| 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 | 37.5 | Very low | 70 | Confident | 175 Ų | 175 | 95.5 Ų | 95.5 | 86% | 0.862 | 47% | 0.471 | S | S | * | . | 0 | 128.8 | 0 | -62.2 | -163.9 | -141.4 | 0 | 0 | 108 | K3 G28 | M1-K3 PolarHBondContact O-N 2.93Å; M1-G28 WeakPolarHBondContact CE-O 3.39Å | |||
| 2 | S | 35.8 | Very low | 71.7 | Confident | 46 Ų | 46 | 92.1 Ų | 92.1 | 32% | 0.322 | 46% | 0.464 | S | S | . | . | trans | -65.4 | 128.1 | 173.4 | 175.4 | 0 | 0 | 0 | 0 | 109.5 | T4 A350 | S2-T4 PolarHBondContact O-N 2.99Å; S2-T4 VanDerWaalsContact O-N 3.12Å; S2-T4 PolarHBondContact OG-N 3.41Å; S2-T4 PolarHBondContact OG-OG1 3.38Å; S2-A350 WeakPolarHBondContact CB-O 3.01Å | ||
| 3 | K | 43.3 | Very low | 73.3 | Confident | 186 Ų | 186 | 92.2 Ų | 92.2 | 81% | 0.809 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -62.2 | -12.9 | 177.2 | -76.2 | -174.9 | 174.9 | -174.3 | 0 | 113.5 | M1 H5 L6 | M1-K3 PolarHBondContact O-N 2.93Å; K3-H5 PolarHBondContact O-N 3.26Å; K3-L6 PolarHBondContact O-N 3.27Å |
| 4 | T | 50.6 | Low | 74.8 | Confident | 88 Ų | 88 | 87.8 Ų | 87.8 | 54% | 0.54 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -67.5 | -9 | -166.8 | 52.5 | 0 | 0 | 0 | 0 | 116.1 | S2 | S2-T4 PolarHBondContact O-N 2.99Å; S2-T4 VanDerWaalsContact O-N 3.12Å; S2-T4 PolarHBondContact OG-N 3.41Å; S2-T4 PolarHBondContact OG-OG1 3.38Å |
| 5 | H | 67.4 | Low | 76 | Confident | 106 Ų | 106 | 88.3 Ų | 88.3 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | G | 310 helix | trans | -121.2 | 7.6 | -179.4 | -54.5 | -63.3 | 0 | 0 | 0 | 113.3 | K3 T33 P34 | K3-H5 PolarHBondContact O-N 3.26Å; H5-T33 WeakPolarHBondContact O-CA 3.49Å; H5-P34 VanDerWaalsContact O-CD 3.3Å; H5-P34 WeakPolarHBondContact O-CD 3.3Å |
| 6 | L | 81.4 | Confident | 77.2 | Confident | 67 Ų | 67 | 83.6 Ų | 83.6 | 35% | 0.351 | 44% | 0.441 | S | S | . | . | trans | -101.6 | 139.9 | -179.7 | -58.3 | 178.3 | 0 | 0 | 0 | 109.6 | K3 N31 T33 | K3-L6 PolarHBondContact O-N 3.27Å; L6-N31 HydrophobicContact CB-CB 3.95Å; L6-N31 HydrophobicContact CD1-CB 4.13Å; L6-N31 HydrophobicContact CG-CB 4.42Å; L6-T33 HydrophobicContact CD2-CG2 4.03Å | ||
| 7 | T | 88 | Confident | 78.3 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 22% | 0.221 | 43% | 0.429 | C | S | . | . | trans | -85.4 | 165.1 | 169.6 | 67.6 | 0 | 0 | 0 | 0 | 109.7 | Q9 N31 C32 P34 A37 | T7-Q9 PolarHBondContact O-N 2.96Å; T7-Q9 WeakPolarHBondContact OG1-CB 3.48Å; T7-Q9 PolarHBondContact OG1-N 2.61Å; T7-N31 WeakPolarHBondContact O-CB 3.5Å; T7-N31 PolarHBondContact O-ND2 3.43Å; T7-C32 WeakPolarHBondContact CB-O 3.36Å; T7-C32 PolarHBondContact N-O 2.98Å; T7-C32 PolarHBondContact OG1-O 2.89Å; T7-P34 HydrophobicContact CG2-CB 4.4Å; T7-P34 HydrophobicContact CG2-CG 3.96Å; T7-A37 HydrophobicContact CG2-CB 4.29Å | ||
| 8 | E | 88.8 | Confident | 79.3 | Confident | 173 Ų | 173 | 82.6 Ų | 82.6 | 81% | 0.808 | 44% | 0.44 | S | S | * | . | S | Bend | trans | -69.6 | -16.3 | 172.4 | -64.8 | -57.8 | 137.7 | 0 | 0 | 112.7 | K10 N31 | E8-K10 PolarHBondContact O-N 3.16Å; E8-N31 PolarHBondContact O-ND2 3.46Å |
| 9 | Q | 92.2 | Very high | 80.2 | Confident | 74 Ų | 74 | 83.2 Ų | 83.2 | 35% | 0.346 | 44% | 0.439 | S | S | . | . | trans | -67.9 | 122.7 | 178.1 | -173.2 | 70.3 | 32.5 | 0 | 0 | 110.5 | T7 D13 F14 C32 A37 | T7-Q9 PolarHBondContact O-N 2.96Å; T7-Q9 WeakPolarHBondContact OG1-CB 3.48Å; T7-Q9 PolarHBondContact OG1-N 2.61Å; Q9-D13 VanDerWaalsContact NE2-CB 3.26Å; Q9-F14 HydrophobicContact CG-CE1 4.23Å; Q9-F14 HydrophobicContact CG-CE2 4.03Å; Q9-F14 HydrophobicContact CG-CZ 3.55Å; Q9-C32 WeakPolarHBondContact O-CB 3.25Å; Q9-C32 PolarHBondContact O-N 3.15Å; Q9-A37 HydrophobicContact CB-CB 4.27Å; Q9-A37 HydrophobicContact CG-CB 4.4Å | ||
| 10 | K | 92.9 | Very high | 81 | Confident | 98 Ų | 98 | 79 Ų | 79 | 43% | 0.426 | 42% | 0.417 | S | S | . | . | B | Isolated β-bridge | trans | -89.8 | 154.5 | 175.3 | -59.4 | 176.1 | -177.7 | 173.5 | 0 | 111.4 | E8 S12 D13 H30 | E8-K10 PolarHBondContact O-N 3.16Å; K10-S12 PolarHBondContact O-N 2.92Å; K10-D13 WeakPolarHBondContact CB-OD2 3.38Å; K10-D13 PolarHBondContact N-OD2 2.79Å; K10-D13 WeakPolarHBondContact O-CB 3.36Å; K10-D13 PolarHBondContact O-N 3.38Å; K10-H30 CarbonylContact C-O 3.59Å; K10-H30 WeakPolarHBondContact CA-O 3.36Å; K10-H30 WeakPolarHBondContact CB-O 3.45Å |
| 11 | F | 92.1 | Very high | 81.7 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 0% | 0.004 | 41% | 0.406 | C | S | . | . | G | 310 helix | trans | -60.6 | -38.8 | 169.3 | -79.2 | -85.3 | 0 | 0 | 0 | 111.5 | D13 F14 L16 L24 F29 H30 Q36 L40 T65 | F11-D13 PolarHBondContact O-N 3.16Å; F11-F14 PolarHBondContact O-N 2.97Å; F11-F14 VanDerWaalsContact O-N 3.17Å; F11-L16 HydrophobicContact CB-CD1 4.3Å; F11-L16 HydrophobicContact CD1-CD1 4.31Å; F11-L16 WeakPolarHBondContact O-CD1 3.47Å; F11-L24 HydrophobicContact CB-CD1 4.01Å; F11-L24 HydrophobicContact CD1-CD1 3.6Å; F11-L24 HydrophobicContact CE1-CD1 4.17Å; F11-L24 HydrophobicContact CG-CD1 3.89Å; F11-F29 HydrophobicContact CD2-CB 4.28Å; F11-F29 WeakPolarHBondContact CD2-O 3.44Å; F11-F29 HydrophobicContact CE2-CB 4.04Å; F11-H30 PolarHBondContact N-O 3.34Å; F11-Q36 HydrophobicContact CZ-CB 4.41Å; F11-Q36 HydrophobicContact CZ-CG 4.25Å; F11-Q36 VanDerWaalsContact CZ-OE1 3.22Å; F11-L40 HydrophobicContact CD1-CD1 3.76Å; F11-L40 HydrophobicContact CE1-CD1 3.61Å; F11-T65 HydrophobicContact CD1-CG2 4.4Å; F11-T65 HydrophobicContact CE1-CG2 4.45Å |
| 12 | S | 90.5 | Very high | 84.3 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -69.8 | -11.3 | 179.3 | 43 | 0 | 0 | 0 | 0 | 114.5 | K10 F14 | K10-S12 PolarHBondContact O-N 2.92Å; S12-F14 VanDerWaalsContact C-N 3.26Å |
| 13 | D | 92.4 | Very high | 87.1 | Confident | 94 Ų | 94 | 72.3 Ų | 72.3 | 50% | 0.503 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -77.4 | -16 | 173.1 | -61.4 | -27.7 | 0 | 0 | 0 | 111.8 | Q9 K10 F11 | Q9-D13 VanDerWaalsContact NE2-CB 3.26Å; K10-D13 WeakPolarHBondContact CB-OD2 3.38Å; K10-D13 PolarHBondContact N-OD2 2.79Å; K10-D13 WeakPolarHBondContact O-CB 3.36Å; K10-D13 PolarHBondContact O-N 3.38Å; F11-D13 PolarHBondContact O-N 3.16Å |
| 14 | F | 94.2 | Very high | 89.6 | Confident | 30 Ų | 30 | 63.6 Ų | 63.6 | 13% | 0.132 | 34% | 0.341 | C | S | . | . | S | Bend | trans | -87.6 | 153.7 | 174.2 | -58.8 | -58.6 | 0 | 0 | 0 | 111.7 | Q9 F11 S12 L16 L40 P41 L44 | Q9-F14 HydrophobicContact CG-CE1 4.23Å; Q9-F14 HydrophobicContact CG-CE2 4.03Å; Q9-F14 HydrophobicContact CG-CZ 3.55Å; F11-F14 PolarHBondContact O-N 2.97Å; F11-F14 VanDerWaalsContact O-N 3.17Å; S12-F14 VanDerWaalsContact C-N 3.26Å; F14-L16 HydrophobicContact CB-CD1 4.42Å; F14-L16 HydrophobicContact CB-CG 4.05Å; F14-L16 PolarHBondContact O-N 2.8Å; F14-L40 HydrophobicContact CD2-CB 4.2Å; F14-L40 HydrophobicContact CD2-CD1 3.9Å; F14-L40 HydrophobicContact CE2-CB 3.93Å; F14-L40 HydrophobicContact CE2-CD1 3.62Å; F14-L40 HydrophobicContact CE2-CG 4.44Å; F14-L40 HydrophobicContact CZ-CB 4.16Å; F14-P41 HydrophobicContact CE1-CG 3.72Å; F14-P41 HydrophobicContact CZ-CG 4.23Å; F14-L44 HydrophobicContact CB-CD1 3.75Å; F14-L44 HydrophobicContact CG-CD1 4.15Å |
| 15 | A | 92.4 | Very high | 91.5 | Very high | 95 Ų | 95 | 63 Ų | 63 | 79% | 0.785 | 33% | 0.332 | S | S | * | . | trans | -74.6 | 51.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | H69 | A15-H69 PolarHBondContact O-CE1 3.24Š| ||
| 16 | L | 95.7 | Very high | 92.6 | Very high | 14 Ų | 14 | 65 Ų | 65 | 7% | 0.073 | 34% | 0.339 | C | S | . | . | trans | -70 | 156.3 | 177.1 | -75.3 | 171.2 | 0 | 0 | 0 | 111.3 | F11 F14 V20 V21 L24 L44 T65 H69 | F11-L16 HydrophobicContact CB-CD1 4.3Å; F11-L16 HydrophobicContact CD1-CD1 4.31Å; F11-L16 WeakPolarHBondContact O-CD1 3.47Å; F14-L16 HydrophobicContact CB-CD1 4.42Å; F14-L16 HydrophobicContact CB-CG 4.05Å; F14-L16 PolarHBondContact O-N 2.8Å; L16-V20 HydrophobicContact CD2-CG1 4.41Å; L16-V21 HydrophobicContact CB-CG2 3.51Å; L16-V21 HydrophobicContact CD1-CG2 4.28Å; L16-L24 HydrophobicContact CD1-CD1 4.07Å; L16-L44 HydrophobicContact CD2-CD1 3.67Å; L16-L44 HydrophobicContact CD2-CD2 3.41Å; L16-L44 VanDerWaalsContact CD2-CD2 3.41Å; L16-L44 HydrophobicContact CD2-CG 4.18Å; L16-L44 HydrophobicContact CG-CD1 4.07Å; L16-T65 HydrophobicContact CD1-CG2 3.83Å; L16-T65 HydrophobicContact CD2-CG2 3.49Å; L16-T65 VanDerWaalsContact CD2-CG2 3.49Å; L16-T65 HydrophobicContact CG-CG2 4.35Å; L16-H69 HydrophobicContact CD2-CB 4.02Å | ||
| 17 | H | 96.3 | Very high | 92.9 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 24% | 0.241 | 35% | 0.347 | C | S | . | . | trans | -65.3 | 134.4 | 174.7 | -175.4 | -76.9 | 0 | 0 | 0 | 108.5 | K19 V20 V21 H69 L72 | H17-K19 VanDerWaalsContact C-N 3.3Å; H17-K19 PolarHBondContact ND1-N 2.72Å; H17-K19 PolarHBondContact O-N 3.17Å; H17-K19 VanDerWaalsContact O-N 3.12Å; H17-V20 HydrophobicContact CB-CG2 4.07Å; H17-V20 WeakPolarHBondContact O-CA 3.45Å; H17-V20 VanDerWaalsContact O-CB 3.3Å; H17-V20 WeakPolarHBondContact O-CB 3.28Å; H17-V20 PolarHBondContact O-N 3.38Å; H17-V21 PolarHBondContact O-N 3.14Å; H17-H69 PolarHBondContact N-ND1 3.06Å; H17-H69 VanDerWaalsContact N-ND1 3.16Å; H17-L72 HydrophobicContact CB-CB 4.28Å; H17-L72 HydrophobicContact CB-CD1 4.09Å | ||
| 18 | P | 95.4 | Very high | 93 | Very high | 97 Ų | 97 | 66.7 Ų | 66.7 | 63% | 0.63 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -53.1 | -41.4 | -171.2 | -30.6 | 35.2 | 0 | 0 | 0 | 114.8 | V20 V21 E22 | P18-V20 VanDerWaalsContact C-N 3.25Å; P18-V20 PolarHBondContact O-N 2.86Å; P18-V21 PolarHBondContact O-N 3.02Å; P18-E22 PolarHBondContact O-N 3.5Å |
| 19 | K | 96.4 | Very high | 93 | Very high | 93 Ų | 93 | 61.4 Ų | 61.4 | 40% | 0.404 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.6 | -29.1 | 175.4 | -64.3 | -175.9 | 172.5 | -166.3 | 0 | 114.3 | H17 A23 T111 | H17-K19 VanDerWaalsContact C-N 3.3Å; H17-K19 PolarHBondContact ND1-N 2.72Å; H17-K19 PolarHBondContact O-N 3.17Å; H17-K19 VanDerWaalsContact O-N 3.12Å; K19-A23 PolarHBondContact O-N 3.08Å; K19-T111 HydrophobicContact CB-CG2 4.03Å |
| 20 | V | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74 | -44 | 176.3 | 177.6 | 0 | 0 | 0 | 0 | 109.5 | L16 H17 P18 E22 A23 L24 T65 F68 L72 L107 T111 | L16-V20 HydrophobicContact CD2-CG1 4.41Å; H17-V20 HydrophobicContact CB-CG2 4.07Å; H17-V20 WeakPolarHBondContact O-CA 3.45Å; H17-V20 VanDerWaalsContact O-CB 3.3Å; H17-V20 WeakPolarHBondContact O-CB 3.28Å; H17-V20 PolarHBondContact O-N 3.38Å; P18-V20 VanDerWaalsContact C-N 3.25Å; P18-V20 PolarHBondContact O-N 2.86Å; V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 PolarHBondContact O-N 2.91Å; V20-A23 PolarHBondContact O-N 2.72Å; V20-L24 HydrophobicContact CG1-CD1 4.07Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.38Å; V20-L24 PolarHBondContact O-N 3.38Å; V20-T65 HydrophobicContact CG1-CG2 3.93Å; V20-F68 HydrophobicContact CG2-CB 3.99Å; V20-L72 HydrophobicContact CG2-CD1 3.73Å; V20-L107 HydrophobicContact CG1-CD2 4.02Å; V20-T111 HydrophobicContact CG2-CG2 4.34Å |
| 21 | V | 94.7 | Very high | 92.8 | Very high | 32 Ų | 32 | 59.1 Ų | 59.1 | 19% | 0.194 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59 | -46.5 | 174.9 | -178.2 | 0 | 0 | 0 | 0 | 110.7 | L16 H17 P18 A23 L24 E25 | L16-V21 HydrophobicContact CB-CG2 3.51Å; L16-V21 HydrophobicContact CD1-CG2 4.28Å; H17-V21 PolarHBondContact O-N 3.14Å; P18-V21 PolarHBondContact O-N 3.02Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.78Å; V21-L24 PolarHBondContact O-N 2.95Å; V21-E25 HydrophobicContact CG1-CG 4.22Å; V21-E25 WeakPolarHBondContact O-CB 3.33Å; V21-E25 WeakPolarHBondContact O-CG 3.39Å; V21-E25 PolarHBondContact O-N 3.45Å |
| 22 | E | 92.8 | Very high | 92.8 | Very high | 122 Ų | 122 | 59.1 Ų | 59.1 | 57% | 0.57 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -56.3 | -45.5 | 177.1 | -176.1 | -174.9 | 173.9 | 0 | 0 | 112.4 | P18 V20 E25 K26 | P18-E22 PolarHBondContact O-N 3.5Å; V20-E22 VanDerWaalsContact C-N 3.34Å; V20-E22 PolarHBondContact O-N 2.91Å; E22-E25 PolarHBondContact O-N 3.13Å; E22-K26 VanDerWaalsContact O-CB 3.32Å; E22-K26 WeakPolarHBondContact O-CB 3.32Å; E22-K26 PolarHBondContact O-N 2.89Å |
| 23 | A | 94.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 57.2 Ų | 57.2 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K19 V20 V21 K27 L107 A110 | K19-A23 PolarHBondContact O-N 3.08Å; V20-A23 PolarHBondContact O-N 2.72Å; V21-A23 VanDerWaalsContact C-N 3.34Å; V21-A23 PolarHBondContact O-N 2.78Å; A23-K27 PolarHBondContact O-N 2.73Å; A23-L107 HydrophobicContact CB-CD2 3.71Å; A23-L107 HydrophobicContact CB-CG 4.31Å; A23-A110 HydrophobicContact CB-CB 3.71Å |
| 24 | L | 94.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 177.9 | -69.6 | 170.3 | 0 | 0 | 0 | 111.1 | F11 L16 V20 V21 K27 G28 F29 M61 T65 | F11-L24 HydrophobicContact CB-CD1 4.01Å; F11-L24 HydrophobicContact CD1-CD1 3.6Å; F11-L24 HydrophobicContact CE1-CD1 4.17Å; F11-L24 HydrophobicContact CG-CD1 3.89Å; L16-L24 HydrophobicContact CD1-CD1 4.07Å; V20-L24 HydrophobicContact CG1-CD1 4.07Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.38Å; V20-L24 PolarHBondContact O-N 3.38Å; V21-L24 PolarHBondContact O-N 2.95Å; L24-K27 CarbonylContact O-C 3.54Å; L24-K27 PolarHBondContact O-N 3.25Å; L24-K27 VanDerWaalsContact O-N 3.12Å; L24-G28 PolarHBondContact O-N 2.93Å; L24-G28 VanDerWaalsContact O-N 3.11Å; L24-F29 HydrophobicContact CB-CB 4.17Å; L24-F29 HydrophobicContact CD2-CB 4.07Å; L24-F29 HydrophobicContact CD2-CD2 4.16Å; L24-F29 HydrophobicContact CD2-CG 4.39Å; L24-F29 PolarHBondContact O-N 2.67Å; L24-M61 HydrophobicContact CD2-CE 3.29Å; L24-T65 HydrophobicContact CD1-CG2 4.01Å |
| 25 | E | 91.2 | Very high | 92.7 | Very high | 75 Ų | 75 | 53.8 Ų | 53.8 | 35% | 0.35 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.9 | -45.6 | 176.6 | -73.8 | -70.8 | 157.7 | 0 | 0 | 111.6 | V21 E22 K27 G28 H30 | V21-E25 HydrophobicContact CG1-CG 4.22Å; V21-E25 WeakPolarHBondContact O-CB 3.33Å; V21-E25 WeakPolarHBondContact O-CG 3.39Å; V21-E25 PolarHBondContact O-N 3.45Å; E22-E25 PolarHBondContact O-N 3.13Å; E25-K27 PolarHBondContact O-N 3.24Å; E25-K27 VanDerWaalsContact O-N 3.15Å; E25-G28 PolarHBondContact O-N 3.41Å; E25-H30 IonicContact OE1-ND1 2.79Å; E25-H30 PolarHBondContact OE1-ND1 2.88Å; E25-H30 IonicContact OE2-CE1 3.27Å; E25-H30 PolarHBondContact OE2-CE1 3.09Å; E25-H30 IonicContact OE2-ND1 2.77Å; E25-H30 PolarHBondContact OE2-ND1 3Å |
| 26 | K | 90.8 | Very high | 92.9 | Very high | 149 Ų | 149 | 49.5 Ų | 49.5 | 65% | 0.648 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.1 | -27.8 | 176 | -173 | -179.3 | 178.1 | -171.8 | 0 | 112.5 | E22 E109 | E22-K26 VanDerWaalsContact O-CB 3.32Å; E22-K26 WeakPolarHBondContact O-CB 3.32Å; E22-K26 PolarHBondContact O-N 2.89Å; K26-E109 IonicContact NZ-OE1 2.88Å; K26-E109 PolarHBondContact NZ-OE1 2.99Å |
| 27 | K | 88.3 | Confident | 92.8 | Very high | 115 Ų | 115 | 49.9 Ų | 49.9 | 50% | 0.5 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -1 | 177 | -74.1 | -77.7 | 161.9 | 159.2 | 0 | 113.8 | A23 L24 E25 F29 P106 | A23-K27 PolarHBondContact O-N 2.73Å; L24-K27 CarbonylContact O-C 3.54Å; L24-K27 PolarHBondContact O-N 3.25Å; L24-K27 VanDerWaalsContact O-N 3.12Å; E25-K27 PolarHBondContact O-N 3.24Å; E25-K27 VanDerWaalsContact O-N 3.15Å; K27-F29 HydrophobicContact CB-CD2 3.59Å; K27-F29 HydrophobicContact CB-CE2 3.73Å; K27-P106 HydrophobicContact CD-CB 4.17Å; K27-P106 HydrophobicContact CD-CG 3.93Å; K27-P106 VanDerWaalsContact CE-CB 3.48Å; K27-P106 HydrophobicContact CG-CB 3.93Å; K27-P106 HydrophobicContact CG-CG 4.19Å; K27-P106 VanDerWaalsContact NZ-CG 3.34Å |
| 28 | G | 88.7 | Confident | 92.8 | Very high | 23 Ų | 23 | 51.7 Ų | 51.7 | 24% | 0.237 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.4 | 20.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M1 L24 E25 H30 | M1-G28 WeakPolarHBondContact CE-O 3.39Å; L24-G28 PolarHBondContact O-N 2.93Å; L24-G28 VanDerWaalsContact O-N 3.11Å; E25-G28 PolarHBondContact O-N 3.41Å; G28-H30 PolarHBondContact O-CD2 3.21Å; G28-H30 PolarHBondContact O-N 3.37Å |
| 29 | F | 89.2 | Confident | 92.9 | Very high | 62 Ų | 62 | 47 Ų | 47 | 27% | 0.272 | 24% | 0.236 | S | C | . | . | trans | -87.3 | 84 | 173 | -65.9 | -68.5 | 0 | 0 | 0 | 110.2 | F11 L24 K27 M61 | F11-F29 HydrophobicContact CD2-CB 4.28Å; F11-F29 WeakPolarHBondContact CD2-O 3.44Å; F11-F29 HydrophobicContact CE2-CB 4.04Å; L24-F29 HydrophobicContact CB-CB 4.17Å; L24-F29 HydrophobicContact CD2-CB 4.07Å; L24-F29 HydrophobicContact CD2-CD2 4.16Å; L24-F29 HydrophobicContact CD2-CG 4.39Å; L24-F29 PolarHBondContact O-N 2.67Å; K27-F29 HydrophobicContact CB-CD2 3.59Å; K27-F29 HydrophobicContact CB-CE2 3.73Å; F29-M61 HydrophobicContact CD2-CE 3.98Å; F29-M61 HydrophobicContact CE1-CG 4.02Å; F29-M61 HydrophobicContact CE2-CE 3.89Å; F29-M61 HydrophobicContact CE2-CG 4.18Å; F29-M61 HydrophobicContact CE2-SD 4.06Å; F29-M61 HydrophobicContact CZ-CE 4.49Å; F29-M61 HydrophobicContact CZ-CG 3.82Å; F29-M61 HydrophobicContact CZ-SD 4.18Å | ||
| 30 | H | 89.5 | Confident | 92.9 | Very high | 81 Ų | 81 | 42.6 Ų | 42.6 | 38% | 0.375 | 22% | 0.216 | S | C | . | . | trans | -90.5 | -56 | -179.9 | -53.6 | -66.3 | 0 | 0 | 0 | 112.1 | K10 F11 E25 G28 | K10-H30 CarbonylContact C-O 3.59Å; K10-H30 WeakPolarHBondContact CA-O 3.36Å; K10-H30 WeakPolarHBondContact CB-O 3.45Å; F11-H30 PolarHBondContact N-O 3.34Å; E25-H30 IonicContact OE1-ND1 2.79Å; E25-H30 PolarHBondContact OE1-ND1 2.88Å; E25-H30 IonicContact OE2-CE1 3.27Å; E25-H30 PolarHBondContact OE2-CE1 3.09Å; E25-H30 IonicContact OE2-ND1 2.77Å; E25-H30 PolarHBondContact OE2-ND1 3Å; G28-H30 PolarHBondContact O-CD2 3.21Å; G28-H30 PolarHBondContact O-N 3.37Å | ||
| 31 | N | 92.2 | Very high | 93 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 24% | 0.235 | 24% | 0.237 | C | C | . | . | B | Isolated β-bridge | trans | -99.2 | 145.2 | -177.1 | -72.5 | 76.6 | 0 | 0 | 0 | 111.1 | L6 T7 E8 | L6-N31 HydrophobicContact CB-CB 3.95Å; L6-N31 HydrophobicContact CD1-CB 4.13Å; L6-N31 HydrophobicContact CG-CB 4.42Å; T7-N31 WeakPolarHBondContact O-CB 3.5Å; T7-N31 PolarHBondContact O-ND2 3.43Å; E8-N31 PolarHBondContact O-ND2 3.46Å |
| 32 | C | 92.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | P | Polyproline II helix | trans | -81.8 | 145.7 | 179.3 | -67.3 | 0 | 0 | 0 | 0 | 111.3 | T7 Q9 Q36 A37 | T7-C32 WeakPolarHBondContact CB-O 3.36Å; T7-C32 PolarHBondContact N-O 2.98Å; T7-C32 PolarHBondContact OG1-O 2.89Å; Q9-C32 WeakPolarHBondContact O-CB 3.25Å; Q9-C32 PolarHBondContact O-N 3.15Å; C32-Q36 HydrophobicContact CB-CB 3.87Å; C32-A37 HydrophobicContact CB-CB 4.04Å |
| 33 | T | 91.7 | Very high | 93.3 | Very high | 15 Ų | 15 | 40.3 Ų | 40.3 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -73.3 | 164 | 159.9 | 67.8 | 0 | 0 | 0 | 0 | 110.5 | H5 L6 I35 Q36 A37 T57 | H5-T33 WeakPolarHBondContact O-CA 3.49Å; L6-T33 HydrophobicContact CD2-CG2 4.03Å; T33-I35 VanDerWaalsContact C-N 3.31Å; T33-I35 PolarHBondContact O-N 3.38Å; T33-I35 WeakPolarHBondContact OG1-CG2 3.2Å; T33-Q36 WeakPolarHBondContact O-CB 3.38Å; T33-Q36 PolarHBondContact O-N 3.32Å; T33-Q36 WeakPolarHBondContact OG1-CG 3.35Å; T33-Q36 PolarHBondContact OG1-OE1 3.48Å; T33-A37 PolarHBondContact O-N 3.06Å; T33-T57 WeakPolarHBondContact CB-O 3.41Å; T33-T57 WeakPolarHBondContact CG2-O 3.08Å; T33-T57 PolarHBondContact OG1-O 3Å |
| 34 | P | 90.9 | Very high | 93.4 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 34% | 0.344 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -53.4 | -44.1 | 179.3 | -29.9 | 35.6 | 0 | 0 | 0 | 113.9 | H5 T7 Q36 A37 L38 V221 | H5-P34 VanDerWaalsContact O-CD 3.3Å; H5-P34 WeakPolarHBondContact O-CD 3.3Å; T7-P34 HydrophobicContact CG2-CB 4.4Å; T7-P34 HydrophobicContact CG2-CG 3.96Å; P34-Q36 VanDerWaalsContact C-N 3.3Å; P34-Q36 PolarHBondContact O-N 3.47Å; P34-A37 PolarHBondContact O-N 3.48Å; P34-L38 WeakPolarHBondContact O-CB 3.27Å; P34-L38 VanDerWaalsContact O-CG 3.3Å; P34-L38 WeakPolarHBondContact O-CG 3.2Å; P34-L38 PolarHBondContact O-N 3.25Å; P34-V221 HydrophobicContact CB-CG1 4.04Å; P34-V221 HydrophobicContact CB-CG2 4.27Å |
| 35 | I | 92.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -34.4 | 178.6 | -171.6 | 60.8 | 0 | 0 | 0 | 112.1 | T33 A39 A53 T57 K59 F197 I219 V221 | T33-I35 VanDerWaalsContact C-N 3.31Å; T33-I35 PolarHBondContact O-N 3.38Å; T33-I35 WeakPolarHBondContact OG1-CG2 3.2Å; I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 3.27Å; I35-A53 HydrophobicContact CB-CB 4.02Å; I35-A53 HydrophobicContact CD1-CB 4.26Å; I35-A53 HydrophobicContact CG1-CB 3.98Å; I35-A53 HydrophobicContact CG2-CB 4.35Å; I35-T57 VanDerWaalsContact CG2-O 3.23Å; I35-T57 WeakPolarHBondContact CG2-O 3.46Å; I35-K59 HydrophobicContact CG1-CG 4.33Å; I35-K59 HydrophobicContact CG2-CG 4.4Å; I35-F197 HydrophobicContact CD1-CE1 4.28Å; I35-F197 HydrophobicContact CG1-CE1 4.07Å; I35-I219 HydrophobicContact CD1-CG2 3.95Å; I35-V221 HydrophobicContact CB-CG2 3.97Å; I35-V221 HydrophobicContact CD1-CG2 3.98Å |
| 36 | Q | 95.3 | Very high | 93.7 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.023 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70 | -46 | 175.5 | -68.5 | 161.9 | -1.6 | 0 | 0 | 111 | F11 C32 T33 P34 L38 A39 L40 G58 A62 | F11-Q36 HydrophobicContact CZ-CB 4.41Å; F11-Q36 HydrophobicContact CZ-CG 4.25Å; F11-Q36 VanDerWaalsContact CZ-OE1 3.22Å; C32-Q36 HydrophobicContact CB-CB 3.87Å; T33-Q36 WeakPolarHBondContact O-CB 3.38Å; T33-Q36 PolarHBondContact O-N 3.32Å; T33-Q36 WeakPolarHBondContact OG1-CG 3.35Å; T33-Q36 PolarHBondContact OG1-OE1 3.48Å; P34-Q36 VanDerWaalsContact C-N 3.3Å; P34-Q36 PolarHBondContact O-N 3.47Å; Q36-L38 VanDerWaalsContact C-N 3.25Å; Q36-L38 PolarHBondContact O-N 2.83Å; Q36-A39 PolarHBondContact O-N 3.3Å; Q36-L40 HydrophobicContact CB-CD1 4.21Å; Q36-L40 VanDerWaalsContact O-CB 3.27Å; Q36-L40 WeakPolarHBondContact O-CB 3.4Å; Q36-L40 WeakPolarHBondContact O-CD1 3.25Å; Q36-L40 WeakPolarHBondContact O-CG 3.05Å; Q36-L40 PolarHBondContact O-N 2.98Å; Q36-G58 PolarHBondContact NE2-O 3.4Å; Q36-A62 HydrophobicContact CG-CB 3.84Å |
| 37 | A | 95 | Very high | 94.1 | Very high | 22 Ų | 22 | 42.5 Ų | 42.5 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.9 | -33.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | T7 Q9 C32 T33 P34 P41 | T7-A37 HydrophobicContact CG2-CB 4.29Å; Q9-A37 HydrophobicContact CB-CB 4.27Å; Q9-A37 HydrophobicContact CG-CB 4.4Å; C32-A37 HydrophobicContact CB-CB 4.04Å; T33-A37 PolarHBondContact O-N 3.06Å; P34-A37 PolarHBondContact O-N 3.48Å; A37-P41 WeakPolarHBondContact O-CD 3.34Å; A37-P41 VanDerWaalsContact O-CG 3.3Å; A37-P41 WeakPolarHBondContact O-CG 3.47Å |
| 38 | L | 95.2 | Very high | 94.6 | Very high | 89 Ų | 89 | 37.2 Ų | 37.2 | 47% | 0.466 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -81.9 | -42.4 | 177.3 | -66.6 | 169.9 | 0 | 0 | 0 | 112.8 | P34 Q36 I219 V221 | P34-L38 WeakPolarHBondContact O-CB 3.27Å; P34-L38 VanDerWaalsContact O-CG 3.3Å; P34-L38 WeakPolarHBondContact O-CG 3.2Å; P34-L38 PolarHBondContact O-N 3.25Å; Q36-L38 VanDerWaalsContact C-N 3.25Å; Q36-L38 PolarHBondContact O-N 2.83Å; L38-I219 HydrophobicContact CB-CD1 4.32Å; L38-I219 HydrophobicContact CB-CG2 3.54Å; L38-I219 HydrophobicContact CD1-CG2 3.73Å; L38-I219 HydrophobicContact CG-CG2 4.26Å; L38-V221 HydrophobicContact CD1-CG2 3.81Å |
| 39 | A | 97.5 | Very high | 95 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.3 | -41.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I35 Q36 L42 T43 V49 F197 I219 | I35-A39 WeakPolarHBondContact O-CB 3.28Å; I35-A39 PolarHBondContact O-N 3.27Å; Q36-A39 PolarHBondContact O-N 3.3Å; A39-L42 PolarHBondContact O-N 3.15Å; A39-L42 VanDerWaalsContact O-N 3.15Å; A39-T43 PolarHBondContact O-N 3.25Å; A39-T43 PolarHBondContact O-OG1 2.93Å; A39-V49 HydrophobicContact CB-CG1 4.32Å; A39-F197 HydrophobicContact CB-CE1 4.49Å; A39-F197 HydrophobicContact CB-CZ 4.24Å; A39-I219 VanDerWaalsContact CA-CD1 3.48Å; A39-I219 HydrophobicContact CB-CD1 3.96Å |
| 40 | L | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.6 | -45.7 | -172 | -70.1 | 171.3 | 0 | 0 | 0 | 113.8 | F11 F14 Q36 L42 T43 L44 T65 | F11-L40 HydrophobicContact CD1-CD1 3.76Å; F11-L40 HydrophobicContact CE1-CD1 3.61Å; F14-L40 HydrophobicContact CD2-CB 4.2Å; F14-L40 HydrophobicContact CD2-CD1 3.9Å; F14-L40 HydrophobicContact CE2-CB 3.93Å; F14-L40 HydrophobicContact CE2-CD1 3.62Å; F14-L40 HydrophobicContact CE2-CG 4.44Å; F14-L40 HydrophobicContact CZ-CB 4.16Å; Q36-L40 HydrophobicContact CB-CD1 4.21Å; Q36-L40 VanDerWaalsContact O-CB 3.27Å; Q36-L40 WeakPolarHBondContact O-CB 3.4Å; Q36-L40 WeakPolarHBondContact O-CD1 3.25Å; Q36-L40 WeakPolarHBondContact O-CG 3.05Å; Q36-L40 PolarHBondContact O-N 2.98Å; L40-L42 PolarHBondContact O-N 3.42Å; L40-L42 VanDerWaalsContact O-N 3.09Å; L40-T43 PolarHBondContact O-N 3.27Å; L40-T43 PolarHBondContact O-OG1 3.43Å; L40-L44 HydrophobicContact CB-CD1 4.19Å; L40-L44 HydrophobicContact CB-CG 4.47Å; L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.26Å; L40-L44 PolarHBondContact O-N 3.2Å; L40-T65 HydrophobicContact CD2-CG2 3.83Å |
| 41 | P | 97 | Very high | 95.7 | Very high | 65 Ų | 65 | 29.3 Ų | 29.3 | 42% | 0.422 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -53.3 | -35.3 | 176.7 | -27.1 | 34 | 0 | 0 | 0 | 113.7 | F14 A37 A45 | F14-P41 HydrophobicContact CE1-CG 3.72Å; F14-P41 HydrophobicContact CZ-CG 4.23Å; A37-P41 WeakPolarHBondContact O-CD 3.34Å; A37-P41 VanDerWaalsContact O-CG 3.3Å; A37-P41 WeakPolarHBondContact O-CG 3.47Å; P41-A45 WeakPolarHBondContact O-CB 3.43Å |
| 42 | L | 97.8 | Very high | 95.7 | Very high | 40 Ų | 40 | 29 Ų | 29 | 21% | 0.209 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -79.9 | -51.5 | -177.7 | -62.6 | 170.4 | 0 | 0 | 0 | 111.3 | A39 L40 L44 A45 G46 R47 V49 E217 I219 | A39-L42 PolarHBondContact O-N 3.15Å; A39-L42 VanDerWaalsContact O-N 3.15Å; L40-L42 PolarHBondContact O-N 3.42Å; L40-L42 VanDerWaalsContact O-N 3.09Å; L42-L44 PolarHBondContact O-N 3.39Å; L42-A45 CarbonylContact O-C 3.59Å; L42-A45 WeakPolarHBondContact O-CB 3.44Å; L42-A45 PolarHBondContact O-N 2.82Å; L42-A45 VanDerWaalsContact O-N 3.13Å; L42-G46 PolarHBondContact O-N 3.12Å; L42-R47 HydrophobicContact CB-CB 4.34Å; L42-R47 WeakPolarHBondContact O-CB 3.38Å; L42-R47 PolarHBondContact O-N 2.95Å; L42-V49 HydrophobicContact CB-CG2 3.77Å; L42-V49 HydrophobicContact CD1-CG2 4.13Å; L42-E217 HydrophobicContact CD1-CB 3.78Å; L42-E217 HydrophobicContact CD1-CG 4.07Å; L42-E217 HydrophobicContact CD2-CG 4.19Å; L42-I219 HydrophobicContact CD1-CD1 3.63Å; L42-I219 HydrophobicContact CD1-CG1 4.13Å |
| 43 | T | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -69 | -33.6 | -176.7 | 57.5 | 0 | 0 | 0 | 0 | 112.6 | A39 L40 A45 G46 V49 S66 M195 | A39-T43 PolarHBondContact O-N 3.25Å; A39-T43 PolarHBondContact O-OG1 2.93Å; L40-T43 PolarHBondContact O-N 3.27Å; L40-T43 PolarHBondContact O-OG1 3.43Å; T43-A45 VanDerWaalsContact C-N 3.26Å; T43-A45 PolarHBondContact O-N 2.82Å; T43-G46 WeakPolarHBondContact O-CA 3.4Å; T43-G46 PolarHBondContact O-N 3.29Å; T43-V49 HydrophobicContact CG2-CB 4.02Å; T43-V49 HydrophobicContact CG2-CG2 3.65Å; T43-S66 WeakPolarHBondContact CB-OG 3.21Å; T43-S66 WeakPolarHBondContact OG1-CB 3.39Å; T43-S66 PolarHBondContact OG1-OG 3.24Å; T43-M195 HydrophobicContact CG2-CG 4.03Å; T43-M195 HydrophobicContact CG2-SD 3.78Å |
| 44 | L | 97 | Very high | 94.6 | Very high | 33 Ų | 33 | 31.8 Ų | 31.8 | 17% | 0.173 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -26.7 | 174 | -60.7 | 178.8 | 0 | 0 | 0 | 112.2 | F14 L16 L40 L42 G46 H69 | F14-L44 HydrophobicContact CB-CD1 3.75Å; F14-L44 HydrophobicContact CG-CD1 4.15Å; L16-L44 HydrophobicContact CD2-CD1 3.67Å; L16-L44 HydrophobicContact CD2-CD2 3.41Å; L16-L44 VanDerWaalsContact CD2-CD2 3.41Å; L16-L44 HydrophobicContact CD2-CG 4.18Å; L16-L44 HydrophobicContact CG-CD1 4.07Å; L40-L44 HydrophobicContact CB-CD1 4.19Å; L40-L44 HydrophobicContact CB-CG 4.47Å; L40-L44 WeakPolarHBondContact O-CB 3.3Å; L40-L44 WeakPolarHBondContact O-CG 3.26Å; L40-L44 PolarHBondContact O-N 3.2Å; L42-L44 PolarHBondContact O-N 3.39Å; L44-G46 PolarHBondContact O-N 3.33Å; L44-H69 HydrophobicContact CD2-CB 3.79Å; L44-H69 WeakPolarHBondContact CD2-CD2 3.27Å; L44-H69 VanDerWaalsContact CD2-CG 3.46Å |
| 45 | A | 95.7 | Very high | 93.7 | Very high | 70 Ų | 70 | 31.7 Ų | 31.7 | 58% | 0.579 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | 6.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | P41 L42 T43 R47 | P41-A45 WeakPolarHBondContact O-CB 3.43Å; L42-A45 CarbonylContact O-C 3.59Å; L42-A45 WeakPolarHBondContact O-CB 3.44Å; L42-A45 PolarHBondContact O-N 2.82Å; L42-A45 VanDerWaalsContact O-N 3.13Å; T43-A45 VanDerWaalsContact C-N 3.26Å; T43-A45 PolarHBondContact O-N 2.82Å; A45-R47 VanDerWaalsContact C-N 3.33Å |
| 46 | G | 95.8 | Very high | 92.7 | Very high | 36 Ų | 36 | 34.9 Ų | 34.9 | 37% | 0.371 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | 18 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L42 T43 L44 | L42-G46 PolarHBondContact O-N 3.12Å; T43-G46 WeakPolarHBondContact O-CA 3.4Å; T43-G46 PolarHBondContact O-N 3.29Å; L44-G46 PolarHBondContact O-N 3.33Å |
| 47 | R | 98.2 | Very high | 91.8 | Very high | 139 Ų | 139 | 36.5 Ų | 36.5 | 53% | 0.525 | 22% | 0.224 | S | C | . | . | trans | -90.6 | 140.9 | 176.5 | -58.9 | -174.1 | 179.1 | -162.6 | 1.9 | 111.4 | L42 A45 L193 E217 | L42-R47 HydrophobicContact CB-CB 4.34Å; L42-R47 WeakPolarHBondContact O-CB 3.38Å; L42-R47 PolarHBondContact O-N 2.95Å; A45-R47 VanDerWaalsContact C-N 3.33Å; R47-L193 VanDerWaalsContact O-CD1 3.25Å; R47-L193 WeakPolarHBondContact O-CD1 3.3Å; R47-E217 IonicContact NH1-OE1 3.35Å | ||
| 48 | D | 98.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | trans | -69.5 | 144.9 | 176.9 | -76.1 | 4.3 | 0 | 0 | 0 | 111.5 | N194 M213 N214 A216 E217 | D48-N194 VanDerWaalsContact CA-O 3.28Å; D48-N194 WeakPolarHBondContact CA-O 3.17Å; D48-N194 WeakPolarHBondContact CB-O 3.4Å; D48-N194 PolarHBondContact OD1-N 2.91Å; D48-N194 PolarHBondContact OD1-ND2 2.69Å; D48-N194 VanDerWaalsContact OD2-CB 3.32Å; D48-N194 WeakPolarHBondContact OD2-CB 3.46Å; D48-N194 PolarHBondContact OD2-ND2 3.15Å; D48-M213 HydrophobicContact CB-CB 4.36Å; D48-M213 HydrophobicContact CB-CE 3.84Å; D48-N214 PolarHBondContact OD2-N 3Å; D48-A216 HydrophobicContact CB-CB 3.96Å; D48-A216 WeakPolarHBondContact O-CA 3.42Å; D48-E217 PolarHBondContact O-N 3.32Å | ||
| 49 | V | 98.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 130.7 | -178.2 | 167.7 | 0 | 0 | 0 | 0 | 111.2 | A39 L42 T43 N194 M195 L196 F197 M213 E217 I219 | A39-V49 HydrophobicContact CB-CG1 4.32Å; L42-V49 HydrophobicContact CB-CG2 3.77Å; L42-V49 HydrophobicContact CD1-CG2 4.13Å; T43-V49 HydrophobicContact CG2-CB 4.02Å; T43-V49 HydrophobicContact CG2-CG2 3.65Å; V49-N194 PolarHBondContact N-O 3.39Å; V49-M195 WeakPolarHBondContact O-CA 3.44Å; V49-L196 PolarHBondContact O-N 3.36Å; V49-F197 HydrophobicContact CG1-CZ 4.36Å; V49-M213 VanDerWaalsContact C-CE 3.48Å; V49-M213 WeakPolarHBondContact O-CE 3.3Å; V49-E217 WeakPolarHBondContact CA-O 3.29Å; V49-I219 HydrophobicContact CB-CD1 4.41Å; V49-I219 HydrophobicContact CG1-CD1 3.49Å; V49-I219 VanDerWaalsContact CG1-CD1 3.49Å; V49-I219 HydrophobicContact CG1-CG1 4.06Å; V49-I219 HydrophobicContact CG2-CD1 3.98Å |
| 50 | A | 97.9 | Very high | 91 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 100.2 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | L196 L201 A209 M213 E217 Y218 I219 | A50-L196 CarbonylContact C-O 3.57Å; A50-L196 WeakPolarHBondContact CA-O 3.11Å; A50-L196 HydrophobicContact CB-CD2 4.5Å; A50-L201 HydrophobicContact CB-CD2 4.41Å; A50-A209 HydrophobicContact CB-CB 4.15Å; A50-M213 HydrophobicContact CB-SD 4.46Å; A50-E217 PolarHBondContact N-O 3.09Å; A50-Y218 HydrophobicContact CB-CD1 3.73Å; A50-Y218 HydrophobicContact CB-CE1 3.81Å; A50-Y218 HydrophobicContact CB-CG 4.44Å; A50-Y218 WeakPolarHBondContact O-CA 3.48Å; A50-I219 PolarHBondContact O-N 2.9Å |
| 51 | G | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L196 F197 S198 I219 | G51-L196 PolarHBondContact N-O 3.43Å; G51-F197 WeakPolarHBondContact O-CA 3.08Å; G51-S198 PolarHBondContact O-N 2.89Å; G51-I219 CarbonylContact C-O 3.56Å; G51-I219 WeakPolarHBondContact CA-O 3.08Å |
| 52 | Q | 90.8 | Very high | 90.8 | Very high | 37 Ų | 37 | 31.4 Ų | 31.4 | 17% | 0.173 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.2 | 166.4 | -163.3 | 175.5 | -82.2 | 0 | 0 | 110.2 | S198 A199 L201 I219 E220 V221 | Q52-S198 WeakPolarHBondContact CA-O 3.4Å; Q52-A199 WeakPolarHBondContact CG-O 3.42Å; Q52-L201 HydrophobicContact CB-CD1 3.75Å; Q52-L201 HydrophobicContact CB-CG 3.79Å; Q52-L201 HydrophobicContact CG-CG 4.26Å; Q52-I219 PolarHBondContact N-O 3.48Å; Q52-E220 HydrophobicContact CB-CB 4.41Å; Q52-E220 HydrophobicContact CB-CG 4.02Å; Q52-V221 PolarHBondContact O-N 3.05Å |
| 53 | A | 85.7 | Confident | 90.8 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 1% | 0.008 | 19% | 0.186 | C | C | . | . | trans | -158 | 153.2 | 164 | 0 | 0 | 0 | 0 | 0 | 110.3 | I35 T57 K59 S198 V221 | I35-A53 HydrophobicContact CB-CB 4.02Å; I35-A53 HydrophobicContact CD1-CB 4.26Å; I35-A53 HydrophobicContact CG1-CB 3.98Å; I35-A53 HydrophobicContact CG2-CB 4.35Å; A53-T57 HydrophobicContact CB-CG2 4.44Å; A53-T57 VanDerWaalsContact CB-OG1 3.22Å; A53-T57 WeakPolarHBondContact CB-OG1 3.48Å; A53-K59 HydrophobicContact CB-CD 4Å; A53-K59 HydrophobicContact CB-CG 4.05Å; A53-K59 WeakPolarHBondContact O-CD 3.13Å; A53-K59 VanDerWaalsContact O-CE 3.29Å; A53-K59 WeakPolarHBondContact O-CE 3.48Å; A53-K59 PolarHBondContact O-NZ 3.25Å; A53-S198 PolarHBondContact N-O 3.12Å; A53-S198 VanDerWaalsContact O-O 3.09Å; A53-V221 HydrophobicContact CB-CB 4.25Å | ||
| 54 | Q | 76.1 | Confident | 90.8 | Very high | 72 Ų | 72 | 29.5 Ų | 29.5 | 34% | 0.336 | 19% | 0.186 | S | C | . | . | trans | -62.4 | 161.2 | 177.3 | -69.5 | -176.2 | -18 | 0 | 0 | 112.5 | T57 P223 | Q54-T57 HydrophobicContact CB-CG2 3.96Å; Q54-T57 WeakPolarHBondContact O-CB 3.4Å; Q54-T57 WeakPolarHBondContact O-CG2 3.22Å; Q54-T57 PolarHBondContact O-N 3.01Å; Q54-T57 PolarHBondContact O-OG1 3.37Å; Q54-P223 HydrophobicContact CG-CB 4.22Å; Q54-P223 HydrophobicContact CG-CG 4.32Å; Q54-P223 VanDerWaalsContact NE2-CB 3.26Å; Q54-P223 VanDerWaalsContact NE2-CG 3.3Å | ||
| 55 | T | 72.8 | Confident | 90.9 | Very high | 52 Ų | 52 | 27.9 Ų | 27.9 | 32% | 0.319 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 141.5 | 173.1 | -54.5 | 0 | 0 | 0 | 0 | 110.7 | T57 | T55-T57 VanDerWaalsContact C-N 3.34Š|
| 56 | G | 70 | Confident | 91 | Very high | 67 Ų | 67 | 24.6 Ų | 24.6 | 69% | 0.691 | 15% | 0.15 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 81.7 | 6.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 57 | T | 76.2 | Confident | 91.2 | Very high | 38 Ų | 38 | 22.9 Ų | 22.9 | 23% | 0.233 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -89.5 | 3.8 | 178.2 | 58.8 | 0 | 0 | 0 | 0 | 114.2 | T33 I35 A53 Q54 T55 | T33-T57 WeakPolarHBondContact CB-O 3.41Å; T33-T57 WeakPolarHBondContact CG2-O 3.08Å; T33-T57 PolarHBondContact OG1-O 3Å; I35-T57 VanDerWaalsContact CG2-O 3.23Å; I35-T57 WeakPolarHBondContact CG2-O 3.46Å; A53-T57 HydrophobicContact CB-CG2 4.44Å; A53-T57 VanDerWaalsContact CB-OG1 3.22Å; A53-T57 WeakPolarHBondContact CB-OG1 3.48Å; Q54-T57 HydrophobicContact CB-CG2 3.96Å; Q54-T57 WeakPolarHBondContact O-CB 3.4Å; Q54-T57 WeakPolarHBondContact O-CG2 3.22Å; Q54-T57 PolarHBondContact O-N 3.01Å; Q54-T57 PolarHBondContact O-OG1 3.37Å; T55-T57 VanDerWaalsContact C-N 3.34Å |
