Å; Y88-Q108 VanDerWaalsContact OH-NE2 3.08Å; Y88-L111 HydrophobicContact CD2-CB 4.04Å; Y88-L111 HydrophobicContact CE2-CB 3.87Å; Y88-D112 WeakPolarHBondContact CE2-OD1 3.42Å; Y88-D112 PolarHBondContact OH-OD1 2.87Å; Y88-K115 HydrophobicContact CD2-CB 3.79Å; Y88-K115 HydrophobicContact CD2-CD 4.39Å; Y88-K115 HydrophobicContact CD2-CG 4.09Å; Y88-K115 HydrophobicContact CE2-CB 3.79Å; Y88-K115 HydrophobicContact CE2-CG 4.11Å; Y88-K115 HydrophobicContact CG-CD 4.4Å; Y88-K115 HydrophobicContact CG-CG 4.48Å | ||
| 89 | P | 97.3 | Very high | 96.2 | Very high | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.013 | 20% | 0.197 | C | C | . | . | trans | -74.4 | 154.5 | -169.9 | 31.6 | -37.2 | 0 | 0 | 0 | 112.1 | V91 L111 S130 L132 M440 | P89-V91 PolarHBondContact O-N 3.4Å; P89-L111 HydrophobicContact CG-CD1 4.25Å; P89-S130 WeakPolarHBondContact CA-O 3.41Å; P89-L132 HydrophobicContact CB-CB 3.94Å; P89-L132 HydrophobicContact CG-CB 3.68Å; P89-L132 HydrophobicContact CG-CD2 4.5Å; P89-M440 HydrophobicContact CB-CE 3.47Å; P89-M440 VanDerWaalsContact CB-CE 3.47Å; P89-M440 HydrophobicContact CG-CE 3.51Å | ||
| 90 | A | 97.7 | Very high | 96.3 | Very high | 31 Ų | 31 | 38.9 Ų | 38.9 | 26% | 0.256 | 20% | 0.197 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 113.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S130 Q131 L132 Y403 | A90-S130 PolarHBondContact N-O 2.91Å; A90-Q131 WeakPolarHBondContact O-CA 3.47Å; A90-L132 PolarHBondContact O-N 2.96Å; A90-Y403 HydrophobicContact CB-CD1 3.91Å; A90-Y403 HydrophobicContact CB-CE1 3.68Å |
| 91 | V | 98.5 | Very high | 96.3 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 126.2 | -176.7 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | P89 A104 V107 L111 L132 Y403 I404 | P89-V91 PolarHBondContact O-N 3.4Å; V91-A104 HydrophobicContact CG1-CB 3.85Å; V91-V107 HydrophobicContact CG2-CG1 4.39Å; V91-L111 HydrophobicContact CG2-CD1 3.83Å; V91-L132 CarbonylContact C-O 3.59Å; V91-L132 WeakPolarHBondContact CA-O 3.43Å; V91-Y403 WeakPolarHBondContact O-CA 3.33Å; V91-I404 HydrophobicContact CG1-CG1 4.33Å; V91-I404 PolarHBondContact O-N 2.67Å |
| 92 | R | 98.2 | Very high | 96.3 | Very high | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.011 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 159.1 | 175.6 | -59.2 | -179 | 78.5 | 164.7 | 0.2 | 110.2 | Q131 L132 I133 I134 L396 Y401 P402 Y403 | R92-Q131 VanDerWaalsContact CD-OE1 3.32Å; R92-L132 PolarHBondContact N-O 2.86Å; R92-I133 HydrophobicContact CB-CG1 4.27Å; R92-I133 WeakPolarHBondContact O-CA 3.24Å; R92-I134 PolarHBondContact O-N 3.37Å; R92-L396 PolarHBondContact NH2-O 3.44Å; R92-Y401 PolarHBondContact NE-O 3.42Å; R92-Y401 PolarHBondContact NH2-O 2.66Å; R92-P402 VanDerWaalsContact CA-O 3.23Å; R92-P402 WeakPolarHBondContact CA-O 3.44Å; R92-Y403 VanDerWaalsContact CD-CE1 3.42Å; R92-Y403 VanDerWaalsContact CD-CZ 3.49Å; R92-Y403 HydrophobicContact CG-CD1 3.35Å; R92-Y403 HydrophobicContact CG-CD2 4.41Å; R92-Y403 HydrophobicContact CG-CE1 3.31Å; R92-Y403 HydrophobicContact CG-CE2 4.39Å; R92-Y403 HydrophobicContact CG-CG 3.93Å; R92-Y403 PolarHBondContact NH1-OH 3.3Å |
| 93 | Y | 98.5 | Very high | 96.4 | Very high | 46 Ų | 46 | 42.6 Ų | 42.6 | 18% | 0.18 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 152.5 | 177.3 | 63.5 | -85.2 | 0 | 0 | 0 | 111.3 | G95 N100 A101 A104 I134 Y401 P402 I404 | Y93-G95 PolarHBondContact O-N 2.95Å; Y93-N100 HydrophobicContact CD2-CB 4.29Å; Y93-A101 HydrophobicContact CD2-CB 3.9Å; Y93-A101 HydrophobicContact CE1-CB 4.45Å; Y93-A101 HydrophobicContact CE2-CB 3.47Å; Y93-A101 VanDerWaalsContact CE2-CB 3.47Å; Y93-A104 HydrophobicContact CD1-CB 3.88Å; Y93-A104 HydrophobicContact CG-CB 4.14Å; Y93-I134 CarbonylContact C-O 3.51Å; Y93-I134 WeakPolarHBondContact CA-O 3.34Å; Y93-Y401 VanDerWaalsContact O-CA 3.28Å; Y93-Y401 WeakPolarHBondContact O-CA 3.31Å; Y93-P402 HydrophobicContact CD1-CG 4.32Å; Y93-P402 HydrophobicContact CD2-CG 4.25Å; Y93-P402 HydrophobicContact CE1-CB 4.3Å; Y93-P402 HydrophobicContact CE1-CG 3.74Å; Y93-P402 HydrophobicContact CE2-CG 3.66Å; Y93-P402 PolarHBondContact N-O 3.36Å; Y93-P402 VanDerWaalsContact O-CD 3.3Å; Y93-P402 WeakPolarHBondContact O-CD 3.46Å; Y93-I404 HydrophobicContact CD1-CD1 3.75Å; Y93-I404 HydrophobicContact CD1-CG1 3.97Å; Y93-I404 HydrophobicContact CE1-CD1 3.46Å; Y93-I404 VanDerWaalsContact CE1-CD1 3.46Å; Y93-I404 HydrophobicContact CE1-CG1 4.02Å |
| 94 | R | 97.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 11% | 0.106 | 22% | 0.216 | C | C | . | . | trans | -72.6 | 117.5 | 170.2 | -177.6 | -178.9 | 167.7 | -143 | 13.2 | 110 | E96 N100 I134 L135 D136 F139 H400 Y401 | R94-E96 VanDerWaalsContact C-N 3.33Å; R94-E96 HydrophobicContact CG-CB 4.46Å; R94-E96 IonicContact CZ-OE2 2.9Å; R94-E96 VanDerWaalsContact CZ-OE2 3.24Å; R94-E96 IonicContact NE-OE2 2.73Å; R94-E96 PolarHBondContact NE-OE2 2.66Å; R94-E96 IonicContact NH2-OE2 2.66Å; R94-E96 PolarHBondContact NH2-OE2 2.79Å; R94-E96 PolarHBondContact O-N 3.42Å; R94-N100 PolarHBondContact O-ND2 2.78Å; R94-N100 VanDerWaalsContact O-ND2 3.09Å; R94-I134 PolarHBondContact N-O 3.4Å; R94-L135 HydrophobicContact CB-CD2 3.88Å; R94-D136 IonicContact CZ-OD1 2.91Å; R94-D136 IonicContact NH1-OD1 3.42Å; R94-D136 PolarHBondContact NH1-OD1 3.07Å; R94-D136 IonicContact NH1-OD2 2.72Å; R94-D136 PolarHBondContact NH1-OD2 2.97Å; R94-F139 VanDerWaalsContact CZ-CA 3.41Å; R94-H400 WeakPolarHBondContact CA-O 3.45Å; R94-Y401 HydrophobicContact CB-CD1 4.08Å; R94-Y401 HydrophobicContact CB-CE1 3.78Å; R94-Y401 HydrophobicContact CG-CE1 4Å | ||
| 95 | G | 95.8 | Very high | 96.7 | Very high | 41 Ų | 41 | 42.7 Ų | 42.7 | 42% | 0.423 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -13.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y93 Y97 H400 | Y93-G95 PolarHBondContact O-N 2.95Å; G95-Y97 VanDerWaalsContact C-N 3.34Å; G95-H400 PolarHBondContact N-O 2.83Å |
| 96 | E | 92.6 | Very high | 96.9 | Very high | 118 Ų | 118 | 42.3 Ų | 42.3 | 55% | 0.551 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -29.8 | -180 | -69.4 | -177.2 | 161.9 | 0 | 0 | 113 | R94 | R94-E96 VanDerWaalsContact C-N 3.33Å; R94-E96 HydrophobicContact CG-CB 4.46Å; R94-E96 IonicContact CZ-OE2 2.9Å; R94-E96 VanDerWaalsContact CZ-OE2 3.24Å; R94-E96 IonicContact NE-OE2 2.73Å; R94-E96 PolarHBondContact NE-OE2 2.66Å; R94-E96 IonicContact NH2-OE2 2.66Å; R94-E96 PolarHBondContact NH2-OE2 2.79Å; R94-E96 PolarHBondContact O-N 3.42Å |
| 97 | Y | 94.4 | Very high | 97 | Very high | 35 Ų | 35 | 37.2 Ų | 37.2 | 14% | 0.137 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -106.7 | 114.1 | 179.8 | -164.3 | -98.9 | 0 | 0 | 0 | 110.5 | Y59 G95 D99 N100 D136 | Y59-Y97 WeakPolarHBondContact CD1-OH 2.88Å; Y59-Y97 HydrophobicContact CE1-CE1 4.35Å; Y59-Y97 HydrophobicContact CE1-CE2 4.18Å; Y59-Y97 AromaticContact CE1-CZ 3.71Å; Y59-Y97 VanDerWaalsContact CE1-OH 3.28Å; Y59-Y97 WeakPolarHBondContact CE1-OH 3.29Å; G95-Y97 VanDerWaalsContact C-N 3.34Å; Y97-D99 VanDerWaalsContact C-N 3.3Å; Y97-D99 HydrophobicContact CD1-CB 4.05Å; Y97-D99 HydrophobicContact CE1-CB 3.74Å; Y97-D99 PolarHBondContact O-N 2.66Å; Y97-N100 WeakPolarHBondContact O-CB 3.34Å; Y97-N100 PolarHBondContact O-N 2.85Å; Y97-N100 VanDerWaalsContact O-N 3.12Å; Y97-D136 VanDerWaalsContact CB-OD1 3.28Å; Y97-D136 WeakPolarHBondContact CB-OD1 3.33Å; Y97-D136 HydrophobicContact CD1-CB 3.58Å; Y97-D136 HydrophobicContact CD2-CB 4.18Å; Y97-D136 HydrophobicContact CE1-CB 4.14Å; Y97-D136 HydrophobicContact CG-CB 3.61Å |
| 98 | K | 93.6 | Very high | 97.2 | Very high | 169 Ų | 169 | 37.4 Ų | 37.4 | 74% | 0.735 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -56 | -40.8 | -169.7 | -177.1 | -176.7 | 173.9 | -170.7 | 0 | 113.4 | N100 A101 | K98-N100 PolarHBondContact O-N 3.26Å; K98-A101 WeakPolarHBondContact O-CB 3.25Å; K98-A101 PolarHBondContact O-N 3.03Å |
| 99 | D | 95.9 | Very high | 97.2 | Very high | 27 Ų | 27 | 37.7 Ų | 37.7 | 14% | 0.144 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -19.7 | -174.3 | -58 | -31.2 | 0 | 0 | 0 | 112.4 | F58 K67 M71 Y97 A101 T102 L103 | F58-D99 HydrophobicContact CE1-CB 4.41Å; K67-D99 VanDerWaalsContact CD-OD2 3.26Å; K67-D99 WeakPolarHBondContact CD-OD2 3.35Å; K67-D99 IonicContact NZ-OD2 2.72Å; K67-D99 PolarHBondContact NZ-OD2 2.9Å; M71-D99 HydrophobicContact SD-CB 4.19Å; Y97-D99 VanDerWaalsContact C-N 3.3Å; Y97-D99 HydrophobicContact CD1-CB 4.05Å; Y97-D99 HydrophobicContact CE1-CB 3.74Å; Y97-D99 PolarHBondContact O-N 2.66Å; D99-A101 VanDerWaalsContact C-N 3.28Å; D99-A101 PolarHBondContact O-N 3.4Å; D99-T102 PolarHBondContact O-N 2.87Å; D99-L103 PolarHBondContact O-N 3.17Å |
| 100 | N | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.7 | -37.6 | 173.8 | -64.3 | -13.1 | 0 | 0 | 0 | 111.3 | Y93 R94 Y97 K98 A104 I134 D136 I444 | Y93-N100 HydrophobicContact CD2-CB 4.29Å; R94-N100 PolarHBondContact O-ND2 2.78Å; R94-N100 VanDerWaalsContact O-ND2 3.09Å; Y97-N100 WeakPolarHBondContact O-CB 3.34Å; Y97-N100 PolarHBondContact O-N 2.85Å; Y97-N100 VanDerWaalsContact O-N 3.12Å; K98-N100 PolarHBondContact O-N 3.26Å; N100-A104 WeakPolarHBondContact O-CB 3.41Å; N100-A104 PolarHBondContact O-N 3.49Å; N100-I134 HydrophobicContact CB-CG2 4.3Å; N100-D136 PolarHBondContact ND2-N 3.05Å; N100-D136 PolarHBondContact ND2-OD1 2.92Å; N100-I444 WeakPolarHBondContact OD1-CD1 3.39Å |
| 101 | A | 97.7 | Very high | 97.1 | Very high | 29 Ų | 29 | 39.3 Ų | 39.3 | 24% | 0.24 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -66.1 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y93 K98 D99 A104 Q105 | Y93-A101 HydrophobicContact CD2-CB 3.9Å; Y93-A101 HydrophobicContact CE1-CB 4.45Å; Y93-A101 HydrophobicContact CE2-CB 3.47Å; Y93-A101 VanDerWaalsContact CE2-CB 3.47Å; K98-A101 WeakPolarHBondContact O-CB 3.25Å; K98-A101 PolarHBondContact O-N 3.03Å; D99-A101 VanDerWaalsContact C-N 3.28Å; D99-A101 PolarHBondContact O-N 3.4Å; A101-A104 PolarHBondContact O-N 3.43Å; A101-Q105 PolarHBondContact O-N 3.28Å |
| 102 | T | 97.4 | Very high | 97 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 177 | -51.4 | 0 | 0 | 0 | 0 | 110.9 | M71 D99 A104 Q105 L106 | M71-T102 HydrophobicContact CE-CG2 3.92Å; M71-T102 HydrophobicContact SD-CG2 4.04Å; D99-T102 PolarHBondContact O-N 2.87Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-A104 PolarHBondContact O-N 2.86Å; T102-Q105 PolarHBondContact O-N 2.68Å; T102-L106 HydrophobicContact CG2-CD1 4.3Å; T102-L106 WeakPolarHBondContact O-CG 3.31Å; T102-L106 PolarHBondContact O-N 2.91Å |
| 103 | L | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.4 | -41.4 | 177.7 | -179.5 | 61 | 0 | 0 | 0 | 111.5 | M71 L74 A75 D99 Q105 L106 V107 I134 F442 I444 | M71-L103 HydrophobicContact CB-CD1 4.42Å; M71-L103 VanDerWaalsContact O-CD1 3.31Å; M71-L103 WeakPolarHBondContact O-CD1 3.38Å; L74-L103 HydrophobicContact CB-CD1 4.08Å; A75-L103 HydrophobicContact CB-CD1 4Å; D99-L103 PolarHBondContact O-N 3.17Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-Q105 PolarHBondContact O-N 3.46Å; L103-L106 PolarHBondContact O-N 3.33Å; L103-V107 HydrophobicContact CD1-CG2 4.31Å; L103-V107 HydrophobicContact CG-CG2 4.43Å; L103-V107 VanDerWaalsContact O-CG2 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.45Å; L103-V107 PolarHBondContact O-N 3.02Å; L103-I134 HydrophobicContact CB-CD1 4.48Å; L103-I134 HydrophobicContact CD2-CD1 4.27Å; L103-I134 HydrophobicContact CD2-CG2 3.93Å; L103-I134 HydrophobicContact CG-CD1 3.97Å; L103-I134 HydrophobicContact CG-CG2 4.47Å; L103-F442 HydrophobicContact CD2-CD1 4.06Å; L103-F442 HydrophobicContact CD2-CE1 3.81Å; L103-I444 HydrophobicContact CD2-CD1 3.68Å; L103-I444 HydrophobicContact CD2-CG1 3.86Å |
| 104 | A | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -38.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V91 Y93 N100 A101 T102 V107 Q108 I134 I404 | V91-A104 HydrophobicContact CG1-CB 3.85Å; Y93-A104 HydrophobicContact CD1-CB 3.88Å; Y93-A104 HydrophobicContact CG-CB 4.14Å; N100-A104 WeakPolarHBondContact O-CB 3.41Å; N100-A104 PolarHBondContact O-N 3.49Å; A101-A104 PolarHBondContact O-N 3.43Å; T102-A104 VanDerWaalsContact C-N 3.33Å; T102-A104 PolarHBondContact O-N 2.86Å; A104-V107 PolarHBondContact O-N 3.44Å; A104-Q108 WeakPolarHBondContact O-CB 3.49Å; A104-Q108 PolarHBondContact O-N 3.42Å; A104-I134 HydrophobicContact CB-CD1 3.84Å; A104-I404 HydrophobicContact CB-CD1 3.73Å; A104-I404 HydrophobicContact CB-CG1 3.58Å |
| 105 | Q | 98.3 | Very high | 96.5 | Very high | 82 Ų | 82 | 45.7 Ų | 45.7 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 173.1 | -173.9 | 62.1 | 57.6 | 0 | 0 | 111.5 | A101 T102 L103 V107 Q108 D109 I404 | A101-Q105 PolarHBondContact O-N 3.28Å; T102-Q105 PolarHBondContact O-N 2.68Å; L103-Q105 VanDerWaalsContact C-N 3.34Å; L103-Q105 PolarHBondContact O-N 3.46Å; Q105-V107 VanDerWaalsContact C-N 3.29Å; Q105-V107 PolarHBondContact O-N 3.23Å; Q105-Q108 WeakPolarHBondContact O-CB 3.36Å; Q105-Q108 PolarHBondContact O-N 3.34Å; Q105-Q108 VanDerWaalsContact O-N 3.11Å; Q105-D109 PolarHBondContact NE2-OD1 3.4Å; Q105-D109 VanDerWaalsContact O-CG 3.26Å; Q105-D109 PolarHBondContact O-N 3.32Å; Q105-I404 HydrophobicContact CB-CD1 4.39Å; Q105-I404 VanDerWaalsContact OE1-CG2 3.29Å |
| 106 | L | 98.3 | Very high | 96.6 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 19% | 0.188 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.9 | -41 | 177.9 | -69.3 | 168.2 | 0 | 0 | 0 | 111.5 | M71 E72 A75 T102 L103 D109 K110 | M71-L106 HydrophobicContact CB-CD1 3.91Å; E72-L106 HydrophobicContact CG-CD1 4.16Å; E72-L106 HydrophobicContact CG-CD2 4.28Å; A75-L106 HydrophobicContact CB-CB 3.56Å; T102-L106 HydrophobicContact CG2-CD1 4.3Å; T102-L106 WeakPolarHBondContact O-CG 3.31Å; T102-L106 PolarHBondContact O-N 2.91Å; L103-L106 PolarHBondContact O-N 3.33Å; L106-D109 PolarHBondContact O-N 3.24Å; L106-K110 VanDerWaalsContact O-CG 3.3Å; L106-K110 WeakPolarHBondContact O-CG 3.37Å; L106-K110 PolarHBondContact O-N 2.88Å; L106-K110 VanDerWaalsContact O-N 3.13Å |
| 107 | V | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.8 | -46 | 174.4 | 171 | 0 | 0 | 0 | 0 | 110.6 | A75 L78 V91 L103 A104 Q105 D109 K110 L111 L132 I134 | A75-V107 HydrophobicContact CB-CG2 3.84Å; L78-V107 HydrophobicContact CB-CG2 4.14Å; L78-V107 HydrophobicContact CD1-CG2 3.73Å; V91-V107 HydrophobicContact CG2-CG1 4.39Å; L103-V107 HydrophobicContact CD1-CG2 4.31Å; L103-V107 HydrophobicContact CG-CG2 4.43Å; L103-V107 VanDerWaalsContact O-CG2 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.45Å; L103-V107 PolarHBondContact O-N 3.02Å; A104-V107 PolarHBondContact O-N 3.44Å; Q105-V107 VanDerWaalsContact C-N 3.29Å; Q105-V107 PolarHBondContact O-N 3.23Å; V107-D109 VanDerWaalsContact C-N 3.34Å; V107-D109 PolarHBondContact O-N 3.05Å; V107-K110 PolarHBondContact O-N 2.81Å; V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 HydrophobicContact CG1-CG 4.17Å; V107-L111 VanDerWaalsContact O-CG 3.29Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.12Å; V107-L132 HydrophobicContact CG1-CD2 3.71Å; V107-I134 HydrophobicContact CG2-CD1 4.09Å |
| 108 | Q | 98.2 | Very high | 96.5 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.023 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.6 | -46.4 | 177.7 | -174.8 | 65 | 66.6 | 0 | 0 | 111.5 | Y88 A104 Q105 K110 L111 D112 I404 | Y88-Q108 PolarHBondContact OH-NE2 3.37Å; Y88-Q108 VanDerWaalsContact OH-NE2 3.08Å; A104-Q108 WeakPolarHBondContact O-CB 3.49Å; A104-Q108 PolarHBondContact O-N 3.42Å; Q105-Q108 WeakPolarHBondContact O-CB 3.36Å; Q105-Q108 PolarHBondContact O-N 3.34Å; Q105-Q108 VanDerWaalsContact O-N 3.11Å; Q108-K110 VanDerWaalsContact C-N 3.3Å; Q108-K110 PolarHBondContact O-N 2.82Å; Q108-L111 PolarHBondContact O-N 3.44Å; Q108-D112 PolarHBondContact NE2-OD1 3.29Å; Q108-D112 VanDerWaalsContact O-CG 3.23Å; Q108-D112 PolarHBondContact O-N 2.92Å; Q108-I404 HydrophobicContact CB-CG2 4.01Å; Q108-I404 HydrophobicContact CG-CG2 4.01Å |
| 109 | D | 97.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 179.3 | -61.7 | -14.3 | 0 | 0 | 0 | 111.6 | Q105 L106 V107 A113 | Q105-D109 PolarHBondContact NE2-OD1 3.4Å; Q105-D109 VanDerWaalsContact O-CG 3.26Å; Q105-D109 PolarHBondContact O-N 3.32Å; L106-D109 PolarHBondContact O-N 3.24Å; V107-D109 VanDerWaalsContact C-N 3.34Å; V107-D109 PolarHBondContact O-N 3.05Å; D109-A113 PolarHBondContact O-N 2.86Å |
| 110 | K | 96.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 46.8 Ų | 46.8 | 30% | 0.296 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -70.3 | -39.8 | 176.6 | -61.6 | -66 | 172.9 | 167.6 | 0 | 112.1 | A75 E76 A79 L106 V107 Q108 D112 A113 Y114 | A75-K110 HydrophobicContact CB-CG 4.5Å; E76-K110 HydrophobicContact CG-CD 3.83Å; E76-K110 HydrophobicContact CG-CG 4.25Å; E76-K110 IonicContact OE1-NZ 3.98Å; E76-K110 PolarHBondContact OE1-NZ 3.29Å; A79-K110 HydrophobicContact CB-CB 3.59Å; L106-K110 VanDerWaalsContact O-CG 3.3Å; L106-K110 WeakPolarHBondContact O-CG 3.37Å; L106-K110 PolarHBondContact O-N 2.88Å; L106-K110 VanDerWaalsContact O-N 3.13Å; V107-K110 PolarHBondContact O-N 2.81Å; Q108-K110 VanDerWaalsContact C-N 3.3Å; Q108-K110 PolarHBondContact O-N 2.82Å; K110-D112 VanDerWaalsContact C-N 3.31Å; K110-D112 PolarHBondContact O-N 2.8Å; K110-A113 PolarHBondContact O-N 3.44Å; K110-Y114 VanDerWaalsContact O-CD2 3.28Å; K110-Y114 WeakPolarHBondContact O-CD2 3.49Å; K110-Y114 PolarHBondContact O-N 3.01Å; K110-Y114 VanDerWaalsContact O-N 3.15Å |
| 111 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 175.2 | -70.1 | 176 | 0 | 0 | 0 | 111.8 | A79 C82 Y88 P89 V91 V107 Q108 A113 Y114 K115 | A79-L111 HydrophobicContact CB-CD2 4.25Å; C82-L111 HydrophobicContact CB-CD2 3.39Å; Y88-L111 HydrophobicContact CD2-CB 4.04Å; Y88-L111 HydrophobicContact CE2-CB 3.87Å; P89-L111 HydrophobicContact CG-CD1 4.25Å; V91-L111 HydrophobicContact CG2-CD1 3.83Å; V107-L111 HydrophobicContact CG1-CD1 3.85Å; V107-L111 HydrophobicContact CG1-CG 4.17Å; V107-L111 VanDerWaalsContact O-CG 3.29Å; V107-L111 WeakPolarHBondContact O-CG 3.44Å; V107-L111 PolarHBondContact O-N 3.12Å; Q108-L111 PolarHBondContact O-N 3.44Å; L111-A113 VanDerWaalsContact C-N 3.32Å; L111-A113 PolarHBondContact O-N 3.23Å; L111-Y114 PolarHBondContact O-N 2.83Å; L111-K115 WeakPolarHBondContact O-CB 3.31Å; L111-K115 PolarHBondContact O-N 3.33Å |
| 112 | D | 96.8 | Very high | 96 | Very high | 65 Ų | 65 | 46.1 Ų | 46.1 | 35% | 0.348 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.8 | -39.9 | 177.4 | -70.6 | -6.7 | 0 | 0 | 0 | 111.4 | Y88 Q108 K110 K115 A116 | Y88-D112 WeakPolarHBondContact CE2-OD1 3.42Å; Y88-D112 PolarHBondContact OH-OD1 2.87Å; Q108-D112 PolarHBondContact NE2-OD1 3.29Å; Q108-D112 VanDerWaalsContact O-CG 3.23Å; Q108-D112 PolarHBondContact O-N 2.92Å; K110-D112 VanDerWaalsContact C-N 3.31Å; K110-D112 PolarHBondContact O-N 2.8Å; D112-K115 PolarHBondContact O-N 3.27Å; D112-A116 WeakPolarHBondContact O-CB 3.3Å; D112-A116 PolarHBondContact O-N 3.36Å |
| 113 | A | 95 | Very high | 95.6 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 45% | 0.446 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | D109 K110 L111 K115 A116 D117 | D109-A113 PolarHBondContact O-N 2.86Å; K110-A113 PolarHBondContact O-N 3.44Å; L111-A113 VanDerWaalsContact C-N 3.32Å; L111-A113 PolarHBondContact O-N 3.23Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3Å; A113-A116 WeakPolarHBondContact O-CB 3.46Å; A113-A116 PolarHBondContact O-N 3.45Å; A113-D117 PolarHBondContact O-N 2.88Å |
| 114 | Y | 94.5 | Very high | 95.2 | Very high | 39 Ų | 39 | 51.1 Ų | 51.1 | 15% | 0.153 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.1 | -37.2 | 176.9 | -84.1 | -68.2 | 0 | 0 | 0 | 113.2 | N36 A79 A83 K110 L111 D117 D118 M121 | N36-Y114 HydrophobicContact CB-CE1 4.38Å; N36-Y114 PolarHBondContact OD1-OH 2.87Å; A79-Y114 HydrophobicContact CB-CD2 3.87Å; A79-Y114 HydrophobicContact CB-CE2 3.71Å; A83-Y114 HydrophobicContact CB-CD1 3.77Å; A83-Y114 HydrophobicContact CB-CD2 4.36Å; A83-Y114 HydrophobicContact CB-CE1 3.93Å; A83-Y114 HydrophobicContact CB-CE2 4.49Å; A83-Y114 HydrophobicContact CB-CG 4.02Å; K110-Y114 VanDerWaalsContact O-CD2 3.28Å; K110-Y114 WeakPolarHBondContact O-CD2 3.49Å; K110-Y114 PolarHBondContact O-N 3.01Å; K110-Y114 VanDerWaalsContact O-N 3.15Å; L111-Y114 PolarHBondContact O-N 2.83Å; Y114-D117 PolarHBondContact O-N 3.32Å; Y114-D118 PolarHBondContact O-N 2.89Å; Y114-M121 HydrophobicContact CG-CE 4.4Å |
| 115 | K | 95.2 | Very high | 94.6 | Very high | 54 Ų | 54 | 56.5 Ų | 56.5 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.7 | -30.9 | 177 | -179.4 | 63 | 175.1 | -179.6 | 0 | 112.3 | Y88 L111 D112 A113 D117 D118 P119 M121 | Y88-K115 HydrophobicContact CD2-CB 3.79Å; Y88-K115 HydrophobicContact CD2-CD 4.39Å; Y88-K115 HydrophobicContact CD2-CG 4.09Å; Y88-K115 HydrophobicContact CE2-CB 3.79Å; Y88-K115 HydrophobicContact CE2-CG 4.11Å; Y88-K115 HydrophobicContact CG-CD 4.4Å; Y88-K115 HydrophobicContact CG-CG 4.48Å; L111-K115 WeakPolarHBondContact O-CB 3.31Å; L111-K115 PolarHBondContact O-N 3.33Å; D112-K115 PolarHBondContact O-N 3.27Å; A113-K115 VanDerWaalsContact C-N 3.32Å; A113-K115 PolarHBondContact O-N 3Å; K115-D117 VanDerWaalsContact C-N 3.35Å; K115-D118 CarbonylContact O-C 3.57Å; K115-D118 VanDerWaalsContact O-C 3.23Å; K115-P119 WeakPolarHBondContact CE-O 3.47Å; K115-P119 PolarHBondContact NZ-O 3.49Å; K115-P119 WeakPolarHBondContact O-CA 3.25Å; K115-M121 HydrophobicContact CD-CB 3.97Å; K115-M121 WeakPolarHBondContact CD-O 3.41Å; K115-M121 WeakPolarHBondContact CE-O 3.44Å; K115-M121 PolarHBondContact NZ-O 3.06Å |
| 116 | A | 95.9 | Very high | 94.2 | Very high | 75 Ų | 75 | 55 Ų | 55 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -66.3 | -38.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D112 A113 | D112-A116 WeakPolarHBondContact O-CB 3.3Å; D112-A116 PolarHBondContact O-N 3.36Å; A113-A116 WeakPolarHBondContact O-CB 3.46Å; A113-A116 PolarHBondContact O-N 3.45Å |
| 117 | D | 93.1 | Very high | 93.9 | Very high | 143 Ų | 143 | 55.7 Ų | 55.7 | 77% | 0.765 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -77.8 | -37.5 | 178.1 | -70 | -18.9 | 0 | 0 | 0 | 113.1 | A113 Y114 K115 | A113-D117 PolarHBondContact O-N 2.88Å; Y114-D117 PolarHBondContact O-N 3.32Å; K115-D117 VanDerWaalsContact C-N 3.35Å |
| 118 | D | 93.1 | Very high | 93.6 | Very high | 47 Ų | 47 | 58.3 Ų | 58.3 | 25% | 0.251 | 35% | 0.347 | S | S | . | . | trans | -122.9 | 89.7 | 172.1 | -175.6 | 2.7 | 0 | 0 | 0 | 111.4 | K86 Y114 K115 T120 M121 | K86-D118 IonicContact NZ-OD2 3.42Å; Y114-D118 PolarHBondContact O-N 2.89Å; K115-D118 CarbonylContact O-C 3.57Å; K115-D118 VanDerWaalsContact O-C 3.23Å; D118-T120 PolarHBondContact O-N 2.95Å; D118-T120 WeakPolarHBondContact OD1-CB 3.44Å; D118-T120 PolarHBondContact OD1-N 3.29Å; D118-T120 PolarHBondContact OD1-OG1 2.83Å; D118-T120 PolarHBondContact OD2-OG1 3.43Å; D118-M121 VanDerWaalsContact O-CB 3.28Å; D118-M121 WeakPolarHBondContact O-CB 3.47Å; D118-M121 PolarHBondContact O-N 3.09Å | ||
| 119 | P | 94.8 | Very high | 93.4 | Very high | 78 Ų | 78 | 61 Ų | 61 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -14.3 | 177 | -26.8 | 35.9 | 0 | 0 | 0 | 114.5 | K115 M121 | K115-P119 WeakPolarHBondContact CE-O 3.47Å; K115-P119 PolarHBondContact NZ-O 3.49Å; K115-P119 WeakPolarHBondContact O-CA 3.25Å; P119-M121 VanDerWaalsContact C-N 3.3Å |
| 120 | T | 93.4 | Very high | 93.3 | Very high | 70 Ų | 70 | 57.3 Ų | 57.3 | 43% | 0.429 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -9.8 | 177.1 | 72.4 | 0 | 0 | 0 | 0 | 113.3 | D118 G122 E123 | D118-T120 PolarHBondContact O-N 2.95Å; D118-T120 WeakPolarHBondContact OD1-CB 3.44Å; D118-T120 PolarHBondContact OD1-N 3.29Å; D118-T120 PolarHBondContact OD1-OG1 2.83Å; D118-T120 PolarHBondContact OD2-OG1 3.43Å; T120-G122 PolarHBondContact O-N 3.4Å; T120-E123 WeakPolarHBondContact O-CB 3.4Å; T120-E123 PolarHBondContact O-N 3.48Å; T120-E123 VanDerWaalsContact O-N 3.09Å |
| 121 | M | 94.2 | Very high | 93.4 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | 124.1 | -179.1 | -175.2 | 178.8 | -66.9 | 0 | 0 | 111.9 | A83 E87 Y114 K115 D118 P119 E123 | A83-M121 HydrophobicContact CB-CE 3.82Å; E87-M121 WeakPolarHBondContact O-CG 3.35Å; Y114-M121 HydrophobicContact CG-CE 4.4Å; K115-M121 HydrophobicContact CD-CB 3.97Å; K115-M121 WeakPolarHBondContact CD-O 3.41Å; K115-M121 WeakPolarHBondContact CE-O 3.44Å; K115-M121 PolarHBondContact NZ-O 3.06Å; D118-M121 VanDerWaalsContact O-CB 3.28Å; D118-M121 WeakPolarHBondContact O-CB 3.47Å; D118-M121 PolarHBondContact O-N 3.09Å; P119-M121 VanDerWaalsContact C-N 3.3Å; M121-E123 VanDerWaalsContact C-N 3.26Å; M121-E123 PolarHBondContact O-N 2.66Å |
| 122 | G | 92.4 | Very high | 93.5 | Very high | 11 Ų | 11 | 54.1 Ų | 54.1 | 11% | 0.113 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 9.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | K86 T120 | K86-G122 PolarHBondContact O-N 2.9Å; T120-G122 PolarHBondContact O-N 3.4Å |
| 123 | E | 89.9 | Confident | 93.6 | Very high | 124 Ų | 124 | 51 Ų | 51 | 58% | 0.579 | 31% | 0.307 | S | S | * | . | trans | -75.1 | 146 | 173.4 | -69.9 | -164.9 | 161.6 | 0 | 0 | 112.4 | T120 M121 K127 | T120-E123 WeakPolarHBondContact O-CB 3.4Å; T120-E123 PolarHBondContact O-N 3.48Å; T120-E123 VanDerWaalsContact O-N 3.09Å; M121-E123 VanDerWaalsContact C-N 3.26Å; M121-E123 PolarHBondContact O-N 2.66Å; E123-K127 WeakPolarHBondContact O-CD 3.38Å | ||
| 124 | G | 88.6 | Confident | 93.8 | Very high | 39 Ų | 39 | 48.5 Ų | 48.5 | 40% | 0.402 | 29% | 0.286 | S | S | . | . | S | Bend | trans | 114.3 | 158 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D126 A128 | G124-D126 PolarHBondContact O-N 2.91Å; G124-A128 VanDerWaalsContact O-CB 3.26Å; G124-A128 WeakPolarHBondContact O-CB 3.22Å; G124-A128 PolarHBondContact O-N 3.47Å |
| 125 | P | 86.4 | Confident | 94 | Very high | 112 Ų | 112 | 46.6 Ų | 46.6 | 73% | 0.727 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -26.4 | -171.6 | 26.5 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 126 | D | 90.6 | Very high | 94.1 | Very high | 51 Ų | 51 | 44.2 Ų | 44.2 | 27% | 0.273 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -50.2 | 178.8 | -68.2 | -47.2 | 0 | 0 | 0 | 111.4 | G124 A128 R129 P437 K464 | G124-D126 PolarHBondContact O-N 2.91Å; D126-A128 VanDerWaalsContact C-N 3.32Å; D126-A128 PolarHBondContact O-N 3.08Å; D126-R129 WeakPolarHBondContact O-CB 3.49Å; D126-R129 PolarHBondContact O-N 3.32Å; D126-P437 HydrophobicContact CB-CG 4.21Å; D126-P437 WeakPolarHBondContact O-CA 3.32Å; D126-P437 WeakPolarHBondContact O-CB 3.31Å; D126-K464 WeakPolarHBondContact OD1-CE 3.32Å; D126-K464 IonicContact OD1-NZ 3.74Å |
| 127 | K | 92.1 | Very high | 94.2 | Very high | 51 Ų | 51 | 40.7 Ų | 40.7 | 22% | 0.222 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -63.3 | -32.5 | -179.3 | -65.6 | -176.9 | 162.7 | -75 | 0 | 114 | L85 K86 E87 E123 R129 S130 | L85-K127 PolarHBondContact O-NZ 3.18Å; K86-K127 PolarHBondContact O-NZ 3.03Å; E87-K127 IonicContact OE1-NZ 3.38Å; E87-K127 PolarHBondContact OE1-NZ 3.11Å; E123-K127 WeakPolarHBondContact O-CD 3.38Å; K127-R129 PolarHBondContact O-N 3.22Å; K127-R129 VanDerWaalsContact O-N 3.07Å; K127-S130 VanDerWaalsContact O-CB 3.31Å; K127-S130 WeakPolarHBondContact O-CB 3.35Å; K127-S130 PolarHBondContact O-N 3.48Å; K127-S130 PolarHBondContact O-OG 2.87Å |
| 128 | A | 90.2 | Very high | 94.4 | Very high | 55 Ų | 55 | 34.3 Ų | 34.3 | 46% | 0.455 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -63.8 | -13.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | G124 D126 | G124-A128 VanDerWaalsContact O-CB 3.26Å; G124-A128 WeakPolarHBondContact O-CB 3.22Å; G124-A128 PolarHBondContact O-N 3.47Å; D126-A128 VanDerWaalsContact C-N 3.32Å; D126-A128 PolarHBondContact O-N 3.08Å |
| 129 | R | 94 | Very high | 94.5 | Very high | 62 Ų | 62 | 32.6 Ų | 32.6 | 23% | 0.234 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -98.5 | -5.7 | 177 | -63.4 | 173 | 64.7 | -143.6 | 0.8 | 112.7 | D126 K127 P437 W465 | D126-R129 WeakPolarHBondContact O-CB 3.49Å; D126-R129 PolarHBondContact O-N 3.32Å; K127-R129 PolarHBondContact O-N 3.22Å; K127-R129 VanDerWaalsContact O-N 3.07Å; R129-P437 HydrophobicContact CB-CB 3.91Å; R129-P437 HydrophobicContact CB-CG 4.11Å; R129-P437 VanDerWaalsContact NH1-CG 3.34Å; R129-W465 HydrophobicContact CB-CH2 4.24Å; R129-W465 HydrophobicContact CB-CZ2 4.46Å; R129-W465 WeakPolarHBondContact O-CH2 3.29Å |
| 130 | S | 96.8 | Very high | 94.7 | Very high | 2 Ų | 2 | 29.1 Ų | 29.1 | 1% | 0.014 | 17% | 0.174 | C | C | . | . | trans | -61.5 | 146 | -177.5 | -63.2 | 0 | 0 | 0 | 0 | 111.9 | E87 P89 A90 K127 R438 | E87-S130 WeakPolarHBondContact OE2-CB 3.47Å; E87-S130 PolarHBondContact OE2-OG 3.16Å; P89-S130 WeakPolarHBondContact CA-O 3.41Å; A90-S130 PolarHBondContact N-O 2.91Å; K127-S130 VanDerWaalsContact O-CB 3.31Å; K127-S130 WeakPolarHBondContact O-CB 3.35Å; K127-S130 PolarHBondContact O-N 3.48Å; K127-S130 PolarHBondContact O-OG 2.87Å; S130-R438 CarbonylContact C-O 3.53Å; S130-R438 WeakPolarHBondContact CA-O 3.42Å; S130-R438 WeakPolarHBondContact CB-O 3.41Å; S130-R438 PolarHBondContact OG-N 2.87Å; S130-R438 VanDerWaalsContact OG-N 3.13Å | ||
| 131 | Q | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 147.2 | -179 | -68.1 | -179.9 | 80.6 | 0 | 0 | 109.8 | A90 R92 A391 Y403 R438 L439 M440 | A90-Q131 WeakPolarHBondContact O-CA 3.47Å; R92-Q131 VanDerWaalsContact CD-OE1 3.32Å; Q131-A391 PolarHBondContact NE2-O 3.21Å; Q131-Y403 PolarHBondContact OE1-OH 3.42Å; Q131-R438 PolarHBondContact N-O 3.29Å; Q131-L439 HydrophobicContact CB-CD1 3.83Å; Q131-M440 PolarHBondContact O-N 3.04Å |
| 132 | L | 98.7 | Very high | 95 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 121.5 | 170.3 | 171 | 62.1 | 0 | 0 | 0 | 108.2 | P89 A90 V91 R92 V107 M440 | P89-L132 HydrophobicContact CB-CB 3.94Å; P89-L132 HydrophobicContact CG-CB 3.68Å; P89-L132 HydrophobicContact CG-CD2 4.5Å; A90-L132 PolarHBondContact O-N 2.96Å; V91-L132 CarbonylContact C-O 3.59Å; V91-L132 WeakPolarHBondContact CA-O 3.43Å; R92-L132 PolarHBondContact N-O 2.86Å; V107-L132 HydrophobicContact CG1-CD2 3.71Å; L132-M440 CarbonylContact C-O 3.57Å; L132-M440 VanDerWaalsContact CA-O 3.29Å; L132-M440 WeakPolarHBondContact CA-O 3.38Å; L132-M440 HydrophobicContact CB-CB 4.37Å; L132-M440 HydrophobicContact CD1-CB 3.61Å |
| 133 | I | 98.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 123.7 | -179 | -53.8 | -178.6 | 0 | 0 | 0 | 109.8 | R92 L135 I387 A391 L396 Y401 L439 M440 V441 F442 | R92-I133 HydrophobicContact CB-CG1 4.27Å; R92-I133 WeakPolarHBondContact O-CA 3.24Å; I133-L135 HydrophobicContact CG2-CD2 3.83Å; I133-L135 HydrophobicContact CG2-CG 4.14Å; I133-I387 HydrophobicContact CD1-CG2 4.14Å; I133-A391 HydrophobicContact CD1-CB 3.68Å; I133-L396 HydrophobicContact CD1-CD2 3.75Å; I133-Y401 HydrophobicContact CG2-CD1 4.37Å; I133-L439 HydrophobicContact CD1-CD1 3.77Å; I133-L439 HydrophobicContact CG1-CD1 4.05Å; I133-M440 PolarHBondContact N-O 3.37Å; I133-V441 WeakPolarHBondContact O-CA 3.2Å; I133-F442 PolarHBondContact O-N 3.21Å |
| 134 | I | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 128.2 | 176 | -56.1 | -169.3 | 0 | 0 | 0 | 110.7 | R92 Y93 R94 N100 L103 A104 V107 F442 I444 | R92-I134 PolarHBondContact O-N 3.37Å; Y93-I134 CarbonylContact C-O 3.51Å; Y93-I134 WeakPolarHBondContact CA-O 3.34Å; R94-I134 PolarHBondContact N-O 3.4Å; N100-I134 HydrophobicContact CB-CG2 4.3Å; L103-I134 HydrophobicContact CB-CD1 4.48Å; L103-I134 HydrophobicContact CD2-CD1 4.27Å; L103-I134 HydrophobicContact CD2-CG2 3.93Å; L103-I134 HydrophobicContact CG-CD1 3.97Å; L103-I134 HydrophobicContact CG-CG2 4.47Å; A104-I134 HydrophobicContact CB-CD1 3.84Å; V107-I134 HydrophobicContact CG2-CD1 4.09Å; I134-F442 WeakPolarHBondContact CA-O 3.26Å; I134-F442 HydrophobicContact CG2-CD1 4.49Å; I134-I444 HydrophobicContact CG2-CD1 4.26Å |
| 135 | L | 98.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 148.6 | -177.5 | -55.4 | 175.6 | 0 | 0 | 0 | 110.5 | R94 I133 F139 I384 I387 Y401 V441 F442 I443 I444 | R94-L135 HydrophobicContact CB-CD2 3.88Å; I133-L135 HydrophobicContact CG2-CD2 3.83Å; I133-L135 HydrophobicContact CG2-CG 4.14Å; L135-F139 HydrophobicContact CB-CD1 4.28Å; L135-F139 HydrophobicContact CB-CG 4.47Å; L135-F139 HydrophobicContact CD1-CD2 4.22Å; L135-F139 HydrophobicContact CD1-CE1 4.33Å; L135-F139 HydrophobicContact CD1-CE2 4.05Å; L135-F139 HydrophobicContact CD1-CG 4.46Å; L135-F139 HydrophobicContact CD1-CZ 4.1Å; L135-I384 HydrophobicContact CD1-CD1 3.42Å; L135-I384 VanDerWaalsContact CD1-CD1 3.42Å; L135-I387 HydrophobicContact CD1-CD1 4.36Å; L135-Y401 HydrophobicContact CD2-CD1 4.33Å; L135-Y401 HydrophobicContact CD2-CE1 3.7Å; L135-V441 HydrophobicContact CD1-CG1 3.9Å; L135-F442 PolarHBondContact N-O 2.73Å; L135-I443 HydrophobicContact CB-CG1 4.28Å; L135-I443 HydrophobicContact CD1-CG1 4.26Å; L135-I443 CarbonylContact O-C 3.23Å; L135-I443 WeakPolarHBondContact O-CA 3.23Å; L135-I444 PolarHBondContact O-N 3.34Å |
| 136 | D | 98.2 | Very high | 96.8 | Very high | 3 Ų | 3 | 14.1 Ų | 14.1 | 2% | 0.016 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 149.9 | 167.4 | 60.8 | -70.2 | 0 | 0 | 0 | 110.2 | R94 Y97 N100 G138 F139 | R94-D136 IonicContact CZ-OD1 2.91Å; R94-D136 IonicContact NH1-OD1 3.42Å; R94-D136 PolarHBondContact NH1-OD1 3.07Å; R94-D136 IonicContact NH1-OD2 2.72Å; R94-D136 PolarHBondContact NH1-OD2 2.97Å; Y97-D136 VanDerWaalsContact CB-OD1 3.28Å; Y97-D136 WeakPolarHBondContact CB-OD1 3.33Å; Y97-D136 HydrophobicContact CD1-CB 3.58Å; Y97-D136 HydrophobicContact CD2-CB 4.18Å; Y97-D136 HydrophobicContact CE1-CB 4.14Å; Y97-D136 HydrophobicContact CG-CB 3.61Å; N100-D136 PolarHBondContact ND2-N 3.05Å; N100-D136 PolarHBondContact ND2-OD1 2.92Å; D136-G138 PolarHBondContact O-N 3.35Å; D136-G138 PolarHBondContact OD2-N 3.48Å; D136-F139 WeakPolarHBondContact O-CB 3.26Å; D136-F139 WeakPolarHBondContact O-CD1 3.12Å; D136-F139 PolarHBondContact O-N 3.08Å |
| 137 | R | 97.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.008 | 7% | 0.068 | C | C | . | . | G | 310 helix | trans | -55.4 | -28.2 | -177 | -167.8 | 58.1 | -86.8 | 175 | -8 | 114.8 | Y59 F139 D140 L348 I444 G446 E451 | Y59-R137 HydrophobicContact CE2-CB 4.21Å; Y59-R137 PolarHBondContact OH-N 2.9Å; R137-F139 PolarHBondContact O-N 3.39Å; R137-F139 VanDerWaalsContact O-N 3.11Å; R137-D140 PolarHBondContact NH2-O 3.08Å; R137-L348 HydrophobicContact CB-CD2 3.9Å; R137-L348 HydrophobicContact CB-CG 4.48Å; R137-L348 HydrophobicContact CG-CD2 3.71Å; R137-I444 WeakPolarHBondContact CB-O 3.37Å; R137-I444 PolarHBondContact N-O 3.34Å; R137-I444 VanDerWaalsContact N-O 3.09Å; R137-G446 VanDerWaalsContact CD-O 3.3Å; R137-G446 WeakPolarHBondContact CD-O 3.28Å; R137-G446 PolarHBondContact NH1-O 2.98Å; R137-E451 IonicContact CZ-OE1 3.53Å; R137-E451 IonicContact CZ-OE2 2.84Å; R137-E451 IonicContact NH1-OE1 3.13Å; R137-E451 PolarHBondContact NH1-OE1 3.49Å; R137-E451 IonicContact NH1-OE2 2.71Å; R137-E451 PolarHBondContact NH1-OE2 3.48Å; R137-E451 IonicContact NH2-OE1 2.78Å; R137-E451 PolarHBondContact NH2-OE1 3.29Å; R137-E451 IonicContact NH2-OE2 3.8Å |
| 138 | G | 96.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 10.3 Ų | 10.3 | 9% | 0.093 | 6% | 0.061 | C | C | . | . | G | 310 helix | trans | -66.9 | -4.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115 | D136 D140 L348 | D136-G138 PolarHBondContact O-N 3.35Å; D136-G138 PolarHBondContact OD2-N 3.48Å; G138-D140 VanDerWaalsContact C-N 3.33Å; G138-L348 WeakPolarHBondContact CA-O 3.48Å |
| 139 | F | 96.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 7.9 Ų | 7.9 | 5% | 0.048 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -66.3 | -34.9 | 178.6 | 89.1 | -76.8 | 0 | 0 | 0 | 113.7 | R94 L135 D136 R137 L383 I384 I387 I443 E451 | R94-F139 VanDerWaalsContact CZ-CA 3.41Å; L135-F139 HydrophobicContact CB-CD1 4.28Å; L135-F139 HydrophobicContact CB-CG 4.47Å; L135-F139 HydrophobicContact CD1-CD2 4.22Å; L135-F139 HydrophobicContact CD1-CE1 4.33Å; L135-F139 HydrophobicContact CD1-CE2 4.05Å; L135-F139 HydrophobicContact CD1-CG 4.46Å; L135-F139 HydrophobicContact CD1-CZ 4.1Å; D136-F139 WeakPolarHBondContact O-CB 3.26Å; D136-F139 WeakPolarHBondContact O-CD1 3.12Å; D136-F139 PolarHBondContact O-N 3.08Å; R137-F139 PolarHBondContact O-N 3.39Å; R137-F139 VanDerWaalsContact O-N 3.11Å; F139-L383 HydrophobicContact CD2-CD2 4.17Å; F139-L383 HydrophobicContact CE2-CB 4.43Å; F139-L383 WeakPolarHBondContact O-CD2 3.45Å; F139-I384 HydrophobicContact CE2-CB 4.07Å; F139-I384 HydrophobicContact CE2-CD1 4.33Å; F139-I384 HydrophobicContact CZ-CB 4.09Å; F139-I384 HydrophobicContact CZ-CD1 4.44Å; F139-I387 HydrophobicContact CD2-CD1 3.85Å; F139-I387 HydrophobicContact CE2-CD1 3.97Å; F139-I443 HydrophobicContact CE1-CD1 3.88Å; F139-I443 HydrophobicContact CE1-CG1 4.14Å; F139-I443 HydrophobicContact CE1-CG2 4.07Å; F139-I443 HydrophobicContact CZ-CD1 4.03Å; F139-E451 VanDerWaalsContact CZ-OE1 3.23Å; F139-E451 WeakPolarHBondContact CZ-OE1 3.3Å |
| 140 | D | 97.4 | Very high | 98 | Very high | 4 Ų | 4 | 5.6 Ų | 5.6 | 2% | 0.021 | 3% | 0.033 | C | C | . | . | trans | -144.4 | 93.2 | 177.2 | -175.5 | -6.9 | 0 | 0 | 0 | 108 | R137 G138 V142 S143 P144 L383 | R137-D140 PolarHBondContact NH2-O 3.08Å; G138-D140 VanDerWaalsContact C-N 3.33Å; D140-V142 VanDerWaalsContact C-N 3.29Å; D140-V142 WeakPolarHBondContact OD1-CB 3.47Å; D140-V142 PolarHBondContact OD1-N 3.02Å; D140-S143 VanDerWaalsContact CG-OG 3.26Å; D140-S143 PolarHBondContact OD1-N 3.31Å; D140-S143 PolarHBondContact OD1-OG 3.27Å; D140-S143 WeakPolarHBondContact OD2-CB 3.42Å; D140-S143 PolarHBondContact OD2-OG 3.14Å; D140-P144 WeakPolarHBondContact O-CD 3.42Å; D140-P144 WeakPolarHBondContact O-CG 3.35Å; D140-L383 HydrophobicContact CB-CB 4.03Å; D140-L383 WeakPolarHBondContact OD2-CB 3.31Å; D140-L383 PolarHBondContact OD2-N 2.67Å | ||
| 141 | P | 97.1 | Very high | 98.1 | Very high | 23 Ų | 23 | 5.5 Ų | 5.5 | 15% | 0.149 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -83.4 | -7.2 | 175.7 | 35.1 | -36.4 | 0 | 0 | 0 | 112.5 | F315 V350 | P141-F315 HydrophobicContact CB-CD1 4.49Å; P141-F315 HydrophobicContact CB-CD2 4.32Å; P141-F315 HydrophobicContact CB-CE1 4.04Å; P141-F315 HydrophobicContact CB-CE2 3.83Å; P141-F315 HydrophobicContact CB-CZ 3.67Å; P141-F315 HydrophobicContact CG-CD1 4.18Å; P141-F315 HydrophobicContact CG-CD2 4.22Å; P141-F315 HydrophobicContact CG-CE1 4.21Å; P141-F315 HydrophobicContact CG-CE2 4.23Å; P141-F315 HydrophobicContact CG-CG 4.21Å; P141-F315 HydrophobicContact CG-CZ 4.22Å; P141-F315 WeakPolarHBondContact O-CE2 3.29Å; P141-V350 HydrophobicContact CB-CG1 4.18Å; P141-V350 HydrophobicContact CB-CG2 3.87Å; P141-V350 HydrophobicContact CG-CG1 3.95Å; P141-V350 HydrophobicContact CG-CG2 4.09Å |
| 142 | V | 98.2 | Very high | 98.2 | Very high | 15 Ų | 15 | 5.6 Ų | 5.6 | 9% | 0.091 | 3% | 0.033 | C | C | . | . | S | Bend | trans | -82.4 | -52.8 | -177.1 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | D140 P144 V145 L146 A275 L312 F315 W380 | D140-V142 VanDerWaalsContact C-N 3.29Å; D140-V142 WeakPolarHBondContact OD1-CB 3.47Å; D140-V142 PolarHBondContact OD1-N 3.02Å; V142-P144 VanDerWaalsContact C-CD 3.42Å; V142-P144 VanDerWaalsContact C-N 3.32Å; V142-V145 WeakPolarHBondContact O-CG2 3.34Å; V142-V145 PolarHBondContact O-N 3.05Å; V142-V145 VanDerWaalsContact O-N 3.12Å; V142-L146 HydrophobicContact CG1-CD1 3.69Å; V142-L146 HydrophobicContact CG1-CG 4.1Å; V142-L146 PolarHBondContact O-N 3.44Å; V142-A275 HydrophobicContact CG1-CB 3.76Å; V142-L312 HydrophobicContact CB-CD2 4.41Å; V142-L312 HydrophobicContact CG1-CD2 3.77Å; V142-L312 HydrophobicContact CG2-CD2 4.49Å; V142-F315 HydrophobicContact CG2-CB 4.1Å; V142-F315 HydrophobicContact CG2-CD2 3.83Å; V142-F315 HydrophobicContact CG2-CG 4.34Å; V142-W380 HydrophobicContact CB-CH2 3.82Å; V142-W380 HydrophobicContact CB-CZ2 3.62Å; V142-W380 HydrophobicContact CG1-CD2 3.94Å; V142-W380 HydrophobicContact CG1-CE3 4.13Å; V142-W380 HydrophobicContact CG1-CH2 3.69Å; V142-W380 HydrophobicContact CG1-CZ2 3.51Å; V142-W380 HydrophobicContact CG1-CZ3 3.99Å; V142-W380 HydrophobicContact CG2-CH2 4.15Å; V142-W380 HydrophobicContact CG2-CZ2 4.43Å |
| 143 | S | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.021 | 4% | 0.036 | C | C | . | . | G | 310 helix | trans | -54.7 | -38.5 | -177 | -60.8 | 0 | 0 | 0 | 0 | 114.7 | D140 V145 W380 P382 | D140-S143 VanDerWaalsContact CG-OG 3.26Å; D140-S143 PolarHBondContact OD1-N 3.31Å; D140-S143 PolarHBondContact OD1-OG 3.27Å; D140-S143 WeakPolarHBondContact OD2-CB 3.42Å; D140-S143 PolarHBondContact OD2-OG 3.14Å; S143-V145 VanDerWaalsContact C-N 3.29Å; S143-V145 PolarHBondContact O-N 3.12Å; S143-W380 PolarHBondContact OG-NE1 3.12Å; S143-P382 VanDerWaalsContact OG-CA 3.25Å; S143-P382 WeakPolarHBondContact OG-CA 3.34Å; S143-P382 WeakPolarHBondContact OG-CB 3.26Å |
| 144 | P | 98.4 | Very high | 98.1 | Very high | 3 Ų | 3 | 6 Ų | 6 | 2% | 0.019 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -66.9 | -20 | 178.5 | -30.3 | 41.6 | 0 | 0 | 0 | 116.6 | D140 V142 F475 P477 L480 | D140-P144 WeakPolarHBondContact O-CD 3.42Å; D140-P144 WeakPolarHBondContact O-CG 3.35Å; V142-P144 VanDerWaalsContact C-CD 3.42Å; V142-P144 VanDerWaalsContact C-N 3.32Å; P144-F475 HydrophobicContact CB-CE2 3.59Å; P144-F475 HydrophobicContact CB-CZ 3.62Å; P144-F475 HydrophobicContact CG-CE2 4.29Å; P144-F475 HydrophobicContact CG-CZ 3.88Å; P144-P477 WeakPolarHBondContact O-CA 3.25Å; P144-P477 WeakPolarHBondContact O-CG 3.4Å; P144-L480 HydrophobicContact CB-CD2 3.44Å; P144-L480 VanDerWaalsContact CB-CD2 3.44Å; P144-L480 HydrophobicContact CG-CD2 4.47Å |
| 145 | V | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.037 | C | C | . | . | G | 310 helix | trans | -112.2 | -4.4 | -172.4 | -59 | 0 | 0 | 0 | 0 | 113.5 | V142 S143 R308 L311 L312 F315 L480 | V142-V145 WeakPolarHBondContact O-CG2 3.34Å; V142-V145 PolarHBondContact O-N 3.05Å; V142-V145 VanDerWaalsContact O-N 3.12Å; S143-V145 VanDerWaalsContact C-N 3.29Å; S143-V145 PolarHBondContact O-N 3.12Å; V145-R308 HydrophobicContact CB-CG 4.32Å; V145-R308 PolarHBondContact O-NE 3.28Å; V145-R308 PolarHBondContact O-NH2 3.05Å; V145-L311 HydrophobicContact CG1-CD1 4.32Å; V145-L312 HydrophobicContact CG2-CD2 3.81Å; V145-L312 HydrophobicContact CG2-CG 3.97Å; V145-F315 HydrophobicContact CG2-CE2 4.09Å; V145-L480 HydrophobicContact CG1-CD2 4.05Å |
| 146 | L | 98.5 | Very high | 98.1 | Very high | 2 Ų | 2 | 6.8 Ų | 6.8 | 1% | 0.01 | 4% | 0.04 | C | C | . | . | S | Bend | trans | -77.6 | 143.3 | 178.1 | -77.3 | 172.9 | 0 | 0 | 0 | 111.9 | V142 E148 E271 A275 R308 L312 W380 | V142-L146 HydrophobicContact CG1-CD1 3.69Å; V142-L146 HydrophobicContact CG1-CG 4.1Å; V142-L146 PolarHBondContact O-N 3.44Å; L146-E148 PolarHBondContact O-N 3.43Å; L146-E271 HydrophobicContact CD2-CB 3.72Å; L146-E271 HydrophobicContact CD2-CG 4.42Å; L146-A275 HydrophobicContact CD1-CB 4.1Å; L146-A275 HydrophobicContact CD2-CB 4.09Å; L146-R308 PolarHBondContact O-NH2 3.49Å; L146-R308 VanDerWaalsContact O-NH2 3.14Å; L146-L312 HydrophobicContact CD2-CD1 3.76Å; L146-L312 HydrophobicContact CD2-CD2 3.96Å; L146-L312 HydrophobicContact CG-CD2 4.26Å; L146-W380 HydrophobicContact CD1-CB 3.74Å; L146-W380 HydrophobicContact CD1-CD2 3.97Å; L146-W380 HydrophobicContact CD1-CG 3.36Å |
| 147 | H | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 7.7 Ų | 7.7 | 2% | 0.023 | 5% | 0.045 | C | C | . | . | P | Polyproline II helix | trans | -71.7 | 116.4 | 163.6 | -75.1 | 94.9 | 0 | 0 | 0 | 109 | D157 V264 E271 D305 R308 | H147-D157 IonicContact CD2-OD2 3.24Å; H147-D157 PolarHBondContact CD2-OD2 3.13Å; H147-D157 IonicContact CG-OD2 2.66Å; H147-D157 IonicContact NE2-OD2 3.17Å; H147-V264 HydrophobicContact CB-CG1 4.44Å; H147-E271 WeakPolarHBondContact CB-OE2 3.48Å; H147-E271 IonicContact CE1-OE1 3.6Å; H147-E271 IonicContact CG-OE1 3.32Å; H147-E271 IonicContact CG-OE2 2.72Å; H147-E271 PolarHBondContact N-OE2 2.98Å; H147-E271 IonicContact ND1-OE1 2.81Å; H147-E271 PolarHBondContact ND1-OE1 3.46Å; H147-E271 IonicContact ND1-OE2 3.25Å; H147-E271 PolarHBondContact ND1-OE2 2.72Å; H147-D305 IonicContact CE1-OD1 3.72Å; H147-D305 PolarHBondContact CE1-OD1 3.05Å; H147-D305 VanDerWaalsContact CE1-OD1 3.26Å; H147-D305 IonicContact NE2-OD1 3.98Å; H147-R308 PolarHBondContact CD2-NH2 3.48Å; H147-R308 PolarHBondContact CE1-NH1 3Å; H147-R308 VanDerWaalsContact CG-NH2 3.29Å; H147-R308 VanDerWaalsContact N-NH2 3.13Å; H147-R308 PolarHBondContact ND1-NH2 2.97Å; H147-R308 PolarHBondContact NE2-NH1 2.85Å |
| 148 | E | 98.1 | Very high | 98.1 | Very high | 16 Ų | 16 | 8.8 Ų | 8.8 | 8% | 0.075 | 5% | 0.051 | C | C | . | . | P | Polyproline II helix | trans | -99.4 | 142.7 | 179.9 | -80.3 | -82.9 | 174.8 | 0 | 0 | 110.9 | L146 A153 M154 S450 R453 | L146-E148 PolarHBondContact O-N 3.43Å; E148-A153 HydrophobicContact CB-CB 3.57Å; E148-A153 HydrophobicContact CG-CB 4.36Å; E148-M154 WeakPolarHBondContact O-CA 3.41Å; E148-M154 WeakPolarHBondContact O-CB 3.29Å; E148-S450 VanDerWaalsContact CD-CB 3.41Å; E148-S450 WeakPolarHBondContact OE1-CB 3.43Å; E148-R453 IonicContact OE1-NH2 3.21Å; E148-R453 IonicContact OE2-CZ 2.78Å; E148-R453 IonicContact OE2-NH1 3.15Å; E148-R453 PolarHBondContact OE2-NH1 3.2Å; E148-R453 IonicContact OE2-NH2 2.66Å |
| 149 | L | 98.3 | Very high | 98.2 | Very high | 4 Ų | 4 | 9 Ų | 9 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | trans | -110.9 | 14.5 | -174.3 | -56.9 | -178 | 0 | 0 | 0 | 113.2 | M154 I198 Y260 L377 | L149-M154 HydrophobicContact CD2-CE 4.14Å; L149-M154 HydrophobicContact CD2-SD 4.17Å; L149-I198 HydrophobicContact CB-CG2 4.25Å; L149-I198 PolarHBondContact O-N 3.35Å; L149-Y260 HydrophobicContact CD1-CE2 4.13Å; L149-Y260 HydrophobicContact CD2-CD2 3.81Å; L149-Y260 HydrophobicContact CD2-CE2 3.69Å; L149-L377 HydrophobicContact CD1-CB 3.81Å | ||
| 150 | T | 98.4 | Very high | 98.2 | Very high | 14 Ų | 14 | 13.4 Ų | 13.4 | 9% | 0.086 | 8% | 0.079 | C | C | . | . | B | Isolated β-bridge | trans | -88.3 | 143.6 | 166.7 | 57.8 | 0 | 0 | 0 | 0 | 110.7 | Q152 A153 M154 K196 R453 | T150-Q152 PolarHBondContact O-N 3.23Å; T150-A153 PolarHBondContact O-N 3.44Å; T150-A153 VanDerWaalsContact O-N 3.12Å; T150-M154 WeakPolarHBondContact O-CB 3.5Å; T150-M154 PolarHBondContact O-N 3.18Å; T150-K196 CarbonylContact C-O 3.45Å; T150-K196 VanDerWaalsContact CA-O 3.29Å; T150-K196 WeakPolarHBondContact CA-O 3.31Å; T150-R453 PolarHBondContact OG1-NH1 3.23Å |
| 151 | F | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -51 | -50.1 | -159.9 | -166.6 | -147.3 | 0 | 0 | 0 | 115.4 | G155 W190 L193 R194 K196 I198 V201 H249 L252 A253 | F151-G155 PolarHBondContact O-N 3.29Å; F151-W190 HydrophobicContact CD1-CE3 4.28Å; F151-W190 AromaticContact CD1-CZ3 3.97Å; F151-W190 HydrophobicContact CD1-CZ3 3.97Å; F151-W190 HydrophobicContact CE1-CE3 4.17Å; F151-W190 HydrophobicContact CE1-CZ3 4.02Å; F151-L193 WeakPolarHBondContact CB-O 3.49Å; F151-L193 HydrophobicContact CD1-CB 3.7Å; F151-L193 HydrophobicContact CE1-CB 4.03Å; F151-L193 HydrophobicContact CE1-CD1 4.21Å; F151-R194 PolarHBondContact N-O 2.99Å; F151-K196 PolarHBondContact N-O 3.02Å; F151-I198 HydrophobicContact CD2-CD1 3.97Å; F151-I198 HydrophobicContact CE2-CD1 4.35Å; F151-V201 HydrophobicContact CB-CG2 3.8Å; F151-V201 HydrophobicContact CD1-CG1 4.04Å; F151-V201 HydrophobicContact CD1-CG2 4.3Å; F151-V201 HydrophobicContact CD2-CG1 4.02Å; F151-V201 HydrophobicContact CD2-CG2 4.16Å; F151-V201 HydrophobicContact CE1-CG1 3.92Å; F151-V201 HydrophobicContact CE2-CG1 3.91Å; F151-V201 HydrophobicContact CG-CG1 4.08Å; F151-V201 HydrophobicContact CG-CG2 3.85Å; F151-V201 HydrophobicContact CZ-CG1 3.84Å; F151-H249 AromaticContact CE1-ND1 3.72Å; F151-H249 HydrophobicContact CZ-CB 4.47Å; F151-L252 HydrophobicContact CE1-CD2 4.1Å; F151-L252 HydrophobicContact CE2-CB 4.23Å; F151-L252 HydrophobicContact CE2-CD2 3.96Å; F151-L252 HydrophobicContact CE2-CG 3.73Å; F151-L252 HydrophobicContact CZ-CB 3.95Å; F151-L252 HydrophobicContact CZ-CD2 3.55Å; F151-L252 HydrophobicContact CZ-CG 3.7Å; F151-A253 HydrophobicContact CE2-CB 4.01Å; F151-A253 HydrophobicContact CZ-CB 4.4Å |
| 152 | Q | 98.7 | Very high | 98.1 | Very high | 3 Ų | 3 | 19.5 Ų | 19.5 | 1% | 0.014 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -67.7 | -51.6 | 178.9 | 173.1 | -177.2 | 38.2 | 0 | 0 | 112.2 | E43 T150 M154 G155 Y156 W190 R194 H195 F449 | E43-Q152 PolarHBondContact OE1-NE2 3.04Å; T150-Q152 PolarHBondContact O-N 3.23Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.95Å; Q152-G155 PolarHBondContact O-N 3.45Å; Q152-Y156 HydrophobicContact CG-CD2 4.11Å; Q152-Y156 HydrophobicContact CG-CE2 4.11Å; Q152-Y156 VanDerWaalsContact O-CD2 3.24Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.39Å; Q152-Y156 PolarHBondContact O-N 3.32Å; Q152-W190 HydrophobicContact CB-CH2 3.69Å; Q152-W190 HydrophobicContact CB-CZ2 3.82Å; Q152-W190 HydrophobicContact CG-CH2 3.97Å; Q152-W190 HydrophobicContact CG-CZ2 3.72Å; Q152-R194 HydrophobicContact CB-CB 3.84Å; Q152-R194 VanDerWaalsContact CB-O 3.3Å; Q152-R194 WeakPolarHBondContact CB-O 3.14Å; Q152-R194 PolarHBondContact N-O 3.12Å; Q152-H195 PolarHBondContact OE1-CE1 2.76Å; Q152-F449 VanDerWaalsContact CD-CD1 3.47Å; Q152-F449 HydrophobicContact CG-CD1 3.5Å; Q152-F449 VanDerWaalsContact CG-CD1 3.5Å; Q152-F449 HydrophobicContact CG-CE1 3.85Å; Q152-F449 HydrophobicContact CG-CG 4.2Å |
| 153 | A | 98.6 | Very high | 97.9 | Very high | 8 Ų | 8 | 25.7 Ų | 25.7 | 7% | 0.066 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E148 T150 D157 F449 | E148-A153 HydrophobicContact CB-CB 3.57Å; E148-A153 HydrophobicContact CG-CB 4.36Å; T150-A153 PolarHBondContact O-N 3.44Å; T150-A153 VanDerWaalsContact O-N 3.12Å; A153-D157 WeakPolarHBondContact O-CB 3.3Å; A153-D157 PolarHBondContact O-N 2.93Å; A153-D157 VanDerWaalsContact O-N 3.12Å; A153-F449 HydrophobicContact CB-CB 3.61Å |
| 154 | M | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -66 | -45.3 | 177.9 | -169.9 | 179 | -177.4 | 0 | 0 | 112.3 | E148 L149 T150 Q152 D157 L158 I198 C256 Y260 | E148-M154 WeakPolarHBondContact O-CA 3.41Å; E148-M154 WeakPolarHBondContact O-CB 3.29Å; L149-M154 HydrophobicContact CD2-CE 4.14Å; L149-M154 HydrophobicContact CD2-SD 4.17Å; T150-M154 WeakPolarHBondContact O-CB 3.5Å; T150-M154 PolarHBondContact O-N 3.18Å; Q152-M154 VanDerWaalsContact C-N 3.28Å; Q152-M154 PolarHBondContact O-N 2.95Å; M154-D157 PolarHBondContact O-N 3.37Å; M154-L158 HydrophobicContact CE-CD1 3.65Å; M154-L158 HydrophobicContact CG-CD1 3.78Å; M154-L158 HydrophobicContact CG-CG 4.36Å; M154-L158 WeakPolarHBondContact O-CB 3.4Å; M154-L158 WeakPolarHBondContact O-CG 3.27Å; M154-L158 PolarHBondContact O-N 3.04Å; M154-I198 HydrophobicContact CE-CG1 4.37Å; M154-I198 HydrophobicContact CE-CG2 4.43Å; M154-I198 HydrophobicContact SD-CB 3.66Å; M154-I198 HydrophobicContact SD-CD1 4.22Å; M154-I198 HydrophobicContact SD-CG1 3.69Å; M154-I198 HydrophobicContact SD-CG2 3.76Å; M154-C256 HydrophobicContact CE-CB 3.98Å; M154-C256 WeakPolarHBondContact CE-O 3.41Å; M154-C256 HydrophobicContact CG-CB 4.37Å; M154-C256 HydrophobicContact SD-CB 4Å; M154-Y260 HydrophobicContact CE-CD2 3.95Å; M154-Y260 HydrophobicContact CE-CG 3.96Å |
| 155 | G | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.1 | -44.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | F151 Q152 L159 I161 | F151-G155 PolarHBondContact O-N 3.29Å; Q152-G155 PolarHBondContact O-N 3.45Å; G155-L159 WeakPolarHBondContact O-CB 3.36Å; G155-L159 PolarHBondContact O-N 2.99Å; G155-I161 WeakPolarHBondContact O-CD1 3.35Å |
| 156 | Y | 98.6 | Very high | 97.7 | Very high | 16 Ų | 16 | 29.1 Ų | 29.1 | 6% | 0.063 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -74.8 | -25.2 | 179.9 | -80 | -108.2 | 0 | 0 | 0 | 113.4 | Q152 I161 D164 L183 W190 F449 T476 | Q152-Y156 HydrophobicContact CG-CD2 4.11Å; Q152-Y156 HydrophobicContact CG-CE2 4.11Å; Q152-Y156 VanDerWaalsContact O-CD2 3.24Å; Q152-Y156 WeakPolarHBondContact O-CD2 3.39Å; Q152-Y156 PolarHBondContact O-N 3.32Å; Y156-I161 HydrophobicContact CD1-CB 4.29Å; Y156-I161 HydrophobicContact CD1-CG2 4.03Å; Y156-I161 HydrophobicContact CD2-CD1 3.99Å; Y156-I161 HydrophobicContact CE1-CB 4.41Å; Y156-I161 HydrophobicContact CE1-CG2 3.64Å; Y156-I161 HydrophobicContact CE2-CD1 4.2Å; Y156-I161 HydrophobicContact CE2-CG2 4.24Å; Y156-I161 HydrophobicContact CG-CD1 4.38Å; Y156-I161 HydrophobicContact CG-CG2 4.49Å; Y156-D164 WeakPolarHBondContact OH-CA 3.49Å; Y156-D164 WeakPolarHBondContact OH-CB 3.48Å; Y156-D164 PolarHBondContact OH-OD1 3.4Å; Y156-L183 HydrophobicContact CE2-CD1 4.02Å; Y156-W190 HydrophobicContact CE2-CH2 4.06Å; Y156-W190 HydrophobicContact CE2-CZ2 4.05Å; Y156-F449 HydrophobicContact CD1-CE1 4.33Å; Y156-F449 AromaticContact CD1-CE2 3.69Å; Y156-F449 HydrophobicContact CD1-CE2 3.69Å; Y156-F449 AromaticContact CD1-CZ 3.38Å; Y156-F449 HydrophobicContact CD1-CZ 3.38Å; Y156-F449 HydrophobicContact CD2-CE1 4.43Å; Y156-F449 HydrophobicContact CD2-CE2 4.46Å; Y156-F449 HydrophobicContact CD2-CZ 4.12Å; Y156-F449 HydrophobicContact CE1-CE1 4.42Å; Y156-F449 HydrophobicContact CE1-CE2 4.49Å; Y156-F449 AromaticContact CE1-CZ 3.73Å; Y156-F449 HydrophobicContact CE1-CZ 3.73Å; Y156-F449 HydrophobicContact CE2-CZ 4.43Å; Y156-F449 HydrophobicContact CG-CD2 4.43Å; Y156-F449 HydrophobicContact CG-CE1 4.31Å; Y156-F449 AromaticContact CG-CE2 3.66Å; Y156-F449 HydrophobicContact CG-CE2 3.66Å; Y156-F449 AromaticContact CG-CZ 3.58Å; Y156-F449 HydrophobicContact CG-CZ 3.58Å; Y156-T476 VanDerWaalsContact O-CG2 3.31Å; Y156-T476 WeakPolarHBondContact O-CG2 3.27Å |
| 157 | D | 98.4 | Very high | 97.6 | Very high | 21 Ų | 21 | 34 Ų | 34 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -77.9 | -45.8 | 174.8 | -172 | 19.8 | 0 | 0 | 0 | 111.6 | H147 A153 M154 R308 P477 | H147-D157 IonicContact CD2-OD2 3.24Å; H147-D157 PolarHBondContact CD2-OD2 3.13Å; H147-D157 IonicContact CG-OD2 2.66Å; H147-D157 IonicContact NE2-OD2 3.17Å; A153-D157 WeakPolarHBondContact O-CB 3.3Å; A153-D157 PolarHBondContact O-N 2.93Å; A153-D157 VanDerWaalsContact O-N 3.12Å; M154-D157 PolarHBondContact O-N 3.37Å; D157-R308 IonicContact OD1-CZ 2.9Å; D157-R308 IonicContact OD1-NH1 3.54Å; D157-R308 PolarHBondContact OD1-NH1 2.86Å; D157-R308 IonicContact OD1-NH2 3.54Å; D157-R308 IonicContact OD2-CZ 2.66Å; D157-R308 IonicContact OD2-NH1 2.86Å; D157-R308 PolarHBondContact OD2-NH1 2.85Å; D157-R308 IonicContact OD2-NH2 3.98Å; D157-R308 PolarHBondContact OD2-NH2 3.02Å; D157-P477 HydrophobicContact CB-CG 4.47Å; D157-P477 WeakPolarHBondContact OD1-CG 3.47Å |
| 158 | L | 98 | Very high | 97.3 | Very high | 26 Ų | 26 | 34.2 Ų | 34.2 | 14% | 0.136 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -94.1 | -19.4 | -168.6 | -61.3 | -174.4 | 0 | 0 | 0 | 115 | M154 H259 V264 | M154-L158 HydrophobicContact CE-CD1 3.65Å; M154-L158 HydrophobicContact CG-CD1 3.78Å; M154-L158 HydrophobicContact CG-CG 4.36Å; M154-L158 WeakPolarHBondContact O-CB 3.4Å; M154-L158 WeakPolarHBondContact O-CG 3.27Å; M154-L158 PolarHBondContact O-N 3.04Å; L158-H259 HydrophobicContact CB-CB 4.07Å; L158-H259 HydrophobicContact CD1-CB 4.25Å; L158-H259 PolarHBondContact O-ND1 3.29Å; L158-V264 HydrophobicContact CD1-CG1 4.41Å; L158-V264 HydrophobicContact CD2-CG1 4.33Å; L158-V264 HydrophobicContact CD2-CG2 3.99Å |
| 159 | L | 97.9 | Very high | 96.8 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.068 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -118.4 | 152.2 | -173.8 | -50 | 176.4 | 0 | 0 | 0 | 110.7 | G155 I161 Y166 L252 D255 | G155-L159 WeakPolarHBondContact O-CB 3.36Å; G155-L159 PolarHBondContact O-N 2.99Å; L159-I161 HydrophobicContact CB-CG1 4.24Å; L159-I161 PolarHBondContact O-N 2.9Å; L159-Y166 HydrophobicContact CD1-CE2 4.28Å; L159-L252 HydrophobicContact CD1-CD1 3.42Å; L159-L252 VanDerWaalsContact CD1-CD1 3.42Å; L159-D255 HydrophobicContact CD1-CB 3.95Å; L159-D255 HydrophobicContact CD2-CB 3.88Å |
| 160 | P | 96.4 | Very high | 95.7 | Very high | 104 Ų | 104 | 41.4 Ų | 41.4 | 68% | 0.675 | 22% | 0.215 | S | C | * | . | trans | -78 | 67.6 | -179.9 | 33.7 | -36.6 | 0 | 0 | 0 | 111.2 | ||||
| 161 | I | 97.6 | Very high | 94.2 | Very high | 18 Ų | 18 | 45.4 Ų | 45.4 | 9% | 0.092 | 24% | 0.244 | C | C | . | . | trans | -90.1 | 115.3 | 174.2 | -58.8 | 175.4 | 0 | 0 | 0 | 107.9 | G155 Y156 L159 Y166 L183 L252 | G155-I161 WeakPolarHBondContact O-CD1 3.35Å; Y156-I161 HydrophobicContact CD1-CB 4.29Å; Y156-I161 HydrophobicContact CD1-CG2 4.03Å; Y156-I161 HydrophobicContact CD2-CD1 3.99Å; Y156-I161 HydrophobicContact CE1-CB 4.41Å; Y156-I161 HydrophobicContact CE1-CG2 3.64Å; Y156-I161 HydrophobicContact CE2-CD1 4.2Å; Y156-I161 HydrophobicContact CE2-CG2 4.24Å; Y156-I161 HydrophobicContact CG-CD1 4.38Å; Y156-I161 HydrophobicContact CG-CG2 4.49Å; L159-I161 HydrophobicContact CB-CG1 4.24Å; L159-I161 PolarHBondContact O-N 2.9Å; I161-Y166 HydrophobicContact CG1-CD2 4.26Å; I161-L183 HydrophobicContact CD1-CD1 3.89Å; I161-L183 HydrophobicContact CG2-CD1 4.41Å; I161-L252 HydrophobicContact CD1-CD1 4.29Å | ||
| 162 | E | 94.3 | Very high | 92.4 | Very high | 136 Ų | 136 | 47.1 Ų | 47.1 | 64% | 0.636 | 26% | 0.262 | S | S | * | . | B | Isolated β-bridge | trans | -117.3 | 129.1 | -179.1 | -66.7 | 178.3 | -177.8 | 0 | 0 | 109.4 | D164 V165 | E162-D164 PolarHBondContact O-N 3.5Å; E162-V165 PolarHBondContact N-O 2.99Å; E162-V165 WeakPolarHBondContact O-CB 3.44Å; E162-V165 PolarHBondContact O-N 2.82Å |
| 163 | N | 93.9 | Very high | 90.2 | Very high | 145 Ų | 145 | 54.2 Ų | 54.2 | 78% | 0.775 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.1 | 44.8 | -178.1 | -58.1 | -49.3 | 0 | 0 | 0 | 112.6 | V165 | N163-V165 PolarHBondContact O-N 3.28Å; N163-V165 VanDerWaalsContact O-N 3.07Å |
| 164 | D | 97.1 | Very high | 88.2 | Confident | 38 Ų | 38 | 57.8 Ų | 57.8 | 20% | 0.203 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 11.4 | -178.1 | -41.7 | -48.9 | 0 | 0 | 0 | 115 | Y42 Y156 E162 L182 L183 | Y42-D164 WeakPolarHBondContact CE2-OD2 3.33Å; Y42-D164 PolarHBondContact OH-OD1 3.03Å; Y156-D164 WeakPolarHBondContact OH-CA 3.49Å; Y156-D164 WeakPolarHBondContact OH-CB 3.48Å; Y156-D164 PolarHBondContact OH-OD1 3.4Å; E162-D164 PolarHBondContact O-N 3.5Å; D164-L182 HydrophobicContact CB-CD1 3.96Å; D164-L183 PolarHBondContact O-N 3.18Å |
| 165 | V | 97.9 | Very high | 86.5 | Confident | 37 Ų | 37 | 63.4 Ų | 63.4 | 22% | 0.224 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 111.9 | 178.3 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | E162 N163 K167 E180 V181 L182 | E162-V165 PolarHBondContact N-O 2.99Å; E162-V165 WeakPolarHBondContact O-CB 3.44Å; E162-V165 PolarHBondContact O-N 2.82Å; N163-V165 PolarHBondContact O-N 3.28Å; N163-V165 VanDerWaalsContact O-N 3.07Å; V165-K167 HydrophobicContact CG1-CG 4.3Å; V165-E180 HydrophobicContact CG1-CB 3.89Å; V165-V181 WeakPolarHBondContact CA-O 3.25Å; V165-L182 HydrophobicContact CG2-CD1 4.13Å |
| 166 | Y | 97.7 | Very high | 85.2 | Confident | 4 Ų | 4 | 66.5 Ų | 66.5 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 132.4 | 171.1 | 171.1 | -124.8 | 0 | 0 | 0 | 110.7 | L159 I161 Y168 V181 T248 Q251 L252 D255 | L159-Y166 HydrophobicContact CD1-CE2 4.28Å; I161-Y166 HydrophobicContact CG1-CD2 4.26Å; Y166-Y168 AromaticContact CD1-CD1 3.71Å; Y166-Y168 HydrophobicContact CD1-CD1 3.71Å; Y166-Y168 HydrophobicContact CD1-CE1 4.2Å; Y166-Y168 AromaticContact CE1-CD1 3.31Å; Y166-Y168 HydrophobicContact CE1-CD1 3.31Å; Y166-Y168 AromaticContact CE1-CE1 3.94Å; Y166-Y168 HydrophobicContact CE1-CE1 3.94Å; Y166-Y168 AromaticContact CE1-CG 3.94Å; Y166-Y168 HydrophobicContact CE1-CG 3.94Å; Y166-Y168 AromaticContact CZ-CD1 3.95Å; Y166-V181 PolarHBondContact N-O 3.07Å; Y166-V181 PolarHBondContact O-N 3.17Å; Y166-T248 HydrophobicContact CD1-CG2 4Å; Y166-T248 HydrophobicContact CE1-CG2 4.3Å; Y166-Q251 WeakPolarHBondContact OH-CG 3.38Å; Y166-L252 HydrophobicContact CD1-CB 4.35Å; Y166-L252 HydrophobicContact CD1-CD1 4.08Å; Y166-L252 HydrophobicContact CD2-CD1 3.92Å; Y166-L252 HydrophobicContact CE1-CB 3.82Å; Y166-L252 HydrophobicContact CE1-CD1 3.97Å; Y166-L252 HydrophobicContact CE1-CG 4.45Å; Y166-L252 HydrophobicContact CE2-CD1 3.84Å; Y166-L252 HydrophobicContact CG-CD1 4.05Å; Y166-D255 PolarHBondContact OH-OD2 3.44Å |
| 167 | K | 95.9 | Very high | 84.4 | Confident | 104 Ų | 104 | 73.6 Ų | 73.6 | 45% | 0.452 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129 | 180 | -50.2 | -167.7 | -172.4 | -163.3 | 0 | 110.5 | V165 V178 K179 E180 | V165-K167 HydrophobicContact CG1-CG 4.3Å; K167-V178 HydrophobicContact CB-CG1 4.35Å; K167-K179 WeakPolarHBondContact CA-O 3.34Å; K167-E180 HydrophobicContact CD-CG 4.05Å; K167-E180 WeakPolarHBondContact CD-OE1 3.49Å; K167-E180 WeakPolarHBondContact CE-OE1 3.49Å; K167-E180 HydrophobicContact CG-CG 4.03Å; K167-E180 IonicContact NZ-OE1 2.68Å; K167-E180 PolarHBondContact NZ-OE1 3.33Å |
| 168 | Y | 92.1 | Very high | 84 | Confident | 9 Ų | 9 | 77.1 Ų | 77.1 | 4% | 0.035 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154.1 | 175.2 | 67 | -84.3 | 0 | 0 | 0 | 112.4 | Y166 K179 V181 T248 Q251 | Y166-Y168 AromaticContact CD1-CD1 3.71Å; Y166-Y168 HydrophobicContact CD1-CD1 3.71Å; Y166-Y168 HydrophobicContact CD1-CE1 4.2Å; Y166-Y168 AromaticContact CE1-CD1 3.31Å; Y166-Y168 HydrophobicContact CE1-CD1 3.31Å; Y166-Y168 AromaticContact CE1-CE1 3.94Å; Y166-Y168 HydrophobicContact CE1-CE1 3.94Å; Y166-Y168 AromaticContact CE1-CG 3.94Å; Y166-Y168 HydrophobicContact CE1-CG 3.94Å; Y166-Y168 AromaticContact CZ-CD1 3.95Å; Y168-K179 HydrophobicContact CE1-CB 4.38Å; Y168-K179 HydrophobicContact CE1-CD 4.17Å; Y168-K179 HydrophobicContact CE1-CG 4.39Å; Y168-K179 HydrophobicContact CE2-CD 4.34Å; Y168-K179 PolarHBondContact N-O 3.45Å; Y168-K179 PolarHBondContact O-N 2.75Å; Y168-K179 WeakPolarHBondContact OH-CD 3.39Å; Y168-K179 PolarHBondContact OH-NZ 2.83Å; Y168-V181 HydrophobicContact CE1-CG2 3.8Å; Y168-T248 HydrophobicContact CE1-CG2 3.93Å; Y168-T248 WeakPolarHBondContact OH-CA 3.43Å; Y168-T248 PolarHBondContact OH-N 3.04Å; Y168-T248 PolarHBondContact OH-OG1 2.78Å; Y168-Q251 HydrophobicContact CD2-CB 4.11Å; Y168-Q251 HydrophobicContact CD2-CG 3.66Å; Y168-Q251 HydrophobicContact CE2-CB 4.26Å; Y168-Q251 HydrophobicContact CE2-CG 4.3Å; Y168-Q251 HydrophobicContact CG-CB 4.42Å; Y168-Q251 HydrophobicContact CG-CG 3.87Å |
| 169 | E | 86.5 | Confident | 83.6 | Confident | 137 Ų | 137 | 78.2 Ų | 78.2 | 64% | 0.64 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.1 | 173.4 | -71.1 | -169.6 | -161.8 | 0 | 0 | 110.8 | S176 V178 | E169-S176 PolarHBondContact OE2-OG 3.33Å; E169-V178 HydrophobicContact CG-CG2 4.31Å |
| 170 | T | 75.5 | Confident | 83.5 | Confident | 35 Ų | 35 | 83.4 Ų | 83.4 | 22% | 0.215 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 133.9 | 172.5 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | G172 R177 K179 | T170-G172 PolarHBondContact O-N 2.93Å; T170-R177 PolarHBondContact N-O 2.88Å; T170-R177 PolarHBondContact O-N 3.46Å; T170-R177 VanDerWaalsContact O-N 3.12Å; T170-K179 HydrophobicContact CG2-CB 4.16Å; T170-K179 HydrophobicContact CG2-CD 4.37Å |
| 171 | S | 67 | Low | 83.4 | Confident | 98 Ų | 98 | 79.7 Ų | 79.7 | 69% | 0.685 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 87.5 | 172.7 | -49.4 | 0 | 0 | 0 | 0 | 110 | ||
| 172 | G | 60.5 | Low | 83.4 | Confident | 36 Ų | 36 | 83.5 Ų | 83.5 | 37% | 0.371 | 46% | 0.457 | S | S | . | . | trans | -74.8 | -175.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112 | T170 G174 | T170-G172 PolarHBondContact O-N 2.93Å; G172-G174 VanDerWaalsContact C-N 3.3Å; G172-G174 PolarHBondContact O-N 3.49Å | ||
| 173 | M | 52.8 | Low | 83.5 | Confident | 152 Ų | 152 | 77.3 Ų | 77.3 | 75% | 0.749 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -54.6 | 84.1 | 176.8 | -74.7 | 173.3 | 119.3 | 0 | 0 | 112.9 | K234 | M173-K234 HydrophobicContact CE-CD 4.39Å; M173-K234 HydrophobicContact CG-CD 4.43Å |
| 174 | G | 56.1 | Low | 83.5 | Confident | 82 Ų | 82 | 74 Ų | 74 | 85% | 0.845 | 41% | 0.408 | S | S | * | . | S | Bend | trans | 98.1 | -15.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 117.3 | G172 | G172-G174 VanDerWaalsContact C-N 3.3Å; G172-G174 PolarHBondContact O-N 3.49Å |
| 175 | D | 62.8 | Low | 83.4 | Confident | 119 Ų | 119 | 74.5 Ų | 74.5 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -137.2 | 141.4 | -179.6 | -119.8 | -14.2 | 0 | 0 | 0 | 111.4 | R177 | D175-R177 PolarHBondContact O-N 3.06Š|
| 176 | S | 71.8 | Confident | 83.2 | Confident | 67 Ų | 67 | 78.9 Ų | 78.9 | 47% | 0.469 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 124.7 | 169 | -168.5 | 0 | 0 | 0 | 0 | 108 | E169 | E169-S176 PolarHBondContact OE2-OG 3.33Å |
| 177 | R | 82.1 | Confident | 83.1 | Confident | 164 Ų | 164 | 79.3 Ų | 79.3 | 62% | 0.619 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 130.7 | 176.8 | -65.1 | -176.1 | -176 | -178.2 | -0.2 | 108.9 | T170 D175 K179 | T170-R177 PolarHBondContact N-O 2.88Å; T170-R177 PolarHBondContact O-N 3.46Å; T170-R177 VanDerWaalsContact O-N 3.12Å; D175-R177 PolarHBondContact O-N 3.06Å; R177-K179 PolarHBondContact O-N 3.48Å |
| 178 | V | 88.9 | Confident | 83 | Confident | 95 Ų | 95 | 80.5 Ų | 80.5 | 58% | 0.576 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 125.4 | 166.1 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | K167 E169 | K167-V178 HydrophobicContact CB-CG1 4.35Å; E169-V178 HydrophobicContact CG-CG2 4.31Å |
| 179 | K | 90.5 | Very high | 83.2 | Confident | 50 Ų | 50 | 80.5 Ų | 80.5 | 22% | 0.217 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 128.3 | 176.5 | -174.7 | 175.8 | 167.3 | -164.2 | 0 | 108.5 | K167 Y168 T170 R177 V181 S244 | K167-K179 WeakPolarHBondContact CA-O 3.34Å; Y168-K179 HydrophobicContact CE1-CB 4.38Å; Y168-K179 HydrophobicContact CE1-CD 4.17Å; Y168-K179 HydrophobicContact CE1-CG 4.39Å; Y168-K179 HydrophobicContact CE2-CD 4.34Å; Y168-K179 PolarHBondContact N-O 3.45Å; Y168-K179 PolarHBondContact O-N 2.75Å; Y168-K179 WeakPolarHBondContact OH-CD 3.39Å; Y168-K179 PolarHBondContact OH-NZ 2.83Å; T170-K179 HydrophobicContact CG2-CB 4.16Å; T170-K179 HydrophobicContact CG2-CD 4.37Å; R177-K179 PolarHBondContact O-N 3.48Å; K179-V181 HydrophobicContact CD-CG2 4.16Å; K179-V181 HydrophobicContact CG-CG2 3.88Å; K179-S244 WeakPolarHBondContact CE-OG 3.39Å; K179-S244 PolarHBondContact NZ-O 2.83Å; K179-S244 PolarHBondContact NZ-OG 3.01Å |
| 180 | E | 95 | Very high | 83.7 | Confident | 122 Ų | 122 | 74.2 Ų | 74.2 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.1 | 174 | -55.5 | -170.2 | 150.4 | 0 | 0 | 108.3 | V165 K167 | V165-E180 HydrophobicContact CG1-CB 3.89Å; K167-E180 HydrophobicContact CD-CG 4.05Å; K167-E180 WeakPolarHBondContact CD-OE1 3.49Å; K167-E180 WeakPolarHBondContact CE-OE1 3.49Å; K167-E180 HydrophobicContact CG-CG 4.03Å; K167-E180 IonicContact NZ-OE1 2.68Å; K167-E180 PolarHBondContact NZ-OE1 3.33Å |
| 181 | V | 95.5 | Very high | 84.7 | Confident | 26 Ų | 26 | 74.8 Ų | 74.8 | 16% | 0.158 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 125.6 | -178.2 | -172.7 | 0 | 0 | 0 | 0 | 109.4 | V165 Y166 Y168 K179 T248 | V165-V181 WeakPolarHBondContact CA-O 3.25Å; Y166-V181 PolarHBondContact N-O 3.07Å; Y166-V181 PolarHBondContact O-N 3.17Å; Y168-V181 HydrophobicContact CE1-CG2 3.8Å; K179-V181 HydrophobicContact CD-CG2 4.16Å; K179-V181 HydrophobicContact CG-CG2 3.88Å; V181-T248 HydrophobicContact CB-CG2 4.08Å; V181-T248 HydrophobicContact CG1-CG2 3.95Å; V181-T248 HydrophobicContact CG2-CG2 4.16Å |
| 182 | L | 96.9 | Very high | 86.1 | Confident | 98 Ų | 98 | 72.4 Ų | 72.4 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 124.4 | 172.2 | -173.5 | 71 | 0 | 0 | 0 | 109.9 | D164 V165 H184 | D164-L182 HydrophobicContact CB-CD1 3.96Å; V165-L182 HydrophobicContact CG2-CD1 4.13Å; L182-H184 HydrophobicContact CD2-CB 3.98Å; L182-H184 HydrophobicContact CG-CB 4.04Å; L182-H184 PolarHBondContact O-N 3.29Å |
| 183 | L | 96.8 | Very high | 87.9 | Confident | 6 Ų | 6 | 70.7 Ų | 70.7 | 3% | 0.031 | 39% | 0.385 | C | S | . | . | trans | -87.5 | 94.8 | 174 | -59 | 178.7 | 0 | 0 | 0 | 108.9 | Y156 I161 D164 W190 L252 | Y156-L183 HydrophobicContact CE2-CD1 4.02Å; I161-L183 HydrophobicContact CD1-CD1 3.89Å; I161-L183 HydrophobicContact CG2-CD1 4.41Å; D164-L183 PolarHBondContact O-N 3.18Å; L183-W190 HydrophobicContact CB-CD2 4.28Å; L183-W190 HydrophobicContact CB-CH2 4.46Å; L183-W190 HydrophobicContact CB-CZ2 4.09Å; L183-W190 HydrophobicContact CD1-CH2 3.85Å; L183-W190 HydrophobicContact CD1-CZ2 4.24Å; L183-W190 HydrophobicContact CD1-CZ3 4.09Å; L183-W190 HydrophobicContact CD2-CD2 4.47Å; L183-W190 HydrophobicContact CD2-CE3 4.19Å; L183-W190 HydrophobicContact CD2-CZ3 4.34Å; L183-L252 HydrophobicContact CD1-CD2 4.2Å; L183-L252 HydrophobicContact CD2-CD2 4.22Å | ||
| 184 | H | 94.3 | Very high | 90.1 | Very high | 74 Ų | 74 | 63.7 Ų | 63.7 | 34% | 0.343 | 35% | 0.35 | S | S | . | . | trans | -134.1 | 165.6 | -170.1 | -170.6 | -109.6 | 0 | 0 | 0 | 112.5 | L182 D186 D187 | L182-H184 HydrophobicContact CD2-CB 3.98Å; L182-H184 HydrophobicContact CG-CB 4.04Å; L182-H184 PolarHBondContact O-N 3.29Å; H184-D186 IonicContact CE1-OD2 3.74Å; H184-D186 PolarHBondContact CE1-OD2 3.12Å; H184-D186 PolarHBondContact ND1-N 2.9Å; H184-D186 IonicContact ND1-OD2 2.69Å; H184-D186 PolarHBondContact ND1-OD2 2.76Å; H184-D186 PolarHBondContact O-N 3.14Å; H184-D187 PolarHBondContact O-N 3.18Å | ||
| 185 | E | 95 | Very high | 92.1 | Very high | 49 Ų | 49 | 61.6 Ų | 61.6 | 23% | 0.229 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -18.1 | 176.4 | -72 | -84.4 | -175.7 | 0 | 0 | 113.4 | E43 S44 D187 V191 R194 | E43-E185 WeakPolarHBondContact CA-OE1 3.18Å; E43-E185 VanDerWaalsContact CB-OE1 3.27Å; E43-E185 WeakPolarHBondContact CB-OE1 3.2Å; S44-E185 PolarHBondContact N-OE1 3.17Å; S44-E185 PolarHBondContact OG-OE1 3.46Å; E185-D187 PolarHBondContact O-N 2.95Å; E185-V191 VanDerWaalsContact OE2-CG2 3.24Å; E185-V191 WeakPolarHBondContact OE2-CG2 3.39Å; E185-R194 IonicContact OE1-CZ 2.66Å; E185-R194 IonicContact OE1-NH1 3.57Å; E185-R194 PolarHBondContact OE1-NH1 3.38Å; E185-R194 IonicContact OE1-NH2 3.34Å; E185-R194 PolarHBondContact OE1-NH2 3.24Å; E185-R194 IonicContact OE2-NH1 3.86Å; E185-R194 IonicContact OE2-NH2 2.76Å |
| 186 | D | 93.8 | Very high | 93.7 | Very high | 130 Ų | 130 | 59 Ų | 59 | 70% | 0.695 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -6.8 | 172.4 | -63.9 | -46 | 0 | 0 | 0 | 113.4 | H184 K245 | H184-D186 IonicContact CE1-OD2 3.74Å; H184-D186 PolarHBondContact CE1-OD2 3.12Å; H184-D186 PolarHBondContact ND1-N 2.9Å; H184-D186 IonicContact ND1-OD2 2.69Å; H184-D186 PolarHBondContact ND1-OD2 2.76Å; H184-D186 PolarHBondContact O-N 3.14Å; D186-K245 PolarHBondContact O-NZ 3.06Å; D186-K245 VanDerWaalsContact O-NZ 3.1Å |
| 187 | D | 95.1 | Very high | 95 | Very high | 13 Ų | 13 | 57 Ų | 57 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | trans | -101.3 | 91.4 | 171.2 | -165.3 | 4.2 | 0 | 0 | 0 | 112.6 | H184 E185 L189 W190 V191 K245 H249 | H184-D187 PolarHBondContact O-N 3.18Å; E185-D187 PolarHBondContact O-N 2.95Å; D187-L189 PolarHBondContact O-N 3.13Å; D187-L189 PolarHBondContact OD1-N 3.25Å; D187-W190 HydrophobicContact CB-CB 3.84Å; D187-W190 WeakPolarHBondContact O-CA 3.47Å; D187-W190 VanDerWaalsContact O-CB 3.25Å; D187-W190 WeakPolarHBondContact O-CB 3.4Å; D187-W190 PolarHBondContact O-N 2.98Å; D187-V191 PolarHBondContact O-N 2.56Å; D187-K245 WeakPolarHBondContact OD1-CD 3.48Å; D187-K245 VanDerWaalsContact OD1-CE 3.29Å; D187-K245 WeakPolarHBondContact OD1-CE 3.02Å; D187-K245 IonicContact OD1-NZ 3.51Å; D187-K245 PolarHBondContact OD1-NZ 3.1Å; D187-H249 IonicContact OD2-CD2 3.42Å; D187-H249 IonicContact OD2-CE1 3.32Å; D187-H249 IonicContact OD2-NE2 3.7Å; D187-H249 PolarHBondContact OD2-NE2 2.96Å | ||