| 58 | G | 84.6 | Confident | 91.2 | Very high | 21 Ų | 21 | 16.2 Ų | 16.2 | 22% | 0.216 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 94.9 | 14 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q36 T60 M61 A62 | Q36-G58 PolarHBondContact NE2-O 3.4Å; G58-T60 VanDerWaalsContact C-N 3.29Å; G58-T60 PolarHBondContact O-N 3.11Å; G58-M61 PolarHBondContact O-N 3.49Å; G58-A62 PolarHBondContact O-N 2.96Å |
| 59 | K | 92 | Very high | 91.2 | Very high | 11 Ų | 11 | 17 Ų | 17 | 5% | 0.048 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -50.8 | -45.1 | 175.8 | -64.4 | -175.2 | -65.5 | -169.4 | 0 | 113 | I35 A53 M61 A62 F63 F197 S198 | I35-K59 HydrophobicContact CG1-CG 4.33Å; I35-K59 HydrophobicContact CG2-CG 4.4Å; A53-K59 HydrophobicContact CB-CD 4Å; A53-K59 HydrophobicContact CB-CG 4.05Å; A53-K59 WeakPolarHBondContact O-CD 3.13Å; A53-K59 VanDerWaalsContact O-CE 3.29Å; A53-K59 WeakPolarHBondContact O-CE 3.48Å; A53-K59 PolarHBondContact O-NZ 3.25Å; K59-M61 PolarHBondContact O-N 3.05Å; K59-A62 VanDerWaalsContact O-CB 3.29Å; K59-A62 WeakPolarHBondContact O-CB 3.47Å; K59-A62 PolarHBondContact O-N 3.47Å; K59-F63 WeakPolarHBondContact O-CD1 3.42Å; K59-F63 PolarHBondContact O-N 3.3Å; K59-F63 VanDerWaalsContact O-N 3.17Å; K59-F197 HydrophobicContact CB-CB 4.42Å; K59-F197 HydrophobicContact CB-CD1 4.05Å; K59-F197 HydrophobicContact CB-CG 4.37Å; K59-F197 HydrophobicContact CD-CB 4.17Å; K59-F197 HydrophobicContact CD-CD1 4.17Å; K59-F197 HydrophobicContact CG-CD1 4.02Å; K59-S198 PolarHBondContact NZ-O 2.98Å |
| 60 | T | 94.1 | Very high | 91.2 | Very high | 22 Ų | 22 | 18.4 Ų | 18.4 | 14% | 0.135 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -56.6 | -50.2 | -178.3 | -50 | 0 | 0 | 0 | 0 | 112.7 | G58 A62 F63 L64 I100 D103 | G58-T60 VanDerWaalsContact C-N 3.29Å; G58-T60 PolarHBondContact O-N 3.11Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.9Å; T60-F63 VanDerWaalsContact CA-CE1 3.42Å; T60-F63 HydrophobicContact CG2-CE1 4.47Å; T60-F63 HydrophobicContact CG2-CE2 4.27Å; T60-F63 HydrophobicContact CG2-CZ 3.84Å; T60-F63 PolarHBondContact O-N 2.7Å; T60-L64 HydrophobicContact CG2-CD1 3.81Å; T60-L64 HydrophobicContact CG2-CG 4.32Å; T60-L64 WeakPolarHBondContact O-CB 3.18Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 3.14Å; T60-I100 HydrophobicContact CG2-CG1 4.21Å; T60-D103 HydrophobicContact CG2-CB 4.07Å; T60-D103 WeakPolarHBondContact CG2-OD2 3.44Å |
| 61 | M | 94.9 | Very high | 91.2 | Very high | 16 Ų | 16 | 18.5 Ų | 18.5 | 8% | 0.079 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -69.5 | -24.7 | 177.7 | -67.6 | -52.4 | -60.5 | 0 | 0 | 113 | L24 F29 G58 K59 L64 T65 L107 | L24-M61 HydrophobicContact CD2-CE 3.29Å; F29-M61 HydrophobicContact CD2-CE 3.98Å; F29-M61 HydrophobicContact CE1-CG 4.02Å; F29-M61 HydrophobicContact CE2-CE 3.89Å; F29-M61 HydrophobicContact CE2-CG 4.18Å; F29-M61 HydrophobicContact CE2-SD 4.06Å; F29-M61 HydrophobicContact CZ-CE 4.49Å; F29-M61 HydrophobicContact CZ-CG 3.82Å; F29-M61 HydrophobicContact CZ-SD 4.18Å; G58-M61 PolarHBondContact O-N 3.49Å; K59-M61 PolarHBondContact O-N 3.05Å; M61-L64 HydrophobicContact SD-CD1 4.3Å; M61-T65 WeakPolarHBondContact O-CB 3.4Å; M61-T65 PolarHBondContact O-N 2.94Å; M61-T65 PolarHBondContact O-OG1 3.14Å; M61-L107 HydrophobicContact CE-CD1 4.13Å |
| 62 | A | 96.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -64 | -53.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q36 G58 K59 T60 S66 F197 | Q36-A62 HydrophobicContact CG-CB 3.84Å; G58-A62 PolarHBondContact O-N 2.96Å; K59-A62 VanDerWaalsContact O-CB 3.29Å; K59-A62 WeakPolarHBondContact O-CB 3.47Å; K59-A62 PolarHBondContact O-N 3.47Å; T60-A62 VanDerWaalsContact C-N 3.28Å; T60-A62 PolarHBondContact O-N 2.9Å; A62-S66 WeakPolarHBondContact O-CB 3.44Å; A62-S66 PolarHBondContact O-N 2.88Å; A62-S66 VanDerWaalsContact O-N 3.11Å; A62-S66 PolarHBondContact O-OG 3.24Å; A62-F197 HydrophobicContact CB-CE1 4.5Å; A62-F197 HydrophobicContact CB-CZ 4.28Å |
| 63 | F | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -75.4 | -31.7 | -178.4 | 66 | -114.5 | 0 | 0 | 0 | 113.3 | K59 T60 T67 I89 I100 V163 D165 M195 F197 | K59-F63 WeakPolarHBondContact O-CD1 3.42Å; K59-F63 PolarHBondContact O-N 3.3Å; K59-F63 VanDerWaalsContact O-N 3.17Å; T60-F63 VanDerWaalsContact CA-CE1 3.42Å; T60-F63 HydrophobicContact CG2-CE1 4.47Å; T60-F63 HydrophobicContact CG2-CE2 4.27Å; T60-F63 HydrophobicContact CG2-CZ 3.84Å; T60-F63 PolarHBondContact O-N 2.7Å; F63-T67 VanDerWaalsContact O-CB 3.27Å; F63-T67 WeakPolarHBondContact O-CB 3.31Å; F63-T67 PolarHBondContact O-N 2.98Å; F63-T67 PolarHBondContact O-OG1 3.23Å; F63-I89 HydrophobicContact CD2-CD1 4.22Å; F63-I89 HydrophobicContact CE2-CD1 4.1Å; F63-I89 HydrophobicContact CE2-CG2 4.02Å; F63-I89 HydrophobicContact CZ-CG2 4.43Å; F63-I100 HydrophobicContact CE2-CG2 3.85Å; F63-I100 HydrophobicContact CZ-CD1 4.05Å; F63-I100 HydrophobicContact CZ-CG1 4.15Å; F63-I100 HydrophobicContact CZ-CG2 4.11Å; F63-V163 HydrophobicContact CB-CG1 3.93Å; F63-V163 HydrophobicContact CB-CG2 4.17Å; F63-V163 HydrophobicContact CD1-CG1 3.89Å; F63-V163 HydrophobicContact CD2-CG1 3.88Å; F63-V163 HydrophobicContact CD2-CG2 4.28Å; F63-V163 HydrophobicContact CE1-CG1 4.28Å; F63-V163 HydrophobicContact CE2-CG1 4.32Å; F63-V163 HydrophobicContact CG-CG1 3.67Å; F63-V163 HydrophobicContact CG-CG2 4.43Å; F63-V163 HydrophobicContact CZ-CG1 4.5Å; F63-D165 HydrophobicContact CE1-CB 4Å; F63-D165 WeakPolarHBondContact CE1-OD2 3.33Å; F63-D165 HydrophobicContact CZ-CB 4.24Å; F63-M195 HydrophobicContact CB-CE 4.24Å; F63-M195 HydrophobicContact CB-SD 3.94Å; F63-F197 HydrophobicContact CB-CD2 3.99Å; F63-F197 HydrophobicContact CB-CE2 3.64Å; F63-F197 AromaticContact CD1-CD2 3.75Å; F63-F197 HydrophobicContact CD1-CD2 3.75Å; F63-F197 HydrophobicContact CD1-CE2 4.19Å; F63-F197 HydrophobicContact CD1-CG 4.29Å; F63-F197 HydrophobicContact CG-CD2 4.35Å; F63-F197 HydrophobicContact CG-CE2 4.44Å |
| 64 | L | 98.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.6 | -49.6 | 175.1 | -72.6 | 179.5 | 0 | 0 | 0 | 110.1 | T60 M61 S66 T67 F68 I89 I100 D103 A104 L107 | T60-L64 HydrophobicContact CG2-CD1 3.81Å; T60-L64 HydrophobicContact CG2-CG 4.32Å; T60-L64 WeakPolarHBondContact O-CB 3.18Å; T60-L64 VanDerWaalsContact O-CG 3.29Å; T60-L64 WeakPolarHBondContact O-CG 3.4Å; T60-L64 PolarHBondContact O-N 3.14Å; M61-L64 HydrophobicContact SD-CD1 4.3Å; L64-S66 VanDerWaalsContact C-N 3.29Å; L64-S66 PolarHBondContact O-N 2.89Å; L64-T67 PolarHBondContact O-N 3.2Å; L64-T67 VanDerWaalsContact O-N 3.14Å; L64-F68 HydrophobicContact CD2-CE2 4.4Å; L64-F68 VanDerWaalsContact O-CD2 3.29Å; L64-F68 WeakPolarHBondContact O-CD2 3.41Å; L64-F68 PolarHBondContact O-N 3.43Å; L64-I89 HydrophobicContact CD2-CD1 3.7Å; L64-I100 HydrophobicContact CD2-CG2 4.14Å; L64-D103 HydrophobicContact CD1-CB 3.77Å; L64-A104 HydrophobicContact CD1-CB 4.09Å; L64-A104 HydrophobicContact CD2-CB 3.85Å; L64-L107 HydrophobicContact CB-CD1 3.83Å |
| 65 | T | 98.5 | Very high | 93 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -54.4 | -47.5 | 176.1 | -61.3 | 0 | 0 | 0 | 0 | 111.3 | F11 L16 V20 L24 L40 M61 H69 | F11-T65 HydrophobicContact CD1-CG2 4.4Å; F11-T65 HydrophobicContact CE1-CG2 4.45Å; L16-T65 HydrophobicContact CD1-CG2 3.83Å; L16-T65 HydrophobicContact CD2-CG2 3.49Å; L16-T65 VanDerWaalsContact CD2-CG2 3.49Å; L16-T65 HydrophobicContact CG-CG2 4.35Å; V20-T65 HydrophobicContact CG1-CG2 3.93Å; L24-T65 HydrophobicContact CD1-CG2 4.01Å; L40-T65 HydrophobicContact CD2-CG2 3.83Å; M61-T65 WeakPolarHBondContact O-CB 3.4Å; M61-T65 PolarHBondContact O-N 2.94Å; M61-T65 PolarHBondContact O-OG1 3.14Å; T65-H69 VanDerWaalsContact O-CB 3.28Å; T65-H69 WeakPolarHBondContact O-CB 3.42Å; T65-H69 PolarHBondContact O-N 2.81Å |
| 66 | S | 98.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 177.3 | -55.7 | 0 | 0 | 0 | 0 | 112.3 | T43 A62 L64 Y70 | T43-S66 WeakPolarHBondContact CB-OG 3.21Å; T43-S66 WeakPolarHBondContact OG1-CB 3.39Å; T43-S66 PolarHBondContact OG1-OG 3.24Å; A62-S66 WeakPolarHBondContact O-CB 3.44Å; A62-S66 PolarHBondContact O-N 2.88Å; A62-S66 VanDerWaalsContact O-N 3.11Å; A62-S66 PolarHBondContact O-OG 3.24Å; L64-S66 VanDerWaalsContact C-N 3.29Å; L64-S66 PolarHBondContact O-N 2.89Å; S66-Y70 VanDerWaalsContact O-CB 3.25Å; S66-Y70 WeakPolarHBondContact O-CB 3.33Å; S66-Y70 PolarHBondContact O-N 2.91Å |
| 67 | T | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.7 | -50.8 | -179.3 | -60.3 | 0 | 0 | 0 | 0 | 111.2 | F63 L64 Y70 L71 A87 I137 V161 M195 | F63-T67 VanDerWaalsContact O-CB 3.27Å; F63-T67 WeakPolarHBondContact O-CB 3.31Å; F63-T67 PolarHBondContact O-N 2.98Å; F63-T67 PolarHBondContact O-OG1 3.23Å; L64-T67 PolarHBondContact O-N 3.2Å; L64-T67 VanDerWaalsContact O-N 3.14Å; T67-Y70 PolarHBondContact O-N 3.38Å; T67-L71 HydrophobicContact CG2-CD1 4.28Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.32Å; T67-A87 HydrophobicContact CG2-CB 3.64Å; T67-I137 HydrophobicContact CG2-CD1 4.25Å; T67-V161 HydrophobicContact CG2-CB 4.3Å; T67-V161 HydrophobicContact CG2-CG1 4.14Å; T67-M195 WeakPolarHBondContact OG1-CE 3.09Å |
| 68 | F | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65 | -43.8 | -178.9 | -84.7 | -94.5 | 0 | 0 | 0 | 111.7 | V20 L64 Y70 L71 L72 A104 L107 A108 T111 L113 L115 I137 | V20-F68 HydrophobicContact CG2-CB 3.99Å; L64-F68 HydrophobicContact CD2-CE2 4.4Å; L64-F68 VanDerWaalsContact O-CD2 3.29Å; L64-F68 WeakPolarHBondContact O-CD2 3.41Å; L64-F68 PolarHBondContact O-N 3.43Å; F68-Y70 PolarHBondContact O-N 3.02Å; F68-L71 PolarHBondContact O-N 3.11Å; F68-L72 WeakPolarHBondContact O-CD1 3.46Å; F68-L72 VanDerWaalsContact O-CG 3.26Å; F68-L72 WeakPolarHBondContact O-CG 3.3Å; F68-L72 PolarHBondContact O-N 2.93Å; F68-L72 VanDerWaalsContact O-N 3.15Å; F68-A104 HydrophobicContact CE2-CB 4.11Å; F68-A104 HydrophobicContact CZ-CB 4.33Å; F68-L107 HydrophobicContact CD1-CB 3.79Å; F68-L107 HydrophobicContact CD2-CB 3.82Å; F68-L107 HydrophobicContact CD2-CD1 3.88Å; F68-L107 HydrophobicContact CD2-CG 4.36Å; F68-L107 HydrophobicContact CE1-CB 3.62Å; F68-L107 HydrophobicContact CE2-CB 3.62Å; F68-L107 HydrophobicContact CE2-CD1 4.01Å; F68-L107 HydrophobicContact CE2-CG 4.44Å; F68-L107 HydrophobicContact CG-CB 3.88Å; F68-L107 HydrophobicContact CG-CD1 4.45Å; F68-L107 HydrophobicContact CZ-CB 3.5Å; F68-A108 HydrophobicContact CE1-CB 4.23Å; F68-A108 HydrophobicContact CZ-CB 4.17Å; F68-T111 HydrophobicContact CD1-CG2 3.97Å; F68-T111 WeakPolarHBondContact CD1-OG1 3.5Å; F68-T111 WeakPolarHBondContact CE1-OG1 3.13Å; F68-L113 HydrophobicContact CD1-CD1 3.71Å; F68-L113 HydrophobicContact CE1-CB 4.11Å; F68-L113 HydrophobicContact CE1-CD1 4.05Å; F68-L115 HydrophobicContact CZ-CD2 4.1Å; F68-I137 HydrophobicContact CD1-CD1 4.21Å; F68-I137 HydrophobicContact CD2-CD1 3.98Å; F68-I137 HydrophobicContact CE1-CD1 3.78Å; F68-I137 HydrophobicContact CE2-CD1 3.56Å; F68-I137 HydrophobicContact CG-CD1 4.31Å; F68-I137 HydrophobicContact CZ-CD1 3.46Å; F68-I137 VanDerWaalsContact CZ-CD1 3.46Å |
| 69 | H | 98.4 | Very high | 96.1 | Very high | 19 Ų | 19 | 36 Ų | 36 | 9% | 0.088 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 174.2 | 169.5 | 79.6 | 0 | 0 | 0 | 111.6 | A15 L16 H17 L44 T65 L71 L72 S73 | A15-H69 PolarHBondContact O-CE1 3.24Å; L16-H69 HydrophobicContact CD2-CB 4.02Å; H17-H69 PolarHBondContact N-ND1 3.06Å; H17-H69 VanDerWaalsContact N-ND1 3.16Å; L44-H69 HydrophobicContact CD2-CB 3.79Å; L44-H69 WeakPolarHBondContact CD2-CD2 3.27Å; L44-H69 VanDerWaalsContact CD2-CG 3.46Å; T65-H69 VanDerWaalsContact O-CB 3.28Å; T65-H69 WeakPolarHBondContact O-CB 3.42Å; T65-H69 PolarHBondContact O-N 2.81Å; H69-L71 PolarHBondContact O-N 2.72Å; H69-L72 PolarHBondContact O-N 3.35Å; H69-S73 PolarHBondContact CE1-OG 3.31Å; H69-S73 WeakPolarHBondContact O-CB 3.16Å; H69-S73 PolarHBondContact O-N 2.85Å; H69-S73 PolarHBondContact O-OG 3.14Å |
| 70 | Y | 98.6 | Very high | 96.3 | Very high | 30 Ų | 30 | 39.3 Ų | 39.3 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.7 | -45.9 | -178.1 | -168.7 | -80.7 | 0 | 0 | 0 | 111.7 | S66 T67 F68 L72 S73 H74 Q160 V161 L193 | S66-Y70 VanDerWaalsContact O-CB 3.25Å; S66-Y70 WeakPolarHBondContact O-CB 3.33Å; S66-Y70 PolarHBondContact O-N 2.91Å; T67-Y70 PolarHBondContact O-N 3.38Å; F68-Y70 PolarHBondContact O-N 3.02Å; Y70-L72 VanDerWaalsContact C-N 3.29Å; Y70-L72 PolarHBondContact O-N 2.97Å; Y70-S73 PolarHBondContact O-N 3.4Å; Y70-H74 HydrophobicContact CD1-CB 4.4Å; Y70-H74 AromaticContact CD1-ND1 3.62Å; Y70-H74 AromaticContact CD2-CE1 3.74Å; Y70-H74 AromaticContact CD2-ND1 3.73Å; Y70-H74 HydrophobicContact CE1-CB 4.14Å; Y70-H74 AromaticContact CE1-CG 3.82Å; Y70-H74 AromaticContact CE1-ND1 3.61Å; Y70-H74 AromaticContact CE2-CE1 3.54Å; Y70-H74 AromaticContact CE2-ND1 3.73Å; Y70-H74 AromaticContact CG-ND1 3.69Å; Y70-H74 AromaticContact CZ-CE1 3.8Å; Y70-H74 AromaticContact CZ-ND1 3.68Å; Y70-H74 WeakPolarHBondContact O-CB 3.43Å; Y70-H74 PolarHBondContact O-N 2.69Å; Y70-H74 PolarHBondContact O-ND1 2.84Å; Y70-Q160 HydrophobicContact CE1-CB 4.07Å; Y70-V161 HydrophobicContact CD1-CG2 3.44Å; Y70-V161 VanDerWaalsContact CD1-CG2 3.44Å; Y70-V161 HydrophobicContact CE1-CG2 4.13Å; Y70-V161 HydrophobicContact CG-CG2 3.82Å; Y70-L193 HydrophobicContact CD2-CB 4.01Å; Y70-L193 HydrophobicContact CD2-CD2 3.77Å; Y70-L193 HydrophobicContact CD2-CG 4.49Å; Y70-L193 HydrophobicContact CE2-CB 3.85Å; Y70-L193 HydrophobicContact CE2-CD2 4.39Å; Y70-L193 HydrophobicContact CG-CB 4.49Å; Y70-L193 HydrophobicContact CG-CD2 4.18Å |
| 71 | L | 98.6 | Very high | 96.4 | Very high | 2 Ų | 2 | 44.8 Ų | 44.8 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.9 | -24.7 | -179.2 | -67.7 | -172.9 | 0 | 0 | 0 | 114 | T67 F68 H69 R86 A87 L113 I137 Q160 V161 | T67-L71 HydrophobicContact CG2-CD1 4.28Å; T67-L71 WeakPolarHBondContact O-CG 3.4Å; T67-L71 PolarHBondContact O-N 3.32Å; F68-L71 PolarHBondContact O-N 3.11Å; H69-L71 PolarHBondContact O-N 2.72Å; L71-R86 HydrophobicContact CD1-CB 4.17Å; L71-R86 HydrophobicContact CD2-CB 3.64Å; L71-R86 PolarHBondContact O-NH1 3.33Å; L71-R86 PolarHBondContact O-NH2 2.9Å; L71-A87 HydrophobicContact CD1-CB 3.92Å; L71-L113 HydrophobicContact CB-CD1 3.94Å; L71-L113 HydrophobicContact CD1-CD1 4.11Å; L71-I137 HydrophobicContact CD1-CD1 4.05Å; L71-I137 HydrophobicContact CD1-CG1 3.63Å; L71-Q160 HydrophobicContact CD2-CB 4.1Å; L71-V161 HydrophobicContact CD2-CG2 4.06Å; L71-V161 HydrophobicContact CG-CG2 4.43Å |
| 72 | L | 97.8 | Very high | 96.5 | Very high | 47 Ų | 47 | 48.3 Ų | 48.3 | 25% | 0.246 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -82.6 | -30.9 | 173.8 | -68.6 | 166.2 | 0 | 0 | 0 | 112.2 | H17 V20 F68 H69 Y70 T111 | H17-L72 HydrophobicContact CB-CB 4.28Å; H17-L72 HydrophobicContact CB-CD1 4.09Å; V20-L72 HydrophobicContact CG2-CD1 3.73Å; F68-L72 WeakPolarHBondContact O-CD1 3.46Å; F68-L72 VanDerWaalsContact O-CG 3.26Å; F68-L72 WeakPolarHBondContact O-CG 3.3Å; F68-L72 PolarHBondContact O-N 2.93Å; F68-L72 VanDerWaalsContact O-N 3.15Å; H69-L72 PolarHBondContact O-N 3.35Å; Y70-L72 VanDerWaalsContact C-N 3.29Å; Y70-L72 PolarHBondContact O-N 2.97Å; L72-T111 HydrophobicContact CD1-CG2 3.6Å |
| 73 | S | 96.7 | Very high | 96.5 | Very high | 57 Ų | 57 | 50.4 Ų | 50.4 | 40% | 0.399 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -86.3 | -20.6 | -178.2 | -51.8 | 0 | 0 | 0 | 0 | 113 | H69 Y70 | H69-S73 PolarHBondContact CE1-OG 3.31Å; H69-S73 WeakPolarHBondContact O-CB 3.16Å; H69-S73 PolarHBondContact O-N 2.85Å; H69-S73 PolarHBondContact O-OG 3.14Å; Y70-S73 PolarHBondContact O-N 3.4Å |
| 74 | H | 96.6 | Very high | 96.5 | Very high | 75 Ų | 75 | 51.6 Ų | 51.6 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -116.7 | 123.5 | 175.9 | -59.1 | 85.6 | 0 | 0 | 0 | 108.5 | Y70 R86 | Y70-H74 HydrophobicContact CD1-CB 4.4Å; Y70-H74 AromaticContact CD1-ND1 3.62Å; Y70-H74 AromaticContact CD2-CE1 3.74Å; Y70-H74 AromaticContact CD2-ND1 3.73Å; Y70-H74 HydrophobicContact CE1-CB 4.14Å; Y70-H74 AromaticContact CE1-CG 3.82Å; Y70-H74 AromaticContact CE1-ND1 3.61Å; Y70-H74 AromaticContact CE2-CE1 3.54Å; Y70-H74 AromaticContact CE2-ND1 3.73Å; Y70-H74 AromaticContact CG-ND1 3.69Å; Y70-H74 AromaticContact CZ-CE1 3.8Å; Y70-H74 AromaticContact CZ-ND1 3.68Å; Y70-H74 WeakPolarHBondContact O-CB 3.43Å; Y70-H74 PolarHBondContact O-N 2.69Å; Y70-H74 PolarHBondContact O-ND1 2.84Å; H74-R86 PolarHBondContact O-NH2 2.77Å |
| 75 | P | 94.7 | Very high | 96.5 | Very high | 109 Ų | 109 | 51.7 Ų | 51.7 | 71% | 0.708 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -65.7 | 159.9 | 176.4 | 26.5 | -33.2 | 0 | 0 | 0 | 111.6 | Q160 | P75-Q160 PolarHBondContact O-NE2 2.87Š|
| 76 | A | 95.4 | Very high | 96.5 | Very high | 34 Ų | 34 | 52.4 Ų | 52.4 | 28% | 0.281 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 154.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 77 | I | 92.8 | Very high | 96.5 | Very high | 85 Ų | 85 | 52.4 Ų | 52.4 | 44% | 0.436 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -58.6 | 142.3 | 170 | 64.1 | 175.1 | 0 | 0 | 0 | 110 | D79 R80 A158 | I77-D79 VanDerWaalsContact C-N 3.32Å; I77-D79 PolarHBondContact O-N 3.31Å; I77-R80 HydrophobicContact CG1-CB 3.77Å; I77-R80 HydrophobicContact CG1-CG 4.3Å; I77-R80 WeakPolarHBondContact O-CB 3.11Å; I77-R80 PolarHBondContact O-N 2.89Å; I77-R80 VanDerWaalsContact O-N 3.16Å; I77-A158 HydrophobicContact CD1-CB 3.63Å; I77-A158 HydrophobicContact CG1-CB 4.2Å |
| 78 | A | 89 | Confident | 96.5 | Very high | 103 Ų | 103 | 52.4 Ų | 52.4 | 85% | 0.851 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -42.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | R80 | A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.03Å |
| 79 | D | 91.1 | Very high | 96.6 | Very high | 146 Ų | 146 | 52.4 Ų | 52.4 | 78% | 0.781 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 29.4 | -177.3 | -57.2 | -46.5 | 0 | 0 | 0 | 113 | I77 K81 | I77-D79 VanDerWaalsContact C-N 3.32Å; I77-D79 PolarHBondContact O-N 3.31Å; D79-K81 PolarHBondContact O-N 3.05Å |
| 80 | R | 95.3 | Very high | 96.6 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 30% | 0.302 | 29% | 0.288 | S | S | . | . | trans | -60.6 | 124.4 | 179.7 | -167.4 | -173.7 | 84.6 | -160.3 | 21.3 | 110.3 | I77 A78 Q84 D136 A158 | I77-R80 HydrophobicContact CG1-CB 3.77Å; I77-R80 HydrophobicContact CG1-CG 4.3Å; I77-R80 WeakPolarHBondContact O-CB 3.11Å; I77-R80 PolarHBondContact O-N 2.89Å; I77-R80 VanDerWaalsContact O-N 3.16Å; A78-R80 VanDerWaalsContact C-N 3.34Å; A78-R80 PolarHBondContact O-N 3.03Å; R80-Q84 WeakPolarHBondContact CD-O 3.29Å; R80-Q84 HydrophobicContact CG-CB 3.9Å; R80-D136 IonicContact CZ-OD1 3.88Å; R80-D136 IonicContact NH1-OD1 3.41Å; R80-D136 PolarHBondContact NH1-OD1 2.66Å; R80-D136 IonicContact NH2-OD1 2.98Å; R80-D136 PolarHBondContact NH2-OD1 3.26Å; R80-A158 HydrophobicContact CG-CB 4.15Å | ||
| 81 | K | 96.6 | Very high | 96.4 | Very high | 137 Ų | 137 | 50.1 Ų | 50.1 | 60% | 0.596 | 28% | 0.282 | S | S | * | . | trans | -80.3 | 158.7 | 175.3 | -60.7 | -176.8 | -179.7 | -179.5 | 0 | 111.6 | D79 N83 Q84 | D79-K81 PolarHBondContact O-N 3.05Å; K81-N83 WeakPolarHBondContact CB-OD1 3.41Å; K81-N83 PolarHBondContact O-N 2.92Å; K81-Q84 HydrophobicContact CB-CG 4.1Å; K81-Q84 WeakPolarHBondContact O-CB 3.45Å; K81-Q84 PolarHBondContact O-N 2.78Å | ||
| 82 | V | 96.2 | Very high | 96 | Very high | 91 Ų | 91 | 50.3 Ų | 50.3 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.1 | 179.7 | 68.5 | 0 | 0 | 0 | 0 | 112.8 | Q84 G134 | V82-Q84 VanDerWaalsContact C-N 3.26Å; V82-Q84 PolarHBondContact O-N 2.75Å; V82-G134 WeakPolarHBondContact O-CA 3.43Å |
| 83 | N | 97.5 | Very high | 95.6 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 12.4 | -179.7 | 72.7 | -25.3 | 0 | 0 | 0 | 114 | K81 P85 N152 H153 I154 N155 | K81-N83 WeakPolarHBondContact CB-OD1 3.41Å; K81-N83 PolarHBondContact O-N 2.92Å; N83-P85 VanDerWaalsContact O-CD 3.23Å; N83-P85 WeakPolarHBondContact O-CD 3.42Å; N83-N152 PolarHBondContact ND2-O 2.89Å; N83-H153 WeakPolarHBondContact CB-O 3.37Å; N83-I154 CarbonylContact O-C 3.49Å; N83-I154 WeakPolarHBondContact O-CA 3.49Å; N83-N155 PolarHBondContact O-N 3.39Å |
| 84 | Q | 98.4 | Very high | 95.2 | Very high | 24 Ų | 24 | 50 Ų | 50 | 11% | 0.112 | 27% | 0.273 | C | S | . | . | trans | -108.3 | 92.1 | -178.8 | -74.1 | -178.1 | -40.5 | 0 | 0 | 111 | R80 K81 V82 N155 A158 | R80-Q84 WeakPolarHBondContact CD-O 3.29Å; R80-Q84 HydrophobicContact CG-CB 3.9Å; K81-Q84 HydrophobicContact CB-CG 4.1Å; K81-Q84 WeakPolarHBondContact O-CB 3.45Å; K81-Q84 PolarHBondContact O-N 2.78Å; V82-Q84 VanDerWaalsContact C-N 3.26Å; V82-Q84 PolarHBondContact O-N 2.75Å; Q84-N155 WeakPolarHBondContact CA-O 3.33Å; Q84-N155 HydrophobicContact CG-CB 3.84Å; Q84-N155 PolarHBondContact NE2-OD1 3.26Å; Q84-N155 VanDerWaalsContact NE2-OD1 3.14Å; Q84-A158 HydrophobicContact CB-CB 3.77Å; Q84-A158 HydrophobicContact CG-CB 4.35Å | ||
| 85 | P | 98.6 | Very high | 94.6 | Very high | 2 Ų | 2 | 47.3 Ų | 47.3 | 1% | 0.013 | 26% | 0.26 | C | S | . | . | trans | -60.9 | 150.8 | 172.2 | 25.7 | -33.5 | 0 | 0 | 0 | 111 | N83 V135 L138 L156 A158 I159 | N83-P85 VanDerWaalsContact O-CD 3.23Å; N83-P85 WeakPolarHBondContact O-CD 3.42Å; P85-V135 HydrophobicContact CB-CG2 4.34Å; P85-L138 HydrophobicContact CB-CB 4.03Å; P85-L138 HydrophobicContact CG-CB 4.36Å; P85-L138 HydrophobicContact CG-CD2 4.35Å; P85-L156 HydrophobicContact CG-CD2 4.31Å; P85-A158 CarbonylContact O-C 3.5Å; P85-I159 HydrophobicContact CB-CD1 4.32Å; P85-I159 HydrophobicContact CG-CD1 4.12Å; P85-I159 WeakPolarHBondContact O-CD1 3.11Å | ||
| 86 | R | 98.6 | Very high | 94.3 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 6% | 0.057 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -93.1 | -28.1 | 177.5 | -47.5 | 175.6 | 75.1 | -167.4 | -19.3 | 112.4 | L71 H74 D136 I159 Q160 V161 | L71-R86 HydrophobicContact CD1-CB 4.17Å; L71-R86 HydrophobicContact CD2-CB 3.64Å; L71-R86 PolarHBondContact O-NH1 3.33Å; L71-R86 PolarHBondContact O-NH2 2.9Å; H74-R86 PolarHBondContact O-NH2 2.77Å; R86-D136 CarbonylContact C-O 3.56Å; R86-D136 WeakPolarHBondContact CA-O 3.43Å; R86-D136 WeakPolarHBondContact CB-O 3.33Å; R86-D136 HydrophobicContact CG-CB 4.45Å; R86-D136 PolarHBondContact N-O 3.4Å; R86-I159 CarbonylContact O-C 3.58Å; R86-Q160 VanDerWaalsContact CZ-OE1 3.22Å; R86-Q160 PolarHBondContact O-N 2.89Å; R86-V161 PolarHBondContact O-N 3.23Å |
| 87 | A | 98.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 144.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T67 L71 D136 I137 L138 V161 | T67-A87 HydrophobicContact CG2-CB 3.64Å; L71-A87 HydrophobicContact CD1-CB 3.92Å; A87-D136 PolarHBondContact N-O 2.8Å; A87-I137 HydrophobicContact CB-CB 4.42Å; A87-I137 HydrophobicContact CB-CG1 4.19Å; A87-I137 HydrophobicContact CB-CG2 4.14Å; A87-L138 PolarHBondContact O-N 3.06Å; A87-V161 CarbonylContact C-O 3.59Å; A87-V161 WeakPolarHBondContact CA-O 3.39Å; A87-V161 HydrophobicContact CB-CB 3.96Å |
| 88 | L | 98.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 121.5 | 174 | -172 | 73.5 | 0 | 0 | 0 | 109.9 | M90 L138 L145 L156 I159 V161 V162 V163 M186 | L88-M90 HydrophobicContact CD2-CE 3.96Å; L88-M90 HydrophobicContact CD2-CG 4.08Å; L88-M90 HydrophobicContact CD2-SD 4.01Å; L88-M90 HydrophobicContact CG-CG 4.22Å; L88-L138 CarbonylContact C-O 3.48Å; L88-L138 WeakPolarHBondContact CA-O 3.15Å; L88-L138 HydrophobicContact CD1-CB 3.97Å; L88-L138 HydrophobicContact CD1-CD2 3.99Å; L88-L138 HydrophobicContact CD1-CG 3.91Å; L88-L145 HydrophobicContact CD1-CD1 3.89Å; L88-L145 HydrophobicContact CD1-CD2 3.77Å; L88-L145 HydrophobicContact CD1-CG 4.4Å; L88-L145 HydrophobicContact CD2-CD1 4.35Å; L88-L145 HydrophobicContact CG-CD1 4.35Å; L88-L156 HydrophobicContact CD2-CD2 4.44Å; L88-I159 HydrophobicContact CB-CD1 3.73Å; L88-V161 PolarHBondContact N-O 3.12Å; L88-V162 CarbonylContact O-C 3.55Å; L88-V162 WeakPolarHBondContact O-CA 3.12Å; L88-V163 PolarHBondContact O-N 3.36Å; L88-M186 HydrophobicContact CD2-CE 3.34Å |
| 89 | I | 98.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 116.9 | 175 | -54.1 | -179.2 | 0 | 0 | 0 | 108.2 | F63 L64 I100 I137 L138 I139 G140 V163 | F63-I89 HydrophobicContact CD2-CD1 4.22Å; F63-I89 HydrophobicContact CE2-CD1 4.1Å; F63-I89 HydrophobicContact CE2-CG2 4.02Å; F63-I89 HydrophobicContact CZ-CG2 4.43Å; L64-I89 HydrophobicContact CD2-CD1 3.7Å; I89-I100 HydrophobicContact CD1-CG2 4.46Å; I89-I100 HydrophobicContact CG2-CD1 4.25Å; I89-I100 HydrophobicContact CG2-CG2 4.07Å; I89-I137 HydrophobicContact CD1-CG2 4.11Å; I89-I137 HydrophobicContact CG1-CG2 4.42Å; I89-L138 PolarHBondContact N-O 3.47Å; I89-I139 HydrophobicContact CB-CG1 4.05Å; I89-I139 HydrophobicContact CB-CG2 4.42Å; I89-I139 HydrophobicContact CD1-CG1 4.16Å; I89-I139 HydrophobicContact CG1-CG1 4.39Å; I89-I139 CarbonylContact O-C 3.56Å; I89-I139 WeakPolarHBondContact O-CA 3.42Å; I89-G140 PolarHBondContact O-N 3.28Å; I89-V163 HydrophobicContact CB-CB 4.27Å; I89-V163 HydrophobicContact CD1-CG2 4.49Å; I89-V163 HydrophobicContact CG1-CB 4.01Å; I89-V163 HydrophobicContact CG1-CG2 3.99Å; I89-V163 HydrophobicContact CG2-CB 4.01Å; I89-V163 HydrophobicContact CG2-CG1 4.24Å |
| 90 | M | 98.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.4 | -177.6 | -76.2 | 172.7 | -77.3 | 0 | 0 | 110.5 | L88 G140 T142 L145 V162 V163 L164 D165 M170 L182 F183 M186 | L88-M90 HydrophobicContact CD2-CE 3.96Å; L88-M90 HydrophobicContact CD2-CG 4.08Å; L88-M90 HydrophobicContact CD2-SD 4.01Å; L88-M90 HydrophobicContact CG-CG 4.22Å; M90-G140 WeakPolarHBondContact CA-O 3.5Å; M90-T142 HydrophobicContact SD-CG2 4.39Å; M90-L145 HydrophobicContact CG-CD1 3.7Å; M90-V162 HydrophobicContact CE-CG2 3.42Å; M90-V162 VanDerWaalsContact CE-CG2 3.42Å; M90-V163 PolarHBondContact N-O 3.07Å; M90-L164 HydrophobicContact CB-CD2 4Å; M90-L164 HydrophobicContact CE-CD2 3.58Å; M90-L164 HydrophobicContact CE-CG 4.28Å; M90-L164 HydrophobicContact SD-CD2 4.09Å; M90-D165 PolarHBondContact O-N 2.75Å; M90-M170 HydrophobicContact CB-CE 4.42Å; M90-M170 HydrophobicContact CB-SD 4.33Å; M90-M170 WeakPolarHBondContact O-CE 3.29Å; M90-L182 HydrophobicContact SD-CD1 3.61Å; M90-F183 HydrophobicContact CE-CD2 4.36Å; M90-F183 HydrophobicContact CE-CE2 3.62Å; M90-F183 HydrophobicContact CE-CZ 4.32Å; M90-M186 HydrophobicContact CE-CE 4.39Å |
| 91 | A | 95.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 145.7 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | T93 L96 A97 I100 G140 T141 | A91-T93 VanDerWaalsContact C-N 3.28Å; A91-T93 PolarHBondContact O-N 3.23Å; A91-L96 HydrophobicContact CB-CB 4.05Å; A91-L96 HydrophobicContact CB-CD2 4Å; A91-L96 HydrophobicContact CB-CG 4Å; A91-A97 HydrophobicContact CB-CB 4.19Å; A91-I100 HydrophobicContact CB-CD1 4.09Å; A91-G140 PolarHBondContact N-O 2.86Å; A91-T141 WeakPolarHBondContact O-CA 3.3Å |
| 92 | P | 90.3 | Very high | 94.5 | Very high | 7 Ų | 7 | 22 Ų | 22 | 5% | 0.045 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -64.4 | -29.8 | 177.6 | 25 | -37.8 | 0 | 0 | 0 | 113.3 | L96 D165 E166 R169 M170 L173 F175 | P92-L96 HydrophobicContact CG-CD2 4.26Å; P92-D165 WeakPolarHBondContact CD-O 3.41Å; P92-E166 HydrophobicContact CG-CB 3.79Å; P92-R169 HydrophobicContact CB-CB 4.19Å; P92-R169 HydrophobicContact CB-CG 3.72Å; P92-R169 HydrophobicContact CG-CB 4.04Å; P92-R169 HydrophobicContact CG-CG 3.77Å; P92-M170 HydrophobicContact CB-CG 3.8Å; P92-M170 HydrophobicContact CG-CG 4.39Å; P92-L173 HydrophobicContact CB-CD1 3.81Å; P92-F175 WeakPolarHBondContact O-CE2 3.41Å |
| 93 | T | 88.3 | Confident | 94.4 | Very high | 15 Ų | 15 | 20.5 Ų | 20.5 | 9% | 0.092 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -125.3 | 156.8 | -174.1 | 72.5 | 0 | 0 | 0 | 0 | 111.9 | A91 E95 L96 A97 T141 | A91-T93 VanDerWaalsContact C-N 3.28Å; A91-T93 PolarHBondContact O-N 3.23Å; T93-E95 VanDerWaalsContact C-N 3.3Å; T93-L96 WeakPolarHBondContact OG1-CB 3.12Å; T93-L96 PolarHBondContact OG1-N 2.66Å; T93-A97 PolarHBondContact O-N 2.82Å; T93-A97 VanDerWaalsContact O-N 3.13Å; T93-T141 VanDerWaalsContact C-CG2 3.41Å; T93-T141 WeakPolarHBondContact O-CG2 3.29Å |
| 94 | R | 88.5 | Confident | 94.4 | Very high | 83 Ų | 83 | 18.4 Ų | 18.4 | 31% | 0.313 | 10% | 0.096 | S | C | . | . | H | α-helix | trans | -68.7 | -38.2 | -176.9 | -53 | 177.7 | 174.8 | 161.6 | -2.9 | 110.4 | A97 V98 Y119 G120 T141 Q292 | R94-A97 WeakPolarHBondContact O-CB 3.45Å; R94-A97 PolarHBondContact O-N 3.48Å; R94-V98 VanDerWaalsContact O-CG2 3.29Å; R94-V98 WeakPolarHBondContact O-CG2 3.27Å; R94-V98 PolarHBondContact O-N 2.92Å; R94-Y119 HydrophobicContact CB-CD2 3.93Å; R94-Y119 HydrophobicContact CB-CG 3.98Å; R94-Y119 HydrophobicContact CG-CD2 4.19Å; R94-Y119 HydrophobicContact CG-CG 4.34Å; R94-G120 WeakPolarHBondContact CD-O 3.38Å; R94-G120 PolarHBondContact NE-O 2.98Å; R94-G120 PolarHBondContact NH1-O 2.78Å; R94-T141 HydrophobicContact CB-CG2 4.37Å; R94-T141 HydrophobicContact CG-CG2 3.92Å; R94-Q292 VanDerWaalsContact CD-CD 3.47Å |
| 95 | E | 85.2 | Confident | 94.4 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 8% | 0.079 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | -180 | -63.2 | 86.9 | 176.6 | 0 | 0 | 111.8 | T93 A97 V98 Q99 Q292 R295 L296 L299 L320 | T93-E95 VanDerWaalsContact C-N 3.3Å; E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.3Å; E95-V98 PolarHBondContact O-N 3.49Å; E95-Q99 WeakPolarHBondContact O-CB 3.43Å; E95-Q99 PolarHBondContact O-N 3.44Å; E95-Q292 PolarHBondContact OE1-NE2 3.33Å; E95-R295 IonicContact OE1-CZ 2.75Å; E95-R295 IonicContact OE1-NE 3.73Å; E95-R295 PolarHBondContact OE1-NE 2.98Å; E95-R295 IonicContact OE1-NH2 3.91Å; E95-R295 PolarHBondContact OE1-NH2 3.29Å; E95-L296 HydrophobicContact CG-CD2 4.27Å; E95-L299 HydrophobicContact CG-CD1 4.02Å; E95-L320 HydrophobicContact CB-CD2 3.03Å; E95-L320 HydrophobicContact CG-CD2 3.25Å |
| 96 | L | 88.5 | Confident | 94.3 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -63 | -41.4 | 172.4 | -172.8 | 60.5 | 0 | 0 | 0 | 110.7 | A91 P92 T93 V98 Q99 I100 E166 G319 | A91-L96 HydrophobicContact CB-CB 4.05Å; A91-L96 HydrophobicContact CB-CD2 4Å; A91-L96 HydrophobicContact CB-CG 4Å; P92-L96 HydrophobicContact CG-CD2 4.26Å; T93-L96 WeakPolarHBondContact OG1-CB 3.12Å; T93-L96 PolarHBondContact OG1-N 2.66Å; L96-V98 VanDerWaalsContact C-N 3.35Å; L96-V98 PolarHBondContact O-N 2.92Å; L96-Q99 PolarHBondContact O-N 3Å; L96-I100 HydrophobicContact CD1-CD1 4.36Å; L96-I100 HydrophobicContact CD1-CG1 4.35Å; L96-I100 HydrophobicContact CD2-CD1 4.48Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 HydrophobicContact CG-CG1 4.34Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.46Å; L96-E166 HydrophobicContact CD2-CB 4.38Å; L96-E166 HydrophobicContact CD2-CG 3.84Å; L96-G319 WeakPolarHBondContact CB-O 3.37Å |
| 97 | A | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.7 | A91 T93 R94 E95 Q99 H101 L117 I139 | A91-A97 HydrophobicContact CB-CB 4.19Å; T93-A97 PolarHBondContact O-N 2.82Å; T93-A97 VanDerWaalsContact O-N 3.13Å; R94-A97 WeakPolarHBondContact O-CB 3.45Å; R94-A97 PolarHBondContact O-N 3.48Å; E95-A97 VanDerWaalsContact C-N 3.31Å; E95-A97 PolarHBondContact O-N 3.3Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; A97-H101 WeakPolarHBondContact O-CB 3.32Å; A97-H101 PolarHBondContact O-N 3.44Å; A97-L117 HydrophobicContact CB-CD1 3.94Å; A97-I139 HydrophobicContact CB-CG2 4.2Å; A97-I139 WeakPolarHBondContact O-CG2 3.29Å |
| 98 | V | 92.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 23.1 Ų | 23.1 | 24% | 0.242 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.1 | -42.7 | 175.5 | 169.2 | 0 | 0 | 0 | 0 | 111 | R94 E95 L96 H101 A102 L117 Y119 L296 | R94-V98 VanDerWaalsContact O-CG2 3.29Å; R94-V98 WeakPolarHBondContact O-CG2 3.27Å; R94-V98 PolarHBondContact O-N 2.92Å; E95-V98 PolarHBondContact O-N 3.49Å; L96-V98 VanDerWaalsContact C-N 3.35Å; L96-V98 PolarHBondContact O-N 2.92Å; V98-H101 WeakPolarHBondContact O-CB 3.43Å; V98-H101 PolarHBondContact O-N 3.22Å; V98-A102 PolarHBondContact O-N 3.3Å; V98-L117 HydrophobicContact CG2-CD2 3.96Å; V98-Y119 HydrophobicContact CG2-CD1 4.1Å; V98-Y119 HydrophobicContact CG2-CE1 3.59Å; V98-L296 HydrophobicContact CG2-CD2 4.37Å |
| 99 | Q | 90.1 | Very high | 94.1 | Very high | 41 Ų | 41 | 29.7 Ų | 29.7 | 19% | 0.192 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -48.1 | 178.8 | -178 | -161.7 | -37.6 | 0 | 0 | 111.8 | E95 L96 A97 H101 A102 D103 H321 | E95-Q99 WeakPolarHBondContact O-CB 3.43Å; E95-Q99 PolarHBondContact O-N 3.44Å; L96-Q99 PolarHBondContact O-N 3Å; A97-Q99 VanDerWaalsContact C-N 3.34Å; Q99-H101 PolarHBondContact O-N 3.38Å; Q99-A102 WeakPolarHBondContact O-CB 3.37Å; Q99-A102 PolarHBondContact O-N 3.45Å; Q99-D103 PolarHBondContact O-N 3.27Å; Q99-H321 HydrophobicContact CG-CB 4.21Å |
| 100 | I | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.7 | -38.6 | 176.5 | -64.8 | 165.9 | 0 | 0 | 0 | 110.3 | T60 F63 L64 I89 A91 L96 D103 A104 I139 D165 | T60-I100 HydrophobicContact CG2-CG1 4.21Å; F63-I100 HydrophobicContact CE2-CG2 3.85Å; F63-I100 HydrophobicContact CZ-CD1 4.05Å; F63-I100 HydrophobicContact CZ-CG1 4.15Å; F63-I100 HydrophobicContact CZ-CG2 4.11Å; L64-I100 HydrophobicContact CD2-CG2 4.14Å; I89-I100 HydrophobicContact CD1-CG2 4.46Å; I89-I100 HydrophobicContact CG2-CD1 4.25Å; I89-I100 HydrophobicContact CG2-CG2 4.07Å; A91-I100 HydrophobicContact CB-CD1 4.09Å; L96-I100 HydrophobicContact CD1-CD1 4.36Å; L96-I100 HydrophobicContact CD1-CG1 4.35Å; L96-I100 HydrophobicContact CD2-CD1 4.48Å; L96-I100 HydrophobicContact CG-CD1 3.89Å; L96-I100 HydrophobicContact CG-CG1 4.34Å; L96-I100 VanDerWaalsContact O-CG1 3.28Å; L96-I100 WeakPolarHBondContact O-CG1 3.45Å; L96-I100 PolarHBondContact O-N 3.46Å; I100-D103 PolarHBondContact O-N 3.34Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.39Å; I100-A104 PolarHBondContact O-N 3.02Å; I100-I139 HydrophobicContact CB-CG2 4.04Å; I100-I139 HydrophobicContact CG2-CD1 4.08Å; I100-I139 HydrophobicContact CG2-CG1 4.41Å; I100-I139 HydrophobicContact CG2-CG2 3.98Å; I100-D165 HydrophobicContact CD1-CB 4.19Å; I100-D165 WeakPolarHBondContact CD1-OD2 3.39Å |
| 101 | H | 97.5 | Very high | 93.9 | Very high | 30 Ų | 30 | 31.7 Ų | 31.7 | 14% | 0.139 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.5 | -47.7 | 174.1 | -178.6 | -78.8 | 0 | 0 | 0 | 111.9 | A97 V98 Q99 D103 A104 E105 L117 I139 | A97-H101 WeakPolarHBondContact O-CB 3.32Å; A97-H101 PolarHBondContact O-N 3.44Å; V98-H101 WeakPolarHBondContact O-CB 3.43Å; V98-H101 PolarHBondContact O-N 3.22Å; Q99-H101 PolarHBondContact O-N 3.38Å; H101-D103 VanDerWaalsContact C-N 3.32Å; H101-D103 PolarHBondContact O-N 2.89Å; H101-A104 WeakPolarHBondContact O-CB 3.32Å; H101-A104 PolarHBondContact O-N 2.82Å; H101-A104 VanDerWaalsContact O-N 3.1Å; H101-E105 IonicContact CE1-OE1 2.75Å; H101-E105 PolarHBondContact CE1-OE1 3.03Å; H101-E105 IonicContact ND1-OE1 3.34Å; H101-E105 PolarHBondContact ND1-OE1 2.75Å; H101-E105 WeakPolarHBondContact O-CG 3.29Å; H101-E105 PolarHBondContact O-N 2.97Å; H101-L117 HydrophobicContact CB-CD1 4.16Å; H101-L117 HydrophobicContact CB-CD2 4.13Å; H101-I139 HydrophobicContact CB-CD1 4.01Å |
| 102 | A | 94.7 | Very high | 93.9 | Very high | 46 Ų | 46 | 34.5 Ų | 34.5 | 38% | 0.38 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -61.5 | -39 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | V98 Q99 A104 E105 P106 | V98-A102 PolarHBondContact O-N 3.3Å; Q99-A102 WeakPolarHBondContact O-CB 3.37Å; Q99-A102 PolarHBondContact O-N 3.45Å; A102-A104 VanDerWaalsContact C-N 3.27Å; A102-A104 PolarHBondContact O-N 2.75Å; A102-E105 PolarHBondContact O-N 3.29Å; A102-P106 WeakPolarHBondContact O-CD 3.28Å |
| 103 | D | 94.2 | Very high | 94.3 | Very high | 61 Ų | 61 | 35 Ų | 35 | 33% | 0.326 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -67.4 | -29 | 175.1 | -69.9 | -22.9 | 0 | 0 | 0 | 112 | T60 L64 Q99 I100 H101 P106 | T60-D103 HydrophobicContact CG2-CB 4.07Å; T60-D103 WeakPolarHBondContact CG2-OD2 3.44Å; L64-D103 HydrophobicContact CD1-CB 3.77Å; Q99-D103 PolarHBondContact O-N 3.27Å; I100-D103 PolarHBondContact O-N 3.34Å; H101-D103 VanDerWaalsContact C-N 3.32Å; H101-D103 PolarHBondContact O-N 2.89Å; D103-P106 WeakPolarHBondContact O-CD 3.48Å |
| 104 | A | 98.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -82.6 | -24.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L64 F68 I100 H101 A102 P106 L107 A108 L115 I139 | L64-A104 HydrophobicContact CD1-CB 4.09Å; L64-A104 HydrophobicContact CD2-CB 3.85Å; F68-A104 HydrophobicContact CE2-CB 4.11Å; F68-A104 HydrophobicContact CZ-CB 4.33Å; I100-A104 VanDerWaalsContact O-CB 3.29Å; I100-A104 WeakPolarHBondContact O-CB 3.39Å; I100-A104 PolarHBondContact O-N 3.02Å; H101-A104 WeakPolarHBondContact O-CB 3.32Å; H101-A104 PolarHBondContact O-N 2.82Å; H101-A104 VanDerWaalsContact O-N 3.1Å; A102-A104 VanDerWaalsContact C-N 3.27Å; A102-A104 PolarHBondContact O-N 2.75Å; A104-P106 VanDerWaalsContact C-CD 3.48Å; A104-L107 WeakPolarHBondContact O-CB 3.48Å; A104-L107 PolarHBondContact O-N 2.66Å; A104-L107 VanDerWaalsContact O-N 3.11Å; A104-A108 PolarHBondContact O-N 3.27Å; A104-L115 HydrophobicContact CB-CD1 3.8Å; A104-L115 HydrophobicContact CB-CD2 4.21Å; A104-I139 HydrophobicContact CB-CD1 4.1Å |
| 105 | E | 97.7 | Very high | 95.3 | Very high | 101 Ų | 101 | 37 Ų | 37 | 47% | 0.472 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -52.3 | -44.8 | -177 | -82.8 | 170.9 | -173.3 | 0 | 0 | 114.1 | H101 A102 L107 A108 E109 L115 | H101-E105 IonicContact CE1-OE1 2.75Å; H101-E105 PolarHBondContact CE1-OE1 3.03Å; H101-E105 IonicContact ND1-OE1 3.34Å; H101-E105 PolarHBondContact ND1-OE1 2.75Å; H101-E105 WeakPolarHBondContact O-CG 3.29Å; H101-E105 PolarHBondContact O-N 2.97Å; A102-E105 PolarHBondContact O-N 3.29Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.23Å; E105-A108 WeakPolarHBondContact O-CB 3.45Å; E105-A108 PolarHBondContact O-N 3.32Å; E105-E109 PolarHBondContact O-N 2.94Å; E105-L115 HydrophobicContact CG-CD1 4.1Å |
| 106 | P | 95.7 | Very high | 95.9 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 13% | 0.13 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -35.5 | 178.8 | -22.6 | 35.6 | 0 | 0 | 0 | 113.5 | K27 A102 D103 A104 A110 | K27-P106 HydrophobicContact CD-CB 4.17Å; K27-P106 HydrophobicContact CD-CG 3.93Å; K27-P106 VanDerWaalsContact CE-CB 3.48Å; K27-P106 HydrophobicContact CG-CB 3.93Å; K27-P106 HydrophobicContact CG-CG 4.19Å; K27-P106 VanDerWaalsContact NZ-CG 3.34Å; A102-P106 WeakPolarHBondContact O-CD 3.28Å; D103-P106 WeakPolarHBondContact O-CD 3.48Å; A104-P106 VanDerWaalsContact C-CD 3.48Å; P106-A110 PolarHBondContact O-N 2.92Å; P106-A110 VanDerWaalsContact O-N 3.13Å |
| 107 | L | 97.9 | Very high | 96.3 | Very high | 4 Ų | 4 | 37.3 Ų | 37.3 | 2% | 0.021 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 174.5 | -72.7 | 160 | 0 | 0 | 0 | 109.9 | V20 A23 M61 L64 F68 A104 E105 A110 T111 | V20-L107 HydrophobicContact CG1-CD2 4.02Å; A23-L107 HydrophobicContact CB-CD2 3.71Å; A23-L107 HydrophobicContact CB-CG 4.31Å; M61-L107 HydrophobicContact CE-CD1 4.13Å; L64-L107 HydrophobicContact CB-CD1 3.83Å; F68-L107 HydrophobicContact CD1-CB 3.79Å; F68-L107 HydrophobicContact CD2-CB 3.82Å; F68-L107 HydrophobicContact CD2-CD1 3.88Å; F68-L107 HydrophobicContact CD2-CG 4.36Å; F68-L107 HydrophobicContact CE1-CB 3.62Å; F68-L107 HydrophobicContact CE2-CB 3.62Å; F68-L107 HydrophobicContact CE2-CD1 4.01Å; F68-L107 HydrophobicContact CE2-CG 4.44Å; F68-L107 HydrophobicContact CG-CB 3.88Å; F68-L107 HydrophobicContact CG-CD1 4.45Å; F68-L107 HydrophobicContact CZ-CB 3.5Å; A104-L107 WeakPolarHBondContact O-CB 3.48Å; A104-L107 PolarHBondContact O-N 2.66Å; A104-L107 VanDerWaalsContact O-N 3.11Å; E105-L107 VanDerWaalsContact C-N 3.33Å; E105-L107 PolarHBondContact O-N 3.23Å; L107-A110 PolarHBondContact O-N 2.91Å; L107-T111 VanDerWaalsContact O-CB 3.27Å; L107-T111 WeakPolarHBondContact O-CB 3.34Å; L107-T111 WeakPolarHBondContact O-CG2 3.39Å; L107-T111 PolarHBondContact O-N 3.01Å; L107-T111 PolarHBondContact O-OG1 2.85Å |
| 108 | A | 98.2 | Very high | 96.5 | Very high | 14 Ų | 14 | 37.3 Ų | 37.3 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.5 | -45 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | F68 A104 E105 A110 T111 G112 L113 L115 | F68-A108 HydrophobicContact CE1-CB 4.23Å; F68-A108 HydrophobicContact CZ-CB 4.17Å; A104-A108 PolarHBondContact O-N 3.27Å; E105-A108 WeakPolarHBondContact O-CB 3.45Å; E105-A108 PolarHBondContact O-N 3.32Å; A108-A110 PolarHBondContact O-N 2.99Å; A108-T111 PolarHBondContact O-N 3.02Å; A108-G112 WeakPolarHBondContact O-CA 3.49Å; A108-G112 PolarHBondContact O-N 3.43Å; A108-L113 WeakPolarHBondContact CB-O 3.48Å; A108-L115 HydrophobicContact CB-CD1 3.67Å; A108-L115 HydrophobicContact CB-CD2 4.14Å; A108-L115 HydrophobicContact CB-CG 3.61Å |
| 109 | E | 97 | Very high | 96.7 | Very high | 140 Ų | 140 | 36.4 Ų | 36.4 | 65% | 0.654 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -58 | -47.4 | 176.6 | -171.6 | -167.9 | 148.5 | 0 | 0 | 111.6 | K26 E105 | K26-E109 IonicContact NZ-OE1 2.88Å; K26-E109 PolarHBondContact NZ-OE1 2.99Å; E105-E109 PolarHBondContact O-N 2.94Å |
| 110 | A | 96.1 | Very high | 96.6 | Very high | 31 Ų | 31 | 35.1 Ų | 35.1 | 26% | 0.256 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70.6 | -33 | -179 | 0 | 0 | 0 | 0 | 0 | 113.2 | A23 P106 L107 A108 | A23-A110 HydrophobicContact CB-CB 3.71Å; P106-A110 PolarHBondContact O-N 2.92Å; P106-A110 VanDerWaalsContact O-N 3.13Å; L107-A110 PolarHBondContact O-N 2.91Å; A108-A110 PolarHBondContact O-N 2.99Å |
| 111 | T | 96.7 | Very high | 96.2 | Very high | 10 Ų | 10 | 37.8 Ų | 37.8 | 6% | 0.061 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -95.1 | -25.7 | -171.8 | 62.4 | 0 | 0 | 0 | 0 | 113.5 | K19 V20 F68 L72 L107 A108 L113 | K19-T111 HydrophobicContact CB-CG2 4.03Å; V20-T111 HydrophobicContact CG2-CG2 4.34Å; F68-T111 HydrophobicContact CD1-CG2 3.97Å; F68-T111 WeakPolarHBondContact CD1-OG1 3.5Å; F68-T111 WeakPolarHBondContact CE1-OG1 3.13Å; L72-T111 HydrophobicContact CD1-CG2 3.6Å; L107-T111 VanDerWaalsContact O-CB 3.27Å; L107-T111 WeakPolarHBondContact O-CB 3.34Å; L107-T111 WeakPolarHBondContact O-CG2 3.39Å; L107-T111 PolarHBondContact O-N 3.01Å; L107-T111 PolarHBondContact O-OG1 2.85Å; A108-T111 PolarHBondContact O-N 3.02Å; T111-L113 VanDerWaalsContact C-N 3.31Å; T111-L113 PolarHBondContact OG1-N 3.29Å |
| 112 | G | 96.4 | Very high | 95.5 | Very high | 59 Ų | 59 | 39.1 Ų | 39.1 | 61% | 0.608 | 24% | 0.238 | S | C | * | . | trans | 82 | 3.7 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A108 | A108-G112 WeakPolarHBondContact O-CA 3.49Å; A108-G112 PolarHBondContact O-N 3.43Å | ||
| 113 | L | 98.3 | Very high | 95 | Very high | 18 Ų | 18 | 38.1 Ų | 38.1 | 9% | 0.094 | 23% | 0.233 | C | C | . | . | P | Polyproline II helix | trans | -71.6 | 137.5 | 175 | -66.7 | 178.7 | 0 | 0 | 0 | 110.5 | F68 L71 A108 T111 D136 I137 | F68-L113 HydrophobicContact CD1-CD1 3.71Å; F68-L113 HydrophobicContact CE1-CB 4.11Å; F68-L113 HydrophobicContact CE1-CD1 4.05Å; L71-L113 HydrophobicContact CB-CD1 3.94Å; L71-L113 HydrophobicContact CD1-CD1 4.11Å; A108-L113 WeakPolarHBondContact CB-O 3.48Å; T111-L113 VanDerWaalsContact C-N 3.31Å; T111-L113 PolarHBondContact OG1-N 3.29Å; L113-D136 HydrophobicContact CB-CB 4.27Å; L113-D136 HydrophobicContact CD2-CB 3.99Å; L113-I137 HydrophobicContact CD1-CD1 4.24Å |
| 114 | K | 98.5 | Very high | 94.9 | Very high | 118 Ų | 118 | 37.9 Ų | 37.9 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -88.7 | 131 | -176.7 | -63.5 | 178.6 | -177.7 | 179.1 | 0 | 111.6 | G134 D136 I137 | K114-G134 WeakPolarHBondContact CD-O 3.3Å; K114-D136 PolarHBondContact N-OD2 3.04Å; K114-D136 PolarHBondContact O-N 2.88Å; K114-I137 PolarHBondContact O-N 3.11Å |
| 115 | L | 98.7 | Very high | 94.5 | Very high | 22 Ų | 22 | 43.2 Ų | 43.2 | 12% | 0.115 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 144.8 | 175.9 | -59.2 | -178.5 | 0 | 0 | 0 | 111.9 | F68 A104 E105 A108 I137 | F68-L115 HydrophobicContact CZ-CD2 4.1Å; A104-L115 HydrophobicContact CB-CD1 3.8Å; A104-L115 HydrophobicContact CB-CD2 4.21Å; E105-L115 HydrophobicContact CG-CD1 4.1Å; A108-L115 HydrophobicContact CB-CD1 3.67Å; A108-L115 HydrophobicContact CB-CD2 4.14Å; A108-L115 HydrophobicContact CB-CG 3.61Å; L115-I137 CarbonylContact C-O 3.59Å; L115-I137 WeakPolarHBondContact CA-O 3.35Å; L115-I137 HydrophobicContact CD2-CB 3.79Å; L115-I137 HydrophobicContact CD2-CD1 4.05Å; L115-I137 HydrophobicContact CD2-CG1 4.37Å; L115-I137 HydrophobicContact CD2-CG2 4.24Å |
| 116 | G | 98.3 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | I137 I139 | G116-I137 PolarHBondContact N-O 3.42Å; G116-I139 PolarHBondContact O-N 3.13Å |
| 117 | L | 98 | Very high | 94.3 | Very high | 29 Ų | 29 | 46.2 Ų | 46.2 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 124.8 | 177.9 | -178.3 | 55.3 | 0 | 0 | 0 | 110.2 | A97 V98 H101 Y119 Q127 I139 | A97-L117 HydrophobicContact CB-CD1 3.94Å; V98-L117 HydrophobicContact CG2-CD2 3.96Å; H101-L117 HydrophobicContact CB-CD1 4.16Å; H101-L117 HydrophobicContact CB-CD2 4.13Å; L117-Y119 HydrophobicContact CD1-CD1 3.89Å; L117-Y119 HydrophobicContact CD1-CE1 4.3Å; L117-Y119 HydrophobicContact CD2-CD1 4.1Å; L117-Y119 HydrophobicContact CD2-CE1 3.64Å; L117-Y119 HydrophobicContact CG-CD1 3.69Å; L117-Y119 HydrophobicContact CG-CE1 3.69Å; L117-Q127 VanDerWaalsContact O-CG 3.3Å; L117-Q127 WeakPolarHBondContact O-CG 3.37Å; L117-I139 CarbonylContact C-O 3.58Å; L117-I139 WeakPolarHBondContact CA-O 3.47Å; L117-I139 HydrophobicContact CD1-CB 4.49Å; L117-I139 HydrophobicContact CD1-CG2 4.45Å |
| 118 | A | 97.8 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 107.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L138 I139 G140 T141 R144 L145 Y148 | A118-L138 HydrophobicContact CB-CD1 3.94Å; A118-I139 PolarHBondContact N-O 2.91Å; A118-G140 CarbonylContact O-C 3.57Å; A118-G140 WeakPolarHBondContact O-CA 3.36Å; A118-T141 PolarHBondContact O-N 3.19Å; A118-R144 HydrophobicContact CB-CG 3.98Å; A118-L145 HydrophobicContact CB-CD2 3.76Å; A118-Y148 HydrophobicContact CB-CD2 3.91Å; A118-Y148 HydrophobicContact CB-CE2 3.72Å |
| 119 | Y | 95.8 | Very high | 94 | Very high | 21 Ų | 21 | 52.7 Ų | 52.7 | 8% | 0.082 | 29% | 0.292 | C | S | . | . | trans | -149.2 | 154.3 | 176.1 | 64.6 | -100.6 | 0 | 0 | 0 | 113.2 | R94 V98 L117 D122 Q127 R144 Q292 | R94-Y119 HydrophobicContact CB-CD2 3.93Å; R94-Y119 HydrophobicContact CB-CG 3.98Å; R94-Y119 HydrophobicContact CG-CD2 4.19Å; R94-Y119 HydrophobicContact CG-CG 4.34Å; V98-Y119 HydrophobicContact CG2-CD1 4.1Å; V98-Y119 HydrophobicContact CG2-CE1 3.59Å; L117-Y119 HydrophobicContact CD1-CD1 3.89Å; L117-Y119 HydrophobicContact CD1-CE1 4.3Å; L117-Y119 HydrophobicContact CD2-CD1 4.1Å; L117-Y119 HydrophobicContact CD2-CE1 3.64Å; L117-Y119 HydrophobicContact CG-CD1 3.69Å; L117-Y119 HydrophobicContact CG-CE1 3.69Å; Y119-D122 HydrophobicContact CE2-CB 3.95Å; Y119-Q127 PolarHBondContact O-NE2 3.25Å; Y119-Q127 PolarHBondContact O-OE1 3.17Å; Y119-R144 PolarHBondContact O-NH1 3.21Å; Y119-R144 PolarHBondContact O-NH2 3.15Å; Y119-Q292 HydrophobicContact CD2-CG 4.36Å; Y119-Q292 HydrophobicContact CE2-CG 3.91Å | ||
| 120 | G | 88.8 | Confident | 94 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 14% | 0.144 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | 164.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | R94 D122 | R94-G120 WeakPolarHBondContact CD-O 3.38Å; R94-G120 PolarHBondContact NE-O 2.98Å; R94-G120 PolarHBondContact NH1-O 2.78Å; G120-D122 VanDerWaalsContact C-N 3.26Å; G120-D122 PolarHBondContact O-N 2.98Å; G120-D122 VanDerWaalsContact O-N 3.17Å |
| 121 | G | 85 | Confident | 94 | Very high | 56 Ų | 56 | 47.9 Ų | 47.9 | 58% | 0.577 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | -1.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 122 | D | 83.5 | Confident | 93.9 | Very high | 57 Ų | 57 | 53 Ų | 53 | 31% | 0.305 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -152 | 153.1 | 168.6 | -164.9 | 16.5 | 0 | 0 | 0 | 111 | Y119 G120 Y124 Q127 Q292 | Y119-D122 HydrophobicContact CE2-CB 3.95Å; G120-D122 VanDerWaalsContact C-N 3.26Å; G120-D122 PolarHBondContact O-N 2.98Å; G120-D122 VanDerWaalsContact O-N 3.17Å; D122-Y124 PolarHBondContact O-N 2.76Å; D122-Y124 VanDerWaalsContact O-N 3.11Å; D122-Q127 PolarHBondContact O-NE2 3.42Å; D122-Q292 HydrophobicContact CB-CB 4.18Å; D122-Q292 HydrophobicContact CB-CG 4.29Å |
| 123 | G | 84.9 | Confident | 93.8 | Very high | 26 Ų | 26 | 54.1 Ų | 54.1 | 27% | 0.268 | 29% | 0.291 | S | S | . | . | trans | 53.2 | 36.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | D125 K126 Q127 | G123-D125 PolarHBondContact O-N 2.87Å; G123-K126 PolarHBondContact O-N 2.88Å; G123-Q127 WeakPolarHBondContact O-CB 3.27Å; G123-Q127 WeakPolarHBondContact O-CG 3.23Å; G123-Q127 PolarHBondContact O-N 3.27Å | ||
| 124 | Y | 91.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 53.8 Ų | 53.8 | 22% | 0.22 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -50.8 | -55.7 | -178 | -176.7 | -86.8 | 0 | 0 | 0 | 112.6 | D122 K126 Q127 L128 D147 Y148 Q151 | D122-Y124 PolarHBondContact O-N 2.76Å; D122-Y124 VanDerWaalsContact O-N 3.11Å; Y124-K126 VanDerWaalsContact C-N 3.32Å; Y124-K126 PolarHBondContact O-N 2.82Å; Y124-Q127 PolarHBondContact O-N 2.91Å; Y124-L128 HydrophobicContact CE1-CD2 4.03Å; Y124-L128 WeakPolarHBondContact O-CB 3.41Å; Y124-L128 PolarHBondContact O-N 2.85Å; Y124-D147 WeakPolarHBondContact CE2-OD2 3.41Å; Y124-Y148 HydrophobicContact CD2-CE1 4.05Å; Y124-Y148 HydrophobicContact CE1-CE1 4.28Å; Y124-Y148 HydrophobicContact CE2-CD1 4.11Å; Y124-Y148 AromaticContact CE2-CE1 3.45Å; Y124-Y148 HydrophobicContact CE2-CE1 3.45Å; Y124-Y148 VanDerWaalsContact CE2-CE1 3.45Å; Y124-Y148 AromaticContact CZ-CE1 3.58Å; Y124-Y148 PolarHBondContact O-OH 3.47Å; Y124-Y148 VanDerWaalsContact O-OH 3.1Å; Y124-Q151 PolarHBondContact OH-NE2 3.44Å; Y124-Q151 PolarHBondContact OH-OE1 2.88Å |
| 125 | D | 90.3 | Very high | 93.7 | Very high | 111 Ų | 111 | 48.4 Ų | 48.4 | 59% | 0.594 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -68.6 | -32.6 | -177.6 | -55.7 | -48.9 | 0 | 0 | 0 | 112.2 | G123 L128 K129 | G123-D125 PolarHBondContact O-N 2.87Å; D125-L128 PolarHBondContact O-N 2.96Å; D125-K129 VanDerWaalsContact O-CG 3.29Å; D125-K129 WeakPolarHBondContact O-CG 3.41Å; D125-K129 PolarHBondContact O-N 3.44Å |
| 126 | K | 93.1 | Very high | 93.7 | Very high | 168 Ų | 168 | 48.2 Ų | 48.2 | 73% | 0.73 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -67.8 | -46.2 | 177.6 | -173.9 | -176.8 | 177.1 | -172.8 | 0 | 110.7 | G123 Y124 L128 V130 | G123-K126 PolarHBondContact O-N 2.88Å; Y124-K126 VanDerWaalsContact C-N 3.32Å; Y124-K126 PolarHBondContact O-N 2.82Å; K126-L128 VanDerWaalsContact C-N 3.34Å; K126-V130 PolarHBondContact O-N 3.03Å |
| 127 | Q | 95.3 | Very high | 93.7 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63 | -43.8 | 175.5 | -70.8 | 175.6 | 17.7 | 0 | 0 | 110.1 | L117 Y119 D122 G123 Y124 K129 V130 L131 Y148 | L117-Q127 VanDerWaalsContact O-CG 3.3Å; L117-Q127 WeakPolarHBondContact O-CG 3.37Å; Y119-Q127 PolarHBondContact O-NE2 3.25Å; Y119-Q127 PolarHBondContact O-OE1 3.17Å; D122-Q127 PolarHBondContact O-NE2 3.42Å; G123-Q127 WeakPolarHBondContact O-CB 3.27Å; G123-Q127 WeakPolarHBondContact O-CG 3.23Å; G123-Q127 PolarHBondContact O-N 3.27Å; Y124-Q127 PolarHBondContact O-N 2.91Å; Q127-K129 PolarHBondContact O-N 3.04Å; Q127-V130 WeakPolarHBondContact O-CB 3.29Å; Q127-V130 PolarHBondContact O-N 2.96Å; Q127-L131 WeakPolarHBondContact O-CG 3.18Å; Q127-L131 PolarHBondContact O-N 3.27Å; Q127-Y148 VanDerWaalsContact CB-OH 3.25Å; Q127-Y148 WeakPolarHBondContact CB-OH 3.26Å |
| 128 | L | 94.4 | Very high | 93.8 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -45.5 | 178.5 | -179.4 | 57 | 0 | 0 | 0 | 112.5 | Y124 D125 K126 V130 L131 E132 Y148 H153 | Y124-L128 HydrophobicContact CE1-CD2 4.03Å; Y124-L128 WeakPolarHBondContact O-CB 3.41Å; Y124-L128 PolarHBondContact O-N 2.85Å; D125-L128 PolarHBondContact O-N 2.96Å; K126-L128 VanDerWaalsContact C-N 3.34Å; L128-V130 PolarHBondContact O-N 3.39Å; L128-L131 CarbonylContact O-C 3.58Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 WeakPolarHBondContact O-CB 3.44Å; L128-L131 PolarHBondContact O-N 3.34Å; L128-E132 HydrophobicContact CD1-CG 4.24Å; L128-E132 HydrophobicContact CG-CG 4.28Å; L128-E132 WeakPolarHBondContact O-CG 3.23Å; L128-E132 PolarHBondContact O-N 3.39Å; L128-Y148 HydrophobicContact CB-CE1 4.34Å; L128-Y148 HydrophobicContact CD1-CE1 4.37Å; L128-H153 HydrophobicContact CD1-CB 3.66Å |
| 129 | K | 96 | Very high | 93.8 | Very high | 138 Ų | 138 | 46.8 Ų | 46.8 | 60% | 0.6 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -57 | -35.1 | 176.6 | -77.3 | 176.1 | -178.4 | -174.8 | 0 | 113.7 | D125 Q127 S133 | D125-K129 VanDerWaalsContact O-CG 3.29Å; D125-K129 WeakPolarHBondContact O-CG 3.41Å; D125-K129 PolarHBondContact O-N 3.44Å; Q127-K129 PolarHBondContact O-N 3.04Å; K129-S133 PolarHBondContact O-N 2.68Å; K129-S133 PolarHBondContact O-OG 2.82Å |
| 130 | V | 96.1 | Very high | 93.9 | Very high | 66 Ų | 66 | 45.8 Ų | 45.8 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 174.2 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | K126 Q127 L128 S133 V135 | K126-V130 PolarHBondContact O-N 3.03Å; Q127-V130 WeakPolarHBondContact O-CB 3.29Å; Q127-V130 PolarHBondContact O-N 2.96Å; L128-V130 PolarHBondContact O-N 3.39Å; V130-S133 WeakPolarHBondContact O-CB 3.19Å; V130-S133 PolarHBondContact O-N 3.22Å; V130-V135 HydrophobicContact CG1-CG1 4.07Å |
| 131 | L | 96.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.021 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 177.5 | -58.2 | 179.6 | 0 | 0 | 0 | 112.7 | Q127 L128 S133 G134 V135 L138 Y148 I154 | Q127-L131 WeakPolarHBondContact O-CG 3.18Å; Q127-L131 PolarHBondContact O-N 3.27Å; L128-L131 CarbonylContact O-C 3.58Å; L128-L131 WeakPolarHBondContact O-CA 3.49Å; L128-L131 WeakPolarHBondContact O-CB 3.44Å; L128-L131 PolarHBondContact O-N 3.34Å; L131-S133 PolarHBondContact O-N 3.24Å; L131-G134 WeakPolarHBondContact O-CA 3.46Å; L131-G134 PolarHBondContact O-N 3.36Å; L131-V135 HydrophobicContact CD2-CG1 4.16Å; L131-V135 HydrophobicContact CD2-CG2 3.82Å; L131-L138 HydrophobicContact CD2-CD1 3.61Å; L131-L138 HydrophobicContact CD2-CD2 4.45Å; L131-Y148 HydrophobicContact CD1-CD2 3.41Å; L131-Y148 VanDerWaalsContact CD1-CD2 3.41Å; L131-Y148 HydrophobicContact CD1-CE2 3.49Å; L131-Y148 VanDerWaalsContact CD1-CE2 3.49Å; L131-Y148 HydrophobicContact CD1-CG 4Å; L131-I154 HydrophobicContact CD1-CG2 3.97Å |
| 132 | E | 95.1 | Very high | 94.7 | Very high | 117 Ų | 117 | 43.2 Ų | 43.2 | 55% | 0.547 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61.5 | -28 | 175.9 | -72 | 173.6 | 160.4 | 0 | 0 | 112.5 | L128 G134 | L128-E132 HydrophobicContact CD1-CG 4.24Å; L128-E132 HydrophobicContact CG-CG 4.28Å; L128-E132 WeakPolarHBondContact O-CG 3.23Å; L128-E132 PolarHBondContact O-N 3.39Å; E132-G134 PolarHBondContact O-N 3.33Å |
| 133 | S | 94.4 | Very high | 95.2 | Very high | 83 Ų | 83 | 42.4 Ų | 42.4 | 58% | 0.58 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -4.4 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 113.5 | K129 V130 L131 | K129-S133 PolarHBondContact O-N 2.68Å; K129-S133 PolarHBondContact O-OG 2.82Å; V130-S133 WeakPolarHBondContact O-CB 3.19Å; V130-S133 PolarHBondContact O-N 3.22Å; L131-S133 PolarHBondContact O-N 3.24Å |
| 134 | G | 96.1 | Very high | 95.7 | Very high | 10 Ų | 10 | 42.3 Ų | 42.3 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | trans | 79.4 | 130.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | V82 K114 L131 E132 | V82-G134 WeakPolarHBondContact O-CA 3.43Å; K114-G134 WeakPolarHBondContact CD-O 3.3Å; L131-G134 WeakPolarHBondContact O-CA 3.46Å; L131-G134 PolarHBondContact O-N 3.36Å; E132-G134 PolarHBondContact O-N 3.33Å | ||
| 135 | V | 98.5 | Very high | 96.1 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.03 | 21% | 0.213 | C | C | . | . | trans | -126.2 | 146.9 | 178.5 | -59.4 | 0 | 0 | 0 | 0 | 110.3 | P85 V130 L131 L138 | P85-V135 HydrophobicContact CB-CG2 4.34Å; V130-V135 HydrophobicContact CG1-CG1 4.07Å; L131-V135 HydrophobicContact CD2-CG1 4.16Å; L131-V135 HydrophobicContact CD2-CG2 3.82Å; V135-L138 HydrophobicContact CG2-CB 4.36Å | ||
| 136 | D | 98.8 | Very high | 96.4 | Very high | 18 Ų | 18 | 35 Ų | 35 | 10% | 0.096 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -89.9 | -38.8 | 174.7 | -62 | -67.6 | 0 | 0 | 0 | 110.9 | R80 R86 A87 L113 K114 | R80-D136 IonicContact CZ-OD1 3.88Å; R80-D136 IonicContact NH1-OD1 3.41Å; R80-D136 PolarHBondContact NH1-OD1 2.66Å; R80-D136 IonicContact NH2-OD1 2.98Å; R80-D136 PolarHBondContact NH2-OD1 3.26Å; R86-D136 CarbonylContact C-O 3.56Å; R86-D136 WeakPolarHBondContact CA-O 3.43Å; R86-D136 WeakPolarHBondContact CB-O 3.33Å; R86-D136 HydrophobicContact CG-CB 4.45Å; R86-D136 PolarHBondContact N-O 3.4Å; A87-D136 PolarHBondContact N-O 2.8Å; L113-D136 HydrophobicContact CB-CB 4.27Å; L113-D136 HydrophobicContact CD2-CB 3.99Å; K114-D136 PolarHBondContact N-OD2 3.04Å; K114-D136 PolarHBondContact O-N 2.88Å |
| 137 | I | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121 | -178.8 | -51.9 | 174.8 | 0 | 0 | 0 | 108.6 | T67 F68 L71 A87 I89 L113 K114 L115 G116 I139 | T67-I137 HydrophobicContact CG2-CD1 4.25Å; F68-I137 HydrophobicContact CD1-CD1 4.21Å; F68-I137 HydrophobicContact CD2-CD1 3.98Å; F68-I137 HydrophobicContact CE1-CD1 3.78Å; F68-I137 HydrophobicContact CE2-CD1 3.56Å; F68-I137 HydrophobicContact CG-CD1 4.31Å; F68-I137 HydrophobicContact CZ-CD1 3.46Å; F68-I137 VanDerWaalsContact CZ-CD1 3.46Å; L71-I137 HydrophobicContact CD1-CD1 4.05Å; L71-I137 HydrophobicContact CD1-CG1 3.63Å; A87-I137 HydrophobicContact CB-CB 4.42Å; A87-I137 HydrophobicContact CB-CG1 4.19Å; A87-I137 HydrophobicContact CB-CG2 4.14Å; I89-I137 HydrophobicContact CD1-CG2 4.11Å; I89-I137 HydrophobicContact CG1-CG2 4.42Å; L113-I137 HydrophobicContact CD1-CD1 4.24Å; K114-I137 PolarHBondContact O-N 3.11Å; L115-I137 CarbonylContact C-O 3.59Å; L115-I137 WeakPolarHBondContact CA-O 3.35Å; L115-I137 HydrophobicContact CD2-CB 3.79Å; L115-I137 HydrophobicContact CD2-CD1 4.05Å; L115-I137 HydrophobicContact CD2-CG1 4.37Å; L115-I137 HydrophobicContact CD2-CG2 4.24Å; G116-I137 PolarHBondContact N-O 3.42Å; I137-I139 HydrophobicContact CG2-CG1 4.23Å |
| 138 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.7 | 176.7 | -179.6 | 55.3 | 0 | 0 | 0 | 110.2 | P85 A87 L88 I89 A118 L131 V135 L145 I154 | P85-L138 HydrophobicContact CB-CB 4.03Å; P85-L138 HydrophobicContact CG-CB 4.36Å; P85-L138 HydrophobicContact CG-CD2 4.35Å; A87-L138 PolarHBondContact O-N 3.06Å; L88-L138 CarbonylContact C-O 3.48Å; L88-L138 WeakPolarHBondContact CA-O 3.15Å; L88-L138 HydrophobicContact CD1-CB 3.97Å; L88-L138 HydrophobicContact CD1-CD2 3.99Å; L88-L138 HydrophobicContact CD1-CG 3.91Å; I89-L138 PolarHBondContact N-O 3.47Å; A118-L138 HydrophobicContact CB-CD1 3.94Å; L131-L138 HydrophobicContact CD2-CD1 3.61Å; L131-L138 HydrophobicContact CD2-CD2 4.45Å; V135-L138 HydrophobicContact CG2-CB 4.36Å; L138-L145 HydrophobicContact CD1-CD2 4.34Å; L138-L145 HydrophobicContact CD2-CD2 3.55Å; L138-L145 HydrophobicContact CG-CD2 3.7Å; L138-I154 HydrophobicContact CD2-CD1 3.66Å; L138-I154 HydrophobicContact CD2-CG2 4.07Å |
| 139 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133 | 178.6 | -57.3 | 161.2 | 0 | 0 | 0 | 108 | I89 A97 I100 H101 A104 G116 L117 A118 I137 | I89-I139 HydrophobicContact CB-CG1 4.05Å; I89-I139 HydrophobicContact CB-CG2 4.42Å; I89-I139 HydrophobicContact CD1-CG1 4.16Å; I89-I139 HydrophobicContact CG1-CG1 4.39Å; I89-I139 CarbonylContact O-C 3.56Å; I89-I139 WeakPolarHBondContact O-CA 3.42Å; A97-I139 HydrophobicContact CB-CG2 4.2Å; A97-I139 WeakPolarHBondContact O-CG2 3.29Å; I100-I139 HydrophobicContact CB-CG2 4.04Å; I100-I139 HydrophobicContact CG2-CD1 4.08Å; I100-I139 HydrophobicContact CG2-CG1 4.41Å; I100-I139 HydrophobicContact CG2-CG2 3.98Å; H101-I139 HydrophobicContact CB-CD1 4.01Å; A104-I139 HydrophobicContact CB-CD1 4.1Å; G116-I139 PolarHBondContact O-N 3.13Å; L117-I139 CarbonylContact C-O 3.58Å; L117-I139 WeakPolarHBondContact CA-O 3.47Å; L117-I139 HydrophobicContact CD1-CB 4.49Å; L117-I139 HydrophobicContact CD1-CG2 4.45Å; A118-I139 PolarHBondContact N-O 2.91Å; I137-I139 HydrophobicContact CG2-CG1 4.23Å |
| 140 | G | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179 | 175.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | I89 M90 A91 A118 | I89-G140 PolarHBondContact O-N 3.28Å; M90-G140 WeakPolarHBondContact CA-O 3.5Å; A91-G140 PolarHBondContact N-O 2.86Å; A118-G140 CarbonylContact O-C 3.57Å; A118-G140 WeakPolarHBondContact O-CA 3.36Å |
| 141 | T | 95.7 | Very high | 97 | Very high | 14 Ų | 14 | 29.4 Ų | 29.4 | 9% | 0.086 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 139.9 | 172.7 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | A91 T93 R94 A118 G143 R144 L145 | A91-T141 WeakPolarHBondContact O-CA 3.3Å; T93-T141 VanDerWaalsContact C-CG2 3.41Å; T93-T141 WeakPolarHBondContact O-CG2 3.29Å; R94-T141 HydrophobicContact CB-CG2 4.37Å; R94-T141 HydrophobicContact CG-CG2 3.92Å; A118-T141 PolarHBondContact O-N 3.19Å; T141-G143 VanDerWaalsContact C-N 3.31Å; T141-G143 PolarHBondContact O-N 2.94Å; T141-R144 PolarHBondContact O-N 3.11Å; T141-R144 VanDerWaalsContact O-N 3.13Å; T141-L145 WeakPolarHBondContact O-CG 3.33Å; T141-L145 PolarHBondContact O-N 2.9Å; T141-L145 VanDerWaalsContact O-N 3.12Å |
| 142 | T | 94.5 | Very high | 97 | Very high | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -45.3 | -50.2 | -177.8 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | M90 R144 L145 I146 M170 F175 I179 L182 | M90-T142 HydrophobicContact SD-CG2 4.39Å; T142-R144 PolarHBondContact O-N 3.12Å; T142-L145 PolarHBondContact O-N 3.49Å; T142-I146 WeakPolarHBondContact O-CG1 3.49Å; T142-I146 PolarHBondContact O-N 3.27Å; T142-M170 HydrophobicContact CG2-SD 4.39Å; T142-F175 HydrophobicContact CG2-CB 4.3Å; T142-I179 HydrophobicContact CG2-CG1 3.95Å; T142-L182 HydrophobicContact CG2-CD1 4.41Å |
| 143 | G | 94 | Very high | 97.1 | Very high | 41 Ų | 41 | 31.9 Ų | 31.9 | 42% | 0.423 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.6 | -44.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | T141 D147 | T141-G143 VanDerWaalsContact C-N 3.31Å; T141-G143 PolarHBondContact O-N 2.94Å; G143-D147 PolarHBondContact O-N 2.96Å; G143-D147 VanDerWaalsContact O-N 3.1Å |
| 144 | R | 96.1 | Very high | 97.3 | Very high | 24 Ų | 24 | 28.1 Ų | 28.1 | 9% | 0.091 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.7 | -35.8 | 178.4 | -179.6 | 58.6 | 71.7 | 77.8 | 1.8 | 112 | A118 Y119 T141 T142 I146 D147 Y148 | A118-R144 HydrophobicContact CB-CG 3.98Å; Y119-R144 PolarHBondContact O-NH1 3.21Å; Y119-R144 PolarHBondContact O-NH2 3.15Å; T141-R144 PolarHBondContact O-N 3.11Å; T141-R144 VanDerWaalsContact O-N 3.13Å; T142-R144 PolarHBondContact O-N 3.12Å; R144-I146 VanDerWaalsContact C-N 3.32Å; R144-I146 PolarHBondContact O-N 3.05Å; R144-D147 WeakPolarHBondContact O-CB 3.43Å; R144-D147 PolarHBondContact O-N 3.47Å; R144-Y148 HydrophobicContact CG-CD2 3.9Å; R144-Y148 HydrophobicContact CG-CE2 3.56Å; R144-Y148 PolarHBondContact NH1-OH 3.21Å; R144-Y148 VanDerWaalsContact NH1-OH 3.08Å; R144-Y148 PolarHBondContact O-N 2.96Å |
| 145 | L | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -42.3 | 175.3 | -65.8 | 170.6 | 0 | 0 | 0 | 111.3 | L88 M90 A118 L138 T141 T142 A149 I154 L182 | L88-L145 HydrophobicContact CD1-CD1 3.89Å; L88-L145 HydrophobicContact CD1-CD2 3.77Å; L88-L145 HydrophobicContact CD1-CG 4.4Å; L88-L145 HydrophobicContact CD2-CD1 4.35Å; L88-L145 HydrophobicContact CG-CD1 4.35Å; M90-L145 HydrophobicContact CG-CD1 3.7Å; A118-L145 HydrophobicContact CB-CD2 3.76Å; L138-L145 HydrophobicContact CD1-CD2 4.34Å; L138-L145 HydrophobicContact CD2-CD2 3.55Å; L138-L145 HydrophobicContact CG-CD2 3.7Å; T141-L145 WeakPolarHBondContact O-CG 3.33Å; T141-L145 PolarHBondContact O-N 2.9Å; T141-L145 VanDerWaalsContact O-N 3.12Å; T142-L145 PolarHBondContact O-N 3.49Å; L145-A149 VanDerWaalsContact O-CB 3.32Å; L145-A149 WeakPolarHBondContact O-CB 3.45Å; L145-A149 PolarHBondContact O-N 3.14Å; L145-I154 HydrophobicContact CD2-CD1 4.43Å; L145-L182 HydrophobicContact CB-CD1 4.33Å; L145-L182 HydrophobicContact CB-CD2 4.3Å |
| 146 | I | 97.9 | Very high | 97.4 | Very high | 12 Ų | 12 | 31 Ų | 31 | 6% | 0.062 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.5 | -43.1 | 174.7 | -70.5 | 178.2 | 0 | 0 | 0 | 111.2 | T142 R144 A149 K150 D178 W181 L182 | T142-I146 WeakPolarHBondContact O-CG1 3.49Å; T142-I146 PolarHBondContact O-N 3.27Å; R144-I146 VanDerWaalsContact C-N 3.32Å; R144-I146 PolarHBondContact O-N 3.05Å; I146-A149 PolarHBondContact O-N 3.42Å; I146-K150 HydrophobicContact CG2-CD 3.88Å; I146-K150 HydrophobicContact CG2-CG 4.16Å; I146-K150 WeakPolarHBondContact O-CB 3.43Å; I146-K150 WeakPolarHBondContact O-CG 3.25Å; I146-K150 PolarHBondContact O-N 2.96Å; I146-D178 HydrophobicContact CD1-CB 3.36Å; I146-D178 VanDerWaalsContact CD1-CG 3.49Å; I146-W181 HydrophobicContact CB-CE3 4.37Å; I146-W181 HydrophobicContact CB-CZ3 4.15Å; I146-W181 HydrophobicContact CD1-CE3 4.1Å; I146-W181 HydrophobicContact CG1-CD2 4.48Å; I146-W181 HydrophobicContact CG1-CE3 3.67Å; I146-W181 HydrophobicContact CG1-CZ3 3.85Å; I146-W181 HydrophobicContact CG2-CE3 4.15Å; I146-W181 HydrophobicContact CG2-CH2 4.07Å; I146-W181 HydrophobicContact CG2-CZ2 4.4Å; I146-W181 HydrophobicContact CG2-CZ3 3.93Å; I146-L182 HydrophobicContact CD1-CG 4.33Å; I146-L182 HydrophobicContact CG1-CD1 4.05Å; I146-L182 HydrophobicContact CG1-CD2 3.75Å; I146-L182 HydrophobicContact CG1-CG 3.75Å |
| 147 | D | 97 | Very high | 97.3 | Very high | 56 Ų | 56 | 31.8 Ų | 31.8 | 30% | 0.299 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -58.4 | -52.3 | 178 | -172.3 | 23.7 | 0 | 0 | 0 | 111.1 | Y124 G143 R144 A149 K150 Q151 | Y124-D147 WeakPolarHBondContact CE2-OD2 3.41Å; G143-D147 PolarHBondContact O-N 2.96Å; G143-D147 VanDerWaalsContact O-N 3.1Å; R144-D147 WeakPolarHBondContact O-CB 3.43Å; R144-D147 PolarHBondContact O-N 3.47Å; D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.96Å; D147-K150 PolarHBondContact O-N 2.82Å; D147-Q151 WeakPolarHBondContact O-CB 3.39Å; D147-Q151 WeakPolarHBondContact O-CG 3.36Å; D147-Q151 PolarHBondContact O-N 3.26Å; D147-Q151 PolarHBondContact OD1-NE2 3.12Å |
| 148 | Y | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.5 | -37.7 | 175.5 | -70.6 | -32.2 | 0 | 0 | 0 | 113 | A118 Y124 Q127 L128 L131 R144 N152 H153 I154 | A118-Y148 HydrophobicContact CB-CD2 3.91Å; A118-Y148 HydrophobicContact CB-CE2 3.72Å; Y124-Y148 HydrophobicContact CD2-CE1 4.05Å; Y124-Y148 HydrophobicContact CE1-CE1 4.28Å; Y124-Y148 HydrophobicContact CE2-CD1 4.11Å; Y124-Y148 AromaticContact CE2-CE1 3.45Å; Y124-Y148 HydrophobicContact CE2-CE1 3.45Å; Y124-Y148 VanDerWaalsContact CE2-CE1 3.45Å; Y124-Y148 AromaticContact CZ-CE1 3.58Å; Y124-Y148 PolarHBondContact O-OH 3.47Å; Y124-Y148 VanDerWaalsContact O-OH 3.1Å; Q127-Y148 VanDerWaalsContact CB-OH 3.25Å; Q127-Y148 WeakPolarHBondContact CB-OH 3.26Å; L128-Y148 HydrophobicContact CB-CE1 4.34Å; L128-Y148 HydrophobicContact CD1-CE1 4.37Å; L131-Y148 HydrophobicContact CD1-CD2 3.41Å; L131-Y148 VanDerWaalsContact CD1-CD2 3.41Å; L131-Y148 HydrophobicContact CD1-CE2 3.49Å; L131-Y148 VanDerWaalsContact CD1-CE2 3.49Å; L131-Y148 HydrophobicContact CD1-CG 4Å; R144-Y148 HydrophobicContact CG-CD2 3.9Å; R144-Y148 HydrophobicContact CG-CE2 3.56Å; R144-Y148 PolarHBondContact NH1-OH 3.21Å; R144-Y148 VanDerWaalsContact NH1-OH 3.08Å; R144-Y148 PolarHBondContact O-N 2.96Å; Y148-N152 PolarHBondContact O-N 3.24Å; Y148-H153 HydrophobicContact CD1-CB 4.19Å; Y148-H153 AromaticContact CD1-CD2 3.85Å; Y148-H153 HydrophobicContact CG-CB 4.43Å; Y148-H153 WeakPolarHBondContact O-CB 3.4Å; Y148-H153 PolarHBondContact O-N 3.23Å; Y148-I154 PolarHBondContact O-N 3.15Å |
| 149 | A | 97.8 | Very high | 97.3 | Very high | 11 Ų | 11 | 32 Ų | 32 | 9% | 0.091 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.8 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L145 I146 D147 Q151 N152 I154 W181 | L145-A149 VanDerWaalsContact O-CB 3.32Å; L145-A149 WeakPolarHBondContact O-CB 3.45Å; L145-A149 PolarHBondContact O-N 3.14Å; I146-A149 PolarHBondContact O-N 3.42Å; D147-A149 VanDerWaalsContact C-N 3.3Å; D147-A149 PolarHBondContact O-N 2.96Å; A149-Q151 VanDerWaalsContact C-N 3.31Å; A149-Q151 PolarHBondContact O-N 2.8Å; A149-N152 PolarHBondContact O-N 3.47Å; A149-N152 VanDerWaalsContact O-N 3.12Å; A149-I154 HydrophobicContact CB-CD1 4.35Å; A149-I154 HydrophobicContact CB-CG1 3.96Å; A149-W181 HydrophobicContact CB-CH2 3.96Å; A149-W181 HydrophobicContact CB-CZ3 3.9Å |
| 150 | K | 97.7 | Very high | 97.2 | Very high | 135 Ų | 135 | 33.3 Ų | 33.3 | 59% | 0.587 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -66 | -35.1 | 177.9 | -78.4 | -178.3 | 177.1 | 174.8 | 0 | 112.2 | I146 D147 N152 W181 | I146-K150 HydrophobicContact CG2-CD 3.88Å; I146-K150 HydrophobicContact CG2-CG 4.16Å; I146-K150 WeakPolarHBondContact O-CB 3.43Å; I146-K150 WeakPolarHBondContact O-CG 3.25Å; I146-K150 PolarHBondContact O-N 2.96Å; D147-K150 PolarHBondContact O-N 2.82Å; K150-N152 PolarHBondContact O-N 2.98Å; K150-W181 HydrophobicContact CD-CZ2 4.28Å; K150-W181 HydrophobicContact CG-CH2 3.64Å; K150-W181 HydrophobicContact CG-CZ2 3.6Å |
| 151 | Q | 96.8 | Very high | 97.3 | Very high | 87 Ų | 87 | 33.3 Ų | 33.3 | 41% | 0.407 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 2.9 | 175.4 | -64.7 | -172.6 | 39.1 | 0 | 0 | 113.3 | Y124 D147 A149 H153 | Y124-Q151 PolarHBondContact OH-NE2 3.44Å; Y124-Q151 PolarHBondContact OH-OE1 2.88Å; D147-Q151 WeakPolarHBondContact O-CB 3.39Å; D147-Q151 WeakPolarHBondContact O-CG 3.36Å; D147-Q151 PolarHBondContact O-N 3.26Å; D147-Q151 PolarHBondContact OD1-NE2 3.12Å; A149-Q151 VanDerWaalsContact C-N 3.31Å; A149-Q151 PolarHBondContact O-N 2.8Å; Q151-H153 WeakPolarHBondContact CB-CD2 3.47Å; Q151-H153 WeakPolarHBondContact CB-NE2 3.47Å; Q151-H153 PolarHBondContact O-N 2.71Å; Q151-H153 PolarHBondContact OE1-CD2 2.9Å; Q151-H153 PolarHBondContact OE1-NE2 3.14Å |
| 152 | N | 95.7 | Very high | 97.4 | Very high | 123 Ų | 123 | 32.7 Ų | 32.7 | 66% | 0.658 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 15.6 | -177 | -58 | -60 | 0 | 0 | 0 | 115.4 | N83 Y148 A149 K150 I154 | N83-N152 PolarHBondContact ND2-O 2.89Å; Y148-N152 PolarHBondContact O-N 3.24Å; A149-N152 PolarHBondContact O-N 3.47Å; A149-N152 VanDerWaalsContact O-N 3.12Å; K150-N152 PolarHBondContact O-N 2.98Å; N152-I154 PolarHBondContact O-N 3.03Å |