| 188 | D | 94.4 | Very high | 95.7 | Very high | 128 Ų | 128 | 49.6 Ų | 49.6 | 68% | 0.684 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -48.5 | -34.2 | 175.3 | -57.4 | -39.9 | 0 | 0 | 0 | 113.5 | S192 | D188-S192 WeakPolarHBondContact O-CB 3.42Å; D188-S192 PolarHBondContact O-N 2.86Å; D188-S192 PolarHBondContact O-OG 3.16Å |
| 189 | L | 94.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 47.6 Ų | 47.6 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 177.6 | -172.9 | 55.6 | 0 | 0 | 0 | 110.3 | D187 S192 L193 Y246 H249 | D187-L189 PolarHBondContact O-N 3.13Å; D187-L189 PolarHBondContact OD1-N 3.25Å; L189-S192 PolarHBondContact O-N 2.93Å; L189-S192 PolarHBondContact O-OG 3.03Å; L189-L193 HydrophobicContact CD1-CD1 3.59Å; L189-L193 HydrophobicContact CD1-CG 4.06Å; L189-L193 HydrophobicContact CG-CD1 3.65Å; L189-L193 HydrophobicContact CG-CG 4.47Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 WeakPolarHBondContact O-CD1 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.14Å; L189-L193 VanDerWaalsContact O-N 3.08Å; L189-Y246 HydrophobicContact CD1-CE1 4.37Å; L189-Y246 HydrophobicContact CD2-CD1 3.56Å; L189-Y246 HydrophobicContact CD2-CE1 3.81Å; L189-Y246 HydrophobicContact CD2-CG 4.05Å; L189-H249 HydrophobicContact CD2-CB 4.34Å; L189-H249 VanDerWaalsContact CD2-CD2 3.43Å; L189-H249 WeakPolarHBondContact CD2-CD2 3.37Å |
| 190 | W | 97.5 | Very high | 96.2 | Very high | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.019 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.8 | -50.5 | 173 | 175.1 | -114.9 | 0 | 0 | 0 | 111.7 | F151 Q152 Y156 L183 D187 S192 L193 R194 H249 L252 | F151-W190 HydrophobicContact CD1-CE3 4.28Å; F151-W190 AromaticContact CD1-CZ3 3.97Å; F151-W190 HydrophobicContact CD1-CZ3 3.97Å; F151-W190 HydrophobicContact CE1-CE3 4.17Å; F151-W190 HydrophobicContact CE1-CZ3 4.02Å; Q152-W190 HydrophobicContact CB-CH2 3.69Å; Q152-W190 HydrophobicContact CB-CZ2 3.82Å; Q152-W190 HydrophobicContact CG-CH2 3.97Å; Q152-W190 HydrophobicContact CG-CZ2 3.72Å; Y156-W190 HydrophobicContact CE2-CH2 4.06Å; Y156-W190 HydrophobicContact CE2-CZ2 4.05Å; L183-W190 HydrophobicContact CB-CD2 4.28Å; L183-W190 HydrophobicContact CB-CH2 4.46Å; L183-W190 HydrophobicContact CB-CZ2 4.09Å; L183-W190 HydrophobicContact CD1-CH2 3.85Å; L183-W190 HydrophobicContact CD1-CZ2 4.24Å; L183-W190 HydrophobicContact CD1-CZ3 4.09Å; L183-W190 HydrophobicContact CD2-CD2 4.47Å; L183-W190 HydrophobicContact CD2-CE3 4.19Å; L183-W190 HydrophobicContact CD2-CZ3 4.34Å; D187-W190 HydrophobicContact CB-CB 3.84Å; D187-W190 WeakPolarHBondContact O-CA 3.47Å; D187-W190 VanDerWaalsContact O-CB 3.25Å; D187-W190 WeakPolarHBondContact O-CB 3.4Å; D187-W190 PolarHBondContact O-N 2.98Å; W190-S192 VanDerWaalsContact C-N 3.25Å; W190-S192 PolarHBondContact O-N 3.21Å; W190-L193 PolarHBondContact O-N 2.95Å; W190-R194 HydrophobicContact CD2-CB 4.18Å; W190-R194 HydrophobicContact CE3-CB 4.47Å; W190-R194 HydrophobicContact CH2-CB 4.46Å; W190-R194 HydrophobicContact CZ2-CB 4.13Å; W190-R194 WeakPolarHBondContact O-CB 3.22Å; W190-R194 PolarHBondContact O-N 2.85Å; W190-H249 AromaticContact CE3-CE1 3.76Å; W190-L252 HydrophobicContact CZ3-CD2 3.87Å |
| 191 | V | 97.6 | Very high | 96.2 | Very high | 48 Ų | 48 | 43.1 Ų | 43.1 | 29% | 0.291 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.8 | -39.4 | 179.8 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | E185 D187 | E185-V191 VanDerWaalsContact OE2-CG2 3.24Å; E185-V191 WeakPolarHBondContact OE2-CG2 3.39Å; D187-V191 PolarHBondContact O-N 2.56Å |
| 192 | S | 96.6 | Very high | 95.9 | Very high | 47 Ų | 47 | 44.1 Ų | 44.1 | 33% | 0.329 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -73.7 | -22.6 | 178.2 | 78.7 | 0 | 0 | 0 | 0 | 114.6 | D188 L189 W190 K196 | D188-S192 WeakPolarHBondContact O-CB 3.42Å; D188-S192 PolarHBondContact O-N 2.86Å; D188-S192 PolarHBondContact O-OG 3.16Å; L189-S192 PolarHBondContact O-N 2.93Å; L189-S192 PolarHBondContact O-OG 3.03Å; W190-S192 VanDerWaalsContact C-N 3.25Å; W190-S192 PolarHBondContact O-N 3.21Å; S192-K196 WeakPolarHBondContact O-CE 3.31Å |
| 193 | L | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -105.6 | -29.1 | -172.9 | -66 | 171.9 | 0 | 0 | 0 | 113.9 | F151 L189 W190 H195 K196 V201 E204 V205 H249 | F151-L193 WeakPolarHBondContact CB-O 3.49Å; F151-L193 HydrophobicContact CD1-CB 3.7Å; F151-L193 HydrophobicContact CE1-CB 4.03Å; F151-L193 HydrophobicContact CE1-CD1 4.21Å; L189-L193 HydrophobicContact CD1-CD1 3.59Å; L189-L193 HydrophobicContact CD1-CG 4.06Å; L189-L193 HydrophobicContact CG-CD1 3.65Å; L189-L193 HydrophobicContact CG-CG 4.47Å; L189-L193 WeakPolarHBondContact O-CB 3.38Å; L189-L193 WeakPolarHBondContact O-CD1 3.34Å; L189-L193 WeakPolarHBondContact O-CG 3.33Å; L189-L193 PolarHBondContact O-N 3.14Å; L189-L193 VanDerWaalsContact O-N 3.08Å; W190-L193 PolarHBondContact O-N 2.95Å; L193-H195 PolarHBondContact O-N 3.34Å; L193-K196 HydrophobicContact CD2-CD 4.08Å; L193-K196 WeakPolarHBondContact O-CB 3.3Å; L193-K196 PolarHBondContact O-N 2.56Å; L193-V201 HydrophobicContact CD2-CG1 4.4Å; L193-E204 HydrophobicContact CD2-CB 4.06Å; L193-E204 HydrophobicContact CD2-CG 3.71Å; L193-V205 HydrophobicContact CD1-CG2 3.41Å; L193-V205 VanDerWaalsContact CD1-CG2 3.41Å; L193-V205 HydrophobicContact CD2-CG2 4.1Å; L193-V205 HydrophobicContact CG-CG2 4.42Å; L193-H249 HydrophobicContact CD1-CB 4.05Å |
| 194 | R | 98.3 | Very high | 95.4 | Very high | 5 Ų | 5 | 47.8 Ų | 47.8 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -32.3 | -166.8 | 60.7 | 169.1 | -175.7 | -146.3 | -10.6 | 114.6 | E43 F151 Q152 E185 W190 Y456 | E43-R194 VanDerWaalsContact CD-CZ 3.48Å; E43-R194 IonicContact OE1-CZ 3.64Å; E43-R194 IonicContact OE1-NE 3.54Å; E43-R194 IonicContact OE1-NH1 2.84Å; E43-R194 PolarHBondContact OE1-NH1 3.37Å; E43-R194 IonicContact OE2-CZ 3.73Å; E43-R194 IonicContact OE2-NE 3.79Å; E43-R194 IonicContact OE2-NH1 3.81Å; E43-R194 PolarHBondContact OE2-NH1 2.97Å; E43-R194 IonicContact OE2-NH2 2.76Å; F151-R194 PolarHBondContact N-O 2.99Å; Q152-R194 HydrophobicContact CB-CB 3.84Å; Q152-R194 VanDerWaalsContact CB-O 3.3Å; Q152-R194 WeakPolarHBondContact CB-O 3.14Å; Q152-R194 PolarHBondContact N-O 3.12Å; E185-R194 IonicContact OE1-CZ 2.66Å; E185-R194 IonicContact OE1-NH1 3.57Å; E185-R194 PolarHBondContact OE1-NH1 3.38Å; E185-R194 IonicContact OE1-NH2 3.34Å; E185-R194 PolarHBondContact OE1-NH2 3.24Å; E185-R194 IonicContact OE2-NH1 3.86Å; E185-R194 IonicContact OE2-NH2 2.76Å; W190-R194 HydrophobicContact CD2-CB 4.18Å; W190-R194 HydrophobicContact CE3-CB 4.47Å; W190-R194 HydrophobicContact CH2-CB 4.46Å; W190-R194 HydrophobicContact CZ2-CB 4.13Å; W190-R194 WeakPolarHBondContact O-CB 3.22Å; W190-R194 PolarHBondContact O-N 2.85Å; R194-Y456 VanDerWaalsContact NH2-CE1 3.3Å; R194-Y456 PolarHBondContact NH2-OH 2.77Å |
| 195 | H | 98.2 | Very high | 95.3 | Very high | 39 Ų | 39 | 44.3 Ų | 44.3 | 18% | 0.181 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102 | -1.1 | -178.8 | -60.1 | -29.8 | 0 | 0 | 0 | 114.2 | Q152 L193 R453 Y456 | Q152-H195 PolarHBondContact OE1-CE1 2.76Å; L193-H195 PolarHBondContact O-N 3.34Å; H195-R453 HydrophobicContact CB-CG 3.9Å; H195-Y456 AromaticContact CD2-CD2 3.76Å; H195-Y456 AromaticContact CD2-CG 3.82Å; H195-Y456 AromaticContact CE1-CD2 3.88Å; H195-Y456 AromaticContact CE1-CE2 3.99Å; H195-Y456 AromaticContact NE2-CD2 3.07Å; H195-Y456 WeakPolarHBondContact NE2-CD2 3.1Å; H195-Y456 AromaticContact NE2-CE2 3.31Å; H195-Y456 VanDerWaalsContact NE2-CE2 3.31Å; H195-Y456 WeakPolarHBondContact NE2-CE2 3.32Å; H195-Y456 AromaticContact NE2-CG 3.56Å; H195-Y456 AromaticContact NE2-CZ 3.99Å |
| 196 | K | 97.8 | Very high | 94.9 | Very high | 64 Ų | 64 | 44 Ų | 44 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -75.7 | 150 | 176 | -71.5 | 179.4 | 171.9 | -81.9 | 0 | 110.8 | T150 F151 S192 L193 V201 E204 | T150-K196 CarbonylContact C-O 3.45Å; T150-K196 VanDerWaalsContact CA-O 3.29Å; T150-K196 WeakPolarHBondContact CA-O 3.31Å; F151-K196 PolarHBondContact N-O 3.02Å; S192-K196 WeakPolarHBondContact O-CE 3.31Å; L193-K196 HydrophobicContact CD2-CD 4.08Å; L193-K196 WeakPolarHBondContact O-CB 3.3Å; L193-K196 PolarHBondContact O-N 2.56Å; K196-V201 HydrophobicContact CB-CG2 4.13Å; K196-E204 HydrophobicContact CD-CG 4.14Å |
| 197 | H | 97.8 | Very high | 94.7 | Very high | 24 Ų | 24 | 43 Ų | 43 | 11% | 0.111 | 23% | 0.226 | C | C | . | . | B | Isolated β-bridge | trans | -68.1 | 139.5 | 173.1 | -172.2 | -91.6 | 0 | 0 | 0 | 110.6 | A199 E200 V201 Y375 S378 | H197-A199 VanDerWaalsContact ND1-CB 3.3Å; H197-A199 WeakPolarHBondContact ND1-CB 3.44Å; H197-A199 PolarHBondContact ND1-N 3.4Å; H197-A199 PolarHBondContact O-N 3.42Å; H197-A199 VanDerWaalsContact O-N 3.08Å; H197-E200 PolarHBondContact O-N 3.14Å; H197-V201 PolarHBondContact O-N 3.01Å; H197-Y375 HydrophobicContact CB-CD2 4.14Å; H197-Y375 HydrophobicContact CB-CE2 3.77Å; H197-Y375 AromaticContact CD2-CD2 3.68Å; H197-Y375 AromaticContact CE1-CD1 3.86Å; H197-Y375 AromaticContact CE1-CD2 3.92Å; H197-Y375 AromaticContact CE1-CG 3.76Å; H197-Y375 AromaticContact CG-CD2 3.6Å; H197-Y375 AromaticContact CG-CE2 3.57Å; H197-Y375 AromaticContact ND1-CD2 3.75Å; H197-Y375 AromaticContact ND1-CE1 3.99Å; H197-Y375 AromaticContact ND1-CE2 3.6Å; H197-Y375 AromaticContact ND1-CZ 3.73Å; H197-Y375 AromaticContact NE2-CD2 3.89Å; H197-Y375 AromaticContact NE2-CG 3.79Å; H197-S378 PolarHBondContact NE2-OG 2.86Å |
| 198 | I | 96.9 | Very high | 94.5 | Very high | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.046 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -55.8 | -32.3 | -173.9 | -171.5 | 62.9 | 0 | 0 | 0 | 113.2 | L149 F151 M154 E200 V201 A253 C256 M257 | L149-I198 HydrophobicContact CB-CG2 4.25Å; L149-I198 PolarHBondContact O-N 3.35Å; F151-I198 HydrophobicContact CD2-CD1 3.97Å; F151-I198 HydrophobicContact CE2-CD1 4.35Å; M154-I198 HydrophobicContact CE-CG1 4.37Å; M154-I198 HydrophobicContact CE-CG2 4.43Å; M154-I198 HydrophobicContact SD-CB 3.66Å; M154-I198 HydrophobicContact SD-CD1 4.22Å; M154-I198 HydrophobicContact SD-CG1 3.69Å; M154-I198 HydrophobicContact SD-CG2 3.76Å; I198-E200 PolarHBondContact O-N 2.84Å; I198-V201 HydrophobicContact CD1-CB 4.41Å; I198-V201 PolarHBondContact O-N 3.12Å; I198-A253 HydrophobicContact CD1-CB 4.21Å; I198-C256 HydrophobicContact CD1-CB 3.94Å; I198-C256 HydrophobicContact CG1-CB 4.47Å; I198-M257 HydrophobicContact CG1-CG 4.15Å; I198-M257 HydrophobicContact CG1-SD 3.68Å; I198-M257 HydrophobicContact CG2-SD 4.28Å |
| 199 | A | 94.4 | Very high | 94.1 | Very high | 54 Ų | 54 | 38.1 Ų | 38.1 | 45% | 0.446 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -60.5 | -25 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | H197 Y375 | H197-A199 VanDerWaalsContact ND1-CB 3.3Å; H197-A199 WeakPolarHBondContact ND1-CB 3.44Å; H197-A199 PolarHBondContact ND1-N 3.4Å; H197-A199 PolarHBondContact O-N 3.42Å; H197-A199 VanDerWaalsContact O-N 3.08Å; A199-Y375 HydrophobicContact CB-CE1 4.06Å |
| 200 | E | 95 | Very high | 93.7 | Very high | 78 Ų | 78 | 42.7 Ų | 42.7 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -97.3 | -25.9 | -180 | -59.9 | 178.5 | -157.7 | 0 | 0 | 112.6 | H197 I198 S202 Q203 E204 Y375 | H197-E200 PolarHBondContact O-N 3.14Å; I198-E200 PolarHBondContact O-N 2.84Å; E200-S202 PolarHBondContact O-N 3.36Å; E200-Q203 PolarHBondContact O-N 3.32Å; E200-E204 WeakPolarHBondContact O-CB 3.44Å; E200-E204 PolarHBondContact O-N 3.22Å; E200-Y375 WeakPolarHBondContact CG-OH 3.36Å; E200-Y375 PolarHBondContact OE1-OH 3.47Å |
| 201 | V | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.6 | -51.9 | -169.9 | 172.6 | 0 | 0 | 0 | 0 | 112 | F151 L193 K196 H197 I198 Q203 E204 V205 A253 | F151-V201 HydrophobicContact CB-CG2 3.8Å; F151-V201 HydrophobicContact CD1-CG1 4.04Å; F151-V201 HydrophobicContact CD1-CG2 4.3Å; F151-V201 HydrophobicContact CD2-CG1 4.02Å; F151-V201 HydrophobicContact CD2-CG2 4.16Å; F151-V201 HydrophobicContact CE1-CG1 3.92Å; F151-V201 HydrophobicContact CE2-CG1 3.91Å; F151-V201 HydrophobicContact CG-CG1 4.08Å; F151-V201 HydrophobicContact CG-CG2 3.85Å; F151-V201 HydrophobicContact CZ-CG1 3.84Å; L193-V201 HydrophobicContact CD2-CG1 4.4Å; K196-V201 HydrophobicContact CB-CG2 4.13Å; H197-V201 PolarHBondContact O-N 3.01Å; I198-V201 HydrophobicContact CD1-CB 4.41Å; I198-V201 PolarHBondContact O-N 3.12Å; V201-Q203 VanDerWaalsContact C-N 3.28Å; V201-Q203 PolarHBondContact O-N 3.06Å; V201-E204 PolarHBondContact O-N 3.18Å; V201-E204 VanDerWaalsContact O-N 3.15Å; V201-V205 HydrophobicContact CG1-CG2 4.08Å; V201-V205 VanDerWaalsContact O-CG2 3.22Å; V201-V205 WeakPolarHBondContact O-CG2 3.09Å; V201-V205 PolarHBondContact O-N 2.78Å; V201-A253 HydrophobicContact CG1-CB 4Å |
| 202 | S | 89.4 | Confident | 92.7 | Very high | 47 Ų | 47 | 46.1 Ų | 46.1 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -36.7 | -177.2 | -53.8 | 0 | 0 | 0 | 0 | 112.6 | E200 T206 | E200-S202 PolarHBondContact O-N 3.36Å; S202-T206 WeakPolarHBondContact O-CB 3.5Å; S202-T206 PolarHBondContact O-N 3.32Å; S202-T206 VanDerWaalsContact O-N 3.17Å; S202-T206 PolarHBondContact O-OG1 2.63Å |
| 203 | Q | 90.3 | Very high | 92 | Very high | 148 Ų | 148 | 43.9 Ų | 43.9 | 69% | 0.692 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -67.8 | -43.9 | 176.4 | -63 | -174.9 | 2.7 | 0 | 0 | 110.5 | E200 V201 T206 R207 | E200-Q203 PolarHBondContact O-N 3.32Å; V201-Q203 VanDerWaalsContact C-N 3.28Å; V201-Q203 PolarHBondContact O-N 3.06Å; Q203-T206 PolarHBondContact O-N 3.02Å; Q203-R207 WeakPolarHBondContact O-CB 3.47Å; Q203-R207 PolarHBondContact O-N 3.09Å |
| 204 | E | 93.6 | Very high | 91.3 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.4 | -43.6 | -179.3 | -176.6 | 56.7 | -160.7 | 0 | 0 | 112.4 | L193 K196 E200 V201 T206 R207 Q208 | L193-E204 HydrophobicContact CD2-CB 4.06Å; L193-E204 HydrophobicContact CD2-CG 3.71Å; K196-E204 HydrophobicContact CD-CG 4.14Å; E200-E204 WeakPolarHBondContact O-CB 3.44Å; E200-E204 PolarHBondContact O-N 3.22Å; V201-E204 PolarHBondContact O-N 3.18Å; V201-E204 VanDerWaalsContact O-N 3.15Å; E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 PolarHBondContact O-N 2.73Å; E204-R207 WeakPolarHBondContact O-CB 3.33Å; E204-R207 PolarHBondContact O-N 2.95Å; E204-R207 IonicContact OE1-CZ 3.63Å; E204-R207 IonicContact OE1-NE 2.87Å; E204-R207 IonicContact OE1-NH2 3.5Å; E204-R207 PolarHBondContact OE1-NH2 3.06Å; E204-R207 IonicContact OE2-CZ 3.78Å; E204-R207 IonicContact OE2-NE 3.48Å; E204-R207 PolarHBondContact OE2-NE 3.39Å; E204-R207 IonicContact OE2-NH2 3.76Å; E204-Q208 WeakPolarHBondContact O-CG 3.42Å; E204-Q208 PolarHBondContact O-N 2.97Å; E204-Q208 PolarHBondContact OE1-NE2 2.98Å |
| 205 | V | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.9 | -44.2 | 174.5 | 178.8 | 0 | 0 | 0 | 0 | 110.6 | L193 V201 Q208 L209 Y246 H249 L250 | L193-V205 HydrophobicContact CD1-CG2 3.41Å; L193-V205 VanDerWaalsContact CD1-CG2 3.41Å; L193-V205 HydrophobicContact CD2-CG2 4.1Å; L193-V205 HydrophobicContact CG-CG2 4.42Å; V201-V205 HydrophobicContact CG1-CG2 4.08Å; V201-V205 VanDerWaalsContact O-CG2 3.22Å; V201-V205 WeakPolarHBondContact O-CG2 3.09Å; V201-V205 PolarHBondContact O-N 2.78Å; V205-Q208 PolarHBondContact O-N 2.95Å; V205-L209 WeakPolarHBondContact O-CB 3.24Å; V205-L209 PolarHBondContact O-N 3.41Å; V205-Y246 HydrophobicContact CG1-CD1 4.05Å; V205-H249 HydrophobicContact CG1-CB 4.44Å; V205-H249 HydrophobicContact CG2-CB 4.05Å; V205-L250 HydrophobicContact CB-CD2 4Å; V205-L250 HydrophobicContact CB-CG 4.5Å; V205-L250 HydrophobicContact CG1-CD2 3.66Å; V205-L250 HydrophobicContact CG1-CG 3.63Å |
| 206 | T | 87.6 | Confident | 90 | Very high | 44 Ų | 44 | 53.3 Ų | 53.3 | 27% | 0.27 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 178.9 | -56 | 0 | 0 | 0 | 0 | 111.6 | S202 Q203 E204 L209 K210 | S202-T206 WeakPolarHBondContact O-CB 3.5Å; S202-T206 PolarHBondContact O-N 3.32Å; S202-T206 VanDerWaalsContact O-N 3.17Å; S202-T206 PolarHBondContact O-OG1 2.63Å; Q203-T206 PolarHBondContact O-N 3.02Å; E204-T206 VanDerWaalsContact C-N 3.31Å; E204-T206 PolarHBondContact O-N 2.73Å; T206-L209 PolarHBondContact O-N 3.26Å; T206-K210 WeakPolarHBondContact O-CB 3.35Å; T206-K210 PolarHBondContact O-N 3.07Å |
| 207 | R | 90.1 | Very high | 88.7 | Confident | 109 Ų | 109 | 61.6 Ų | 61.6 | 41% | 0.411 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61 | -52.4 | 175.4 | -172.9 | -170.7 | 71.6 | 77.2 | 2.1 | 110.9 | Q203 E204 L209 K210 E211 | Q203-R207 WeakPolarHBondContact O-CB 3.47Å; Q203-R207 PolarHBondContact O-N 3.09Å; E204-R207 WeakPolarHBondContact O-CB 3.33Å; E204-R207 PolarHBondContact O-N 2.95Å; E204-R207 IonicContact OE1-CZ 3.63Å; E204-R207 IonicContact OE1-NE 2.87Å; E204-R207 IonicContact OE1-NH2 3.5Å; E204-R207 PolarHBondContact OE1-NH2 3.06Å; E204-R207 IonicContact OE2-CZ 3.78Å; E204-R207 IonicContact OE2-NE 3.48Å; E204-R207 PolarHBondContact OE2-NE 3.39Å; E204-R207 IonicContact OE2-NH2 3.76Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-L209 PolarHBondContact O-N 3.12Å; R207-K210 WeakPolarHBondContact O-CB 3.28Å; R207-K210 PolarHBondContact O-N 3.33Å; R207-K210 VanDerWaalsContact O-N 3.16Å; R207-E211 IonicContact CZ-OE1 3.03Å; R207-E211 IonicContact CZ-OE2 3.88Å; R207-E211 IonicContact NH1-OE1 2.62Å; R207-E211 PolarHBondContact NH1-OE1 3.05Å; R207-E211 IonicContact NH1-OE2 2.93Å; R207-E211 PolarHBondContact NH1-OE2 2.86Å; R207-E211 PolarHBondContact O-N 3.46Å |
| 208 | Q | 90.4 | Very high | 87.2 | Confident | 37 Ų | 37 | 62.2 Ų | 62.2 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 179.2 | -69.3 | -171.2 | 33.5 | 0 | 0 | 111.9 | E204 V205 K210 E211 F212 Y246 | E204-Q208 WeakPolarHBondContact O-CG 3.42Å; E204-Q208 PolarHBondContact O-N 2.97Å; E204-Q208 PolarHBondContact OE1-NE2 2.98Å; V205-Q208 PolarHBondContact O-N 2.95Å; Q208-K210 PolarHBondContact O-N 3.34Å; Q208-E211 PolarHBondContact O-N 2.84Å; Q208-F212 WeakPolarHBondContact O-CB 3.1Å; Q208-F212 PolarHBondContact O-N 3.5Å; Q208-Y246 HydrophobicContact CB-CE1 3.79Å; Q208-Y246 PolarHBondContact O-OH 3.22Å |
| 209 | L | 87 | Confident | 85.6 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -39.9 | 174.5 | 178 | 61.6 | 0 | 0 | 0 | 112.5 | V205 T206 R207 F212 S213 T224 L229 L243 Y246 | V205-L209 WeakPolarHBondContact O-CB 3.24Å; V205-L209 PolarHBondContact O-N 3.41Å; T206-L209 PolarHBondContact O-N 3.26Å; R207-L209 VanDerWaalsContact C-N 3.31Å; R207-L209 PolarHBondContact O-N 3.12Å; L209-F212 PolarHBondContact O-N 2.99Å; L209-S213 WeakPolarHBondContact O-CB 3.41Å; L209-S213 PolarHBondContact O-N 3.47Å; L209-S213 PolarHBondContact O-OG 3.4Å; L209-T224 HydrophobicContact CD2-CG2 3.58Å; L209-T224 HydrophobicContact CG-CG2 4.43Å; L209-L229 HydrophobicContact CD1-CD1 3.69Å; L209-L229 HydrophobicContact CD2-CD1 3.44Å; L209-L229 VanDerWaalsContact CD2-CD1 3.44Å; L209-L229 HydrophobicContact CG-CD1 4.22Å; L209-L243 HydrophobicContact CD1-CD2 3.91Å; L209-Y246 HydrophobicContact CB-CD1 3.73Å; L209-Y246 HydrophobicContact CB-CE1 3.92Å; L209-Y246 HydrophobicContact CB-CG 4.2Å; L209-Y246 HydrophobicContact CD1-CD1 4.23Å; L209-Y246 HydrophobicContact CD1-CD2 3.86Å; L209-Y246 HydrophobicContact CD1-CE2 4.32Å; L209-Y246 HydrophobicContact CD1-CG 3.82Å; L209-Y246 HydrophobicContact CG-CD1 4.5Å |
| 210 | K | 85.3 | Confident | 84 | Confident | 105 Ų | 105 | 68.8 Ų | 68.8 | 46% | 0.457 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.6 | -42.7 | 176.5 | -172 | 176.9 | -177.1 | 177.4 | 0 | 111.2 | T206 R207 Q208 S213 S214 | T206-K210 WeakPolarHBondContact O-CB 3.35Å; T206-K210 PolarHBondContact O-N 3.07Å; R207-K210 WeakPolarHBondContact O-CB 3.28Å; R207-K210 PolarHBondContact O-N 3.33Å; R207-K210 VanDerWaalsContact O-N 3.16Å; Q208-K210 PolarHBondContact O-N 3.34Å; K210-S213 PolarHBondContact O-N 2.87Å; K210-S214 WeakPolarHBondContact O-CB 3.36Å; K210-S214 PolarHBondContact O-N 3.07Å; K210-S214 PolarHBondContact O-OG 3.5Å |
| 211 | E | 87.6 | Confident | 82.3 | Confident | 96 Ų | 96 | 67.6 Ų | 67.6 | 45% | 0.449 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 174.8 | -74.7 | 174.3 | -175.5 | 0 | 0 | 111.2 | R207 Q208 S213 S214 S215 | R207-E211 IonicContact CZ-OE1 3.03Å; R207-E211 IonicContact CZ-OE2 3.88Å; R207-E211 IonicContact NH1-OE1 2.62Å; R207-E211 PolarHBondContact NH1-OE1 3.05Å; R207-E211 IonicContact NH1-OE2 2.93Å; R207-E211 PolarHBondContact NH1-OE2 2.86Å; R207-E211 PolarHBondContact O-N 3.46Å; Q208-E211 PolarHBondContact O-N 2.84Å; E211-S213 PolarHBondContact O-N 3.16Å; E211-S214 PolarHBondContact O-N 3.28Å; E211-S214 PolarHBondContact O-OG 2.96Å; E211-S215 WeakPolarHBondContact O-CB 3.3Å; E211-S215 PolarHBondContact O-N 3.42Å |
| 212 | F | 86.1 | Confident | 80.4 | Confident | 28 Ų | 28 | 76.6 Ų | 76.6 | 12% | 0.123 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -55.4 | -50.9 | 173.7 | 178.6 | -96.9 | 0 | 0 | 0 | 111.5 | Q208 L209 S214 S215 K216 Y239 E242 L243 Y246 | Q208-F212 WeakPolarHBondContact O-CB 3.1Å; Q208-F212 PolarHBondContact O-N 3.5Å; L209-F212 PolarHBondContact O-N 2.99Å; F212-S214 PolarHBondContact O-N 3.36Å; F212-S215 PolarHBondContact O-N 2.95Å; F212-S215 PolarHBondContact O-OG 3.38Å; F212-K216 HydrophobicContact CE1-CG 4.43Å; F212-K216 HydrophobicContact CE2-CG 4.49Å; F212-K216 HydrophobicContact CZ-CG 4.29Å; F212-K216 WeakPolarHBondContact O-CG 3.46Å; F212-K216 PolarHBondContact O-N 3.37Å; F212-Y239 HydrophobicContact CZ-CD1 4.1Å; F212-Y239 HydrophobicContact CZ-CG 4.03Å; F212-E242 HydrophobicContact CE2-CB 4.04Å; F212-E242 HydrophobicContact CE2-CG 4.21Å; F212-E242 HydrophobicContact CZ-CB 3.86Å; F212-E242 HydrophobicContact CZ-CG 4.34Å; F212-L243 HydrophobicContact CD1-CD2 4.33Å; F212-L243 HydrophobicContact CE1-CD2 4.06Å; F212-L243 HydrophobicContact CE1-CG 4.37Å; F212-Y246 HydrophobicContact CB-CE2 4.26Å; F212-Y246 HydrophobicContact CD1-CE2 4.47Å; F212-Y246 HydrophobicContact CG-CE2 4.19Å |
| 213 | S | 83 | Confident | 78.9 | Confident | 0 Ų | 0 | 83 Ų | 83 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | -179.9 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | L209 K210 E211 S215 K216 R217 M218 T220 M232 | L209-S213 WeakPolarHBondContact O-CB 3.41Å; L209-S213 PolarHBondContact O-N 3.47Å; L209-S213 PolarHBondContact O-OG 3.4Å; K210-S213 PolarHBondContact O-N 2.87Å; E211-S213 PolarHBondContact O-N 3.16Å; S213-S215 PolarHBondContact O-N 3.44Å; S213-K216 CarbonylContact O-C 3.58Å; S213-K216 PolarHBondContact O-N 3.47Å; S213-R217 PolarHBondContact O-N 2.82Å; S213-M218 VanDerWaalsContact O-CB 3.32Å; S213-M218 WeakPolarHBondContact O-CB 3.44Å; S213-M218 PolarHBondContact O-N 3.29Å; S213-T220 WeakPolarHBondContact OG-CG2 3.24Å; S213-M232 WeakPolarHBondContact OG-CE 3.22Å |
| 214 | S | 82.8 | Confident | 77.7 | Confident | 75 Ų | 75 | 76.8 Ų | 76.8 | 52% | 0.524 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 178.2 | 72.8 | 0 | 0 | 0 | 0 | 112.3 | K210 E211 F212 K216 R217 | K210-S214 WeakPolarHBondContact O-CB 3.36Å; K210-S214 PolarHBondContact O-N 3.07Å; K210-S214 PolarHBondContact O-OG 3.5Å; E211-S214 PolarHBondContact O-N 3.28Å; E211-S214 PolarHBondContact O-OG 2.96Å; F212-S214 PolarHBondContact O-N 3.36Å; S214-K216 PolarHBondContact O-N 3.45Å; S214-R217 PolarHBondContact O-N 3.03Å |
| 215 | S | 85.8 | Confident | 76.4 | Confident | 76 Ų | 76 | 78.5 Ų | 78.5 | 53% | 0.531 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.6 | -27.6 | 177.8 | 81.1 | 0 | 0 | 0 | 0 | 112.7 | E211 F212 S213 | E211-S215 WeakPolarHBondContact O-CB 3.3Å; E211-S215 PolarHBondContact O-N 3.42Å; F212-S215 PolarHBondContact O-N 2.95Å; F212-S215 PolarHBondContact O-OG 3.38Å; S213-S215 PolarHBondContact O-N 3.44Å |
| 216 | K | 82.4 | Confident | 75.3 | Confident | 91 Ų | 91 | 80.9 Ų | 80.9 | 40% | 0.396 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 14.5 | 177 | -53.9 | -49.4 | 179.8 | -173.6 | 0 | 113 | F212 S213 S214 M218 Y239 | F212-K216 HydrophobicContact CE1-CG 4.43Å; F212-K216 HydrophobicContact CE2-CG 4.49Å; F212-K216 HydrophobicContact CZ-CG 4.29Å; F212-K216 WeakPolarHBondContact O-CG 3.46Å; F212-K216 PolarHBondContact O-N 3.37Å; S213-K216 CarbonylContact O-C 3.58Å; S213-K216 PolarHBondContact O-N 3.47Å; S214-K216 PolarHBondContact O-N 3.45Å; K216-M218 VanDerWaalsContact C-N 3.32Å; K216-M218 HydrophobicContact CB-CG 4.42Å; K216-M218 PolarHBondContact O-N 3.24Å; K216-Y239 HydrophobicContact CB-CE2 4.27Å; K216-Y239 HydrophobicContact CD-CE1 4.33Å; K216-Y239 HydrophobicContact CD-CE2 4.35Å; K216-Y239 HydrophobicContact CG-CE2 4.09Å |
| 217 | R | 71.8 | Confident | 74.5 | Confident | 238 Ų | 238 | 88.6 Ų | 88.6 | 90% | 0.898 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.8 | 41.1 | -179.4 | -58.4 | -178.4 | 178.6 | -175.4 | -1.1 | 113.3 | S213 S214 | S213-R217 PolarHBondContact O-N 2.82Å; S214-R217 PolarHBondContact O-N 3.03Å |
| 218 | M | 66.4 | Low | 73.6 | Confident | 37 Ų | 37 | 86 Ų | 86 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | trans | -105.2 | 138.7 | 172.8 | -57.9 | -179.7 | 70.6 | 0 | 0 | 111.4 | S213 K216 T220 M232 M236 | S213-M218 VanDerWaalsContact O-CB 3.32Å; S213-M218 WeakPolarHBondContact O-CB 3.44Å; S213-M218 PolarHBondContact O-N 3.29Å; K216-M218 VanDerWaalsContact C-N 3.32Å; K216-M218 HydrophobicContact CB-CG 4.42Å; K216-M218 PolarHBondContact O-N 3.24Å; M218-T220 PolarHBondContact O-N 3.23Å; M218-M232 HydrophobicContact CE-CB 4.46Å; M218-M232 HydrophobicContact CE-CE 3.51Å; M218-M232 HydrophobicContact CE-CG 3.88Å; M218-M232 HydrophobicContact CE-SD 4.36Å; M218-M232 HydrophobicContact SD-CE 3.73Å; M218-M236 HydrophobicContact CE-CE 3.06Å; M218-M236 HydrophobicContact CE-SD 3.78Å; M218-M236 HydrophobicContact CG-SD 4.18Å; M218-M236 HydrophobicContact SD-CE 3.11Å; M218-M236 WeakPolarHBondContact SD-CE 3.44Å; M218-M236 HydrophobicContact SD-SD 3.34Å | ||
| 219 | N | 62.7 | Low | 72.8 | Confident | 171 Ų | 171 | 84.3 Ų | 84.3 | 91% | 0.914 | 42% | 0.416 | S | S | * | . | trans | -88.4 | 105.6 | 166.7 | -71.7 | -7.7 | 0 | 0 | 0 | 108.6 | ||||
| 220 | T | 61.6 | Low | 72.2 | Confident | 31 Ų | 31 | 86.2 Ų | 86.2 | 19% | 0.19 | 43% | 0.429 | C | S | . | . | trans | -88.8 | 141.1 | 158.4 | 47.8 | 0 | 0 | 0 | 0 | 108.4 | S213 M218 M232 | S213-T220 WeakPolarHBondContact OG-CG2 3.24Å; M218-T220 PolarHBondContact O-N 3.23Å; T220-M232 HydrophobicContact CG2-CE 3.98Å; T220-M232 HydrophobicContact CG2-SD 3.84Å | ||
| 221 | G | 59 | Low | 71.7 | Confident | 53 Ų | 53 | 86.2 Ų | 86.2 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | trans | -62.9 | 172 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K223 | G221-K223 PolarHBondContact O-N 3.11Š| ||
| 222 | E | 54.8 | Low | 71.1 | Confident | 188 Ų | 188 | 82.2 Ų | 82.2 | 88% | 0.879 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -57.1 | -32.6 | -179.1 | -98.4 | -178.4 | 161.2 | 0 | 0 | 114.2 | ||
| 223 | K | 58.8 | Low | 70.7 | Confident | 182 Ų | 182 | 83 Ų | 83 | 79% | 0.791 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -115 | 121.4 | 172.6 | -67.7 | -174.5 | 178.4 | -176.7 | 0 | 108.6 | G221 | G221-K223 PolarHBondContact O-N 3.11Š|
| 224 | T | 63.2 | Low | 70.4 | Confident | 18 Ų | 18 | 89.1 Ų | 89.1 | 11% | 0.11 | 44% | 0.444 | C | S | . | . | trans | -99.5 | 119 | 173.8 | -50.2 | 0 | 0 | 0 | 0 | 108.4 | L209 D228 | L209-T224 HydrophobicContact CD2-CG2 3.58Å; L209-T224 HydrophobicContact CG-CG2 4.43Å; T224-D228 HydrophobicContact CG2-CB 3.99Å | ||
| 225 | T | 67.9 | Low | 70.3 | Confident | 68 Ų | 68 | 93 Ų | 93 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | trans | -103 | 166.5 | -179.2 | 65.6 | 0 | 0 | 0 | 0 | 111.4 | R227 D228 L229 | T225-R227 PolarHBondContact O-N 3.13Å; T225-R227 VanDerWaalsContact O-N 3.15Å; T225-R227 PolarHBondContact OG1-N 3.34Å; T225-D228 WeakPolarHBondContact CB-OD2 3.49Å; T225-D228 PolarHBondContact N-OD2 3.46Å; T225-D228 WeakPolarHBondContact O-CB 3.48Å; T225-D228 PolarHBondContact O-N 2.97Å; T225-D228 VanDerWaalsContact OG1-CG 3.3Å; T225-D228 PolarHBondContact OG1-N 3.42Å; T225-D228 PolarHBondContact OG1-OD2 3.36Å; T225-L229 PolarHBondContact O-N 2.94Å | ||
| 226 | M | 67.5 | Low | 69.8 | Low | 51 Ų | 51 | 90.3 Ų | 90.3 | 25% | 0.251 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -55.4 | -29.5 | 171.5 | -70.6 | -64.1 | -81.8 | 0 | 0 | 113 | S230 L250 Q251 | M226-S230 PolarHBondContact O-N 3.45Å; M226-S230 VanDerWaalsContact O-N 3.07Å; M226-S230 PolarHBondContact O-OG 3.08Å; M226-L250 HydrophobicContact SD-CB 3.72Å; M226-L250 HydrophobicContact SD-CD1 3.88Å; M226-L250 HydrophobicContact SD-CG 4.46Å; M226-Q251 HydrophobicContact CE-CB 4.29Å |
| 227 | R | 69.8 | Low | 69.7 | Low | 206 Ų | 206 | 90.1 Ų | 90.1 | 78% | 0.777 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.9 | -40.1 | 174.1 | -69.2 | -177 | -179.2 | 171.3 | 1.3 | 111.9 | T225 L229 S230 Q231 | T225-R227 PolarHBondContact O-N 3.13Å; T225-R227 VanDerWaalsContact O-N 3.15Å; T225-R227 PolarHBondContact OG1-N 3.34Å; R227-L229 VanDerWaalsContact C-N 3.33Å; R227-S230 PolarHBondContact O-N 2.91Å; R227-Q231 WeakPolarHBondContact O-CG 3.3Å; R227-Q231 PolarHBondContact O-N 3.33Å; R227-Q231 VanDerWaalsContact O-N 3.1Å |
| 228 | D | 71.8 | Confident | 70.3 | Confident | 55 Ų | 55 | 84.6 Ų | 84.6 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 177.1 | -57.8 | -48 | 0 | 0 | 0 | 110.4 | T224 T225 S230 Q231 M232 | T224-D228 HydrophobicContact CG2-CB 3.99Å; T225-D228 WeakPolarHBondContact CB-OD2 3.49Å; T225-D228 PolarHBondContact N-OD2 3.46Å; T225-D228 WeakPolarHBondContact O-CB 3.48Å; T225-D228 PolarHBondContact O-N 2.97Å; T225-D228 VanDerWaalsContact OG1-CG 3.3Å; T225-D228 PolarHBondContact OG1-N 3.42Å; T225-D228 PolarHBondContact OG1-OD2 3.36Å; D228-S230 PolarHBondContact O-N 3.32Å; D228-Q231 WeakPolarHBondContact O-CB 3.45Å; D228-Q231 PolarHBondContact O-N 2.94Å; D228-Q231 VanDerWaalsContact O-N 3.13Å; D228-M232 VanDerWaalsContact O-CG 3.27Å; D228-M232 WeakPolarHBondContact O-CG 3.46Å; D228-M232 PolarHBondContact O-N 2.92Å |
| 229 | L | 74.2 | Confident | 71.2 | Confident | 0 Ų | 0 | 85.7 Ų | 85.7 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.5 | -156.2 | 92.3 | 0 | 0 | 0 | 112.2 | L209 T225 R227 Q231 M232 L233 L243 | L209-L229 HydrophobicContact CD1-CD1 3.69Å; L209-L229 HydrophobicContact CD2-CD1 3.44Å; L209-L229 VanDerWaalsContact CD2-CD1 3.44Å; L209-L229 HydrophobicContact CG-CD1 4.22Å; T225-L229 PolarHBondContact O-N 2.94Å; R227-L229 VanDerWaalsContact C-N 3.33Å; L229-Q231 VanDerWaalsContact C-N 3.27Å; L229-Q231 PolarHBondContact O-N 3.41Å; L229-M232 PolarHBondContact O-N 3.38Å; L229-M232 VanDerWaalsContact O-N 3.16Å; L229-L233 HydrophobicContact CD2-CD1 4.5Å; L229-L233 PolarHBondContact O-N 3.05Å; L229-L243 HydrophobicContact CD1-CD2 4.25Å |
| 230 | S | 73.6 | Confident | 72.3 | Confident | 41 Ų | 41 | 83 Ų | 83 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.6 | -35.5 | 173.9 | -71.9 | 0 | 0 | 0 | 0 | 112.8 | M226 R227 D228 K234 | M226-S230 PolarHBondContact O-N 3.45Å; M226-S230 VanDerWaalsContact O-N 3.07Å; M226-S230 PolarHBondContact O-OG 3.08Å; R227-S230 PolarHBondContact O-N 2.91Å; D228-S230 PolarHBondContact O-N 3.32Å; S230-K234 PolarHBondContact O-N 3.47Å |
| 231 | Q | 75.2 | Confident | 73.5 | Confident | 106 Ų | 106 | 89.2 Ų | 89.2 | 50% | 0.495 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -73 | -39.2 | 174.1 | -70 | -176.6 | 15.2 | 0 | 0 | 112.2 | R227 D228 L229 L233 K234 K235 | R227-Q231 WeakPolarHBondContact O-CG 3.3Å; R227-Q231 PolarHBondContact O-N 3.33Å; R227-Q231 VanDerWaalsContact O-N 3.1Å; D228-Q231 WeakPolarHBondContact O-CB 3.45Å; D228-Q231 PolarHBondContact O-N 2.94Å; D228-Q231 VanDerWaalsContact O-N 3.13Å; L229-Q231 VanDerWaalsContact C-N 3.27Å; L229-Q231 PolarHBondContact O-N 3.41Å; Q231-L233 VanDerWaalsContact C-N 3.34Å; Q231-K234 PolarHBondContact O-N 3.28Å; Q231-K235 WeakPolarHBondContact O-CG 3.3Å; Q231-K235 PolarHBondContact O-N 3.35Å; Q231-K235 VanDerWaalsContact O-N 3.08Å |
| 232 | M | 74.8 | Confident | 74.8 | Confident | 12 Ų | 12 | 90.3 Ų | 90.3 | 6% | 0.059 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.9 | -69.3 | 172.6 | 70.7 | 0 | 0 | 111.6 | S213 M218 T220 D228 L229 K234 K235 M236 L243 | S213-M232 WeakPolarHBondContact OG-CE 3.22Å; M218-M232 HydrophobicContact CE-CB 4.46Å; M218-M232 HydrophobicContact CE-CE 3.51Å; M218-M232 HydrophobicContact CE-CG 3.88Å; M218-M232 HydrophobicContact CE-SD 4.36Å; M218-M232 HydrophobicContact SD-CE 3.73Å; T220-M232 HydrophobicContact CG2-CE 3.98Å; T220-M232 HydrophobicContact CG2-SD 3.84Å; D228-M232 VanDerWaalsContact O-CG 3.27Å; D228-M232 WeakPolarHBondContact O-CG 3.46Å; D228-M232 PolarHBondContact O-N 2.92Å; L229-M232 PolarHBondContact O-N 3.38Å; L229-M232 VanDerWaalsContact O-N 3.16Å; M232-K234 VanDerWaalsContact C-N 3.26Å; M232-K234 PolarHBondContact O-N 3.45Å; M232-K235 PolarHBondContact O-N 3.4Å; M232-K235 VanDerWaalsContact O-N 3.11Å; M232-M236 HydrophobicContact CB-CE 4.13Å; M232-M236 HydrophobicContact CE-CE 4.41Å; M232-M236 PolarHBondContact O-N 3.13Å; M232-L243 HydrophobicContact CB-CD1 3.89Å; M232-L243 HydrophobicContact CE-CD2 3.92Å |
| 233 | L | 77.2 | Confident | 76.3 | Confident | 43 Ų | 43 | 81.4 Ų | 81.4 | 23% | 0.225 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -55.8 | -39 | 173.6 | -84.6 | 155.5 | 0 | 0 | 0 | 112.3 | L229 Q231 Q240 L243 | L229-L233 HydrophobicContact CD2-CD1 4.5Å; L229-L233 PolarHBondContact O-N 3.05Å; Q231-L233 VanDerWaalsContact C-N 3.34Å; L233-Q240 HydrophobicContact CD2-CB 4.27Å; L233-Q240 HydrophobicContact CD2-CG 3.71Å; L233-L243 HydrophobicContact CD2-CB 3.93Å; L233-L243 HydrophobicContact CG-CB 3.99Å; L233-L243 HydrophobicContact CG-CD1 4.39Å |
| 234 | K | 78.3 | Confident | 77.7 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -73.1 | -35.4 | 176.2 | -68.3 | 177.9 | -174.8 | -177.2 | 0 | 113 | M173 S230 Q231 M232 | M173-K234 HydrophobicContact CE-CD 4.39Å; M173-K234 HydrophobicContact CG-CD 4.43Å; S230-K234 PolarHBondContact O-N 3.47Å; Q231-K234 PolarHBondContact O-N 3.28Å; M232-K234 VanDerWaalsContact C-N 3.26Å; M232-K234 PolarHBondContact O-N 3.45Å |
| 235 | K | 79.9 | Confident | 79 | Confident | 157 Ų | 157 | 75.8 Ų | 75.8 | 68% | 0.683 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -78.6 | -24.1 | -176.3 | -73.1 | -178.5 | -178.3 | 177.2 | 0 | 113.3 | Q231 M232 | Q231-K235 WeakPolarHBondContact O-CG 3.3Å; Q231-K235 PolarHBondContact O-N 3.35Å; Q231-K235 VanDerWaalsContact O-N 3.08Å; M232-K235 PolarHBondContact O-N 3.4Å; M232-K235 VanDerWaalsContact O-N 3.11Å |
| 236 | M | 74.1 | Confident | 80.1 | Confident | 19 Ų | 19 | 73.9 Ų | 73.9 | 9% | 0.094 | 35% | 0.345 | C | S | . | . | trans | -139.6 | 83.8 | -179 | -55.8 | 165.2 | -69.4 | 0 | 0 | 112 | M218 M232 Q238 Y239 L243 | M218-M236 HydrophobicContact CE-CE 3.06Å; M218-M236 HydrophobicContact CE-SD 3.78Å; M218-M236 HydrophobicContact CG-SD 4.18Å; M218-M236 HydrophobicContact SD-CE 3.11Å; M218-M236 WeakPolarHBondContact SD-CE 3.44Å; M218-M236 HydrophobicContact SD-SD 3.34Å; M232-M236 HydrophobicContact CB-CE 4.13Å; M232-M236 HydrophobicContact CE-CE 4.41Å; M232-M236 PolarHBondContact O-N 3.13Å; M236-Q238 VanDerWaalsContact CA-OE1 3.27Å; M236-Q238 PolarHBondContact O-N 3.26Å; M236-Q238 VanDerWaalsContact O-N 3.15Å; M236-Y239 HydrophobicContact CB-CD2 3.99Å; M236-Y239 HydrophobicContact CG-CD2 4.38Å; M236-Y239 PolarHBondContact O-N 3.03Å; M236-Y239 VanDerWaalsContact O-N 3.15Å; M236-Y239 HydrophobicContact SD-CD2 3.73Å; M236-Y239 HydrophobicContact SD-CE2 4.18Å; M236-L243 HydrophobicContact CE-CD1 4.08Å | ||
| 237 | P | 80.9 | Confident | 81.1 | Confident | 87 Ų | 87 | 71.7 Ų | 71.7 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -59.5 | -26.1 | 175 | 24.7 | -33.7 | 0 | 0 | 0 | 112.4 | Y239 Q240 | P237-Y239 PolarHBondContact O-N 2.87Å; P237-Q240 VanDerWaalsContact O-CB 3.22Å; P237-Q240 WeakPolarHBondContact O-CB 3.47Å; P237-Q240 PolarHBondContact O-N 3.15Å |