| 153 | H | 97.4 | Very high | 97.6 | Very high | 49 Ų | 49 | 32.7 Ų | 32.7 | 23% | 0.227 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -67.3 | -27.2 | 172.1 | -64.1 | -46.4 | 0 | 0 | 0 | 112 | N83 L128 Y148 Q151 | N83-H153 WeakPolarHBondContact CB-O 3.37Å; L128-H153 HydrophobicContact CD1-CB 3.66Å; Y148-H153 HydrophobicContact CD1-CB 4.19Å; Y148-H153 AromaticContact CD1-CD2 3.85Å; Y148-H153 HydrophobicContact CG-CB 4.43Å; Y148-H153 WeakPolarHBondContact O-CB 3.4Å; Y148-H153 PolarHBondContact O-N 3.23Å; Q151-H153 WeakPolarHBondContact CB-CD2 3.47Å; Q151-H153 WeakPolarHBondContact CB-NE2 3.47Å; Q151-H153 PolarHBondContact O-N 2.71Å; Q151-H153 PolarHBondContact OE1-CD2 2.9Å; Q151-H153 PolarHBondContact OE1-NE2 3.14Å |
| 154 | I | 98.2 | Very high | 97.8 | Very high | 5 Ų | 5 | 31 Ų | 31 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | trans | -131.4 | 149.7 | 169.6 | 65.4 | 177.7 | 0 | 0 | 0 | 110.9 | N83 L131 L138 L145 Y148 A149 N152 L156 | N83-I154 CarbonylContact O-C 3.49Å; N83-I154 WeakPolarHBondContact O-CA 3.49Å; L131-I154 HydrophobicContact CD1-CG2 3.97Å; L138-I154 HydrophobicContact CD2-CD1 3.66Å; L138-I154 HydrophobicContact CD2-CG2 4.07Å; L145-I154 HydrophobicContact CD2-CD1 4.43Å; Y148-I154 PolarHBondContact O-N 3.15Å; A149-I154 HydrophobicContact CB-CD1 4.35Å; A149-I154 HydrophobicContact CB-CG1 3.96Å; N152-I154 PolarHBondContact O-N 3.03Å; I154-L156 HydrophobicContact CD1-CD2 3.99Å; I154-L156 HydrophobicContact CG1-CD2 4.44Å | ||
| 155 | N | 98.3 | Very high | 97.8 | Very high | 70 Ų | 70 | 30 Ų | 30 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | trans | -126.7 | 124.3 | 171.8 | 178.7 | -66 | 0 | 0 | 0 | 109.2 | N83 Q84 G157 | N83-N155 PolarHBondContact O-N 3.39Å; Q84-N155 WeakPolarHBondContact CA-O 3.33Å; Q84-N155 HydrophobicContact CG-CB 3.84Å; Q84-N155 PolarHBondContact NE2-OD1 3.26Å; Q84-N155 VanDerWaalsContact NE2-OD1 3.14Å; N155-G157 VanDerWaalsContact C-N 3.31Å; N155-G157 PolarHBondContact O-N 3.35Å; N155-G157 PolarHBondContact OD1-N 2.93Å | ||
| 156 | L | 98.5 | Very high | 97.5 | Very high | 5 Ų | 5 | 31.1 Ų | 31.1 | 3% | 0.026 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -88.7 | 4.7 | -171.5 | -55.5 | 179.3 | 0 | 0 | 0 | 113.7 | P85 L88 I154 A158 I159 L182 R185 M186 P187 | P85-L156 HydrophobicContact CG-CD2 4.31Å; L88-L156 HydrophobicContact CD2-CD2 4.44Å; I154-L156 HydrophobicContact CD1-CD2 3.99Å; I154-L156 HydrophobicContact CG1-CD2 4.44Å; L156-A158 PolarHBondContact O-N 3.32Å; L156-A158 VanDerWaalsContact O-N 3.14Å; L156-I159 HydrophobicContact CB-CG1 4.13Å; L156-I159 HydrophobicContact CD2-CG1 4.38Å; L156-I159 WeakPolarHBondContact O-CB 3.37Å; L156-I159 WeakPolarHBondContact O-CG1 3.32Å; L156-I159 PolarHBondContact O-N 3.49Å; L156-L182 HydrophobicContact CD1-CB 4.32Å; L156-L182 HydrophobicContact CD1-CD2 3.63Å; L156-R185 CarbonylContact C-O 3.54Å; L156-R185 HydrophobicContact CB-CB 4.31Å; L156-R185 HydrophobicContact CD1-CB 4.33Å; L156-M186 HydrophobicContact CB-CG 3.74Å; L156-M186 HydrophobicContact CD1-CE 3.99Å; L156-M186 HydrophobicContact CD1-CG 4.33Å; L156-M186 WeakPolarHBondContact O-CA 3.45Å; L156-P187 WeakPolarHBondContact O-CD 3.45Å |
| 157 | G | 97.3 | Very high | 97.2 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 35% | 0.351 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -69.8 | -7.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | N155 R185 P187 | N155-G157 VanDerWaalsContact C-N 3.31Å; N155-G157 PolarHBondContact O-N 3.35Å; N155-G157 PolarHBondContact OD1-N 2.93Å; G157-R185 PolarHBondContact N-O 3.04Å; G157-P187 WeakPolarHBondContact O-CG 3.47Å |
| 158 | A | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 28.5 Ų | 28.5 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | G | 310 helix | trans | -110.9 | 13.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | I77 R80 Q84 P85 L156 Q160 | I77-A158 HydrophobicContact CD1-CB 3.63Å; I77-A158 HydrophobicContact CG1-CB 4.2Å; R80-A158 HydrophobicContact CG-CB 4.15Å; Q84-A158 HydrophobicContact CB-CB 3.77Å; Q84-A158 HydrophobicContact CG-CB 4.35Å; P85-A158 CarbonylContact O-C 3.5Å; L156-A158 PolarHBondContact O-N 3.32Å; L156-A158 VanDerWaalsContact O-N 3.14Å; A158-Q160 PolarHBondContact O-N 3.49Å |
| 159 | I | 98.7 | Very high | 96 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | -65.8 | 120.2 | 179 | -68.7 | -68.2 | 0 | 0 | 0 | 110.3 | P85 R86 L88 L156 V161 V162 M186 P187 | P85-I159 HydrophobicContact CB-CD1 4.32Å; P85-I159 HydrophobicContact CG-CD1 4.12Å; P85-I159 WeakPolarHBondContact O-CD1 3.11Å; R86-I159 CarbonylContact O-C 3.58Å; L88-I159 HydrophobicContact CB-CD1 3.73Å; L156-I159 HydrophobicContact CB-CG1 4.13Å; L156-I159 HydrophobicContact CD2-CG1 4.38Å; L156-I159 WeakPolarHBondContact O-CB 3.37Å; L156-I159 WeakPolarHBondContact O-CG1 3.32Å; L156-I159 PolarHBondContact O-N 3.49Å; I159-V161 WeakPolarHBondContact CG2-O 3.39Å; I159-V162 HydrophobicContact CG2-CB 4.28Å; I159-M186 HydrophobicContact CB-CB 4.38Å; I159-M186 HydrophobicContact CB-CG 4.1Å; I159-M186 HydrophobicContact CG1-CG 4.05Å; I159-M186 HydrophobicContact CG2-CG 4.36Å; I159-M186 HydrophobicContact CG2-SD 4.14Å; I159-P187 WeakPolarHBondContact O-CG 3.45Å | ||
| 160 | Q | 98.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 28.6 Ų | 28.6 | 12% | 0.121 | 15% | 0.148 | C | C | . | . | S | Bend | trans | -102.3 | -24 | 175.5 | -64.7 | 178.7 | -78.5 | 0 | 0 | 112.1 | Y70 L71 P75 R86 A158 R192 L193 | Y70-Q160 HydrophobicContact CE1-CB 4.07Å; L71-Q160 HydrophobicContact CD2-CB 4.1Å; P75-Q160 PolarHBondContact O-NE2 2.87Å; R86-Q160 VanDerWaalsContact CZ-OE1 3.22Å; R86-Q160 PolarHBondContact O-N 2.89Å; A158-Q160 PolarHBondContact O-N 3.49Å; Q160-R192 CarbonylContact O-C 3.55Å; Q160-R192 WeakPolarHBondContact O-CA 3.46Å; Q160-R192 WeakPolarHBondContact O-CB 3.37Å; Q160-L193 PolarHBondContact O-N 3.11Å |
| 161 | V | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 132.3 | 176.7 | -172 | 0 | 0 | 0 | 0 | 110.3 | T67 Y70 L71 R86 A87 L88 I159 V163 L193 M195 | T67-V161 HydrophobicContact CG2-CB 4.3Å; T67-V161 HydrophobicContact CG2-CG1 4.14Å; Y70-V161 HydrophobicContact CD1-CG2 3.44Å; Y70-V161 VanDerWaalsContact CD1-CG2 3.44Å; Y70-V161 HydrophobicContact CE1-CG2 4.13Å; Y70-V161 HydrophobicContact CG-CG2 3.82Å; L71-V161 HydrophobicContact CD2-CG2 4.06Å; L71-V161 HydrophobicContact CG-CG2 4.43Å; R86-V161 PolarHBondContact O-N 3.23Å; A87-V161 CarbonylContact C-O 3.59Å; A87-V161 WeakPolarHBondContact CA-O 3.39Å; A87-V161 HydrophobicContact CB-CB 3.96Å; L88-V161 PolarHBondContact N-O 3.12Å; I159-V161 WeakPolarHBondContact CG2-O 3.39Å; V161-V163 HydrophobicContact CG1-CG2 4.4Å; V161-L193 CarbonylContact C-O 3.58Å; V161-L193 VanDerWaalsContact CA-O 3.31Å; V161-L193 WeakPolarHBondContact CA-O 3.35Å; V161-L193 HydrophobicContact CG1-CB 4.38Å; V161-L193 HydrophobicContact CG1-CD2 4.32Å; V161-L193 HydrophobicContact CG1-CG 4.43Å; V161-L193 HydrophobicContact CG2-CB 4.33Å; V161-M195 HydrophobicContact CG1-CE 3.45Å; V161-M195 VanDerWaalsContact CG1-CE 3.45Å |
| 162 | V | 98.9 | Very high | 94 | Very high | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 135.6 | 170.9 | 65 | 0 | 0 | 0 | 0 | 110.7 | L88 M90 I159 F183 M186 L193 N194 M195 | L88-V162 CarbonylContact O-C 3.55Å; L88-V162 WeakPolarHBondContact O-CA 3.12Å; M90-V162 HydrophobicContact CE-CG2 3.42Å; M90-V162 VanDerWaalsContact CE-CG2 3.42Å; I159-V162 HydrophobicContact CG2-CB 4.28Å; V162-F183 HydrophobicContact CG1-CE1 3.98Å; V162-F183 HydrophobicContact CG1-CZ 4.03Å; V162-F183 HydrophobicContact CG2-CE2 4.26Å; V162-F183 HydrophobicContact CG2-CZ 3.9Å; V162-M186 HydrophobicContact CB-SD 4.37Å; V162-M186 HydrophobicContact CG2-CE 4.15Å; V162-M186 HydrophobicContact CG2-SD 4.16Å; V162-L193 PolarHBondContact N-O 3.48Å; V162-N194 HydrophobicContact CG1-CB 4.05Å; V162-N194 WeakPolarHBondContact CG1-OD1 3.4Å; V162-M195 PolarHBondContact O-N 3.35Å |
| 163 | V | 98.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 132.1 | 177.8 | -174.3 | 0 | 0 | 0 | 0 | 110 | F63 L88 I89 M90 V161 M195 | F63-V163 HydrophobicContact CB-CG1 3.93Å; F63-V163 HydrophobicContact CB-CG2 4.17Å; F63-V163 HydrophobicContact CD1-CG1 3.89Å; F63-V163 HydrophobicContact CD2-CG1 3.88Å; F63-V163 HydrophobicContact CD2-CG2 4.28Å; F63-V163 HydrophobicContact CE1-CG1 4.28Å; F63-V163 HydrophobicContact CE2-CG1 4.32Å; F63-V163 HydrophobicContact CG-CG1 3.67Å; F63-V163 HydrophobicContact CG-CG2 4.43Å; F63-V163 HydrophobicContact CZ-CG1 4.5Å; L88-V163 PolarHBondContact O-N 3.36Å; I89-V163 HydrophobicContact CB-CB 4.27Å; I89-V163 HydrophobicContact CD1-CG2 4.49Å; I89-V163 HydrophobicContact CG1-CB 4.01Å; I89-V163 HydrophobicContact CG1-CG2 3.99Å; I89-V163 HydrophobicContact CG2-CB 4.01Å; I89-V163 HydrophobicContact CG2-CG1 4.24Å; M90-V163 PolarHBondContact N-O 3.07Å; V161-V163 HydrophobicContact CG1-CG2 4.4Å; V163-M195 CarbonylContact C-O 3.37Å; V163-M195 VanDerWaalsContact CA-O 3.27Å; V163-M195 WeakPolarHBondContact CA-O 3.4Å; V163-M195 HydrophobicContact CG1-CB 4.46Å; V163-M195 HydrophobicContact CG2-CB 4.25Å; V163-M195 HydrophobicContact CG2-CE 3.56Å |
| 164 | L | 98.3 | Very high | 92.7 | Very high | 6 Ų | 6 | 20.1 Ų | 20.1 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 110.8 | 166.2 | -69 | 169.1 | 0 | 0 | 0 | 108.5 | M90 A167 M170 I179 F183 M195 L196 F197 L208 | M90-L164 HydrophobicContact CB-CD2 4Å; M90-L164 HydrophobicContact CE-CD2 3.58Å; M90-L164 HydrophobicContact CE-CG 4.28Å; M90-L164 HydrophobicContact SD-CD2 4.09Å; L164-A167 HydrophobicContact CB-CB 4.46Å; L164-M170 HydrophobicContact CB-CE 3.8Å; L164-M170 HydrophobicContact CD2-CE 3.64Å; L164-M170 HydrophobicContact CD2-SD 3.94Å; L164-M170 HydrophobicContact CG-CE 4.35Å; L164-I179 HydrophobicContact CD1-CG2 4.35Å; L164-I179 HydrophobicContact CD2-CD1 4.21Å; L164-I179 HydrophobicContact CD2-CG1 4.22Å; L164-I179 HydrophobicContact CD2-CG2 4.08Å; L164-F183 HydrophobicContact CD1-CE2 4.04Å; L164-F183 HydrophobicContact CD1-CZ 3.9Å; L164-F183 HydrophobicContact CD2-CE2 4.18Å; L164-F183 HydrophobicContact CG-CE2 4.27Å; L164-F183 HydrophobicContact CG-CZ 4.24Å; L164-M195 PolarHBondContact N-O 3.13Å; L164-L196 HydrophobicContact CB-CB 4.5Å; L164-L196 HydrophobicContact CB-CG 4.26Å; L164-L196 HydrophobicContact CD1-CD1 4.02Å; L164-L196 WeakPolarHBondContact O-CA 3.31Å; L164-F197 PolarHBondContact O-N 3.17Å; L164-L208 HydrophobicContact CD1-CD2 3.78Å; L164-L208 HydrophobicContact CD1-CG 4.26Å |
| 165 | D | 95.7 | Very high | 92.2 | Very high | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 132.3 | 176.1 | -165.3 | 18.6 | 0 | 0 | 0 | 110.9 | F63 M90 P92 I100 M170 | F63-D165 HydrophobicContact CE1-CB 4Å; F63-D165 WeakPolarHBondContact CE1-OD2 3.33Å; F63-D165 HydrophobicContact CZ-CB 4.24Å; M90-D165 PolarHBondContact O-N 2.75Å; P92-D165 WeakPolarHBondContact CD-O 3.41Å; I100-D165 HydrophobicContact CD1-CB 4.19Å; I100-D165 WeakPolarHBondContact CD1-OD2 3.39Å; D165-M170 WeakPolarHBondContact O-CE 3.06Å |
| 166 | E | 91.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 20.1 Ų | 20.1 | 10% | 0.103 | 12% | 0.12 | C | C | . | . | S | Bend | trans | 57.2 | 59.2 | -169.2 | -58.9 | -171.5 | 177 | 0 | 0 | 112.2 | P92 L96 R169 M170 F197 | P92-E166 HydrophobicContact CG-CB 3.79Å; L96-E166 HydrophobicContact CD2-CB 4.38Å; L96-E166 HydrophobicContact CD2-CG 3.84Å; E166-R169 HydrophobicContact CB-CB 3.88Å; E166-R169 VanDerWaalsContact O-CB 3.31Å; E166-R169 WeakPolarHBondContact O-CB 3.47Å; E166-R169 PolarHBondContact O-N 3.3Å; E166-M170 PolarHBondContact O-N 2.87Å; E166-F197 PolarHBondContact N-O 3.21Å |
| 167 | A | 92 | Very high | 91.5 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.7 | -37.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L164 R169 M170 Y171 L196 F197 V205 | L164-A167 HydrophobicContact CB-CB 4.46Å; A167-R169 PolarHBondContact O-N 2.99Å; A167-M170 PolarHBondContact O-N 3.05Å; A167-Y171 PolarHBondContact O-N 2.85Å; A167-Y171 VanDerWaalsContact O-N 3.11Å; A167-L196 HydrophobicContact CB-CD1 3.73Å; A167-L196 HydrophobicContact CB-CD2 3.85Å; A167-L196 HydrophobicContact CB-CG 3.68Å; A167-F197 PolarHBondContact N-O 2.85Å; A167-V205 HydrophobicContact CB-CG1 4.03Å |
| 168 | D | 86.2 | Confident | 91.5 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.07 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -51.4 | -46.8 | 168 | 46 | 10.7 | 0 | 0 | 0 | 110.9 | M170 Y171 D172 S198 A199 T200 V205 | D168-M170 PolarHBondContact O-N 2.92Å; D168-Y171 WeakPolarHBondContact O-CA 3.36Å; D168-Y171 WeakPolarHBondContact O-CB 3.39Å; D168-Y171 PolarHBondContact O-N 2.62Å; D168-D172 PolarHBondContact O-N 3.18Å; D168-S198 WeakPolarHBondContact CB-OG 3.36Å; D168-S198 PolarHBondContact N-OG 3.27Å; D168-S198 VanDerWaalsContact N-OG 3.14Å; D168-S198 PolarHBondContact OD1-OG 3.1Å; D168-S198 PolarHBondContact OD2-OG 2.72Å; D168-A199 PolarHBondContact OD2-N 3.43Å; D168-T200 PolarHBondContact OD2-N 3.02Å; D168-T200 PolarHBondContact OD2-OG1 2.92Å; D168-V205 VanDerWaalsContact CA-CG2 3.49Å; D168-V205 HydrophobicContact CB-CG2 3.88Å |
| 169 | R | 82.5 | Confident | 91.4 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 5% | 0.053 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.3 | -39.9 | 179.7 | -172 | 68.2 | -147.5 | 153.7 | -13.1 | 113.3 | P92 E166 A167 Y171 D172 L173 R318 | P92-R169 HydrophobicContact CB-CB 4.19Å; P92-R169 HydrophobicContact CB-CG 3.72Å; P92-R169 HydrophobicContact CG-CB 4.04Å; P92-R169 HydrophobicContact CG-CG 3.77Å; E166-R169 HydrophobicContact CB-CB 3.88Å; E166-R169 VanDerWaalsContact O-CB 3.31Å; E166-R169 WeakPolarHBondContact O-CB 3.47Å; E166-R169 PolarHBondContact O-N 3.3Å; A167-R169 PolarHBondContact O-N 2.99Å; R169-Y171 PolarHBondContact O-N 2.95Å; R169-D172 IonicContact NH1-OD2 3.5Å; R169-D172 PolarHBondContact NH1-OD2 3.45Å; R169-D172 VanDerWaalsContact NH1-OD2 3.11Å; R169-D172 PolarHBondContact O-N 3.43Å; R169-L173 HydrophobicContact CG-CD1 4.18Å; R169-L173 WeakPolarHBondContact O-CG 3.18Å; R169-L173 PolarHBondContact O-N 3.04Å; R169-L173 VanDerWaalsContact O-N 3.09Å; R169-R318 VanDerWaalsContact NH2-CZ 3.28Å |
| 170 | M | 89.2 | Confident | 91.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.8 | -31.4 | 174.5 | -70.1 | -169.7 | -108.8 | 0 | 0 | 112 | M90 P92 T142 L164 D165 E166 A167 D168 G174 F175 I179 | M90-M170 HydrophobicContact CB-CE 4.42Å; M90-M170 HydrophobicContact CB-SD 4.33Å; M90-M170 WeakPolarHBondContact O-CE 3.29Å; P92-M170 HydrophobicContact CB-CG 3.8Å; P92-M170 HydrophobicContact CG-CG 4.39Å; T142-M170 HydrophobicContact CG2-SD 4.39Å; L164-M170 HydrophobicContact CB-CE 3.8Å; L164-M170 HydrophobicContact CD2-CE 3.64Å; L164-M170 HydrophobicContact CD2-SD 3.94Å; L164-M170 HydrophobicContact CG-CE 4.35Å; D165-M170 WeakPolarHBondContact O-CE 3.06Å; E166-M170 PolarHBondContact O-N 2.87Å; A167-M170 PolarHBondContact O-N 3.05Å; D168-M170 PolarHBondContact O-N 2.92Å; M170-G174 PolarHBondContact O-N 2.89Å; M170-F175 HydrophobicContact CB-CB 4.38Å; M170-F175 WeakPolarHBondContact O-CB 3.39Å; M170-F175 PolarHBondContact O-N 3.43Å; M170-I179 HydrophobicContact CB-CD1 3.71Å; M170-I179 HydrophobicContact CG-CD1 4.32Å; M170-I179 HydrophobicContact SD-CD1 3.69Å; M170-I179 HydrophobicContact SD-CG1 4.23Å |
| 171 | Y | 82 | Confident | 91.2 | Very high | 27 Ų | 27 | 32.1 Ų | 32.1 | 11% | 0.106 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.8 | -49.5 | 171.9 | -100 | -79.7 | 0 | 0 | 0 | 112.2 | A167 D168 R169 L173 G174 I176 R204 V205 L208 | A167-Y171 PolarHBondContact O-N 2.85Å; A167-Y171 VanDerWaalsContact O-N 3.11Å; D168-Y171 WeakPolarHBondContact O-CA 3.36Å; D168-Y171 WeakPolarHBondContact O-CB 3.39Å; D168-Y171 PolarHBondContact O-N 2.62Å; R169-Y171 PolarHBondContact O-N 2.95Å; Y171-L173 PolarHBondContact O-N 3.19Å; Y171-G174 WeakPolarHBondContact O-CA 3.36Å; Y171-G174 PolarHBondContact O-N 3.22Å; Y171-I176 HydrophobicContact CD1-CB 3.95Å; Y171-I176 HydrophobicContact CD1-CD1 4.5Å; Y171-I176 HydrophobicContact CD1-CG1 4.19Å; Y171-I176 HydrophobicContact CD1-CG2 4.35Å; Y171-I176 HydrophobicContact CE1-CB 3.77Å; Y171-I176 HydrophobicContact CE1-CD1 3.75Å; Y171-I176 HydrophobicContact CE1-CG1 3.48Å; Y171-I176 VanDerWaalsContact CE1-CG1 3.48Å; Y171-I176 HydrophobicContact CE1-CG2 4.25Å; Y171-I176 HydrophobicContact CE2-CD1 3.74Å; Y171-I176 HydrophobicContact CE2-CG1 4.41Å; Y171-I176 VanDerWaalsContact OH-CD1 3.25Å; Y171-I176 WeakPolarHBondContact OH-CD1 2.99Å; Y171-R204 HydrophobicContact CD1-CB 4.08Å; Y171-R204 HydrophobicContact CD2-CB 4.46Å; Y171-R204 HydrophobicContact CE1-CB 3.88Å; Y171-R204 HydrophobicContact CE2-CB 4.3Å; Y171-R204 VanDerWaalsContact CE2-O 3.26Å; Y171-R204 WeakPolarHBondContact CE2-O 3.49Å; Y171-R204 HydrophobicContact CG-CB 4.35Å; Y171-R204 VanDerWaalsContact CZ-O 3.22Å; Y171-R204 PolarHBondContact OH-O 3.19Å; Y171-V205 HydrophobicContact CD2-CG2 4.22Å; Y171-L208 HydrophobicContact CD2-CD2 4.38Å; Y171-L208 HydrophobicContact CE2-CB 3.62Å; Y171-L208 HydrophobicContact CE2-CD2 3.72Å; Y171-L208 HydrophobicContact CE2-CG 4.28Å; Y171-L208 WeakPolarHBondContact OH-CB 3.46Å |
| 172 | D | 78.9 | Confident | 91.2 | Very high | 84 Ų | 84 | 32.1 Ų | 32.1 | 45% | 0.449 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -59.1 | -37.3 | -179.1 | -59.1 | -22.5 | 0 | 0 | 0 | 112.3 | D168 R169 G174 | D168-D172 PolarHBondContact O-N 3.18Å; R169-D172 IonicContact NH1-OD2 3.5Å; R169-D172 PolarHBondContact NH1-OD2 3.45Å; R169-D172 VanDerWaalsContact NH1-OD2 3.11Å; R169-D172 PolarHBondContact O-N 3.43Å; D172-G174 PolarHBondContact O-N 3.1Å |
| 173 | L | 80.9 | Confident | 91.2 | Very high | 57 Ų | 57 | 32.4 Ų | 32.4 | 30% | 0.298 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -0.6 | 177.4 | -66.6 | 175.1 | 0 | 0 | 0 | 113.2 | P92 R169 Y171 F175 | P92-L173 HydrophobicContact CB-CD1 3.81Å; R169-L173 HydrophobicContact CG-CD1 4.18Å; R169-L173 WeakPolarHBondContact O-CG 3.18Å; R169-L173 PolarHBondContact O-N 3.04Å; R169-L173 VanDerWaalsContact O-N 3.09Å; Y171-L173 PolarHBondContact O-N 3.19Å; L173-F175 VanDerWaalsContact C-N 3.33Å; L173-F175 HydrophobicContact CB-CD2 3.71Å; L173-F175 HydrophobicContact CB-CE1 4.44Å; L173-F175 HydrophobicContact CB-CE2 3.52Å; L173-F175 HydrophobicContact CB-CG 4.26Å; L173-F175 HydrophobicContact CB-CZ 3.91Å; L173-F175 HydrophobicContact CD1-CD2 4.24Å; L173-F175 HydrophobicContact CD1-CE2 3.58Å; L173-F175 HydrophobicContact CD1-CZ 4.3Å; L173-F175 HydrophobicContact CG-CE2 4.19Å; L173-F175 PolarHBondContact O-N 3.43Å |
| 174 | G | 84 | Confident | 91.1 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 50% | 0.495 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77 | 14.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | M170 Y171 D172 I176 | M170-G174 PolarHBondContact O-N 2.89Å; Y171-G174 WeakPolarHBondContact O-CA 3.36Å; Y171-G174 PolarHBondContact O-N 3.22Å; D172-G174 PolarHBondContact O-N 3.1Å; G174-I176 PolarHBondContact O-N 2.95Å |
| 175 | F | 89.5 | Confident | 91.1 | Very high | 52 Ų | 52 | 46.6 Ų | 46.6 | 23% | 0.228 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 2 | -177 | -59 | -37.3 | 0 | 0 | 0 | 114.2 | P92 T142 M170 L173 K177 D178 I179 | P92-F175 WeakPolarHBondContact O-CE2 3.41Å; T142-F175 HydrophobicContact CG2-CB 4.3Å; M170-F175 HydrophobicContact CB-CB 4.38Å; M170-F175 WeakPolarHBondContact O-CB 3.39Å; M170-F175 PolarHBondContact O-N 3.43Å; L173-F175 VanDerWaalsContact C-N 3.33Å; L173-F175 HydrophobicContact CB-CD2 3.71Å; L173-F175 HydrophobicContact CB-CE1 4.44Å; L173-F175 HydrophobicContact CB-CE2 3.52Å; L173-F175 HydrophobicContact CB-CG 4.26Å; L173-F175 HydrophobicContact CB-CZ 3.91Å; L173-F175 HydrophobicContact CD1-CD2 4.24Å; L173-F175 HydrophobicContact CD1-CE2 3.58Å; L173-F175 HydrophobicContact CD1-CZ 4.3Å; L173-F175 HydrophobicContact CG-CE2 4.19Å; L173-F175 PolarHBondContact O-N 3.43Å; F175-K177 VanDerWaalsContact C-N 3.3Å; F175-K177 PolarHBondContact O-N 2.96Å; F175-D178 CarbonylContact O-C 3.58Å; F175-D178 WeakPolarHBondContact O-CA 3.22Å; F175-D178 WeakPolarHBondContact O-CB 3.22Å; F175-D178 PolarHBondContact O-N 3.28Å; F175-I179 WeakPolarHBondContact O-CG1 3.47Å; F175-I179 PolarHBondContact O-N 3.37Å |
| 176 | I | 90.2 | Very high | 91.2 | Very high | 23 Ų | 23 | 47.2 Ų | 47.2 | 12% | 0.118 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -39.5 | -178.8 | -174.7 | 57.3 | 0 | 0 | 0 | 113.5 | Y171 G174 D178 I179 R180 L208 | Y171-I176 HydrophobicContact CD1-CB 3.95Å; Y171-I176 HydrophobicContact CD1-CD1 4.5Å; Y171-I176 HydrophobicContact CD1-CG1 4.19Å; Y171-I176 HydrophobicContact CD1-CG2 4.35Å; Y171-I176 HydrophobicContact CE1-CB 3.77Å; Y171-I176 HydrophobicContact CE1-CD1 3.75Å; Y171-I176 HydrophobicContact CE1-CG1 3.48Å; Y171-I176 VanDerWaalsContact CE1-CG1 3.48Å; Y171-I176 HydrophobicContact CE1-CG2 4.25Å; Y171-I176 HydrophobicContact CE2-CD1 3.74Å; Y171-I176 HydrophobicContact CE2-CG1 4.41Å; Y171-I176 VanDerWaalsContact OH-CD1 3.25Å; Y171-I176 WeakPolarHBondContact OH-CD1 2.99Å; G174-I176 PolarHBondContact O-N 2.95Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.39Å; I176-I179 PolarHBondContact O-N 2.85Å; I176-R180 HydrophobicContact CD1-CG 4.35Å; I176-R180 WeakPolarHBondContact O-CB 3.28Å; I176-R180 WeakPolarHBondContact O-CG 3.32Å; I176-R180 PolarHBondContact O-N 3.07Å; I176-L208 HydrophobicContact CD1-CB 4.43Å; I176-L208 HydrophobicContact CD1-CD1 3.68Å; I176-L208 HydrophobicContact CD1-CD2 4.11Å; I176-L208 HydrophobicContact CD1-CG 4.3Å |
| 177 | K | 91.8 | Very high | 91.5 | Very high | 165 Ų | 165 | 47.3 Ų | 47.3 | 72% | 0.717 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65.5 | -38.4 | 177 | -69.8 | -177.7 | -179.6 | 175.5 | 0 | 111 | F175 W181 | F175-K177 VanDerWaalsContact C-N 3.3Å; F175-K177 PolarHBondContact O-N 2.96Å; K177-W181 WeakPolarHBondContact O-CB 3.34Å; K177-W181 PolarHBondContact O-N 3Å |
| 178 | D | 95.7 | Very high | 91.7 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 31% | 0.31 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69 | -43.6 | 178.8 | -74.4 | -4.6 | 0 | 0 | 0 | 111.3 | I146 F175 I176 W181 L182 | I146-D178 HydrophobicContact CD1-CB 3.36Å; I146-D178 VanDerWaalsContact CD1-CG 3.49Å; F175-D178 CarbonylContact O-C 3.58Å; F175-D178 WeakPolarHBondContact O-CA 3.22Å; F175-D178 WeakPolarHBondContact O-CB 3.22Å; F175-D178 PolarHBondContact O-N 3.28Å; I176-D178 VanDerWaalsContact C-N 3.29Å; I176-D178 PolarHBondContact O-N 3.39Å; D178-W181 WeakPolarHBondContact O-CB 3.43Å; D178-W181 PolarHBondContact O-N 3.41Å; D178-L182 WeakPolarHBondContact O-CG 3.46Å; D178-L182 PolarHBondContact O-N 3.44Å |
| 179 | I | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.2 | -56.2 | 172.3 | -69 | 162.8 | 0 | 0 | 0 | 109.7 | T142 L164 M170 F175 I176 W181 L182 F183 L208 | T142-I179 HydrophobicContact CG2-CG1 3.95Å; L164-I179 HydrophobicContact CD1-CG2 4.35Å; L164-I179 HydrophobicContact CD2-CD1 4.21Å; L164-I179 HydrophobicContact CD2-CG1 4.22Å; L164-I179 HydrophobicContact CD2-CG2 4.08Å; M170-I179 HydrophobicContact CB-CD1 3.71Å; M170-I179 HydrophobicContact CG-CD1 4.32Å; M170-I179 HydrophobicContact SD-CD1 3.69Å; M170-I179 HydrophobicContact SD-CG1 4.23Å; F175-I179 WeakPolarHBondContact O-CG1 3.47Å; F175-I179 PolarHBondContact O-N 3.37Å; I176-I179 PolarHBondContact O-N 2.85Å; I179-W181 PolarHBondContact O-N 3.12Å; I179-W181 VanDerWaalsContact O-N 3.14Å; I179-L182 WeakPolarHBondContact O-CB 3.4Å; I179-L182 PolarHBondContact O-N 3.09Å; I179-F183 HydrophobicContact CG2-CD2 3.56Å; I179-F183 HydrophobicContact CG2-CE2 3.52Å; I179-F183 VanDerWaalsContact O-CD2 3.28Å; I179-F183 WeakPolarHBondContact O-CD2 3.42Å; I179-F183 PolarHBondContact O-N 3.05Å; I179-L208 HydrophobicContact CD1-CD2 4.47Å; I179-L208 HydrophobicContact CG2-CD1 4.06Å |
| 180 | R | 95.7 | Very high | 92.9 | Very high | 49 Ų | 49 | 55.3 Ų | 55.3 | 19% | 0.185 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.5 | -34.5 | 178.7 | -73.4 | 176.6 | 173.1 | 139.6 | -6.4 | 112.1 | I176 R184 E207 E211 | I176-R180 HydrophobicContact CD1-CG 4.35Å; I176-R180 WeakPolarHBondContact O-CB 3.28Å; I176-R180 WeakPolarHBondContact O-CG 3.32Å; I176-R180 PolarHBondContact O-N 3.07Å; R180-R184 VanDerWaalsContact O-CG 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.41Å; R180-R184 PolarHBondContact O-N 2.77Å; R180-E207 IonicContact NH2-OE2 2.98Å; R180-E211 IonicContact CZ-OE1 3.86Å; R180-E211 IonicContact CZ-OE2 3.27Å; R180-E211 IonicContact NE-OE1 3.37Å; R180-E211 IonicContact NE-OE2 2.62Å; R180-E211 PolarHBondContact NE-OE2 3.49Å; R180-E211 VanDerWaalsContact NH2-CD 3.26Å; R180-E211 IonicContact NH2-OE1 3.04Å; R180-E211 PolarHBondContact NH2-OE1 2.98Å; R180-E211 IonicContact NH2-OE2 3.26Å; R180-E211 PolarHBondContact NH2-OE2 2.85Å |
| 181 | W | 97.8 | Very high | 93.3 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 19% | 0.189 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.3 | -40.1 | 176.1 | -175.5 | 100.5 | 0 | 0 | 0 | 112.9 | I146 A149 K150 K177 D178 I179 R185 | I146-W181 HydrophobicContact CB-CE3 4.37Å; I146-W181 HydrophobicContact CB-CZ3 4.15Å; I146-W181 HydrophobicContact CD1-CE3 4.1Å; I146-W181 HydrophobicContact CG1-CD2 4.48Å; I146-W181 HydrophobicContact CG1-CE3 3.67Å; I146-W181 HydrophobicContact CG1-CZ3 3.85Å; I146-W181 HydrophobicContact CG2-CE3 4.15Å; I146-W181 HydrophobicContact CG2-CH2 4.07Å; I146-W181 HydrophobicContact CG2-CZ2 4.4Å; I146-W181 HydrophobicContact CG2-CZ3 3.93Å; A149-W181 HydrophobicContact CB-CH2 3.96Å; A149-W181 HydrophobicContact CB-CZ3 3.9Å; K150-W181 HydrophobicContact CD-CZ2 4.28Å; K150-W181 HydrophobicContact CG-CH2 3.64Å; K150-W181 HydrophobicContact CG-CZ2 3.6Å; K177-W181 WeakPolarHBondContact O-CB 3.34Å; K177-W181 PolarHBondContact O-N 3Å; D178-W181 WeakPolarHBondContact O-CB 3.43Å; D178-W181 PolarHBondContact O-N 3.41Å; I179-W181 PolarHBondContact O-N 3.12Å; I179-W181 VanDerWaalsContact O-N 3.14Å; W181-R185 VanDerWaalsContact CE2-NH2 3.32Å; W181-R185 PolarHBondContact O-NH1 3.45Å |
| 182 | L | 98.5 | Very high | 94 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.5 | -45.7 | 176 | -71.6 | 166.2 | 0 | 0 | 0 | 111 | M90 T142 L145 I146 L156 D178 I179 R184 R185 M186 | M90-L182 HydrophobicContact SD-CD1 3.61Å; T142-L182 HydrophobicContact CG2-CD1 4.41Å; L145-L182 HydrophobicContact CB-CD1 4.33Å; L145-L182 HydrophobicContact CB-CD2 4.3Å; I146-L182 HydrophobicContact CD1-CG 4.33Å; I146-L182 HydrophobicContact CG1-CD1 4.05Å; I146-L182 HydrophobicContact CG1-CD2 3.75Å; I146-L182 HydrophobicContact CG1-CG 3.75Å; L156-L182 HydrophobicContact CD1-CB 4.32Å; L156-L182 HydrophobicContact CD1-CD2 3.63Å; D178-L182 WeakPolarHBondContact O-CG 3.46Å; D178-L182 PolarHBondContact O-N 3.44Å; I179-L182 WeakPolarHBondContact O-CB 3.4Å; I179-L182 PolarHBondContact O-N 3.09Å; L182-R184 VanDerWaalsContact C-N 3.29Å; L182-R184 PolarHBondContact O-N 3.27Å; L182-R185 WeakPolarHBondContact O-CB 3.46Å; L182-R185 PolarHBondContact O-N 3.27Å; L182-M186 HydrophobicContact CB-CE 4.11Å |
| 183 | F | 97.9 | Very high | 94.9 | Very high | 9 Ų | 9 | 56.9 Ų | 56.9 | 4% | 0.039 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.1 | -37.7 | -178.8 | -90.4 | -104.5 | 0 | 0 | 0 | 113.2 | M90 V162 L164 I179 R185 M186 Q212 | M90-F183 HydrophobicContact CE-CD2 4.36Å; M90-F183 HydrophobicContact CE-CE2 3.62Å; M90-F183 HydrophobicContact CE-CZ 4.32Å; V162-F183 HydrophobicContact CG1-CE1 3.98Å; V162-F183 HydrophobicContact CG1-CZ 4.03Å; V162-F183 HydrophobicContact CG2-CE2 4.26Å; V162-F183 HydrophobicContact CG2-CZ 3.9Å; L164-F183 HydrophobicContact CD1-CE2 4.04Å; L164-F183 HydrophobicContact CD1-CZ 3.9Å; L164-F183 HydrophobicContact CD2-CE2 4.18Å; L164-F183 HydrophobicContact CG-CE2 4.27Å; L164-F183 HydrophobicContact CG-CZ 4.24Å; I179-F183 HydrophobicContact CG2-CD2 3.56Å; I179-F183 HydrophobicContact CG2-CE2 3.52Å; I179-F183 VanDerWaalsContact O-CD2 3.28Å; I179-F183 WeakPolarHBondContact O-CD2 3.42Å; I179-F183 PolarHBondContact O-N 3.05Å; F183-R185 PolarHBondContact O-N 3.03Å; F183-R185 VanDerWaalsContact O-N 3.11Å; F183-M186 PolarHBondContact O-N 3.3Å; F183-Q212 HydrophobicContact CD1-CB 3.58Å; F183-Q212 HydrophobicContact CD1-CG 3.91Å; F183-Q212 VanDerWaalsContact CD1-OE1 3.22Å; F183-Q212 HydrophobicContact CE1-CB 3.55Å; F183-Q212 HydrophobicContact CE1-CG 4.23Å; F183-Q212 HydrophobicContact CG-CB 4.39Å; F183-Q212 HydrophobicContact CG-CG 4.25Å; F183-Q212 HydrophobicContact CZ-CB 4.27Å |
| 184 | R | 97.4 | Very high | 95.8 | Very high | 193 Ų | 193 | 54.2 Ų | 54.2 | 73% | 0.728 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -10.4 | 175.8 | -72.1 | 172.1 | -169.8 | 157.6 | 2.8 | 114.8 | R180 L182 | R180-R184 VanDerWaalsContact O-CG 3.29Å; R180-R184 WeakPolarHBondContact O-CG 3.41Å; R180-R184 PolarHBondContact O-N 2.77Å; L182-R184 VanDerWaalsContact C-N 3.29Å; L182-R184 PolarHBondContact O-N 3.27Å |
| 185 | R | 98.1 | Very high | 96.5 | Very high | 110 Ų | 110 | 52.1 Ų | 52.1 | 42% | 0.415 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.6 | -0.4 | -178.5 | -72.9 | 167.3 | 167.7 | 65.4 | 9.2 | 113.6 | L156 G157 W181 L182 F183 | L156-R185 CarbonylContact C-O 3.54Å; L156-R185 HydrophobicContact CB-CB 4.31Å; L156-R185 HydrophobicContact CD1-CB 4.33Å; G157-R185 PolarHBondContact N-O 3.04Å; W181-R185 VanDerWaalsContact CE2-NH2 3.32Å; W181-R185 PolarHBondContact O-NH1 3.45Å; L182-R185 WeakPolarHBondContact O-CB 3.46Å; L182-R185 PolarHBondContact O-N 3.27Å; F183-R185 PolarHBondContact O-N 3.03Å; F183-R185 VanDerWaalsContact O-N 3.11Å |
| 186 | M | 98 | Very high | 96.9 | Very high | 17 Ų | 17 | 49.7 Ų | 49.7 | 8% | 0.084 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -103.2 | 167.8 | 179.3 | -65.6 | 171.2 | -163.9 | 0 | 0 | 109.9 | L88 M90 L156 I159 V162 L182 F183 R192 | L88-M186 HydrophobicContact CD2-CE 3.34Å; M90-M186 HydrophobicContact CE-CE 4.39Å; L156-M186 HydrophobicContact CB-CG 3.74Å; L156-M186 HydrophobicContact CD1-CE 3.99Å; L156-M186 HydrophobicContact CD1-CG 4.33Å; L156-M186 WeakPolarHBondContact O-CA 3.45Å; I159-M186 HydrophobicContact CB-CB 4.38Å; I159-M186 HydrophobicContact CB-CG 4.1Å; I159-M186 HydrophobicContact CG1-CG 4.05Å; I159-M186 HydrophobicContact CG2-CG 4.36Å; I159-M186 HydrophobicContact CG2-SD 4.14Å; V162-M186 HydrophobicContact CB-SD 4.37Å; V162-M186 HydrophobicContact CG2-CE 4.15Å; V162-M186 HydrophobicContact CG2-SD 4.16Å; L182-M186 HydrophobicContact CB-CE 4.11Å; F183-M186 PolarHBondContact O-N 3.3Å; M186-R192 PolarHBondContact SD-NH1 3.28Å |
| 187 | P | 97.7 | Very high | 97.2 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 16% | 0.156 | 22% | 0.224 | C | C | . | . | P | Polyproline II helix | trans | -52.5 | 151.9 | 167.2 | -28.2 | 38.4 | 0 | 0 | 0 | 112.1 | L156 G157 I159 Q191 R192 | L156-P187 WeakPolarHBondContact O-CD 3.45Å; G157-P187 WeakPolarHBondContact O-CG 3.47Å; I159-P187 WeakPolarHBondContact O-CG 3.45Å; P187-Q191 HydrophobicContact CB-CB 4.22Å; P187-R192 PolarHBondContact O-NH1 3.43Å |
| 188 | P | 97.3 | Very high | 97.1 | Very high | 66 Ų | 66 | 40.7 Ų | 40.7 | 43% | 0.429 | 19% | 0.19 | S | C | . | . | P | Polyproline II helix | trans | -58.4 | 154.7 | 177.8 | 27.4 | -36.1 | 0 | 0 | 0 | 111.4 | N190 Q191 | P188-N190 WeakPolarHBondContact CB-OD1 3.45Å; P188-N190 PolarHBondContact O-N 3.05Å; P188-N190 VanDerWaalsContact O-N 3.08Å; P188-Q191 HydrophobicContact CG-CB 4.23Å; P188-Q191 VanDerWaalsContact CG-CD 3.44Å; P188-Q191 HydrophobicContact CG-CG 3.83Å; P188-Q191 PolarHBondContact O-N 2.89Å |
| 189 | A | 96.9 | Very high | 96.6 | Very high | 22 Ų | 22 | 39 Ų | 39 | 18% | 0.182 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -53.8 | -35.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q191 R192 N194 Q212 N214 | A189-Q191 PolarHBondContact O-N 3.49Å; A189-R192 PolarHBondContact O-N 2.89Å; A189-N194 PolarHBondContact O-ND2 3.18Å; A189-Q212 WeakPolarHBondContact CB-O 3.21Å; A189-N214 HydrophobicContact CB-CB 4.26Å |
| 190 | N | 96.7 | Very high | 95.8 | Very high | 108 Ų | 108 | 40.3 Ų | 40.3 | 58% | 0.578 | 19% | 0.191 | S | C | * | . | G | 310 helix | trans | -76.3 | 1.7 | 179.6 | 68.5 | -29.5 | 0 | 0 | 0 | 115.2 | P188 N214 | P188-N190 WeakPolarHBondContact CB-OD1 3.45Å; P188-N190 PolarHBondContact O-N 3.05Å; P188-N190 VanDerWaalsContact O-N 3.08Å; N190-N214 HydrophobicContact CB-CB 4.37Å |
| 191 | Q | 96.7 | Very high | 95.3 | Very high | 129 Ų | 129 | 38.4 Ų | 38.4 | 60% | 0.603 | 19% | 0.185 | S | C | * | . | G | 310 helix | trans | -113.9 | 7.1 | 178 | -67.2 | -179.9 | 3.2 | 0 | 0 | 113 | P187 P188 A189 | P187-Q191 HydrophobicContact CB-CB 4.22Å; P188-Q191 HydrophobicContact CG-CB 4.23Å; P188-Q191 VanDerWaalsContact CG-CD 3.44Å; P188-Q191 HydrophobicContact CG-CG 3.83Å; P188-Q191 PolarHBondContact O-N 2.89Å; A189-Q191 PolarHBondContact O-N 3.49Å |
| 192 | R | 97.6 | Very high | 94.6 | Very high | 14 Ų | 14 | 38.3 Ų | 38.3 | 5% | 0.053 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -147.3 | 157.4 | -177.4 | 62.3 | -178.3 | -171.5 | -150.9 | -11.9 | 109.8 | Q160 M186 P187 A189 N194 Q212 | Q160-R192 CarbonylContact O-C 3.55Å; Q160-R192 WeakPolarHBondContact O-CA 3.46Å; Q160-R192 WeakPolarHBondContact O-CB 3.37Å; M186-R192 PolarHBondContact SD-NH1 3.28Å; P187-R192 PolarHBondContact O-NH1 3.43Å; A189-R192 PolarHBondContact O-N 2.89Å; R192-N194 PolarHBondContact NE-OD1 3.06Å; R192-N194 PolarHBondContact NH2-OD1 3.37Å; R192-N194 PolarHBondContact O-ND2 3.21Å; R192-N194 VanDerWaalsContact O-ND2 3.14Å; R192-Q212 PolarHBondContact NH2-O 3.01Å |
| 193 | L | 98.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 124.6 | 169.2 | 176.1 | 63.5 | 0 | 0 | 0 | 109.4 | R47 Y70 Q160 V161 V162 M195 | R47-L193 VanDerWaalsContact O-CD1 3.25Å; R47-L193 WeakPolarHBondContact O-CD1 3.3Å; Y70-L193 HydrophobicContact CD2-CB 4.01Å; Y70-L193 HydrophobicContact CD2-CD2 3.77Å; Y70-L193 HydrophobicContact CD2-CG 4.49Å; Y70-L193 HydrophobicContact CE2-CB 3.85Å; Y70-L193 HydrophobicContact CE2-CD2 4.39Å; Y70-L193 HydrophobicContact CG-CB 4.49Å; Y70-L193 HydrophobicContact CG-CD2 4.18Å; Q160-L193 PolarHBondContact O-N 3.11Å; V161-L193 CarbonylContact C-O 3.58Å; V161-L193 VanDerWaalsContact CA-O 3.31Å; V161-L193 WeakPolarHBondContact CA-O 3.35Å; V161-L193 HydrophobicContact CG1-CB 4.38Å; V161-L193 HydrophobicContact CG1-CD2 4.32Å; V161-L193 HydrophobicContact CG1-CG 4.43Å; V161-L193 HydrophobicContact CG2-CB 4.33Å; V162-L193 PolarHBondContact N-O 3.48Å; L193-M195 HydrophobicContact CD2-CE 3.94Å; L193-M195 HydrophobicContact CD2-SD 4.3Å; L193-M195 HydrophobicContact CG-CE 4.31Å; L193-M195 HydrophobicContact CG-CG 4.32Å |
| 194 | N | 98.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.4 | 176.7 | -46.6 | -92.8 | 0 | 0 | 0 | 109.3 | D48 V49 V162 A189 R192 M213 | D48-N194 VanDerWaalsContact CA-O 3.28Å; D48-N194 WeakPolarHBondContact CA-O 3.17Å; D48-N194 WeakPolarHBondContact CB-O 3.4Å; D48-N194 PolarHBondContact OD1-N 2.91Å; D48-N194 PolarHBondContact OD1-ND2 2.69Å; D48-N194 VanDerWaalsContact OD2-CB 3.32Å; D48-N194 WeakPolarHBondContact OD2-CB 3.46Å; D48-N194 PolarHBondContact OD2-ND2 3.15Å; V49-N194 PolarHBondContact N-O 3.39Å; V162-N194 HydrophobicContact CG1-CB 4.05Å; V162-N194 WeakPolarHBondContact CG1-OD1 3.4Å; A189-N194 PolarHBondContact O-ND2 3.18Å; R192-N194 PolarHBondContact NE-OD1 3.06Å; R192-N194 PolarHBondContact NH2-OD1 3.37Å; R192-N194 PolarHBondContact O-ND2 3.21Å; R192-N194 VanDerWaalsContact O-ND2 3.14Å; N194-M213 HydrophobicContact CB-CB 4.12Å; N194-M213 HydrophobicContact CB-CE 3.96Å; N194-M213 HydrophobicContact CB-CG 3.8Å; N194-M213 WeakPolarHBondContact O-CE 3.33Å |
| 195 | M | 98.8 | Very high | 93.1 | Very high | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 133.9 | 176.7 | -69.6 | 177.7 | -76.9 | 0 | 0 | 109.8 | T43 V49 F63 T67 V161 V162 V163 L164 L193 F197 | T43-M195 HydrophobicContact CG2-CG 4.03Å; T43-M195 HydrophobicContact CG2-SD 3.78Å; V49-M195 WeakPolarHBondContact O-CA 3.44Å; F63-M195 HydrophobicContact CB-CE 4.24Å; F63-M195 HydrophobicContact CB-SD 3.94Å; T67-M195 WeakPolarHBondContact OG1-CE 3.09Å; V161-M195 HydrophobicContact CG1-CE 3.45Å; V161-M195 VanDerWaalsContact CG1-CE 3.45Å; V162-M195 PolarHBondContact O-N 3.35Å; V163-M195 CarbonylContact C-O 3.37Å; V163-M195 VanDerWaalsContact CA-O 3.27Å; V163-M195 WeakPolarHBondContact CA-O 3.4Å; V163-M195 HydrophobicContact CG1-CB 4.46Å; V163-M195 HydrophobicContact CG2-CB 4.25Å; V163-M195 HydrophobicContact CG2-CE 3.56Å; L164-M195 PolarHBondContact N-O 3.13Å; L193-M195 HydrophobicContact CD2-CE 3.94Å; L193-M195 HydrophobicContact CD2-SD 4.3Å; L193-M195 HydrophobicContact CG-CE 4.31Å; L193-M195 HydrophobicContact CG-CG 4.32Å; M195-F197 HydrophobicContact CB-CD2 4.34Å; M195-F197 HydrophobicContact CB-CE2 3.91Å; M195-F197 HydrophobicContact CG-CE2 4.41Å; M195-F197 HydrophobicContact SD-CE2 4.38Å |
| 196 | L | 98.2 | Very high | 92.8 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 129.7 | 174.5 | -178.2 | 152.3 | 0 | 0 | 0 | 108.3 | V49 A50 G51 L164 A167 L201 V205 L208 A209 M213 | V49-L196 PolarHBondContact O-N 3.36Å; A50-L196 CarbonylContact C-O 3.57Å; A50-L196 WeakPolarHBondContact CA-O 3.11Å; A50-L196 HydrophobicContact CB-CD2 4.5Å; G51-L196 PolarHBondContact N-O 3.43Å; L164-L196 HydrophobicContact CB-CB 4.5Å; L164-L196 HydrophobicContact CB-CG 4.26Å; L164-L196 HydrophobicContact CD1-CD1 4.02Å; L164-L196 WeakPolarHBondContact O-CA 3.31Å; A167-L196 HydrophobicContact CB-CD1 3.73Å; A167-L196 HydrophobicContact CB-CD2 3.85Å; A167-L196 HydrophobicContact CB-CG 3.68Å; L196-L201 HydrophobicContact CD2-CD2 3.9Å; L196-V205 HydrophobicContact CD1-CG1 4.09Å; L196-V205 HydrophobicContact CD2-CG1 3.57Å; L196-V205 HydrophobicContact CG-CG1 4.46Å; L196-L208 HydrophobicContact CD1-CD2 4.19Å; L196-L208 HydrophobicContact CD1-CG 4.35Å; L196-A209 HydrophobicContact CD1-CB 4.37Å; L196-M213 HydrophobicContact CB-CE 4.41Å; L196-M213 HydrophobicContact CB-SD 3.93Å |
| 197 | F | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 131.2 | 178.5 | -76.5 | -81.6 | 0 | 0 | 0 | 109.8 | I35 A39 V49 G51 K59 A62 F63 L164 E166 A167 M195 | I35-F197 HydrophobicContact CD1-CE1 4.28Å; I35-F197 HydrophobicContact CG1-CE1 4.07Å; A39-F197 HydrophobicContact CB-CE1 4.49Å; A39-F197 HydrophobicContact CB-CZ 4.24Å; V49-F197 HydrophobicContact CG1-CZ 4.36Å; G51-F197 WeakPolarHBondContact O-CA 3.08Å; K59-F197 HydrophobicContact CB-CB 4.42Å; K59-F197 HydrophobicContact CB-CD1 4.05Å; K59-F197 HydrophobicContact CB-CG 4.37Å; K59-F197 HydrophobicContact CD-CB 4.17Å; K59-F197 HydrophobicContact CD-CD1 4.17Å; K59-F197 HydrophobicContact CG-CD1 4.02Å; A62-F197 HydrophobicContact CB-CE1 4.5Å; A62-F197 HydrophobicContact CB-CZ 4.28Å; F63-F197 HydrophobicContact CB-CD2 3.99Å; F63-F197 HydrophobicContact CB-CE2 3.64Å; F63-F197 AromaticContact CD1-CD2 3.75Å; F63-F197 HydrophobicContact CD1-CD2 3.75Å; F63-F197 HydrophobicContact CD1-CE2 4.19Å; F63-F197 HydrophobicContact CD1-CG 4.29Å; F63-F197 HydrophobicContact CG-CD2 4.35Å; F63-F197 HydrophobicContact CG-CE2 4.44Å; L164-F197 PolarHBondContact O-N 3.17Å; E166-F197 PolarHBondContact N-O 3.21Å; A167-F197 PolarHBondContact N-O 2.85Å; M195-F197 HydrophobicContact CB-CD2 4.34Å; M195-F197 HydrophobicContact CB-CE2 3.91Å; M195-F197 HydrophobicContact CG-CE2 4.41Å; M195-F197 HydrophobicContact SD-CE2 4.38Å |
| 198 | S | 90.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 157.2 | -171.3 | -156.9 | 0 | 0 | 0 | 0 | 111 | G51 Q52 A53 K59 D168 T200 | G51-S198 PolarHBondContact O-N 2.89Å; Q52-S198 WeakPolarHBondContact CA-O 3.4Å; A53-S198 PolarHBondContact N-O 3.12Å; A53-S198 VanDerWaalsContact O-O 3.09Å; K59-S198 PolarHBondContact NZ-O 2.98Å; D168-S198 WeakPolarHBondContact CB-OG 3.36Å; D168-S198 PolarHBondContact N-OG 3.27Å; D168-S198 VanDerWaalsContact N-OG 3.14Å; D168-S198 PolarHBondContact OD1-OG 3.1Å; D168-S198 PolarHBondContact OD2-OG 2.72Å; S198-T200 VanDerWaalsContact C-N 3.35Å; S198-T200 WeakPolarHBondContact CB-O 3.47Å; S198-T200 PolarHBondContact OG-O 2.83Å |
| 199 | A | 83.8 | Confident | 92.1 | Very high | 21 Ų | 21 | 43.3 Ų | 43.3 | 17% | 0.174 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -74.9 | -35.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q52 D168 | Q52-A199 WeakPolarHBondContact CG-O 3.42Å; D168-A199 PolarHBondContact OD2-N 3.43Å |
| 200 | T | 80.2 | Confident | 91.9 | Very high | 28 Ų | 28 | 50.4 Ų | 50.4 | 17% | 0.172 | 23% | 0.229 | C | C | . | . | trans | -127.3 | 144.6 | 174.4 | 71.3 | 0 | 0 | 0 | 0 | 111.4 | D168 S198 | D168-T200 PolarHBondContact OD2-N 3.02Å; D168-T200 PolarHBondContact OD2-OG1 2.92Å; S198-T200 VanDerWaalsContact C-N 3.35Å; S198-T200 WeakPolarHBondContact CB-O 3.47Å; S198-T200 PolarHBondContact OG-O 2.83Å | ||
| 201 | L | 85.6 | Confident | 91.7 | Very high | 9 Ų | 9 | 49 Ų | 49 | 5% | 0.047 | 22% | 0.22 | C | C | . | . | trans | -101.7 | 60.1 | 166.8 | -67.5 | 174.3 | 0 | 0 | 0 | 109.2 | A50 Q52 L196 V205 R206 Y218 E220 | A50-L201 HydrophobicContact CB-CD2 4.41Å; Q52-L201 HydrophobicContact CB-CD1 3.75Å; Q52-L201 HydrophobicContact CB-CG 3.79Å; Q52-L201 HydrophobicContact CG-CG 4.26Å; L196-L201 HydrophobicContact CD2-CD2 3.9Å; L201-V205 HydrophobicContact CD2-CG1 3.77Å; L201-R206 HydrophobicContact CB-CG 4.07Å; L201-R206 WeakPolarHBondContact O-CD 3.49Å; L201-R206 WeakPolarHBondContact O-CG 3.5Å; L201-R206 PolarHBondContact O-NE 3.08Å; L201-Y218 HydrophobicContact CD1-CD1 4.04Å; L201-E220 HydrophobicContact CD1-CG 3.94Å | ||
| 202 | S | 83.8 | Confident | 91.6 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 34% | 0.343 | 20% | 0.198 | S | C | . | . | trans | -54.7 | 161.5 | 172.9 | 72.8 | 0 | 0 | 0 | 0 | 111.2 | R204 V205 R206 | S202-R204 PolarHBondContact O-N 2.96Å; S202-V205 PolarHBondContact O-N 3.13Å; S202-R206 PolarHBondContact O-N 3.1Å | ||
| 203 | Y | 83.4 | Confident | 91.6 | Very high | 184 Ų | 184 | 44.6 Ų | 44.6 | 72% | 0.722 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -48.2 | -40.7 | 178.3 | 175.5 | -92.3 | 0 | 0 | 0 | 112.5 | R206 E207 | Y203-R206 PolarHBondContact O-N 3.38Å; Y203-E207 WeakPolarHBondContact O-CB 3.44Å; Y203-E207 PolarHBondContact O-N 3.39Å |
| 204 | R | 87.2 | Confident | 91.5 | Very high | 158 Ų | 158 | 48.5 Ų | 48.5 | 60% | 0.596 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -67.7 | -42.2 | 179.1 | -66 | 178.9 | 179.8 | 165.3 | 1.6 | 112.5 | Y171 S202 R206 E207 L208 | Y171-R204 HydrophobicContact CD1-CB 4.08Å; Y171-R204 HydrophobicContact CD2-CB 4.46Å; Y171-R204 HydrophobicContact CE1-CB 3.88Å; Y171-R204 HydrophobicContact CE2-CB 4.3Å; Y171-R204 VanDerWaalsContact CE2-O 3.26Å; Y171-R204 WeakPolarHBondContact CE2-O 3.49Å; Y171-R204 HydrophobicContact CG-CB 4.35Å; Y171-R204 VanDerWaalsContact CZ-O 3.22Å; Y171-R204 PolarHBondContact OH-O 3.19Å; S202-R204 PolarHBondContact O-N 2.96Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R204-E207 WeakPolarHBondContact O-CB 3.49Å; R204-E207 PolarHBondContact O-N 3.43Å; R204-L208 PolarHBondContact O-N 3.07Å |
| 205 | V | 90.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 176.7 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | A167 D168 Y171 L196 L201 S202 L208 A209 | A167-V205 HydrophobicContact CB-CG1 4.03Å; D168-V205 VanDerWaalsContact CA-CG2 3.49Å; D168-V205 HydrophobicContact CB-CG2 3.88Å; Y171-V205 HydrophobicContact CD2-CG2 4.22Å; L196-V205 HydrophobicContact CD1-CG1 4.09Å; L196-V205 HydrophobicContact CD2-CG1 3.57Å; L196-V205 HydrophobicContact CG-CG1 4.46Å; L201-V205 HydrophobicContact CD2-CG1 3.77Å; S202-V205 PolarHBondContact O-N 3.13Å; V205-L208 PolarHBondContact O-N 3.46Å; V205-A209 PolarHBondContact O-N 3.43Å |
| 206 | R | 92.1 | Very high | 91.2 | Very high | 110 Ų | 110 | 55.5 Ų | 55.5 | 42% | 0.415 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 174.1 | -70.3 | -177.8 | 172.7 | -162.2 | -0.8 | 112.2 | L201 S202 Y203 R204 A209 F210 Y218 E220 | L201-R206 HydrophobicContact CB-CG 4.07Å; L201-R206 WeakPolarHBondContact O-CD 3.49Å; L201-R206 WeakPolarHBondContact O-CG 3.5Å; L201-R206 PolarHBondContact O-NE 3.08Å; S202-R206 PolarHBondContact O-N 3.1Å; Y203-R206 PolarHBondContact O-N 3.38Å; R204-R206 VanDerWaalsContact C-N 3.34Å; R206-A209 PolarHBondContact O-N 3.26Å; R206-F210 WeakPolarHBondContact O-CB 3.33Å; R206-F210 PolarHBondContact O-N 3.47Å; R206-Y218 HydrophobicContact CB-CE1 4.43Å; R206-Y218 HydrophobicContact CG-CE1 4Å; R206-Y218 PolarHBondContact O-OH 2.86Å; R206-E220 IonicContact CZ-OE1 3.44Å; R206-E220 IonicContact NH2-OE1 2.97Å; R206-E220 PolarHBondContact NH2-OE1 2.9Å |
| 207 | E | 90.9 | Very high | 91.2 | Very high | 70 Ų | 70 | 58.8 Ų | 58.8 | 33% | 0.327 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59 | -47 | 172.9 | 179.5 | -171.4 | -134.6 | 0 | 0 | 111.1 | R180 Y203 R204 A209 F210 E211 | R180-E207 IonicContact NH2-OE2 2.98Å; Y203-E207 WeakPolarHBondContact O-CB 3.44Å; Y203-E207 PolarHBondContact O-N 3.39Å; R204-E207 WeakPolarHBondContact O-CB 3.49Å; R204-E207 PolarHBondContact O-N 3.43Å; E207-A209 PolarHBondContact O-N 3.17Å; E207-F210 PolarHBondContact O-N 2.96Å; E207-E211 WeakPolarHBondContact O-CG 3.25Å; E207-E211 PolarHBondContact O-N 3.34Å |
| 208 | L | 92.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.9 | -44.7 | 175.8 | 175.3 | 62.1 | 0 | 0 | 0 | 112.4 | L164 Y171 I176 I179 L196 R204 V205 E211 Q212 | L164-L208 HydrophobicContact CD1-CD2 3.78Å; L164-L208 HydrophobicContact CD1-CG 4.26Å; Y171-L208 HydrophobicContact CD2-CD2 4.38Å; Y171-L208 HydrophobicContact CE2-CB 3.62Å; Y171-L208 HydrophobicContact CE2-CD2 3.72Å; Y171-L208 HydrophobicContact CE2-CG 4.28Å; Y171-L208 WeakPolarHBondContact OH-CB 3.46Å; I176-L208 HydrophobicContact CD1-CB 4.43Å; I176-L208 HydrophobicContact CD1-CD1 3.68Å; I176-L208 HydrophobicContact CD1-CD2 4.11Å; I176-L208 HydrophobicContact CD1-CG 4.3Å; I179-L208 HydrophobicContact CD1-CD2 4.47Å; I179-L208 HydrophobicContact CG2-CD1 4.06Å; L196-L208 HydrophobicContact CD1-CD2 4.19Å; L196-L208 HydrophobicContact CD1-CG 4.35Å; R204-L208 PolarHBondContact O-N 3.07Å; V205-L208 PolarHBondContact O-N 3.46Å; L208-E211 PolarHBondContact O-N 2.88Å; L208-Q212 HydrophobicContact CD1-CB 4.38Å; L208-Q212 HydrophobicContact CD1-CG 3.52Å; L208-Q212 WeakPolarHBondContact O-CB 3.39Å; L208-Q212 WeakPolarHBondContact O-CG 3.46Å; L208-Q212 PolarHBondContact O-N 3.18Å |
| 209 | A | 94.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A50 L196 V205 R206 E207 E211 Q212 M213 Y218 | A50-A209 HydrophobicContact CB-CB 4.15Å; L196-A209 HydrophobicContact CD1-CB 4.37Å; V205-A209 PolarHBondContact O-N 3.43Å; R206-A209 PolarHBondContact O-N 3.26Å; E207-A209 PolarHBondContact O-N 3.17Å; A209-E211 VanDerWaalsContact C-N 3.33Å; A209-E211 PolarHBondContact O-N 3.22Å; A209-Q212 PolarHBondContact O-N 2.95Å; A209-M213 HydrophobicContact CB-SD 3.7Å; A209-M213 WeakPolarHBondContact O-CB 3.36Å; A209-M213 VanDerWaalsContact O-CG 3.3Å; A209-M213 WeakPolarHBondContact O-CG 3.13Å; A209-M213 PolarHBondContact O-N 3Å; A209-Y218 HydrophobicContact CB-CE1 4.24Å |
| 210 | F | 93.8 | Very high | 91.7 | Very high | 170 Ų | 170 | 66.5 Ų | 66.5 | 75% | 0.746 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 178.1 | 179.2 | -97.9 | 0 | 0 | 0 | 112.7 | R206 E207 | R206-F210 WeakPolarHBondContact O-CB 3.33Å; R206-F210 PolarHBondContact O-N 3.47Å; E207-F210 PolarHBondContact O-N 2.96Å |
| 211 | E | 93 | Very high | 92 | Very high | 80 Ų | 80 | 66.7 Ų | 66.7 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -72.6 | -34.2 | -179.8 | -75.5 | -179.8 | -170.7 | 0 | 0 | 114 | R180 E207 L208 A209 | R180-E211 IonicContact CZ-OE1 3.86Å; R180-E211 IonicContact CZ-OE2 3.27Å; R180-E211 IonicContact NE-OE1 3.37Å; R180-E211 IonicContact NE-OE2 2.62Å; R180-E211 PolarHBondContact NE-OE2 3.49Å; R180-E211 VanDerWaalsContact NH2-CD 3.26Å; R180-E211 IonicContact NH2-OE1 3.04Å; R180-E211 PolarHBondContact NH2-OE1 2.98Å; R180-E211 IonicContact NH2-OE2 3.26Å; R180-E211 PolarHBondContact NH2-OE2 2.85Å; E207-E211 WeakPolarHBondContact O-CG 3.25Å; E207-E211 PolarHBondContact O-N 3.34Å; L208-E211 PolarHBondContact O-N 2.88Å; A209-E211 VanDerWaalsContact C-N 3.33Å; A209-E211 PolarHBondContact O-N 3.22Å |
| 212 | Q | 94.7 | Very high | 91.2 | Very high | 30 Ų | 30 | 73.5 Ų | 73.5 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -114.3 | -8.7 | -162.4 | -59.7 | -53.4 | -37.7 | 0 | 0 | 114.8 | F183 A189 R192 L208 A209 | F183-Q212 HydrophobicContact CD1-CB 3.58Å; F183-Q212 HydrophobicContact CD1-CG 3.91Å; F183-Q212 VanDerWaalsContact CD1-OE1 3.22Å; F183-Q212 HydrophobicContact CE1-CB 3.55Å; F183-Q212 HydrophobicContact CE1-CG 4.23Å; F183-Q212 HydrophobicContact CG-CB 4.39Å; F183-Q212 HydrophobicContact CG-CG 4.25Å; F183-Q212 HydrophobicContact CZ-CB 4.27Å; A189-Q212 WeakPolarHBondContact CB-O 3.21Å; R192-Q212 PolarHBondContact NH2-O 3.01Å; L208-Q212 HydrophobicContact CD1-CB 4.38Å; L208-Q212 HydrophobicContact CD1-CG 3.52Å; L208-Q212 WeakPolarHBondContact O-CB 3.39Å; L208-Q212 WeakPolarHBondContact O-CG 3.46Å; L208-Q212 PolarHBondContact O-N 3.18Å; A209-Q212 PolarHBondContact O-N 2.95Å |
| 213 | M | 97.5 | Very high | 90.1 | Very high | 19 Ų | 19 | 73.6 Ų | 73.6 | 9% | 0.094 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -116.8 | 161 | -176.9 | -50.5 | 178.3 | 68.5 | 0 | 0 | 111 | D48 V49 A50 N194 L196 A209 A216 | D48-M213 HydrophobicContact CB-CB 4.36Å; D48-M213 HydrophobicContact CB-CE 3.84Å; V49-M213 VanDerWaalsContact C-CE 3.48Å; V49-M213 WeakPolarHBondContact O-CE 3.3Å; A50-M213 HydrophobicContact CB-SD 4.46Å; N194-M213 HydrophobicContact CB-CB 4.12Å; N194-M213 HydrophobicContact CB-CE 3.96Å; N194-M213 HydrophobicContact CB-CG 3.8Å; N194-M213 WeakPolarHBondContact O-CE 3.33Å; L196-M213 HydrophobicContact CB-CE 4.41Å; L196-M213 HydrophobicContact CB-SD 3.93Å; A209-M213 HydrophobicContact CB-SD 3.7Å; A209-M213 WeakPolarHBondContact O-CB 3.36Å; A209-M213 VanDerWaalsContact O-CG 3.3Å; A209-M213 WeakPolarHBondContact O-CG 3.13Å; A209-M213 PolarHBondContact O-N 3Å; M213-A216 HydrophobicContact CB-CB 3.9Å; M213-A216 HydrophobicContact CE-CB 3.69Å; M213-A216 HydrophobicContact SD-CB 3.95Å |
| 214 | N | 96.8 | Very high | 88.8 | Confident | 82 Ų | 82 | 73.4 Ų | 73.4 | 44% | 0.439 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -103.4 | 95.6 | -178.5 | 177.3 | 52.3 | 0 | 0 | 0 | 110.8 | D48 A189 N190 A216 | D48-N214 PolarHBondContact OD2-N 3Å; A189-N214 HydrophobicContact CB-CB 4.26Å; N190-N214 HydrophobicContact CB-CB 4.37Å; N214-A216 VanDerWaalsContact C-N 3.35Å; N214-A216 PolarHBondContact O-N 2.83Å |
| 215 | N | 94.4 | Very high | 87.4 | Confident | 138 Ų | 138 | 70.2 Ų | 70.2 | 74% | 0.738 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 48.6 | 54.9 | -180 | -169 | 62.5 | 0 | 0 | 0 | 112.2 | ||
| 216 | A | 96.9 | Very high | 86.1 | Confident | 14 Ų | 14 | 74.8 Ų | 74.8 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -63.6 | 136.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D48 M213 N214 | D48-A216 HydrophobicContact CB-CB 3.96Å; D48-A216 WeakPolarHBondContact O-CA 3.42Å; M213-A216 HydrophobicContact CB-CB 3.9Å; M213-A216 HydrophobicContact CE-CB 3.69Å; M213-A216 HydrophobicContact SD-CB 3.95Å; N214-A216 VanDerWaalsContact C-N 3.35Å; N214-A216 PolarHBondContact O-N 2.83Å |
| 217 | E | 97.8 | Very high | 84.6 | Confident | 71 Ų | 71 | 70 Ų | 70 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 128.8 | 168.9 | -65.5 | -68.8 | 177.7 | 0 | 0 | 109.2 | L42 R47 D48 V49 A50 | L42-E217 HydrophobicContact CD1-CB 3.78Å; L42-E217 HydrophobicContact CD1-CG 4.07Å; L42-E217 HydrophobicContact CD2-CG 4.19Å; R47-E217 IonicContact NH1-OE1 3.35Å; D48-E217 PolarHBondContact O-N 3.32Å; V49-E217 WeakPolarHBondContact CA-O 3.29Å; A50-E217 PolarHBondContact N-O 3.09Å |
| 218 | Y | 96.6 | Very high | 83.2 | Confident | 95 Ų | 95 | 68.4 Ų | 68.4 | 37% | 0.373 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 118.6 | 177.4 | -69.5 | -91.2 | 0 | 0 | 0 | 109.1 | A50 L201 R206 A209 | A50-Y218 HydrophobicContact CB-CD1 3.73Å; A50-Y218 HydrophobicContact CB-CE1 3.81Å; A50-Y218 HydrophobicContact CB-CG 4.44Å; A50-Y218 WeakPolarHBondContact O-CA 3.48Å; L201-Y218 HydrophobicContact CD1-CD1 4.04Å; R206-Y218 HydrophobicContact CB-CE1 4.43Å; R206-Y218 HydrophobicContact CG-CE1 4Å; R206-Y218 PolarHBondContact O-OH 2.86Å; A209-Y218 HydrophobicContact CB-CE1 4.24Å |
| 219 | I | 94.3 | Very high | 81.9 | Confident | 12 Ų | 12 | 74.4 Ų | 74.4 | 6% | 0.062 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 117.3 | -179.2 | -55.2 | 176.7 | 0 | 0 | 0 | 107.6 | I35 L38 A39 L42 V49 A50 G51 Q52 | I35-I219 HydrophobicContact CD1-CG2 3.95Å; L38-I219 HydrophobicContact CB-CD1 4.32Å; L38-I219 HydrophobicContact CB-CG2 3.54Å; L38-I219 HydrophobicContact CD1-CG2 3.73Å; L38-I219 HydrophobicContact CG-CG2 4.26Å; A39-I219 VanDerWaalsContact CA-CD1 3.48Å; A39-I219 HydrophobicContact CB-CD1 3.96Å; L42-I219 HydrophobicContact CD1-CD1 3.63Å; L42-I219 HydrophobicContact CD1-CG1 4.13Å; V49-I219 HydrophobicContact CB-CD1 4.41Å; V49-I219 HydrophobicContact CG1-CD1 3.49Å; V49-I219 VanDerWaalsContact CG1-CD1 3.49Å; V49-I219 HydrophobicContact CG1-CG1 4.06Å; V49-I219 HydrophobicContact CG2-CD1 3.98Å; A50-I219 PolarHBondContact O-N 2.9Å; G51-I219 CarbonylContact C-O 3.56Å; G51-I219 WeakPolarHBondContact CA-O 3.08Å; Q52-I219 PolarHBondContact N-O 3.48Å |
| 220 | E | 90.7 | Very high | 81.1 | Confident | 75 Ų | 75 | 80.1 Ų | 80.1 | 35% | 0.35 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 114.2 | 179.3 | -64.9 | -176.2 | -170.5 | 0 | 0 | 109.5 | Q52 L201 R206 | Q52-E220 HydrophobicContact CB-CB 4.41Å; Q52-E220 HydrophobicContact CB-CG 4.02Å; L201-E220 HydrophobicContact CD1-CG 3.94Å; R206-E220 IonicContact CZ-OE1 3.44Å; R206-E220 IonicContact NH2-OE1 2.97Å; R206-E220 PolarHBondContact NH2-OE1 2.9Å |
| 221 | V | 84.8 | Confident | 80.8 | Confident | 32 Ų | 32 | 72.9 Ų | 72.9 | 19% | 0.194 | 36% | 0.358 | C | S | . | . | trans | -98 | 94.1 | 167.1 | -179.5 | 0 | 0 | 0 | 0 | 106.4 | P34 I35 L38 Q52 A53 | P34-V221 HydrophobicContact CB-CG1 4.04Å; P34-V221 HydrophobicContact CB-CG2 4.27Å; I35-V221 HydrophobicContact CB-CG2 3.97Å; I35-V221 HydrophobicContact CD1-CG2 3.98Å; L38-V221 HydrophobicContact CD1-CG2 3.81Å; Q52-V221 PolarHBondContact O-N 3.05Å; A53-V221 HydrophobicContact CB-CB 4.25Å | ||
| 222 | E | 69.1 | Low | 80.8 | Confident | 152 Ų | 152 | 74.4 Ų | 74.4 | 71% | 0.71 | 36% | 0.363 | S | S | * | . | trans | -63.4 | 133.5 | 173.4 | -68.1 | -164.4 | 158 | 0 | 0 | 109.5 | ||||
| 223 | P | 60.5 | Low | 80.8 | Confident | 51 Ų | 51 | 73.8 Ų | 73.8 | 33% | 0.331 | 36% | 0.36 | S | S | . | . | trans | -71.8 | 142.7 | 167.9 | 34.5 | -35.2 | 0 | 0 | 0 | 108.8 | Q54 Q225 | Q54-P223 HydrophobicContact CG-CB 4.22Å; Q54-P223 HydrophobicContact CG-CG 4.32Å; Q54-P223 VanDerWaalsContact NE2-CB 3.26Å; Q54-P223 VanDerWaalsContact NE2-CG 3.3Å; P223-Q225 WeakPolarHBondContact CB-O 3.49Å; P223-Q225 PolarHBondContact O-N 3.45Å; P223-Q225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | E | 57.2 | Low | 80.8 | Confident | 180 Ų | 180 | 73.9 Ų | 73.9 | 84% | 0.841 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -55.5 | -30.3 | 173.2 | -76.6 | 178.3 | 154.6 | 0 | 0 | 111.6 | ||
| 225 | Q | 57.7 | Low | 80.8 | Confident | 92 Ų | 92 | 70 Ų | 70 | 43% | 0.43 | 34% | 0.339 | S | S | . | . | trans | -147.3 | 149.7 | 172.3 | -70.5 | -167 | -20.1 | 0 | 0 | 111.8 | P223 T227 H229 | P223-Q225 WeakPolarHBondContact CB-O 3.49Å; P223-Q225 PolarHBondContact O-N 3.45Å; P223-Q225 VanDerWaalsContact O-N 3.12Å; Q225-T227 VanDerWaalsContact C-N 3.31Å; Q225-T227 CarbonylContact C-O 3.53Å; Q225-T227 WeakPolarHBondContact CB-O 3.45Å; Q225-T227 PolarHBondContact O-N 3.28Å; Q225-H229 VanDerWaalsContact CD-ND1 3.3Å; Q225-H229 PolarHBondContact NE2-CE1 3.11Å; Q225-H229 PolarHBondContact OE1-CE1 3.25Å; Q225-H229 PolarHBondContact OE1-ND1 3.24Å | ||
| 226 | K | 62 | Low | 81 | Confident | 95 Ų | 95 | 63.8 Ų | 63.8 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -64.9 | -35.3 | 176.6 | -72.5 | -175.3 | 179.4 | -173.6 | 0 | 112.4 | V341 Y374 | K226-V341 WeakPolarHBondContact O-CG1 3.48Å; K226-Y374 WeakPolarHBondContact CD-O 3.41Å; K226-Y374 WeakPolarHBondContact CE-O 3.36Å; K226-Y374 PolarHBondContact NZ-O 3.32Å |
| 227 | T | 62.1 | Low | 81 | Confident | 10 Ų | 10 | 68.4 Ų | 68.4 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -101.6 | 150.8 | 169.7 | 73.1 | 0 | 0 | 0 | 0 | 109.2 | Q225 H229 E233 I344 I375 | Q225-T227 VanDerWaalsContact C-N 3.31Å; Q225-T227 CarbonylContact C-O 3.53Å; Q225-T227 WeakPolarHBondContact CB-O 3.45Å; Q225-T227 PolarHBondContact O-N 3.28Å; T227-H229 PolarHBondContact O-N 3.44Å; T227-E233 WeakPolarHBondContact CB-OE1 3.09Å; T227-E233 WeakPolarHBondContact CG2-OE1 3.33Å; T227-E233 PolarHBondContact OG1-OE1 3.19Å; T227-I344 HydrophobicContact CG2-CD1 3.6Å; T227-I375 HydrophobicContact CG2-CB 4.05Å; T227-I375 HydrophobicContact CG2-CG2 3.98Å |
| 228 | G | 60.7 | Low | 81 | Confident | 37 Ų | 37 | 65.3 Ų | 65.3 | 38% | 0.381 | 31% | 0.307 | S | S | . | . | trans | -72.6 | 130 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | R230 I231 | G228-R230 PolarHBondContact O-N 3.17Å; G228-I231 WeakPolarHBondContact O-CB 3.37Å; G228-I231 PolarHBondContact O-N 2.92Å | ||
| 229 | H | 65 | Low | 80.9 | Confident | 126 Ų | 126 | 62.3 Ų | 62.3 | 58% | 0.583 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -47.6 | -21.2 | 176.8 | -77.5 | -69.5 | 0 | 0 | 0 | 115.7 | Q225 T227 | Q225-H229 VanDerWaalsContact CD-ND1 3.3Å; Q225-H229 PolarHBondContact NE2-CE1 3.11Å; Q225-H229 PolarHBondContact OE1-CE1 3.25Å; Q225-H229 PolarHBondContact OE1-ND1 3.24Å; T227-H229 PolarHBondContact O-N 3.44Å |
| 230 | R | 77.4 | Confident | 80.8 | Confident | 122 Ų | 122 | 64.4 Ų | 64.4 | 46% | 0.46 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | 8.2 | -178.1 | -66 | -156.9 | -85.9 | -156.8 | -19.8 | 114.2 | G228 G351 S353 G354 | G228-R230 PolarHBondContact O-N 3.17Å; R230-G351 VanDerWaalsContact CZ-CA 3.44Å; R230-G351 PolarHBondContact NE-O 3.34Å; R230-G351 PolarHBondContact NH1-O 3.08Å; R230-G351 VanDerWaalsContact NH2-C 3.34Å; R230-G351 PolarHBondContact NH2-O 3.25Å; R230-S353 CarbonylContact O-C 3.55Å; R230-S353 WeakPolarHBondContact O-CA 3.3Å; R230-G354 PolarHBondContact O-N 2.96Å |
| 231 | I | 87.8 | Confident | 80.8 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 110.3 | 170.4 | -55.9 | 176.7 | 0 | 0 | 0 | 106.5 | G228 E233 I344 T347 G354 | G228-I231 WeakPolarHBondContact O-CB 3.37Å; G228-I231 PolarHBondContact O-N 2.92Å; I231-E233 HydrophobicContact CG2-CG 4.03Å; I231-E233 PolarHBondContact O-N 2.84Å; I231-I344 HydrophobicContact CD1-CD1 4.39Å; I231-I344 HydrophobicContact CD1-CG1 4.26Å; I231-T347 HydrophobicContact CD1-CG2 4.45Å; I231-T347 HydrophobicContact CG1-CG2 4.31Å; I231-T347 HydrophobicContact CG2-CG2 4.09Å; I231-G354 CarbonylContact C-O 3.59Å; I231-G354 WeakPolarHBondContact CA-O 3.48Å |
| 232 | K | 92.4 | Very high | 81.2 | Confident | 112 Ų | 112 | 68.6 Ų | 68.6 | 49% | 0.487 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 123.2 | 164.3 | -178.9 | -176.2 | 172.2 | -123.9 | 0 | 106.7 | E234 G354 H355 S356 | K232-E234 IonicContact NZ-OE2 3.09Å; K232-E234 PolarHBondContact NZ-OE2 3.22Å; K232-G354 PolarHBondContact N-O 3.03Å; K232-H355 PolarHBondContact NZ-CE1 3Å; K232-H355 PolarHBondContact NZ-NE2 3.35Å; K232-H355 PolarHBondContact O-CD2 3.32Å; K232-S356 PolarHBondContact O-N 3.17Å |
| 233 | E | 95.3 | Very high | 82.5 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 8% | 0.079 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.8 | 177.2 | -60.2 | 177.7 | -126.1 | 0 | 0 | 108.9 | T227 I231 Y340 I344 S356 H377 I379 P380 | T227-E233 WeakPolarHBondContact CB-OE1 3.09Å; T227-E233 WeakPolarHBondContact CG2-OE1 3.33Å; T227-E233 PolarHBondContact OG1-OE1 3.19Å; I231-E233 HydrophobicContact CG2-CG 4.03Å; I231-E233 PolarHBondContact O-N 2.84Å; E233-Y340 WeakPolarHBondContact OE2-CE1 3.34Å; E233-Y340 PolarHBondContact OE2-OH 2.62Å; E233-I344 HydrophobicContact CG-CD1 4.49Å; E233-S356 CarbonylContact C-O 3.59Å; E233-S356 WeakPolarHBondContact CA-O 3.48Å; E233-H377 IonicContact OE1-CE1 3.02Å; E233-H377 IonicContact OE1-NE2 3.69Å; E233-H377 PolarHBondContact OE1-NE2 2.93Å; E233-H377 IonicContact OE2-NE2 2.82Å; E233-I379 HydrophobicContact CB-CG2 4.05Å; E233-P380 WeakPolarHBondContact O-CD 3.23Å |
| 234 | E | 96.5 | Very high | 84.2 | Confident | 21 Ų | 21 | 59.8 Ų | 59.8 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 137 | -176 | -173.5 | 159.7 | -160.4 | 0 | 0 | 110.4 | K232 F236 H355 S356 I357 S358 S382 | K232-E234 IonicContact NZ-OE2 3.09Å; K232-E234 PolarHBondContact NZ-OE2 3.22Å; E234-F236 HydrophobicContact CG-CD2 4.41Å; E234-F236 HydrophobicContact CG-CE2 3.72Å; E234-F236 HydrophobicContact CG-CZ 4.07Å; E234-F236 WeakPolarHBondContact OE1-CZ 3.2Å; E234-H355 IonicContact OE2-CE1 3.02Å; E234-H355 PolarHBondContact OE2-CE1 3.4Å; E234-H355 VanDerWaalsContact OE2-CE1 3.3Å; E234-H355 IonicContact OE2-NE2 3.05Å; E234-H355 PolarHBondContact OE2-NE2 3.45Å; E234-S356 PolarHBondContact N-O 3.45Å; E234-I357 HydrophobicContact CB-CG1 4.34Å; E234-I357 CarbonylContact O-C 3.53Å; E234-I357 WeakPolarHBondContact O-CA 3.49Å; E234-S358 PolarHBondContact O-N 3.48Å; E234-S382 WeakPolarHBondContact CG-OG 3.45Å; E234-S382 WeakPolarHBondContact OE1-CB 3.43Å; E234-S382 PolarHBondContact OE1-OG 2.99Å |
| 235 | L | 98.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 131.9 | -176.8 | -170.4 | 71.9 | 0 | 0 | 0 | 111.1 | Y237 L333 S358 A360 L368 I379 P380 V381 S382 | L235-Y237 HydrophobicContact CD2-CE2 3.84Å; L235-Y237 HydrophobicContact CG-CE2 4.41Å; L235-L333 HydrophobicContact CD1-CD2 4.38Å; L235-S358 WeakPolarHBondContact CA-O 3.23Å; L235-A360 HydrophobicContact CD1-CB 3.84Å; L235-A360 HydrophobicContact CD2-CB 4.45Å; L235-A360 HydrophobicContact CG-CB 4.28Å; L235-L368 HydrophobicContact CD1-CD1 4.42Å; L235-L368 HydrophobicContact CD2-CD1 4.01Å; L235-L368 HydrophobicContact CD2-CD2 3.54Å; L235-L368 HydrophobicContact CD2-CG 4.44Å; L235-I379 HydrophobicContact CB-CB 4.22Å; L235-I379 HydrophobicContact CB-CG2 3.72Å; L235-P380 PolarHBondContact N-O 2.9Å; L235-V381 HydrophobicContact CD2-CG2 4.21Å; L235-V381 CarbonylContact O-C 3.59Å; L235-V381 WeakPolarHBondContact O-CA 3.44Å; L235-S382 PolarHBondContact O-N 3.34Å |
| 236 | F | 98.4 | Very high | 88 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.035 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 151.9 | 170 | -63.6 | -86.2 | 0 | 0 | 0 | 110.7 | E234 P238 L246 L250 I357 S358 L359 A360 S382 Y384 | E234-F236 HydrophobicContact CG-CD2 4.41Å; E234-F236 HydrophobicContact CG-CE2 3.72Å; E234-F236 HydrophobicContact CG-CZ 4.07Å; E234-F236 WeakPolarHBondContact OE1-CZ 3.2Å; F236-P238 WeakPolarHBondContact O-CD 3.18Å; F236-L246 HydrophobicContact CB-CD2 3.86Å; F236-L246 HydrophobicContact CG-CD2 4.22Å; F236-L250 HydrophobicContact CD2-CD1 4.16Å; F236-L250 HydrophobicContact CE2-CD1 4.02Å; F236-L250 HydrophobicContact CE2-CD2 3.92Å; F236-L250 HydrophobicContact CZ-CD2 3.89Å; F236-I357 HydrophobicContact CD2-CG2 3.67Å; F236-I357 HydrophobicContact CE2-CG2 3.61Å; F236-S358 PolarHBondContact N-O 3.39Å; F236-L359 HydrophobicContact CB-CD2 3.97Å; F236-L359 HydrophobicContact CD2-CD2 4.18Å; F236-L359 HydrophobicContact CG-CD2 4.48Å; F236-A360 PolarHBondContact O-N 3.45Å; F236-S382 WeakPolarHBondContact CD1-O 3.42Å; F236-Y384 HydrophobicContact CB-CD1 4.48Å; F236-Y384 AromaticContact CD1-CD1 3.92Å; F236-Y384 HydrophobicContact CD1-CD1 3.92Å |
| 237 | Y | 97.3 | Very high | 89.8 | Confident | 112 Ų | 112 | 46.3 Ų | 46.3 | 44% | 0.439 | 22% | 0.218 | S | C | . | . | trans | -112.8 | 76 | 175.3 | -72.4 | -83.2 | 0 | 0 | 0 | 111.7 | L235 A360 A365 L368 V381 | L235-Y237 HydrophobicContact CD2-CE2 3.84Å; L235-Y237 HydrophobicContact CG-CE2 4.41Å; Y237-A360 HydrophobicContact CD1-CB 3.72Å; Y237-A360 VanDerWaalsContact CD1-O 3.28Å; Y237-A360 WeakPolarHBondContact CD1-O 3.31Å; Y237-A360 HydrophobicContact CE1-CB 3.64Å; Y237-A360 HydrophobicContact CG-CB 4.48Å; Y237-A365 HydrophobicContact CE1-CB 4.41Å; Y237-L368 WeakPolarHBondContact OH-CD2 3.2Å; Y237-V381 HydrophobicContact CD2-CG1 3.86Å; Y237-V381 HydrophobicContact CE2-CG1 3.81Å; Y237-V381 HydrophobicContact CE2-CG2 3.91Å | ||
| 238 | P | 96.6 | Very high | 91.5 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 22% | 0.216 | C | C | . | . | trans | -83 | 154.7 | 176.1 | 34.3 | -36.8 | 0 | 0 | 0 | 113.6 | F236 E242 K243 L246 L359 C361 Y384 | F236-P238 WeakPolarHBondContact O-CD 3.18Å; P238-E242 HydrophobicContact CB-CB 4.19Å; P238-K243 HydrophobicContact CB-CG 4.27Å; P238-K243 HydrophobicContact CG-CG 3.8Å; P238-L246 HydrophobicContact CB-CD2 3.77Å; P238-L246 HydrophobicContact CG-CD2 3.95Å; P238-L359 HydrophobicContact CG-CB 3.97Å; P238-L359 HydrophobicContact CG-CD2 4.5Å; P238-C361 VanDerWaalsContact O-CA 3.25Å; P238-C361 WeakPolarHBondContact O-CA 3.21Å; P238-C361 WeakPolarHBondContact O-CB 3.49Å; P238-Y384 VanDerWaalsContact CA-OH 3.27Å; P238-Y384 WeakPolarHBondContact CA-OH 3.26Å; P238-Y384 HydrophobicContact CB-CE1 4.34Å | ||
| 239 | S | 94.1 | Very high | 93.2 | Very high | 32 Ų | 32 | 44.7 Ų | 44.7 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | trans | -66.4 | 158.4 | 160.7 | 83.6 | 0 | 0 | 0 | 0 | 110.3 | E241 E242 K243 | S239-E241 PolarHBondContact O-N 2.95Å; S239-E241 VanDerWaalsContact O-N 3.17Å; S239-E241 PolarHBondContact OG-N 3.36Å; S239-E242 PolarHBondContact N-OE2 2.72Å; S239-E242 PolarHBondContact O-N 3.11Å; S239-E242 VanDerWaalsContact OG-CG 3.3Å; S239-E242 WeakPolarHBondContact OG-CG 3.48Å; S239-E242 PolarHBondContact OG-N 2.93Å; S239-E242 PolarHBondContact OG-OE2 2.94Å; S239-K243 WeakPolarHBondContact O-CG 3.31Å; S239-K243 PolarHBondContact O-N 3.33Å; S239-K243 VanDerWaalsContact O-N 3.1Å | ||
| 240 | N | 92 | Very high | 94.8 | Very high | 56 Ų | 56 | 38.9 Ų | 38.9 | 30% | 0.299 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -32.8 | 176.1 | -83 | -32.6 | 0 | 0 | 0 | 112.9 | E242 C361 E362 | N240-E242 VanDerWaalsContact C-N 3.33Å; N240-C361 WeakPolarHBondContact OD1-CB 3.28Å; N240-C361 PolarHBondContact OD1-SG 2.88Å; N240-E362 WeakPolarHBondContact ND2-CG 3.42Å; N240-E362 PolarHBondContact ND2-OE1 2.98Å |
| 241 | E | 90.8 | Very high | 95.7 | Very high | 154 Ų | 154 | 33.4 Ų | 33.4 | 72% | 0.72 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -22 | -179.2 | -62.7 | 155.4 | 172.2 | 0 | 0 | 112.7 | S239 R245 | S239-E241 PolarHBondContact O-N 2.95Å; S239-E241 VanDerWaalsContact O-N 3.17Å; S239-E241 PolarHBondContact OG-N 3.36Å; E241-R245 PolarHBondContact O-NE 2.95Å; E241-R245 PolarHBondContact O-NH2 3.38Å |
| 242 | E | 94.7 | Very high | 96 | Very high | 41 Ų | 41 | 37.5 Ų | 37.5 | 19% | 0.192 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -25.4 | -179.8 | -71.4 | 170 | 161.7 | 0 | 0 | 112.5 | P238 S239 N240 M244 R245 L246 Y384 L389 | P238-E242 HydrophobicContact CB-CB 4.19Å; S239-E242 PolarHBondContact N-OE2 2.72Å; S239-E242 PolarHBondContact O-N 3.11Å; S239-E242 VanDerWaalsContact OG-CG 3.3Å; S239-E242 WeakPolarHBondContact OG-CG 3.48Å; S239-E242 PolarHBondContact OG-N 2.93Å; S239-E242 PolarHBondContact OG-OE2 2.94Å; N240-E242 VanDerWaalsContact C-N 3.33Å; E242-M244 VanDerWaalsContact C-N 3.3Å; E242-M244 PolarHBondContact O-N 3.43Å; E242-M244 VanDerWaalsContact O-N 3.12Å; E242-R245 PolarHBondContact O-N 3.11Å; E242-L246 PolarHBondContact O-N 2.84Å; E242-Y384 PolarHBondContact OE2-OH 3.08Å; E242-L389 HydrophobicContact CB-CD1 4.03Å; E242-L389 HydrophobicContact CG-CD1 4.14Å |
| 243 | K | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -46.9 | -48.2 | -174 | -69.5 | -175.1 | 85.4 | 162.8 | 0 | 114.3 | P238 S239 L246 L247 Y331 D332 L359 C361 | P238-K243 HydrophobicContact CB-CG 4.27Å; P238-K243 HydrophobicContact CG-CG 3.8Å; S239-K243 WeakPolarHBondContact O-CG 3.31Å; S239-K243 PolarHBondContact O-N 3.33Å; S239-K243 VanDerWaalsContact O-N 3.1Å; K243-L246 PolarHBondContact O-N 2.93Å; K243-L247 WeakPolarHBondContact O-CB 3.46Å; K243-L247 PolarHBondContact O-N 3.17Å; K243-Y331 HydrophobicContact CB-CE1 4.13Å; K243-Y331 HydrophobicContact CB-CE2 3.81Å; K243-Y331 VanDerWaalsContact CB-CZ 3.47Å; K243-Y331 WeakPolarHBondContact CB-OH 3.29Å; K243-Y331 HydrophobicContact CD-CE1 3.96Å; K243-Y331 WeakPolarHBondContact CE-O 3.43Å; K243-Y331 PolarHBondContact NZ-O 2.64Å; K243-D332 IonicContact NZ-OD1 2.87Å; K243-D332 PolarHBondContact NZ-OD1 3.14Å; K243-L359 HydrophobicContact CB-CD1 4.5Å; K243-C361 HydrophobicContact CD-CB 3.59Å; K243-C361 HydrophobicContact CG-CB 4.01Å; K243-C361 PolarHBondContact NZ-SG 3.17Å |
| 244 | M | 96.8 | Very high | 95.9 | Very high | 15 Ų | 15 | 41 Ų | 41 | 7% | 0.074 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67.3 | -41.4 | -177.1 | -171.5 | 66.3 | -124.4 | 0 | 0 | 111.5 | E242 L247 Q248 I272 H275 L276 Y331 L393 | E242-M244 VanDerWaalsContact C-N 3.3Å; E242-M244 PolarHBondContact O-N 3.43Å; E242-M244 VanDerWaalsContact O-N 3.12Å; M244-L247 HydrophobicContact CE-CD2 3.85Å; M244-L247 HydrophobicContact CE-CG 4.49Å; M244-L247 PolarHBondContact O-N 3.2Å; M244-L247 HydrophobicContact SD-CD2 4.41Å; M244-Q248 HydrophobicContact CE-CG 3.66Å; M244-Q248 PolarHBondContact O-N 3.32Å; M244-Q248 VanDerWaalsContact O-N 3.1Å; M244-I272 HydrophobicContact SD-CG1 4.36Å; M244-H275 HydrophobicContact CE-CB 3.58Å; M244-H275 HydrophobicContact CG-CB 4.09Å; M244-H275 HydrophobicContact SD-CB 3.7Å; M244-L276 HydrophobicContact CE-CD2 4.14Å; M244-L276 HydrophobicContact CE-CG 4.24Å; M244-Y331 PolarHBondContact N-OH 3.23Å; M244-L393 HydrophobicContact CG-CD1 4.38Å |
| 245 | R | 97.1 | Very high | 95.7 | Very high | 81 Ų | 81 | 48.8 Ų | 48.8 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -66.1 | -45 | 177.2 | -71 | 178.4 | -89 | 163.1 | -4 | 110.9 | E241 E242 L247 Q248 T249 L389 M390 L393 | E241-R245 PolarHBondContact O-NE 2.95Å; E241-R245 PolarHBondContact O-NH2 3.38Å; E242-R245 PolarHBondContact O-N 3.11Å; R245-L247 PolarHBondContact O-N 2.82Å; R245-Q248 PolarHBondContact O-N 3.22Å; R245-T249 WeakPolarHBondContact O-CB 3.25Å; R245-T249 PolarHBondContact O-N 2.71Å; R245-T249 PolarHBondContact O-OG1 2.97Å; R245-T249 VanDerWaalsContact O-OG1 3.08Å; R245-L389 HydrophobicContact CB-CB 4.18Å; R245-L389 HydrophobicContact CB-CD1 4.18Å; R245-M390 WeakPolarHBondContact CD-O 3.47Å; R245-M390 WeakPolarHBondContact CG-O 3.35Å; R245-L393 HydrophobicContact CB-CD1 4.38Å; R245-L393 HydrophobicContact CG-CD1 3.54Å; R245-L393 HydrophobicContact CG-CG 4.28Å |