| 238 | Q | 85.3 | Confident | 82.2 | Confident | 122 Ų | 122 | 62 Ų | 62 | 57% | 0.57 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -66.1 | -20.2 | 178.5 | 71.4 | -84.6 | 21.7 | 0 | 0 | 114.6 | M236 | M236-Q238 VanDerWaalsContact CA-OE1 3.27Å; M236-Q238 PolarHBondContact O-N 3.26Å; M236-Q238 VanDerWaalsContact O-N 3.15Å |
| 239 | Y | 85.7 | Confident | 83.3 | Confident | 60 Ų | 60 | 59.4 Ų | 59.4 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | -112.9 | 18.6 | 177 | -59.5 | -53.2 | 0 | 0 | 0 | 112.2 | F212 K216 M236 P237 K241 E242 L243 | F212-Y239 HydrophobicContact CZ-CD1 4.1Å; F212-Y239 HydrophobicContact CZ-CG 4.03Å; K216-Y239 HydrophobicContact CB-CE2 4.27Å; K216-Y239 HydrophobicContact CD-CE1 4.33Å; K216-Y239 HydrophobicContact CD-CE2 4.35Å; K216-Y239 HydrophobicContact CG-CE2 4.09Å; M236-Y239 HydrophobicContact CB-CD2 3.99Å; M236-Y239 HydrophobicContact CG-CD2 4.38Å; M236-Y239 PolarHBondContact O-N 3.03Å; M236-Y239 VanDerWaalsContact O-N 3.15Å; M236-Y239 HydrophobicContact SD-CD2 3.73Å; M236-Y239 HydrophobicContact SD-CE2 4.18Å; P237-Y239 PolarHBondContact O-N 2.87Å; Y239-K241 PolarHBondContact O-N 3.15Å; Y239-E242 PolarHBondContact O-N 2.83Å; Y239-L243 WeakPolarHBondContact O-CB 3.48Å; Y239-L243 WeakPolarHBondContact O-CG 3.29Å; Y239-L243 PolarHBondContact O-N 3.26Å |
| 240 | Q | 84.2 | Confident | 84.1 | Confident | 114 Ų | 114 | 60.5 Ų | 60.5 | 53% | 0.533 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.3 | -36.4 | -176.1 | -179.1 | 175.2 | 7.5 | 0 | 0 | 112 | L233 P237 S244 | L233-Q240 HydrophobicContact CD2-CB 4.27Å; L233-Q240 HydrophobicContact CD2-CG 3.71Å; P237-Q240 VanDerWaalsContact O-CB 3.22Å; P237-Q240 WeakPolarHBondContact O-CB 3.47Å; P237-Q240 PolarHBondContact O-N 3.15Å; Q240-S244 WeakPolarHBondContact O-CB 3.21Å; Q240-S244 PolarHBondContact O-N 3Å |
| 241 | K | 86.9 | Confident | 85.1 | Confident | 162 Ų | 162 | 60.2 Ų | 60.2 | 70% | 0.704 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -65 | -47.9 | 179.9 | -172.9 | -179.5 | 178.8 | -176 | 0 | 111.3 | Y239 S244 K245 | Y239-K241 PolarHBondContact O-N 3.15Å; K241-S244 WeakPolarHBondContact O-CB 3.3Å; K241-S244 PolarHBondContact O-N 2.87Å; K241-K245 PolarHBondContact O-N 3.2Å |
| 242 | E | 87 | Confident | 86.1 | Confident | 77 Ų | 77 | 55.2 Ų | 55.2 | 36% | 0.36 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67.5 | -48.4 | -179.9 | -64.2 | 92.3 | 143.2 | 0 | 0 | 111.5 | F212 Y239 S244 K245 Y246 | F212-E242 HydrophobicContact CE2-CB 4.04Å; F212-E242 HydrophobicContact CE2-CG 4.21Å; F212-E242 HydrophobicContact CZ-CB 3.86Å; F212-E242 HydrophobicContact CZ-CG 4.34Å; Y239-E242 PolarHBondContact O-N 2.83Å; E242-S244 PolarHBondContact O-N 3.35Å; E242-K245 WeakPolarHBondContact O-CB 3.43Å; E242-K245 PolarHBondContact O-N 3Å; E242-Y246 VanDerWaalsContact O-CD2 3.24Å; E242-Y246 WeakPolarHBondContact O-CD2 3.33Å; E242-Y246 PolarHBondContact O-N 3.07Å |
| 243 | L | 86 | Confident | 87.1 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -34.5 | 177.2 | -68.7 | 173.7 | 0 | 0 | 0 | 112 | L209 F212 L229 M232 L233 M236 Y239 K245 Y246 S247 | L209-L243 HydrophobicContact CD1-CD2 3.91Å; F212-L243 HydrophobicContact CD1-CD2 4.33Å; F212-L243 HydrophobicContact CE1-CD2 4.06Å; F212-L243 HydrophobicContact CE1-CG 4.37Å; L229-L243 HydrophobicContact CD1-CD2 4.25Å; M232-L243 HydrophobicContact CB-CD1 3.89Å; M232-L243 HydrophobicContact CE-CD2 3.92Å; L233-L243 HydrophobicContact CD2-CB 3.93Å; L233-L243 HydrophobicContact CG-CB 3.99Å; L233-L243 HydrophobicContact CG-CD1 4.39Å; M236-L243 HydrophobicContact CE-CD1 4.08Å; Y239-L243 WeakPolarHBondContact O-CB 3.48Å; Y239-L243 WeakPolarHBondContact O-CG 3.29Å; Y239-L243 PolarHBondContact O-N 3.26Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 3.3Å; L243-Y246 PolarHBondContact O-N 3.33Å; L243-S247 PolarHBondContact O-N 3.21Å |
| 244 | S | 87.6 | Confident | 88 | Confident | 32 Ų | 32 | 57.9 Ų | 57.9 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.8 | -35.4 | 174.5 | 168 | 0 | 0 | 0 | 0 | 112.7 | K179 Q240 K241 E242 S247 T248 | K179-S244 WeakPolarHBondContact CE-OG 3.39Å; K179-S244 PolarHBondContact NZ-O 2.83Å; K179-S244 PolarHBondContact NZ-OG 3.01Å; Q240-S244 WeakPolarHBondContact O-CB 3.21Å; Q240-S244 PolarHBondContact O-N 3Å; K241-S244 WeakPolarHBondContact O-CB 3.3Å; K241-S244 PolarHBondContact O-N 2.87Å; E242-S244 PolarHBondContact O-N 3.35Å; S244-S247 WeakPolarHBondContact O-CB 3.34Å; S244-S247 PolarHBondContact O-N 3.45Å; S244-T248 PolarHBondContact O-N 2.86Å; S244-T248 VanDerWaalsContact O-N 3.16Å; S244-T248 PolarHBondContact O-OG1 3.03Å; S244-T248 VanDerWaalsContact O-OG1 3.1Å |
| 245 | K | 91.2 | Very high | 88.8 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 22% | 0.222 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.1 | -49.5 | 175.6 | -68.5 | 172.4 | 157.9 | -152.9 | 0 | 111.3 | D186 D187 K241 E242 L243 S247 T248 H249 | D186-K245 PolarHBondContact O-NZ 3.06Å; D186-K245 VanDerWaalsContact O-NZ 3.1Å; D187-K245 WeakPolarHBondContact OD1-CD 3.48Å; D187-K245 VanDerWaalsContact OD1-CE 3.29Å; D187-K245 WeakPolarHBondContact OD1-CE 3.02Å; D187-K245 IonicContact OD1-NZ 3.51Å; D187-K245 PolarHBondContact OD1-NZ 3.1Å; K241-K245 PolarHBondContact O-N 3.2Å; E242-K245 WeakPolarHBondContact O-CB 3.43Å; E242-K245 PolarHBondContact O-N 3Å; L243-K245 VanDerWaalsContact C-N 3.28Å; L243-K245 PolarHBondContact O-N 3.3Å; K245-S247 VanDerWaalsContact C-N 3.26Å; K245-S247 PolarHBondContact O-N 2.74Å; K245-T248 WeakPolarHBondContact O-CB 3.24Å; K245-T248 PolarHBondContact O-N 2.9Å; K245-H249 PolarHBondContact O-CD2 3.03Å; K245-H249 PolarHBondContact O-N 2.71Å; K245-H249 VanDerWaalsContact O-N 3.12Å |
| 246 | Y | 91 | Very high | 89.7 | Confident | 28 Ų | 28 | 45.7 Ų | 45.7 | 11% | 0.11 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.1 | -40.9 | 175.4 | -70.7 | -76.4 | 0 | 0 | 0 | 112.4 | L189 V205 Q208 L209 F212 E242 L243 T248 H249 L250 | L189-Y246 HydrophobicContact CD1-CE1 4.37Å; L189-Y246 HydrophobicContact CD2-CD1 3.56Å; L189-Y246 HydrophobicContact CD2-CE1 3.81Å; L189-Y246 HydrophobicContact CD2-CG 4.05Å; V205-Y246 HydrophobicContact CG1-CD1 4.05Å; Q208-Y246 HydrophobicContact CB-CE1 3.79Å; Q208-Y246 PolarHBondContact O-OH 3.22Å; L209-Y246 HydrophobicContact CB-CD1 3.73Å; L209-Y246 HydrophobicContact CB-CE1 3.92Å; L209-Y246 HydrophobicContact CB-CG 4.2Å; L209-Y246 HydrophobicContact CD1-CD1 4.23Å; L209-Y246 HydrophobicContact CD1-CD2 3.86Å; L209-Y246 HydrophobicContact CD1-CE2 4.32Å; L209-Y246 HydrophobicContact CD1-CG 3.82Å; L209-Y246 HydrophobicContact CG-CD1 4.5Å; F212-Y246 HydrophobicContact CB-CE2 4.26Å; F212-Y246 HydrophobicContact CD1-CE2 4.47Å; F212-Y246 HydrophobicContact CG-CE2 4.19Å; E242-Y246 VanDerWaalsContact O-CD2 3.24Å; E242-Y246 WeakPolarHBondContact O-CD2 3.33Å; E242-Y246 PolarHBondContact O-N 3.07Å; L243-Y246 PolarHBondContact O-N 3.33Å; Y246-T248 VanDerWaalsContact C-N 3.34Å; Y246-T248 PolarHBondContact O-N 3.31Å; Y246-H249 PolarHBondContact O-N 3.17Å; Y246-L250 WeakPolarHBondContact O-CG 3.25Å; Y246-L250 PolarHBondContact O-N 2.78Å |
| 247 | S | 88.7 | Confident | 90.7 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 4% | 0.035 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58 | -46.6 | 175.5 | -161.5 | 0 | 0 | 0 | 0 | 112.2 | L243 S244 K245 Q251 | L243-S247 PolarHBondContact O-N 3.21Å; S244-S247 WeakPolarHBondContact O-CB 3.34Å; S244-S247 PolarHBondContact O-N 3.45Å; K245-S247 VanDerWaalsContact C-N 3.26Å; K245-S247 PolarHBondContact O-N 2.74Å; S247-Q251 WeakPolarHBondContact O-CB 3.31Å; S247-Q251 PolarHBondContact O-N 2.94Å |
| 248 | T | 92.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.012 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.5 | -48.5 | -178.7 | -61.9 | 0 | 0 | 0 | 0 | 110.8 | Y166 Y168 V181 S244 K245 Y246 Q251 L252 | Y166-T248 HydrophobicContact CD1-CG2 4Å; Y166-T248 HydrophobicContact CE1-CG2 4.3Å; Y168-T248 HydrophobicContact CE1-CG2 3.93Å; Y168-T248 WeakPolarHBondContact OH-CA 3.43Å; Y168-T248 PolarHBondContact OH-N 3.04Å; Y168-T248 PolarHBondContact OH-OG1 2.78Å; V181-T248 HydrophobicContact CB-CG2 4.08Å; V181-T248 HydrophobicContact CG1-CG2 3.95Å; V181-T248 HydrophobicContact CG2-CG2 4.16Å; S244-T248 PolarHBondContact O-N 2.86Å; S244-T248 VanDerWaalsContact O-N 3.16Å; S244-T248 PolarHBondContact O-OG1 3.03Å; S244-T248 VanDerWaalsContact O-OG1 3.1Å; K245-T248 WeakPolarHBondContact O-CB 3.24Å; K245-T248 PolarHBondContact O-N 2.9Å; Y246-T248 VanDerWaalsContact C-N 3.34Å; Y246-T248 PolarHBondContact O-N 3.31Å; T248-Q251 PolarHBondContact O-N 2.98Å; T248-L252 VanDerWaalsContact O-CB 3.29Å; T248-L252 WeakPolarHBondContact O-CB 3.44Å; T248-L252 PolarHBondContact O-N 2.8Å |
| 249 | H | 94.8 | Very high | 92 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -72.3 | -31 | -175.9 | -66.3 | -62.3 | 0 | 0 | 0 | 113.2 | F151 D187 L189 W190 L193 V205 K245 Y246 A253 | F151-H249 AromaticContact CE1-ND1 3.72Å; F151-H249 HydrophobicContact CZ-CB 4.47Å; D187-H249 IonicContact OD2-CD2 3.42Å; D187-H249 IonicContact OD2-CE1 3.32Å; D187-H249 IonicContact OD2-NE2 3.7Å; D187-H249 PolarHBondContact OD2-NE2 2.96Å; L189-H249 HydrophobicContact CD2-CB 4.34Å; L189-H249 VanDerWaalsContact CD2-CD2 3.43Å; L189-H249 WeakPolarHBondContact CD2-CD2 3.37Å; W190-H249 AromaticContact CE3-CE1 3.76Å; L193-H249 HydrophobicContact CD1-CB 4.05Å; V205-H249 HydrophobicContact CG1-CB 4.44Å; V205-H249 HydrophobicContact CG2-CB 4.05Å; K245-H249 PolarHBondContact O-CD2 3.03Å; K245-H249 PolarHBondContact O-N 2.71Å; K245-H249 VanDerWaalsContact O-N 3.12Å; Y246-H249 PolarHBondContact O-N 3.17Å; H249-A253 WeakPolarHBondContact O-CB 3.34Å; H249-A253 PolarHBondContact O-N 2.86Å |
| 250 | L | 91.8 | Very high | 92.5 | Very high | 23 Ų | 23 | 47.8 Ų | 47.8 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.8 | -47.2 | 169.3 | -75.2 | 176.4 | 0 | 0 | 0 | 111.4 | V205 M226 Y246 A253 E254 | V205-L250 HydrophobicContact CB-CD2 4Å; V205-L250 HydrophobicContact CB-CG 4.5Å; V205-L250 HydrophobicContact CG1-CD2 3.66Å; V205-L250 HydrophobicContact CG1-CG 3.63Å; M226-L250 HydrophobicContact SD-CB 3.72Å; M226-L250 HydrophobicContact SD-CD1 3.88Å; M226-L250 HydrophobicContact SD-CG 4.46Å; Y246-L250 WeakPolarHBondContact O-CG 3.25Å; Y246-L250 PolarHBondContact O-N 2.78Å; L250-A253 PolarHBondContact O-N 3.41Å; L250-E254 WeakPolarHBondContact O-CB 3.34Å; L250-E254 PolarHBondContact O-N 2.88Å |
| 251 | Q | 93.5 | Very high | 92.9 | Very high | 36 Ų | 36 | 48.8 Ų | 48.8 | 17% | 0.168 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 178.6 | -170.9 | 63.9 | 50 | 0 | 0 | 111.6 | Y166 Y168 M226 S247 T248 A253 E254 D255 | Y166-Q251 WeakPolarHBondContact OH-CG 3.38Å; Y168-Q251 HydrophobicContact CD2-CB 4.11Å; Y168-Q251 HydrophobicContact CD2-CG 3.66Å; Y168-Q251 HydrophobicContact CE2-CB 4.26Å; Y168-Q251 HydrophobicContact CE2-CG 4.3Å; Y168-Q251 HydrophobicContact CG-CB 4.42Å; Y168-Q251 HydrophobicContact CG-CG 3.87Å; M226-Q251 HydrophobicContact CE-CB 4.29Å; S247-Q251 WeakPolarHBondContact O-CB 3.31Å; S247-Q251 PolarHBondContact O-N 2.94Å; T248-Q251 PolarHBondContact O-N 2.98Å; Q251-A253 VanDerWaalsContact C-N 3.32Å; Q251-A253 PolarHBondContact O-N 2.75Å; Q251-E254 PolarHBondContact O-N 2.79Å; Q251-E254 VanDerWaalsContact O-N 3.17Å; Q251-D255 PolarHBondContact NE2-OD1 3.44Å; Q251-D255 WeakPolarHBondContact O-CB 3.2Å; Q251-D255 PolarHBondContact O-N 3.16Å |
| 252 | L | 96.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60 | -43 | 178.2 | -178 | 61.4 | 0 | 0 | 0 | 111.4 | F151 L159 I161 Y166 L183 W190 T248 C256 | F151-L252 HydrophobicContact CE1-CD2 4.1Å; F151-L252 HydrophobicContact CE2-CB 4.23Å; F151-L252 HydrophobicContact CE2-CD2 3.96Å; F151-L252 HydrophobicContact CE2-CG 3.73Å; F151-L252 HydrophobicContact CZ-CB 3.95Å; F151-L252 HydrophobicContact CZ-CD2 3.55Å; F151-L252 HydrophobicContact CZ-CG 3.7Å; L159-L252 HydrophobicContact CD1-CD1 3.42Å; L159-L252 VanDerWaalsContact CD1-CD1 3.42Å; I161-L252 HydrophobicContact CD1-CD1 4.29Å; Y166-L252 HydrophobicContact CD1-CB 4.35Å; Y166-L252 HydrophobicContact CD1-CD1 4.08Å; Y166-L252 HydrophobicContact CD2-CD1 3.92Å; Y166-L252 HydrophobicContact CE1-CB 3.82Å; Y166-L252 HydrophobicContact CE1-CD1 3.97Å; Y166-L252 HydrophobicContact CE1-CG 4.45Å; Y166-L252 HydrophobicContact CE2-CD1 3.84Å; Y166-L252 HydrophobicContact CG-CD1 4.05Å; L183-L252 HydrophobicContact CD1-CD2 4.2Å; L183-L252 HydrophobicContact CD2-CD2 4.22Å; W190-L252 HydrophobicContact CZ3-CD2 3.87Å; T248-L252 VanDerWaalsContact O-CB 3.29Å; T248-L252 WeakPolarHBondContact O-CB 3.44Å; T248-L252 PolarHBondContact O-N 2.8Å; L252-C256 WeakPolarHBondContact O-CB 3.34Å; L252-C256 PolarHBondContact O-N 2.89Å; L252-C256 PolarHBondContact O-SG 2.7Å |
| 253 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.8 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | F151 I198 V201 H249 L250 Q251 C256 M257 | F151-A253 HydrophobicContact CE2-CB 4.01Å; F151-A253 HydrophobicContact CZ-CB 4.4Å; I198-A253 HydrophobicContact CD1-CB 4.21Å; V201-A253 HydrophobicContact CG1-CB 4Å; H249-A253 WeakPolarHBondContact O-CB 3.34Å; H249-A253 PolarHBondContact O-N 2.86Å; L250-A253 PolarHBondContact O-N 3.41Å; Q251-A253 VanDerWaalsContact C-N 3.32Å; Q251-A253 PolarHBondContact O-N 2.75Å; A253-C256 PolarHBondContact O-N 3.1Å; A253-M257 WeakPolarHBondContact O-CG 3.3Å; A253-M257 PolarHBondContact O-N 3.02Å |
| 254 | E | 94.6 | Very high | 93.9 | Very high | 111 Ų | 111 | 42.1 Ų | 42.1 | 52% | 0.519 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.6 | -44.9 | 175.6 | -174.4 | 171.5 | -178.4 | 0 | 0 | 111.6 | L250 Q251 M257 K258 | L250-E254 WeakPolarHBondContact O-CB 3.34Å; L250-E254 PolarHBondContact O-N 2.88Å; Q251-E254 PolarHBondContact O-N 2.79Å; Q251-E254 VanDerWaalsContact O-N 3.17Å; E254-M257 PolarHBondContact O-N 2.81Å; E254-K258 WeakPolarHBondContact O-CB 3.46Å; E254-K258 PolarHBondContact O-N 3.07Å |
| 255 | D | 96.7 | Very high | 94.2 | Very high | 30 Ų | 30 | 42.5 Ų | 42.5 | 16% | 0.16 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.3 | -44 | 176.8 | -74.2 | -1.8 | 0 | 0 | 0 | 111.2 | L159 Y166 Q251 M257 K258 H259 | L159-D255 HydrophobicContact CD1-CB 3.95Å; L159-D255 HydrophobicContact CD2-CB 3.88Å; Y166-D255 PolarHBondContact OH-OD2 3.44Å; Q251-D255 PolarHBondContact NE2-OD1 3.44Å; Q251-D255 WeakPolarHBondContact O-CB 3.2Å; Q251-D255 PolarHBondContact O-N 3.16Å; D255-M257 VanDerWaalsContact C-N 3.33Å; D255-M257 PolarHBondContact O-N 3.42Å; D255-K258 WeakPolarHBondContact O-CB 3.44Å; D255-K258 PolarHBondContact O-N 3.09Å; D255-H259 PolarHBondContact O-CD2 2.77Å; D255-H259 VanDerWaalsContact O-CD2 3.24Å; D255-H259 PolarHBondContact O-N 3.22Å |
| 256 | C | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.2 | -49 | 173.1 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | M154 I198 L252 A253 K258 H259 Y260 | M154-C256 HydrophobicContact CE-CB 3.98Å; M154-C256 WeakPolarHBondContact CE-O 3.41Å; M154-C256 HydrophobicContact CG-CB 4.37Å; M154-C256 HydrophobicContact SD-CB 4Å; I198-C256 HydrophobicContact CD1-CB 3.94Å; I198-C256 HydrophobicContact CG1-CB 4.47Å; L252-C256 WeakPolarHBondContact O-CB 3.34Å; L252-C256 PolarHBondContact O-N 2.89Å; L252-C256 PolarHBondContact O-SG 2.7Å; A253-C256 PolarHBondContact O-N 3.1Å; C256-K258 VanDerWaalsContact C-N 3.33Å; C256-K258 PolarHBondContact O-N 2.74Å; C256-H259 PolarHBondContact O-N 3.35Å; C256-Y260 VanDerWaalsContact O-CB 3.31Å; C256-Y260 WeakPolarHBondContact O-CB 3.41Å; C256-Y260 PolarHBondContact O-N 2.84Å |
| 257 | M | 96.2 | Very high | 94.8 | Very high | 58 Ų | 58 | 43.7 Ų | 43.7 | 29% | 0.286 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.7 | -34.3 | -179.5 | -72.7 | -57.2 | -57.9 | 0 | 0 | 112.8 | I198 A253 E254 D255 Y260 Q261 | I198-M257 HydrophobicContact CG1-CG 4.15Å; I198-M257 HydrophobicContact CG1-SD 3.68Å; I198-M257 HydrophobicContact CG2-SD 4.28Å; A253-M257 WeakPolarHBondContact O-CG 3.3Å; A253-M257 PolarHBondContact O-N 3.02Å; E254-M257 PolarHBondContact O-N 2.81Å; D255-M257 VanDerWaalsContact C-N 3.33Å; D255-M257 PolarHBondContact O-N 3.42Å; M257-Y260 HydrophobicContact CE-CD1 4.11Å; M257-Y260 PolarHBondContact O-N 3.12Å; M257-Q261 VanDerWaalsContact O-CG 3.25Å; M257-Q261 WeakPolarHBondContact O-CG 3.31Å; M257-Q261 PolarHBondContact O-N 3.01Å |
| 258 | K | 96.4 | Very high | 95.2 | Very high | 150 Ų | 150 | 43.5 Ų | 43.5 | 65% | 0.652 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -64.2 | -42.8 | 175.2 | -177.5 | -173.9 | 175.9 | -170.5 | 0 | 111.7 | E254 D255 C256 | E254-K258 WeakPolarHBondContact O-CB 3.46Å; E254-K258 PolarHBondContact O-N 3.07Å; D255-K258 WeakPolarHBondContact O-CB 3.44Å; D255-K258 PolarHBondContact O-N 3.09Å; C256-K258 VanDerWaalsContact C-N 3.33Å; C256-K258 PolarHBondContact O-N 2.74Å |
| 259 | H | 96.2 | Very high | 95.3 | Very high | 93 Ų | 93 | 49 Ų | 49 | 43% | 0.431 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73.7 | -29.4 | 176.9 | -78.7 | -109.7 | 0 | 0 | 0 | 112.5 | L158 D255 C256 V264 | L158-H259 HydrophobicContact CB-CB 4.07Å; L158-H259 HydrophobicContact CD1-CB 4.25Å; L158-H259 PolarHBondContact O-ND1 3.29Å; D255-H259 PolarHBondContact O-CD2 2.77Å; D255-H259 VanDerWaalsContact O-CD2 3.24Å; D255-H259 PolarHBondContact O-N 3.22Å; C256-H259 PolarHBondContact O-N 3.35Å; H259-V264 WeakPolarHBondContact O-CG2 3.35Å |
| 260 | Y | 96 | Very high | 95.5 | Very high | 31 Ų | 31 | 49.7 Ų | 49.7 | 12% | 0.122 | 24% | 0.242 | C | C | . | . | I | π-helix | trans | -69.1 | -43.8 | 176.4 | 176.6 | -99.6 | 0 | 0 | 0 | 113.7 | L149 M154 C256 M257 G262 V264 D265 L377 | L149-Y260 HydrophobicContact CD1-CE2 4.13Å; L149-Y260 HydrophobicContact CD2-CD2 3.81Å; L149-Y260 HydrophobicContact CD2-CE2 3.69Å; M154-Y260 HydrophobicContact CE-CD2 3.95Å; M154-Y260 HydrophobicContact CE-CG 3.96Å; C256-Y260 VanDerWaalsContact O-CB 3.31Å; C256-Y260 WeakPolarHBondContact O-CB 3.41Å; C256-Y260 PolarHBondContact O-N 2.84Å; M257-Y260 HydrophobicContact CE-CD1 4.11Å; M257-Y260 PolarHBondContact O-N 3.12Å; Y260-G262 PolarHBondContact O-N 3.39Å; Y260-V264 HydrophobicContact CD2-CB 4.36Å; Y260-V264 HydrophobicContact CD2-CG1 3.92Å; Y260-V264 HydrophobicContact CE2-CG1 4.49Å; Y260-D265 HydrophobicContact CE1-CB 3.86Å; Y260-D265 HydrophobicContact CE2-CB 4.24Å; Y260-D265 PolarHBondContact O-N 3.46Å; Y260-D265 VanDerWaalsContact O-N 3.12Å; Y260-D265 PolarHBondContact OH-OD1 2.95Å; Y260-L377 WeakPolarHBondContact OH-CD1 3.05Å |
| 261 | Q | 92.9 | Very high | 95.8 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 64% | 0.636 | 24% | 0.236 | S | C | * | . | I | π-helix | trans | -64.9 | 120.6 | -174 | -76.5 | 174.1 | 19 | 0 | 0 | 111.6 | M257 | M257-Q261 VanDerWaalsContact O-CG 3.25Å; M257-Q261 WeakPolarHBondContact O-CG 3.31Å; M257-Q261 PolarHBondContact O-N 3.01Å |
| 262 | G | 89.9 | Confident | 96 | Very high | 44 Ų | 44 | 47 Ų | 47 | 45% | 0.454 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | 113.3 | -89.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y260 K266 | Y260-G262 PolarHBondContact O-N 3.39Å; G262-K266 WeakPolarHBondContact O-CE 3.44Å; G262-K266 WeakPolarHBondContact O-CG 3.38Å |
| 263 | T | 93.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 25% | 0.252 | 24% | 0.239 | S | C | . | . | I | π-helix | trans | -81.7 | -49.4 | -173.1 | -55.4 | 0 | 0 | 0 | 0 | 112.1 | D265 K266 L267 V301 | T263-D265 PolarHBondContact O-N 3.03Å; T263-K266 WeakPolarHBondContact O-CB 3.07Å; T263-K266 PolarHBondContact O-N 3.02Å; T263-K266 VanDerWaalsContact O-N 3.09Å; T263-L267 HydrophobicContact CG2-CD1 4.13Å; T263-L267 HydrophobicContact CG2-CG 4.42Å; T263-L267 WeakPolarHBondContact O-CG 3.24Å; T263-L267 PolarHBondContact O-N 3.49Å; T263-L267 VanDerWaalsContact O-N 3.08Å; T263-V301 HydrophobicContact CG2-CB 4.43Å; T263-V301 HydrophobicContact CG2-CG2 3.75Å |
| 264 | V | 96.4 | Very high | 96 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -65.5 | -37.7 | -174.9 | 178 | 0 | 0 | 0 | 0 | 112.4 | H147 L158 H259 Y260 K266 L267 C268 | H147-V264 HydrophobicContact CB-CG1 4.44Å; L158-V264 HydrophobicContact CD1-CG1 4.41Å; L158-V264 HydrophobicContact CD2-CG1 4.33Å; L158-V264 HydrophobicContact CD2-CG2 3.99Å; H259-V264 WeakPolarHBondContact O-CG2 3.35Å; Y260-V264 HydrophobicContact CD2-CB 4.36Å; Y260-V264 HydrophobicContact CD2-CG1 3.92Å; Y260-V264 HydrophobicContact CE2-CG1 4.49Å; V264-K266 VanDerWaalsContact C-N 3.26Å; V264-K266 PolarHBondContact O-N 3.03Å; V264-L267 WeakPolarHBondContact O-CB 3.21Å; V264-L267 PolarHBondContact O-N 3.29Å; V264-L267 VanDerWaalsContact O-N 3.12Å; V264-C268 PolarHBondContact O-N 3.33Å; V264-C268 PolarHBondContact O-SG 2.98Å |
| 265 | D | 95.3 | Very high | 96 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -54.5 | -41.7 | 171.9 | 177.4 | 61.1 | 0 | 0 | 0 | 112.4 | Y260 T263 R269 L377 | Y260-D265 HydrophobicContact CE1-CB 3.86Å; Y260-D265 HydrophobicContact CE2-CB 4.24Å; Y260-D265 PolarHBondContact O-N 3.46Å; Y260-D265 VanDerWaalsContact O-N 3.12Å; Y260-D265 PolarHBondContact OH-OD1 2.95Å; T263-D265 PolarHBondContact O-N 3.03Å; D265-R269 WeakPolarHBondContact O-CG 3.49Å; D265-R269 PolarHBondContact O-N 3.24Å; D265-R269 IonicContact OD1-NE 3.86Å; D265-R269 IonicContact OD1-NH2 3.4Å; D265-R269 PolarHBondContact OD1-NH2 2.83Å; D265-R269 IonicContact OD2-CZ 3.89Å; D265-R269 IonicContact OD2-NE 3.47Å; D265-R269 PolarHBondContact OD2-NE 3.34Å; D265-R269 IonicContact OD2-NH2 3.34Å; D265-R269 PolarHBondContact OD2-NH2 2.85Å; D265-L377 WeakPolarHBondContact OD1-CD1 2.96Å |
| 266 | K | 95.7 | Very high | 95.9 | Very high | 105 Ų | 105 | 45.9 Ų | 45.9 | 46% | 0.457 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.5 | -40.7 | 177.7 | -63.3 | 173.8 | -169.2 | 171.2 | 0 | 111.4 | G262 T263 V264 R269 I295 | G262-K266 WeakPolarHBondContact O-CE 3.44Å; G262-K266 WeakPolarHBondContact O-CG 3.38Å; T263-K266 WeakPolarHBondContact O-CB 3.07Å; T263-K266 PolarHBondContact O-N 3.02Å; T263-K266 VanDerWaalsContact O-N 3.09Å; V264-K266 VanDerWaalsContact C-N 3.26Å; V264-K266 PolarHBondContact O-N 3.03Å; K266-R269 PolarHBondContact O-N 2.83Å; K266-I295 HydrophobicContact CB-CD1 4.38Å |
| 267 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.5 | -51.2 | 177.4 | -66.3 | 172 | 0 | 0 | 0 | 110.4 | T263 V264 R269 V270 E271 I295 V301 D305 I309 | T263-L267 HydrophobicContact CG2-CD1 4.13Å; T263-L267 HydrophobicContact CG2-CG 4.42Å; T263-L267 WeakPolarHBondContact O-CG 3.24Å; T263-L267 PolarHBondContact O-N 3.49Å; T263-L267 VanDerWaalsContact O-N 3.08Å; V264-L267 WeakPolarHBondContact O-CB 3.21Å; V264-L267 PolarHBondContact O-N 3.29Å; V264-L267 VanDerWaalsContact O-N 3.12Å; L267-R269 PolarHBondContact O-N 3.39Å; L267-R269 VanDerWaalsContact O-N 3.13Å; L267-V270 PolarHBondContact O-N 2.66Å; L267-E271 WeakPolarHBondContact O-CB 3.19Å; L267-E271 VanDerWaalsContact O-CG 3.3Å; L267-E271 WeakPolarHBondContact O-CG 3.46Å; L267-E271 PolarHBondContact O-N 3.25Å; L267-I295 HydrophobicContact CD2-CD1 4.28Å; L267-I295 HydrophobicContact CD2-CG2 3.56Å; L267-V301 HydrophobicContact CD2-CG1 4.07Å; L267-D305 HydrophobicContact CD1-CB 3.69Å; L267-D305 HydrophobicContact CD2-CB 4.39Å; L267-I309 HydrophobicContact CD2-CD1 4.24Å; L267-I309 HydrophobicContact CD2-CG1 4.05Å |
| 268 | C | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -54.3 | -37.9 | -178.6 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | V264 Q272 L377 | V264-C268 PolarHBondContact O-N 3.33Å; V264-C268 PolarHBondContact O-SG 2.98Å; C268-Q272 WeakPolarHBondContact O-CB 3.28Å; C268-Q272 WeakPolarHBondContact O-CG 3.34Å; C268-Q272 PolarHBondContact O-N 3.03Å; C268-L377 HydrophobicContact CB-CB 4.31Å; C268-L377 HydrophobicContact CB-CD1 4.35Å; C268-L377 HydrophobicContact CB-CD2 4.47Å |
| 269 | R | 95.6 | Very high | 95.2 | Very high | 119 Ų | 119 | 40.7 Ų | 40.7 | 45% | 0.449 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.6 | -52.5 | 176 | -70.4 | 169.2 | -167.1 | -77.6 | -6.6 | 111.6 | D265 K266 L267 D273 L377 | D265-R269 WeakPolarHBondContact O-CG 3.49Å; D265-R269 PolarHBondContact O-N 3.24Å; D265-R269 IonicContact OD1-NE 3.86Å; D265-R269 IonicContact OD1-NH2 3.4Å; D265-R269 PolarHBondContact OD1-NH2 2.83Å; D265-R269 IonicContact OD2-CZ 3.89Å; D265-R269 IonicContact OD2-NE 3.47Å; D265-R269 PolarHBondContact OD2-NE 3.34Å; D265-R269 IonicContact OD2-NH2 3.34Å; D265-R269 PolarHBondContact OD2-NH2 2.85Å; K266-R269 PolarHBondContact O-N 2.83Å; L267-R269 PolarHBondContact O-N 3.39Å; L267-R269 VanDerWaalsContact O-N 3.13Å; R269-D273 PolarHBondContact O-N 3.3Å; R269-L377 HydrophobicContact CB-CD2 4.25Å; R269-L377 HydrophobicContact CG-CD2 3.49Å; R269-L377 VanDerWaalsContact CG-CD2 3.49Å |
| 270 | V | 97.6 | Very high | 94.9 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 9% | 0.085 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.1 | -42.1 | -178.9 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L267 Q272 D273 L274 A291 I292 I295 I309 | L267-V270 PolarHBondContact O-N 2.66Å; V270-Q272 PolarHBondContact O-N 3.34Å; V270-D273 PolarHBondContact O-N 2.82Å; V270-L274 HydrophobicContact CG1-CD1 3.89Å; V270-L274 HydrophobicContact CG1-CG 4.25Å; V270-L274 VanDerWaalsContact O-CG 3.24Å; V270-L274 WeakPolarHBondContact O-CG 3.5Å; V270-L274 PolarHBondContact O-N 3.06Å; V270-A291 HydrophobicContact CG1-CB 4.18Å; V270-A291 HydrophobicContact CG2-CB 4.19Å; V270-I292 HydrophobicContact CG1-CG1 4.11Å; V270-I295 HydrophobicContact CG2-CG1 4.23Å; V270-I309 HydrophobicContact CB-CD1 4.16Å; V270-I309 HydrophobicContact CG1-CD1 4.08Å |
| 271 | E | 98.4 | Very high | 94.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.4 | -46.8 | 179 | -74.1 | -174.5 | -178.4 | 0 | 0 | 112.7 | L146 H147 L267 L274 A275 I309 L312 | L146-E271 HydrophobicContact CD2-CB 3.72Å; L146-E271 HydrophobicContact CD2-CG 4.42Å; H147-E271 WeakPolarHBondContact CB-OE2 3.48Å; H147-E271 IonicContact CE1-OE1 3.6Å; H147-E271 IonicContact CG-OE1 3.32Å; H147-E271 IonicContact CG-OE2 2.72Å; H147-E271 PolarHBondContact N-OE2 2.98Å; H147-E271 IonicContact ND1-OE1 2.81Å; H147-E271 PolarHBondContact ND1-OE1 3.46Å; H147-E271 IonicContact ND1-OE2 3.25Å; H147-E271 PolarHBondContact ND1-OE2 2.72Å; L267-E271 WeakPolarHBondContact O-CB 3.19Å; L267-E271 VanDerWaalsContact O-CG 3.3Å; L267-E271 WeakPolarHBondContact O-CG 3.46Å; L267-E271 PolarHBondContact O-N 3.25Å; E271-L274 PolarHBondContact O-N 3.25Å; E271-A275 VanDerWaalsContact O-CB 3.31Å; E271-A275 WeakPolarHBondContact O-CB 3.23Å; E271-A275 PolarHBondContact O-N 3.17Å; E271-I309 HydrophobicContact CG-CD1 3.52Å; E271-L312 HydrophobicContact CB-CD1 3.89Å; E271-L312 HydrophobicContact CG-CD1 3.6Å |
| 272 | Q | 97 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 179.8 | -66.2 | -68.3 | -45 | 0 | 0 | 111.3 | C268 V270 L274 A275 M276 L377 R379 | C268-Q272 WeakPolarHBondContact O-CB 3.28Å; C268-Q272 WeakPolarHBondContact O-CG 3.34Å; C268-Q272 PolarHBondContact O-N 3.03Å; V270-Q272 PolarHBondContact O-N 3.34Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; Q272-L274 PolarHBondContact O-N 2.83Å; Q272-A275 PolarHBondContact O-N 3.16Å; Q272-M276 WeakPolarHBondContact O-CB 3.35Å; Q272-M276 WeakPolarHBondContact O-CG 3.47Å; Q272-M276 PolarHBondContact O-N 2.88Å; Q272-L377 WeakPolarHBondContact CG-O 3.45Å; Q272-L377 PolarHBondContact NE2-O 3.35Å; Q272-R379 VanDerWaalsContact CB-NH2 3.31Å |
| 273 | D | 96.1 | Very high | 94.3 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 21% | 0.209 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 174.3 | -72.1 | -7.1 | 0 | 0 | 0 | 112 | R269 V270 G277 D279 I285 R379 | R269-D273 PolarHBondContact O-N 3.3Å; V270-D273 PolarHBondContact O-N 2.82Å; D273-G277 VanDerWaalsContact O-CA 3.28Å; D273-G277 WeakPolarHBondContact O-CA 3.31Å; D273-G277 PolarHBondContact O-N 3.11Å; D273-D279 WeakPolarHBondContact OD1-CA 3.2Å; D273-I285 HydrophobicContact CB-CD1 3.77Å; D273-I285 HydrophobicContact CB-CG1 4.05Å; D273-R379 IonicContact OD1-CZ 3.68Å; D273-R379 IonicContact OD1-NH1 3.76Å; D273-R379 IonicContact OD1-NH2 2.7Å; D273-R379 PolarHBondContact OD1-NH2 3.2Å |
| 274 | L | 97.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 49.1 Ų | 49.1 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -71.5 | -41.9 | 178.3 | -66 | 175.2 | 0 | 0 | 0 | 112.7 | V270 E271 Q272 P288 I292 I309 L312 Y313 L316 | V270-L274 HydrophobicContact CG1-CD1 3.89Å; V270-L274 HydrophobicContact CG1-CG 4.25Å; V270-L274 VanDerWaalsContact O-CG 3.24Å; V270-L274 WeakPolarHBondContact O-CG 3.5Å; V270-L274 PolarHBondContact O-N 3.06Å; E271-L274 PolarHBondContact O-N 3.25Å; Q272-L274 VanDerWaalsContact C-N 3.31Å; Q272-L274 PolarHBondContact O-N 2.83Å; L274-P288 HydrophobicContact CD2-CB 3.87Å; L274-I292 HydrophobicContact CD1-CD1 3.94Å; L274-I292 HydrophobicContact CD1-CG1 4.07Å; L274-I292 HydrophobicContact CD2-CD1 3.8Å; L274-I292 HydrophobicContact CD2-CG1 4.47Å; L274-I292 HydrophobicContact CG-CD1 4.48Å; L274-I309 HydrophobicContact CD1-CG2 4.23Å; L274-L312 HydrophobicContact CB-CB 3.95Å; L274-L312 HydrophobicContact CD1-CB 4.01Å; L274-Y313 HydrophobicContact CD2-CD2 4.37Å; L274-L316 HydrophobicContact CD2-CD2 3.79Å |
| 275 | A | 95.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 50.6 Ų | 50.6 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V142 L146 E271 Q272 W380 | V142-A275 HydrophobicContact CG1-CB 3.76Å; L146-A275 HydrophobicContact CD1-CB 4.1Å; L146-A275 HydrophobicContact CD2-CB 4.09Å; E271-A275 VanDerWaalsContact O-CB 3.31Å; E271-A275 WeakPolarHBondContact O-CB 3.23Å; E271-A275 PolarHBondContact O-N 3.17Å; Q272-A275 PolarHBondContact O-N 3.16Å; A275-W380 HydrophobicContact CB-CB 4.49Å; A275-W380 HydrophobicContact CB-CD2 4.17Å; A275-W380 HydrophobicContact CB-CE3 3.74Å; A275-W380 HydrophobicContact CB-CZ3 4.29Å; A275-W380 WeakPolarHBondContact O-CZ3 3.16Å |
| 276 | M | 93.2 | Very high | 93.8 | Very high | 55 Ų | 55 | 58 Ų | 58 | 27% | 0.271 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -80.8 | -27.4 | -178.3 | -61 | -58.4 | -70.8 | 0 | 0 | 112.8 | Q272 T278 V370 R379 W380 | Q272-M276 WeakPolarHBondContact O-CB 3.35Å; Q272-M276 WeakPolarHBondContact O-CG 3.47Å; Q272-M276 PolarHBondContact O-N 2.88Å; M276-T278 PolarHBondContact O-N 3.24Å; M276-V370 HydrophobicContact CE-CG2 4.06Å; M276-R379 HydrophobicContact CE-CB 4.2Å; M276-R379 HydrophobicContact CG-CB 3.98Å; M276-R379 HydrophobicContact SD-CB 4.16Å; M276-W380 HydrophobicContact SD-CB 4.25Å; M276-W380 HydrophobicContact SD-CE3 4.01Å |
| 277 | G | 92.7 | Very high | 93.7 | Very high | 19 Ų | 19 | 56.2 Ų | 56.2 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | S | Bend | trans | 68.8 | 7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114 | D273 I285 | D273-G277 VanDerWaalsContact O-CA 3.28Å; D273-G277 WeakPolarHBondContact O-CA 3.31Å; D273-G277 PolarHBondContact O-N 3.11Å; G277-I285 PolarHBondContact O-N 3.03Å |
| 278 | T | 92.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 56.5 Ų | 56.5 | 22% | 0.221 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -138.6 | 152.6 | 178.7 | 46.2 | 0 | 0 | 0 | 0 | 109.9 | M276 G282 E283 K284 R379 | M276-T278 PolarHBondContact O-N 3.24Å; T278-G282 WeakPolarHBondContact CG2-O 3.47Å; T278-E283 CarbonylContact C-O 3.44Å; T278-E283 WeakPolarHBondContact CA-O 3.16Å; T278-E283 WeakPolarHBondContact CB-O 3.45Å; T278-K284 HydrophobicContact CG2-CG 4.23Å; T278-R379 PolarHBondContact O-NH1 3.39Å |
| 279 | D | 91.7 | Very high | 93.2 | Very high | 45 Ų | 45 | 58.9 Ų | 58.9 | 24% | 0.241 | 30% | 0.304 | C | S | . | . | trans | -80.1 | -178.7 | 174.6 | 63.7 | 19.4 | 0 | 0 | 0 | 112.1 | D273 E281 G282 E283 I285 R379 | D273-D279 WeakPolarHBondContact OD1-CA 3.2Å; D279-E281 PolarHBondContact O-N 2.66Å; D279-E281 PolarHBondContact OD1-N 3.08Å; D279-E281 VanDerWaalsContact OD1-N 3.16Å; D279-G282 PolarHBondContact O-N 3.17Å; D279-G282 PolarHBondContact OD1-N 3.21Å; D279-G282 VanDerWaalsContact OD1-N 3.11Å; D279-E283 PolarHBondContact N-O 3.24Å; D279-E283 WeakPolarHBondContact OD1-CB 3.5Å; D279-E283 PolarHBondContact OD1-N 3.12Å; D279-E283 WeakPolarHBondContact OD2-CB 3.43Å; D279-I285 HydrophobicContact CB-CD1 3.83Å; D279-R379 PolarHBondContact O-NH1 2.74Å | ||
| 280 | A | 89.4 | Confident | 93.1 | Very high | 43 Ų | 43 | 62.7 Ų | 62.7 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q376 | A280-Q376 HydrophobicContact CB-CG 4.37Š|
| 281 | E | 88.4 | Confident | 93 | Very high | 142 Ų | 142 | 64 Ų | 64 | 66% | 0.664 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -5.3 | 176.9 | -63.6 | 69.7 | -152.5 | 0 | 0 | 112.7 | D279 | D279-E281 PolarHBondContact O-N 2.66Å; D279-E281 PolarHBondContact OD1-N 3.08Å; D279-E281 VanDerWaalsContact OD1-N 3.16Å |
| 282 | G | 87.6 | Confident | 92.9 | Very high | 46 Ų | 46 | 64 Ų | 64 | 47% | 0.474 | 33% | 0.33 | S | S | . | . | S | Bend | trans | 87.7 | 6.7 | -180 | 0 | 0 | 0 | 0 | 0 | 114.1 | T278 D279 | T278-G282 WeakPolarHBondContact CG2-O 3.47Å; D279-G282 PolarHBondContact O-N 3.17Å; D279-G282 PolarHBondContact OD1-N 3.21Å; D279-G282 VanDerWaalsContact OD1-N 3.11Å |
| 283 | E | 91 | Very high | 92.8 | Very high | 125 Ų | 125 | 66.2 Ų | 66.2 | 58% | 0.584 | 34% | 0.344 | S | S | * | . | trans | -79.5 | 139.5 | 178.2 | -69.5 | -66.7 | 138.7 | 0 | 0 | 110.8 | T278 D279 I285 | T278-E283 CarbonylContact C-O 3.44Å; T278-E283 WeakPolarHBondContact CA-O 3.16Å; T278-E283 WeakPolarHBondContact CB-O 3.45Å; D279-E283 PolarHBondContact N-O 3.24Å; D279-E283 WeakPolarHBondContact OD1-CB 3.5Å; D279-E283 PolarHBondContact OD1-N 3.12Å; D279-E283 WeakPolarHBondContact OD2-CB 3.43Å; E283-I285 PolarHBondContact O-N 3.17Å | ||
| 284 | K | 92.6 | Very high | 92.8 | Very high | 165 Ų | 165 | 68 Ų | 68 | 72% | 0.717 | 36% | 0.358 | S | S | * | . | B | Isolated β-bridge | trans | -64.4 | 134.9 | -178.7 | -71.7 | -175 | 179 | 179.2 | 0 | 111.5 | T278 K286 | T278-K284 HydrophobicContact CG2-CG 4.23Å; K284-K286 PolarHBondContact O-N 3.25Å; K284-K286 VanDerWaalsContact O-N 3.1Å |
| 285 | I | 92.8 | Very high | 92.8 | Very high | 44 Ų | 44 | 68.4 Ų | 68.4 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | trans | -67.6 | 111.4 | 176 | -53.1 | -58 | 0 | 0 | 0 | 110.2 | D273 G277 D279 E283 P288 | D273-I285 HydrophobicContact CB-CD1 3.77Å; D273-I285 HydrophobicContact CB-CG1 4.05Å; G277-I285 PolarHBondContact O-N 3.03Å; D279-I285 HydrophobicContact CB-CD1 3.83Å; E283-I285 PolarHBondContact O-N 3.17Å; I285-P288 HydrophobicContact CG2-CB 4.15Å; I285-P288 HydrophobicContact CG2-CG 3.75Å | ||
| 286 | K | 89.4 | Confident | 92.9 | Very high | 195 Ų | 195 | 67.6 Ų | 67.6 | 85% | 0.848 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -78.9 | -44.6 | -176.1 | -65 | 177.9 | -175.7 | 169 | 0 | 113.1 | K284 | K284-K286 PolarHBondContact O-N 3.25Å; K284-K286 VanDerWaalsContact O-N 3.1Å |
| 287 | D | 92.1 | Very high | 93 | Very high | 69 Ų | 69 | 70.2 Ų | 70.2 | 37% | 0.369 | 37% | 0.367 | S | S | . | . | trans | -135.7 | 82.5 | -177 | -172.6 | -0.3 | 0 | 0 | 0 | 111 | M289 R290 | D287-M289 PolarHBondContact O-N 2.91Å; D287-M289 PolarHBondContact OD1-N 2.87Å; D287-R290 HydrophobicContact CB-CG 4.35Å; D287-R290 PolarHBondContact O-N 3.05Å; D287-R290 VanDerWaalsContact OD2-CD 3.31Å; D287-R290 WeakPolarHBondContact OD2-CD 3.4Å; D287-R290 VanDerWaalsContact OD2-CG 3.27Å; D287-R290 WeakPolarHBondContact OD2-CG 3.37Å; D287-R290 IonicContact OD2-CZ 3.77Å; D287-R290 IonicContact OD2-NE 2.82Å; D287-R290 PolarHBondContact OD2-NE 2.78Å | ||
| 288 | P | 93.4 | Very high | 93.2 | Very high | 6 Ų | 6 | 71.1 Ų | 71.1 | 4% | 0.039 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.6 | -179.4 | -20.7 | 29.7 | 0 | 0 | 0 | 113.4 | L274 I285 R290 A291 I292 Y313 L316 | L274-P288 HydrophobicContact CD2-CB 3.87Å; I285-P288 HydrophobicContact CG2-CB 4.15Å; I285-P288 HydrophobicContact CG2-CG 3.75Å; P288-R290 VanDerWaalsContact C-N 3.29Å; P288-R290 PolarHBondContact O-N 3.39Å; P288-A291 PolarHBondContact O-N 3.25Å; P288-I292 HydrophobicContact CB-CD1 4.19Å; P288-I292 WeakPolarHBondContact O-CD1 3.14Å; P288-I292 WeakPolarHBondContact O-CG1 3.35Å; P288-I292 PolarHBondContact O-N 3.33Å; P288-I292 VanDerWaalsContact O-N 3.14Å; P288-Y313 HydrophobicContact CB-CD2 4.15Å; P288-Y313 HydrophobicContact CB-CE2 4.16Å; P288-L316 HydrophobicContact CB-CD2 4.44Å; P288-L316 HydrophobicContact CG-CD2 3.97Å |
| 289 | M | 93.3 | Very high | 93.4 | Very high | 50 Ų | 50 | 73.9 Ų | 73.9 | 25% | 0.246 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.3 | -30 | -175.5 | -65.4 | -76.6 | 76.8 | 0 | 0 | 112.6 | D287 A291 I292 V293 Y313 L328 | D287-M289 PolarHBondContact O-N 2.91Å; D287-M289 PolarHBondContact OD1-N 2.87Å; M289-A291 PolarHBondContact O-N 3Å; M289-I292 HydrophobicContact CE-CB 3.84Å; M289-I292 HydrophobicContact CE-CD1 3.23Å; M289-I292 HydrophobicContact CE-CG1 4.11Å; M289-I292 HydrophobicContact CE-CG2 3.94Å; M289-I292 PolarHBondContact O-N 3.17Å; M289-V293 WeakPolarHBondContact O-CB 3.46Å; M289-V293 VanDerWaalsContact O-CG2 3.32Å; M289-V293 WeakPolarHBondContact O-CG2 3.46Å; M289-V293 PolarHBondContact O-N 3.24Å; M289-Y313 HydrophobicContact CE-CD1 3.98Å; M289-Y313 HydrophobicContact CE-CD2 3.64Å; M289-Y313 HydrophobicContact CE-CE1 3.8Å; M289-Y313 HydrophobicContact CE-CE2 3.45Å; M289-Y313 VanDerWaalsContact CE-CE2 3.45Å; M289-Y313 HydrophobicContact CE-CG 3.9Å; M289-Y313 HydrophobicContact SD-CE1 4.22Å; M289-Y313 HydrophobicContact SD-CE2 4.23Å; M289-L328 HydrophobicContact CE-CD2 4.08Å; M289-L328 HydrophobicContact SD-CD2 4.1Å |
| 290 | R | 93.9 | Very high | 93.5 | Very high | 198 Ų | 198 | 77.9 Ų | 77.9 | 75% | 0.747 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -61.4 | -33.2 | 175.1 | -74.1 | 177 | -171.8 | -156.1 | -6.1 | 113.1 | D287 P288 P294 | D287-R290 HydrophobicContact CB-CG 4.35Å; D287-R290 PolarHBondContact O-N 3.05Å; D287-R290 VanDerWaalsContact OD2-CD 3.31Å; D287-R290 WeakPolarHBondContact OD2-CD 3.4Å; D287-R290 VanDerWaalsContact OD2-CG 3.27Å; D287-R290 WeakPolarHBondContact OD2-CG 3.37Å; D287-R290 IonicContact OD2-CZ 3.77Å; D287-R290 IonicContact OD2-NE 2.82Å; D287-R290 PolarHBondContact OD2-NE 2.78Å; P288-R290 VanDerWaalsContact C-N 3.29Å; P288-R290 PolarHBondContact O-N 3.39Å; R290-P294 WeakPolarHBondContact O-CD 3.35Å; R290-P294 WeakPolarHBondContact O-CG 3.48Å |
| 291 | A | 93.7 | Very high | 93.9 | Very high | 41 Ų | 41 | 76.2 Ų | 76.2 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -83.4 | -35.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V270 P288 M289 | V270-A291 HydrophobicContact CG1-CB 4.18Å; V270-A291 HydrophobicContact CG2-CB 4.19Å; P288-A291 PolarHBondContact O-N 3.25Å; M289-A291 PolarHBondContact O-N 3Å |
| 292 | I | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -75.7 | -47 | -175.7 | -69.5 | 163.2 | 0 | 0 | 0 | 112.5 | V270 L274 P288 M289 I295 L296 I309 Y313 | V270-I292 HydrophobicContact CG1-CG1 4.11Å; L274-I292 HydrophobicContact CD1-CD1 3.94Å; L274-I292 HydrophobicContact CD1-CG1 4.07Å; L274-I292 HydrophobicContact CD2-CD1 3.8Å; L274-I292 HydrophobicContact CD2-CG1 4.47Å; L274-I292 HydrophobicContact CG-CD1 4.48Å; P288-I292 HydrophobicContact CB-CD1 4.19Å; P288-I292 WeakPolarHBondContact O-CD1 3.14Å; P288-I292 WeakPolarHBondContact O-CG1 3.35Å; P288-I292 PolarHBondContact O-N 3.33Å; P288-I292 VanDerWaalsContact O-N 3.14Å; M289-I292 HydrophobicContact CE-CB 3.84Å; M289-I292 HydrophobicContact CE-CD1 3.23Å; M289-I292 HydrophobicContact CE-CG1 4.11Å; M289-I292 HydrophobicContact CE-CG2 3.94Å; M289-I292 PolarHBondContact O-N 3.17Å; I292-I295 WeakPolarHBondContact O-CB 3.46Å; I292-I295 PolarHBondContact O-N 3.02Å; I292-L296 HydrophobicContact CG2-CD1 3.65Å; I292-L296 HydrophobicContact CG2-CD2 4.3Å; I292-L296 HydrophobicContact CG2-CG 3.77Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 3.46Å; I292-I309 HydrophobicContact CB-CG2 4.38Å; I292-I309 HydrophobicContact CG1-CG2 3.92Å; I292-I309 HydrophobicContact CG2-CG2 3.92Å; I292-Y313 HydrophobicContact CD1-CD2 3.47Å; I292-Y313 VanDerWaalsContact CD1-CD2 3.47Å; I292-Y313 HydrophobicContact CD1-CE2 4.32Å; I292-Y313 HydrophobicContact CD1-CG 3.69Å |
| 293 | V | 95.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 72 Ų | 72 | 30% | 0.303 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -55.8 | -43.8 | -173.2 | 169.9 | 0 | 0 | 0 | 0 | 113 | M289 I295 L296 L297 | M289-V293 WeakPolarHBondContact O-CB 3.46Å; M289-V293 VanDerWaalsContact O-CG2 3.32Å; M289-V293 WeakPolarHBondContact O-CG2 3.46Å; M289-V293 PolarHBondContact O-N 3.24Å; V293-I295 VanDerWaalsContact C-N 3.28Å; V293-I295 PolarHBondContact O-N 3.06Å; V293-L296 PolarHBondContact O-N 3.46Å; V293-L297 HydrophobicContact CG1-CD1 3.69Å; V293-L297 HydrophobicContact CG1-CG 4.23Å; V293-L297 WeakPolarHBondContact O-CG 3.45Å; V293-L297 PolarHBondContact O-N 2.91Å |
| 294 | P | 96.8 | Very high | 95.2 | Very high | 78 Ų | 78 | 68.2 Ų | 68.2 | 51% | 0.506 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.8 | -37.4 | 175 | -26.2 | 35.7 | 0 | 0 | 0 | 113.9 | R290 D298 | R290-P294 WeakPolarHBondContact O-CD 3.35Å; R290-P294 WeakPolarHBondContact O-CG 3.48Å; P294-D298 PolarHBondContact O-N 3.19Å |
| 295 | I | 97.2 | Very high | 95.5 | Very high | 13 Ų | 13 | 61.5 Ų | 61.5 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.1 | -43 | 177.1 | -61.9 | -62.7 | 0 | 0 | 0 | 110.8 | K266 L267 V270 I292 V293 L297 D298 V301 I309 | K266-I295 HydrophobicContact CB-CD1 4.38Å; L267-I295 HydrophobicContact CD2-CD1 4.28Å; L267-I295 HydrophobicContact CD2-CG2 3.56Å; V270-I295 HydrophobicContact CG2-CG1 4.23Å; I292-I295 WeakPolarHBondContact O-CB 3.46Å; I292-I295 PolarHBondContact O-N 3.02Å; V293-I295 VanDerWaalsContact C-N 3.28Å; V293-I295 PolarHBondContact O-N 3.06Å; I295-L297 VanDerWaalsContact C-N 3.3Å; I295-L297 PolarHBondContact O-N 3.33Å; I295-D298 PolarHBondContact O-N 3.13Å; I295-V301 HydrophobicContact CG2-CG1 4.04Å; I295-V301 HydrophobicContact CG2-CG2 4.21Å; I295-I309 HydrophobicContact CG2-CG1 4.19Å |
| 296 | L | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -34.2 | -179.6 | -59.4 | -172.6 | 0 | 0 | 0 | 112.4 | I292 V293 K306 I310 L328 A332 | I292-L296 HydrophobicContact CG2-CD1 3.65Å; I292-L296 HydrophobicContact CG2-CD2 4.3Å; I292-L296 HydrophobicContact CG2-CG 3.77Å; I292-L296 WeakPolarHBondContact O-CG 3.45Å; I292-L296 PolarHBondContact O-N 3.46Å; V293-L296 PolarHBondContact O-N 3.46Å; L296-K306 HydrophobicContact CD2-CB 3.98Å; L296-K306 HydrophobicContact CD2-CG 4.19Å; L296-K306 VanDerWaalsContact O-CE 3.32Å; L296-K306 WeakPolarHBondContact O-CE 3.26Å; L296-K306 PolarHBondContact O-NZ 3.07Å; L296-I310 HydrophobicContact CD1-CD1 4.45Å; L296-I310 HydrophobicContact CD1-CG1 4.33Å; L296-I310 HydrophobicContact CD2-CD1 4.06Å; L296-I310 HydrophobicContact CD2-CG1 3.95Å; L296-L328 HydrophobicContact CD1-CB 4.46Å; L296-L328 HydrophobicContact CD1-CD2 3.74Å; L296-A332 HydrophobicContact CB-CB 4.07Å; L296-A332 HydrophobicContact CD1-CB 4.41Å; L296-A332 HydrophobicContact CD2-CB 4.04Å; L296-A332 HydrophobicContact CG-CB 4.37Å |
| 297 | L | 96.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 50.9 Ų | 50.9 | 57% | 0.571 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -82 | -14.8 | 178.8 | -64.4 | 175 | 0 | 0 | 0 | 113.8 | V293 I295 A299 | V293-L297 HydrophobicContact CG1-CD1 3.69Å; V293-L297 HydrophobicContact CG1-CG 4.23Å; V293-L297 WeakPolarHBondContact O-CG 3.45Å; V293-L297 PolarHBondContact O-N 2.91Å; I295-L297 VanDerWaalsContact C-N 3.3Å; I295-L297 PolarHBondContact O-N 3.33Å; L297-A299 PolarHBondContact O-N 3.2Å |
| 298 | D | 96.6 | Very high | 96.5 | Very high | 38 Ų | 38 | 47.8 Ų | 47.8 | 20% | 0.203 | 27% | 0.266 | C | S | . | . | trans | -73.6 | 123.8 | 179.6 | -166.9 | -17.3 | 0 | 0 | 0 | 110.2 | P294 I295 N300 V301 K306 | P294-D298 PolarHBondContact O-N 3.19Å; I295-D298 PolarHBondContact O-N 3.13Å; D298-N300 VanDerWaalsContact C-N 3.27Å; D298-N300 PolarHBondContact O-N 2.71Å; D298-N300 WeakPolarHBondContact OD1-CB 3.21Å; D298-N300 PolarHBondContact OD1-N 3.13Å; D298-N300 PolarHBondContact OD1-ND2 3.18Å; D298-V301 HydrophobicContact CB-CB 4.5Å; D298-V301 HydrophobicContact CB-CG2 3.77Å; D298-K306 VanDerWaalsContact O-CE 3.22Å; D298-K306 WeakPolarHBondContact O-CE 3.2Å; D298-K306 PolarHBondContact O-NZ 2.63Å | ||
| 299 | A | 95.3 | Very high | 96.8 | Very high | 95 Ų | 95 | 47.5 Ų | 47.5 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L297 V301 | L297-A299 PolarHBondContact O-N 3.2Å; A299-V301 VanDerWaalsContact C-N 3.34Å |
| 300 | N | 95.3 | Very high | 97 | Very high | 129 Ų | 129 | 45.1 Ų | 45.1 | 69% | 0.69 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -9.4 | 177.1 | -53.7 | -68 | 0 | 0 | 0 | 113 | D298 | D298-N300 VanDerWaalsContact C-N 3.27Å; D298-N300 PolarHBondContact O-N 2.71Å; D298-N300 WeakPolarHBondContact OD1-CB 3.21Å; D298-N300 PolarHBondContact OD1-N 3.13Å; D298-N300 PolarHBondContact OD1-ND2 3.18Å |
| 301 | V | 97.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 35.7 Ų | 35.7 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -88.2 | 129.7 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 108.5 | T263 L267 I295 D298 A299 D305 K306 | T263-V301 HydrophobicContact CG2-CB 4.43Å; T263-V301 HydrophobicContact CG2-CG2 3.75Å; L267-V301 HydrophobicContact CD2-CG1 4.07Å; I295-V301 HydrophobicContact CG2-CG1 4.04Å; I295-V301 HydrophobicContact CG2-CG2 4.21Å; D298-V301 HydrophobicContact CB-CB 4.5Å; D298-V301 HydrophobicContact CB-CG2 3.77Å; A299-V301 VanDerWaalsContact C-N 3.34Å; V301-D305 HydrophobicContact CG1-CB 3.64Å; V301-K306 HydrophobicContact CB-CG 4.38Å; V301-K306 HydrophobicContact CG1-CG 3.76Å; V301-K306 WeakPolarHBondContact O-CE 3.46Å |
| 302 | S | 97.4 | Very high | 97.5 | Very high | 52 Ų | 52 | 33.8 Ų | 33.8 | 36% | 0.364 | 20% | 0.201 | S | C | . | . | trans | -66.2 | 157.9 | -179 | 80.1 | 0 | 0 | 0 | 0 | 111.9 | Y304 D305 K306 | S302-Y304 VanDerWaalsContact C-N 3.27Å; S302-Y304 PolarHBondContact O-N 3.44Å; S302-D305 WeakPolarHBondContact CB-OD2 3.37Å; S302-D305 PolarHBondContact O-N 2.89Å; S302-D305 WeakPolarHBondContact OG-CB 3.2Å; S302-D305 PolarHBondContact OG-N 3.24Å; S302-D305 VanDerWaalsContact OG-N 3.09Å; S302-D305 PolarHBondContact OG-OD2 3.15Å; S302-K306 WeakPolarHBondContact O-CG 3.12Å; S302-K306 PolarHBondContact O-N 3.41Å; S302-K306 VanDerWaalsContact O-N 3.07Å | ||
| 303 | T | 98.2 | Very high | 97.6 | Very high | 49 Ų | 49 | 34.9 Ų | 34.9 | 30% | 0.301 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -56.8 | -42.9 | 175.4 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | K306 I307 I334 D338 | T303-K306 PolarHBondContact O-N 2.98Å; T303-I307 HydrophobicContact CG2-CD1 4.07Å; T303-I307 WeakPolarHBondContact O-CG1 3.27Å; T303-I307 PolarHBondContact O-N 2.92Å; T303-I334 HydrophobicContact CG2-CB 4.45Å; T303-I334 HydrophobicContact CG2-CG1 4.23Å; T303-I334 HydrophobicContact CG2-CG2 3.91Å; T303-D338 HydrophobicContact CG2-CB 3.97Å |
| 304 | Y | 98.4 | Very high | 97.7 | Very high | 44 Ų | 44 | 32.5 Ų | 32.5 | 17% | 0.173 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.7 | -38 | -178.6 | -79.5 | 20.9 | 0 | 0 | 0 | 111.5 | S302 K306 I307 R308 I341 T478 L481 E482 | S302-Y304 VanDerWaalsContact C-N 3.27Å; S302-Y304 PolarHBondContact O-N 3.44Å; Y304-K306 PolarHBondContact O-N 2.92Å; Y304-I307 HydrophobicContact CD1-CD1 4.44Å; Y304-I307 WeakPolarHBondContact O-CB 3.45Å; Y304-I307 PolarHBondContact O-N 2.81Å; Y304-I307 VanDerWaalsContact O-N 3.16Å; Y304-R308 VanDerWaalsContact O-CG 3.31Å; Y304-R308 WeakPolarHBondContact O-CG 3.4Å; Y304-R308 PolarHBondContact O-N 2.98Å; Y304-I341 HydrophobicContact CE1-CD1 4.14Å; Y304-T478 HydrophobicContact CD2-CG2 4.01Å; Y304-T478 HydrophobicContact CE2-CG2 3.87Å; Y304-L481 HydrophobicContact CD2-CB 4.13Å; Y304-L481 HydrophobicContact CD2-CD1 3.73Å; Y304-L481 HydrophobicContact CE2-CB 4.06Å; Y304-L481 HydrophobicContact CE2-CD1 4.49Å; Y304-L481 HydrophobicContact CG-CD1 3.79Å; Y304-E482 HydrophobicContact CE2-CG 4.13Å |
| 305 | D | 98.6 | Very high | 97.6 | Very high | 24 Ų | 24 | 29.5 Ų | 29.5 | 13% | 0.128 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -39.7 | 174.3 | -63.7 | -35.1 | 0 | 0 | 0 | 112.2 | H147 L267 V301 S302 I307 R308 I309 | H147-D305 IonicContact CE1-OD1 3.72Å; H147-D305 PolarHBondContact CE1-OD1 3.05Å; H147-D305 VanDerWaalsContact CE1-OD1 3.26Å; H147-D305 IonicContact NE2-OD1 3.98Å; L267-D305 HydrophobicContact CD1-CB 3.69Å; L267-D305 HydrophobicContact CD2-CB 4.39Å; V301-D305 HydrophobicContact CG1-CB 3.64Å; S302-D305 WeakPolarHBondContact CB-OD2 3.37Å; S302-D305 PolarHBondContact O-N 2.89Å; S302-D305 WeakPolarHBondContact OG-CB 3.2Å; S302-D305 PolarHBondContact OG-N 3.24Å; S302-D305 VanDerWaalsContact OG-N 3.09Å; S302-D305 PolarHBondContact OG-OD2 3.15Å; D305-I307 VanDerWaalsContact C-N 3.31Å; D305-I307 PolarHBondContact O-N 2.81Å; D305-R308 PolarHBondContact O-N 2.83Å; D305-R308 IonicContact OD1-NH1 3.28Å; D305-I309 WeakPolarHBondContact O-CG1 3.44Å; D305-I309 PolarHBondContact O-N 2.82Å; D305-I309 VanDerWaalsContact O-N 3.07Å |
| 306 | K | 98.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 30.8 Ų | 30.8 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 172.7 | -66 | -179.5 | -170.9 | -171.4 | 0 | 111.3 | L296 D298 V301 S302 T303 Y304 I309 I310 A332 I334 | L296-K306 HydrophobicContact CD2-CB 3.98Å; L296-K306 HydrophobicContact CD2-CG 4.19Å; L296-K306 VanDerWaalsContact O-CE 3.32Å; L296-K306 WeakPolarHBondContact O-CE 3.26Å; L296-K306 PolarHBondContact O-NZ 3.07Å; D298-K306 VanDerWaalsContact O-CE 3.22Å; D298-K306 WeakPolarHBondContact O-CE 3.2Å; D298-K306 PolarHBondContact O-NZ 2.63Å; V301-K306 HydrophobicContact CB-CG 4.38Å; V301-K306 HydrophobicContact CG1-CG 3.76Å; V301-K306 WeakPolarHBondContact O-CE 3.46Å; S302-K306 WeakPolarHBondContact O-CG 3.12Å; S302-K306 PolarHBondContact O-N 3.41Å; S302-K306 VanDerWaalsContact O-N 3.07Å; T303-K306 PolarHBondContact O-N 2.98Å; Y304-K306 PolarHBondContact O-N 2.92Å; K306-I309 PolarHBondContact O-N 2.75Å; K306-I310 VanDerWaalsContact O-CG1 3.28Å; K306-I310 WeakPolarHBondContact O-CG1 3.31Å; K306-I310 PolarHBondContact O-N 2.82Å; K306-A332 HydrophobicContact CB-CB 4.39Å; K306-A332 HydrophobicContact CD-CB 4.03Å; K306-A332 PolarHBondContact NZ-O 2.98Å; K306-I334 HydrophobicContact CB-CD1 4.39Å |
| 307 | I | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 176.4 | -70.2 | 167.7 | 0 | 0 | 0 | 111.1 | T303 Y304 D305 I309 I310 L311 I334 D338 I341 I342 L481 | T303-I307 HydrophobicContact CG2-CD1 4.07Å; T303-I307 WeakPolarHBondContact O-CG1 3.27Å; T303-I307 PolarHBondContact O-N 2.92Å; Y304-I307 HydrophobicContact CD1-CD1 4.44Å; Y304-I307 WeakPolarHBondContact O-CB 3.45Å; Y304-I307 PolarHBondContact O-N 2.81Å; Y304-I307 VanDerWaalsContact O-N 3.16Å; D305-I307 VanDerWaalsContact C-N 3.31Å; D305-I307 PolarHBondContact O-N 2.81Å; I307-I309 VanDerWaalsContact C-N 3.34Å; I307-I309 PolarHBondContact O-N 2.84Å; I307-I310 PolarHBondContact O-N 3.23Å; I307-L311 HydrophobicContact CG2-CD1 3.83Å; I307-L311 HydrophobicContact CG2-CG 4.23Å; I307-L311 WeakPolarHBondContact O-CB 3.44Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 2.61Å; I307-I334 HydrophobicContact CD1-CG2 4.18Å; I307-I334 HydrophobicContact CG1-CD1 3.89Å; I307-I334 HydrophobicContact CG1-CG2 4.41Å; I307-D338 HydrophobicContact CD1-CB 3.95Å; I307-D338 WeakPolarHBondContact CD1-O 3.37Å; I307-I341 HydrophobicContact CD1-CD1 3.99Å; I307-I341 HydrophobicContact CG2-CG2 4.01Å; I307-I342 HydrophobicContact CG1-CD1 4.42Å; I307-I342 HydrophobicContact CG1-CG1 4.48Å; I307-I342 HydrophobicContact CG2-CG1 3.96Å; I307-L481 HydrophobicContact CG2-CD2 3.86Å |
| 308 | R | 98.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 30.7 Ų | 30.7 | 2% | 0.019 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.6 | -47.7 | 175.4 | -68.5 | 163.1 | 73.8 | 157.7 | 10.7 | 111.2 | V145 L146 H147 D157 Y304 D305 I310 L311 L312 L481 | V145-R308 HydrophobicContact CB-CG 4.32Å; V145-R308 PolarHBondContact O-NE 3.28Å; V145-R308 PolarHBondContact O-NH2 3.05Å; L146-R308 PolarHBondContact O-NH2 3.49Å; L146-R308 VanDerWaalsContact O-NH2 3.14Å; H147-R308 PolarHBondContact CD2-NH2 3.48Å; H147-R308 PolarHBondContact CE1-NH1 3Å; H147-R308 VanDerWaalsContact CG-NH2 3.29Å; H147-R308 VanDerWaalsContact N-NH2 3.13Å; H147-R308 PolarHBondContact ND1-NH2 2.97Å; H147-R308 PolarHBondContact NE2-NH1 2.85Å; D157-R308 IonicContact OD1-CZ 2.9Å; D157-R308 IonicContact OD1-NH1 3.54Å; D157-R308 PolarHBondContact OD1-NH1 2.86Å; D157-R308 IonicContact OD1-NH2 3.54Å; D157-R308 IonicContact OD2-CZ 2.66Å; D157-R308 IonicContact OD2-NH1 2.86Å; D157-R308 PolarHBondContact OD2-NH1 2.85Å; D157-R308 IonicContact OD2-NH2 3.98Å; D157-R308 PolarHBondContact OD2-NH2 3.02Å; Y304-R308 VanDerWaalsContact O-CG 3.31Å; Y304-R308 WeakPolarHBondContact O-CG 3.4Å; Y304-R308 PolarHBondContact O-N 2.98Å; D305-R308 PolarHBondContact O-N 2.83Å; D305-R308 IonicContact OD1-NH1 3.28Å; R308-I310 PolarHBondContact O-N 2.94Å; R308-L311 PolarHBondContact O-N 3.07Å; R308-L312 VanDerWaalsContact O-CG 3.31Å; R308-L312 WeakPolarHBondContact O-CG 3.36Å; R308-L312 PolarHBondContact O-N 2.92Å; R308-L481 HydrophobicContact CG-CD1 4.11Å |
| 309 | I | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.5 | -44.1 | 177.5 | -66.3 | -72.8 | 0 | 0 | 0 | 112 | L267 V270 E271 L274 I292 I295 D305 K306 I307 L312 Y313 | L267-I309 HydrophobicContact CD2-CD1 4.24Å; L267-I309 HydrophobicContact CD2-CG1 4.05Å; V270-I309 HydrophobicContact CB-CD1 4.16Å; V270-I309 HydrophobicContact CG1-CD1 4.08Å; E271-I309 HydrophobicContact CG-CD1 3.52Å; L274-I309 HydrophobicContact CD1-CG2 4.23Å; I292-I309 HydrophobicContact CB-CG2 4.38Å; I292-I309 HydrophobicContact CG1-CG2 3.92Å; I292-I309 HydrophobicContact CG2-CG2 3.92Å; I295-I309 HydrophobicContact CG2-CG1 4.19Å; D305-I309 WeakPolarHBondContact O-CG1 3.44Å; D305-I309 PolarHBondContact O-N 2.82Å; D305-I309 VanDerWaalsContact O-N 3.07Å; K306-I309 PolarHBondContact O-N 2.75Å; I307-I309 VanDerWaalsContact C-N 3.34Å; I307-I309 PolarHBondContact O-N 2.84Å; I309-L312 PolarHBondContact O-N 2.91Å; I309-Y313 PolarHBondContact O-N 3.2Å |
| 310 | I | 98.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 177.7 | -69.4 | 166.6 | 0 | 0 | 0 | 110.5 | L296 K306 I307 R308 Y313 I314 L325 L328 A332 I334 I342 | L296-I310 HydrophobicContact CD1-CD1 4.45Å; L296-I310 HydrophobicContact CD1-CG1 4.33Å; L296-I310 HydrophobicContact CD2-CD1 4.06Å; L296-I310 HydrophobicContact CD2-CG1 3.95Å; K306-I310 VanDerWaalsContact O-CG1 3.28Å; K306-I310 WeakPolarHBondContact O-CG1 3.31Å; K306-I310 PolarHBondContact O-N 2.82Å; I307-I310 PolarHBondContact O-N 3.23Å; R308-I310 PolarHBondContact O-N 2.94Å; I310-Y313 WeakPolarHBondContact O-CB 3.5Å; I310-Y313 PolarHBondContact O-N 2.95Å; I310-I314 HydrophobicContact CG2-CD1 3.75Å; I310-I314 HydrophobicContact CG2-CG1 4.42Å; I310-I314 VanDerWaalsContact O-CG1 3.24Å; I310-I314 WeakPolarHBondContact O-CG1 3.31Å; I310-I314 PolarHBondContact O-N 3.35Å; I310-L325 HydrophobicContact CG2-CD1 4.28Å; I310-L328 HydrophobicContact CD1-CB 4.26Å; I310-L328 HydrophobicContact CG1-CB 4.37Å; I310-L328 HydrophobicContact CG2-CD1 4.32Å; I310-A332 HydrophobicContact CD1-CB 4.18Å; I310-I334 HydrophobicContact CD1-CD1 3.55Å; I310-I342 HydrophobicContact CB-CD1 4.46Å; I310-I342 HydrophobicContact CD1-CD1 4.36Å; I310-I342 HydrophobicContact CG2-CD1 3.91Å; I310-I342 HydrophobicContact CG2-CG2 4.43Å |
| 311 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.3 | -49 | 176.6 | -77 | 172.4 | 0 | 0 | 0 | 111.5 | V145 I307 R308 Y313 I314 F315 I342 M345 I352 L481 | V145-L311 HydrophobicContact CG1-CD1 4.32Å; I307-L311 HydrophobicContact CG2-CD1 3.83Å; I307-L311 HydrophobicContact CG2-CG 4.23Å; I307-L311 WeakPolarHBondContact O-CB 3.44Å; I307-L311 WeakPolarHBondContact O-CG 3.46Å; I307-L311 PolarHBondContact O-N 2.61Å; R308-L311 PolarHBondContact O-N 3.07Å; L311-Y313 VanDerWaalsContact C-N 3.29Å; L311-Y313 PolarHBondContact O-N 2.88Å; L311-I314 WeakPolarHBondContact O-CB 3.21Å; L311-I314 PolarHBondContact O-N 2.84Å; L311-F315 HydrophobicContact CB-CE1 4.46Å; L311-F315 HydrophobicContact CB-CE2 3.87Å; L311-F315 HydrophobicContact CB-CZ 3.77Å; L311-F315 HydrophobicContact CD2-CE1 4.19Å; L311-F315 HydrophobicContact CD2-CZ 3.89Å; L311-F315 HydrophobicContact CG-CZ 4.33Å; L311-F315 WeakPolarHBondContact O-CD1 3.43Å; L311-F315 VanDerWaalsContact O-CD2 3.3Å; L311-F315 WeakPolarHBondContact O-CD2 3.48Å; L311-F315 WeakPolarHBondContact O-CG 3.39Å; L311-F315 PolarHBondContact O-N 3.12Å; L311-I342 HydrophobicContact CD2-CG2 4.13Å; L311-M345 HydrophobicContact CD1-CE 4Å; L311-M345 HydrophobicContact CD2-CB 4.16Å; L311-M345 HydrophobicContact CD2-CE 4.32Å; L311-M345 HydrophobicContact CD2-CG 4.21Å; L311-I352 HydrophobicContact CD2-CD1 4.38Å; L311-L481 HydrophobicContact CD1-CD2 3.98Å |
| 312 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 177.2 | -71.2 | 167.5 | 0 | 0 | 0 | 112.3 | V142 V145 L146 E271 L274 R308 I309 F315 L316 | V142-L312 HydrophobicContact CB-CD2 4.41Å; V142-L312 HydrophobicContact CG1-CD2 3.77Å; V142-L312 HydrophobicContact CG2-CD2 4.49Å; V145-L312 HydrophobicContact CG2-CD2 3.81Å; V145-L312 HydrophobicContact CG2-CG 3.97Å; L146-L312 HydrophobicContact CD2-CD1 3.76Å; L146-L312 HydrophobicContact CD2-CD2 3.96Å; L146-L312 HydrophobicContact CG-CD2 4.26Å; E271-L312 HydrophobicContact CB-CD1 3.89Å; E271-L312 HydrophobicContact CG-CD1 3.6Å; L274-L312 HydrophobicContact CB-CB 3.95Å; L274-L312 HydrophobicContact CD1-CB 4.01Å; R308-L312 VanDerWaalsContact O-CG 3.31Å; R308-L312 WeakPolarHBondContact O-CG 3.36Å; R308-L312 PolarHBondContact O-N 2.92Å; I309-L312 PolarHBondContact O-N 2.91Å; L312-F315 HydrophobicContact CD2-CD2 4.37Å; L312-F315 PolarHBondContact O-N 3.46Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 PolarHBondContact O-N 3.16Å |
| 313 | Y | 98.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 29.7 Ų | 29.7 | 9% | 0.09 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.1 | -43.8 | 173.4 | 173.4 | -109.1 | 0 | 0 | 0 | 112.4 | L274 P288 M289 I292 I309 I310 L311 F315 L316 K317 I320 L328 | L274-Y313 HydrophobicContact CD2-CD2 4.37Å; P288-Y313 HydrophobicContact CB-CD2 4.15Å; P288-Y313 HydrophobicContact CB-CE2 4.16Å; M289-Y313 HydrophobicContact CE-CD1 3.98Å; M289-Y313 HydrophobicContact CE-CD2 3.64Å; M289-Y313 HydrophobicContact CE-CE1 3.8Å; M289-Y313 HydrophobicContact CE-CE2 3.45Å; M289-Y313 VanDerWaalsContact CE-CE2 3.45Å; M289-Y313 HydrophobicContact CE-CG 3.9Å; M289-Y313 HydrophobicContact SD-CE1 4.22Å; M289-Y313 HydrophobicContact SD-CE2 4.23Å; I292-Y313 HydrophobicContact CD1-CD2 3.47Å; I292-Y313 VanDerWaalsContact CD1-CD2 3.47Å; I292-Y313 HydrophobicContact CD1-CE2 4.32Å; I292-Y313 HydrophobicContact CD1-CG 3.69Å; I309-Y313 PolarHBondContact O-N 3.2Å; I310-Y313 WeakPolarHBondContact O-CB 3.5Å; I310-Y313 PolarHBondContact O-N 2.95Å; L311-Y313 VanDerWaalsContact C-N 3.29Å; L311-Y313 PolarHBondContact O-N 2.88Å; Y313-F315 VanDerWaalsContact C-N 3.35Å; Y313-L316 WeakPolarHBondContact O-CB 3.33Å; Y313-L316 PolarHBondContact O-N 2.8Å; Y313-K317 HydrophobicContact CD2-CG 4.27Å; Y313-K317 HydrophobicContact CE1-CG 4.31Å; Y313-K317 HydrophobicContact CE2-CD 4.27Å; Y313-K317 VanDerWaalsContact CE2-CE 3.46Å; Y313-K317 HydrophobicContact CE2-CG 3.76Å; Y313-K317 WeakPolarHBondContact O-CG 3.34Å; Y313-K317 PolarHBondContact O-N 3.37Å; Y313-I320 HydrophobicContact CD1-CG2 4.5Å; Y313-I320 HydrophobicContact CE1-CD1 4.46Å; Y313-I320 HydrophobicContact CE1-CG2 3.94Å; Y313-L328 HydrophobicContact CD1-CD1 3.78Å; Y313-L328 HydrophobicContact CE1-CD1 3.89Å |
| 314 | I | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 176.9 | -68 | 167.9 | 0 | 0 | 0 | 110.4 | I310 L311 K317 N318 G319 I320 L325 I342 I352 | I310-I314 HydrophobicContact CG2-CD1 3.75Å; I310-I314 HydrophobicContact CG2-CG1 4.42Å; I310-I314 VanDerWaalsContact O-CG1 3.24Å; I310-I314 WeakPolarHBondContact O-CG1 3.31Å; I310-I314 PolarHBondContact O-N 3.35Å; L311-I314 WeakPolarHBondContact O-CB 3.21Å; L311-I314 PolarHBondContact O-N 2.84Å; I314-K317 CarbonylContact O-C 3.55Å; I314-K317 PolarHBondContact O-N 3.09Å; I314-N318 PolarHBondContact O-N 2.84Å; I314-G319 PolarHBondContact O-N 3.21Å; I314-I320 HydrophobicContact CD1-CD1 4.07Å; I314-I320 HydrophobicContact CD1-CG1 4.45Å; I314-I320 HydrophobicContact CG1-CD1 3.69Å; I314-I320 HydrophobicContact CG1-CG1 3.98Å; I314-I320 HydrophobicContact CG1-CG2 4.45Å; I314-L325 HydrophobicContact CD1-CD1 4.06Å; I314-I342 HydrophobicContact CD1-CG2 3.58Å; I314-I352 HydrophobicContact CD1-CG2 4.19Å; I314-I352 HydrophobicContact CG2-CB 4.48Å; I314-I352 HydrophobicContact CG2-CD1 3.89Å; I314-I352 HydrophobicContact CG2-CG2 4.37Å |
| 315 | F | 95.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 6% | 0.061 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65 | -39.8 | 176.5 | -54.3 | -24.3 | 0 | 0 | 0 | 111.7 | P141 V142 V145 L311 L312 Y313 K317 N318 M345 V350 I352 K363 | P141-F315 HydrophobicContact CB-CD1 4.49Å; P141-F315 HydrophobicContact CB-CD2 4.32Å; P141-F315 HydrophobicContact CB-CE1 4.04Å; P141-F315 HydrophobicContact CB-CE2 3.83Å; P141-F315 HydrophobicContact CB-CZ 3.67Å; P141-F315 HydrophobicContact CG-CD1 4.18Å; P141-F315 HydrophobicContact CG-CD2 4.22Å; P141-F315 HydrophobicContact CG-CE1 4.21Å; P141-F315 HydrophobicContact CG-CE2 4.23Å; P141-F315 HydrophobicContact CG-CG 4.21Å; P141-F315 HydrophobicContact CG-CZ 4.22Å; P141-F315 WeakPolarHBondContact O-CE2 3.29Å; V142-F315 HydrophobicContact CG2-CB 4.1Å; V142-F315 HydrophobicContact CG2-CD2 3.83Å; V142-F315 HydrophobicContact CG2-CG 4.34Å; V145-F315 HydrophobicContact CG2-CE2 4.09Å; L311-F315 HydrophobicContact CB-CE1 4.46Å; L311-F315 HydrophobicContact CB-CE2 3.87Å; L311-F315 HydrophobicContact CB-CZ 3.77Å; L311-F315 HydrophobicContact CD2-CE1 4.19Å; L311-F315 HydrophobicContact CD2-CZ 3.89Å; L311-F315 HydrophobicContact CG-CZ 4.33Å; L311-F315 WeakPolarHBondContact O-CD1 3.43Å; L311-F315 VanDerWaalsContact O-CD2 3.3Å; L311-F315 WeakPolarHBondContact O-CD2 3.48Å; L311-F315 WeakPolarHBondContact O-CG 3.39Å; L311-F315 PolarHBondContact O-N 3.12Å; L312-F315 HydrophobicContact CD2-CD2 4.37Å; L312-F315 PolarHBondContact O-N 3.46Å; Y313-F315 VanDerWaalsContact C-N 3.35Å; F315-K317 VanDerWaalsContact C-N 3.32Å; F315-K317 PolarHBondContact O-N 2.96Å; F315-N318 PolarHBondContact O-N 3.41Å; F315-M345 HydrophobicContact CE1-CG 4.11Å; F315-M345 HydrophobicContact CZ-CE 4.19Å; F315-M345 HydrophobicContact CZ-CG 4.1Å; F315-M345 HydrophobicContact CZ-SD 4.48Å; F315-V350 HydrophobicContact CD1-CG1 3.82Å; F315-V350 HydrophobicContact CE1-CG1 3.55Å; F315-I352 HydrophobicContact CE1-CD1 3.96Å; F315-K363 VanDerWaalsContact O-CE 3.25Å; F315-K363 WeakPolarHBondContact O-CE 3.34Å; F315-K363 PolarHBondContact O-NZ 2.81Å |
| 316 | L | 94.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 31.7 Ų | 31.7 | 21% | 0.209 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.9 | -46.2 | 172.8 | 176.8 | 61.4 | 0 | 0 | 0 | 111 | L274 P288 L312 Y313 N318 K363 | L274-L316 HydrophobicContact CD2-CD2 3.79Å; P288-L316 HydrophobicContact CB-CD2 4.44Å; P288-L316 HydrophobicContact CG-CD2 3.97Å; L312-L316 WeakPolarHBondContact O-CB 3.45Å; L312-L316 PolarHBondContact O-N 3.16Å; Y313-L316 WeakPolarHBondContact O-CB 3.33Å; Y313-L316 PolarHBondContact O-N 2.8Å; L316-N318 VanDerWaalsContact C-N 3.33Å; L316-K363 PolarHBondContact O-NZ 3.32Å |
| 317 | K | 92.8 | Very high | 96.3 | Very high | 78 Ų | 78 | 35.1 Ų | 35.1 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -78.9 | -11.2 | -179.1 | -65.9 | -61.9 | -177 | -176.6 | 0 | 114.7 | Y313 I314 F315 I320 | Y313-K317 HydrophobicContact CD2-CG 4.27Å; Y313-K317 HydrophobicContact CE1-CG 4.31Å; Y313-K317 HydrophobicContact CE2-CD 4.27Å; Y313-K317 VanDerWaalsContact CE2-CE 3.46Å; Y313-K317 HydrophobicContact CE2-CG 3.76Å; Y313-K317 WeakPolarHBondContact O-CG 3.34Å; Y313-K317 PolarHBondContact O-N 3.37Å; I314-K317 CarbonylContact O-C 3.55Å; I314-K317 PolarHBondContact O-N 3.09Å; F315-K317 VanDerWaalsContact C-N 3.32Å; F315-K317 PolarHBondContact O-N 2.96Å; K317-I320 HydrophobicContact CB-CG2 3.86Å; K317-I320 HydrophobicContact CG-CG2 4.18Å |
| 318 | N | 92 | Very high | 96.2 | Very high | 30 Ų | 30 | 35.5 Ų | 35.5 | 16% | 0.16 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.1 | 51.6 | -173 | -161.4 | 34.9 | 0 | 0 | 0 | 111.4 | I314 F315 L316 P351 R360 G361 | I314-N318 PolarHBondContact O-N 2.84Å; F315-N318 PolarHBondContact O-N 3.41Å; L316-N318 VanDerWaalsContact C-N 3.33Å; N318-P351 WeakPolarHBondContact OD1-CG 3.44Å; N318-R360 WeakPolarHBondContact ND2-CA 3.48Å; N318-R360 WeakPolarHBondContact ND2-CB 3.36Å; N318-G361 PolarHBondContact ND2-N 2.72Å; N318-G361 PolarHBondContact ND2-O 3.45Å |
| 319 | G | 93.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 92.3 | 144.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I314 P351 I352 T354 R360 | I314-G319 PolarHBondContact O-N 3.21Å; G319-P351 WeakPolarHBondContact CA-O 3.23Å; G319-P351 PolarHBondContact N-O 3.09Å; G319-I352 VanDerWaalsContact CA-O 3.3Å; G319-I352 WeakPolarHBondContact CA-O 3.31Å; G319-T354 VanDerWaalsContact C-OG1 3.25Å; G319-T354 PolarHBondContact O-OG1 3.01Å; G319-R360 PolarHBondContact O-NH2 3.03Å |
| 320 | I | 94.6 | Very high | 96 | Very high | 6 Ų | 6 | 43.5 Ų | 43.5 | 3% | 0.031 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -125.8 | 168.3 | 179.1 | 63.9 | 175.2 | 0 | 0 | 0 | 111 | Y313 I314 K317 N324 L325 L328 I352 V353 T354 | Y313-I320 HydrophobicContact CD1-CG2 4.5Å; Y313-I320 HydrophobicContact CE1-CD1 4.46Å; Y313-I320 HydrophobicContact CE1-CG2 3.94Å; I314-I320 HydrophobicContact CD1-CD1 4.07Å; I314-I320 HydrophobicContact CD1-CG1 4.45Å; I314-I320 HydrophobicContact CG1-CD1 3.69Å; I314-I320 HydrophobicContact CG1-CG1 3.98Å; I314-I320 HydrophobicContact CG1-CG2 4.45Å; K317-I320 HydrophobicContact CB-CG2 3.86Å; K317-I320 HydrophobicContact CG-CG2 4.18Å; I320-N324 HydrophobicContact CD1-CB 4.46Å; I320-L325 HydrophobicContact CD1-CB 3.81Å; I320-L325 HydrophobicContact CD1-CD1 4.31Å; I320-L325 HydrophobicContact CG1-CB 4.23Å; I320-L328 HydrophobicContact CD1-CD1 3.89Å; I320-I352 PolarHBondContact N-O 3.28Å; I320-V353 CarbonylContact O-C 3.55Å; I320-V353 VanDerWaalsContact O-CA 3.3Å; I320-V353 WeakPolarHBondContact O-CA 3.32Å; I320-T354 PolarHBondContact O-N 3.07Å |
| 321 | T | 95 | Very high | 95.8 | Very high | 52 Ų | 52 | 47.9 Ų | 47.9 | 32% | 0.319 | 23% | 0.232 | S | C | . | . | trans | -74.5 | 153.6 | 174 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | E323 N324 L325 | T321-E323 VanDerWaalsContact C-N 3.28Å; T321-E323 PolarHBondContact O-N 3.35Å; T321-N324 PolarHBondContact O-N 3.31Å; T321-N324 VanDerWaalsContact O-N 3.11Å; T321-N324 WeakPolarHBondContact OG1-CB 3.5Å; T321-N324 VanDerWaalsContact OG1-CG 3.32Å; T321-N324 PolarHBondContact OG1-N 3.09Å; T321-N324 PolarHBondContact OG1-ND2 3.34Å; T321-N324 VanDerWaalsContact OG1-ND2 3.09Å; T321-L325 PolarHBondContact O-N 3.16Å | ||
| 322 | E | 95.3 | Very high | 95.7 | Very high | 116 Ų | 116 | 48 Ų | 48 | 54% | 0.542 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -57.5 | -40.7 | 177.4 | -169.5 | 175.2 | -175.8 | 0 | 0 | 112.1 | N324 L325 N326 V353 | E322-N324 VanDerWaalsContact C-N 3.32Å; E322-N324 PolarHBondContact O-N 3.22Å; E322-L325 PolarHBondContact O-N 2.96Å; E322-N326 WeakPolarHBondContact O-CB 3.3Å; E322-N326 PolarHBondContact O-N 2.99Å; E322-N326 PolarHBondContact O-ND2 3.27Å; E322-V353 HydrophobicContact CB-CG1 3.96Å |
| 323 | E | 95.7 | Very high | 95.6 | Very high | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.1 | -43 | 175.8 | -170.6 | -167.1 | 157.9 | 0 | 0 | 112.3 | T321 K327 | T321-E323 VanDerWaalsContact C-N 3.28Å; T321-E323 PolarHBondContact O-N 3.35Å; E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.41Å; E323-K327 VanDerWaalsContact O-N 3.13Å; E323-K327 WeakPolarHBondContact OE1-CE 3.3Å; E323-K327 IonicContact OE1-NZ 3.53Å; E323-K327 PolarHBondContact OE1-NZ 2.95Å |
| 324 | N | 95.6 | Very high | 95.6 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -71.3 | -37.1 | 179.7 | -75 | -24.3 | 0 | 0 | 0 | 111.5 | I320 T321 E322 K327 L328 | I320-N324 HydrophobicContact CD1-CB 4.46Å; T321-N324 PolarHBondContact O-N 3.31Å; T321-N324 VanDerWaalsContact O-N 3.11Å; T321-N324 WeakPolarHBondContact OG1-CB 3.5Å; T321-N324 VanDerWaalsContact OG1-CG 3.32Å; T321-N324 PolarHBondContact OG1-N 3.09Å; T321-N324 PolarHBondContact OG1-ND2 3.34Å; T321-N324 VanDerWaalsContact OG1-ND2 3.09Å; E322-N324 VanDerWaalsContact C-N 3.32Å; E322-N324 PolarHBondContact O-N 3.22Å; N324-K327 PolarHBondContact O-N 2.9Å; N324-L328 WeakPolarHBondContact O-CG 2.87Å; N324-L328 PolarHBondContact O-N 2.98Å; N324-L328 VanDerWaalsContact O-N 3.13Å |
| 325 | L | 96.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.2 | 177.3 | 56.3 | 0 | 0 | 0 | 110.9 | I310 I314 I320 T321 E322 K327 L328 I329 I342 T343 I352 V353 | I310-L325 HydrophobicContact CG2-CD1 4.28Å; I314-L325 HydrophobicContact CD1-CD1 4.06Å; I320-L325 HydrophobicContact CD1-CB 3.81Å; I320-L325 HydrophobicContact CD1-CD1 4.31Å; I320-L325 HydrophobicContact CG1-CB 4.23Å; T321-L325 PolarHBondContact O-N 3.16Å; E322-L325 PolarHBondContact O-N 2.96Å; L325-K327 VanDerWaalsContact C-N 3.3Å; L325-K327 PolarHBondContact O-N 3.31Å; L325-L328 WeakPolarHBondContact O-CB 3.28Å; L325-L328 PolarHBondContact O-N 3.34Å; L325-L328 VanDerWaalsContact O-N 3.08Å; L325-I329 HydrophobicContact CD1-CD1 3.88Å; L325-I329 HydrophobicContact CD1-CG1 4.18Å; L325-I329 HydrophobicContact CG-CD1 3.8Å; L325-I329 WeakPolarHBondContact O-CG1 3.43Å; L325-I329 PolarHBondContact O-N 3.43Å; L325-I342 HydrophobicContact CD1-CD1 4.39Å; L325-I342 HydrophobicContact CD1-CG2 3.8Å; L325-I342 HydrophobicContact CD2-CG2 4.42Å; L325-T343 HydrophobicContact CD2-CG2 4.15Å; L325-I352 HydrophobicContact CD2-CG2 4.43Å; L325-V353 HydrophobicContact CD2-CG2 3.77Å |
| 326 | N | 96.6 | Very high | 95.4 | Very high | 85 Ų | 85 | 62 Ų | 62 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 179 | -72.1 | -22 | 0 | 0 | 0 | 112.3 | E322 I329 Q330 | E322-N326 WeakPolarHBondContact O-CB 3.3Å; E322-N326 PolarHBondContact O-N 2.99Å; E322-N326 PolarHBondContact O-ND2 3.27Å; N326-I329 PolarHBondContact O-N 3.31Å; N326-Q330 VanDerWaalsContact O-CB 3.3Å; N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 PolarHBondContact O-N 2.97Å |
| 327 | K | 96.6 | Very high | 95.3 | Very high | 88 Ų | 88 | 65.7 Ų | 65.7 | 38% | 0.383 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 173.5 | -73.5 | 173.7 | -173.5 | 166.3 | 0 | 112.3 | E323 N324 L325 Q330 H331 | E323-K327 WeakPolarHBondContact O-CG 3.47Å; E323-K327 PolarHBondContact O-N 3.41Å; E323-K327 VanDerWaalsContact O-N 3.13Å; E323-K327 WeakPolarHBondContact OE1-CE 3.3Å; E323-K327 IonicContact OE1-NZ 3.53Å; E323-K327 PolarHBondContact OE1-NZ 2.95Å; N324-K327 PolarHBondContact O-N 2.9Å; L325-K327 VanDerWaalsContact C-N 3.3Å; L325-K327 PolarHBondContact O-N 3.31Å; K327-Q330 PolarHBondContact O-N 2.99Å; K327-H331 WeakPolarHBondContact O-CB 3.28Å; K327-H331 PolarHBondContact O-CD2 2.88Å; K327-H331 PolarHBondContact O-N 3.27Å |
| 328 | L | 97.3 | Very high | 95.5 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -63.3 | -46.2 | 177.4 | -69.4 | 169.5 | 0 | 0 | 0 | 111.4 | M289 L296 I310 Y313 I320 N324 L325 Q330 H331 A332 | M289-L328 HydrophobicContact CE-CD2 4.08Å; M289-L328 HydrophobicContact SD-CD2 4.1Å; L296-L328 HydrophobicContact CD1-CB 4.46Å; L296-L328 HydrophobicContact CD1-CD2 3.74Å; I310-L328 HydrophobicContact CD1-CB 4.26Å; I310-L328 HydrophobicContact CG1-CB 4.37Å; I310-L328 HydrophobicContact CG2-CD1 4.32Å; Y313-L328 HydrophobicContact CD1-CD1 3.78Å; Y313-L328 HydrophobicContact CE1-CD1 3.89Å; I320-L328 HydrophobicContact CD1-CD1 3.89Å; N324-L328 WeakPolarHBondContact O-CG 2.87Å; N324-L328 PolarHBondContact O-N 2.98Å; N324-L328 VanDerWaalsContact O-N 3.13Å; L325-L328 WeakPolarHBondContact O-CB 3.28Å; L325-L328 PolarHBondContact O-N 3.34Å; L325-L328 VanDerWaalsContact O-N 3.08Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.07Å; L328-H331 PolarHBondContact O-N 3.33Å; L328-A332 VanDerWaalsContact O-CB 3.24Å; L328-A332 WeakPolarHBondContact O-CB 3.41Å; L328-A332 PolarHBondContact O-N 2.66Å |