| 246 | L | 97.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.6 | -44.1 | 174.6 | 179.3 | 59.8 | 0 | 0 | 0 | 111.8 | F236 P238 E242 K243 Q248 T249 L250 L359 Y384 L389 | F236-L246 HydrophobicContact CB-CD2 3.86Å; F236-L246 HydrophobicContact CG-CD2 4.22Å; P238-L246 HydrophobicContact CB-CD2 3.77Å; P238-L246 HydrophobicContact CG-CD2 3.95Å; E242-L246 PolarHBondContact O-N 2.84Å; K243-L246 PolarHBondContact O-N 2.93Å; L246-Q248 PolarHBondContact O-N 3.38Å; L246-T249 PolarHBondContact O-N 2.8Å; L246-L250 HydrophobicContact CD1-CD1 3.86Å; L246-L250 HydrophobicContact CD1-CD2 4.42Å; L246-L250 HydrophobicContact CD1-CG 3.9Å; L246-L250 HydrophobicContact CG-CD1 3.8Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.42Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.36Å; L246-L359 HydrophobicContact CD2-CD2 3.76Å; L246-L359 HydrophobicContact CG-CD2 4.26Å; L246-Y384 HydrophobicContact CD1-CD1 4.3Å; L246-Y384 HydrophobicContact CD1-CD2 4.05Å; L246-Y384 HydrophobicContact CD1-CG 3.83Å; L246-Y384 HydrophobicContact CD2-CD1 3.96Å; L246-Y384 HydrophobicContact CD2-CE1 4.01Å; L246-Y384 HydrophobicContact CD2-CG 4.27Å; L246-L389 HydrophobicContact CB-CD1 4.45Å; L246-L389 HydrophobicContact CB-CD2 4.11Å; L246-L389 HydrophobicContact CD1-CD2 3.87Å |
| 247 | L | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -48.1 | 176.2 | 173.2 | 66.8 | 0 | 0 | 0 | 111.9 | K243 M244 R245 L250 I251 I261 I272 F329 Y331 L359 | K243-L247 WeakPolarHBondContact O-CB 3.46Å; K243-L247 PolarHBondContact O-N 3.17Å; M244-L247 HydrophobicContact CE-CD2 3.85Å; M244-L247 HydrophobicContact CE-CG 4.49Å; M244-L247 PolarHBondContact O-N 3.2Å; M244-L247 HydrophobicContact SD-CD2 4.41Å; R245-L247 PolarHBondContact O-N 2.82Å; L247-L250 PolarHBondContact O-N 3.27Å; L247-I251 HydrophobicContact CD1-CD1 3.94Å; L247-I251 HydrophobicContact CD1-CG1 4.38Å; L247-I251 HydrophobicContact CG-CD1 3.93Å; L247-I251 VanDerWaalsContact O-CG1 3.3Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 2.89Å; L247-I261 HydrophobicContact CD1-CD1 4.17Å; L247-I261 HydrophobicContact CD1-CG1 4.5Å; L247-I261 HydrophobicContact CD1-CG2 4.43Å; L247-I261 HydrophobicContact CD2-CD1 4.03Å; L247-I261 HydrophobicContact CD2-CG2 4.12Å; L247-I272 HydrophobicContact CD2-CG2 3.81Å; L247-F329 HydrophobicContact CD1-CB 4.01Å; L247-F329 HydrophobicContact CD1-CD1 3.77Å; L247-F329 HydrophobicContact CD1-CD2 4.49Å; L247-F329 HydrophobicContact CD1-CE1 4.35Å; L247-F329 HydrophobicContact CD1-CG 3.84Å; L247-Y331 HydrophobicContact CB-CD2 4.11Å; L247-Y331 HydrophobicContact CB-CE2 4.04Å; L247-Y331 HydrophobicContact CD2-CD2 3.61Å; L247-Y331 HydrophobicContact CD2-CE2 3.84Å; L247-Y331 HydrophobicContact CG-CD2 4.3Å; L247-L359 HydrophobicContact CB-CD1 4.45Å |
| 248 | Q | 97.7 | Very high | 94.9 | Very high | 2 Ų | 2 | 53.6 Ų | 53.6 | 1% | 0.009 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -39.6 | 179.9 | -81.8 | 177.4 | -75.7 | 0 | 0 | 112.5 | M244 R245 L246 L250 I251 E252 L276 D279 M390 L393 | M244-Q248 HydrophobicContact CE-CG 3.66Å; M244-Q248 PolarHBondContact O-N 3.32Å; M244-Q248 VanDerWaalsContact O-N 3.1Å; R245-Q248 PolarHBondContact O-N 3.22Å; L246-Q248 PolarHBondContact O-N 3.38Å; Q248-L250 VanDerWaalsContact C-N 3.33Å; Q248-L250 PolarHBondContact O-N 2.89Å; Q248-I251 PolarHBondContact O-N 3.4Å; Q248-E252 PolarHBondContact O-N 2.88Å; Q248-L276 HydrophobicContact CG-CD2 3.73Å; Q248-D279 VanDerWaalsContact NE2-CB 3.3Å; Q248-D279 VanDerWaalsContact NE2-CG 3.28Å; Q248-D279 PolarHBondContact NE2-OD2 2.94Å; Q248-M390 HydrophobicContact CB-SD 4.07Å; Q248-L393 HydrophobicContact CB-CD2 4.25Å |
| 249 | T | 97.5 | Very high | 94.8 | Very high | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.067 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -47.8 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 111 | R245 L246 I251 E252 E253 L389 M390 | R245-T249 WeakPolarHBondContact O-CB 3.25Å; R245-T249 PolarHBondContact O-N 2.71Å; R245-T249 PolarHBondContact O-OG1 2.97Å; R245-T249 VanDerWaalsContact O-OG1 3.08Å; L246-T249 PolarHBondContact O-N 2.8Å; T249-I251 PolarHBondContact O-N 3.28Å; T249-E252 CarbonylContact O-C 3.57Å; T249-E252 PolarHBondContact O-N 3.07Å; T249-E253 HydrophobicContact CG2-CG 4.33Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.28Å; T249-E253 WeakPolarHBondContact O-CB 3.5Å; T249-E253 WeakPolarHBondContact O-CG 3.34Å; T249-E253 PolarHBondContact O-N 3.28Å; T249-L389 HydrophobicContact CG2-CD2 4.34Å; T249-M390 WeakPolarHBondContact OG1-CG 3.43Å; T249-M390 PolarHBondContact OG1-N 2.97Å |
| 250 | L | 97.5 | Very high | 94.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65 | -36.6 | 178.6 | -69.9 | 167.3 | 0 | 0 | 0 | 112.7 | F236 L246 L247 Q248 E252 E253 E254 F329 I357 L359 | F236-L250 HydrophobicContact CD2-CD1 4.16Å; F236-L250 HydrophobicContact CE2-CD1 4.02Å; F236-L250 HydrophobicContact CE2-CD2 3.92Å; F236-L250 HydrophobicContact CZ-CD2 3.89Å; L246-L250 HydrophobicContact CD1-CD1 3.86Å; L246-L250 HydrophobicContact CD1-CD2 4.42Å; L246-L250 HydrophobicContact CD1-CG 3.9Å; L246-L250 HydrophobicContact CG-CD1 3.8Å; L246-L250 HydrophobicContact CG-CG 4.3Å; L246-L250 WeakPolarHBondContact O-CB 3.42Å; L246-L250 WeakPolarHBondContact O-CG 3.43Å; L246-L250 PolarHBondContact O-N 3.36Å; L247-L250 PolarHBondContact O-N 3.27Å; Q248-L250 VanDerWaalsContact C-N 3.33Å; Q248-L250 PolarHBondContact O-N 2.89Å; L250-E252 VanDerWaalsContact C-N 3.32Å; L250-E253 PolarHBondContact O-N 3.45Å; L250-E254 WeakPolarHBondContact O-CB 3.4Å; L250-E254 VanDerWaalsContact O-CG 3.23Å; L250-E254 WeakPolarHBondContact O-CG 3.46Å; L250-E254 PolarHBondContact O-N 3.15Å; L250-F329 HydrophobicContact CB-CE1 4.14Å; L250-I357 HydrophobicContact CD1-CG2 3.94Å; L250-L359 HydrophobicContact CD1-CD2 4.22Å |
| 251 | I | 97.2 | Very high | 95.2 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.2 | -72.1 | 163.4 | 0 | 0 | 0 | 110.6 | L247 Q248 T249 W255 P256 I261 L276 I309 F329 | L247-I251 HydrophobicContact CD1-CD1 3.94Å; L247-I251 HydrophobicContact CD1-CG1 4.38Å; L247-I251 HydrophobicContact CG-CD1 3.93Å; L247-I251 VanDerWaalsContact O-CG1 3.3Å; L247-I251 WeakPolarHBondContact O-CG1 3.36Å; L247-I251 PolarHBondContact O-N 2.89Å; Q248-I251 PolarHBondContact O-N 3.4Å; T249-I251 PolarHBondContact O-N 3.28Å; I251-W255 WeakPolarHBondContact O-CA 3.41Å; I251-W255 PolarHBondContact O-N 2.63Å; I251-P256 HydrophobicContact CG2-CG 4.32Å; I251-P256 VanDerWaalsContact O-CD 3.31Å; I251-P256 WeakPolarHBondContact O-CD 3.37Å; I251-I261 HydrophobicContact CD1-CD1 4.1Å; I251-L276 HydrophobicContact CD1-CD2 3.85Å; I251-I309 HydrophobicContact CD1-CD1 4.25Å; I251-I309 HydrophobicContact CG2-CD1 4.44Å; I251-F329 HydrophobicContact CG1-CE2 4.16Å; I251-F329 HydrophobicContact CG1-CZ 3.97Å |
| 252 | E | 93.4 | Very high | 95.6 | Very high | 103 Ų | 103 | 42 Ų | 42 | 48% | 0.481 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -75.2 | -22.2 | 178.5 | -171.3 | 58.7 | -158.6 | 0 | 0 | 113.3 | Q248 T249 L250 W255 M390 | Q248-E252 PolarHBondContact O-N 2.88Å; T249-E252 CarbonylContact O-C 3.57Å; T249-E252 PolarHBondContact O-N 3.07Å; L250-E252 VanDerWaalsContact C-N 3.32Å; E252-W255 PolarHBondContact O-NE1 2.66Å; E252-M390 HydrophobicContact CB-SD 4.4Å |
| 253 | E | 93.9 | Very high | 95.7 | Very high | 134 Ų | 134 | 40.1 Ų | 40.1 | 63% | 0.626 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -85.4 | -41.8 | 174.5 | -73.4 | 175.1 | 171.7 | 0 | 0 | 111.9 | T249 L250 | T249-E253 HydrophobicContact CG2-CG 4.33Å; T249-E253 WeakPolarHBondContact CG2-OE1 3.28Å; T249-E253 WeakPolarHBondContact O-CB 3.5Å; T249-E253 WeakPolarHBondContact O-CG 3.34Å; T249-E253 PolarHBondContact O-N 3.28Å; L250-E253 PolarHBondContact O-N 3.45Å |
| 254 | E | 92.7 | Very high | 95.7 | Very high | 68 Ų | 68 | 41.1 Ų | 41.1 | 32% | 0.318 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -86.7 | -23.2 | -174 | -64.4 | -76.5 | 150.6 | 0 | 0 | 113.4 | L250 H327 H355 I357 | L250-E254 WeakPolarHBondContact O-CB 3.4Å; L250-E254 VanDerWaalsContact O-CG 3.23Å; L250-E254 WeakPolarHBondContact O-CG 3.46Å; L250-E254 PolarHBondContact O-N 3.15Å; E254-H327 IonicContact OE2-NE2 3.6Å; E254-H327 PolarHBondContact OE2-NE2 3.4Å; E254-H355 IonicContact OE1-CE1 3.71Å; E254-H355 IonicContact OE1-ND1 3.56Å; E254-H355 IonicContact OE2-CE1 3.11Å; E254-H355 PolarHBondContact OE2-CE1 2.87Å; E254-H355 VanDerWaalsContact OE2-CE1 3.29Å; E254-H355 IonicContact OE2-ND1 2.63Å; E254-H355 PolarHBondContact OE2-ND1 3.25Å; E254-I357 HydrophobicContact CG-CD1 4.08Å |
| 255 | W | 91.6 | Very high | 95.5 | Very high | 184 Ų | 184 | 43.1 Ų | 43.1 | 70% | 0.697 | 20% | 0.198 | S | C | * | . | trans | 46.9 | 61 | -177 | -80.5 | 60.4 | 0 | 0 | 0 | 113.3 | I251 E252 D257 | I251-W255 WeakPolarHBondContact O-CA 3.41Å; I251-W255 PolarHBondContact O-N 2.63Å; E252-W255 PolarHBondContact O-NE1 2.66Å; W255-D257 PolarHBondContact O-N 2.82Å | ||
| 256 | P | 93.3 | Very high | 95.4 | Very high | 17 Ų | 17 | 43 Ų | 43 | 11% | 0.11 | 20% | 0.2 | C | C | . | . | trans | -66.6 | 122.2 | -175.8 | 28.8 | -36 | 0 | 0 | 0 | 111.8 | I251 R258 A259 H327 F329 | I251-P256 HydrophobicContact CG2-CG 4.32Å; I251-P256 VanDerWaalsContact O-CD 3.31Å; I251-P256 WeakPolarHBondContact O-CD 3.37Å; P256-R258 VanDerWaalsContact C-N 3.26Å; P256-R258 PolarHBondContact O-N 3.41Å; P256-A259 HydrophobicContact CB-CB 4.03Å; P256-A259 HydrophobicContact CG-CB 4.15Å; P256-H327 HydrophobicContact CB-CB 3.83Å; P256-H327 VanDerWaalsContact CB-ND1 3.29Å; P256-H327 WeakPolarHBondContact CB-ND1 3.31Å; P256-F329 HydrophobicContact CG-CE2 4.43Å | ||
| 257 | D | 90.5 | Very high | 95.2 | Very high | 125 Ų | 125 | 47.3 Ų | 47.3 | 67% | 0.668 | 22% | 0.22 | S | C | * | . | S | Bend | trans | -54.5 | -43.4 | 171.7 | -67.5 | -39.9 | 0 | 0 | 0 | 112.5 | W255 T326 | W255-D257 PolarHBondContact O-N 2.82Å; D257-T326 HydrophobicContact CB-CG2 3.92Å; D257-T326 PolarHBondContact N-OG1 3.18Å |
| 258 | R | 93.1 | Very high | 95.1 | Very high | 80 Ų | 80 | 51.5 Ų | 51.5 | 30% | 0.302 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -146.6 | 133.5 | 173.6 | -80.1 | -173 | -79.2 | -164.5 | -6 | 109.9 | P256 F302 T303 D308 V325 T326 H327 | P256-R258 VanDerWaalsContact C-N 3.26Å; P256-R258 PolarHBondContact O-N 3.41Å; R258-F302 HydrophobicContact CB-CE2 4.45Å; R258-F302 HydrophobicContact CB-CZ 4.08Å; R258-F302 HydrophobicContact CG-CE2 4.41Å; R258-F302 HydrophobicContact CG-CZ 4.34Å; R258-T303 PolarHBondContact NH1-O 2.98Å; R258-D308 CarbonylContact C-O 3.59Å; R258-D308 VanDerWaalsContact CA-O 3.31Å; R258-D308 WeakPolarHBondContact CA-O 3.43Å; R258-V325 HydrophobicContact CB-CB 4.3Å; R258-V325 HydrophobicContact CB-CG1 4.25Å; R258-V325 WeakPolarHBondContact O-CB 3.33Å; R258-T326 PolarHBondContact N-OG1 2.81Å; R258-T326 PolarHBondContact O-N 3.15Å; R258-T326 PolarHBondContact O-OG1 3.05Å; R258-H327 PolarHBondContact O-N 2.92Å; R258-H327 VanDerWaalsContact O-N 3.14Å |
| 259 | A | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 150.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P256 D308 I309 L310 H327 F329 | P256-A259 HydrophobicContact CB-CB 4.03Å; P256-A259 HydrophobicContact CG-CB 4.15Å; A259-D308 PolarHBondContact N-O 3.44Å; A259-I309 HydrophobicContact CB-CG1 4.42Å; A259-I309 WeakPolarHBondContact O-CA 3.34Å; A259-L310 PolarHBondContact O-N 2.85Å; A259-H327 VanDerWaalsContact CA-O 3.27Å; A259-H327 WeakPolarHBondContact CA-O 3.29Å; A259-H327 HydrophobicContact CB-CB 4.13Å; A259-F329 HydrophobicContact CB-CD2 4.1Å; A259-F329 HydrophobicContact CB-CE2 3.87Å |
| 260 | I | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 132 | 164 | -52.3 | 171.2 | 0 | 0 | 0 | 108.8 | F262 F302 L310 I322 V325 H327 V328 F329 R346 | I260-F262 HydrophobicContact CB-CE2 3.97Å; I260-F262 HydrophobicContact CB-CZ 4.45Å; I260-F262 HydrophobicContact CG2-CD2 3.87Å; I260-F262 HydrophobicContact CG2-CE1 4.11Å; I260-F262 HydrophobicContact CG2-CE2 3.4Å; I260-F262 HydrophobicContact CG2-CG 4.42Å; I260-F262 HydrophobicContact CG2-CZ 3.54Å; I260-F302 HydrophobicContact CG1-CZ 4.47Å; I260-L310 CarbonylContact C-O 3.57Å; I260-L310 WeakPolarHBondContact CA-O 3.37Å; I260-L310 HydrophobicContact CG1-CB 4.48Å; I260-L310 HydrophobicContact CG2-CB 4.46Å; I260-I322 HydrophobicContact CD1-CB 4.22Å; I260-I322 HydrophobicContact CD1-CD1 3.61Å; I260-I322 HydrophobicContact CD1-CG2 3.78Å; I260-V325 HydrophobicContact CD1-CG1 3.96Å; I260-V325 HydrophobicContact CD1-CG2 4.14Å; I260-V325 HydrophobicContact CG1-CB 4.47Å; I260-V325 HydrophobicContact CG1-CG1 3.83Å; I260-V325 HydrophobicContact CG1-CG2 4.14Å; I260-H327 PolarHBondContact N-O 3.13Å; I260-V328 CarbonylContact O-C 3.52Å; I260-V328 WeakPolarHBondContact O-CA 3.43Å; I260-F329 PolarHBondContact O-N 2.74Å; I260-R346 HydrophobicContact CD1-CB 3.71Å; I260-R346 HydrophobicContact CD1-CG 3.82Å |
| 261 | I | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 118.7 | 177.7 | -52.7 | 172 | 0 | 0 | 0 | 108.1 | L247 I251 I272 L276 I309 L310 V311 A312 F329 | L247-I261 HydrophobicContact CD1-CD1 4.17Å; L247-I261 HydrophobicContact CD1-CG1 4.5Å; L247-I261 HydrophobicContact CD1-CG2 4.43Å; L247-I261 HydrophobicContact CD2-CD1 4.03Å; L247-I261 HydrophobicContact CD2-CG2 4.12Å; I251-I261 HydrophobicContact CD1-CD1 4.1Å; I261-I272 HydrophobicContact CD1-CG2 4.45Å; I261-I272 HydrophobicContact CG2-CG2 4.18Å; I261-L276 HydrophobicContact CD1-CD1 3.44Å; I261-L276 VanDerWaalsContact CD1-CD1 3.44Å; I261-I309 HydrophobicContact CD1-CG2 3.46Å; I261-I309 VanDerWaalsContact CD1-CG2 3.46Å; I261-I309 HydrophobicContact CG1-CG2 3.91Å; I261-L310 PolarHBondContact N-O 2.98Å; I261-V311 HydrophobicContact CB-CG2 4.35Å; I261-V311 HydrophobicContact CD1-CG2 4.35Å; I261-V311 CarbonylContact O-C 3.56Å; I261-V311 WeakPolarHBondContact O-CA 3.32Å; I261-A312 PolarHBondContact O-N 2.95Å; I261-F329 CarbonylContact C-O 3.55Å; I261-F329 WeakPolarHBondContact CA-O 3.45Å; I261-F329 HydrophobicContact CB-CB 4.36Å; I261-F329 HydrophobicContact CG1-CB 4.04Å; I261-F329 HydrophobicContact CG1-CD2 4.02Å; I261-F329 HydrophobicContact CG1-CG 4.36Å; I261-F329 HydrophobicContact CG2-CB 4.2Å |
| 262 | F | 98.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.6 | -178.8 | -72.6 | -78.5 | 0 | 0 | 0 | 112.2 | I260 A312 A317 V328 F329 Y331 D332 R343 R346 | I260-F262 HydrophobicContact CB-CE2 3.97Å; I260-F262 HydrophobicContact CB-CZ 4.45Å; I260-F262 HydrophobicContact CG2-CD2 3.87Å; I260-F262 HydrophobicContact CG2-CE1 4.11Å; I260-F262 HydrophobicContact CG2-CE2 3.4Å; I260-F262 HydrophobicContact CG2-CG 4.42Å; I260-F262 HydrophobicContact CG2-CZ 3.54Å; F262-A312 VanDerWaalsContact CA-O 3.32Å; F262-A312 WeakPolarHBondContact CA-O 3.35Å; F262-A312 HydrophobicContact CE1-CB 4.47Å; F262-A317 HydrophobicContact CD1-CB 4.49Å; F262-A317 HydrophobicContact CE1-CB 3.44Å; F262-A317 VanDerWaalsContact CE1-CB 3.44Å; F262-A317 HydrophobicContact CZ-CB 4.04Å; F262-V328 HydrophobicContact CD2-CG1 3.86Å; F262-V328 HydrophobicContact CE2-CG1 3.96Å; F262-F329 PolarHBondContact N-O 3.33Å; F262-Y331 WeakPolarHBondContact O-CA 3.36Å; F262-Y331 VanDerWaalsContact O-CB 3.27Å; F262-Y331 WeakPolarHBondContact O-CB 3.36Å; F262-Y331 PolarHBondContact O-N 2.65Å; F262-D332 PolarHBondContact O-N 2.89Å; F262-R343 HydrophobicContact CB-CG 4.27Å; F262-R343 HydrophobicContact CD1-CG 3.87Å; F262-R343 HydrophobicContact CD2-CB 3.74Å; F262-R343 HydrophobicContact CD2-CG 3.61Å; F262-R343 HydrophobicContact CE1-CG 4Å; F262-R343 HydrophobicContact CE2-CB 3.72Å; F262-R343 HydrophobicContact CE2-CG 3.77Å; F262-R343 HydrophobicContact CG-CB 4.3Å; F262-R343 HydrophobicContact CG-CG 3.65Å; F262-R343 HydrophobicContact CZ-CB 4.27Å; F262-R343 HydrophobicContact CZ-CG 3.96Å; F262-R346 HydrophobicContact CE2-CG 4.31Å; F262-R346 HydrophobicContact CZ-CG 4.21Å |
| 263 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -135 | 150.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | T265 R268 I272 A312 T313 D332 | A263-T265 VanDerWaalsContact C-N 3.33Å; A263-T265 PolarHBondContact O-N 2.84Å; A263-R268 HydrophobicContact CB-CB 3.94Å; A263-I272 HydrophobicContact CB-CD1 3.72Å; A263-A312 PolarHBondContact N-O 2.9Å; A263-T313 WeakPolarHBondContact O-CA 3.02Å; A263-D332 WeakPolarHBondContact CA-OD2 3.27Å; A263-D332 VanDerWaalsContact CB-OD2 3.31Å; A263-D332 WeakPolarHBondContact CB-OD2 3.26Å | ||
| 264 | N | 94.8 | Very high | 95.6 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.134 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -75.2 | -26.7 | -167.6 | -67.2 | 1 | 0 | 0 | 0 | 112 | D332 L333 D335 R343 Y364 | N264-D332 HydrophobicContact CB-CB 4.32Å; N264-D332 PolarHBondContact N-OD2 3.35Å; N264-L333 PolarHBondContact ND2-O 3.03Å; N264-D335 PolarHBondContact ND2-OD1 3.31Å; N264-D335 PolarHBondContact ND2-OD2 3.31Å; N264-R343 PolarHBondContact OD1-NH2 3.2Å; N264-Y364 HydrophobicContact CB-CE1 4.28Å; N264-Y364 WeakPolarHBondContact ND2-CD1 3.4Å; N264-Y364 WeakPolarHBondContact ND2-CE1 3.25Å |
| 265 | T | 94.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 44.6 Ų | 44.6 | 36% | 0.356 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -117.3 | 150.4 | -177.2 | 77.5 | 0 | 0 | 0 | 0 | 113.3 | A263 H267 R268 C269 | A263-T265 VanDerWaalsContact C-N 3.33Å; A263-T265 PolarHBondContact O-N 2.84Å; T265-H267 PolarHBondContact O-N 2.83Å; T265-R268 PolarHBondContact O-N 3.48Å; T265-R268 WeakPolarHBondContact OG1-CB 3.42Å; T265-R268 WeakPolarHBondContact OG1-CG 3.2Å; T265-R268 PolarHBondContact OG1-N 3.44Å; T265-R268 VanDerWaalsContact OG1-N 3.13Å; T265-C269 PolarHBondContact O-N 3.36Å; T265-C269 PolarHBondContact O-SG 2.97Å; T265-C269 VanDerWaalsContact O-SG 3.35Å |
| 266 | K | 93.6 | Very high | 96.1 | Very high | 78 Ų | 78 | 35.9 Ų | 35.9 | 34% | 0.339 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.8 | -37.9 | 174 | 66.6 | 179.1 | -175 | 171.1 | 0 | 112.4 | C269 E270 T287 D289 | K266-C269 WeakPolarHBondContact O-CB 2.98Å; K266-C269 PolarHBondContact O-N 2.97Å; K266-E270 VanDerWaalsContact O-CG 3.32Å; K266-E270 WeakPolarHBondContact O-CG 3.42Å; K266-E270 PolarHBondContact O-N 2.68Å; K266-T287 HydrophobicContact CB-CG2 4.22Å; K266-D289 WeakPolarHBondContact CD-OD2 3.47Å; K266-D289 IonicContact NZ-OD1 3.97Å; K266-D289 PolarHBondContact NZ-OD1 2.87Å; K266-D289 IonicContact NZ-OD2 3.65Å; K266-D289 PolarHBondContact NZ-OD2 3.49Å |
| 267 | H | 94.8 | Very high | 96.3 | Very high | 92 Ų | 92 | 36.2 Ų | 36.2 | 43% | 0.426 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -69 | -40.1 | -178.7 | -69.8 | -43.3 | 0 | 0 | 0 | 111.7 | T265 E270 E271 | T265-H267 PolarHBondContact O-N 2.83Å; H267-E270 IonicContact ND1-OE2 3.57Å; H267-E270 PolarHBondContact O-N 2.75Å; H267-E271 PolarHBondContact O-N 2.98Å; H267-E271 VanDerWaalsContact O-N 3.1Å |
| 268 | R | 95.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 31.6 Ų | 31.6 | 33% | 0.332 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -62.1 | -45 | 171.1 | -72.7 | -58.9 | 99.8 | -153.3 | -4.1 | 111.3 | A263 T265 E270 E271 I272 | A263-R268 HydrophobicContact CB-CB 3.94Å; T265-R268 PolarHBondContact O-N 3.48Å; T265-R268 WeakPolarHBondContact OG1-CB 3.42Å; T265-R268 WeakPolarHBondContact OG1-CG 3.2Å; T265-R268 PolarHBondContact OG1-N 3.44Å; T265-R268 VanDerWaalsContact OG1-N 3.13Å; R268-E270 VanDerWaalsContact C-N 3.34Å; R268-E270 PolarHBondContact O-N 3.27Å; R268-E271 IonicContact CZ-OE1 3.46Å; R268-E271 IonicContact CZ-OE2 3.41Å; R268-E271 IonicContact NH1-OE1 2.74Å; R268-E271 PolarHBondContact NH1-OE1 3.01Å; R268-E271 IonicContact NH1-OE2 2.84Å; R268-E271 PolarHBondContact NH1-OE2 3.24Å; R268-E271 IonicContact NH2-OE1 2.68Å; R268-E271 IonicContact NH2-OE2 3.44Å; R268-E271 PolarHBondContact NH2-OE2 3.02Å; R268-E271 PolarHBondContact O-N 3Å; R268-E271 VanDerWaalsContact O-N 3.14Å; R268-I272 VanDerWaalsContact O-CG1 3.31Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 3.12Å |
| 269 | C | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 176.1 | -68.4 | 0 | 0 | 0 | 0 | 112.9 | T265 K266 E271 W273 L285 T287 V311 T313 | T265-C269 PolarHBondContact O-N 3.36Å; T265-C269 PolarHBondContact O-SG 2.97Å; T265-C269 VanDerWaalsContact O-SG 3.35Å; K266-C269 WeakPolarHBondContact O-CB 2.98Å; K266-C269 PolarHBondContact O-N 2.97Å; C269-E271 VanDerWaalsContact C-N 3.3Å; C269-E271 PolarHBondContact O-N 2.79Å; C269-W273 VanDerWaalsContact O-CB 3.31Å; C269-W273 WeakPolarHBondContact O-CB 3.3Å; C269-W273 PolarHBondContact O-N 2.81Å; C269-L285 HydrophobicContact CB-CD1 3.73Å; C269-L285 WeakPolarHBondContact O-CD1 3.34Å; C269-T287 HydrophobicContact CB-CG2 3.63Å; C269-V311 HydrophobicContact CB-CG1 3.83Å; C269-V311 WeakPolarHBondContact O-CG1 3.22Å; C269-T313 VanDerWaalsContact SG-CG2 3.5Å |
| 270 | E | 96.8 | Very high | 96.7 | Very high | 33 Ų | 33 | 33.3 Ų | 33.3 | 15% | 0.154 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -39.1 | 176.1 | -71.8 | -177.4 | 165.8 | 0 | 0 | 112 | K266 H267 R268 G274 L285 L399 R401 | K266-E270 VanDerWaalsContact O-CG 3.32Å; K266-E270 WeakPolarHBondContact O-CG 3.42Å; K266-E270 PolarHBondContact O-N 2.68Å; H267-E270 IonicContact ND1-OE2 3.57Å; H267-E270 PolarHBondContact O-N 2.75Å; R268-E270 VanDerWaalsContact C-N 3.34Å; R268-E270 PolarHBondContact O-N 3.27Å; E270-G274 PolarHBondContact O-N 3.41Å; E270-L285 HydrophobicContact CG-CD2 4.07Å; E270-L399 HydrophobicContact CB-CD1 4.23Å; E270-L399 HydrophobicContact CG-CD1 3.58Å; E270-R401 IonicContact OE2-CZ 2.96Å; E270-R401 IonicContact OE2-NH2 2.66Å; E270-R401 PolarHBondContact OE2-NH2 3.35Å |
| 271 | E | 96.7 | Very high | 96.8 | Very high | 74 Ų | 74 | 35.6 Ų | 35.6 | 35% | 0.346 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -69.4 | -48.3 | 178.6 | -172.6 | 168.9 | 132.7 | 0 | 0 | 112.2 | H267 R268 C269 W273 G274 H275 | H267-E271 PolarHBondContact O-N 2.98Å; H267-E271 VanDerWaalsContact O-N 3.1Å; R268-E271 IonicContact CZ-OE1 3.46Å; R268-E271 IonicContact CZ-OE2 3.41Å; R268-E271 IonicContact NH1-OE1 2.74Å; R268-E271 PolarHBondContact NH1-OE1 3.01Å; R268-E271 IonicContact NH1-OE2 2.84Å; R268-E271 PolarHBondContact NH1-OE2 3.24Å; R268-E271 IonicContact NH2-OE1 2.68Å; R268-E271 IonicContact NH2-OE2 3.44Å; R268-E271 PolarHBondContact NH2-OE2 3.02Å; R268-E271 PolarHBondContact O-N 3Å; R268-E271 VanDerWaalsContact O-N 3.14Å; C269-E271 VanDerWaalsContact C-N 3.3Å; C269-E271 PolarHBondContact O-N 2.79Å; E271-W273 VanDerWaalsContact C-N 3.34Å; E271-W273 PolarHBondContact O-N 3.44Å; E271-G274 WeakPolarHBondContact O-CA 3.21Å; E271-G274 PolarHBondContact O-N 2.99Å; E271-H275 PolarHBondContact O-CD2 3.04Å; E271-H275 VanDerWaalsContact O-CD2 3.28Å; E271-H275 PolarHBondContact O-N 2.92Å |
| 272 | I | 98.4 | Very high | 96.7 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.9 | -47.1 | 177.1 | -63.4 | 161.2 | 0 | 0 | 0 | 110.2 | M244 L247 I261 A263 R268 G274 H275 L276 V311 Y331 | M244-I272 HydrophobicContact SD-CG1 4.36Å; L247-I272 HydrophobicContact CD2-CG2 3.81Å; I261-I272 HydrophobicContact CD1-CG2 4.45Å; I261-I272 HydrophobicContact CG2-CG2 4.18Å; A263-I272 HydrophobicContact CB-CD1 3.72Å; R268-I272 VanDerWaalsContact O-CG1 3.31Å; R268-I272 WeakPolarHBondContact O-CG1 3.49Å; R268-I272 PolarHBondContact O-N 3.12Å; I272-G274 VanDerWaalsContact C-N 3.28Å; I272-G274 PolarHBondContact O-N 3.09Å; I272-H275 PolarHBondContact O-N 3.27Å; I272-L276 HydrophobicContact CG2-CD1 3.88Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.1Å; I272-L276 PolarHBondContact O-N 2.97Å; I272-V311 HydrophobicContact CB-CG1 4.04Å; I272-V311 HydrophobicContact CG2-CG1 4.05Å; I272-V311 HydrophobicContact CG2-CG2 3.84Å; I272-Y331 HydrophobicContact CD1-CD1 3.54Å; I272-Y331 HydrophobicContact CD1-CD2 4.06Å; I272-Y331 HydrophobicContact CD1-CE1 3.89Å; I272-Y331 HydrophobicContact CD1-CE2 4.35Å; I272-Y331 HydrophobicContact CD1-CG 3.61Å; I272-Y331 HydrophobicContact CG1-CD1 4.34Å; I272-Y331 HydrophobicContact CG1-CD2 4.44Å; I272-Y331 HydrophobicContact CG1-CE1 4.23Å; I272-Y331 HydrophobicContact CG1-CE2 4.3Å; I272-Y331 HydrophobicContact CG1-CG 4.42Å |
| 273 | W | 98.3 | Very high | 96.7 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 19% | 0.189 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.2 | -43.2 | 173.6 | 170.8 | 83.9 | 0 | 0 | 0 | 111.6 | C269 E271 H275 L276 A277 V283 L285 V311 L397 L399 | C269-W273 VanDerWaalsContact O-CB 3.31Å; C269-W273 WeakPolarHBondContact O-CB 3.3Å; C269-W273 PolarHBondContact O-N 2.81Å; E271-W273 VanDerWaalsContact C-N 3.34Å; E271-W273 PolarHBondContact O-N 3.44Å; W273-H275 PolarHBondContact O-N 2.8Å; W273-L276 PolarHBondContact O-N 2.79Å; W273-A277 HydrophobicContact CZ2-CB 4.26Å; W273-A277 WeakPolarHBondContact O-CB 3.29Å; W273-A277 PolarHBondContact O-N 3.26Å; W273-V283 PolarHBondContact NE1-O 2.9Å; W273-L285 HydrophobicContact CB-CB 4.26Å; W273-L285 HydrophobicContact CB-CD1 4.04Å; W273-L285 HydrophobicContact CB-CD2 4.44Å; W273-L285 HydrophobicContact CB-CG 4.48Å; W273-L285 HydrophobicContact CG-CB 3.89Å; W273-L285 HydrophobicContact CG-CD2 4.35Å; W273-L285 HydrophobicContact CG-CG 4.49Å; W273-V311 HydrophobicContact CB-CG2 4.43Å; W273-L397 HydrophobicContact CZ3-CB 4.39Å; W273-L399 HydrophobicContact CE3-CD2 4.02Å; W273-L399 HydrophobicContact CE3-CG 4.05Å; W273-L399 HydrophobicContact CH2-CD2 3.65Å; W273-L399 HydrophobicContact CH2-CG 4.35Å; W273-L399 HydrophobicContact CZ2-CD2 4.28Å; W273-L399 HydrophobicContact CZ3-CD2 3.5Å; W273-L399 VanDerWaalsContact CZ3-CD2 3.5Å; W273-L399 HydrophobicContact CZ3-CG 3.7Å |
| 274 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | E270 E271 I272 A278 P396 L397 | E270-G274 PolarHBondContact O-N 3.41Å; E271-G274 WeakPolarHBondContact O-CA 3.21Å; E271-G274 PolarHBondContact O-N 2.99Å; I272-G274 VanDerWaalsContact C-N 3.28Å; I272-G274 PolarHBondContact O-N 3.09Å; G274-A278 VanDerWaalsContact O-CB 3.28Å; G274-A278 WeakPolarHBondContact O-CB 3.29Å; G274-A278 PolarHBondContact O-N 3.21Å; G274-A278 VanDerWaalsContact O-N 3.1Å; G274-P396 WeakPolarHBondContact O-CA 3.19Å; G274-L397 VanDerWaalsContact CA-O 3.23Å; G274-L397 WeakPolarHBondContact CA-O 3.46Å; G274-L397 PolarHBondContact O-N 3.26Å |
| 275 | H | 97.9 | Very high | 96.7 | Very high | 27 Ų | 27 | 41.3 Ų | 41.3 | 13% | 0.125 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.5 | -52.9 | 175 | -81.2 | -77.6 | 0 | 0 | 0 | 111.8 | M244 E271 I272 W273 A277 A278 D279 | M244-H275 HydrophobicContact CE-CB 3.58Å; M244-H275 HydrophobicContact CG-CB 4.09Å; M244-H275 HydrophobicContact SD-CB 3.7Å; E271-H275 PolarHBondContact O-CD2 3.04Å; E271-H275 VanDerWaalsContact O-CD2 3.28Å; E271-H275 PolarHBondContact O-N 2.92Å; I272-H275 PolarHBondContact O-N 3.27Å; W273-H275 PolarHBondContact O-N 2.8Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 3.43Å; H275-A278 WeakPolarHBondContact O-CB 3.47Å; H275-A278 PolarHBondContact O-N 3.33Å; H275-A278 VanDerWaalsContact O-N 3.12Å; H275-D279 PolarHBondContact O-N 3.37Å |
| 276 | L | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.7 | -38.4 | -177.2 | -66.2 | 174.4 | 0 | 0 | 0 | 112.4 | M244 Q248 I251 I261 I272 W273 D279 G280 H281 V283 I309 V311 | M244-L276 HydrophobicContact CE-CD2 4.14Å; M244-L276 HydrophobicContact CE-CG 4.24Å; Q248-L276 HydrophobicContact CG-CD2 3.73Å; I251-L276 HydrophobicContact CD1-CD2 3.85Å; I261-L276 HydrophobicContact CD1-CD1 3.44Å; I261-L276 VanDerWaalsContact CD1-CD1 3.44Å; I272-L276 HydrophobicContact CG2-CD1 3.88Å; I272-L276 HydrophobicContact CG2-CG 4.43Å; I272-L276 WeakPolarHBondContact O-CG 3.1Å; I272-L276 PolarHBondContact O-N 2.97Å; W273-L276 PolarHBondContact O-N 2.79Å; L276-D279 PolarHBondContact O-N 3.45Å; L276-G280 PolarHBondContact O-N 3.01Å; L276-H281 HydrophobicContact CB-CB 4.26Å; L276-H281 WeakPolarHBondContact O-CB 3.34Å; L276-H281 PolarHBondContact O-CD2 3.11Å; L276-H281 PolarHBondContact O-N 2.91Å; L276-V283 HydrophobicContact CB-CB 4.26Å; L276-V283 HydrophobicContact CB-CG1 3.93Å; L276-V283 HydrophobicContact CB-CG2 4.34Å; L276-V283 HydrophobicContact CD1-CG2 4.14Å; L276-I309 HydrophobicContact CD1-CD1 4.49Å; L276-I309 HydrophobicContact CD1-CG2 4.16Å; L276-V311 HydrophobicContact CD1-CG2 4.08Å |
| 277 | A | 97.3 | Very high | 96.6 | Very high | 24 Ų | 24 | 35 Ų | 35 | 20% | 0.198 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -70 | -33.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W273 H275 D279 G280 V283 L397 | W273-A277 HydrophobicContact CZ2-CB 4.26Å; W273-A277 WeakPolarHBondContact O-CB 3.29Å; W273-A277 PolarHBondContact O-N 3.26Å; H275-A277 VanDerWaalsContact C-N 3.32Å; H275-A277 PolarHBondContact O-N 3.43Å; A277-D279 VanDerWaalsContact C-N 3.27Å; A277-G280 PolarHBondContact O-N 3.29Å; A277-V283 HydrophobicContact CB-CG1 3.79Å; A277-L397 HydrophobicContact CB-CD1 3.87Å |
| 278 | A | 97.1 | Very high | 96.1 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.1 | -32.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G274 H275 G280 P394 K395 L397 | G274-A278 VanDerWaalsContact O-CB 3.28Å; G274-A278 WeakPolarHBondContact O-CB 3.29Å; G274-A278 PolarHBondContact O-N 3.21Å; G274-A278 VanDerWaalsContact O-N 3.1Å; H275-A278 WeakPolarHBondContact O-CB 3.47Å; H275-A278 PolarHBondContact O-N 3.33Å; H275-A278 VanDerWaalsContact O-N 3.12Å; A278-G280 PolarHBondContact O-N 2.86Å; A278-P394 HydrophobicContact CB-CB 3.91Å; A278-K395 VanDerWaalsContact CB-O 3.26Å; A278-K395 WeakPolarHBondContact CB-O 3.42Å; A278-L397 HydrophobicContact CB-CD2 4.5Å; A278-L397 HydrophobicContact CB-CG 3.98Å |
| 279 | D | 95.6 | Very high | 95.7 | Very high | 55 Ų | 55 | 34.1 Ų | 34.1 | 29% | 0.294 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 2.4 | 176.3 | -152.5 | 33.7 | 0 | 0 | 0 | 113.4 | Q248 H275 L276 A277 H281 P394 | Q248-D279 VanDerWaalsContact NE2-CB 3.3Å; Q248-D279 VanDerWaalsContact NE2-CG 3.28Å; Q248-D279 PolarHBondContact NE2-OD2 2.94Å; H275-D279 PolarHBondContact O-N 3.37Å; L276-D279 PolarHBondContact O-N 3.45Å; A277-D279 VanDerWaalsContact C-N 3.27Å; D279-H281 IonicContact OD2-CD2 3.75Å; D279-H281 IonicContact OD2-NE2 2.82Å; D279-P394 HydrophobicContact CB-CG 4.5Å |
| 280 | G | 95.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 35 Ų | 35 | 63% | 0.629 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85.4 | 5.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L276 A277 A278 | L276-G280 PolarHBondContact O-N 3.01Å; A277-G280 PolarHBondContact O-N 3.29Å; A278-G280 PolarHBondContact O-N 2.86Å |
| 281 | H | 96.9 | Very high | 94.8 | Very high | 49 Ų | 49 | 36.7 Ų | 36.7 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | trans | -65.9 | 144.7 | 174.6 | -64.3 | -74.8 | 0 | 0 | 0 | 111.9 | L276 D279 V283 I309 | L276-H281 HydrophobicContact CB-CB 4.26Å; L276-H281 WeakPolarHBondContact O-CB 3.34Å; L276-H281 PolarHBondContact O-CD2 3.11Å; L276-H281 PolarHBondContact O-N 2.91Å; D279-H281 IonicContact OD2-CD2 3.75Å; D279-H281 IonicContact OD2-NE2 2.82Å; H281-V283 VanDerWaalsContact C-N 3.28Å; H281-V283 PolarHBondContact O-N 2.72Å; H281-I309 HydrophobicContact CB-CD1 4.18Å | ||
| 282 | R | 96.9 | Very high | 94.3 | Very high | 118 Ų | 118 | 33.4 Ų | 33.4 | 45% | 0.445 | 21% | 0.211 | S | C | . | . | trans | -78.1 | 78.5 | 173 | -58.8 | -172.2 | -64.7 | 157.7 | -7.7 | 110.1 | G305 D306 L307 D308 I309 | R282-G305 PolarHBondContact NH1-O 2.92Å; R282-D306 WeakPolarHBondContact CD-O 3.35Å; R282-D306 PolarHBondContact NH1-O 2.69Å; R282-L307 HydrophobicContact CB-CD2 4.44Å; R282-L307 CarbonylContact O-C 3.6Å; R282-L307 WeakPolarHBondContact O-CA 3.11Å; R282-D308 IonicContact CZ-OD1 2.67Å; R282-D308 IonicContact CZ-OD2 4Å; R282-D308 IonicContact NE-OD1 3.92Å; R282-D308 IonicContact NE-OD2 3.07Å; R282-D308 PolarHBondContact NE-OD2 2.97Å; R282-D308 IonicContact NH2-OD1 3.74Å; R282-D308 PolarHBondContact NH2-OD1 3.23Å; R282-D308 IonicContact NH2-OD2 3.53Å; R282-D308 PolarHBondContact NH2-OD2 3.29Å; R282-D308 PolarHBondContact O-N 3.02Å; R282-I309 PolarHBondContact O-N 3.3Å | ||
| 283 | V | 97.9 | Very high | 93.8 | Very high | 14 Ų | 14 | 40.9 Ų | 40.9 | 9% | 0.085 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 129.2 | -170.4 | 64 | 0 | 0 | 0 | 0 | 113.6 | W273 L276 A277 H281 I309 V311 | W273-V283 PolarHBondContact NE1-O 2.9Å; L276-V283 HydrophobicContact CB-CB 4.26Å; L276-V283 HydrophobicContact CB-CG1 3.93Å; L276-V283 HydrophobicContact CB-CG2 4.34Å; L276-V283 HydrophobicContact CD1-CG2 4.14Å; A277-V283 HydrophobicContact CB-CG1 3.79Å; H281-V283 VanDerWaalsContact C-N 3.28Å; H281-V283 PolarHBondContact O-N 2.72Å; V283-I309 CarbonylContact C-O 3.58Å; V283-I309 WeakPolarHBondContact CA-O 3.42Å; V283-I309 HydrophobicContact CB-CB 4.22Å; V283-I309 HydrophobicContact CG2-CB 4Å; V283-I309 HydrophobicContact CG2-CG2 3.91Å; V283-V311 HydrophobicContact CG2-CG2 3.65Å |
| 284 | G | 96.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 44.2 Ų | 44.2 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 153.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I309 V311 | G284-I309 PolarHBondContact N-O 2.87Å; G284-V311 PolarHBondContact O-N 3.07Å |
| 285 | L | 96.5 | Very high | 93 | Very high | 12 Ų | 12 | 44.9 Ų | 44.9 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 124.5 | 176.8 | 178.6 | 65.9 | 0 | 0 | 0 | 110.6 | C269 E270 W273 T287 I298 V311 L399 | C269-L285 HydrophobicContact CB-CD1 3.73Å; C269-L285 WeakPolarHBondContact O-CD1 3.34Å; E270-L285 HydrophobicContact CG-CD2 4.07Å; W273-L285 HydrophobicContact CB-CB 4.26Å; W273-L285 HydrophobicContact CB-CD1 4.04Å; W273-L285 HydrophobicContact CB-CD2 4.44Å; W273-L285 HydrophobicContact CB-CG 4.48Å; W273-L285 HydrophobicContact CG-CB 3.89Å; W273-L285 HydrophobicContact CG-CD2 4.35Å; W273-L285 HydrophobicContact CG-CG 4.49Å; L285-T287 HydrophobicContact CD1-CG2 3.68Å; L285-T287 HydrophobicContact CG-CG2 4.07Å; L285-I298 VanDerWaalsContact O-CD1 3.27Å; L285-I298 WeakPolarHBondContact O-CD1 2.89Å; L285-V311 HydrophobicContact CD1-CB 4.24Å; L285-V311 HydrophobicContact CD1-CG1 4.32Å; L285-L399 HydrophobicContact CD2-CD1 3.67Å |
| 286 | L | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 97.3 | 176.6 | -68.5 | 175.2 | 0 | 0 | 0 | 110.4 | R295 I298 L299 L310 V311 A312 T313 A316 L320 | L286-R295 HydrophobicContact CD2-CB 4.13Å; L286-R295 HydrophobicContact CD2-CG 4.17Å; L286-I298 HydrophobicContact CD1-CG2 4.32Å; L286-I298 HydrophobicContact CD2-CB 4.06Å; L286-I298 HydrophobicContact CD2-CD1 4.34Å; L286-I298 HydrophobicContact CD2-CG2 3.82Å; L286-I298 HydrophobicContact CG-CG2 3.92Å; L286-L299 HydrophobicContact CD1-CD2 3.57Å; L286-L299 HydrophobicContact CD1-CG 4.01Å; L286-L310 HydrophobicContact CD1-CD1 4.04Å; L286-L310 HydrophobicContact CD1-CD2 4.12Å; L286-L310 HydrophobicContact CG-CD2 4.43Å; L286-V311 PolarHBondContact N-O 3.46Å; L286-A312 HydrophobicContact CB-CB 4.05Å; L286-A312 VanDerWaalsContact O-CA 3.28Å; L286-A312 WeakPolarHBondContact O-CA 2.98Å; L286-T313 PolarHBondContact O-N 3.38Å; L286-A316 HydrophobicContact CB-CB 4.39Å; L286-A316 WeakPolarHBondContact O-CB 3.42Å; L286-L320 HydrophobicContact CD1-CD1 4.11Å |
| 287 | T | 92.6 | Very high | 92.1 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | trans | -124.6 | 173.3 | 172.1 | 68.8 | 0 | 0 | 0 | 0 | 110.2 | K266 C269 L285 D289 V290 R295 T313 | K266-T287 HydrophobicContact CB-CG2 4.22Å; C269-T287 HydrophobicContact CB-CG2 3.63Å; L285-T287 HydrophobicContact CD1-CG2 3.68Å; L285-T287 HydrophobicContact CG-CG2 4.07Å; T287-D289 PolarHBondContact O-N 3.11Å; T287-V290 PolarHBondContact O-N 3.26Å; T287-R295 PolarHBondContact O-NH1 3.28Å; T287-T313 HydrophobicContact CG2-CG2 4.42Å | ||