| 329 | I | 97.5 | Very high | 95.6 | Very high | 27 Ų | 27 | 62.3 Ų | 62.3 | 14% | 0.138 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.7 | -68.4 | 164.9 | 0 | 0 | 0 | 110.5 | L325 N326 A332 Q333 I334 I342 | L325-I329 HydrophobicContact CD1-CD1 3.88Å; L325-I329 HydrophobicContact CD1-CG1 4.18Å; L325-I329 HydrophobicContact CG-CD1 3.8Å; L325-I329 WeakPolarHBondContact O-CG1 3.43Å; L325-I329 PolarHBondContact O-N 3.43Å; N326-I329 PolarHBondContact O-N 3.31Å; I329-A332 PolarHBondContact O-N 2.88Å; I329-Q333 PolarHBondContact O-N 3.19Å; I329-I334 HydrophobicContact CG2-CB 4.36Å; I329-I334 PolarHBondContact O-N 3.28Å; I329-I342 HydrophobicContact CD1-CD1 4.46Å; I329-I342 HydrophobicContact CG1-CD1 4.13Å |
| 330 | Q | 96.1 | Very high | 95.7 | Very high | 146 Ų | 146 | 66.2 Ų | 66.2 | 68% | 0.682 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -63.1 | -46 | 178.9 | -173.5 | -178.1 | 31.6 | 0 | 0 | 112.2 | N326 K327 L328 A332 Q333 | N326-Q330 VanDerWaalsContact O-CB 3.3Å; N326-Q330 WeakPolarHBondContact O-CB 3.42Å; N326-Q330 PolarHBondContact O-N 2.97Å; K327-Q330 PolarHBondContact O-N 2.99Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.07Å; Q330-A332 VanDerWaalsContact C-N 3.3Å; Q330-A332 PolarHBondContact O-N 2.82Å; Q330-Q333 PolarHBondContact O-N 3.24Å |
| 331 | H | 93.8 | Very high | 95.9 | Very high | 91 Ų | 91 | 66 Ų | 66 | 42% | 0.421 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -35.8 | 177.2 | -76.3 | -53 | 0 | 0 | 0 | 112.5 | K327 L328 Q333 | K327-H331 WeakPolarHBondContact O-CB 3.28Å; K327-H331 PolarHBondContact O-CD2 2.88Å; K327-H331 PolarHBondContact O-N 3.27Å; L328-H331 PolarHBondContact O-N 3.33Å; H331-Q333 VanDerWaalsContact C-N 3.28Å; H331-Q333 PolarHBondContact O-N 3.39Å |
| 332 | A | 96.5 | Very high | 96 | Very high | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.017 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -76.7 | -13.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L296 K306 I310 L328 I329 Q330 I334 | L296-A332 HydrophobicContact CB-CB 4.07Å; L296-A332 HydrophobicContact CD1-CB 4.41Å; L296-A332 HydrophobicContact CD2-CB 4.04Å; L296-A332 HydrophobicContact CG-CB 4.37Å; K306-A332 HydrophobicContact CB-CB 4.39Å; K306-A332 HydrophobicContact CD-CB 4.03Å; K306-A332 PolarHBondContact NZ-O 2.98Å; I310-A332 HydrophobicContact CD1-CB 4.18Å; L328-A332 VanDerWaalsContact O-CB 3.24Å; L328-A332 WeakPolarHBondContact O-CB 3.41Å; L328-A332 PolarHBondContact O-N 2.66Å; I329-A332 PolarHBondContact O-N 2.88Å; Q330-A332 VanDerWaalsContact C-N 3.3Å; Q330-A332 PolarHBondContact O-N 2.82Å; A332-I334 HydrophobicContact CB-CD1 3.53Å; A332-I334 HydrophobicContact CB-CG1 3.6Å; A332-I334 PolarHBondContact O-N 3.19Å |
| 333 | Q | 97 | Very high | 96.1 | Very high | 171 Ų | 171 | 60.6 Ų | 60.6 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 39.5 | -174.3 | -58.7 | -175 | -40.2 | 0 | 0 | 112.8 | I329 Q330 H331 | I329-Q333 PolarHBondContact O-N 3.19Å; Q330-Q333 PolarHBondContact O-N 3.24Å; H331-Q333 VanDerWaalsContact C-N 3.28Å; H331-Q333 PolarHBondContact O-N 3.39Å |
| 334 | I | 96.9 | Very high | 96.2 | Very high | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.067 | 28% | 0.281 | C | S | . | . | trans | -75.3 | 132.3 | -178.6 | -64.7 | 163.9 | 0 | 0 | 0 | 109.4 | T303 K306 I307 I310 I329 A332 D338 | T303-I334 HydrophobicContact CG2-CB 4.45Å; T303-I334 HydrophobicContact CG2-CG1 4.23Å; T303-I334 HydrophobicContact CG2-CG2 3.91Å; K306-I334 HydrophobicContact CB-CD1 4.39Å; I307-I334 HydrophobicContact CD1-CG2 4.18Å; I307-I334 HydrophobicContact CG1-CD1 3.89Å; I307-I334 HydrophobicContact CG1-CG2 4.41Å; I310-I334 HydrophobicContact CD1-CD1 3.55Å; I329-I334 HydrophobicContact CG2-CB 4.36Å; I329-I334 PolarHBondContact O-N 3.28Å; A332-I334 HydrophobicContact CB-CD1 3.53Å; A332-I334 HydrophobicContact CB-CG1 3.6Å; A332-I334 PolarHBondContact O-N 3.19Å; I334-D338 HydrophobicContact CG2-CB 3.7Å | ||
| 335 | P | 96.4 | Very high | 96.2 | Very high | 46 Ų | 46 | 51.6 Ų | 51.6 | 30% | 0.299 | 26% | 0.264 | S | S | . | . | trans | -56.9 | 146.6 | 173.6 | -26.2 | 36 | 0 | 0 | 0 | 112.5 | E337 D338 S339 | P335-E337 VanDerWaalsContact C-N 3.28Å; P335-E337 HydrophobicContact CB-CG 3.87Å; P335-E337 PolarHBondContact O-N 3.14Å; P335-D338 HydrophobicContact CB-CB 4.49Å; P335-D338 PolarHBondContact O-N 3.37Å; P335-S339 PolarHBondContact O-N 3.37Å | ||
| 336 | P | 93.1 | Very high | 96.2 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 67% | 0.669 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -53.5 | -43.8 | -179.9 | -28 | 35.5 | 0 | 0 | 0 | 113.5 | D338 S339 E340 | P336-D338 VanDerWaalsContact C-N 3.25Å; P336-D338 PolarHBondContact O-N 3.21Å; P336-S339 PolarHBondContact O-N 3.33Å; P336-S339 VanDerWaalsContact O-N 3.14Å; P336-S339 PolarHBondContact O-OG 2.95Å; P336-E340 PolarHBondContact O-N 3.14Å |
| 337 | E | 92.1 | Very high | 96.1 | Very high | 118 Ų | 118 | 52.9 Ų | 52.9 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -58.7 | -30.9 | 177 | 59.9 | -174.1 | -110.1 | 0 | 0 | 114.4 | P335 K485 | P335-E337 VanDerWaalsContact C-N 3.28Å; P335-E337 HydrophobicContact CB-CG 3.87Å; P335-E337 PolarHBondContact O-N 3.14Å; E337-K485 IonicContact OE1-NZ 3.06Å; E337-K485 PolarHBondContact OE1-NZ 3.16Å |
| 338 | D | 96.3 | Very high | 96.1 | Very high | 13 Ų | 13 | 48.9 Ų | 48.9 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -89.8 | -27.6 | 178.7 | -68.6 | -33.3 | 0 | 0 | 0 | 110.9 | T303 I307 I334 P335 P336 E340 I341 K485 | T303-D338 HydrophobicContact CG2-CB 3.97Å; I307-D338 HydrophobicContact CD1-CB 3.95Å; I307-D338 WeakPolarHBondContact CD1-O 3.37Å; I334-D338 HydrophobicContact CG2-CB 3.7Å; P335-D338 HydrophobicContact CB-CB 4.49Å; P335-D338 PolarHBondContact O-N 3.37Å; P336-D338 VanDerWaalsContact C-N 3.25Å; P336-D338 PolarHBondContact O-N 3.21Å; D338-E340 PolarHBondContact O-N 3Å; D338-I341 HydrophobicContact CB-CD1 4.34Å; D338-I341 WeakPolarHBondContact O-CB 3.38Å; D338-I341 WeakPolarHBondContact O-CD1 3.35Å; D338-I341 VanDerWaalsContact O-CG1 3.29Å; D338-I341 WeakPolarHBondContact O-CG1 3.4Å; D338-I341 PolarHBondContact O-N 2.69Å; D338-I341 VanDerWaalsContact O-N 3.14Å; D338-K485 WeakPolarHBondContact OD1-CD 3.41Å; D338-K485 WeakPolarHBondContact OD1-CE 3.33Å; D338-K485 IonicContact OD1-NZ 3.74Å; D338-K485 PolarHBondContact OD1-NZ 3.36Å |
| 339 | S | 95.6 | Very high | 95.9 | Very high | 24 Ų | 24 | 51.3 Ų | 51.3 | 17% | 0.168 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.6 | -29.2 | 177.8 | 75.8 | 0 | 0 | 0 | 0 | 112.6 | P335 P336 I341 I342 | P335-S339 PolarHBondContact O-N 3.37Å; P336-S339 PolarHBondContact O-N 3.33Å; P336-S339 VanDerWaalsContact O-N 3.14Å; P336-S339 PolarHBondContact O-OG 2.95Å; S339-I341 PolarHBondContact O-N 3.22Å; S339-I342 WeakPolarHBondContact O-CB 3.26Å; S339-I342 PolarHBondContact O-N 3.09Å; S339-I342 VanDerWaalsContact O-N 3.12Å |
| 340 | E | 95.3 | Very high | 95.7 | Very high | 82 Ų | 82 | 50.4 Ų | 50.4 | 38% | 0.383 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.2 | -26.5 | 175 | -70.5 | -167.8 | -160.7 | 0 | 0 | 112.9 | P336 D338 I342 T343 N344 N488 | P336-E340 PolarHBondContact O-N 3.14Å; D338-E340 PolarHBondContact O-N 3Å; E340-I342 PolarHBondContact O-N 3.38Å; E340-T343 WeakPolarHBondContact CA-OG1 3.2Å; E340-T343 PolarHBondContact O-N 3.04Å; E340-T343 PolarHBondContact O-OG1 2.69Å; E340-N344 VanDerWaalsContact O-CB 3.26Å; E340-N344 WeakPolarHBondContact O-CB 3.44Å; E340-N344 PolarHBondContact O-N 2.79Å; E340-N344 PolarHBondContact O-ND2 3.26Å; E340-N344 PolarHBondContact O-OD1 3.23Å; E340-N488 PolarHBondContact OE2-ND2 2.91Å; E340-N488 VanDerWaalsContact OE2-ND2 3.12Å |
| 341 | I | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.3 | -40.5 | 175.2 | -63.7 | 167.9 | 0 | 0 | 0 | 110.5 | Y304 I307 D338 S339 M345 L481 L484 K485 | Y304-I341 HydrophobicContact CE1-CD1 4.14Å; I307-I341 HydrophobicContact CD1-CD1 3.99Å; I307-I341 HydrophobicContact CG2-CG2 4.01Å; D338-I341 HydrophobicContact CB-CD1 4.34Å; D338-I341 WeakPolarHBondContact O-CB 3.38Å; D338-I341 WeakPolarHBondContact O-CD1 3.35Å; D338-I341 VanDerWaalsContact O-CG1 3.29Å; D338-I341 WeakPolarHBondContact O-CG1 3.4Å; D338-I341 PolarHBondContact O-N 2.69Å; D338-I341 VanDerWaalsContact O-N 3.14Å; S339-I341 PolarHBondContact O-N 3.22Å; I341-M345 PolarHBondContact O-N 3.42Å; I341-L481 HydrophobicContact CD1-CB 4.42Å; I341-L481 HydrophobicContact CG2-CB 4.25Å; I341-L481 HydrophobicContact CG2-CD2 3.53Å; I341-L481 HydrophobicContact CG2-CG 4.47Å; I341-L484 HydrophobicContact CB-CB 4.5Å; I341-L484 HydrophobicContact CG2-CB 3.85Å; I341-L484 HydrophobicContact CG2-CD1 4.09Å; I341-K485 HydrophobicContact CD1-CB 3.94Å; I341-K485 HydrophobicContact CD1-CD 4.27Å; I341-K485 HydrophobicContact CD1-CG 4.26Å; I341-K485 HydrophobicContact CG1-CB 3.69Å; I341-K485 HydrophobicContact CG1-CG 4.15Å |
| 342 | I | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.6 | -46.7 | -177.9 | -59.3 | 162.6 | 0 | 0 | 0 | 110.4 | I307 I310 L311 I314 L325 I329 S339 E340 M345 I352 | I307-I342 HydrophobicContact CG1-CD1 4.42Å; I307-I342 HydrophobicContact CG1-CG1 4.48Å; I307-I342 HydrophobicContact CG2-CG1 3.96Å; I310-I342 HydrophobicContact CB-CD1 4.46Å; I310-I342 HydrophobicContact CD1-CD1 4.36Å; I310-I342 HydrophobicContact CG2-CD1 3.91Å; I310-I342 HydrophobicContact CG2-CG2 4.43Å; L311-I342 HydrophobicContact CD2-CG2 4.13Å; I314-I342 HydrophobicContact CD1-CG2 3.58Å; L325-I342 HydrophobicContact CD1-CD1 4.39Å; L325-I342 HydrophobicContact CD1-CG2 3.8Å; L325-I342 HydrophobicContact CD2-CG2 4.42Å; I329-I342 HydrophobicContact CD1-CD1 4.46Å; I329-I342 HydrophobicContact CG1-CD1 4.13Å; S339-I342 WeakPolarHBondContact O-CB 3.26Å; S339-I342 PolarHBondContact O-N 3.09Å; S339-I342 VanDerWaalsContact O-N 3.12Å; E340-I342 PolarHBondContact O-N 3.38Å; I342-M345 WeakPolarHBondContact O-CB 3.29Å; I342-I352 HydrophobicContact CG2-CG2 3.97Å; I342-I352 WeakPolarHBondContact O-CG2 3.48Å |
| 343 | T | 96.4 | Very high | 95.6 | Very high | 56 Ų | 56 | 44.3 Ų | 44.3 | 34% | 0.344 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -71.6 | -34.5 | -179.9 | 48.7 | 0 | 0 | 0 | 0 | 112.2 | L325 E340 M345 A346 | L325-T343 HydrophobicContact CD2-CG2 4.15Å; E340-T343 WeakPolarHBondContact CA-OG1 3.2Å; E340-T343 PolarHBondContact O-N 3.04Å; E340-T343 PolarHBondContact O-OG1 2.69Å; T343-M345 PolarHBondContact O-N 2.91Å; T343-A346 WeakPolarHBondContact O-CB 3.17Å; T343-A346 PolarHBondContact O-N 3.47Å |
| 344 | N | 97 | Very high | 95.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.3 | -22.7 | -178.4 | -67.7 | -4.3 | 0 | 0 | 0 | 112.5 | E340 A346 H347 L484 M487 N488 | E340-N344 VanDerWaalsContact O-CB 3.26Å; E340-N344 WeakPolarHBondContact O-CB 3.44Å; E340-N344 PolarHBondContact O-N 2.79Å; E340-N344 PolarHBondContact O-ND2 3.26Å; E340-N344 PolarHBondContact O-OD1 3.23Å; N344-A346 PolarHBondContact O-N 3.12Å; N344-H347 WeakPolarHBondContact O-CB 3.45Å; N344-H347 PolarHBondContact O-CD2 2.98Å; N344-H347 PolarHBondContact O-N 3.23Å; N344-L484 HydrophobicContact CB-CD2 4.4Å; N344-L484 PolarHBondContact ND2-O 3.42Å; N344-M487 HydrophobicContact CB-CB 4.25Å; N344-M487 HydrophobicContact CB-SD 4.11Å; N344-N488 VanDerWaalsContact CG-ND2 3.35Å; N344-N488 PolarHBondContact ND2-ND2 3.07Å; N344-N488 PolarHBondContact OD1-ND2 3.37Å; N344-N488 PolarHBondContact OD1-OD1 3.24Å |
| 345 | M | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 42.8 Ų | 42.8 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | G | 310 helix | trans | -55.4 | -24.3 | 169.4 | -172.3 | 64.4 | 77.8 | 0 | 0 | 112.5 | L311 F315 I341 I342 T343 H347 L348 V350 I352 L484 | L311-M345 HydrophobicContact CD1-CE 4Å; L311-M345 HydrophobicContact CD2-CB 4.16Å; L311-M345 HydrophobicContact CD2-CE 4.32Å; L311-M345 HydrophobicContact CD2-CG 4.21Å; F315-M345 HydrophobicContact CE1-CG 4.11Å; F315-M345 HydrophobicContact CZ-CE 4.19Å; F315-M345 HydrophobicContact CZ-CG 4.1Å; F315-M345 HydrophobicContact CZ-SD 4.48Å; I341-M345 PolarHBondContact O-N 3.42Å; I342-M345 WeakPolarHBondContact O-CB 3.29Å; T343-M345 PolarHBondContact O-N 2.91Å; M345-H347 PolarHBondContact O-N 2.96Å; M345-L348 PolarHBondContact O-N 3.02Å; M345-L348 HydrophobicContact SD-CD2 3.93Å; M345-V350 HydrophobicContact CG-CB 4.09Å; M345-V350 HydrophobicContact CG-CG1 4.28Å; M345-V350 HydrophobicContact CG-CG2 4.32Å; M345-V350 HydrophobicContact SD-CG2 4.39Å; M345-I352 HydrophobicContact CB-CD1 3.79Å; M345-I352 HydrophobicContact CB-CG1 4.02Å; M345-I352 HydrophobicContact CG-CD1 3.77Å; M345-I352 HydrophobicContact CG-CG1 4.41Å; M345-L484 HydrophobicContact CE-CD1 3.42Å; M345-L484 VanDerWaalsContact CE-CD1 3.42Å; M345-L484 HydrophobicContact SD-CD1 4.26Å |
| 346 | A | 95.9 | Very high | 92.8 | Very high | 47 Ų | 47 | 42.8 Ų | 42.8 | 39% | 0.388 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -63.1 | -26.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | T343 N344 L348 G349 V350 I352 | T343-A346 WeakPolarHBondContact O-CB 3.17Å; T343-A346 PolarHBondContact O-N 3.47Å; N344-A346 PolarHBondContact O-N 3.12Å; A346-L348 PolarHBondContact O-N 2.95Å; A346-G349 PolarHBondContact O-N 2.98Å; A346-V350 WeakPolarHBondContact CA-O 3.46Å; A346-I352 HydrophobicContact CB-CB 4.42Å; A346-I352 HydrophobicContact CB-CG1 4.05Å |
| 347 | H | 95.5 | Very high | 91.3 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 32% | 0.324 | 26% | 0.259 | S | S | . | . | G | 310 helix | trans | -69 | -19.3 | 177.9 | -68 | -63.4 | 0 | 0 | 0 | 113.6 | Y59 N344 M345 G349 M487 | Y59-H347 WeakPolarHBondContact O-CB 3.5Å; N344-H347 WeakPolarHBondContact O-CB 3.45Å; N344-H347 PolarHBondContact O-CD2 2.98Å; N344-H347 PolarHBondContact O-N 3.23Å; M345-H347 PolarHBondContact O-N 2.96Å; H347-G349 PolarHBondContact O-N 3.2Å; H347-M487 HydrophobicContact CB-SD 3.42Å; H347-M487 WeakPolarHBondContact CB-SD 3.16Å; H347-M487 PolarHBondContact CD2-SD 3.41Å |
| 348 | L | 96 | Very high | 89.7 | Confident | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -78.6 | 2 | 171.1 | -79.4 | 64 | 0 | 0 | 0 | 112 | F55 Y59 R137 G138 M345 A346 V350 L484 M487 | F55-L348 HydrophobicContact CE2-CD1 4.33Å; F55-L348 HydrophobicContact CE2-CD2 4.15Å; F55-L348 HydrophobicContact CZ-CD1 3.86Å; F55-L348 HydrophobicContact CZ-CD2 4.23Å; Y59-L348 HydrophobicContact CD1-CD1 4.15Å; Y59-L348 HydrophobicContact CD1-CG 4.04Å; Y59-L348 HydrophobicContact CD2-CD1 4.15Å; Y59-L348 HydrophobicContact CD2-CG 4.23Å; Y59-L348 HydrophobicContact CE1-CG 4.19Å; Y59-L348 HydrophobicContact CE2-CG 4.38Å; Y59-L348 HydrophobicContact CG-CD1 3.82Å; Y59-L348 HydrophobicContact CG-CG 4.08Å; R137-L348 HydrophobicContact CB-CD2 3.9Å; R137-L348 HydrophobicContact CB-CG 4.48Å; R137-L348 HydrophobicContact CG-CD2 3.71Å; G138-L348 WeakPolarHBondContact CA-O 3.48Å; M345-L348 PolarHBondContact O-N 3.02Å; M345-L348 HydrophobicContact SD-CD2 3.93Å; A346-L348 PolarHBondContact O-N 2.95Å; L348-V350 HydrophobicContact CB-CG2 4.11Å; L348-L484 HydrophobicContact CD1-CD2 3.91Å; L348-M487 HydrophobicContact CD1-CE 3.87Å |
| 349 | G | 93.2 | Very high | 87.7 | Confident | 60 Ų | 60 | 54.6 Ų | 54.6 | 62% | 0.619 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | 13.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | A346 H347 | A346-G349 PolarHBondContact O-N 2.98Å; H347-G349 PolarHBondContact O-N 3.2Å |
| 350 | V | 93.8 | Very high | 86.2 | Confident | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | trans | -89.5 | 132.3 | -179.3 | -175.7 | 0 | 0 | 0 | 0 | 110.2 | P141 F315 M345 A346 L348 I352 | P141-V350 HydrophobicContact CB-CG1 4.18Å; P141-V350 HydrophobicContact CB-CG2 3.87Å; P141-V350 HydrophobicContact CG-CG1 3.95Å; P141-V350 HydrophobicContact CG-CG2 4.09Å; F315-V350 HydrophobicContact CD1-CG1 3.82Å; F315-V350 HydrophobicContact CE1-CG1 3.55Å; M345-V350 HydrophobicContact CG-CB 4.09Å; M345-V350 HydrophobicContact CG-CG1 4.28Å; M345-V350 HydrophobicContact CG-CG2 4.32Å; M345-V350 HydrophobicContact SD-CG2 4.39Å; A346-V350 WeakPolarHBondContact CA-O 3.46Å; L348-V350 HydrophobicContact CB-CG2 4.11Å; V350-I352 HydrophobicContact CG1-CD1 4.1Å; V350-I352 PolarHBondContact O-N 3.06Å; V350-I352 VanDerWaalsContact O-N 3.17Å | ||
| 351 | P | 93.3 | Very high | 84.7 | Confident | 46 Ų | 46 | 57.1 Ų | 57.1 | 30% | 0.299 | 33% | 0.326 | S | S | . | . | trans | -73.5 | 110 | 179 | 26.9 | -31.7 | 0 | 0 | 0 | 111.6 | N318 G319 T354 | N318-P351 WeakPolarHBondContact OD1-CG 3.44Å; G319-P351 WeakPolarHBondContact CA-O 3.23Å; G319-P351 PolarHBondContact N-O 3.09Å; P351-T354 HydrophobicContact CB-CG2 4.05Å | ||
| 352 | I | 95.4 | Very high | 83.2 | Confident | 3 Ų | 3 | 65.2 Ų | 65.2 | 2% | 0.015 | 36% | 0.361 | C | S | . | . | trans | -101.4 | -66.4 | 177.4 | -55.4 | -57.1 | 0 | 0 | 0 | 111.5 | L311 I314 F315 G319 I320 L325 I342 M345 A346 V350 | L311-I352 HydrophobicContact CD2-CD1 4.38Å; I314-I352 HydrophobicContact CD1-CG2 4.19Å; I314-I352 HydrophobicContact CG2-CB 4.48Å; I314-I352 HydrophobicContact CG2-CD1 3.89Å; I314-I352 HydrophobicContact CG2-CG2 4.37Å; F315-I352 HydrophobicContact CE1-CD1 3.96Å; G319-I352 VanDerWaalsContact CA-O 3.3Å; G319-I352 WeakPolarHBondContact CA-O 3.31Å; I320-I352 PolarHBondContact N-O 3.28Å; L325-I352 HydrophobicContact CD2-CG2 4.43Å; I342-I352 HydrophobicContact CG2-CG2 3.97Å; I342-I352 WeakPolarHBondContact O-CG2 3.48Å; M345-I352 HydrophobicContact CB-CD1 3.79Å; M345-I352 HydrophobicContact CB-CG1 4.02Å; M345-I352 HydrophobicContact CG-CD1 3.77Å; M345-I352 HydrophobicContact CG-CG1 4.41Å; A346-I352 HydrophobicContact CB-CB 4.42Å; A346-I352 HydrophobicContact CB-CG1 4.05Å; V350-I352 HydrophobicContact CG1-CD1 4.1Å; V350-I352 PolarHBondContact O-N 3.06Å; V350-I352 VanDerWaalsContact O-N 3.17Å | ||
| 353 | V | 94.4 | Very high | 81.8 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 37% | 0.37 | 38% | 0.383 | S | S | . | . | B | Isolated β-bridge | trans | -100.8 | 122.2 | 176.3 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I320 E322 L325 | I320-V353 CarbonylContact O-C 3.55Å; I320-V353 VanDerWaalsContact O-CA 3.3Å; I320-V353 WeakPolarHBondContact O-CA 3.32Å; E322-V353 HydrophobicContact CB-CG1 3.96Å; L325-V353 HydrophobicContact CD2-CG2 3.77Å |
| 354 | T | 88 | Confident | 80.5 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 10% | 0.104 | 38% | 0.383 | C | S | . | . | trans | -136.1 | 110.4 | -178.9 | 60.7 | 0 | 0 | 0 | 0 | 110.9 | G319 I320 P351 | G319-T354 VanDerWaalsContact C-OG1 3.25Å; G319-T354 PolarHBondContact O-OG1 3.01Å; I320-T354 PolarHBondContact O-N 3.07Å; P351-T354 HydrophobicContact CB-CG2 4.05Å | ||
| 355 | D | 76.8 | Confident | 79.5 | Confident | 136 Ų | 136 | 76.8 Ų | 76.8 | 73% | 0.727 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -82.3 | -15.6 | 179 | -59.4 | -40 | 0 | 0 | 0 | 113.6 | ||
| 356 | S | 66.7 | Low | 79.1 | Confident | 45 Ų | 45 | 80.9 Ų | 80.9 | 32% | 0.315 | 43% | 0.43 | S | S | . | . | trans | -127.7 | 135.4 | -178.1 | 65.6 | 0 | 0 | 0 | 0 | 112 | L358 R359 | S356-L358 PolarHBondContact O-N 2.97Å; S356-R359 PolarHBondContact O-N 3.39Å | ||
| 357 | T | 63 | Low | 78.7 | Confident | 110 Ų | 110 | 81.4 Ų | 81.4 | 68% | 0.675 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -65.2 | -19.2 | 175.1 | 50.8 | 0 | 0 | 0 | 0 | 112.9 | R359 R360 | T357-R359 VanDerWaalsContact C-N 3.34Å; T357-R359 PolarHBondContact O-N 3.16Å; T357-R360 PolarHBondContact O-N 3.23Å |
| 358 | L | 56.8 | Low | 77.9 | Confident | 163 Ų | 163 | 87.4 Ų | 87.4 | 85% | 0.853 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -70.9 | -22.8 | -178.9 | -73.3 | 162.4 | 0 | 0 | 0 | 114 | S356 | S356-L358 PolarHBondContact O-N 2.97Š|
| 359 | R | 55.8 | Low | 77 | Confident | 209 Ų | 209 | 90.3 Ų | 90.3 | 79% | 0.789 | 46% | 0.462 | S | S | * | . | G | 310 helix | trans | -90.2 | 1.8 | -179.8 | -68.7 | -171.6 | -178.5 | -170.1 | 1.4 | 113.9 | S356 T357 G361 | S356-R359 PolarHBondContact O-N 3.39Å; T357-R359 VanDerWaalsContact C-N 3.34Å; T357-R359 PolarHBondContact O-N 3.16Å; R359-G361 PolarHBondContact O-N 2.8Å; R359-G361 VanDerWaalsContact O-N 3.12Å |
| 360 | R | 64.3 | Low | 75.5 | Confident | 109 Ų | 109 | 91.9 Ų | 91.9 | 41% | 0.411 | 46% | 0.46 | S | S | . | . | trans | -75.8 | 102.2 | 179.3 | -69.8 | -172.7 | 172 | 166.2 | -2.4 | 109.7 | N318 G319 T357 | N318-R360 WeakPolarHBondContact ND2-CA 3.48Å; N318-R360 WeakPolarHBondContact ND2-CB 3.36Å; G319-R360 PolarHBondContact O-NH2 3.03Å; T357-R360 PolarHBondContact O-N 3.23Å | ||
| 361 | G | 63.6 | Low | 74.2 | Confident | 50 Ų | 50 | 94.3 Ų | 94.3 | 52% | 0.515 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -57.9 | 153.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N318 R359 K363 | N318-G361 PolarHBondContact ND2-N 2.72Å; N318-G361 PolarHBondContact ND2-O 3.45Å; R359-G361 PolarHBondContact O-N 2.8Å; R359-G361 VanDerWaalsContact O-N 3.12Å; G361-K363 PolarHBondContact O-N 3.12Å |
| 362 | K | 66.1 | Low | 72.4 | Confident | 170 Ų | 170 | 101.7 Ų | 101.7 | 74% | 0.739 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -69.2 | 127.5 | 174.2 | -167.4 | -167.6 | 170.6 | -158.5 | 0 | 108.2 | D365 | K362-D365 IonicContact NZ-OD1 2.95Å; K362-D365 IonicContact NZ-OD2 2.66Å; K362-D365 PolarHBondContact NZ-OD2 2.92Å |
| 363 | K | 68.2 | Low | 71.1 | Confident | 104 Ų | 104 | 110 Ų | 110 | 45% | 0.452 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 139.5 | 169.6 | -73.6 | -172.4 | 171.4 | -175 | 0 | 109.3 | F315 L316 G361 D365 | F315-K363 VanDerWaalsContact O-CE 3.25Å; F315-K363 WeakPolarHBondContact O-CE 3.34Å; F315-K363 PolarHBondContact O-NZ 2.81Å; L316-K363 PolarHBondContact O-NZ 3.32Å; G361-K363 PolarHBondContact O-N 3.12Å; K363-D365 PolarHBondContact O-N 3.39Å |
| 364 | M | 70.1 | Confident | 70.5 | Confident | 72 Ų | 72 | 109.5 Ų | 109.5 | 36% | 0.355 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 133.6 | 170.9 | -74.8 | -174.2 | 66.4 | 0 | 0 | 109.3 | R366 L383 Y401 | M364-R366 PolarHBondContact O-N 3.4Å; M364-L383 HydrophobicContact SD-CD2 4.17Å; M364-Y401 HydrophobicContact CE-CE2 4.08Å |
| 365 | D | 76.4 | Confident | 70.6 | Confident | 126 Ų | 126 | 113.2 Ų | 113.2 | 67% | 0.674 | 56% | 0.557 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 125 | 176.5 | -63.6 | -43.2 | 0 | 0 | 0 | 108 | K362 K363 | K362-D365 IonicContact NZ-OD1 2.95Å; K362-D365 IonicContact NZ-OD2 2.66Å; K362-D365 PolarHBondContact NZ-OD2 2.92Å; K363-D365 PolarHBondContact O-N 3.39Å |
| 366 | R | 88.9 | Confident | 71.3 | Confident | 89 Ų | 89 | 112.5 Ų | 112.5 | 34% | 0.336 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -83.3 | 146.1 | -178.1 | -62.2 | -58.5 | -51.2 | -76.1 | -5.5 | 110.1 | M364 T381 D386 | M364-R366 PolarHBondContact O-N 3.4Å; R366-T381 PolarHBondContact NH1-O 3.04Å; R366-T381 PolarHBondContact NH2-O 3.31Å; R366-D386 IonicContact CZ-OD2 3.79Å; R366-D386 IonicContact NE-OD2 3.42Å; R366-D386 PolarHBondContact NE-OD2 3.3Å; R366-D386 IonicContact NH2-OD1 3.4Å; R366-D386 IonicContact NH2-OD2 3.61Å; R366-D386 PolarHBondContact NH2-OD2 3.25Å |
| 367 | K | 86.9 | Confident | 72.6 | Confident | 57 Ų | 57 | 111.4 Ų | 111.4 | 25% | 0.248 | 54% | 0.539 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 135.5 | 168.8 | -77.6 | 178.5 | 172.5 | 171.9 | 0 | 110 | R369 D386 E389 D390 | K367-R369 HydrophobicContact CB-CG 4.21Å; K367-R369 PolarHBondContact O-N 3.12Å; K367-D386 HydrophobicContact CD-CB 4.28Å; K367-D386 HydrophobicContact CG-CB 4.48Å; K367-D386 PolarHBondContact N-OD2 3.09Å; K367-D386 PolarHBondContact NZ-O 3.17Å; K367-E389 VanDerWaalsContact NZ-CB 3.26Å; K367-E389 IonicContact NZ-OE2 2.67Å; K367-E389 PolarHBondContact NZ-OE2 3.26Å; K367-D390 WeakPolarHBondContact CE-OD1 3.3Å; K367-D390 VanDerWaalsContact CE-OD2 3.29Å; K367-D390 WeakPolarHBondContact CE-OD2 3.28Å; K367-D390 IonicContact NZ-OD1 2.78Å; K367-D390 PolarHBondContact NZ-OD1 3.3Å; K367-D390 IonicContact NZ-OD2 3.86Å |
| 368 | E | 77.9 | Confident | 74.1 | Confident | 196 Ų | 196 | 107.5 Ų | 107.5 | 92% | 0.916 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 117.2 | 174.4 | -168.8 | 172.7 | -171.3 | 0 | 0 | 109.4 | ||
| 369 | R | 77.8 | Confident | 75.9 | Confident | 64 Ų | 64 | 100.7 Ų | 100.7 | 24% | 0.242 | 48% | 0.479 | C | S | . | . | trans | -134.8 | -8.6 | -170.9 | -65 | 176.1 | -177.3 | -77.9 | 6.4 | 114.4 | K367 S371 D386 E389 | K367-R369 HydrophobicContact CB-CG 4.21Å; K367-R369 PolarHBondContact O-N 3.12Å; R369-S371 PolarHBondContact O-N 2.93Å; R369-D386 IonicContact CZ-OD1 2.8Å; R369-D386 IonicContact NE-OD1 3.53Å; R369-D386 PolarHBondContact NE-OD1 3.09Å; R369-D386 IonicContact NH2-OD1 2.67Å; R369-D386 PolarHBondContact NH2-OD1 3.38Å; R369-E389 IonicContact CZ-OE1 3.69Å; R369-E389 IonicContact CZ-OE2 3.41Å; R369-E389 IonicContact NH1-OE1 2.81Å; R369-E389 PolarHBondContact NH1-OE1 3.08Å; R369-E389 IonicContact NH1-OE2 2.75Å; R369-E389 PolarHBondContact NH1-OE2 3.23Å; R369-E389 IonicContact NH2-OE1 3.61Å; R369-E389 PolarHBondContact NH2-OE1 3.37Å; R369-E389 IonicContact NH2-OE2 2.88Å; R369-E389 PolarHBondContact NH2-OE2 3.19Å | ||
| 370 | V | 61.9 | Low | 77.8 | Confident | 94 Ų | 94 | 91.8 Ų | 91.8 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | trans | -67.5 | 113.9 | -173.9 | -175.6 | 0 | 0 | 0 | 0 | 108.2 | M276 | M276-V370 HydrophobicContact CE-CG2 4.06Š| ||
| 371 | S | 65.8 | Low | 79.4 | Confident | 60 Ų | 60 | 88 Ų | 88 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | trans | -109.2 | 156.6 | 177.2 | 170.4 | 0 | 0 | 0 | 0 | 109 | R369 Q373 T374 | R369-S371 PolarHBondContact O-N 2.93Å; S371-Q373 PolarHBondContact O-N 3.04Å; S371-Q373 PolarHBondContact OG-N 3.46Å; S371-T374 PolarHBondContact N-OG1 3.22Å; S371-T374 WeakPolarHBondContact O-CB 3.42Å; S371-T374 PolarHBondContact O-N 3.18Å; S371-T374 PolarHBondContact O-OG1 3.39Å | ||
| 372 | E | 56.8 | Low | 81 | Confident | 201 Ų | 201 | 85.6 Ų | 85.6 | 94% | 0.939 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -18.9 | 172 | -65.3 | -178.2 | 172.9 | 0 | 0 | 112.9 | ||
| 373 | Q | 66.3 | Low | 82.4 | Confident | 177 Ų | 177 | 78.2 Ų | 78.2 | 83% | 0.827 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -6.2 | 178.6 | -64.2 | -179.3 | -12.7 | 0 | 0 | 113.9 | S371 | S371-Q373 PolarHBondContact O-N 3.04Å; S371-Q373 PolarHBondContact OG-N 3.46Å |
| 374 | T | 83.1 | Confident | 83.9 | Confident | 51 Ų | 51 | 73.2 Ų | 73.2 | 31% | 0.313 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -77.4 | 127.2 | -179.4 | -54.9 | 0 | 0 | 0 | 0 | 110.5 | S371 Q376 S378 R379 | S371-T374 PolarHBondContact N-OG1 3.22Å; S371-T374 WeakPolarHBondContact O-CB 3.42Å; S371-T374 PolarHBondContact O-N 3.18Å; S371-T374 PolarHBondContact O-OG1 3.39Å; T374-Q376 PolarHBondContact O-N 3.38Å; T374-S378 VanDerWaalsContact CG2-O 3.25Å; T374-S378 WeakPolarHBondContact CG2-O 3.44Å; T374-R379 HydrophobicContact CG2-CG 4.42Å |
| 375 | Y | 90.3 | Very high | 85.2 | Confident | 95 Ų | 95 | 71.6 Ų | 71.6 | 37% | 0.373 | 35% | 0.348 | S | S | . | . | trans | -60 | 136.4 | 173.6 | -71 | -82.4 | 0 | 0 | 0 | 110.9 | H197 A199 E200 L377 S378 | H197-Y375 HydrophobicContact CB-CD2 4.14Å; H197-Y375 HydrophobicContact CB-CE2 3.77Å; H197-Y375 AromaticContact CD2-CD2 3.68Å; H197-Y375 AromaticContact CE1-CD1 3.86Å; H197-Y375 AromaticContact CE1-CD2 3.92Å; H197-Y375 AromaticContact CE1-CG 3.76Å; H197-Y375 AromaticContact CG-CD2 3.6Å; H197-Y375 AromaticContact CG-CE2 3.57Å; H197-Y375 AromaticContact ND1-CD2 3.75Å; H197-Y375 AromaticContact ND1-CE1 3.99Å; H197-Y375 AromaticContact ND1-CE2 3.6Å; H197-Y375 AromaticContact ND1-CZ 3.73Å; H197-Y375 AromaticContact NE2-CD2 3.89Å; H197-Y375 AromaticContact NE2-CG 3.79Å; A199-Y375 HydrophobicContact CB-CE1 4.06Å; E200-Y375 WeakPolarHBondContact CG-OH 3.36Å; E200-Y375 PolarHBondContact OE1-OH 3.47Å; Y375-L377 PolarHBondContact O-N 3.27Å; Y375-S378 CarbonylContact O-C 3.5Å; Y375-S378 PolarHBondContact O-N 3.39Å | ||
| 376 | Q | 90.3 | Very high | 86.2 | Confident | 121 Ų | 121 | 65.9 Ų | 65.9 | 57% | 0.565 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -30.9 | -175.3 | -70.1 | -175.4 | -22 | 0 | 0 | 114 | A280 T374 R379 | A280-Q376 HydrophobicContact CB-CG 4.37Å; T374-Q376 PolarHBondContact O-N 3.38Å; Q376-R379 WeakPolarHBondContact O-CD 3.15Å; Q376-R379 WeakPolarHBondContact O-CG 3.38Å; Q376-R379 PolarHBondContact O-NE 2.85Å |
| 377 | L | 94 | Very high | 86.6 | Confident | 22 Ų | 22 | 61.7 Ų | 61.7 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | 11.4 | -179.4 | -56.6 | -179.2 | 0 | 0 | 0 | 113.3 | L149 Y260 D265 C268 R269 Q272 Y375 | L149-L377 HydrophobicContact CD1-CB 3.81Å; Y260-L377 WeakPolarHBondContact OH-CD1 3.05Å; D265-L377 WeakPolarHBondContact OD1-CD1 2.96Å; C268-L377 HydrophobicContact CB-CB 4.31Å; C268-L377 HydrophobicContact CB-CD1 4.35Å; C268-L377 HydrophobicContact CB-CD2 4.47Å; R269-L377 HydrophobicContact CB-CD2 4.25Å; R269-L377 HydrophobicContact CG-CD2 3.49Å; R269-L377 VanDerWaalsContact CG-CD2 3.49Å; Q272-L377 WeakPolarHBondContact CG-O 3.45Å; Q272-L377 PolarHBondContact NE2-O 3.35Å; Y375-L377 PolarHBondContact O-N 3.27Å |
| 378 | S | 95.3 | Very high | 87.1 | Confident | 28 Ų | 28 | 59 Ų | 59 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | trans | -139 | 46.5 | 178.7 | -52.1 | 0 | 0 | 0 | 0 | 110.5 | H197 T374 Y375 | H197-S378 PolarHBondContact NE2-OG 2.86Å; T374-S378 VanDerWaalsContact CG2-O 3.25Å; T374-S378 WeakPolarHBondContact CG2-O 3.44Å; Y375-S378 CarbonylContact O-C 3.5Å; Y375-S378 PolarHBondContact O-N 3.39Å | ||
| 379 | R | 94.7 | Very high | 88 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 8% | 0.075 | 26% | 0.256 | C | S | . | . | trans | -79.7 | -34.4 | -179 | -69.8 | 178.6 | -74.6 | 145.4 | -1.5 | 112.1 | Q272 D273 M276 T278 D279 T374 Q376 T381 | Q272-R379 VanDerWaalsContact CB-NH2 3.31Å; D273-R379 IonicContact OD1-CZ 3.68Å; D273-R379 IonicContact OD1-NH1 3.76Å; D273-R379 IonicContact OD1-NH2 2.7Å; D273-R379 PolarHBondContact OD1-NH2 3.2Å; M276-R379 HydrophobicContact CE-CB 4.2Å; M276-R379 HydrophobicContact CG-CB 3.98Å; M276-R379 HydrophobicContact SD-CB 4.16Å; T278-R379 PolarHBondContact O-NH1 3.39Å; D279-R379 PolarHBondContact O-NH1 2.74Å; T374-R379 HydrophobicContact CG2-CG 4.42Å; Q376-R379 WeakPolarHBondContact O-CD 3.15Å; Q376-R379 WeakPolarHBondContact O-CG 3.38Å; Q376-R379 PolarHBondContact O-NE 2.85Å; R379-T381 PolarHBondContact O-N 3.3Å | ||
| 380 | W | 95.6 | Very high | 89 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | trans | -61.4 | 134.5 | 178 | 178.7 | -101.4 | 0 | 0 | 0 | 111.3 | V142 S143 L146 A275 M276 | V142-W380 HydrophobicContact CB-CH2 3.82Å; V142-W380 HydrophobicContact CB-CZ2 3.62Å; V142-W380 HydrophobicContact CG1-CD2 3.94Å; V142-W380 HydrophobicContact CG1-CE3 4.13Å; V142-W380 HydrophobicContact CG1-CH2 3.69Å; V142-W380 HydrophobicContact CG1-CZ2 3.51Å; V142-W380 HydrophobicContact CG1-CZ3 3.99Å; V142-W380 HydrophobicContact CG2-CH2 4.15Å; V142-W380 HydrophobicContact CG2-CZ2 4.43Å; S143-W380 PolarHBondContact OG-NE1 3.12Å; L146-W380 HydrophobicContact CD1-CB 3.74Å; L146-W380 HydrophobicContact CD1-CD2 3.97Å; L146-W380 HydrophobicContact CD1-CG 3.36Å; A275-W380 HydrophobicContact CB-CB 4.49Å; A275-W380 HydrophobicContact CB-CD2 4.17Å; A275-W380 HydrophobicContact CB-CE3 3.74Å; A275-W380 HydrophobicContact CB-CZ3 4.29Å; A275-W380 WeakPolarHBondContact O-CZ3 3.16Å; M276-W380 HydrophobicContact SD-CB 4.25Å; M276-W380 HydrophobicContact SD-CE3 4.01Å | ||
| 381 | T | 96.4 | Very high | 90.6 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 17% | 0.172 | 23% | 0.227 | C | C | . | . | trans | -114.8 | 131.4 | 167.3 | -63.3 | 0 | 0 | 0 | 0 | 107.5 | R366 R379 K385 | R366-T381 PolarHBondContact NH1-O 3.04Å; R366-T381 PolarHBondContact NH2-O 3.31Å; R379-T381 PolarHBondContact O-N 3.3Å; T381-K385 HydrophobicContact CG2-CB 3.82Å; T381-K385 HydrophobicContact CG2-CD 3.6Å; T381-K385 HydrophobicContact CG2-CG 4.27Å | ||
| 382 | P | 97.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -56.7 | 140.7 | 174.6 | -29.5 | 37.3 | 0 | 0 | 0 | 113.3 | S143 I384 K385 E451 | S143-P382 VanDerWaalsContact OG-CA 3.25Å; S143-P382 WeakPolarHBondContact OG-CA 3.34Å; S143-P382 WeakPolarHBondContact OG-CB 3.26Å; P382-I384 HydrophobicContact CB-CG2 3.97Å; P382-I384 PolarHBondContact O-N 3.39Å; P382-I384 VanDerWaalsContact O-N 3.14Å; P382-K385 WeakPolarHBondContact O-CB 3.39Å; P382-K385 PolarHBondContact O-N 2.66Å; P382-E451 HydrophobicContact CB-CG 4.11Å | ||
| 383 | L | 96.7 | Very high | 93.9 | Very high | 15 Ų | 15 | 37.8 Ų | 37.8 | 8% | 0.079 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -28.2 | -178.1 | -179.2 | 62 | 0 | 0 | 0 | 111.7 | F139 D140 M364 K385 D386 I387 | F139-L383 HydrophobicContact CD2-CD2 4.17Å; F139-L383 HydrophobicContact CE2-CB 4.43Å; F139-L383 WeakPolarHBondContact O-CD2 3.45Å; D140-L383 HydrophobicContact CB-CB 4.03Å; D140-L383 WeakPolarHBondContact OD2-CB 3.31Å; D140-L383 PolarHBondContact OD2-N 2.67Å; M364-L383 HydrophobicContact SD-CD2 4.17Å; L383-K385 PolarHBondContact O-N 2.84Å; L383-D386 HydrophobicContact CD1-CB 4.25Å; L383-D386 WeakPolarHBondContact O-CB 3.28Å; L383-D386 PolarHBondContact O-N 2.96Å; L383-I387 HydrophobicContact CG-CD1 4.23Å; L383-I387 PolarHBondContact O-N 3.38Å; L383-I387 VanDerWaalsContact O-N 3.16Å |
| 384 | I | 98.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -58.6 | -30.4 | 177.9 | -167.6 | 56.6 | 0 | 0 | 0 | 113 | L135 F139 P382 D386 I387 M388 V441 E451 C454 I469 | L135-I384 HydrophobicContact CD1-CD1 3.42Å; L135-I384 VanDerWaalsContact CD1-CD1 3.42Å; F139-I384 HydrophobicContact CE2-CB 4.07Å; F139-I384 HydrophobicContact CE2-CD1 4.33Å; F139-I384 HydrophobicContact CZ-CB 4.09Å; F139-I384 HydrophobicContact CZ-CD1 4.44Å; P382-I384 HydrophobicContact CB-CG2 3.97Å; P382-I384 PolarHBondContact O-N 3.39Å; P382-I384 VanDerWaalsContact O-N 3.14Å; I384-D386 VanDerWaalsContact C-N 3.34Å; I384-I387 HydrophobicContact CD1-CB 4.21Å; I384-I387 HydrophobicContact CD1-CD1 4.3Å; I384-I387 HydrophobicContact CD1-CG2 4.31Å; I384-I387 PolarHBondContact O-N 2.6Å; I384-M388 HydrophobicContact CD1-CE 4.46Å; I384-M388 HydrophobicContact CD1-CG 4.4Å; I384-M388 HydrophobicContact CG1-CE 3.75Å; I384-M388 HydrophobicContact CG1-CG 4.18Å; I384-M388 HydrophobicContact CG1-SD 4.19Å; I384-M388 WeakPolarHBondContact O-CB 3.45Å; I384-M388 VanDerWaalsContact O-CG 3.27Å; I384-M388 WeakPolarHBondContact O-CG 3.34Å; I384-M388 PolarHBondContact O-N 2.89Å; I384-V441 HydrophobicContact CD1-CG1 3.66Å; I384-V441 HydrophobicContact CD1-CG2 4.27Å; I384-V441 HydrophobicContact CG1-CG1 4.3Å; I384-E451 HydrophobicContact CG2-CB 3.85Å; I384-E451 HydrophobicContact CG2-CG 3.79Å; I384-C454 HydrophobicContact CG2-CB 4.07Å; I384-I469 HydrophobicContact CG1-CD1 4.29Å |
| 385 | K | 98.1 | Very high | 95.8 | Very high | 37 Ų | 37 | 36.5 Ų | 36.5 | 16% | 0.161 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.4 | -40.2 | 176.3 | -164.4 | 175.3 | -179.1 | 175.1 | 0 | 111.6 | T381 P382 L383 M388 E389 C454 E457 V458 | T381-K385 HydrophobicContact CG2-CB 3.82Å; T381-K385 HydrophobicContact CG2-CD 3.6Å; T381-K385 HydrophobicContact CG2-CG 4.27Å; P382-K385 WeakPolarHBondContact O-CB 3.39Å; P382-K385 PolarHBondContact O-N 2.66Å; L383-K385 PolarHBondContact O-N 2.84Å; K385-M388 PolarHBondContact O-N 3.45Å; K385-E389 WeakPolarHBondContact O-CB 3.39Å; K385-E389 WeakPolarHBondContact O-CG 3.33Å; K385-E389 PolarHBondContact O-N 3.46Å; K385-C454 HydrophobicContact CB-CB 4Å; K385-C454 HydrophobicContact CG-CB 4.29Å; K385-E457 WeakPolarHBondContact CE-OE2 3.36Å; K385-E457 IonicContact NZ-OE2 3.3Å; K385-E457 PolarHBondContact NZ-OE2 3Å; K385-V458 HydrophobicContact CG-CG2 3.83Å |
| 386 | D | 97.1 | Very high | 96 | Very high | 6 Ų | 6 | 32.5 Ų | 32.5 | 3% | 0.032 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61 | -49.2 | 175.4 | -60.1 | -9.8 | 0 | 0 | 0 | 109.8 | R366 K367 R369 L383 I384 M388 E389 D390 | R366-D386 IonicContact CZ-OD2 3.79Å; R366-D386 IonicContact NE-OD2 3.42Å; R366-D386 PolarHBondContact NE-OD2 3.3Å; R366-D386 IonicContact NH2-OD1 3.4Å; R366-D386 IonicContact NH2-OD2 3.61Å; R366-D386 PolarHBondContact NH2-OD2 3.25Å; K367-D386 HydrophobicContact CD-CB 4.28Å; K367-D386 HydrophobicContact CG-CB 4.48Å; K367-D386 PolarHBondContact N-OD2 3.09Å; K367-D386 PolarHBondContact NZ-O 3.17Å; R369-D386 IonicContact CZ-OD1 2.8Å; R369-D386 IonicContact NE-OD1 3.53Å; R369-D386 PolarHBondContact NE-OD1 3.09Å; R369-D386 IonicContact NH2-OD1 2.67Å; R369-D386 PolarHBondContact NH2-OD1 3.38Å; L383-D386 HydrophobicContact CD1-CB 4.25Å; L383-D386 WeakPolarHBondContact O-CB 3.28Å; L383-D386 PolarHBondContact O-N 2.96Å; I384-D386 VanDerWaalsContact C-N 3.34Å; D386-M388 PolarHBondContact O-N 2.83Å; D386-E389 PolarHBondContact O-N 2.74Å; D386-D390 WeakPolarHBondContact O-CB 3.42Å; D386-D390 PolarHBondContact O-N 3.42Å |
| 387 | I | 97.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.4 | -46.4 | 178.3 | -63.7 | 169.8 | 0 | 0 | 0 | 111.3 | I133 L135 F139 L383 I384 D390 A391 L396 Y401 | I133-I387 HydrophobicContact CD1-CG2 4.14Å; L135-I387 HydrophobicContact CD1-CD1 4.36Å; F139-I387 HydrophobicContact CD2-CD1 3.85Å; F139-I387 HydrophobicContact CE2-CD1 3.97Å; L383-I387 HydrophobicContact CG-CD1 4.23Å; L383-I387 PolarHBondContact O-N 3.38Å; L383-I387 VanDerWaalsContact O-N 3.16Å; I384-I387 HydrophobicContact CD1-CB 4.21Å; I384-I387 HydrophobicContact CD1-CD1 4.3Å; I384-I387 HydrophobicContact CD1-CG2 4.31Å; I384-I387 PolarHBondContact O-N 2.6Å; I387-D390 PolarHBondContact O-N 3.49Å; I387-A391 VanDerWaalsContact O-CB 3.27Å; I387-A391 WeakPolarHBondContact O-CB 3.46Å; I387-A391 PolarHBondContact O-N 3.23Å; I387-L396 HydrophobicContact CB-CD1 4.45Å; I387-L396 HydrophobicContact CG2-CD1 4.1Å; I387-L396 HydrophobicContact CG2-CD2 4.06Å; I387-Y401 HydrophobicContact CD1-CE1 4.27Å; I387-Y401 WeakPolarHBondContact CD1-OH 3.23Å |
| 388 | M | 98.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -48.5 | -177.9 | -76.2 | 175 | 171.5 | 0 | 0 | 112 | I384 K385 D386 A391 I392 L439 V441 A455 V458 A467 I469 | I384-M388 HydrophobicContact CD1-CE 4.46Å; I384-M388 HydrophobicContact CD1-CG 4.4Å; I384-M388 HydrophobicContact CG1-CE 3.75Å; I384-M388 HydrophobicContact CG1-CG 4.18Å; I384-M388 HydrophobicContact CG1-SD 4.19Å; I384-M388 WeakPolarHBondContact O-CB 3.45Å; I384-M388 VanDerWaalsContact O-CG 3.27Å; I384-M388 WeakPolarHBondContact O-CG 3.34Å; I384-M388 PolarHBondContact O-N 2.89Å; K385-M388 PolarHBondContact O-N 3.45Å; D386-M388 PolarHBondContact O-N 2.83Å; M388-A391 PolarHBondContact O-N 2.62Å; M388-I392 WeakPolarHBondContact O-CG1 3.37Å; M388-I392 PolarHBondContact O-N 3.16Å; M388-L439 HydrophobicContact CB-CD2 3.78Å; M388-L439 HydrophobicContact CG-CD2 3.83Å; M388-L439 WeakPolarHBondContact O-CD2 3.4Å; M388-V441 HydrophobicContact CE-CB 4.14Å; M388-V441 HydrophobicContact CE-CG2 3.72Å; M388-V441 HydrophobicContact CG-CG2 4.13Å; M388-A455 HydrophobicContact CE-CB 4Å; M388-A455 HydrophobicContact SD-CB 4.42Å; M388-V458 HydrophobicContact CB-CG1 4.25Å; M388-V458 HydrophobicContact CB-CG2 4.16Å; M388-V458 HydrophobicContact SD-CG2 4.45Å; M388-A467 HydrophobicContact SD-CB 4.34Å; M388-I469 HydrophobicContact CE-CB 3.97Å; M388-I469 HydrophobicContact CE-CD1 3.98Å; M388-I469 HydrophobicContact CE-CG1 4.27Å |
| 389 | E | 97 | Very high | 96.1 | Very high | 46 Ų | 46 | 39.9 Ų | 39.9 | 22% | 0.215 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 177.4 | -72.1 | 174.3 | -176.2 | 0 | 0 | 111.9 | K367 R369 K385 D386 A391 I392 D393 V458 | K367-E389 VanDerWaalsContact NZ-CB 3.26Å; K367-E389 IonicContact NZ-OE2 2.67Å; K367-E389 PolarHBondContact NZ-OE2 3.26Å; R369-E389 IonicContact CZ-OE1 3.69Å; R369-E389 IonicContact CZ-OE2 3.41Å; R369-E389 IonicContact NH1-OE1 2.81Å; R369-E389 PolarHBondContact NH1-OE1 3.08Å; R369-E389 IonicContact NH1-OE2 2.75Å; R369-E389 PolarHBondContact NH1-OE2 3.23Å; R369-E389 IonicContact NH2-OE1 3.61Å; R369-E389 PolarHBondContact NH2-OE1 3.37Å; R369-E389 IonicContact NH2-OE2 2.88Å; R369-E389 PolarHBondContact NH2-OE2 3.19Å; K385-E389 WeakPolarHBondContact O-CB 3.39Å; K385-E389 WeakPolarHBondContact O-CG 3.33Å; K385-E389 PolarHBondContact O-N 3.46Å; D386-E389 PolarHBondContact O-N 2.74Å; E389-A391 VanDerWaalsContact C-N 3.31Å; E389-A391 PolarHBondContact O-N 2.53Å; E389-I392 PolarHBondContact O-N 3.45Å; E389-D393 WeakPolarHBondContact O-CB 3.39Å; E389-D393 PolarHBondContact O-N 2.81Å; E389-V458 HydrophobicContact CG-CG1 4.48Å; E389-V458 HydrophobicContact CG-CG2 3.99Å |
| 390 | D | 96.8 | Very high | 96 | Very high | 37 Ų | 37 | 42.3 Ų | 42.3 | 20% | 0.198 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | 177.4 | -78.1 | -25.6 | 0 | 0 | 0 | 112.4 | K367 D386 I387 D394 K395 L396 | K367-D390 WeakPolarHBondContact CE-OD1 3.3Å; K367-D390 VanDerWaalsContact CE-OD2 3.29Å; K367-D390 WeakPolarHBondContact CE-OD2 3.28Å; K367-D390 IonicContact NZ-OD1 2.78Å; K367-D390 PolarHBondContact NZ-OD1 3.3Å; K367-D390 IonicContact NZ-OD2 3.86Å; D386-D390 WeakPolarHBondContact O-CB 3.42Å; D386-D390 PolarHBondContact O-N 3.42Å; I387-D390 PolarHBondContact O-N 3.49Å; D390-D394 CarbonylContact O-C 3.55Å; D390-D394 PolarHBondContact O-N 3.11Å; D390-K395 HydrophobicContact CB-CB 4.3Å; D390-K395 PolarHBondContact O-N 3.21Å; D390-L396 HydrophobicContact CB-CB 4.02Å; D390-L396 HydrophobicContact CB-CD1 4.13Å; D390-L396 PolarHBondContact O-N 2.92Å |
| 391 | A | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.8 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q131 I133 I387 M388 E389 D394 L396 L439 | Q131-A391 PolarHBondContact NE2-O 3.21Å; I133-A391 HydrophobicContact CD1-CB 3.68Å; I387-A391 VanDerWaalsContact O-CB 3.27Å; I387-A391 WeakPolarHBondContact O-CB 3.46Å; I387-A391 PolarHBondContact O-N 3.23Å; M388-A391 PolarHBondContact O-N 2.62Å; E389-A391 VanDerWaalsContact C-N 3.31Å; E389-A391 PolarHBondContact O-N 2.53Å; A391-D394 PolarHBondContact O-N 3.24Å; A391-L396 HydrophobicContact CB-CB 4.4Å; A391-L396 HydrophobicContact CB-CD2 4.1Å; A391-L439 HydrophobicContact CB-CD1 3.87Å; A391-L439 HydrophobicContact CB-CD2 3.96Å |
| 392 | I | 96 | Very high | 96.1 | Very high | 9 Ų | 9 | 41.3 Ų | 41.3 | 5% | 0.046 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -66.4 | -38.7 | 177.7 | -75.4 | 167.3 | 0 | 0 | 0 | 111.5 | M388 E389 D394 L439 V458 N462 W465 | M388-I392 WeakPolarHBondContact O-CG1 3.37Å; M388-I392 PolarHBondContact O-N 3.16Å; E389-I392 PolarHBondContact O-N 3.45Å; I392-D394 PolarHBondContact O-N 3.43Å; I392-L439 HydrophobicContact CD1-CD2 4.24Å; I392-L439 HydrophobicContact CG1-CB 4.42Å; I392-L439 HydrophobicContact CG1-CD2 4.07Å; I392-V458 HydrophobicContact CD1-CG1 3.36Å; I392-N462 VanDerWaalsContact CG2-ND2 3.34Å; I392-N462 WeakPolarHBondContact CG2-ND2 3.36Å; I392-W465 HydrophobicContact CB-CD2 4.39Å; I392-W465 HydrophobicContact CB-CG 4.46Å; I392-W465 HydrophobicContact CD1-CB 3.94Å; I392-W465 HydrophobicContact CD1-CG 4.32Å; I392-W465 HydrophobicContact CG1-CB 4.11Å; I392-W465 HydrophobicContact CG1-CD2 3.85Å; I392-W465 HydrophobicContact CG1-CE3 3.95Å; I392-W465 HydrophobicContact CG1-CG 3.96Å; I392-W465 HydrophobicContact CG2-CB 4.36Å; I392-W465 HydrophobicContact CG2-CD2 4.12Å; I392-W465 HydrophobicContact CG2-CG 3.82Å |
| 393 | D | 95.3 | Very high | 96 | Very high | 78 Ų | 78 | 43.5 Ų | 43.5 | 42% | 0.417 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | 0.6 | 177.5 | -82.4 | 6.2 | 0 | 0 | 0 | 113.5 | E389 K395 | E389-D393 WeakPolarHBondContact O-CB 3.39Å; E389-D393 PolarHBondContact O-N 2.81Å; D393-K395 HydrophobicContact CB-CB 4.44Å; D393-K395 HydrophobicContact CB-CD 3.9Å; D393-K395 HydrophobicContact CB-CG 4.04Å; D393-K395 PolarHBondContact O-N 2.99Å; D393-K395 IonicContact OD2-NZ 3.52Å; D393-K395 PolarHBondContact OD2-NZ 2.98Å |
| 394 | D | 94.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 44.6 Ų | 44.6 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 29.4 | -172.4 | -77.3 | -55.9 | 0 | 0 | 0 | 113.3 | D390 A391 I392 R407 | D390-D394 CarbonylContact O-C 3.55Å; D390-D394 PolarHBondContact O-N 3.11Å; A391-D394 PolarHBondContact O-N 3.24Å; I392-D394 PolarHBondContact O-N 3.43Å; D394-R407 IonicContact OD1-CZ 3.02Å; D394-R407 IonicContact OD1-NH1 3.78Å; D394-R407 PolarHBondContact OD1-NH1 3.03Å; D394-R407 IonicContact OD1-NH2 3.18Å; D394-R407 PolarHBondContact OD1-NH2 3.45Å; D394-R407 IonicContact OD2-NH2 3.89Å |
| 395 | K | 95.4 | Very high | 95.2 | Very high | 137 Ų | 137 | 47.4 Ų | 47.4 | 60% | 0.596 | 24% | 0.239 | S | C | * | . | trans | -100.7 | -7.9 | 176.7 | -68.1 | 172.3 | -168.8 | 151.6 | 0 | 113.9 | D390 D393 D397 | D390-K395 HydrophobicContact CB-CB 4.3Å; D390-K395 PolarHBondContact O-N 3.21Å; D393-K395 HydrophobicContact CB-CB 4.44Å; D393-K395 HydrophobicContact CB-CD 3.9Å; D393-K395 HydrophobicContact CB-CG 4.04Å; D393-K395 PolarHBondContact O-N 2.99Å; D393-K395 IonicContact OD2-NZ 3.52Å; D393-K395 PolarHBondContact OD2-NZ 2.98Å; K395-D397 PolarHBondContact O-N 3.44Å | ||
| 396 | L | 95.1 | Very high | 93.5 | Very high | 10 Ų | 10 | 52.6 Ų | 52.6 | 5% | 0.052 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -66.1 | 118.5 | -179.4 | -171.9 | 69.8 | 0 | 0 | 0 | 110.5 | R92 I133 I387 D390 A391 T398 Y401 | R92-L396 PolarHBondContact NH2-O 3.44Å; I133-L396 HydrophobicContact CD1-CD2 3.75Å; I387-L396 HydrophobicContact CB-CD1 4.45Å; I387-L396 HydrophobicContact CG2-CD1 4.1Å; I387-L396 HydrophobicContact CG2-CD2 4.06Å; D390-L396 HydrophobicContact CB-CB 4.02Å; D390-L396 HydrophobicContact CB-CD1 4.13Å; D390-L396 PolarHBondContact O-N 2.92Å; A391-L396 HydrophobicContact CB-CB 4.4Å; A391-L396 HydrophobicContact CB-CD2 4.1Å; L396-T398 PolarHBondContact O-N 3.39Å; L396-Y401 HydrophobicContact CD1-CD2 3.57Å; L396-Y401 HydrophobicContact CD1-CE2 3.76Å; L396-Y401 HydrophobicContact CD1-CG 4.11Å; L396-Y401 HydrophobicContact CD2-CD1 4.16Å; L396-Y401 HydrophobicContact CD2-CD2 4.05Å; L396-Y401 HydrophobicContact CD2-CG 3.72Å; L396-Y401 HydrophobicContact CG-CD2 3.67Å; L396-Y401 HydrophobicContact CG-CE2 4.38Å; L396-Y401 HydrophobicContact CG-CG 3.85Å |
| 397 | D | 93.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 55.9 Ų | 55.9 | 38% | 0.38 | 29% | 0.286 | S | S | . | . | trans | -55 | 120.1 | -174.1 | -176.8 | -7.9 | 0 | 0 | 0 | 112.3 | K395 K399 H400 Y401 | K395-D397 PolarHBondContact O-N 3.44Å; D397-K399 PolarHBondContact O-N 3.48Å; D397-K399 WeakPolarHBondContact OD1-CB 3.49Å; D397-K399 PolarHBondContact OD1-N 2.99Å; D397-H400 PolarHBondContact O-N 3.33Å; D397-H400 IonicContact OD2-CE1 2.66Å; D397-H400 PolarHBondContact OD2-CE1 2.88Å; D397-H400 IonicContact OD2-CG 3.63Å; D397-H400 IonicContact OD2-ND1 2.79Å; D397-H400 PolarHBondContact OD2-ND1 3.5Å; D397-Y401 WeakPolarHBondContact O-CA 3.49Å; D397-Y401 WeakPolarHBondContact O-CB 3.29Å; D397-Y401 PolarHBondContact O-N 3.15Å | ||
| 398 | T | 94.1 | Very high | 88.9 | Confident | 89 Ų | 89 | 59.9 Ų | 59.9 | 55% | 0.546 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | -15.2 | 179.9 | 55 | 0 | 0 | 0 | 0 | 113.8 | L396 P402 Y403 | L396-T398 PolarHBondContact O-N 3.39Å; T398-P402 WeakPolarHBondContact O-CA 3.45Å; T398-P402 WeakPolarHBondContact O-CB 3.38Å; T398-Y403 HydrophobicContact CG2-CE2 4.26Å |
| 399 | K | 92.7 | Very high | 86.2 | Confident | 167 Ų | 167 | 65 Ų | 65 | 73% | 0.726 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -43.6 | 173.3 | -176.1 | -175.9 | 173.9 | -172.8 | 0 | 111.3 | D397 | D397-K399 PolarHBondContact O-N 3.48Å; D397-K399 WeakPolarHBondContact OD1-CB 3.49Å; D397-K399 PolarHBondContact OD1-N 2.99Å |
| 400 | H | 93.3 | Very high | 83.4 | Confident | 70 Ų | 70 | 66.7 Ų | 66.7 | 32% | 0.324 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -29.8 | 178.4 | -63 | 111.6 | 0 | 0 | 0 | 112.1 | R94 G95 D397 P402 | R94-H400 WeakPolarHBondContact CA-O 3.45Å; G95-H400 PolarHBondContact N-O 2.83Å; D397-H400 PolarHBondContact O-N 3.33Å; D397-H400 IonicContact OD2-CE1 2.66Å; D397-H400 PolarHBondContact OD2-CE1 2.88Å; D397-H400 IonicContact OD2-CG 3.63Å; D397-H400 IonicContact OD2-ND1 2.79Å; D397-H400 PolarHBondContact OD2-ND1 3.5Å; H400-P402 VanDerWaalsContact C-CD 3.42Å; H400-P402 WeakPolarHBondContact O-CD 3.48Å |
| 401 | Y | 96.8 | Very high | 80.7 | Confident | 3 Ų | 3 | 67.9 Ų | 67.9 | 1% | 0.012 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -126.2 | 65.7 | 179.7 | -58.2 | -89.4 | 0 | 0 | 0 | 111.6 | R92 Y93 R94 I133 L135 M364 I387 L396 D397 | R92-Y401 PolarHBondContact NE-O 3.42Å; R92-Y401 PolarHBondContact NH2-O 2.66Å; Y93-Y401 VanDerWaalsContact O-CA 3.28Å; Y93-Y401 WeakPolarHBondContact O-CA 3.31Å; R94-Y401 HydrophobicContact CB-CD1 4.08Å; R94-Y401 HydrophobicContact CB-CE1 3.78Å; R94-Y401 HydrophobicContact CG-CE1 4Å; I133-Y401 HydrophobicContact CG2-CD1 4.37Å; L135-Y401 HydrophobicContact CD2-CD1 4.33Å; L135-Y401 HydrophobicContact CD2-CE1 3.7Å; M364-Y401 HydrophobicContact CE-CE2 4.08Å; I387-Y401 HydrophobicContact CD1-CE1 4.27Å; I387-Y401 WeakPolarHBondContact CD1-OH 3.23Å; L396-Y401 HydrophobicContact CD1-CD2 3.57Å; L396-Y401 HydrophobicContact CD1-CE2 3.76Å; L396-Y401 HydrophobicContact CD1-CG 4.11Å; L396-Y401 HydrophobicContact CD2-CD1 4.16Å; L396-Y401 HydrophobicContact CD2-CD2 4.05Å; L396-Y401 HydrophobicContact CD2-CG 3.72Å; L396-Y401 HydrophobicContact CG-CD2 3.67Å; L396-Y401 HydrophobicContact CG-CE2 4.38Å; L396-Y401 HydrophobicContact CG-CG 3.85Å; D397-Y401 WeakPolarHBondContact O-CA 3.49Å; D397-Y401 WeakPolarHBondContact O-CB 3.29Å; D397-Y401 PolarHBondContact O-N 3.15Å |
| 402 | P | 97.1 | Very high | 78.2 | Confident | 26 Ų | 26 | 72.6 Ų | 72.6 | 17% | 0.169 | 40% | 0.403 | C | S | . | . | trans | -62.8 | 159.3 | 178.8 | 27.7 | -38.1 | 0 | 0 | 0 | 113 | R92 Y93 T398 H400 | R92-P402 VanDerWaalsContact CA-O 3.23Å; R92-P402 WeakPolarHBondContact CA-O 3.44Å; Y93-P402 HydrophobicContact CD1-CG 4.32Å; Y93-P402 HydrophobicContact CD2-CG 4.25Å; Y93-P402 HydrophobicContact CE1-CB 4.3Å; Y93-P402 HydrophobicContact CE1-CG 3.74Å; Y93-P402 HydrophobicContact CE2-CG 3.66Å; Y93-P402 PolarHBondContact N-O 3.36Å; Y93-P402 VanDerWaalsContact O-CD 3.3Å; Y93-P402 WeakPolarHBondContact O-CD 3.46Å; T398-P402 WeakPolarHBondContact O-CA 3.45Å; T398-P402 WeakPolarHBondContact O-CB 3.38Å; H400-P402 VanDerWaalsContact C-CD 3.42Å; H400-P402 WeakPolarHBondContact O-CD 3.48Å | ||
| 403 | Y | 96.1 | Very high | 75.3 | Confident | 47 Ų | 47 | 76.4 Ų | 76.4 | 18% | 0.184 | 43% | 0.431 | C | S | . | . | B | Isolated β-bridge | trans | -89.2 | 149.5 | 167.9 | -67.5 | -89.7 | 0 | 0 | 0 | 110.3 | A90 V91 R92 Q131 T398 S405 | A90-Y403 HydrophobicContact CB-CD1 3.91Å; A90-Y403 HydrophobicContact CB-CE1 3.68Å; V91-Y403 WeakPolarHBondContact O-CA 3.33Å; R92-Y403 VanDerWaalsContact CD-CE1 3.42Å; R92-Y403 VanDerWaalsContact CD-CZ 3.49Å; R92-Y403 HydrophobicContact CG-CD1 3.35Å; R92-Y403 HydrophobicContact CG-CD2 4.41Å; R92-Y403 HydrophobicContact CG-CE1 3.31Å; R92-Y403 HydrophobicContact CG-CE2 4.39Å; R92-Y403 HydrophobicContact CG-CG 3.93Å; R92-Y403 PolarHBondContact NH1-OH 3.3Å; Q131-Y403 PolarHBondContact OE1-OH 3.42Å; T398-Y403 HydrophobicContact CG2-CE2 4.26Å; Y403-S405 WeakPolarHBondContact CB-O 3.4Å |
| 404 | I | 92.9 | Very high | 72.6 | Confident | 37 Ų | 37 | 79.3 Ų | 79.3 | 19% | 0.19 | 45% | 0.451 | C | S | . | . | S | Bend | trans | -72 | -52.1 | 170.8 | -70.1 | -68.9 | 0 | 0 | 0 | 110.9 | V91 Y93 A104 Q105 Q108 | V91-I404 HydrophobicContact CG1-CG1 4.33Å; V91-I404 PolarHBondContact O-N 2.67Å; Y93-I404 HydrophobicContact CD1-CD1 3.75Å; Y93-I404 HydrophobicContact CD1-CG1 3.97Å; Y93-I404 HydrophobicContact CE1-CD1 3.46Å; Y93-I404 VanDerWaalsContact CE1-CD1 3.46Å; Y93-I404 HydrophobicContact CE1-CG1 4.02Å; A104-I404 HydrophobicContact CB-CD1 3.73Å; A104-I404 HydrophobicContact CB-CG1 3.58Å; Q105-I404 HydrophobicContact CB-CD1 4.39Å; Q105-I404 VanDerWaalsContact OE1-CG2 3.29Å; Q108-I404 HydrophobicContact CB-CG2 4.01Å; Q108-I404 HydrophobicContact CG-CG2 4.01Å |
| 405 | S | 84.1 | Confident | 69.6 | Low | 60 Ų | 60 | 81.9 Ų | 81.9 | 42% | 0.42 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -102 | 144.2 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 110.5 | Y403 R407 | Y403-S405 WeakPolarHBondContact CB-O 3.4Å; S405-R407 PolarHBondContact O-N 3.27Å |
| 406 | T | 61.9 | Low | 66.8 | Low | 145 Ų | 145 | 80 Ų | 80 | 89% | 0.89 | 48% | 0.48 | S | S | * | . | P | Polyproline II helix | trans | -62 | 122.2 | 176.2 | 32.6 | 0 | 0 | 0 | 0 | 109.9 | S408 | T406-S408 PolarHBondContact O-N 3.32Å; T406-S408 VanDerWaalsContact O-N 3.12Å |
| 407 | R | 54.3 | Low | 64.1 | Low | 75 Ų | 75 | 86.2 Ų | 86.2 | 28% | 0.283 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 117 | 173.5 | -160.7 | 178.3 | -169.1 | 177.1 | 5.5 | 107.5 | D394 S405 S409 F412 | D394-R407 IonicContact OD1-CZ 3.02Å; D394-R407 IonicContact OD1-NH1 3.78Å; D394-R407 PolarHBondContact OD1-NH1 3.03Å; D394-R407 IonicContact OD1-NH2 3.18Å; D394-R407 PolarHBondContact OD1-NH2 3.45Å; D394-R407 IonicContact OD2-NH2 3.89Å; S405-R407 PolarHBondContact O-N 3.27Å; R407-S409 PolarHBondContact O-N 2.98Å; R407-F412 VanDerWaalsContact CZ-CE2 3.49Å; R407-F412 VanDerWaalsContact CZ-CZ 3.47Å; R407-F412 VanDerWaalsContact NH2-CZ 3.27Å |
| 408 | S | 45 | Very low | 61.5 | Low | 87 Ų | 87 | 87 Ų | 87 | 61% | 0.608 | 53% | 0.529 | S | S | * | . | trans | -64.6 | 106.1 | 169.4 | 38 | 0 | 0 | 0 | 0 | 107.6 | T406 A410 S411 | T406-S408 PolarHBondContact O-N 3.32Å; T406-S408 VanDerWaalsContact O-N 3.12Å; S408-A410 PolarHBondContact O-N 3.45Å; S408-S411 PolarHBondContact O-N 3.39Å; S408-S411 PolarHBondContact O-OG 2.84Å | ||
| 409 | S | 42 | Very low | 58.9 | Low | 108 Ų | 108 | 87.8 Ų | 87.8 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | G | 310 helix | trans | -59.2 | -5.4 | 179.4 | 48.3 | 0 | 0 | 0 | 0 | 114.2 | R407 S411 | R407-S409 PolarHBondContact O-N 2.98Å; S409-S411 VanDerWaalsContact C-N 3.34Å; S409-S411 PolarHBondContact O-N 2.91Å |
| 410 | A | 37.8 | Very low | 56.4 | Low | 80 Ų | 80 | 90.4 Ų | 90.4 | 66% | 0.661 | 55% | 0.55 | S | S | * | . | G | 310 helix | trans | -74.8 | -13 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | S408 | S408-A410 PolarHBondContact O-N 3.45Š|
| 411 | S | 40.9 | Very low | 53.6 | Low | 62 Ų | 62 | 97.7 Ų | 97.7 | 43% | 0.434 | 58% | 0.576 | S | S | . | * | G | 310 helix | trans | -85.5 | -4.8 | -175.4 | 48.2 | 0 | 0 | 0 | 0 | 115 | S408 S409 | S408-S411 PolarHBondContact O-N 3.39Å; S408-S411 PolarHBondContact O-OG 2.84Å; S409-S411 VanDerWaalsContact C-N 3.34Å; S409-S411 PolarHBondContact O-N 2.91Å |
| 412 | F | 43.6 | Very low | 50.6 | Low | 100 Ų | 100 | 101 Ų | 101 | 44% | 0.439 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -91.7 | 3.7 | 178 | -78.8 | -79.7 | 0 | 0 | 0 | 114.9 | R407 T414 | R407-F412 VanDerWaalsContact CZ-CE2 3.49Å; R407-F412 VanDerWaalsContact CZ-CZ 3.47Å; R407-F412 VanDerWaalsContact NH2-CZ 3.27Å; F412-T414 VanDerWaalsContact C-N 3.31Å; F412-T414 PolarHBondContact O-N 2.96Å |
| 413 | S | 34.7 | Very low | 47.8 | Very low | 89 Ų | 89 | 109.1 Ų | 109.1 | 62% | 0.622 | 65% | 0.646 | S | S | * | * | trans | -67.8 | 98.2 | 168.9 | 71.7 | 0 | 0 | 0 | 0 | 108.2 | T415 | S413-T415 PolarHBondContact O-N 3.29Š| ||
| 414 | T | 38 | Very low | 45.3 | Very low | 138 Ų | 138 | 117.5 Ų | 117.5 | 85% | 0.847 | 68% | 0.678 | S | S | * | * | trans | -61.2 | 91.2 | 160.6 | 44.3 | 0 | 0 | 0 | 0 | 106.6 | F412 A416 | F412-T414 VanDerWaalsContact C-N 3.31Å; F412-T414 PolarHBondContact O-N 2.96Å; T414-A416 VanDerWaalsContact C-N 3.28Å; T414-A416 PolarHBondContact O-N 3.27Å | ||
| 415 | T | 33.1 | Very low | 42.7 | Very low | 119 Ų | 119 | 123.9 Ų | 123.9 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | -62.4 | 102.1 | 162.8 | 4.9 | 0 | 0 | 0 | 0 | 105.3 | S413 V417 | S413-T415 PolarHBondContact O-N 3.29Å; T415-V417 WeakPolarHBondContact O-CG2 3.49Å; T415-V417 PolarHBondContact O-N 2.98Å | ||
| 416 | A | 35 | Very low | 40.5 | Very low | 98 Ų | 98 | 130.4 Ų | 130.4 | 81% | 0.81 | 73% | 0.727 | S | S | * | * | trans | -55.4 | 103.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 108 | T414 S418 | T414-A416 VanDerWaalsContact C-N 3.28Å; T414-A416 PolarHBondContact O-N 3.27Å; A416-S418 PolarHBondContact O-N 3.19Å | ||
| 417 | V | 40.2 | Very low | 39.1 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 84% | 0.842 | 73% | 0.727 | S | S | * | * | trans | -73 | 104.7 | 176.7 | -163.1 | 0 | 0 | 0 | 0 | 106.3 | T415 A419 | T415-V417 WeakPolarHBondContact O-CG2 3.49Å; T415-V417 PolarHBondContact O-N 2.98Å; V417-A419 PolarHBondContact O-N 2.92Å | ||
| 418 | S | 37 | Very low | 38.2 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 61% | 0.608 | 76% | 0.756 | S | S | * | * | trans | -50.3 | 119.9 | 176.7 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | A416 R420 | A416-S418 PolarHBondContact O-N 3.19Å; S418-R420 PolarHBondContact O-N 3.15Å; S418-R420 PolarHBondContact OG-N 3.42Å | ||
| 419 | A | 39.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 139.2 Ų | 139.2 | 88% | 0.876 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 15 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V417 | V417-A419 PolarHBondContact O-N 2.92Š|
| 420 | R | 40.6 | Very low | 37.3 | Very low | 223 Ų | 223 | 140.6 Ų | 140.6 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | 11 | -171.3 | -63.9 | -168.2 | -157.3 | -157.6 | 4.8 | 116 | S418 | S418-R420 PolarHBondContact O-N 3.15Å; S418-R420 PolarHBondContact OG-N 3.42Å |
| 421 | Y | 34 | Very low | 37.3 | Very low | 223 Ų | 223 | 139.9 Ų | 139.9 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -127.9 | 97 | 171.9 | -131.9 | -99 | 0 | 0 | 0 | 113.7 | ||
| 422 | G | 34.5 | Very low | 37.4 | Very low | 72 Ų | 72 | 144.3 Ų | 144.3 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 2.7 | 109.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | W424 | G422-W424 VanDerWaalsContact C-N 3.34Å; G422-W424 PolarHBondContact O-N 3.2Å | ||
| 423 | H | 39.1 | Very low | 37.5 | Very low | 197 Ų | 197 | 149.8 Ų | 149.8 | 91% | 0.912 | 80% | 0.802 | S | S | * | * | trans | -82.7 | 53.9 | 165.8 | -105.3 | 73.5 | 0 | 0 | 0 | 112.8 | ||||
| 424 | W | 43.3 | Very low | 38.4 | Very low | 223 Ų | 223 | 155.8 Ų | 155.8 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | trans | -93.3 | -18.4 | -176.5 | -160.9 | -77.8 | 0 | 0 | 0 | 115.1 | G422 | G422-W424 VanDerWaalsContact C-N 3.34Å; G422-W424 PolarHBondContact O-N 3.2Å | ||
| 425 | H | 38.1 | Very low | 39.6 | Very low | 171 Ų | 171 | 151.8 Ų | 151.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -130.5 | 85.3 | -179.1 | -70.4 | -77.3 | 0 | 0 | 0 | 112.1 | ||
| 426 | K | 37.1 | Very low | 41.9 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | trans | -159 | 97.3 | 147.3 | -104 | 173.9 | -169 | -171.6 | 0 | 107.3 | K428 | K426-K428 PolarHBondContact O-N 3.09Š| ||
| 427 | N | 33.4 | Very low | 44.8 | Very low | 166 Ų | 166 | 142 Ų | 142 | 89% | 0.888 | 72% | 0.719 | S | S | * | * | trans | -54.4 | 123.2 | 166.3 | -78.4 | -19.3 | 0 | 0 | 0 | 107.8 | T429 | N427-T429 PolarHBondContact O-N 3.33Å; N427-T429 VanDerWaalsContact O-N 3.17Å | ||
| 428 | K | 36.2 | Very low | 47.5 | Very low | 206 Ų | 206 | 136.5 Ų | 136.5 | 90% | 0.896 | 68% | 0.683 | S | S | * | * | trans | -63.3 | 112.2 | 177.1 | -70.6 | 177.8 | 176.4 | 179.6 | 0 | 108.9 | K426 | K426-K428 PolarHBondContact O-N 3.09Š| ||
| 429 | T | 32 | Very low | 50.4 | Low | 120 Ų | 120 | 132.3 Ų | 132.3 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | trans | -72.1 | 126.6 | 156.3 | 22.7 | 0 | 0 | 0 | 0 | 108.2 | N427 G431 | N427-T429 PolarHBondContact O-N 3.33Å; N427-T429 VanDerWaalsContact O-N 3.17Å; T429-G431 PolarHBondContact O-N 2.69Å | ||
| 430 | P | 35.8 | Very low | 53.2 | Low | 136 Ų | 136 | 127.3 Ų | 127.3 | 88% | 0.883 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 109.3 | 170.4 | 24 | -19.8 | 0 | 0 | 0 | 108 | ||
| 431 | G | 38 | Very low | 56 | Low | 65 Ų | 65 | 116.7 Ų | 116.7 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 168.3 | -24.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | T429 Y433 | T429-G431 PolarHBondContact O-N 2.69Å; G431-Y433 PolarHBondContact O-N 2.92Å |
| 432 | E | 41.4 | Very low | 59.1 | Low | 155 Ų | 155 | 106 Ų | 106 | 72% | 0.724 | 53% | 0.53 | S | S | * | . | trans | -86.4 | 89 | 170.8 | -80.6 | -179.5 | 175.6 | 0 | 0 | 109.5 | R434 | E432-R434 VanDerWaalsContact C-N 3.26Å; E432-R434 PolarHBondContact O-N 2.98Å | ||
| 433 | Y | 46.8 | Very low | 62.1 | Low | 215 Ų | 215 | 102.6 Ų | 102.6 | 84% | 0.843 | 50% | 0.495 | S | S | * | . | trans | -59.6 | 98.9 | 154.6 | -78.2 | -88.5 | 0 | 0 | 0 | 106.5 | G431 T435 | G431-Y433 PolarHBondContact O-N 2.92Å; Y433-T435 PolarHBondContact O-N 3.31Å | ||
| 434 | R | 53.3 | Low | 65 | Low | 216 Ų | 216 | 93.2 Ų | 93.2 | 82% | 0.815 | 45% | 0.451 | S | S | * | . | trans | -70.3 | 86.4 | 170.3 | -73.8 | -173.8 | -177 | 173.6 | 0 | 107.4 | E432 | E432-R434 VanDerWaalsContact C-N 3.26Å; E432-R434 PolarHBondContact O-N 2.98Å | ||
| 435 | T | 63.3 | Low | 67.5 | Low | 54 Ų | 54 | 82.6 Ų | 82.6 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | trans | -71.4 | 126.2 | 165.6 | 49 | 0 | 0 | 0 | 0 | 106.6 | Y433 R438 E466 | Y433-T435 PolarHBondContact O-N 3.31Å; T435-R438 PolarHBondContact OG1-NH2 3.4Å; T435-E466 WeakPolarHBondContact CB-OE2 3.29Å; T435-E466 WeakPolarHBondContact CG2-OE2 3.29Å | ||
| 436 | G | 82.3 | Confident | 70.3 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 11% | 0.113 | 37% | 0.373 | C | S | . | . | trans | -68.7 | -156.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | K464 | G436-K464 VanDerWaalsContact CA-O 3.3Å; G436-K464 WeakPolarHBondContact CA-O 3.47Å | ||
| 437 | P | 94.3 | Very high | 73.2 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -59.2 | 146.1 | 176.9 | -16.2 | 27.5 | 0 | 0 | 0 | 111.5 | D126 R129 W465 E466 | D126-P437 HydrophobicContact CB-CG 4.21Å; D126-P437 WeakPolarHBondContact O-CA 3.32Å; D126-P437 WeakPolarHBondContact O-CB 3.31Å; R129-P437 HydrophobicContact CB-CB 3.91Å; R129-P437 HydrophobicContact CB-CG 4.11Å; R129-P437 VanDerWaalsContact NH1-CG 3.34Å; P437-W465 HydrophobicContact CB-CD2 3.71Å; P437-W465 HydrophobicContact CB-CE3 3.62Å; P437-W465 HydrophobicContact CB-CG 4.46Å; P437-W465 HydrophobicContact CB-CH2 3.86Å; P437-W465 HydrophobicContact CB-CZ2 3.97Å; P437-W465 HydrophobicContact CB-CZ3 3.68Å; P437-W465 HydrophobicContact CG-CD2 4.19Å; P437-W465 HydrophobicContact CG-CZ2 4.3Å; P437-W465 WeakPolarHBondContact O-CA 3.3Å; P437-E466 PolarHBondContact O-N 3.02Å |
| 438 | R | 96.9 | Very high | 76.3 | Confident | 23 Ų | 23 | 57.5 Ų | 57.5 | 9% | 0.087 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 134.5 | -178.9 | -70.3 | -177.6 | 167.5 | -176.4 | -13 | 112.2 | L85 E87 S130 Q131 T435 E466 | L85-R438 VanDerWaalsContact CB-NH1 3.33Å; E87-R438 WeakPolarHBondContact OE1-CD 3.37Å; S130-R438 CarbonylContact C-O 3.53Å; S130-R438 WeakPolarHBondContact CA-O 3.42Å; S130-R438 WeakPolarHBondContact CB-O 3.41Å; S130-R438 PolarHBondContact OG-N 2.87Å; S130-R438 VanDerWaalsContact OG-N 3.13Å; Q131-R438 PolarHBondContact N-O 3.29Å; T435-R438 PolarHBondContact OG1-NH2 3.4Å; R438-E466 CarbonylContact C-O 3.6Å; R438-E466 VanDerWaalsContact CA-O 3.31Å; R438-E466 WeakPolarHBondContact CA-O 3.42Å; R438-E466 HydrophobicContact CG-CB 4.27Å; R438-E466 IonicContact CZ-OE2 2.88Å; R438-E466 IonicContact NE-OE2 2.69Å; R438-E466 PolarHBondContact NE-OE2 3.42Å; R438-E466 IonicContact NH2-OE1 3.85Å; R438-E466 IonicContact NH2-OE2 3.26Å; R438-E466 PolarHBondContact NH2-OE2 2.93Å |
| 439 | L | 98.4 | Very high | 79.3 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 106.7 | 166 | 177.3 | 66.9 | 0 | 0 | 0 | 108.5 | Q131 I133 M388 A391 I392 V441 W465 E466 A467 I468 | Q131-L439 HydrophobicContact CB-CD1 3.83Å; I133-L439 HydrophobicContact CD1-CD1 3.77Å; I133-L439 HydrophobicContact CG1-CD1 4.05Å; M388-L439 HydrophobicContact CB-CD2 3.78Å; M388-L439 HydrophobicContact CG-CD2 3.83Å; M388-L439 WeakPolarHBondContact O-CD2 3.4Å; A391-L439 HydrophobicContact CB-CD1 3.87Å; A391-L439 HydrophobicContact CB-CD2 3.96Å; I392-L439 HydrophobicContact CD1-CD2 4.24Å; I392-L439 HydrophobicContact CG1-CB 4.42Å; I392-L439 HydrophobicContact CG1-CD2 4.07Å; L439-V441 HydrophobicContact CG-CG2 4.42Å; L439-W465 HydrophobicContact CB-CE3 4.22Å; L439-W465 HydrophobicContact CB-CZ3 4.44Å; L439-E466 PolarHBondContact N-O 3.42Å; L439-A467 CarbonylContact O-C 3.58Å; L439-A467 VanDerWaalsContact O-CA 3.3Å; L439-A467 WeakPolarHBondContact O-CA 3.29Å; L439-I468 PolarHBondContact O-N 3Å |
| 440 | M | 98.7 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 136 | 174.7 | -66.8 | 164.5 | -78.2 | 0 | 0 | 109.7 | E87 P89 Q131 L132 I133 I468 | E87-M440 HydrophobicContact CB-CE 3.97Å; E87-M440 HydrophobicContact CG-CE 4.22Å; P89-M440 HydrophobicContact CB-CE 3.47Å; P89-M440 VanDerWaalsContact CB-CE 3.47Å; P89-M440 HydrophobicContact CG-CE 3.51Å; Q131-M440 PolarHBondContact O-N 3.04Å; L132-M440 CarbonylContact C-O 3.57Å; L132-M440 VanDerWaalsContact CA-O 3.29Å; L132-M440 WeakPolarHBondContact CA-O 3.38Å; L132-M440 HydrophobicContact CB-CB 4.37Å; L132-M440 HydrophobicContact CD1-CB 3.61Å; I133-M440 PolarHBondContact N-O 3.37Å; M440-I468 CarbonylContact C-O 3.53Å; M440-I468 VanDerWaalsContact CA-O 3.31Å; M440-I468 WeakPolarHBondContact CA-O 3.23Å; M440-I468 HydrophobicContact CG-CB 4.29Å |
| 441 | V | 98.8 | Very high | 85.5 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 130 | 177 | 173.2 | 0 | 0 | 0 | 0 | 108.6 | Y47 I133 L135 I384 M388 L439 I443 I468 I469 G470 | Y47-V441 PolarHBondContact OH-O 3.26Å; I133-V441 WeakPolarHBondContact O-CA 3.2Å; L135-V441 HydrophobicContact CD1-CG1 3.9Å; I384-V441 HydrophobicContact CD1-CG1 3.66Å; I384-V441 HydrophobicContact CD1-CG2 4.27Å; I384-V441 HydrophobicContact CG1-CG1 4.3Å; M388-V441 HydrophobicContact CE-CB 4.14Å; M388-V441 HydrophobicContact CE-CG2 3.72Å; M388-V441 HydrophobicContact CG-CG2 4.13Å; L439-V441 HydrophobicContact CG-CG2 4.42Å; V441-I443 HydrophobicContact CG1-CG1 4.23Å; V441-I468 PolarHBondContact N-O 2.68Å; V441-I469 HydrophobicContact CB-CG1 4.24Å; V441-I469 HydrophobicContact CG1-CG1 4.17Å; V441-I469 CarbonylContact O-C 3.49Å; V441-I469 WeakPolarHBondContact O-CA 3.49Å; V441-G470 PolarHBondContact O-N 3.44Å |
| 442 | F | 98.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.1 | 171.9 | -175.8 | -112.2 | 0 | 0 | 0 | 111.3 | Y47 L49 L74 L78 L103 I133 I134 L135 I444 G470 S471 T472 | Y47-F442 AromaticContact CE2-CD2 3.93Å; Y47-F442 HydrophobicContact CE2-CD2 3.93Å; Y47-F442 HydrophobicContact CE2-CE2 4.46Å; Y47-F442 WeakPolarHBondContact OH-CB 3.38Å; L49-F442 HydrophobicContact CD1-CD2 4.37Å; L49-F442 HydrophobicContact CD1-CE2 3.38Å; L49-F442 HydrophobicContact CD1-CZ 3.54Å; L49-F442 HydrophobicContact CG-CE2 3.85Å; L49-F442 HydrophobicContact CG-CZ 4.4Å; L74-F442 HydrophobicContact CD1-CE1 4.36Å; L74-F442 HydrophobicContact CD1-CZ 4.28Å; L78-F442 HydrophobicContact CD1-CB 4.37Å; L78-F442 HydrophobicContact CD1-CD1 3.7Å; L78-F442 HydrophobicContact CD1-CD2 4.36Å; L78-F442 HydrophobicContact CD1-CE1 4Å; L78-F442 HydrophobicContact CD1-CG 3.87Å; L78-F442 HydrophobicContact CD1-CZ 4.44Å; L78-F442 HydrophobicContact CD2-CB 4.07Å; L78-F442 HydrophobicContact CD2-CD1 4.4Å; L78-F442 HydrophobicContact CD2-CD2 3.6Å; L78-F442 HydrophobicContact CD2-CE2 4.07Å; L78-F442 HydrophobicContact CD2-CG 3.76Å; L78-F442 HydrophobicContact CG-CD2 4.44Å; L78-F442 HydrophobicContact CG-CG 4.4Å; L103-F442 HydrophobicContact CD2-CD1 4.06Å; L103-F442 HydrophobicContact CD2-CE1 3.81Å; I133-F442 PolarHBondContact O-N 3.21Å; I134-F442 WeakPolarHBondContact CA-O 3.26Å; I134-F442 HydrophobicContact CG2-CD1 4.49Å; L135-F442 PolarHBondContact N-O 2.73Å; F442-I444 HydrophobicContact CD1-CG1 4.23Å; F442-I444 HydrophobicContact CE1-CG1 3.85Å; F442-G470 CarbonylContact C-O 3.51Å; F442-G470 WeakPolarHBondContact CA-O 3.43Å; F442-S471 VanDerWaalsContact CE2-C 3.41Å; F442-T472 HydrophobicContact CZ-CG2 3.86Å |
| 443 | I | 98.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 120.8 | 175 | -54 | 166.7 | 0 | 0 | 0 | 109.3 | L135 F139 V441 G445 G446 A447 I469 G470 S471 | L135-I443 HydrophobicContact CB-CG1 4.28Å; L135-I443 HydrophobicContact CD1-CG1 4.26Å; L135-I443 CarbonylContact O-C 3.23Å; L135-I443 WeakPolarHBondContact O-CA 3.23Å; F139-I443 HydrophobicContact CE1-CD1 3.88Å; F139-I443 HydrophobicContact CE1-CG1 4.14Å; F139-I443 HydrophobicContact CE1-CG2 4.07Å; F139-I443 HydrophobicContact CZ-CD1 4.03Å; V441-I443 HydrophobicContact CG1-CG1 4.23Å; I443-G445 PolarHBondContact O-N 3.24Å; I443-G446 WeakPolarHBondContact CG2-O 3.47Å; I443-A447 HydrophobicContact CD1-CB 4.25Å; I443-I469 HydrophobicContact CD1-CD1 4.11Å; I443-G470 PolarHBondContact N-O 3.38Å; I443-S471 VanDerWaalsContact O-CA 3.26Å; I443-S471 WeakPolarHBondContact O-CA 3.08Å; I443-S471 WeakPolarHBondContact O-CB 3.45Å; I443-S471 PolarHBondContact O-OG 3.29Å; I443-S471 VanDerWaalsContact O-OG 3.12Å |
| 444 | I | 98.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.6 | 171.7 | -54.7 | 170.2 | 0 | 0 | 0 | 107.9 | F58 Y59 N100 L103 I134 L135 R137 F442 | F58-I444 HydrophobicContact CB-CG2 4.27Å; F58-I444 HydrophobicContact CD1-CD1 4.47Å; F58-I444 HydrophobicContact CD1-CG2 3.67Å; F58-I444 HydrophobicContact CD2-CG2 3.79Å; F58-I444 HydrophobicContact CE1-CD1 3.92Å; F58-I444 HydrophobicContact CE1-CG2 3.79Å; F58-I444 HydrophobicContact CE2-CG2 3.89Å; F58-I444 HydrophobicContact CG-CG2 3.63Å; F58-I444 HydrophobicContact CZ-CD1 4.37Å; F58-I444 HydrophobicContact CZ-CG2 3.86Å; Y59-I444 PolarHBondContact OH-O 3Å; Y59-I444 VanDerWaalsContact OH-O 3.09Å; N100-I444 WeakPolarHBondContact OD1-CD1 3.39Å; L103-I444 HydrophobicContact CD2-CD1 3.68Å; L103-I444 HydrophobicContact CD2-CG1 3.86Å; I134-I444 HydrophobicContact CG2-CD1 4.26Å; L135-I444 PolarHBondContact O-N 3.34Å; R137-I444 WeakPolarHBondContact CB-O 3.37Å; R137-I444 PolarHBondContact N-O 3.34Å; R137-I444 VanDerWaalsContact N-O 3.09Å; F442-I444 HydrophobicContact CD1-CG1 4.23Å; F442-I444 HydrophobicContact CE1-CG1 3.85Å |
| 445 | G | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.8 | 28.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F55 I443 T472 | F55-G445 WeakPolarHBondContact CD2-O 3.28Å; I443-G445 PolarHBondContact O-N 3.24Å; G445-T472 PolarHBondContact N-OG1 2.87Å |
| 446 | G | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.02 | C | C | . | . | trans | 108.3 | 141.6 | 167 | 0 | 0 | 0 | 0 | 0 | 114.5 | R137 I443 S471 H473 F475 | R137-G446 VanDerWaalsContact CD-O 3.3Å; R137-G446 WeakPolarHBondContact CD-O 3.28Å; R137-G446 PolarHBondContact NH1-O 2.98Å; I443-G446 WeakPolarHBondContact CG2-O 3.47Å; G446-S471 WeakPolarHBondContact CA-OG 3.33Å; G446-S471 PolarHBondContact N-OG 2.91Å; G446-H473 VanDerWaalsContact CA-O 3.28Å; G446-H473 WeakPolarHBondContact CA-O 3.34Å; G446-F475 VanDerWaalsContact CA-CD1 3.46Å; G446-F475 VanDerWaalsContact CA-CE1 3.41Å; G446-F475 WeakPolarHBondContact O-CE1 3.28Å | ||
| 447 | A | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 141.4 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | I443 S471 H473 I474 F475 | I443-A447 HydrophobicContact CD1-CB 4.25Å; A447-S471 PolarHBondContact N-OG 2.89Å; A447-S471 VanDerWaalsContact N-OG 3.16Å; A447-H473 PolarHBondContact N-O 3.19Å; A447-H473 VanDerWaalsContact N-O 3.12Å; A447-I474 HydrophobicContact CB-CD1 4.17Å; A447-F475 PolarHBondContact O-N 2.94Å |