| 288 | G | 84.6 | Confident | 91.9 | Very high | 62 Ų | 62 | 52.8 Ų | 52.8 | 64% | 0.639 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | V290 | G288-V290 VanDerWaalsContact C-N 3.34Š|
| 289 | D | 86.8 | Confident | 91.5 | Very high | 100 Ų | 100 | 52.5 Ų | 52.5 | 54% | 0.535 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.1 | -179 | -69.5 | -6.8 | 0 | 0 | 0 | 112.6 | K266 T287 A291 | K266-D289 WeakPolarHBondContact CD-OD2 3.47Å; K266-D289 IonicContact NZ-OD1 3.97Å; K266-D289 PolarHBondContact NZ-OD1 2.87Å; K266-D289 IonicContact NZ-OD2 3.65Å; K266-D289 PolarHBondContact NZ-OD2 3.49Å; T287-D289 PolarHBondContact O-N 3.11Å; D289-A291 PolarHBondContact O-N 3.23Å |
| 290 | V | 88.7 | Confident | 91.2 | Very high | 20 Ų | 20 | 53.4 Ų | 53.4 | 12% | 0.121 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -76 | 122.9 | 179.4 | -173.2 | 0 | 0 | 0 | 0 | 109.3 | T287 G288 K294 R295 I298 | T287-V290 PolarHBondContact O-N 3.26Å; G288-V290 VanDerWaalsContact C-N 3.34Å; V290-K294 HydrophobicContact CG1-CB 3.98Å; V290-K294 HydrophobicContact CG1-CD 4.04Å; V290-K294 HydrophobicContact CG1-CG 3.89Å; V290-R295 HydrophobicContact CB-CG 3.6Å; V290-R295 HydrophobicContact CG1-CB 4.48Å; V290-R295 HydrophobicContact CG1-CG 3.49Å; V290-R295 VanDerWaalsContact CG1-CG 3.49Å; V290-R295 WeakPolarHBondContact O-CD 3.36Å; V290-R295 WeakPolarHBondContact O-CG 3.29Å; V290-I298 HydrophobicContact CG1-CD1 4.26Å |
| 291 | A | 88.6 | Confident | 91.2 | Very high | 68 Ų | 68 | 52.2 Ų | 52.2 | 56% | 0.562 | 27% | 0.267 | S | S | * | . | trans | -59.6 | 144.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D289 K293 K294 R295 | D289-A291 PolarHBondContact O-N 3.23Å; A291-K293 PolarHBondContact O-N 3.3Å; A291-K294 CarbonylContact O-C 3.55Å; A291-K294 WeakPolarHBondContact O-CA 3.45Å; A291-K294 WeakPolarHBondContact O-CB 3.36Å; A291-K294 PolarHBondContact O-N 2.62Å; A291-R295 PolarHBondContact O-N 3.41Å | ||
| 292 | Q | 85.1 | Confident | 90.9 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 2% | 0.023 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -55.4 | -46.8 | -169.6 | -169.8 | 60.6 | 30.3 | 0 | 0 | 113.9 | R94 E95 Y119 D122 K294 R295 L296 | R94-Q292 VanDerWaalsContact CD-CD 3.47Å; E95-Q292 PolarHBondContact OE1-NE2 3.33Å; Y119-Q292 HydrophobicContact CD2-CG 4.36Å; Y119-Q292 HydrophobicContact CE2-CG 3.91Å; D122-Q292 HydrophobicContact CB-CB 4.18Å; D122-Q292 HydrophobicContact CB-CG 4.29Å; Q292-K294 PolarHBondContact O-N 3.04Å; Q292-R295 WeakPolarHBondContact O-CB 3.43Å; Q292-R295 PolarHBondContact O-N 3.45Å; Q292-R295 VanDerWaalsContact O-N 3.09Å; Q292-L296 PolarHBondContact O-N 2.99Å |
| 293 | K | 87.9 | Confident | 90.4 | Very high | 158 Ų | 158 | 47.4 Ų | 47.4 | 69% | 0.687 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -58.2 | -36.9 | 177.8 | -174.4 | 176.8 | -178.8 | 179.2 | 0 | 112.1 | A291 R297 | A291-K293 PolarHBondContact O-N 3.3Å; K293-R297 WeakPolarHBondContact O-CB 3.47Å; K293-R297 PolarHBondContact O-N 3.08Å |
| 294 | K | 91.3 | Very high | 90 | Very high | 120 Ų | 120 | 53.5 Ų | 53.5 | 52% | 0.522 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -73 | -39.3 | 175.8 | -175.3 | 175.4 | 178.3 | -176.8 | 0 | 111.3 | V290 A291 Q292 R297 I298 | V290-K294 HydrophobicContact CG1-CB 3.98Å; V290-K294 HydrophobicContact CG1-CD 4.04Å; V290-K294 HydrophobicContact CG1-CG 3.89Å; A291-K294 CarbonylContact O-C 3.55Å; A291-K294 WeakPolarHBondContact O-CA 3.45Å; A291-K294 WeakPolarHBondContact O-CB 3.36Å; A291-K294 PolarHBondContact O-N 2.62Å; Q292-K294 PolarHBondContact O-N 3.04Å; K294-R297 PolarHBondContact O-N 3.41Å; K294-I298 HydrophobicContact CG-CD1 3.95Å; K294-I298 HydrophobicContact CG-CG1 4.38Å; K294-I298 WeakPolarHBondContact O-CG1 3.31Å; K294-I298 PolarHBondContact O-N 3.15Å |
| 295 | R | 88.6 | Confident | 89.7 | Confident | 15 Ų | 15 | 54.5 Ų | 54.5 | 6% | 0.057 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 175 | -67.2 | 174.8 | 57 | 81.6 | 7.6 | 111.6 | E95 L286 T287 V290 A291 Q292 R297 I298 L299 A316 | E95-R295 IonicContact OE1-CZ 2.75Å; E95-R295 IonicContact OE1-NE 3.73Å; E95-R295 PolarHBondContact OE1-NE 2.98Å; E95-R295 IonicContact OE1-NH2 3.91Å; E95-R295 PolarHBondContact OE1-NH2 3.29Å; L286-R295 HydrophobicContact CD2-CB 4.13Å; L286-R295 HydrophobicContact CD2-CG 4.17Å; T287-R295 PolarHBondContact O-NH1 3.28Å; V290-R295 HydrophobicContact CB-CG 3.6Å; V290-R295 HydrophobicContact CG1-CB 4.48Å; V290-R295 HydrophobicContact CG1-CG 3.49Å; V290-R295 VanDerWaalsContact CG1-CG 3.49Å; V290-R295 WeakPolarHBondContact O-CD 3.36Å; V290-R295 WeakPolarHBondContact O-CG 3.29Å; A291-R295 PolarHBondContact O-N 3.41Å; Q292-R295 WeakPolarHBondContact O-CB 3.43Å; Q292-R295 PolarHBondContact O-N 3.45Å; Q292-R295 VanDerWaalsContact O-N 3.09Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.48Å; R295-I298 PolarHBondContact O-N 2.88Å; R295-L299 WeakPolarHBondContact O-CG 3.37Å; R295-L299 PolarHBondContact O-N 3.3Å; R295-A316 PolarHBondContact NH2-O 2.85Å |
| 296 | L | 86.6 | Confident | 89.6 | Confident | 46 Ų | 46 | 57.5 Ų | 57.5 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.3 | -43 | 177.4 | -68.1 | 176.7 | 0 | 0 | 0 | 111.7 | E95 V98 Q292 L299 D300 | E95-L296 HydrophobicContact CG-CD2 4.27Å; V98-L296 HydrophobicContact CG2-CD2 4.37Å; Q292-L296 PolarHBondContact O-N 2.99Å; L296-L299 PolarHBondContact O-N 3.27Å; L296-D300 WeakPolarHBondContact O-CB 3.5Å; L296-D300 PolarHBondContact O-N 2.98Å |
| 297 | R | 91.8 | Very high | 89.8 | Confident | 160 Ų | 160 | 58.5 Ų | 58.5 | 60% | 0.604 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 175.8 | 179.2 | 179.3 | 168 | 176.4 | -1.7 | 112.5 | K293 K294 R295 L299 D300 E301 | K293-R297 WeakPolarHBondContact O-CB 3.47Å; K293-R297 PolarHBondContact O-N 3.08Å; K294-R297 PolarHBondContact O-N 3.41Å; R295-R297 VanDerWaalsContact C-N 3.32Å; R295-R297 PolarHBondContact O-N 3.48Å; R297-L299 VanDerWaalsContact C-N 3.31Å; R297-L299 PolarHBondContact O-N 2.85Å; R297-D300 PolarHBondContact O-N 2.88Å; R297-E301 HydrophobicContact CG-CG 4.35Å; R297-E301 IonicContact CZ-OE1 3.34Å; R297-E301 VanDerWaalsContact CZ-OE1 3.24Å; R297-E301 IonicContact NE-OE1 3.7Å; R297-E301 PolarHBondContact NE-OE1 2.85Å; R297-E301 IonicContact NH2-OE1 2.62Å; R297-E301 PolarHBondContact NH2-OE1 2.87Å; R297-E301 WeakPolarHBondContact O-CB 3.47Å; R297-E301 WeakPolarHBondContact O-CG 3.35Å; R297-E301 PolarHBondContact O-N 2.68Å |
| 298 | I | 92.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 6% | 0.056 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.4 | -41 | 178.9 | -72.5 | 169.7 | 0 | 0 | 0 | 110.9 | L285 L286 V290 K294 R295 E301 F302 L307 L310 | L285-I298 VanDerWaalsContact O-CD1 3.27Å; L285-I298 WeakPolarHBondContact O-CD1 2.89Å; L286-I298 HydrophobicContact CD1-CG2 4.32Å; L286-I298 HydrophobicContact CD2-CB 4.06Å; L286-I298 HydrophobicContact CD2-CD1 4.34Å; L286-I298 HydrophobicContact CD2-CG2 3.82Å; L286-I298 HydrophobicContact CG-CG2 3.92Å; V290-I298 HydrophobicContact CG1-CD1 4.26Å; K294-I298 HydrophobicContact CG-CD1 3.95Å; K294-I298 HydrophobicContact CG-CG1 4.38Å; K294-I298 WeakPolarHBondContact O-CG1 3.31Å; K294-I298 PolarHBondContact O-N 3.15Å; R295-I298 PolarHBondContact O-N 2.88Å; I298-E301 PolarHBondContact O-N 3.4Å; I298-F302 WeakPolarHBondContact O-CB 3.39Å; I298-F302 PolarHBondContact O-N 2.78Å; I298-L307 HydrophobicContact CG2-CD1 4.05Å; I298-L310 HydrophobicContact CG2-CD2 3.51Å |
| 299 | L | 88.6 | Confident | 90.5 | Very high | 22 Ų | 22 | 57.7 Ų | 57.7 | 12% | 0.115 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -66.3 | -38.7 | 177.8 | -72.5 | 167.3 | 0 | 0 | 0 | 112.7 | E95 L286 R295 L296 R297 T303 L310 L320 I322 | E95-L299 HydrophobicContact CG-CD1 4.02Å; L286-L299 HydrophobicContact CD1-CD2 3.57Å; L286-L299 HydrophobicContact CD1-CG 4.01Å; R295-L299 WeakPolarHBondContact O-CG 3.37Å; R295-L299 PolarHBondContact O-N 3.3Å; L296-L299 PolarHBondContact O-N 3.27Å; R297-L299 VanDerWaalsContact C-N 3.31Å; R297-L299 PolarHBondContact O-N 2.85Å; L299-T303 VanDerWaalsContact O-CB 3.31Å; L299-T303 WeakPolarHBondContact O-CB 3.21Å; L299-T303 PolarHBondContact O-N 2.8Å; L299-T303 PolarHBondContact O-OG1 2.88Å; L299-L310 HydrophobicContact CD2-CD1 4.28Å; L299-L320 HydrophobicContact CD1-CD1 3.84Å; L299-L320 HydrophobicContact CD1-CD2 3.98Å; L299-L320 HydrophobicContact CD1-CG 4.49Å; L299-L320 HydrophobicContact CD2-CD1 3.67Å; L299-L320 HydrophobicContact CG-CD1 4.31Å; L299-I322 HydrophobicContact CD2-CG1 4.21Å |
| 300 | D | 89 | Confident | 91 | Very high | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.7 | -46.3 | 175.1 | 171.9 | 60.2 | 0 | 0 | 0 | 111.8 | L296 R297 F302 T303 R304 | L296-D300 WeakPolarHBondContact O-CB 3.5Å; L296-D300 PolarHBondContact O-N 2.98Å; R297-D300 PolarHBondContact O-N 2.88Å; D300-F302 PolarHBondContact O-N 2.77Å; D300-T303 PolarHBondContact O-N 2.8Å; D300-T303 VanDerWaalsContact O-N 3.11Å; D300-R304 PolarHBondContact O-N 2.67Å; D300-R304 IonicContact OD1-CZ 3.33Å; D300-R304 IonicContact OD1-NH1 2.64Å; D300-R304 PolarHBondContact OD1-NH1 3.26Å; D300-R304 IonicContact OD2-CZ 3.24Å; D300-R304 VanDerWaalsContact OD2-CZ 3.27Å; D300-R304 IonicContact OD2-NH1 2.74Å; D300-R304 PolarHBondContact OD2-NH1 3.03Å; D300-R304 IonicContact OD2-NH2 2.71Å; D300-R304 PolarHBondContact OD2-NH2 3.39Å |
| 301 | E | 94 | Very high | 91.4 | Very high | 36 Ų | 36 | 52 Ų | 52 | 17% | 0.168 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 173.1 | -75.4 | 173.1 | 172.4 | 0 | 0 | 111.6 | R297 I298 T303 R304 G305 D306 L307 | R297-E301 HydrophobicContact CG-CG 4.35Å; R297-E301 IonicContact CZ-OE1 3.34Å; R297-E301 VanDerWaalsContact CZ-OE1 3.24Å; R297-E301 IonicContact NE-OE1 3.7Å; R297-E301 PolarHBondContact NE-OE1 2.85Å; R297-E301 IonicContact NH2-OE1 2.62Å; R297-E301 PolarHBondContact NH2-OE1 2.87Å; R297-E301 WeakPolarHBondContact O-CB 3.47Å; R297-E301 WeakPolarHBondContact O-CG 3.35Å; R297-E301 PolarHBondContact O-N 2.68Å; I298-E301 PolarHBondContact O-N 3.4Å; E301-T303 VanDerWaalsContact C-N 3.33Å; E301-T303 PolarHBondContact O-N 2.8Å; E301-R304 PolarHBondContact O-N 3.23Å; E301-G305 PolarHBondContact O-N 2.89Å; E301-D306 HydrophobicContact CB-CB 3.98Å; E301-D306 HydrophobicContact CG-CB 4.34Å; E301-D306 WeakPolarHBondContact O-CB 3.45Å; E301-D306 PolarHBondContact O-N 3.24Å; E301-L307 HydrophobicContact CB-CD1 3.88Å; E301-L307 HydrophobicContact CB-CG 4.03Å; E301-L307 PolarHBondContact O-N 3.25Å |
| 302 | F | 92.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.5 | -37.1 | 174 | -174.6 | -106.2 | 0 | 0 | 0 | 112.8 | R258 I260 I298 D300 G305 L307 D308 L310 I322 V325 | R258-F302 HydrophobicContact CB-CE2 4.45Å; R258-F302 HydrophobicContact CB-CZ 4.08Å; R258-F302 HydrophobicContact CG-CE2 4.41Å; R258-F302 HydrophobicContact CG-CZ 4.34Å; I260-F302 HydrophobicContact CG1-CZ 4.47Å; I298-F302 WeakPolarHBondContact O-CB 3.39Å; I298-F302 PolarHBondContact O-N 2.78Å; D300-F302 PolarHBondContact O-N 2.77Å; F302-G305 PolarHBondContact O-N 2.87Å; F302-L307 HydrophobicContact CB-CB 4.33Å; F302-L307 HydrophobicContact CD2-CB 4.13Å; F302-L307 VanDerWaalsContact CD2-O 3.32Å; F302-L307 WeakPolarHBondContact CD2-O 2.95Å; F302-D308 WeakPolarHBondContact CE2-O 3.45Å; F302-L310 HydrophobicContact CB-CD1 3.91Å; F302-L310 HydrophobicContact CB-CD2 4.1Å; F302-L310 HydrophobicContact CB-CG 4.05Å; F302-L310 HydrophobicContact CD1-CD1 3.4Å; F302-L310 VanDerWaalsContact CD1-CD1 3.4Å; F302-L310 HydrophobicContact CD1-CG 4Å; F302-L310 HydrophobicContact CD2-CD1 3.88Å; F302-L310 HydrophobicContact CD2-CD2 4.16Å; F302-L310 HydrophobicContact CD2-CG 3.48Å; F302-L310 VanDerWaalsContact CD2-CG 3.48Å; F302-L310 HydrophobicContact CE1-CD1 3.79Å; F302-L310 HydrophobicContact CE1-CG 4.31Å; F302-L310 HydrophobicContact CE2-CB 4.43Å; F302-L310 HydrophobicContact CE2-CD1 4.19Å; F302-L310 HydrophobicContact CE2-CG 3.78Å; F302-L310 HydrophobicContact CG-CD1 3.44Å; F302-L310 VanDerWaalsContact CG-CD1 3.44Å; F302-L310 HydrophobicContact CG-CD2 4.15Å; F302-L310 HydrophobicContact CG-CG 3.56Å; F302-L310 HydrophobicContact CZ-CD1 4.14Å; F302-L310 HydrophobicContact CZ-CG 4.18Å; F302-I322 HydrophobicContact CD1-CG2 3.71Å; F302-I322 HydrophobicContact CE1-CG2 3.34Å; F302-I322 HydrophobicContact CZ-CG2 4.44Å; F302-V325 HydrophobicContact CE1-CG1 3.69Å; F302-V325 HydrophobicContact CZ-CG1 3.58Å |
| 303 | T | 86.5 | Confident | 92.2 | Very high | 67 Ų | 67 | 49.1 Ų | 49.1 | 41% | 0.411 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -67.1 | -39.3 | -179.7 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | R258 L299 D300 E301 G305 P323 | R258-T303 PolarHBondContact NH1-O 2.98Å; L299-T303 VanDerWaalsContact O-CB 3.31Å; L299-T303 WeakPolarHBondContact O-CB 3.21Å; L299-T303 PolarHBondContact O-N 2.8Å; L299-T303 PolarHBondContact O-OG1 2.88Å; D300-T303 PolarHBondContact O-N 2.8Å; D300-T303 VanDerWaalsContact O-N 3.11Å; E301-T303 VanDerWaalsContact C-N 3.33Å; E301-T303 PolarHBondContact O-N 2.8Å; T303-G305 VanDerWaalsContact C-N 3.28Å; T303-G305 PolarHBondContact O-N 2.77Å; T303-P323 HydrophobicContact CG2-CG 3.68Å; T303-P323 WeakPolarHBondContact OG1-CD 3.27Å; T303-P323 WeakPolarHBondContact OG1-CG 3.41Å |
| 304 | R | 89.4 | Confident | 92 | Very high | 142 Ų | 142 | 42.3 Ų | 42.3 | 54% | 0.536 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -75.5 | -12.2 | 175.3 | -69.9 | -162.9 | -59.7 | -96.5 | -11.9 | 114.4 | D300 E301 D306 | D300-R304 PolarHBondContact O-N 2.67Å; D300-R304 IonicContact OD1-CZ 3.33Å; D300-R304 IonicContact OD1-NH1 2.64Å; D300-R304 PolarHBondContact OD1-NH1 3.26Å; D300-R304 IonicContact OD2-CZ 3.24Å; D300-R304 VanDerWaalsContact OD2-CZ 3.27Å; D300-R304 IonicContact OD2-NH1 2.74Å; D300-R304 PolarHBondContact OD2-NH1 3.03Å; D300-R304 IonicContact OD2-NH2 2.71Å; D300-R304 PolarHBondContact OD2-NH2 3.39Å; E301-R304 PolarHBondContact O-N 3.23Å; R304-D306 IonicContact CZ-OD2 2.66Å; R304-D306 IonicContact NE-OD2 3.91Å; R304-D306 PolarHBondContact NE-OD2 2.86Å; R304-D306 IonicContact NH2-OD2 3.27Å; R304-D306 PolarHBondContact NH2-OD2 2.92Å |
| 305 | G | 90.3 | Very high | 91.2 | Very high | 24 Ų | 24 | 41 Ų | 41 | 25% | 0.247 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81 | 19.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R282 E301 F302 T303 | R282-G305 PolarHBondContact NH1-O 2.92Å; E301-G305 PolarHBondContact O-N 2.89Å; F302-G305 PolarHBondContact O-N 2.87Å; T303-G305 VanDerWaalsContact C-N 3.28Å; T303-G305 PolarHBondContact O-N 2.77Å |
| 306 | D | 94.4 | Very high | 90.5 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 40% | 0.401 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -70.1 | -29.5 | 168.3 | -58.7 | -38 | 0 | 0 | 0 | 110.2 | R282 E301 R304 | R282-D306 WeakPolarHBondContact CD-O 3.35Å; R282-D306 PolarHBondContact NH1-O 2.69Å; E301-D306 HydrophobicContact CB-CB 3.98Å; E301-D306 HydrophobicContact CG-CB 4.34Å; E301-D306 WeakPolarHBondContact O-CB 3.45Å; E301-D306 PolarHBondContact O-N 3.24Å; R304-D306 IonicContact CZ-OD2 2.66Å; R304-D306 IonicContact NE-OD2 3.91Å; R304-D306 PolarHBondContact NE-OD2 2.86Å; R304-D306 IonicContact NH2-OD2 3.27Å; R304-D306 PolarHBondContact NH2-OD2 2.92Å |
| 307 | L | 95.8 | Very high | 89.8 | Confident | 22 Ų | 22 | 38.3 Ų | 38.3 | 12% | 0.115 | 19% | 0.193 | C | C | . | . | trans | -116 | 139 | 170.8 | -59.9 | 171.1 | 0 | 0 | 0 | 110.1 | R282 I298 E301 F302 | R282-L307 HydrophobicContact CB-CD2 4.44Å; R282-L307 CarbonylContact O-C 3.6Å; R282-L307 WeakPolarHBondContact O-CA 3.11Å; I298-L307 HydrophobicContact CG2-CD1 4.05Å; E301-L307 HydrophobicContact CB-CD1 3.88Å; E301-L307 HydrophobicContact CB-CG 4.03Å; E301-L307 PolarHBondContact O-N 3.25Å; F302-L307 HydrophobicContact CB-CB 4.33Å; F302-L307 HydrophobicContact CD2-CB 4.13Å; F302-L307 VanDerWaalsContact CD2-O 3.32Å; F302-L307 WeakPolarHBondContact CD2-O 2.95Å | ||
| 308 | D | 95 | Very high | 88.7 | Confident | 43 Ų | 43 | 32.2 Ų | 32.2 | 23% | 0.23 | 17% | 0.17 | C | C | . | . | S | Bend | trans | -96.2 | -28.8 | 178.5 | -61.2 | -40.8 | 0 | 0 | 0 | 112.1 | R258 A259 R282 F302 | R258-D308 CarbonylContact C-O 3.59Å; R258-D308 VanDerWaalsContact CA-O 3.31Å; R258-D308 WeakPolarHBondContact CA-O 3.43Å; A259-D308 PolarHBondContact N-O 3.44Å; R282-D308 IonicContact CZ-OD1 2.67Å; R282-D308 IonicContact CZ-OD2 4Å; R282-D308 IonicContact NE-OD1 3.92Å; R282-D308 IonicContact NE-OD2 3.07Å; R282-D308 PolarHBondContact NE-OD2 2.97Å; R282-D308 IonicContact NH2-OD1 3.74Å; R282-D308 PolarHBondContact NH2-OD1 3.23Å; R282-D308 IonicContact NH2-OD2 3.53Å; R282-D308 PolarHBondContact NH2-OD2 3.29Å; R282-D308 PolarHBondContact O-N 3.02Å; F302-D308 WeakPolarHBondContact CE2-O 3.45Å |
| 309 | I | 97.7 | Very high | 87.1 | Confident | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 134.5 | -172.8 | -55 | 179 | 0 | 0 | 0 | 109.9 | I251 A259 I261 L276 H281 R282 V283 G284 | I251-I309 HydrophobicContact CD1-CD1 4.25Å; I251-I309 HydrophobicContact CG2-CD1 4.44Å; A259-I309 HydrophobicContact CB-CG1 4.42Å; A259-I309 WeakPolarHBondContact O-CA 3.34Å; I261-I309 HydrophobicContact CD1-CG2 3.46Å; I261-I309 VanDerWaalsContact CD1-CG2 3.46Å; I261-I309 HydrophobicContact CG1-CG2 3.91Å; L276-I309 HydrophobicContact CD1-CD1 4.49Å; L276-I309 HydrophobicContact CD1-CG2 4.16Å; H281-I309 HydrophobicContact CB-CD1 4.18Å; R282-I309 PolarHBondContact O-N 3.3Å; V283-I309 CarbonylContact C-O 3.58Å; V283-I309 WeakPolarHBondContact CA-O 3.42Å; V283-I309 HydrophobicContact CB-CB 4.22Å; V283-I309 HydrophobicContact CG2-CB 4Å; V283-I309 HydrophobicContact CG2-CG2 3.91Å; G284-I309 PolarHBondContact N-O 2.87Å |
| 310 | L | 96.6 | Very high | 85.9 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127 | 164.7 | -73 | 176.8 | 0 | 0 | 0 | 110.6 | A259 I260 I261 L286 I298 L299 F302 I322 | A259-L310 PolarHBondContact O-N 2.85Å; I260-L310 CarbonylContact C-O 3.57Å; I260-L310 WeakPolarHBondContact CA-O 3.37Å; I260-L310 HydrophobicContact CG1-CB 4.48Å; I260-L310 HydrophobicContact CG2-CB 4.46Å; I261-L310 PolarHBondContact N-O 2.98Å; L286-L310 HydrophobicContact CD1-CD1 4.04Å; L286-L310 HydrophobicContact CD1-CD2 4.12Å; L286-L310 HydrophobicContact CG-CD2 4.43Å; I298-L310 HydrophobicContact CG2-CD2 3.51Å; L299-L310 HydrophobicContact CD2-CD1 4.28Å; F302-L310 HydrophobicContact CB-CD1 3.91Å; F302-L310 HydrophobicContact CB-CD2 4.1Å; F302-L310 HydrophobicContact CB-CG 4.05Å; F302-L310 HydrophobicContact CD1-CD1 3.4Å; F302-L310 VanDerWaalsContact CD1-CD1 3.4Å; F302-L310 HydrophobicContact CD1-CG 4Å; F302-L310 HydrophobicContact CD2-CD1 3.88Å; F302-L310 HydrophobicContact CD2-CD2 4.16Å; F302-L310 HydrophobicContact CD2-CG 3.48Å; F302-L310 VanDerWaalsContact CD2-CG 3.48Å; F302-L310 HydrophobicContact CE1-CD1 3.79Å; F302-L310 HydrophobicContact CE1-CG 4.31Å; F302-L310 HydrophobicContact CE2-CB 4.43Å; F302-L310 HydrophobicContact CE2-CD1 4.19Å; F302-L310 HydrophobicContact CE2-CG 3.78Å; F302-L310 HydrophobicContact CG-CD1 3.44Å; F302-L310 VanDerWaalsContact CG-CD1 3.44Å; F302-L310 HydrophobicContact CG-CD2 4.15Å; F302-L310 HydrophobicContact CG-CG 3.56Å; F302-L310 HydrophobicContact CZ-CD1 4.14Å; F302-L310 HydrophobicContact CZ-CG 4.18Å; L310-I322 HydrophobicContact CD1-CD1 4.44Å; L310-I322 HydrophobicContact CD1-CG2 4.29Å |
| 311 | V | 98.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 124.2 | 167.3 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | I261 C269 I272 W273 L276 V283 G284 L285 L286 | I261-V311 HydrophobicContact CB-CG2 4.35Å; I261-V311 HydrophobicContact CD1-CG2 4.35Å; I261-V311 CarbonylContact O-C 3.56Å; I261-V311 WeakPolarHBondContact O-CA 3.32Å; C269-V311 HydrophobicContact CB-CG1 3.83Å; C269-V311 WeakPolarHBondContact O-CG1 3.22Å; I272-V311 HydrophobicContact CB-CG1 4.04Å; I272-V311 HydrophobicContact CG2-CG1 4.05Å; I272-V311 HydrophobicContact CG2-CG2 3.84Å; W273-V311 HydrophobicContact CB-CG2 4.43Å; L276-V311 HydrophobicContact CD1-CG2 4.08Å; V283-V311 HydrophobicContact CG2-CG2 3.65Å; G284-V311 PolarHBondContact O-N 3.07Å; L285-V311 HydrophobicContact CD1-CB 4.24Å; L285-V311 HydrophobicContact CD1-CG1 4.32Å; L286-V311 PolarHBondContact N-O 3.46Å |
| 312 | A | 95.7 | Very high | 83.5 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.008 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 149.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | I261 F262 A263 L286 A317 | I261-A312 PolarHBondContact O-N 2.95Å; F262-A312 VanDerWaalsContact CA-O 3.32Å; F262-A312 WeakPolarHBondContact CA-O 3.35Å; F262-A312 HydrophobicContact CE1-CB 4.47Å; A263-A312 PolarHBondContact N-O 2.9Å; L286-A312 HydrophobicContact CB-CB 4.05Å; L286-A312 VanDerWaalsContact O-CA 3.28Å; L286-A312 WeakPolarHBondContact O-CA 2.98Å; A312-A317 HydrophobicContact CB-CB 3.97Å |
| 313 | T | 93.5 | Very high | 82.4 | Confident | 12 Ų | 12 | 32 Ų | 32 | 7% | 0.074 | 17% | 0.168 | C | C | . | . | trans | -83.1 | 155 | 162 | 58.7 | 0 | 0 | 0 | 0 | 110 | A263 C269 L286 T287 V315 A316 A317 | A263-T313 WeakPolarHBondContact O-CA 3.02Å; C269-T313 VanDerWaalsContact SG-CG2 3.5Å; L286-T313 PolarHBondContact O-N 3.38Å; T287-T313 HydrophobicContact CG2-CG2 4.42Å; T313-V315 VanDerWaalsContact C-N 3.31Å; T313-V315 PolarHBondContact O-N 3.3Å; T313-A316 WeakPolarHBondContact O-CA 3.4Å; T313-A316 WeakPolarHBondContact O-CB 3.48Å; T313-A316 PolarHBondContact O-N 2.91Å; T313-A316 WeakPolarHBondContact OG1-CB 3.33Å; T313-A316 PolarHBondContact OG1-N 3.36Å; T313-A317 PolarHBondContact O-N 3.21Å | ||
| 314 | D | 84.8 | Confident | 81.8 | Confident | 15 Ų | 15 | 30.9 Ų | 30.9 | 8% | 0.08 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -51.7 | -49.6 | 175.2 | -60 | -76.5 | 0 | 0 | 0 | 112.5 | A316 A317 R318 R343 | D314-A316 PolarHBondContact O-N 3.14Å; D314-A316 VanDerWaalsContact O-N 3.12Å; D314-A317 PolarHBondContact O-N 3.3Å; D314-R318 WeakPolarHBondContact O-CB 3.28Å; D314-R318 WeakPolarHBondContact O-CD 3.39Å; D314-R318 WeakPolarHBondContact O-CG 3.27Å; D314-R318 PolarHBondContact O-N 3.48Å; D314-R343 IonicContact OD1-CZ 3.9Å; D314-R343 IonicContact OD1-NE 2.87Å; D314-R343 PolarHBondContact OD1-NE 3.02Å; D314-R343 IonicContact OD1-NH2 3.38Å; D314-R343 PolarHBondContact OD1-NH2 3.31Å; D314-R343 IonicContact OD2-CZ 2.93Å; D314-R343 IonicContact OD2-NE 2.71Å; D314-R343 IonicContact OD2-NH2 3.16Å; D314-R343 PolarHBondContact OD2-NH2 2.89Å |
| 315 | V | 73.9 | Confident | 81.8 | Confident | 91 Ų | 91 | 24.3 Ų | 24.3 | 55% | 0.552 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -55.7 | -36.1 | -179.6 | 178.3 | 0 | 0 | 0 | 0 | 111.6 | T313 | T313-V315 VanDerWaalsContact C-N 3.31Å; T313-V315 PolarHBondContact O-N 3.3Å |
| 316 | A | 73.6 | Confident | 81.9 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.017 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -81.6 | -24.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L286 R295 T313 D314 L320 | L286-A316 HydrophobicContact CB-CB 4.39Å; L286-A316 WeakPolarHBondContact O-CB 3.42Å; R295-A316 PolarHBondContact NH2-O 2.85Å; T313-A316 WeakPolarHBondContact O-CA 3.4Å; T313-A316 WeakPolarHBondContact O-CB 3.48Å; T313-A316 PolarHBondContact O-N 2.91Å; T313-A316 WeakPolarHBondContact OG1-CB 3.33Å; T313-A316 PolarHBondContact OG1-N 3.36Å; D314-A316 PolarHBondContact O-N 3.14Å; D314-A316 VanDerWaalsContact O-N 3.12Å; A316-L320 VanDerWaalsContact O-CD1 3.29Å; A316-L320 WeakPolarHBondContact O-CD1 3.31Å |
| 317 | A | 71.4 | Confident | 82 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 3% | 0.025 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -102.3 | -15 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | F262 A312 T313 D314 L320 | F262-A317 HydrophobicContact CD1-CB 4.49Å; F262-A317 HydrophobicContact CE1-CB 3.44Å; F262-A317 VanDerWaalsContact CE1-CB 3.44Å; F262-A317 HydrophobicContact CZ-CB 4.04Å; A312-A317 HydrophobicContact CB-CB 3.97Å; T313-A317 PolarHBondContact O-N 3.21Å; D314-A317 PolarHBondContact O-N 3.3Å; A317-L320 VanDerWaalsContact O-CB 3.31Å; A317-L320 WeakPolarHBondContact O-CB 3.41Å; A317-L320 VanDerWaalsContact O-CG 3.29Å; A317-L320 WeakPolarHBondContact O-CG 3.36Å; A317-L320 PolarHBondContact O-N 2.71Å |
| 318 | R | 69.3 | Low | 82 | Confident | 32 Ų | 32 | 21.5 Ų | 21.5 | 12% | 0.121 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 145.4 | 177 | -78.1 | 164.5 | 165.6 | 166.7 | -26 | 111.3 | R169 D314 L320 D339 | R169-R318 VanDerWaalsContact NH2-CZ 3.28Å; D314-R318 WeakPolarHBondContact O-CB 3.28Å; D314-R318 WeakPolarHBondContact O-CD 3.39Å; D314-R318 WeakPolarHBondContact O-CG 3.27Å; D314-R318 PolarHBondContact O-N 3.48Å; R318-L320 PolarHBondContact O-N 2.87Å; R318-L320 VanDerWaalsContact O-N 3.08Å; R318-D339 IonicContact CZ-OD1 3.52Å; R318-D339 IonicContact CZ-OD2 2.67Å; R318-D339 IonicContact NE-OD1 2.87Å; R318-D339 PolarHBondContact NE-OD1 3.22Å; R318-D339 IonicContact NE-OD2 2.97Å; R318-D339 IonicContact NH1-OD2 2.69Å; R318-D339 IonicContact NH2-OD1 3.3Å; R318-D339 PolarHBondContact NH2-OD1 2.87Å; R318-D339 IonicContact NH2-OD2 3.54Å; R318-D339 PolarHBondContact NH2-OD2 2.93Å |
| 319 | G | 59.3 | Low | 82.2 | Confident | 3 Ų | 3 | 19.6 Ų | 19.6 | 3% | 0.031 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 2.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | L96 | L96-G319 WeakPolarHBondContact CB-O 3.37Š|
| 320 | L | 64.5 | Low | 82.2 | Confident | 5 Ų | 5 | 19.4 Ų | 19.4 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | trans | -83.7 | 122.1 | 175.9 | -55.2 | -166.1 | 0 | 0 | 0 | 109.9 | E95 L286 L299 A316 A317 R318 I322 R346 | E95-L320 HydrophobicContact CB-CD2 3.03Å; E95-L320 HydrophobicContact CG-CD2 3.25Å; L286-L320 HydrophobicContact CD1-CD1 4.11Å; L299-L320 HydrophobicContact CD1-CD1 3.84Å; L299-L320 HydrophobicContact CD1-CD2 3.98Å; L299-L320 HydrophobicContact CD1-CG 4.49Å; L299-L320 HydrophobicContact CD2-CD1 3.67Å; L299-L320 HydrophobicContact CG-CD1 4.31Å; A316-L320 VanDerWaalsContact O-CD1 3.29Å; A316-L320 WeakPolarHBondContact O-CD1 3.31Å; A317-L320 VanDerWaalsContact O-CB 3.31Å; A317-L320 WeakPolarHBondContact O-CB 3.41Å; A317-L320 VanDerWaalsContact O-CG 3.29Å; A317-L320 WeakPolarHBondContact O-CG 3.36Å; A317-L320 PolarHBondContact O-N 2.71Å; R318-L320 PolarHBondContact O-N 2.87Å; R318-L320 VanDerWaalsContact O-N 3.08Å; L320-I322 HydrophobicContact CB-CD1 4.12Å; L320-I322 HydrophobicContact CB-CG1 3.65Å; L320-I322 HydrophobicContact CD1-CD1 4.2Å; L320-I322 HydrophobicContact CD1-CG1 4.3Å; L320-I322 PolarHBondContact O-N 3.24Å; L320-R346 PolarHBondContact O-NH1 2.87Å | ||
| 321 | H | 62.2 | Low | 82.3 | Confident | 109 Ų | 109 | 19.8 Ų | 19.8 | 51% | 0.505 | 11% | 0.112 | S | C | . | . | trans | -74.8 | 83.2 | 156.7 | -175.3 | -83.6 | 0 | 0 | 0 | 109.6 | Q99 | Q99-H321 HydrophobicContact CG-CB 4.21Š| ||
| 322 | I | 69.1 | Low | 82.3 | Confident | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | P | Polyproline II helix | trans | -75.4 | 133.9 | 165.2 | -53.7 | 174.3 | 0 | 0 | 0 | 106.6 | I260 L299 F302 L310 L320 V325 R349 | I260-I322 HydrophobicContact CD1-CB 4.22Å; I260-I322 HydrophobicContact CD1-CD1 3.61Å; I260-I322 HydrophobicContact CD1-CG2 3.78Å; L299-I322 HydrophobicContact CD2-CG1 4.21Å; F302-I322 HydrophobicContact CD1-CG2 3.71Å; F302-I322 HydrophobicContact CE1-CG2 3.34Å; F302-I322 HydrophobicContact CZ-CG2 4.44Å; L310-I322 HydrophobicContact CD1-CD1 4.44Å; L310-I322 HydrophobicContact CD1-CG2 4.29Å; L320-I322 HydrophobicContact CB-CD1 4.12Å; L320-I322 HydrophobicContact CB-CG1 3.65Å; L320-I322 HydrophobicContact CD1-CD1 4.2Å; L320-I322 HydrophobicContact CD1-CG1 4.3Å; L320-I322 PolarHBondContact O-N 3.24Å; I322-V325 HydrophobicContact CG2-CG1 4.27Å; I322-R349 PolarHBondContact O-NH1 2.97Å |
| 323 | P | 68.8 | Low | 82.4 | Confident | 19 Ų | 19 | 19.9 Ų | 19.9 | 12% | 0.123 | 11% | 0.112 | C | C | . | . | P | Polyproline II helix | trans | -50.4 | 152.8 | 171.6 | -27.9 | 37 | 0 | 0 | 0 | 111.2 | T303 V325 | T303-P323 HydrophobicContact CG2-CG 3.68Å; T303-P323 WeakPolarHBondContact OG1-CD 3.27Å; T303-P323 WeakPolarHBondContact OG1-CG 3.41Å; P323-V325 WeakPolarHBondContact O-CG1 3.4Å; P323-V325 PolarHBondContact O-N 2.8Å; P323-V325 VanDerWaalsContact O-N 3.11Å |
| 324 | A | 74.5 | Confident | 82.5 | Confident | 45 Ų | 45 | 19.3 Ų | 19.3 | 37% | 0.372 | 11% | 0.109 | S | C | . | . | P | Polyproline II helix | trans | -53.5 | 123.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | R349 | A324-R349 HydrophobicContact CB-CB 3.95Š|
| 325 | V | 89.6 | Confident | 82.8 | Confident | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.024 | 13% | 0.134 | C | C | . | . | P | Polyproline II helix | trans | -99.5 | 156.1 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 109 | R258 I260 F302 I322 P323 H327 V328 R346 T347 | R258-V325 HydrophobicContact CB-CB 4.3Å; R258-V325 HydrophobicContact CB-CG1 4.25Å; R258-V325 WeakPolarHBondContact O-CB 3.33Å; I260-V325 HydrophobicContact CD1-CG1 3.96Å; I260-V325 HydrophobicContact CD1-CG2 4.14Å; I260-V325 HydrophobicContact CG1-CB 4.47Å; I260-V325 HydrophobicContact CG1-CG1 3.83Å; I260-V325 HydrophobicContact CG1-CG2 4.14Å; F302-V325 HydrophobicContact CE1-CG1 3.69Å; F302-V325 HydrophobicContact CZ-CG1 3.58Å; I322-V325 HydrophobicContact CG2-CG1 4.27Å; P323-V325 WeakPolarHBondContact O-CG1 3.4Å; P323-V325 PolarHBondContact O-N 2.8Å; P323-V325 VanDerWaalsContact O-N 3.11Å; V325-H327 VanDerWaalsContact CG2-O 3.29Å; V325-H327 WeakPolarHBondContact CG2-O 3.32Å; V325-V328 HydrophobicContact CG2-CG2 3.87Å; V325-R346 HydrophobicContact CG2-CB 4.1Å; V325-R346 PolarHBondContact N-O 3.46Å; V325-T347 WeakPolarHBondContact O-CA 3.45Å; V325-T347 WeakPolarHBondContact O-CB 3.48Å; V325-T347 PolarHBondContact O-OG1 3.41Å |
| 326 | T | 92.6 | Very high | 83.4 | Confident | 41 Ų | 41 | 22.7 Ų | 22.7 | 25% | 0.252 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -78.1 | -38.4 | 175.4 | 53.7 | 0 | 0 | 0 | 0 | 110 | D257 R258 T347 H355 | D257-T326 HydrophobicContact CB-CG2 3.92Å; D257-T326 PolarHBondContact N-OG1 3.18Å; R258-T326 PolarHBondContact N-OG1 2.81Å; R258-T326 PolarHBondContact O-N 3.15Å; R258-T326 PolarHBondContact O-OG1 3.05Å; T326-T347 PolarHBondContact O-OG1 3.49Å; T326-H355 PolarHBondContact O-N 2.98Å |
| 327 | H | 96 | Very high | 83.9 | Confident | 20 Ų | 20 | 24 Ų | 24 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 142.1 | -174.4 | -65.5 | 71.3 | 0 | 0 | 0 | 113.4 | E254 P256 R258 A259 I260 V325 F329 H355 | E254-H327 IonicContact OE2-NE2 3.6Å; E254-H327 PolarHBondContact OE2-NE2 3.4Å; P256-H327 HydrophobicContact CB-CB 3.83Å; P256-H327 VanDerWaalsContact CB-ND1 3.29Å; P256-H327 WeakPolarHBondContact CB-ND1 3.31Å; R258-H327 PolarHBondContact O-N 2.92Å; R258-H327 VanDerWaalsContact O-N 3.14Å; A259-H327 VanDerWaalsContact CA-O 3.27Å; A259-H327 WeakPolarHBondContact CA-O 3.29Å; A259-H327 HydrophobicContact CB-CB 4.13Å; I260-H327 PolarHBondContact N-O 3.13Å; V325-H327 VanDerWaalsContact CG2-O 3.29Å; V325-H327 WeakPolarHBondContact CG2-O 3.32Å; H327-F329 HydrophobicContact CB-CD2 4.33Å; H327-F329 HydrophobicContact CB-CE2 3.69Å; H327-F329 HydrophobicContact CB-CZ 4.22Å; H327-H355 CarbonylContact C-O 3.55Å; H327-H355 VanDerWaalsContact CA-O 3.31Å; H327-H355 WeakPolarHBondContact CA-O 3.38Å; H327-H355 AromaticContact CD2-CG 3.96Å; H327-H355 AromaticContact CD2-ND1 3.81Å; H327-H355 AromaticContact NE2-ND1 3.67Å |
| 328 | V | 96.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 123.9 | 166.6 | 175.1 | 0 | 0 | 0 | 0 | 107.6 | I260 F262 V325 R343 R346 T347 H355 S356 I357 | I260-V328 CarbonylContact O-C 3.52Å; I260-V328 WeakPolarHBondContact O-CA 3.43Å; F262-V328 HydrophobicContact CD2-CG1 3.86Å; F262-V328 HydrophobicContact CE2-CG1 3.96Å; V325-V328 HydrophobicContact CG2-CG2 3.87Å; V328-R343 HydrophobicContact CG1-CB 4.36Å; V328-R343 WeakPolarHBondContact CG2-O 3.38Å; V328-R346 HydrophobicContact CG2-CB 3.91Å; V328-T347 HydrophobicContact CB-CG2 4.44Å; V328-T347 HydrophobicContact CG2-CG2 3.88Å; V328-H355 PolarHBondContact N-O 3.43Å; V328-S356 CarbonylContact O-C 3.54Å; V328-S356 WeakPolarHBondContact O-CA 3.32Å; V328-I357 PolarHBondContact O-N 3.33Å |
| 329 | F | 98.5 | Very high | 85.2 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 112.7 | 173 | -63.3 | -89.2 | 0 | 0 | 0 | 109 | L247 L250 I251 P256 A259 I260 I261 F262 H327 Y331 I357 | L247-F329 HydrophobicContact CD1-CB 4.01Å; L247-F329 HydrophobicContact CD1-CD1 3.77Å; L247-F329 HydrophobicContact CD1-CD2 4.49Å; L247-F329 HydrophobicContact CD1-CE1 4.35Å; L247-F329 HydrophobicContact CD1-CG 3.84Å; L250-F329 HydrophobicContact CB-CE1 4.14Å; I251-F329 HydrophobicContact CG1-CE2 4.16Å; I251-F329 HydrophobicContact CG1-CZ 3.97Å; P256-F329 HydrophobicContact CG-CE2 4.43Å; A259-F329 HydrophobicContact CB-CD2 4.1Å; A259-F329 HydrophobicContact CB-CE2 3.87Å; I260-F329 PolarHBondContact O-N 2.74Å; I261-F329 CarbonylContact C-O 3.55Å; I261-F329 WeakPolarHBondContact CA-O 3.45Å; I261-F329 HydrophobicContact CB-CB 4.36Å; I261-F329 HydrophobicContact CG1-CB 4.04Å; I261-F329 HydrophobicContact CG1-CD2 4.02Å; I261-F329 HydrophobicContact CG1-CG 4.36Å; I261-F329 HydrophobicContact CG2-CB 4.2Å; F262-F329 PolarHBondContact N-O 3.33Å; H327-F329 HydrophobicContact CB-CD2 4.33Å; H327-F329 HydrophobicContact CB-CE2 3.69Å; H327-F329 HydrophobicContact CB-CZ 4.22Å; F329-Y331 VanDerWaalsContact C-N 3.32Å; F329-Y331 PolarHBondContact O-N 3.49Å; F329-Y331 VanDerWaalsContact O-N 3.14Å; F329-I357 CarbonylContact C-O 3.57Å; F329-I357 VanDerWaalsContact CA-O 3.3Å; F329-I357 WeakPolarHBondContact CA-O 3.34Å; F329-I357 HydrophobicContact CD1-CB 3.96Å; F329-I357 HydrophobicContact CD1-CD1 4.25Å; F329-I357 HydrophobicContact CD1-CG2 4.41Å; F329-I357 HydrophobicContact CE1-CB 4.19Å; F329-I357 HydrophobicContact CE1-CD1 3.59Å; F329-I357 HydrophobicContact CE1-CG1 4.44Å; F329-I357 HydrophobicContact CZ-CD1 4.22Å |
| 330 | N | 98.6 | Very high | 86.7 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 85.3 | 165.2 | -61.4 | -64.9 | 0 | 0 | 0 | 107.7 | D332 R343 I357 S358 L359 | N330-D332 VanDerWaalsContact C-N 3.29Å; N330-D332 PolarHBondContact O-N 2.86Å; N330-R343 WeakPolarHBondContact OD1-CD 3.35Å; N330-R343 PolarHBondContact OD1-NH1 2.92Å; N330-I357 PolarHBondContact N-O 2.82Å; N330-S358 PolarHBondContact ND2-OG 2.87Å; N330-L359 PolarHBondContact O-N 3.37Å |
| 331 | Y | 98.7 | Very high | 87.6 | Confident | 10 Ų | 10 | 26.2 Ų | 26.2 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -60 | -45.3 | 176.9 | -171.9 | -90.8 | 0 | 0 | 0 | 109.8 | K243 M244 L247 F262 I272 F329 L359 | K243-Y331 HydrophobicContact CB-CE1 4.13Å; K243-Y331 HydrophobicContact CB-CE2 3.81Å; K243-Y331 VanDerWaalsContact CB-CZ 3.47Å; K243-Y331 WeakPolarHBondContact CB-OH 3.29Å; K243-Y331 HydrophobicContact CD-CE1 3.96Å; K243-Y331 WeakPolarHBondContact CE-O 3.43Å; K243-Y331 PolarHBondContact NZ-O 2.64Å; M244-Y331 PolarHBondContact N-OH 3.23Å; L247-Y331 HydrophobicContact CB-CD2 4.11Å; L247-Y331 HydrophobicContact CB-CE2 4.04Å; L247-Y331 HydrophobicContact CD2-CD2 3.61Å; L247-Y331 HydrophobicContact CD2-CE2 3.84Å; L247-Y331 HydrophobicContact CG-CD2 4.3Å; F262-Y331 WeakPolarHBondContact O-CA 3.36Å; F262-Y331 VanDerWaalsContact O-CB 3.27Å; F262-Y331 WeakPolarHBondContact O-CB 3.36Å; F262-Y331 PolarHBondContact O-N 2.65Å; I272-Y331 HydrophobicContact CD1-CD1 3.54Å; I272-Y331 HydrophobicContact CD1-CD2 4.06Å; I272-Y331 HydrophobicContact CD1-CE1 3.89Å; I272-Y331 HydrophobicContact CD1-CE2 4.35Å; I272-Y331 HydrophobicContact CD1-CG 3.61Å; I272-Y331 HydrophobicContact CG1-CD1 4.34Å; I272-Y331 HydrophobicContact CG1-CD2 4.44Å; I272-Y331 HydrophobicContact CG1-CE1 4.23Å; I272-Y331 HydrophobicContact CG1-CE2 4.3Å; I272-Y331 HydrophobicContact CG1-CG 4.42Å; F329-Y331 VanDerWaalsContact C-N 3.32Å; F329-Y331 PolarHBondContact O-N 3.49Å; F329-Y331 VanDerWaalsContact O-N 3.14Å; Y331-L359 HydrophobicContact CD2-CD1 3.91Å; Y331-L359 HydrophobicContact CE2-CD1 4.3Å; Y331-L359 WeakPolarHBondContact O-CB 3.31Å |