| 448 | S | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 6.5 Ų | 6.5 | 5% | 0.049 | 3% | 0.03 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 159.2 | 174.4 | 78.1 | 0 | 0 | 0 | 0 | 111.7 | S450 E451 M452 | S448-S450 VanDerWaalsContact C-N 3.26Å; S448-S450 PolarHBondContact O-N 3.37Å; S448-S450 PolarHBondContact OG-OG 3.41Å; S448-E451 PolarHBondContact N-OE2 3.28Å; S448-E451 WeakPolarHBondContact O-CB 3.41Å; S448-E451 PolarHBondContact O-N 2.87Å; S448-E451 VanDerWaalsContact O-N 3.16Å; S448-E451 WeakPolarHBondContact OG-CG 2.98Å; S448-E451 PolarHBondContact OG-N 3.39Å; S448-M452 WeakPolarHBondContact O-CG 3.33Å; S448-M452 PolarHBondContact O-N 3.34Å |
| 449 | F | 98.8 | Very high | 98.2 | Very high | 12 Ų | 12 | 6.6 Ų | 6.6 | 5% | 0.053 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.7 | -29 | 176.1 | -70.6 | -76.1 | 0 | 0 | 0 | 113.8 | Y42 Q152 A153 Y156 M452 R453 I474 T476 | Y42-F449 HydrophobicContact CE1-CE1 4.31Å; Q152-F449 VanDerWaalsContact CD-CD1 3.47Å; Q152-F449 HydrophobicContact CG-CD1 3.5Å; Q152-F449 VanDerWaalsContact CG-CD1 3.5Å; Q152-F449 HydrophobicContact CG-CE1 3.85Å; Q152-F449 HydrophobicContact CG-CG 4.2Å; A153-F449 HydrophobicContact CB-CB 3.61Å; Y156-F449 HydrophobicContact CD1-CE1 4.33Å; Y156-F449 AromaticContact CD1-CE2 3.69Å; Y156-F449 HydrophobicContact CD1-CE2 3.69Å; Y156-F449 AromaticContact CD1-CZ 3.38Å; Y156-F449 HydrophobicContact CD1-CZ 3.38Å; Y156-F449 HydrophobicContact CD2-CE1 4.43Å; Y156-F449 HydrophobicContact CD2-CE2 4.46Å; Y156-F449 HydrophobicContact CD2-CZ 4.12Å; Y156-F449 HydrophobicContact CE1-CE1 4.42Å; Y156-F449 HydrophobicContact CE1-CE2 4.49Å; Y156-F449 AromaticContact CE1-CZ 3.73Å; Y156-F449 HydrophobicContact CE1-CZ 3.73Å; Y156-F449 HydrophobicContact CE2-CZ 4.43Å; Y156-F449 HydrophobicContact CG-CD2 4.43Å; Y156-F449 HydrophobicContact CG-CE1 4.31Å; Y156-F449 AromaticContact CG-CE2 3.66Å; Y156-F449 HydrophobicContact CG-CE2 3.66Å; Y156-F449 AromaticContact CG-CZ 3.58Å; Y156-F449 HydrophobicContact CG-CZ 3.58Å; F449-M452 HydrophobicContact CD1-CE 3.72Å; F449-M452 HydrophobicContact CD1-SD 3.68Å; F449-M452 HydrophobicContact CE1-CE 3.98Å; F449-M452 HydrophobicContact CE1-SD 4.11Å; F449-M452 HydrophobicContact CG-SD 4.32Å; F449-M452 PolarHBondContact O-N 2.82Å; F449-R453 PolarHBondContact O-N 3.49Å; F449-I474 HydrophobicContact CD1-CG2 4.42Å; F449-I474 HydrophobicContact CE1-CG2 3.93Å; F449-I474 HydrophobicContact CE2-CG2 4.03Å; F449-I474 HydrophobicContact CZ-CG2 3.71Å; F449-T476 HydrophobicContact CE2-CG2 4.19Å |
| 450 | S | 98.6 | Very high | 98 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.021 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -71.6 | -33.5 | 175 | 54.9 | 0 | 0 | 0 | 0 | 112.6 | E148 S448 R453 C454 | E148-S450 VanDerWaalsContact CD-CB 3.41Å; E148-S450 WeakPolarHBondContact OE1-CB 3.43Å; S448-S450 VanDerWaalsContact C-N 3.26Å; S448-S450 PolarHBondContact O-N 3.37Å; S448-S450 PolarHBondContact OG-OG 3.41Å; S450-R453 WeakPolarHBondContact O-CB 3.27Å; S450-C454 PolarHBondContact O-N 3.02Å; S450-C454 PolarHBondContact O-SG 3.42Å |
| 451 | E | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -69.9 | -40.7 | 172.5 | -67.1 | 174.7 | 142.5 | 0 | 0 | 111.6 | R137 F139 P382 I384 S448 R453 C454 I469 | R137-E451 IonicContact CZ-OE1 3.53Å; R137-E451 IonicContact CZ-OE2 2.84Å; R137-E451 IonicContact NH1-OE1 3.13Å; R137-E451 PolarHBondContact NH1-OE1 3.49Å; R137-E451 IonicContact NH1-OE2 2.71Å; R137-E451 PolarHBondContact NH1-OE2 3.48Å; R137-E451 IonicContact NH2-OE1 2.78Å; R137-E451 PolarHBondContact NH2-OE1 3.29Å; R137-E451 IonicContact NH2-OE2 3.8Å; F139-E451 VanDerWaalsContact CZ-OE1 3.23Å; F139-E451 WeakPolarHBondContact CZ-OE1 3.3Å; P382-E451 HydrophobicContact CB-CG 4.11Å; I384-E451 HydrophobicContact CG2-CB 3.85Å; I384-E451 HydrophobicContact CG2-CG 3.79Å; S448-E451 PolarHBondContact N-OE2 3.28Å; S448-E451 WeakPolarHBondContact O-CB 3.41Å; S448-E451 PolarHBondContact O-N 2.87Å; S448-E451 VanDerWaalsContact O-N 3.16Å; S448-E451 WeakPolarHBondContact OG-CG 2.98Å; S448-E451 PolarHBondContact OG-N 3.39Å; E451-R453 VanDerWaalsContact C-N 3.34Å; E451-R453 PolarHBondContact O-N 3.3Å; E451-C454 WeakPolarHBondContact O-CB 3.41Å; E451-C454 PolarHBondContact O-N 3.05Å; E451-C454 VanDerWaalsContact O-N 3.14Å; E451-I469 HydrophobicContact CB-CD1 3.97Å |
| 452 | M | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56 | -48.8 | 172.6 | -69.6 | 164.3 | 52.2 | 0 | 0 | 111.4 | Y42 E43 V46 S448 F449 C454 A455 Y456 I469 I474 | Y42-M452 HydrophobicContact CD1-CE 3.93Å; Y42-M452 HydrophobicContact CE1-CE 3.69Å; E43-M452 HydrophobicContact CG-CE 4.25Å; V46-M452 HydrophobicContact CB-CE 4.35Å; V46-M452 HydrophobicContact CG1-CE 4.05Å; V46-M452 HydrophobicContact CG1-CG 3.9Å; V46-M452 HydrophobicContact CG1-SD 4.17Å; V46-M452 HydrophobicContact CG2-CB 3.97Å; V46-M452 HydrophobicContact CG2-CE 3.93Å; V46-M452 HydrophobicContact CG2-CG 3.9Å; S448-M452 WeakPolarHBondContact O-CG 3.33Å; S448-M452 PolarHBondContact O-N 3.34Å; F449-M452 HydrophobicContact CD1-CE 3.72Å; F449-M452 HydrophobicContact CD1-SD 3.68Å; F449-M452 HydrophobicContact CE1-CE 3.98Å; F449-M452 HydrophobicContact CE1-SD 4.11Å; F449-M452 HydrophobicContact CG-SD 4.32Å; F449-M452 PolarHBondContact O-N 2.82Å; M452-C454 PolarHBondContact O-N 2.9Å; M452-A455 WeakPolarHBondContact O-CB 3.38Å; M452-A455 PolarHBondContact O-N 3.36Å; M452-A455 VanDerWaalsContact O-N 3.09Å; M452-Y456 WeakPolarHBondContact O-CD2 3.47Å; M452-I469 HydrophobicContact CG-CG2 4.46Å; M452-I474 HydrophobicContact SD-CD1 3.91Å; M452-I474 HydrophobicContact SD-CG1 4.32Å; M452-I474 HydrophobicContact SD-CG2 3.68Å |
| 453 | R | 98.7 | Very high | 96.8 | Very high | 17 Ų | 17 | 24.2 Ų | 24.2 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -52.7 | -40.7 | 175.8 | -176.1 | -175.7 | 73 | -131 | -3.5 | 112.4 | E148 T150 H195 F449 S450 E451 A455 Y456 E457 | E148-R453 IonicContact OE1-NH2 3.21Å; E148-R453 IonicContact OE2-CZ 2.78Å; E148-R453 IonicContact OE2-NH1 3.15Å; E148-R453 PolarHBondContact OE2-NH1 3.2Å; E148-R453 IonicContact OE2-NH2 2.66Å; T150-R453 PolarHBondContact OG1-NH1 3.23Å; H195-R453 HydrophobicContact CB-CG 3.9Å; F449-R453 PolarHBondContact O-N 3.49Å; S450-R453 WeakPolarHBondContact O-CB 3.27Å; E451-R453 VanDerWaalsContact C-N 3.34Å; E451-R453 PolarHBondContact O-N 3.3Å; R453-A455 VanDerWaalsContact C-N 3.27Å; R453-A455 PolarHBondContact O-N 3.15Å; R453-Y456 PolarHBondContact O-N 2.9Å; R453-Y456 VanDerWaalsContact O-N 3.13Å; R453-E457 VanDerWaalsContact CD-OE1 3.25Å; R453-E457 WeakPolarHBondContact CD-OE1 3.44Å; R453-E457 HydrophobicContact CG-CG 4.25Å; R453-E457 WeakPolarHBondContact CG-OE1 2.81Å; R453-E457 IonicContact NE-OE1 3.99Å; R453-E457 PolarHBondContact NE-OE1 2.82Å; R453-E457 WeakPolarHBondContact O-CG 3.49Å; R453-E457 PolarHBondContact O-N 3.35Å |
| 454 | C | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.9 | -34.1 | -178.8 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | I384 K385 S450 E451 M452 Y456 E457 V458 | I384-C454 HydrophobicContact CG2-CB 4.07Å; K385-C454 HydrophobicContact CB-CB 4Å; K385-C454 HydrophobicContact CG-CB 4.29Å; S450-C454 PolarHBondContact O-N 3.02Å; S450-C454 PolarHBondContact O-SG 3.42Å; E451-C454 WeakPolarHBondContact O-CB 3.41Å; E451-C454 PolarHBondContact O-N 3.05Å; E451-C454 VanDerWaalsContact O-N 3.14Å; M452-C454 PolarHBondContact O-N 2.9Å; C454-Y456 VanDerWaalsContact C-N 3.33Å; C454-Y456 PolarHBondContact O-N 2.93Å; C454-E457 PolarHBondContact O-N 3.03Å; C454-V458 WeakPolarHBondContact O-CB 3.44Å; C454-V458 VanDerWaalsContact O-CG2 3.25Å; C454-V458 WeakPolarHBondContact O-CG2 3.3Å; C454-V458 PolarHBondContact O-N 3.29Å |
| 455 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.5 | -41.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q45 M388 M452 R453 T459 A467 I469 | Q45-A455 PolarHBondContact NE2-O 3.26Å; Q45-A455 VanDerWaalsContact NE2-O 3.17Å; M388-A455 HydrophobicContact CE-CB 4Å; M388-A455 HydrophobicContact SD-CB 4.42Å; M452-A455 WeakPolarHBondContact O-CB 3.38Å; M452-A455 PolarHBondContact O-N 3.36Å; M452-A455 VanDerWaalsContact O-N 3.09Å; R453-A455 VanDerWaalsContact C-N 3.27Å; R453-A455 PolarHBondContact O-N 3.15Å; A455-T459 WeakPolarHBondContact O-CB 3.32Å; A455-T459 PolarHBondContact O-N 3.45Å; A455-T459 VanDerWaalsContact O-N 3.08Å; A455-T459 PolarHBondContact O-OG1 3.03Å; A455-A467 HydrophobicContact CB-CB 4.27Å; A455-I469 HydrophobicContact CB-CB 4.17Å; A455-I469 HydrophobicContact CB-CG2 3.7Å |
| 456 | Y | 98.4 | Very high | 96.4 | Very high | 11 Ų | 11 | 31.3 Ų | 31.3 | 4% | 0.043 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.4 | -45.6 | 175.6 | -64.9 | -85.9 | 0 | 0 | 0 | 112.1 | E43 S44 Q45 V46 R194 H195 M452 R453 C454 V458 T459 Q460 | E43-Y456 WeakPolarHBondContact CB-OH 3.23Å; E43-Y456 WeakPolarHBondContact OE2-CE2 3.24Å; E43-Y456 PolarHBondContact OE2-OH 3.04Å; S44-Y456 PolarHBondContact OG-OH 3.23Å; Q45-Y456 HydrophobicContact CB-CD1 4.31Å; Q45-Y456 HydrophobicContact CB-CE1 3.72Å; Q45-Y456 HydrophobicContact CB-CE2 4.24Å; Q45-Y456 HydrophobicContact CG-CD1 4.19Å; Q45-Y456 HydrophobicContact CG-CE1 3.79Å; Q45-Y456 PolarHBondContact N-OH 3.18Å; V46-Y456 HydrophobicContact CG2-CE2 4Å; R194-Y456 VanDerWaalsContact NH2-CE1 3.3Å; R194-Y456 PolarHBondContact NH2-OH 2.77Å; H195-Y456 AromaticContact CD2-CD2 3.76Å; H195-Y456 AromaticContact CD2-CG 3.82Å; H195-Y456 AromaticContact CE1-CD2 3.88Å; H195-Y456 AromaticContact CE1-CE2 3.99Å; H195-Y456 AromaticContact NE2-CD2 3.07Å; H195-Y456 WeakPolarHBondContact NE2-CD2 3.1Å; H195-Y456 AromaticContact NE2-CE2 3.31Å; H195-Y456 VanDerWaalsContact NE2-CE2 3.31Å; H195-Y456 WeakPolarHBondContact NE2-CE2 3.32Å; H195-Y456 AromaticContact NE2-CG 3.56Å; H195-Y456 AromaticContact NE2-CZ 3.99Å; M452-Y456 WeakPolarHBondContact O-CD2 3.47Å; R453-Y456 PolarHBondContact O-N 2.9Å; R453-Y456 VanDerWaalsContact O-N 3.13Å; C454-Y456 VanDerWaalsContact C-N 3.33Å; C454-Y456 PolarHBondContact O-N 2.93Å; Y456-V458 VanDerWaalsContact C-N 3.3Å; Y456-V458 PolarHBondContact O-N 3.13Å; Y456-T459 PolarHBondContact O-N 3.1Å; Y456-Q460 WeakPolarHBondContact O-CB 3.46Å; Y456-Q460 VanDerWaalsContact O-CG 3.26Å; Y456-Q460 WeakPolarHBondContact O-CG 3.42Å; Y456-Q460 PolarHBondContact O-N 3.43Å |
| 457 | E | 97.3 | Very high | 96.4 | Very high | 59 Ų | 59 | 31.3 Ų | 31.3 | 28% | 0.276 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.5 | -43.5 | 178.7 | -69.7 | 175 | -175.6 | 0 | 0 | 111.5 | K385 R453 C454 A461 | K385-E457 WeakPolarHBondContact CE-OE2 3.36Å; K385-E457 IonicContact NZ-OE2 3.3Å; K385-E457 PolarHBondContact NZ-OE2 3Å; R453-E457 VanDerWaalsContact CD-OE1 3.25Å; R453-E457 WeakPolarHBondContact CD-OE1 3.44Å; R453-E457 HydrophobicContact CG-CG 4.25Å; R453-E457 WeakPolarHBondContact CG-OE1 2.81Å; R453-E457 IonicContact NE-OE1 3.99Å; R453-E457 PolarHBondContact NE-OE1 2.82Å; R453-E457 WeakPolarHBondContact O-CG 3.49Å; R453-E457 PolarHBondContact O-N 3.35Å; C454-E457 PolarHBondContact O-N 3.03Å; E457-A461 VanDerWaalsContact O-CB 3.23Å; E457-A461 WeakPolarHBondContact O-CB 3.26Å; E457-A461 PolarHBondContact O-N 3.31Å |
| 458 | V | 96.8 | Very high | 96.4 | Very high | 5 Ų | 5 | 31.9 Ų | 31.9 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.2 | -44.6 | 179.2 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | K385 M388 E389 I392 C454 Y456 Q460 A461 N462 A467 | K385-V458 HydrophobicContact CG-CG2 3.83Å; M388-V458 HydrophobicContact CB-CG1 4.25Å; M388-V458 HydrophobicContact CB-CG2 4.16Å; M388-V458 HydrophobicContact SD-CG2 4.45Å; E389-V458 HydrophobicContact CG-CG1 4.48Å; E389-V458 HydrophobicContact CG-CG2 3.99Å; I392-V458 HydrophobicContact CD1-CG1 3.36Å; C454-V458 WeakPolarHBondContact O-CB 3.44Å; C454-V458 VanDerWaalsContact O-CG2 3.25Å; C454-V458 WeakPolarHBondContact O-CG2 3.3Å; C454-V458 PolarHBondContact O-N 3.29Å; Y456-V458 VanDerWaalsContact C-N 3.3Å; Y456-V458 PolarHBondContact O-N 3.13Å; V458-Q460 PolarHBondContact O-N 2.91Å; V458-A461 PolarHBondContact O-N 2.87Å; V458-N462 WeakPolarHBondContact O-CB 3.35Å; V458-N462 PolarHBondContact O-N 3.13Å; V458-A467 HydrophobicContact CG1-CB 4.47Å |
| 459 | T | 96.5 | Very high | 96.5 | Very high | 25 Ų | 25 | 31.6 Ų | 31.6 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -47.1 | 175.7 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | Q45 A455 Y456 G463 A467 | Q45-T459 PolarHBondContact NE2-OG1 3.24Å; A455-T459 WeakPolarHBondContact O-CB 3.32Å; A455-T459 PolarHBondContact O-N 3.45Å; A455-T459 VanDerWaalsContact O-N 3.08Å; A455-T459 PolarHBondContact O-OG1 3.03Å; Y456-T459 PolarHBondContact O-N 3.1Å; T459-G463 PolarHBondContact O-N 3.33Å; T459-A467 PolarHBondContact OG1-N 2.91Å |
| 460 | Q | 94.8 | Very high | 96.5 | Very high | 148 Ų | 148 | 31 Ų | 31 | 69% | 0.692 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -65.9 | -41.9 | -179.7 | -71 | 177 | 29.7 | 0 | 0 | 112.3 | Y456 V458 | Y456-Q460 WeakPolarHBondContact O-CB 3.46Å; Y456-Q460 VanDerWaalsContact O-CG 3.26Å; Y456-Q460 WeakPolarHBondContact O-CG 3.42Å; Y456-Q460 PolarHBondContact O-N 3.43Å; V458-Q460 PolarHBondContact O-N 2.91Å |
| 461 | A | 93 | Very high | 96.5 | Very high | 88 Ų | 88 | 30.9 Ų | 30.9 | 73% | 0.727 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -69.4 | -36.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E457 V458 | E457-A461 VanDerWaalsContact O-CB 3.23Å; E457-A461 WeakPolarHBondContact O-CB 3.26Å; E457-A461 PolarHBondContact O-N 3.31Å; V458-A461 PolarHBondContact O-N 2.87Å |
| 462 | N | 92.4 | Very high | 96.4 | Very high | 62 Ų | 62 | 30.9 Ų | 30.9 | 33% | 0.332 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -80.1 | -39.8 | -179.6 | -171.8 | -87.8 | 0 | 0 | 0 | 112.9 | I392 V458 K464 W465 | I392-N462 VanDerWaalsContact CG2-ND2 3.34Å; I392-N462 WeakPolarHBondContact CG2-ND2 3.36Å; V458-N462 WeakPolarHBondContact O-CB 3.35Å; V458-N462 PolarHBondContact O-N 3.13Å; N462-K464 PolarHBondContact O-N 3.37Å; N462-K464 PolarHBondContact OD1-N 3.23Å; N462-W465 VanDerWaalsContact OD1-CD1 3.28Å; N462-W465 PolarHBondContact OD1-N 2.85Å |
| 463 | G | 85.1 | Confident | 96.4 | Very high | 71 Ų | 71 | 31.6 Ų | 31.6 | 73% | 0.732 | 18% | 0.183 | S | C | * | . | S | Bend | trans | 71.3 | -10.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | T459 | T459-G463 PolarHBondContact O-N 3.33Š|
| 464 | K | 92.1 | Very high | 96.4 | Very high | 108 Ų | 108 | 32.3 Ų | 32.3 | 47% | 0.47 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -112.7 | -47.5 | 175.4 | -176.3 | -179.5 | 179.9 | 178.6 | 0 | 112.7 | D126 G436 N462 | D126-K464 WeakPolarHBondContact OD1-CE 3.32Å; D126-K464 IonicContact OD1-NZ 3.74Å; G436-K464 VanDerWaalsContact CA-O 3.3Å; G436-K464 WeakPolarHBondContact CA-O 3.47Å; N462-K464 PolarHBondContact O-N 3.37Å; N462-K464 PolarHBondContact OD1-N 3.23Å |
| 465 | W | 95.7 | Very high | 96.2 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 3% | 0.034 | 19% | 0.189 | C | C | . | . | trans | -81 | 145.8 | 179.2 | -75 | 78 | 0 | 0 | 0 | 111.2 | R129 I392 P437 L439 N462 | R129-W465 HydrophobicContact CB-CH2 4.24Å; R129-W465 HydrophobicContact CB-CZ2 4.46Å; R129-W465 WeakPolarHBondContact O-CH2 3.29Å; I392-W465 HydrophobicContact CB-CD2 4.39Å; I392-W465 HydrophobicContact CB-CG 4.46Å; I392-W465 HydrophobicContact CD1-CB 3.94Å; I392-W465 HydrophobicContact CD1-CG 4.32Å; I392-W465 HydrophobicContact CG1-CB 4.11Å; I392-W465 HydrophobicContact CG1-CD2 3.85Å; I392-W465 HydrophobicContact CG1-CE3 3.95Å; I392-W465 HydrophobicContact CG1-CG 3.96Å; I392-W465 HydrophobicContact CG2-CB 4.36Å; I392-W465 HydrophobicContact CG2-CD2 4.12Å; I392-W465 HydrophobicContact CG2-CG 3.82Å; P437-W465 HydrophobicContact CB-CD2 3.71Å; P437-W465 HydrophobicContact CB-CE3 3.62Å; P437-W465 HydrophobicContact CB-CG 4.46Å; P437-W465 HydrophobicContact CB-CH2 3.86Å; P437-W465 HydrophobicContact CB-CZ2 3.97Å; P437-W465 HydrophobicContact CB-CZ3 3.68Å; P437-W465 HydrophobicContact CG-CD2 4.19Å; P437-W465 HydrophobicContact CG-CZ2 4.3Å; P437-W465 WeakPolarHBondContact O-CA 3.3Å; L439-W465 HydrophobicContact CB-CE3 4.22Å; L439-W465 HydrophobicContact CB-CZ3 4.44Å; N462-W465 VanDerWaalsContact OD1-CD1 3.28Å; N462-W465 PolarHBondContact OD1-N 2.85Å | ||
| 466 | E | 97.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 33.5 Ų | 33.5 | 15% | 0.154 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 112.9 | 171.5 | -179.5 | -175.8 | -163.3 | 0 | 0 | 108.9 | T435 P437 R438 L439 I468 | T435-E466 WeakPolarHBondContact CB-OE2 3.29Å; T435-E466 WeakPolarHBondContact CG2-OE2 3.29Å; P437-E466 PolarHBondContact O-N 3.02Å; R438-E466 CarbonylContact C-O 3.6Å; R438-E466 VanDerWaalsContact CA-O 3.31Å; R438-E466 WeakPolarHBondContact CA-O 3.42Å; R438-E466 HydrophobicContact CG-CB 4.27Å; R438-E466 IonicContact CZ-OE2 2.88Å; R438-E466 IonicContact NE-OE2 2.69Å; R438-E466 PolarHBondContact NE-OE2 3.42Å; R438-E466 IonicContact NH2-OE1 3.85Å; R438-E466 IonicContact NH2-OE2 3.26Å; R438-E466 PolarHBondContact NH2-OE2 2.93Å; L439-E466 PolarHBondContact N-O 3.42Å; E466-I468 HydrophobicContact CG-CG1 4.2Å |
| 467 | A | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 128.8 | 173 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q45 M388 L439 A455 V458 T459 | Q45-A467 PolarHBondContact NE2-O 3.24Å; M388-A467 HydrophobicContact SD-CB 4.34Å; L439-A467 CarbonylContact O-C 3.58Å; L439-A467 VanDerWaalsContact O-CA 3.3Å; L439-A467 WeakPolarHBondContact O-CA 3.29Å; A455-A467 HydrophobicContact CB-CB 4.27Å; V458-A467 HydrophobicContact CG1-CB 4.47Å; T459-A467 PolarHBondContact OG1-N 2.91Å |
| 468 | I | 98.4 | Very high | 96.1 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.062 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 127.3 | 176.7 | -56.9 | 175.1 | 0 | 0 | 0 | 107.1 | Q45 Y47 L85 L439 M440 V441 E466 | Q45-I468 WeakPolarHBondContact O-CA 3.41Å; Y47-I468 HydrophobicContact CD1-CG2 3.67Å; Y47-I468 HydrophobicContact CE1-CG2 3.96Å; L85-I468 HydrophobicContact CD1-CD1 3.99Å; L439-I468 PolarHBondContact O-N 3Å; M440-I468 CarbonylContact C-O 3.53Å; M440-I468 VanDerWaalsContact CA-O 3.31Å; M440-I468 WeakPolarHBondContact CA-O 3.23Å; M440-I468 HydrophobicContact CG-CB 4.29Å; V441-I468 PolarHBondContact N-O 2.68Å; E466-I468 HydrophobicContact CG-CG1 4.2Å |
| 469 | I | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 142.9 | -179.1 | -172 | 170.9 | 0 | 0 | 0 | 110.4 | Q45 V46 Y47 I384 M388 V441 I443 E451 M452 A455 | Q45-I469 PolarHBondContact O-N 3.01Å; V46-I469 CarbonylContact C-O 3.6Å; V46-I469 WeakPolarHBondContact CA-O 3.5Å; V46-I469 HydrophobicContact CG2-CG2 3.96Å; Y47-I469 WeakPolarHBondContact CD1-O 3.25Å; Y47-I469 PolarHBondContact N-O 3.35Å; I384-I469 HydrophobicContact CG1-CD1 4.29Å; M388-I469 HydrophobicContact CE-CB 3.97Å; M388-I469 HydrophobicContact CE-CD1 3.98Å; M388-I469 HydrophobicContact CE-CG1 4.27Å; V441-I469 HydrophobicContact CB-CG1 4.24Å; V441-I469 HydrophobicContact CG1-CG1 4.17Å; V441-I469 CarbonylContact O-C 3.49Å; V441-I469 WeakPolarHBondContact O-CA 3.49Å; I443-I469 HydrophobicContact CD1-CD1 4.11Å; E451-I469 HydrophobicContact CB-CD1 3.97Å; M452-I469 HydrophobicContact CG-CG2 4.46Å; A455-I469 HydrophobicContact CB-CB 4.17Å; A455-I469 HydrophobicContact CB-CG2 3.7Å |
| 470 | G | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 175.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y47 V441 F442 I443 | Y47-G470 VanDerWaalsContact CE1-CA 3.47Å; Y47-G470 VanDerWaalsContact CE1-N 3.3Å; Y47-G470 WeakPolarHBondContact O-CA 3.49Å; V441-G470 PolarHBondContact O-N 3.44Å; F442-G470 CarbonylContact C-O 3.51Å; F442-G470 WeakPolarHBondContact CA-O 3.43Å; I443-G470 PolarHBondContact N-O 3.38Å |
| 471 | S | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 173.2 | -170.5 | 164.9 | 0 | 0 | 0 | 0 | 110.2 | Y47 L49 F442 I443 G446 A447 H473 | Y47-S471 PolarHBondContact O-N 3.01Å; L49-S471 PolarHBondContact N-O 3.09Å; F442-S471 VanDerWaalsContact CE2-C 3.41Å; I443-S471 VanDerWaalsContact O-CA 3.26Å; I443-S471 WeakPolarHBondContact O-CA 3.08Å; I443-S471 WeakPolarHBondContact O-CB 3.45Å; I443-S471 PolarHBondContact O-OG 3.29Å; I443-S471 VanDerWaalsContact O-OG 3.12Å; G446-S471 WeakPolarHBondContact CA-OG 3.33Å; G446-S471 PolarHBondContact N-OG 2.91Å; A447-S471 PolarHBondContact N-OG 2.89Å; A447-S471 VanDerWaalsContact N-OG 3.16Å; S471-H473 VanDerWaalsContact CB-O 3.31Å; S471-H473 WeakPolarHBondContact CB-O 3.46Å; S471-H473 PolarHBondContact O-N 3.17Å; S471-H473 PolarHBondContact OG-N 3.1Å; S471-H473 PolarHBondContact OG-O 3.01Å |
| 472 | T | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -59.3 | -33.7 | 170 | 60.5 | 0 | 0 | 0 | 0 | 112.2 | D50 N51 A54 L74 F442 G445 | D50-T472 PolarHBondContact N-O 3.06Å; D50-T472 VanDerWaalsContact N-O 3.15Å; N51-T472 PolarHBondContact N-O 2.72Å; N51-T472 WeakPolarHBondContact O-CB 3.19Å; A54-T472 HydrophobicContact CB-CG2 3.65Å; L74-T472 HydrophobicContact CD1-CG2 3.84Å; L74-T472 HydrophobicContact CD2-CG2 3.99Å; F442-T472 HydrophobicContact CZ-CG2 3.86Å; G445-T472 PolarHBondContact N-OG1 2.87Å |
| 473 | H | 98.3 | Very high | 96.6 | Very high | 15 Ų | 15 | 26 Ų | 26 | 7% | 0.069 | 15% | 0.151 | C | C | . | . | trans | -160 | 170.7 | 174.2 | 62.2 | -67.9 | 0 | 0 | 0 | 110.4 | P52 G446 A447 S471 F475 Q483 | P52-H473 HydrophobicContact CB-CB 4.29Å; G446-H473 VanDerWaalsContact CA-O 3.28Å; G446-H473 WeakPolarHBondContact CA-O 3.34Å; A447-H473 PolarHBondContact N-O 3.19Å; A447-H473 VanDerWaalsContact N-O 3.12Å; S471-H473 VanDerWaalsContact CB-O 3.31Å; S471-H473 WeakPolarHBondContact CB-O 3.46Å; S471-H473 PolarHBondContact O-N 3.17Å; S471-H473 PolarHBondContact OG-N 3.1Å; S471-H473 PolarHBondContact OG-O 3.01Å; H473-F475 AromaticContact NE2-CD1 3.83Å; H473-Q483 PolarHBondContact NE2-NE2 2.96Å; H473-Q483 PolarHBondContact NE2-OE1 2.64Å | ||
| 474 | I | 97.9 | Very high | 97.1 | Very high | 33 Ų | 33 | 22.7 Ų | 22.7 | 17% | 0.169 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 140.5 | 168.4 | -51.4 | -54.2 | 0 | 0 | 0 | 107.5 | Y42 V46 A447 F449 M452 | Y42-I474 HydrophobicContact CD1-CG1 3.98Å; Y42-I474 HydrophobicContact CE1-CG1 4.09Å; Y42-I474 HydrophobicContact CG-CG1 4.4Å; V46-I474 HydrophobicContact CG1-CD1 3.95Å; A447-I474 HydrophobicContact CB-CD1 4.17Å; F449-I474 HydrophobicContact CD1-CG2 4.42Å; F449-I474 HydrophobicContact CE1-CG2 3.93Å; F449-I474 HydrophobicContact CE2-CG2 4.03Å; F449-I474 HydrophobicContact CZ-CG2 3.71Å; M452-I474 HydrophobicContact SD-CD1 3.91Å; M452-I474 HydrophobicContact SD-CG1 4.32Å; M452-I474 HydrophobicContact SD-CG2 3.68Å |
| 475 | F | 94.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 19.5 Ų | 19.5 | 2% | 0.022 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 161.9 | 178.4 | 65.7 | -118.5 | 0 | 0 | 0 | 112.7 | P144 G446 A447 H473 C479 L480 | P144-F475 HydrophobicContact CB-CE2 3.59Å; P144-F475 HydrophobicContact CB-CZ 3.62Å; P144-F475 HydrophobicContact CG-CE2 4.29Å; P144-F475 HydrophobicContact CG-CZ 3.88Å; G446-F475 VanDerWaalsContact CA-CD1 3.46Å; G446-F475 VanDerWaalsContact CA-CE1 3.41Å; G446-F475 WeakPolarHBondContact O-CE1 3.28Å; A447-F475 PolarHBondContact O-N 2.94Å; H473-F475 AromaticContact NE2-CD1 3.83Å; F475-C479 HydrophobicContact CB-CB 3.9Å; F475-L480 HydrophobicContact CD2-CB 4.07Å; F475-L480 HydrophobicContact CE2-CB 4.19Å; F475-L480 HydrophobicContact CE2-CD2 4.36Å; F475-L480 HydrophobicContact CG-CB 4.42Å; F475-L480 HydrophobicContact CZ-CD2 4.39Å |
| 476 | T | 97.8 | Very high | 97.1 | Very high | 20 Ų | 20 | 20.2 Ų | 20.2 | 12% | 0.123 | 11% | 0.11 | C | C | . | . | trans | -97.4 | 163.4 | 163 | 67.9 | 0 | 0 | 0 | 0 | 109.9 | Y156 F449 T478 C479 L480 | Y156-T476 VanDerWaalsContact O-CG2 3.31Å; Y156-T476 WeakPolarHBondContact O-CG2 3.27Å; F449-T476 HydrophobicContact CE2-CG2 4.19Å; T476-T478 PolarHBondContact O-N 3.44Å; T476-C479 PolarHBondContact O-N 2.8Å; T476-C479 VanDerWaalsContact O-N 3.09Å; T476-C479 PolarHBondContact OG1-N 2.78Å; T476-C479 PolarHBondContact OG1-SG 2.86Å; T476-L480 PolarHBondContact O-N 3.49Å; T476-L480 VanDerWaalsContact O-N 3.07Å | ||
| 477 | P | 98.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 18.6 Ų | 18.6 | 10% | 0.097 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -51.7 | -42.4 | 174.2 | -28.4 | 37 | 0 | 0 | 0 | 112.4 | P144 D157 L480 L481 | P144-P477 WeakPolarHBondContact O-CA 3.25Å; P144-P477 WeakPolarHBondContact O-CG 3.4Å; D157-P477 HydrophobicContact CB-CG 4.47Å; D157-P477 WeakPolarHBondContact OD1-CG 3.47Å; P477-L480 PolarHBondContact O-N 3.14Å; P477-L481 WeakPolarHBondContact O-CG 3.18Å; P477-L481 PolarHBondContact O-N 2.81Å; P477-L481 VanDerWaalsContact O-N 3.08Å |
| 478 | T | 97 | Very high | 95.7 | Very high | 49 Ų | 49 | 20.9 Ų | 20.9 | 30% | 0.301 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.4 | -48.3 | 175.7 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | Y304 T476 L480 L481 E482 | Y304-T478 HydrophobicContact CD2-CG2 4.01Å; Y304-T478 HydrophobicContact CE2-CG2 3.87Å; T476-T478 PolarHBondContact O-N 3.44Å; T478-L480 VanDerWaalsContact C-N 3.31Å; T478-L480 PolarHBondContact O-N 3.25Å; T478-L481 PolarHBondContact O-N 3.44Å; T478-L481 VanDerWaalsContact O-N 3.16Å; T478-E482 WeakPolarHBondContact O-CG 3.25Å; T478-E482 PolarHBondContact O-N 3.26Å |
| 479 | C | 95.3 | Very high | 94.6 | Very high | 49 Ų | 49 | 24.9 Ų | 24.9 | 33% | 0.331 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -60.4 | -38.8 | 178.1 | -67.7 | 0 | 0 | 0 | 0 | 112.5 | F475 T476 E482 Q483 | F475-C479 HydrophobicContact CB-CB 3.9Å; T476-C479 PolarHBondContact O-N 2.8Å; T476-C479 VanDerWaalsContact O-N 3.09Å; T476-C479 PolarHBondContact OG1-N 2.78Å; T476-C479 PolarHBondContact OG1-SG 2.86Å; C479-E482 PolarHBondContact O-N 3.31Å; C479-Q483 WeakPolarHBondContact O-CG 3.29Å; C479-Q483 PolarHBondContact O-N 2.92Å |
| 480 | L | 97.5 | Very high | 93.1 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 175.1 | 172.7 | 64.5 | 0 | 0 | 0 | 111.4 | F55 P144 V145 F475 T476 P477 T478 E482 Q483 L484 | F55-L480 HydrophobicContact CE2-CD1 3.92Å; F55-L480 HydrophobicContact CZ-CD1 3.86Å; P144-L480 HydrophobicContact CB-CD2 3.44Å; P144-L480 VanDerWaalsContact CB-CD2 3.44Å; P144-L480 HydrophobicContact CG-CD2 4.47Å; V145-L480 HydrophobicContact CG1-CD2 4.05Å; F475-L480 HydrophobicContact CD2-CB 4.07Å; F475-L480 HydrophobicContact CE2-CB 4.19Å; F475-L480 HydrophobicContact CE2-CD2 4.36Å; F475-L480 HydrophobicContact CG-CB 4.42Å; F475-L480 HydrophobicContact CZ-CD2 4.39Å; T476-L480 PolarHBondContact O-N 3.49Å; T476-L480 VanDerWaalsContact O-N 3.07Å; P477-L480 PolarHBondContact O-N 3.14Å; T478-L480 VanDerWaalsContact C-N 3.31Å; T478-L480 PolarHBondContact O-N 3.25Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 2.83Å; L480-Q483 PolarHBondContact O-N 2.77Å; L480-L484 HydrophobicContact CD1-CD1 4.1Å; L480-L484 HydrophobicContact CD1-CG 4.28Å; L480-L484 HydrophobicContact CG-CD1 3.99Å; L480-L484 WeakPolarHBondContact O-CG 3.34Å; L480-L484 PolarHBondContact O-N 3.45Å |
| 481 | L | 98.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 179.1 | -64.3 | 175.4 | 0 | 0 | 0 | 111.5 | Y304 I307 R308 L311 I341 P477 T478 L484 K485 | Y304-L481 HydrophobicContact CD2-CB 4.13Å; Y304-L481 HydrophobicContact CD2-CD1 3.73Å; Y304-L481 HydrophobicContact CE2-CB 4.06Å; Y304-L481 HydrophobicContact CE2-CD1 4.49Å; Y304-L481 HydrophobicContact CG-CD1 3.79Å; I307-L481 HydrophobicContact CG2-CD2 3.86Å; R308-L481 HydrophobicContact CG-CD1 4.11Å; L311-L481 HydrophobicContact CD1-CD2 3.98Å; I341-L481 HydrophobicContact CD1-CB 4.42Å; I341-L481 HydrophobicContact CG2-CB 4.25Å; I341-L481 HydrophobicContact CG2-CD2 3.53Å; I341-L481 HydrophobicContact CG2-CG 4.47Å; P477-L481 WeakPolarHBondContact O-CG 3.18Å; P477-L481 PolarHBondContact O-N 2.81Å; P477-L481 VanDerWaalsContact O-N 3.08Å; T478-L481 PolarHBondContact O-N 3.44Å; T478-L481 VanDerWaalsContact O-N 3.16Å; L481-L484 PolarHBondContact O-N 3.18Å; L481-K485 WeakPolarHBondContact O-CB 3.48Å; L481-K485 PolarHBondContact O-N 3.14Å |
| 482 | E | 96.1 | Very high | 89.7 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 47% | 0.467 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.7 | -43.3 | 174.7 | -72.5 | 172.8 | 171.4 | 0 | 0 | 112.8 | Y304 T478 C479 L480 L484 K485 A486 | Y304-E482 HydrophobicContact CE2-CG 4.13Å; T478-E482 WeakPolarHBondContact O-CG 3.25Å; T478-E482 PolarHBondContact O-N 3.26Å; C479-E482 PolarHBondContact O-N 3.31Å; L480-E482 VanDerWaalsContact C-N 3.29Å; L480-E482 PolarHBondContact O-N 2.83Å; E482-L484 VanDerWaalsContact C-N 3.32Å; E482-L484 PolarHBondContact O-N 3.49Å; E482-K485 WeakPolarHBondContact O-CB 3.31Å; E482-K485 PolarHBondContact O-N 3.36Å; E482-A486 PolarHBondContact O-N 3.15Å |
| 483 | Q | 95.4 | Very high | 87.5 | Confident | 25 Ų | 25 | 46.4 Ų | 46.4 | 12% | 0.117 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.6 | -39.9 | 174.3 | -73.6 | -178.4 | -0.1 | 0 | 0 | 111.7 | F55 H56 H473 C479 L480 K485 A486 M487 | F55-Q483 HydrophobicContact CD1-CB 3.6Å; F55-Q483 HydrophobicContact CD1-CG 4.29Å; F55-Q483 HydrophobicContact CE1-CB 3.61Å; F55-Q483 HydrophobicContact CG-CB 4.34Å; F55-Q483 HydrophobicContact CZ-CB 4.36Å; H56-Q483 PolarHBondContact NE2-O 2.97Å; H473-Q483 PolarHBondContact NE2-NE2 2.96Å; H473-Q483 PolarHBondContact NE2-OE1 2.64Å; C479-Q483 WeakPolarHBondContact O-CG 3.29Å; C479-Q483 PolarHBondContact O-N 2.92Å; L480-Q483 PolarHBondContact O-N 2.77Å; Q483-K485 VanDerWaalsContact C-N 3.34Å; Q483-A486 PolarHBondContact O-N 2.82Å; Q483-M487 PolarHBondContact O-N 3.49Å |
| 484 | L | 96.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 173.7 | -71.4 | 166.2 | 0 | 0 | 0 | 112 | F55 I341 N344 M345 L348 L480 L481 E482 A486 M487 | F55-L484 HydrophobicContact CE1-CD2 4.31Å; F55-L484 HydrophobicContact CE1-CG 4.47Å; F55-L484 HydrophobicContact CZ-CD2 3.98Å; F55-L484 HydrophobicContact CZ-CG 4.21Å; I341-L484 HydrophobicContact CB-CB 4.5Å; I341-L484 HydrophobicContact CG2-CB 3.85Å; I341-L484 HydrophobicContact CG2-CD1 4.09Å; N344-L484 HydrophobicContact CB-CD2 4.4Å; N344-L484 PolarHBondContact ND2-O 3.42Å; M345-L484 HydrophobicContact CE-CD1 3.42Å; M345-L484 VanDerWaalsContact CE-CD1 3.42Å; M345-L484 HydrophobicContact SD-CD1 4.26Å; L348-L484 HydrophobicContact CD1-CD2 3.91Å; L480-L484 HydrophobicContact CD1-CD1 4.1Å; L480-L484 HydrophobicContact CD1-CG 4.28Å; L480-L484 HydrophobicContact CG-CD1 3.99Å; L480-L484 WeakPolarHBondContact O-CG 3.34Å; L480-L484 PolarHBondContact O-N 3.45Å; L481-L484 PolarHBondContact O-N 3.18Å; E482-L484 VanDerWaalsContact C-N 3.32Å; E482-L484 PolarHBondContact O-N 3.49Å; L484-A486 VanDerWaalsContact C-N 3.26Å; L484-A486 PolarHBondContact O-N 2.87Å; L484-M487 HydrophobicContact CD2-CE 3.82Å; L484-M487 VanDerWaalsContact O-CB 3.3Å; L484-M487 WeakPolarHBondContact O-CB 3.35Å; L484-M487 PolarHBondContact O-N 3.47Å |
| 485 | K | 95.3 | Very high | 82.3 | Confident | 41 Ų | 41 | 53.9 Ų | 53.9 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 175.5 | -166.5 | 173.8 | 179.4 | 172.5 | 0 | 111.8 | E337 D338 I341 L481 E482 Q483 | E337-K485 IonicContact OE1-NZ 3.06Å; E337-K485 PolarHBondContact OE1-NZ 3.16Å; D338-K485 WeakPolarHBondContact OD1-CD 3.41Å; D338-K485 WeakPolarHBondContact OD1-CE 3.33Å; D338-K485 IonicContact OD1-NZ 3.74Å; D338-K485 PolarHBondContact OD1-NZ 3.36Å; I341-K485 HydrophobicContact CD1-CB 3.94Å; I341-K485 HydrophobicContact CD1-CD 4.27Å; I341-K485 HydrophobicContact CD1-CG 4.26Å; I341-K485 HydrophobicContact CG1-CB 3.69Å; I341-K485 HydrophobicContact CG1-CG 4.15Å; L481-K485 WeakPolarHBondContact O-CB 3.48Å; L481-K485 PolarHBondContact O-N 3.14Å; E482-K485 WeakPolarHBondContact O-CB 3.31Å; E482-K485 PolarHBondContact O-N 3.36Å; Q483-K485 VanDerWaalsContact C-N 3.34Å |
| 486 | A | 91.8 | Very high | 79.2 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 20% | 0.198 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | E482 Q483 L484 N488 K489 | E482-A486 PolarHBondContact O-N 3.15Å; Q483-A486 PolarHBondContact O-N 2.82Å; L484-A486 VanDerWaalsContact C-N 3.26Å; L484-A486 PolarHBondContact O-N 2.87Å; A486-N488 PolarHBondContact O-N 3.25Å; A486-K489 PolarHBondContact O-N 3.06Å |
| 487 | M | 86.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -34.3 | -168.1 | -169.8 | 167.3 | -71.5 | 0 | 0 | 115.4 | F55 S60 N344 H347 L348 Q483 L484 | F55-M487 HydrophobicContact CD1-CE 4.12Å; F55-M487 HydrophobicContact CE1-CE 3.32Å; F55-M487 HydrophobicContact CZ-CE 3.89Å; S60-M487 WeakPolarHBondContact CB-O 3.25Å; S60-M487 PolarHBondContact OG-O 2.92Å; N344-M487 HydrophobicContact CB-CB 4.25Å; N344-M487 HydrophobicContact CB-SD 4.11Å; H347-M487 HydrophobicContact CB-SD 3.42Å; H347-M487 WeakPolarHBondContact CB-SD 3.16Å; H347-M487 PolarHBondContact CD2-SD 3.41Å; L348-M487 HydrophobicContact CD1-CE 3.87Å; Q483-M487 PolarHBondContact O-N 3.49Å; L484-M487 HydrophobicContact CD2-CE 3.82Å; L484-M487 VanDerWaalsContact O-CB 3.3Å; L484-M487 WeakPolarHBondContact O-CB 3.35Å; L484-M487 PolarHBondContact O-N 3.47Å |
| 488 | N | 79.9 | Confident | 77.2 | Confident | 48 Ų | 48 | 66.1 Ų | 66.1 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95 | -1.7 | -178.2 | -63.1 | -17.8 | 0 | 0 | 0 | 113.4 | E340 N344 A486 | E340-N488 PolarHBondContact OE2-ND2 2.91Å; E340-N488 VanDerWaalsContact OE2-ND2 3.12Å; N344-N488 VanDerWaalsContact CG-ND2 3.35Å; N344-N488 PolarHBondContact ND2-ND2 3.07Å; N344-N488 PolarHBondContact OD1-ND2 3.37Å; N344-N488 PolarHBondContact OD1-OD1 3.24Å; A486-N488 PolarHBondContact O-N 3.25Å |
| 489 | K | 76.1 | Confident | 76.1 | Confident | 96 Ų | 96 | 67 Ų | 67 | 42% | 0.417 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -79 | 131.1 | -177 | -64.4 | -168.8 | 177.6 | -172.4 | 0 | 110.1 | A486 V494 | A486-K489 PolarHBondContact O-N 3.06Å; K489-V494 HydrophobicContact CB-CG2 4.14Å |
| 490 | P | 67.6 | Low | 74.9 | Confident | 66 Ų | 66 | 68.1 Ų | 68.1 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | trans | -64.4 | 150 | 172.8 | 26.1 | -30.8 | 0 | 0 | 0 | 110.4 | E492 E493 | P490-E492 PolarHBondContact O-N 3.25Å; P490-E493 HydrophobicContact CG-CG 4.35Å; P490-E493 PolarHBondContact O-N 3.02Å; P490-E493 VanDerWaalsContact O-N 3.09Å | ||
| 491 | D | 65.9 | Low | 73.5 | Confident | 84 Ų | 84 | 72.2 Ų | 72.2 | 45% | 0.449 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -56.5 | -24.6 | -174.7 | -86.1 | -38.5 | 0 | 0 | 0 | 114.2 | K63 E493 | K63-D491 WeakPolarHBondContact CE-OD1 3.43Å; K63-D491 IonicContact NZ-OD1 3.44Å; K63-D491 PolarHBondContact NZ-OD1 3.09Å; D491-E493 VanDerWaalsContact C-N 3.29Å; D491-E493 PolarHBondContact O-N 3.16Å |
| 492 | E | 59.1 | Low | 71.9 | Confident | 180 Ų | 180 | 76.9 Ų | 76.9 | 84% | 0.841 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -70.3 | -19.3 | -179.7 | -63.1 | -176.3 | 177.2 | 0 | 0 | 113.9 | P490 | P490-E492 PolarHBondContact O-N 3.25Š|
| 493 | E | 51.5 | Low | 70.2 | Confident | 121 Ų | 121 | 75.3 Ų | 75.3 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -99.5 | -9.6 | -177.1 | -70.8 | -173.2 | 166 | 0 | 0 | 114.3 | P490 D491 S496 | P490-E493 HydrophobicContact CG-CG 4.35Å; P490-E493 PolarHBondContact O-N 3.02Å; P490-E493 VanDerWaalsContact O-N 3.09Å; D491-E493 VanDerWaalsContact C-N 3.29Å; D491-E493 PolarHBondContact O-N 3.16Å; E493-S496 PolarHBondContact O-OG 3.47Å |
| 494 | V | 51.6 | Low | 68.2 | Low | 78 Ų | 78 | 79.2 Ų | 79.2 | 47% | 0.473 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | -13.9 | -173.8 | -174.8 | 0 | 0 | 0 | 0 | 112.2 | K489 | K489-V494 HydrophobicContact CB-CG2 4.14Š|
| 495 | T | 35.4 | Very low | 65.9 | Low | 128 Ų | 128 | 85.8 Ų | 85.8 | 79% | 0.785 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 8.6 | -177.6 | 47.6 | 0 | 0 | 0 | 0 | 115.4 | ||
| 496 | S | 29.7 | Very low | 63.2 | Low | 163 Ų | 163 | 89.8 Ų | 89.8 | 100% | 1.14 | 51% | 0.505 | S | S | * | . | trans | -104.5 | 0 | -178.3 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | E493 | E493-S496 PolarHBondContact O-OG 3.47Š|
Retrieved 496 of 496 residues in 247 ms
(Link to these results)