| 332 | D | 98 | Very high | 88.5 | Confident | 2 Ų | 2 | 23.3 Ų | 23.3 | 1% | 0.011 | 13% | 0.132 | C | C | . | . | S | Bend | trans | -107.1 | 140 | 165.6 | -57.6 | -34.2 | 0 | 0 | 0 | 108.8 | K243 F262 A263 N264 N330 R343 Y364 | K243-D332 IonicContact NZ-OD1 2.87Å; K243-D332 PolarHBondContact NZ-OD1 3.14Å; F262-D332 PolarHBondContact O-N 2.89Å; A263-D332 WeakPolarHBondContact CA-OD2 3.27Å; A263-D332 VanDerWaalsContact CB-OD2 3.31Å; A263-D332 WeakPolarHBondContact CB-OD2 3.26Å; N264-D332 HydrophobicContact CB-CB 4.32Å; N264-D332 PolarHBondContact N-OD2 3.35Å; N330-D332 VanDerWaalsContact C-N 3.29Å; N330-D332 PolarHBondContact O-N 2.86Å; D332-R343 PolarHBondContact O-NH1 2.87Å; D332-Y364 HydrophobicContact CB-CD2 3.68Å; D332-Y364 HydrophobicContact CB-CE2 3.75Å; D332-Y364 HydrophobicContact CB-CG 4.13Å; D332-Y364 VanDerWaalsContact CG-CE2 3.41Å; D332-Y364 WeakPolarHBondContact OD1-CE2 3.38Å |
| 333 | L | 97.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.132 | C | C | . | . | trans | -65.3 | 135.2 | 165.7 | -68.3 | -178.3 | 0 | 0 | 0 | 108.9 | L235 N264 A360 N367 L368 I371 | L235-L333 HydrophobicContact CD1-CD2 4.38Å; N264-L333 PolarHBondContact ND2-O 3.03Å; L333-A360 HydrophobicContact CD1-CB 3.8Å; L333-A360 HydrophobicContact CG-CB 4.41Å; L333-N367 HydrophobicContact CB-CB 4.31Å; L333-N367 PolarHBondContact O-ND2 2.89Å; L333-L368 HydrophobicContact CD1-CB 3.84Å; L333-L368 HydrophobicContact CD1-CD1 4.16Å; L333-I371 HydrophobicContact CB-CD1 4.12Å; L333-I371 HydrophobicContact CD1-CD1 4.48Å; L333-I371 HydrophobicContact CD2-CD1 4.33Å | ||
| 334 | P | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -63.3 | 148.1 | -178 | 26.3 | -32.6 | 0 | 0 | 0 | 111.2 | D336 D339 Y340 N367 I371 | P334-D336 VanDerWaalsContact C-N 3.27Å; P334-D336 WeakPolarHBondContact CB-O 3.36Å; P334-D339 HydrophobicContact CB-CB 3.72Å; P334-D339 HydrophobicContact CG-CB 4.33Å; P334-Y340 HydrophobicContact CG-CD2 4.46Å; P334-N367 WeakPolarHBondContact O-CB 3.33Å; P334-N367 PolarHBondContact O-ND2 2.76Å; P334-N367 VanDerWaalsContact O-ND2 3.08Å; P334-I371 HydrophobicContact CG-CD1 3.98Å | ||
| 335 | D | 91.1 | Very high | 90.8 | Very high | 113 Ų | 113 | 21.7 Ų | 21.7 | 60% | 0.604 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -70.1 | -27 | 174.5 | -59.6 | -47.4 | 0 | 0 | 0 | 112.2 | N264 N367 | N264-D335 PolarHBondContact ND2-OD1 3.31Å; N264-D335 PolarHBondContact ND2-OD2 3.31Å; D335-N367 WeakPolarHBondContact CA-ND2 3.31Å; D335-N367 PolarHBondContact OD1-ND2 2.55Å; D335-N367 VanDerWaalsContact OD1-ND2 3.15Å |
| 336 | D | 86.7 | Confident | 90.5 | Very high | 65 Ų | 65 | 22.1 Ų | 22.1 | 35% | 0.348 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -105.2 | 128 | 173.5 | -166.1 | -36.8 | 0 | 0 | 0 | 110.4 | P334 E338 D339 | P334-D336 VanDerWaalsContact C-N 3.27Å; P334-D336 WeakPolarHBondContact CB-O 3.36Å; D336-E338 PolarHBondContact O-N 2.88Å; D336-E338 PolarHBondContact OD1-N 3.42Å; D336-D339 HydrophobicContact CB-CB 4.5Å; D336-D339 WeakPolarHBondContact O-CB 3.15Å; D336-D339 PolarHBondContact O-N 2.9Å; D336-D339 VanDerWaalsContact O-N 3.15Å |
| 337 | C | 85.6 | Confident | 90.1 | Very high | 30 Ų | 30 | 20.2 Ų | 20.2 | 20% | 0.203 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.4 | -29.1 | 178.4 | 62.3 | 0 | 0 | 0 | 0 | 113.7 | D339 Y340 A370 I371 Y374 | C337-D339 VanDerWaalsContact C-N 3.29Å; C337-D339 PolarHBondContact O-N 2.51Å; C337-Y340 WeakPolarHBondContact O-CB 3.38Å; C337-Y340 PolarHBondContact O-N 2.82Å; C337-A370 HydrophobicContact CB-CB 4.44Å; C337-I371 HydrophobicContact CB-CG1 4.12Å; C337-Y374 HydrophobicContact CB-CD1 4.41Å; C337-Y374 HydrophobicContact CB-CG 4.19Å |
| 338 | E | 82.2 | Confident | 89.2 | Confident | 56 Ų | 56 | 20.2 Ų | 20.2 | 26% | 0.262 | 12% | 0.117 | S | C | . | . | H | α-helix | trans | -68.8 | -31.9 | 178.3 | -61.7 | -170.4 | 175.8 | 0 | 0 | 111.5 | D336 Y340 V341 H342 Y374 | D336-E338 PolarHBondContact O-N 2.88Å; D336-E338 PolarHBondContact OD1-N 3.42Å; E338-Y340 PolarHBondContact O-N 2.83Å; E338-V341 PolarHBondContact O-N 3.26Å; E338-H342 PolarHBondContact O-N 3Å; E338-H342 PolarHBondContact O-ND1 2.88Å; E338-Y374 HydrophobicContact CB-CE1 4.47Å; E338-Y374 HydrophobicContact CG-CE1 4.14Å; E338-Y374 HydrophobicContact CG-CE2 4.17Å |
| 339 | D | 86 | Confident | 88 | Confident | 9 Ų | 9 | 22 Ų | 22 | 5% | 0.048 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.3 | -28.7 | 177.1 | -80 | -19.9 | 0 | 0 | 0 | 112.3 | R318 P334 D336 C337 V341 H342 R343 | R318-D339 IonicContact CZ-OD1 3.52Å; R318-D339 IonicContact CZ-OD2 2.67Å; R318-D339 IonicContact NE-OD1 2.87Å; R318-D339 PolarHBondContact NE-OD1 3.22Å; R318-D339 IonicContact NE-OD2 2.97Å; R318-D339 IonicContact NH1-OD2 2.69Å; R318-D339 IonicContact NH2-OD1 3.3Å; R318-D339 PolarHBondContact NH2-OD1 2.87Å; R318-D339 IonicContact NH2-OD2 3.54Å; R318-D339 PolarHBondContact NH2-OD2 2.93Å; P334-D339 HydrophobicContact CB-CB 3.72Å; P334-D339 HydrophobicContact CG-CB 4.33Å; D336-D339 HydrophobicContact CB-CB 4.5Å; D336-D339 WeakPolarHBondContact O-CB 3.15Å; D336-D339 PolarHBondContact O-N 2.9Å; D336-D339 VanDerWaalsContact O-N 3.15Å; C337-D339 VanDerWaalsContact C-N 3.29Å; C337-D339 PolarHBondContact O-N 2.51Å; D339-V341 VanDerWaalsContact C-N 3.35Å; D339-V341 PolarHBondContact O-N 3.29Å; D339-H342 PolarHBondContact O-N 3.02Å; D339-H342 IonicContact OD1-ND1 3.29Å; D339-R343 WeakPolarHBondContact O-CB 3.46Å; D339-R343 WeakPolarHBondContact O-CG 3.16Å; D339-R343 PolarHBondContact O-N 3.08Å |
| 340 | Y | 89.7 | Confident | 86.3 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.7 | -51.7 | 174.2 | -176.7 | -98.9 | 0 | 0 | 0 | 110.8 | E233 P334 C337 E338 H342 R343 I344 I371 I375 I379 | E233-Y340 WeakPolarHBondContact OE2-CE1 3.34Å; E233-Y340 PolarHBondContact OE2-OH 2.62Å; P334-Y340 HydrophobicContact CG-CD2 4.46Å; C337-Y340 WeakPolarHBondContact O-CB 3.38Å; C337-Y340 PolarHBondContact O-N 2.82Å; E338-Y340 PolarHBondContact O-N 2.83Å; Y340-H342 VanDerWaalsContact C-N 3.29Å; Y340-H342 PolarHBondContact O-N 3.13Å; Y340-R343 PolarHBondContact O-N 2.93Å; Y340-I344 HydrophobicContact CD1-CD1 4.24Å; Y340-I344 HydrophobicContact CD1-CG2 4.43Å; Y340-I344 HydrophobicContact CD2-CG2 4.41Å; Y340-I344 HydrophobicContact CE1-CD1 3.71Å; Y340-I344 HydrophobicContact CE1-CG1 4.46Å; Y340-I344 HydrophobicContact CE1-CG2 4.03Å; Y340-I344 HydrophobicContact CE2-CG2 4.02Å; Y340-I344 WeakPolarHBondContact O-CG2 3.31Å; Y340-I344 PolarHBondContact O-N 2.71Å; Y340-I371 HydrophobicContact CD1-CG2 3.61Å; Y340-I371 HydrophobicContact CD2-CD1 4.42Å; Y340-I371 HydrophobicContact CD2-CG2 3.87Å; Y340-I371 HydrophobicContact CE1-CG2 4.14Å; Y340-I371 HydrophobicContact CE2-CG2 4.36Å; Y340-I371 HydrophobicContact CG-CG2 3.46Å; Y340-I371 VanDerWaalsContact CG-CG2 3.46Å; Y340-I375 HydrophobicContact CD1-CD1 4.48Å; Y340-I375 HydrophobicContact CD1-CG2 3.98Å; Y340-I375 HydrophobicContact CE1-CD1 4.03Å; Y340-I375 HydrophobicContact CE1-CG2 4.39Å; Y340-I379 HydrophobicContact CE1-CD1 4.17Å; Y340-I379 HydrophobicContact CE2-CD1 3.86Å; Y340-I379 WeakPolarHBondContact OH-CD1 3.34Å |
| 341 | V | 84.1 | Confident | 84.6 | Confident | 24 Ų | 24 | 26 Ų | 26 | 15% | 0.145 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.8 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | K226 E338 D339 R343 G345 Y374 I375 | K226-V341 WeakPolarHBondContact O-CG1 3.48Å; E338-V341 PolarHBondContact O-N 3.26Å; D339-V341 VanDerWaalsContact C-N 3.35Å; D339-V341 PolarHBondContact O-N 3.29Å; V341-R343 PolarHBondContact O-N 3.33Å; V341-G345 PolarHBondContact O-N 2.95Å; V341-Y374 HydrophobicContact CB-CE1 4.48Å; V341-Y374 HydrophobicContact CG2-CD1 4Å; V341-Y374 HydrophobicContact CG2-CE1 3.7Å; V341-I375 HydrophobicContact CG2-CG2 3.77Å |
| 342 | H | 80 | Confident | 83.4 | Confident | 48 Ų | 48 | 27.8 Ų | 27.8 | 22% | 0.222 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66.2 | -35.4 | 178 | -66.9 | 151.3 | 0 | 0 | 0 | 114.3 | E338 D339 Y340 R346 | E338-H342 PolarHBondContact O-N 3Å; E338-H342 PolarHBondContact O-ND1 2.88Å; D339-H342 PolarHBondContact O-N 3.02Å; D339-H342 IonicContact OD1-ND1 3.29Å; Y340-H342 VanDerWaalsContact C-N 3.29Å; Y340-H342 PolarHBondContact O-N 3.13Å; H342-R346 PolarHBondContact O-NE 3.39Å; H342-R346 PolarHBondContact O-NH2 3.19Å |
| 343 | R | 89.6 | Confident | 82.6 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.008 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -71.9 | -53 | 177.4 | -71.3 | 178.1 | -176.2 | -170.7 | 1.2 | 110.6 | F262 N264 D314 V328 N330 D332 D339 Y340 V341 G345 R346 | F262-R343 HydrophobicContact CB-CG 4.27Å; F262-R343 HydrophobicContact CD1-CG 3.87Å; F262-R343 HydrophobicContact CD2-CB 3.74Å; F262-R343 HydrophobicContact CD2-CG 3.61Å; F262-R343 HydrophobicContact CE1-CG 4Å; F262-R343 HydrophobicContact CE2-CB 3.72Å; F262-R343 HydrophobicContact CE2-CG 3.77Å; F262-R343 HydrophobicContact CG-CB 4.3Å; F262-R343 HydrophobicContact CG-CG 3.65Å; F262-R343 HydrophobicContact CZ-CB 4.27Å; F262-R343 HydrophobicContact CZ-CG 3.96Å; N264-R343 PolarHBondContact OD1-NH2 3.2Å; D314-R343 IonicContact OD1-CZ 3.9Å; D314-R343 IonicContact OD1-NE 2.87Å; D314-R343 PolarHBondContact OD1-NE 3.02Å; D314-R343 IonicContact OD1-NH2 3.38Å; D314-R343 PolarHBondContact OD1-NH2 3.31Å; D314-R343 IonicContact OD2-CZ 2.93Å; D314-R343 IonicContact OD2-NE 2.71Å; D314-R343 IonicContact OD2-NH2 3.16Å; D314-R343 PolarHBondContact OD2-NH2 2.89Å; V328-R343 HydrophobicContact CG1-CB 4.36Å; V328-R343 WeakPolarHBondContact CG2-O 3.38Å; N330-R343 WeakPolarHBondContact OD1-CD 3.35Å; N330-R343 PolarHBondContact OD1-NH1 2.92Å; D332-R343 PolarHBondContact O-NH1 2.87Å; D339-R343 WeakPolarHBondContact O-CB 3.46Å; D339-R343 WeakPolarHBondContact O-CG 3.16Å; D339-R343 PolarHBondContact O-N 3.08Å; Y340-R343 PolarHBondContact O-N 2.93Å; V341-R343 PolarHBondContact O-N 3.33Å; R343-G345 VanDerWaalsContact C-N 3.27Å; R343-G345 PolarHBondContact O-N 3.14Å; R343-R346 VanDerWaalsContact O-CB 3.3Å; R343-R346 WeakPolarHBondContact O-CB 3.43Å; R343-R346 WeakPolarHBondContact O-CG 3.27Å; R343-R346 PolarHBondContact O-N 3.39Å; R343-R346 VanDerWaalsContact O-N 3.11Å |
| 344 | I | 89.2 | Confident | 82.2 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.4 | -29.7 | -176.9 | 74.4 | 168.7 | 0 | 0 | 0 | 111.5 | T227 I231 E233 Y340 R346 T347 S356 | T227-I344 HydrophobicContact CG2-CD1 3.6Å; I231-I344 HydrophobicContact CD1-CD1 4.39Å; I231-I344 HydrophobicContact CD1-CG1 4.26Å; E233-I344 HydrophobicContact CG-CD1 4.49Å; Y340-I344 HydrophobicContact CD1-CD1 4.24Å; Y340-I344 HydrophobicContact CD1-CG2 4.43Å; Y340-I344 HydrophobicContact CD2-CG2 4.41Å; Y340-I344 HydrophobicContact CE1-CD1 3.71Å; Y340-I344 HydrophobicContact CE1-CG1 4.46Å; Y340-I344 HydrophobicContact CE1-CG2 4.03Å; Y340-I344 HydrophobicContact CE2-CG2 4.02Å; Y340-I344 WeakPolarHBondContact O-CG2 3.31Å; Y340-I344 PolarHBondContact O-N 2.71Å; I344-R346 PolarHBondContact O-N 3.1Å; I344-T347 WeakPolarHBondContact O-CG2 3.48Å; I344-T347 PolarHBondContact O-N 3.19Å; I344-S356 WeakPolarHBondContact CG2-OG 2.87Å |
| 345 | G | 81.7 | Confident | 82.2 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | V341 R343 R349 | V341-G345 PolarHBondContact O-N 2.95Å; R343-G345 VanDerWaalsContact C-N 3.27Å; R343-G345 PolarHBondContact O-N 3.14Å; G345-R349 PolarHBondContact O-NE 3.44Å; G345-R349 PolarHBondContact O-NH2 3.29Å |
| 346 | R | 83.7 | Confident | 82.5 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 5% | 0.045 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -24.8 | 166.3 | -56.3 | -63.1 | 136.7 | -179.1 | 0.2 | 112.3 | I260 F262 L320 V325 V328 H342 R343 I344 R349 | I260-R346 HydrophobicContact CD1-CB 3.71Å; I260-R346 HydrophobicContact CD1-CG 3.82Å; F262-R346 HydrophobicContact CE2-CG 4.31Å; F262-R346 HydrophobicContact CZ-CG 4.21Å; L320-R346 PolarHBondContact O-NH1 2.87Å; V325-R346 HydrophobicContact CG2-CB 4.1Å; V325-R346 PolarHBondContact N-O 3.46Å; V328-R346 HydrophobicContact CG2-CB 3.91Å; H342-R346 PolarHBondContact O-NE 3.39Å; H342-R346 PolarHBondContact O-NH2 3.19Å; R343-R346 VanDerWaalsContact O-CB 3.3Å; R343-R346 WeakPolarHBondContact O-CB 3.43Å; R343-R346 WeakPolarHBondContact O-CG 3.27Å; R343-R346 PolarHBondContact O-N 3.39Å; R343-R346 VanDerWaalsContact O-N 3.11Å; I344-R346 PolarHBondContact O-N 3.1Å; R346-R349 VanDerWaalsContact NH1-NH2 3.16Å |
| 347 | T | 85 | Confident | 83 | Confident | 2 Ų | 2 | 24.7 Ų | 24.7 | 1% | 0.012 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -103.4 | 173.1 | 173 | -168.5 | 0 | 0 | 0 | 0 | 111 | I231 V325 T326 V328 I344 R349 G354 | I231-T347 HydrophobicContact CD1-CG2 4.45Å; I231-T347 HydrophobicContact CG1-CG2 4.31Å; I231-T347 HydrophobicContact CG2-CG2 4.09Å; V325-T347 WeakPolarHBondContact O-CA 3.45Å; V325-T347 WeakPolarHBondContact O-CB 3.48Å; V325-T347 PolarHBondContact O-OG1 3.41Å; T326-T347 PolarHBondContact O-OG1 3.49Å; V328-T347 HydrophobicContact CB-CG2 4.44Å; V328-T347 HydrophobicContact CG2-CG2 3.88Å; I344-T347 WeakPolarHBondContact O-CG2 3.48Å; I344-T347 PolarHBondContact O-N 3.19Å; T347-R349 PolarHBondContact O-N 3.48Å; T347-G354 WeakPolarHBondContact OG1-CA 3.32Å |
| 348 | G | 75.4 | Confident | 83.7 | Confident | 20 Ų | 20 | 23.3 Ų | 23.3 | 21% | 0.206 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 67.5 | 15 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | A352 | G348-A352 CarbonylContact C-O 3.5Å; G348-A352 VanDerWaalsContact CA-O 3.31Å; G348-A352 WeakPolarHBondContact CA-O 3.47Å |
| 349 | R | 72.1 | Confident | 84.4 | Confident | 36 Ų | 36 | 20.7 Ų | 20.7 | 14% | 0.136 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -76.7 | 153.5 | -176.5 | -68.2 | -176 | 173.4 | -168.2 | -2.8 | 112.9 | I322 A324 G345 R346 T347 G351 A352 | I322-R349 PolarHBondContact O-NH1 2.97Å; A324-R349 HydrophobicContact CB-CB 3.95Å; G345-R349 PolarHBondContact O-NE 3.44Å; G345-R349 PolarHBondContact O-NH2 3.29Å; R346-R349 VanDerWaalsContact NH1-NH2 3.16Å; T347-R349 PolarHBondContact O-N 3.48Å; R349-G351 PolarHBondContact O-N 2.99Å; R349-A352 WeakPolarHBondContact O-CB 3.41Å; R349-A352 PolarHBondContact O-N 3.37Å |
| 350 | A | 62 | Low | 84.9 | Confident | 73 Ų | 73 | 20.3 Ų | 20.3 | 60% | 0.603 | 15% | 0.145 | S | C | * | . | G | 310 helix | trans | 51.5 | 28.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S2 | S2-A350 WeakPolarHBondContact CB-O 3.01Š|
| 351 | G | 62.7 | Low | 85 | Confident | 16 Ų | 16 | 20.3 Ų | 20.3 | 17% | 0.165 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | 79.8 | 17 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | R230 R349 | R230-G351 VanDerWaalsContact CZ-CA 3.44Å; R230-G351 PolarHBondContact NE-O 3.34Å; R230-G351 PolarHBondContact NH1-O 3.08Å; R230-G351 VanDerWaalsContact NH2-C 3.34Å; R230-G351 PolarHBondContact NH2-O 3.25Å; R349-G351 PolarHBondContact O-N 2.99Å |
| 352 | A | 73.5 | Confident | 85.3 | Confident | 47 Ų | 47 | 26 Ų | 26 | 39% | 0.388 | 17% | 0.169 | S | C | . | . | trans | -73.6 | 158.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | G348 R349 | G348-A352 CarbonylContact C-O 3.5Å; G348-A352 VanDerWaalsContact CA-O 3.31Å; G348-A352 WeakPolarHBondContact CA-O 3.47Å; R349-A352 WeakPolarHBondContact O-CB 3.41Å; R349-A352 PolarHBondContact O-N 3.37Å | ||
| 353 | S | 82.7 | Confident | 85.9 | Confident | 94 Ų | 94 | 28.9 Ų | 28.9 | 66% | 0.657 | 18% | 0.183 | S | C | * | . | trans | -79.3 | 154.8 | 159.6 | 53.3 | 0 | 0 | 0 | 0 | 110.1 | R230 | R230-S353 CarbonylContact O-C 3.55Å; R230-S353 WeakPolarHBondContact O-CA 3.3Å | ||
| 354 | G | 89.2 | Confident | 86.1 | Confident | 7 Ų | 7 | 29.6 Ų | 29.6 | 7% | 0.072 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R230 I231 K232 T347 | R230-G354 PolarHBondContact O-N 2.96Å; I231-G354 CarbonylContact C-O 3.59Å; I231-G354 WeakPolarHBondContact CA-O 3.48Å; K232-G354 PolarHBondContact N-O 3.03Å; T347-G354 WeakPolarHBondContact OG1-CA 3.32Å |
| 355 | H | 94.8 | Very high | 86.3 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.065 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.4 | 173.5 | -161.1 | -177.4 | 0 | 0 | 0 | 109.5 | K232 E234 E254 T326 H327 V328 | K232-H355 PolarHBondContact NZ-CE1 3Å; K232-H355 PolarHBondContact NZ-NE2 3.35Å; K232-H355 PolarHBondContact O-CD2 3.32Å; E234-H355 IonicContact OE2-CE1 3.02Å; E234-H355 PolarHBondContact OE2-CE1 3.4Å; E234-H355 VanDerWaalsContact OE2-CE1 3.3Å; E234-H355 IonicContact OE2-NE2 3.05Å; E234-H355 PolarHBondContact OE2-NE2 3.45Å; E254-H355 IonicContact OE1-CE1 3.71Å; E254-H355 IonicContact OE1-ND1 3.56Å; E254-H355 IonicContact OE2-CE1 3.11Å; E254-H355 PolarHBondContact OE2-CE1 2.87Å; E254-H355 VanDerWaalsContact OE2-CE1 3.29Å; E254-H355 IonicContact OE2-ND1 2.63Å; E254-H355 PolarHBondContact OE2-ND1 3.25Å; T326-H355 PolarHBondContact O-N 2.98Å; H327-H355 CarbonylContact C-O 3.55Å; H327-H355 VanDerWaalsContact CA-O 3.31Å; H327-H355 WeakPolarHBondContact CA-O 3.38Å; H327-H355 AromaticContact CD2-CG 3.96Å; H327-H355 AromaticContact CD2-ND1 3.81Å; H327-H355 AromaticContact NE2-ND1 3.67Å; V328-H355 PolarHBondContact N-O 3.43Å |
| 356 | S | 96.3 | Very high | 87 | Confident | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 111.7 | 175.8 | 168.2 | 0 | 0 | 0 | 0 | 109.2 | K232 E233 E234 V328 I344 | K232-S356 PolarHBondContact O-N 3.17Å; E233-S356 CarbonylContact C-O 3.59Å; E233-S356 WeakPolarHBondContact CA-O 3.48Å; E234-S356 PolarHBondContact N-O 3.45Å; V328-S356 CarbonylContact O-C 3.54Å; V328-S356 WeakPolarHBondContact O-CA 3.32Å; I344-S356 WeakPolarHBondContact CG2-OG 2.87Å |
| 357 | I | 98.5 | Very high | 87.6 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 129.4 | -179.5 | -59.4 | 164.8 | 0 | 0 | 0 | 108.9 | E234 F236 L250 E254 V328 F329 N330 | E234-I357 HydrophobicContact CB-CG1 4.34Å; E234-I357 CarbonylContact O-C 3.53Å; E234-I357 WeakPolarHBondContact O-CA 3.49Å; F236-I357 HydrophobicContact CD2-CG2 3.67Å; F236-I357 HydrophobicContact CE2-CG2 3.61Å; L250-I357 HydrophobicContact CD1-CG2 3.94Å; E254-I357 HydrophobicContact CG-CD1 4.08Å; V328-I357 PolarHBondContact O-N 3.33Å; F329-I357 CarbonylContact C-O 3.57Å; F329-I357 VanDerWaalsContact CA-O 3.3Å; F329-I357 WeakPolarHBondContact CA-O 3.34Å; F329-I357 HydrophobicContact CD1-CB 3.96Å; F329-I357 HydrophobicContact CD1-CD1 4.25Å; F329-I357 HydrophobicContact CD1-CG2 4.41Å; F329-I357 HydrophobicContact CE1-CB 4.19Å; F329-I357 HydrophobicContact CE1-CD1 3.59Å; F329-I357 HydrophobicContact CE1-CG1 4.44Å; F329-I357 HydrophobicContact CZ-CD1 4.22Å; N330-I357 PolarHBondContact N-O 2.82Å |
| 358 | S | 98.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 136.1 | -173.6 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | E234 L235 F236 N330 | E234-S358 PolarHBondContact O-N 3.48Å; L235-S358 WeakPolarHBondContact CA-O 3.23Å; F236-S358 PolarHBondContact N-O 3.39Å; N330-S358 PolarHBondContact ND2-OG 2.87Å |
| 359 | L | 98.5 | Very high | 89.2 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 96.8 | -178.9 | -52.2 | -174.3 | 0 | 0 | 0 | 110.1 | F236 P238 K243 L246 L247 L250 N330 Y331 C361 | F236-L359 HydrophobicContact CB-CD2 3.97Å; F236-L359 HydrophobicContact CD2-CD2 4.18Å; F236-L359 HydrophobicContact CG-CD2 4.48Å; P238-L359 HydrophobicContact CG-CB 3.97Å; P238-L359 HydrophobicContact CG-CD2 4.5Å; K243-L359 HydrophobicContact CB-CD1 4.5Å; L246-L359 HydrophobicContact CD2-CD2 3.76Å; L246-L359 HydrophobicContact CG-CD2 4.26Å; L247-L359 HydrophobicContact CB-CD1 4.45Å; L250-L359 HydrophobicContact CD1-CD2 4.22Å; N330-L359 PolarHBondContact O-N 3.37Å; Y331-L359 HydrophobicContact CD2-CD1 3.91Å; Y331-L359 HydrophobicContact CE2-CD1 4.3Å; Y331-L359 WeakPolarHBondContact O-CB 3.31Å; L359-C361 VanDerWaalsContact C-N 3.33Å; L359-C361 PolarHBondContact O-N 3.38Å; L359-C361 VanDerWaalsContact O-N 3.08Å |
| 360 | A | 96.4 | Very high | 90.3 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 2% | 0.017 | 26% | 0.259 | C | S | . | . | trans | -83.2 | 74.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L235 F236 Y237 L333 A365 | L235-A360 HydrophobicContact CD1-CB 3.84Å; L235-A360 HydrophobicContact CD2-CB 4.45Å; L235-A360 HydrophobicContact CG-CB 4.28Å; F236-A360 PolarHBondContact O-N 3.45Å; Y237-A360 HydrophobicContact CD1-CB 3.72Å; Y237-A360 VanDerWaalsContact CD1-O 3.28Å; Y237-A360 WeakPolarHBondContact CD1-O 3.31Å; Y237-A360 HydrophobicContact CE1-CB 3.64Å; Y237-A360 HydrophobicContact CG-CB 4.48Å; L333-A360 HydrophobicContact CD1-CB 3.8Å; L333-A360 HydrophobicContact CG-CB 4.41Å; A360-A365 HydrophobicContact CB-CB 4.24Å | ||
| 361 | C | 92.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -70.4 | 168.1 | 173.2 | 70.1 | 0 | 0 | 0 | 0 | 112.4 | P238 N240 K243 L359 E363 Y364 A365 | P238-C361 VanDerWaalsContact O-CA 3.25Å; P238-C361 WeakPolarHBondContact O-CA 3.21Å; P238-C361 WeakPolarHBondContact O-CB 3.49Å; N240-C361 WeakPolarHBondContact OD1-CB 3.28Å; N240-C361 PolarHBondContact OD1-SG 2.88Å; K243-C361 HydrophobicContact CD-CB 3.59Å; K243-C361 HydrophobicContact CG-CB 4.01Å; K243-C361 PolarHBondContact NZ-SG 3.17Å; L359-C361 VanDerWaalsContact C-N 3.33Å; L359-C361 PolarHBondContact O-N 3.38Å; L359-C361 VanDerWaalsContact O-N 3.08Å; C361-E363 PolarHBondContact O-N 3.43Å; C361-Y364 PolarHBondContact O-N 2.99Å; C361-A365 VanDerWaalsContact O-CB 3.26Å; C361-A365 WeakPolarHBondContact O-CB 3.2Å; C361-A365 PolarHBondContact O-N 3.27Å | ||
| 362 | E | 89.9 | Confident | 93.4 | Very high | 142 Ų | 142 | 39.5 Ų | 39.5 | 66% | 0.664 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -29.9 | 178.7 | 62.2 | -170.7 | -178.6 | 0 | 0 | 114.8 | N240 | N240-E362 WeakPolarHBondContact ND2-CG 3.42Å; N240-E362 PolarHBondContact ND2-OE1 2.98Å |
| 363 | E | 91.3 | Very high | 94.3 | Very high | 110 Ų | 110 | 42.7 Ų | 42.7 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -39.3 | 179.2 | -170.4 | 179.4 | 164.1 | 0 | 0 | 112.8 | C361 | C361-E363 PolarHBondContact O-N 3.43Š|
| 364 | Y | 94.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 41 Ų | 41 | 7% | 0.067 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | -4.5 | -170.7 | -60.9 | -72.1 | 0 | 0 | 0 | 114.3 | N264 D332 C361 L366 N367 | N264-Y364 HydrophobicContact CB-CE1 4.28Å; N264-Y364 WeakPolarHBondContact ND2-CD1 3.4Å; N264-Y364 WeakPolarHBondContact ND2-CE1 3.25Å; D332-Y364 HydrophobicContact CB-CD2 3.68Å; D332-Y364 HydrophobicContact CB-CE2 3.75Å; D332-Y364 HydrophobicContact CB-CG 4.13Å; D332-Y364 VanDerWaalsContact CG-CE2 3.41Å; D332-Y364 WeakPolarHBondContact OD1-CE2 3.38Å; C361-Y364 PolarHBondContact O-N 2.99Å; Y364-L366 PolarHBondContact O-N 2.82Å; Y364-L366 VanDerWaalsContact O-N 3.15Å; Y364-N367 WeakPolarHBondContact O-CB 3.36Å; Y364-N367 PolarHBondContact O-N 2.74Å |
| 365 | A | 93.7 | Very high | 94.4 | Very high | 28 Ų | 28 | 41.2 Ų | 41.2 | 23% | 0.231 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -58.8 | -26.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y237 A360 C361 N367 L368 | Y237-A365 HydrophobicContact CE1-CB 4.41Å; A360-A365 HydrophobicContact CB-CB 4.24Å; C361-A365 VanDerWaalsContact O-CB 3.26Å; C361-A365 WeakPolarHBondContact O-CB 3.2Å; C361-A365 PolarHBondContact O-N 3.27Å; A365-N367 PolarHBondContact O-N 2.67Å; A365-L368 VanDerWaalsContact O-CB 3.27Å; A365-L368 WeakPolarHBondContact O-CB 3.31Å; A365-L368 PolarHBondContact O-N 3.32Å |
| 366 | L | 95.7 | Very high | 94.1 | Very high | 148 Ų | 148 | 43.7 Ų | 43.7 | 78% | 0.775 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -66 | -19.4 | 175.1 | -65.7 | 176.1 | 0 | 0 | 0 | 113.6 | Y364 L368 P369 | Y364-L366 PolarHBondContact O-N 2.82Å; Y364-L366 VanDerWaalsContact O-N 3.15Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-P369 WeakPolarHBondContact O-CD 3.39Å |
| 367 | N | 97.2 | Very high | 93.9 | Very high | 35 Ų | 35 | 47.1 Ų | 47.1 | 19% | 0.187 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -78.3 | -20.4 | 176.8 | -61.6 | -9.8 | 0 | 0 | 0 | 111.8 | L333 P334 D335 Y364 A365 A370 I371 | L333-N367 HydrophobicContact CB-CB 4.31Å; L333-N367 PolarHBondContact O-ND2 2.89Å; P334-N367 WeakPolarHBondContact O-CB 3.33Å; P334-N367 PolarHBondContact O-ND2 2.76Å; P334-N367 VanDerWaalsContact O-ND2 3.08Å; D335-N367 WeakPolarHBondContact CA-ND2 3.31Å; D335-N367 PolarHBondContact OD1-ND2 2.55Å; D335-N367 VanDerWaalsContact OD1-ND2 3.15Å; Y364-N367 WeakPolarHBondContact O-CB 3.36Å; Y364-N367 PolarHBondContact O-N 2.74Å; A365-N367 PolarHBondContact O-N 2.67Å; N367-A370 PolarHBondContact O-N 3.45Å; N367-I371 HydrophobicContact CB-CD1 4.35Å; N367-I371 WeakPolarHBondContact O-CG1 3.39Å; N367-I371 PolarHBondContact O-N 2.92Å |
| 368 | L | 97.6 | Very high | 93.7 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.4 | -45.9 | -173.4 | -177.5 | 67.2 | 0 | 0 | 0 | 114.1 | L235 Y237 L333 A365 L366 A370 I371 E372 I379 | L235-L368 HydrophobicContact CD1-CD1 4.42Å; L235-L368 HydrophobicContact CD2-CD1 4.01Å; L235-L368 HydrophobicContact CD2-CD2 3.54Å; L235-L368 HydrophobicContact CD2-CG 4.44Å; Y237-L368 WeakPolarHBondContact OH-CD2 3.2Å; L333-L368 HydrophobicContact CD1-CB 3.84Å; L333-L368 HydrophobicContact CD1-CD1 4.16Å; A365-L368 VanDerWaalsContact O-CB 3.27Å; A365-L368 WeakPolarHBondContact O-CB 3.31Å; A365-L368 PolarHBondContact O-N 3.32Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.1Å; L368-I371 WeakPolarHBondContact O-CA 3.15Å; L368-I371 WeakPolarHBondContact O-CB 3.34Å; L368-I371 PolarHBondContact O-N 3.05Å; L368-E372 HydrophobicContact CD1-CG 3.86Å; L368-E372 HydrophobicContact CG-CG 4.05Å; L368-E372 PolarHBondContact O-N 3.38Å; L368-I379 HydrophobicContact CD1-CD1 3.84Å |
| 369 | P | 96.7 | Very high | 93.6 | Very high | 78 Ų | 78 | 51.2 Ų | 51.2 | 51% | 0.506 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | -177.7 | -25.3 | 36.3 | 0 | 0 | 0 | 113.5 | L366 T373 | L366-P369 WeakPolarHBondContact O-CD 3.39Å; P369-T373 VanDerWaalsContact O-CB 3.25Å; P369-T373 WeakPolarHBondContact O-CB 3.3Å; P369-T373 PolarHBondContact O-N 3.25Å; P369-T373 PolarHBondContact O-OG1 2.99Å |
| 370 | A | 93.7 | Very high | 93.6 | Very high | 57 Ų | 57 | 54.7 Ų | 54.7 | 47% | 0.471 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C337 N367 L368 Y374 | C337-A370 HydrophobicContact CB-CB 4.44Å; N367-A370 PolarHBondContact O-N 3.45Å; L368-A370 VanDerWaalsContact C-N 3.29Å; L368-A370 PolarHBondContact O-N 3.1Å; A370-Y374 VanDerWaalsContact O-CB 3.28Å; A370-Y374 WeakPolarHBondContact O-CB 3.3Å; A370-Y374 PolarHBondContact O-N 3.25Å |
| 371 | I | 94.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 58.7 Ų | 58.7 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.6 | -54.3 | 174.6 | -66.4 | 163.8 | 0 | 0 | 0 | 110.7 | L333 P334 C337 Y340 N367 L368 T373 Y374 I375 I379 | L333-I371 HydrophobicContact CB-CD1 4.12Å; L333-I371 HydrophobicContact CD1-CD1 4.48Å; L333-I371 HydrophobicContact CD2-CD1 4.33Å; P334-I371 HydrophobicContact CG-CD1 3.98Å; C337-I371 HydrophobicContact CB-CG1 4.12Å; Y340-I371 HydrophobicContact CD1-CG2 3.61Å; Y340-I371 HydrophobicContact CD2-CD1 4.42Å; Y340-I371 HydrophobicContact CD2-CG2 3.87Å; Y340-I371 HydrophobicContact CE1-CG2 4.14Å; Y340-I371 HydrophobicContact CE2-CG2 4.36Å; Y340-I371 HydrophobicContact CG-CG2 3.46Å; Y340-I371 VanDerWaalsContact CG-CG2 3.46Å; N367-I371 HydrophobicContact CB-CD1 4.35Å; N367-I371 WeakPolarHBondContact O-CG1 3.39Å; N367-I371 PolarHBondContact O-N 2.92Å; L368-I371 WeakPolarHBondContact O-CA 3.15Å; L368-I371 WeakPolarHBondContact O-CB 3.34Å; L368-I371 PolarHBondContact O-N 3.05Å; I371-T373 VanDerWaalsContact C-N 3.34Å; I371-T373 PolarHBondContact O-N 2.74Å; I371-Y374 WeakPolarHBondContact O-CB 3.44Å; I371-Y374 PolarHBondContact O-N 3.09Å; I371-I375 HydrophobicContact CG2-CD1 4.39Å; I371-I375 WeakPolarHBondContact O-CG1 3.49Å; I371-I375 PolarHBondContact O-N 2.99Å; I371-I379 HydrophobicContact CG2-CD1 4.27Å |
| 372 | E | 96.4 | Very high | 93.9 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | -178.6 | -67.8 | -167.6 | 156.1 | 0 | 0 | 112.1 | L368 Y374 I375 G376 H377 S378 I379 | L368-E372 HydrophobicContact CD1-CG 3.86Å; L368-E372 HydrophobicContact CG-CG 4.05Å; L368-E372 PolarHBondContact O-N 3.38Å; E372-Y374 VanDerWaalsContact C-N 3.31Å; E372-Y374 PolarHBondContact O-N 2.83Å; E372-I375 PolarHBondContact O-N 3.12Å; E372-G376 WeakPolarHBondContact O-CA 3.47Å; E372-G376 PolarHBondContact O-N 3.1Å; E372-H377 WeakPolarHBondContact CA-O 3.5Å; E372-H377 WeakPolarHBondContact CB-O 3.4Å; E372-H377 PolarHBondContact O-N 3.17Å; E372-S378 WeakPolarHBondContact OE1-CA 3.22Å; E372-S378 WeakPolarHBondContact OE1-CB 3.27Å; E372-S378 PolarHBondContact OE2-OG 3.48Å; E372-I379 HydrophobicContact CG-CG1 4.42Å; E372-I379 PolarHBondContact OE1-N 2.84Å |
| 373 | T | 92.1 | Very high | 94.1 | Very high | 114 Ų | 114 | 63.2 Ų | 63.2 | 70% | 0.699 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -60.9 | -42.8 | 173.4 | -59.5 | 0 | 0 | 0 | 0 | 111 | P369 I371 | P369-T373 VanDerWaalsContact O-CB 3.25Å; P369-T373 WeakPolarHBondContact O-CB 3.3Å; P369-T373 PolarHBondContact O-N 3.25Å; P369-T373 PolarHBondContact O-OG1 2.99Å; I371-T373 VanDerWaalsContact C-N 3.34Å; I371-T373 PolarHBondContact O-N 2.74Å |
| 374 | Y | 86 | Confident | 94.3 | Very high | 59 Ų | 59 | 60.5 Ų | 60.5 | 23% | 0.231 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.5 | -45 | -179.6 | -177.5 | -109.7 | 0 | 0 | 0 | 112.1 | K226 C337 E338 V341 A370 I371 E372 G376 | K226-Y374 WeakPolarHBondContact CD-O 3.41Å; K226-Y374 WeakPolarHBondContact CE-O 3.36Å; K226-Y374 PolarHBondContact NZ-O 3.32Å; C337-Y374 HydrophobicContact CB-CD1 4.41Å; C337-Y374 HydrophobicContact CB-CG 4.19Å; E338-Y374 HydrophobicContact CB-CE1 4.47Å; E338-Y374 HydrophobicContact CG-CE1 4.14Å; E338-Y374 HydrophobicContact CG-CE2 4.17Å; V341-Y374 HydrophobicContact CB-CE1 4.48Å; V341-Y374 HydrophobicContact CG2-CD1 4Å; V341-Y374 HydrophobicContact CG2-CE1 3.7Å; A370-Y374 VanDerWaalsContact O-CB 3.28Å; A370-Y374 WeakPolarHBondContact O-CB 3.3Å; A370-Y374 PolarHBondContact O-N 3.25Å; I371-Y374 WeakPolarHBondContact O-CB 3.44Å; I371-Y374 PolarHBondContact O-N 3.09Å; E372-Y374 VanDerWaalsContact C-N 3.31Å; E372-Y374 PolarHBondContact O-N 2.83Å; Y374-G376 VanDerWaalsContact C-N 3.31Å |
| 375 | I | 87.4 | Confident | 94.3 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.062 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -80.1 | -12.4 | 179.8 | 69.1 | -176.5 | 0 | 0 | 0 | 113.5 | T227 Y340 V341 I371 E372 H377 I379 | T227-I375 HydrophobicContact CG2-CB 4.05Å; T227-I375 HydrophobicContact CG2-CG2 3.98Å; Y340-I375 HydrophobicContact CD1-CD1 4.48Å; Y340-I375 HydrophobicContact CD1-CG2 3.98Å; Y340-I375 HydrophobicContact CE1-CD1 4.03Å; Y340-I375 HydrophobicContact CE1-CG2 4.39Å; V341-I375 HydrophobicContact CG2-CG2 3.77Å; I371-I375 HydrophobicContact CG2-CD1 4.39Å; I371-I375 WeakPolarHBondContact O-CG1 3.49Å; I371-I375 PolarHBondContact O-N 2.99Å; E372-I375 PolarHBondContact O-N 3.12Å; I375-H377 WeakPolarHBondContact CG1-O 3.42Å; I375-H377 PolarHBondContact O-ND1 3.28Å; I375-I379 HydrophobicContact CD1-CD1 4.44Å; I375-I379 HydrophobicContact CD1-CG1 3.99Å |
| 376 | G | 88.5 | Confident | 94.2 | Very high | 66 Ų | 66 | 65.5 Ų | 65.5 | 68% | 0.68 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.1 | 11.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | E372 Y374 | E372-G376 WeakPolarHBondContact O-CA 3.47Å; E372-G376 PolarHBondContact O-N 3.1Å; Y374-G376 VanDerWaalsContact C-N 3.31Å |
| 377 | H | 92 | Very high | 94.1 | Very high | 72 Ų | 72 | 65.6 Ų | 65.6 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -154.2 | 159.7 | 177.6 | 65.6 | -83.5 | 0 | 0 | 0 | 111 | E233 E372 I375 | E233-H377 IonicContact OE1-CE1 3.02Å; E233-H377 IonicContact OE1-NE2 3.69Å; E233-H377 PolarHBondContact OE1-NE2 2.93Å; E233-H377 IonicContact OE2-NE2 2.82Å; E372-H377 WeakPolarHBondContact CA-O 3.5Å; E372-H377 WeakPolarHBondContact CB-O 3.4Å; E372-H377 PolarHBondContact O-N 3.17Å; I375-H377 WeakPolarHBondContact CG1-O 3.42Å; I375-H377 PolarHBondContact O-ND1 3.28Å |
| 378 | S | 96 | Very high | 93.9 | Very high | 82 Ų | 82 | 67 Ų | 67 | 57% | 0.573 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -83.9 | 141.6 | 174.2 | -66.9 | 0 | 0 | 0 | 0 | 112 | E372 | E372-S378 WeakPolarHBondContact OE1-CA 3.22Å; E372-S378 WeakPolarHBondContact OE1-CB 3.27Å; E372-S378 PolarHBondContact OE2-OG 3.48Å |
| 379 | I | 96.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -77.4 | 126.3 | 179.5 | -56 | 171.2 | 0 | 0 | 0 | 108.3 | E233 L235 Y340 L368 I371 E372 I375 V381 | E233-I379 HydrophobicContact CB-CG2 4.05Å; L235-I379 HydrophobicContact CB-CB 4.22Å; L235-I379 HydrophobicContact CB-CG2 3.72Å; Y340-I379 HydrophobicContact CE1-CD1 4.17Å; Y340-I379 HydrophobicContact CE2-CD1 3.86Å; Y340-I379 WeakPolarHBondContact OH-CD1 3.34Å; L368-I379 HydrophobicContact CD1-CD1 3.84Å; I371-I379 HydrophobicContact CG2-CD1 4.27Å; E372-I379 HydrophobicContact CG-CG1 4.42Å; E372-I379 PolarHBondContact OE1-N 2.84Å; I375-I379 HydrophobicContact CD1-CD1 4.44Å; I375-I379 HydrophobicContact CD1-CG1 3.99Å; I379-V381 PolarHBondContact O-N 3.48Å |
| 380 | P | 97.1 | Very high | 93.6 | Very high | 75 Ų | 75 | 66.4 Ų | 66.4 | 49% | 0.487 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 125.8 | 179.9 | -26.8 | 35.2 | 0 | 0 | 0 | 112.6 | E233 L235 | E233-P380 WeakPolarHBondContact O-CD 3.23Å; L235-P380 PolarHBondContact N-O 2.9Å |
| 381 | V | 97.8 | Very high | 93.3 | Very high | 85 Ų | 85 | 68.5 Ų | 68.5 | 52% | 0.515 | 40% | 0.396 | S | S | . | . | B | Isolated β-bridge | trans | -88.7 | 126.2 | -179.2 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | L235 Y237 I379 | L235-V381 HydrophobicContact CD2-CG2 4.21Å; L235-V381 CarbonylContact O-C 3.59Å; L235-V381 WeakPolarHBondContact O-CA 3.44Å; Y237-V381 HydrophobicContact CD2-CG1 3.86Å; Y237-V381 HydrophobicContact CE2-CG1 3.81Å; Y237-V381 HydrophobicContact CE2-CG2 3.91Å; I379-V381 PolarHBondContact O-N 3.48Å |
| 382 | S | 97 | Very high | 93 | Very high | 35 Ų | 35 | 75.5 Ų | 75.5 | 25% | 0.245 | 43% | 0.433 | C | S | . | . | trans | -107.9 | 150 | 171.5 | -74.7 | 0 | 0 | 0 | 0 | 111.4 | E234 L235 F236 | E234-S382 WeakPolarHBondContact CG-OG 3.45Å; E234-S382 WeakPolarHBondContact OE1-CB 3.43Å; E234-S382 PolarHBondContact OE1-OG 2.99Å; L235-S382 PolarHBondContact O-N 3.34Å; F236-S382 WeakPolarHBondContact CD1-O 3.42Å | ||
| 383 | K | 94.5 | Very high | 92.6 | Very high | 202 Ų | 202 | 75.5 Ų | 75.5 | 88% | 0.878 | 43% | 0.434 | S | S | * | . | trans | -100.1 | 144 | 175.5 | -63.3 | -176.1 | -179.6 | -178.6 | 0 | 108.9 | ||||
| 384 | Y | 94.7 | Very high | 92.6 | Very high | 53 Ų | 53 | 72.3 Ų | 72.3 | 21% | 0.208 | 42% | 0.416 | C | S | . | . | trans | -119.7 | 162.2 | 166.7 | 69.4 | -78.9 | 0 | 0 | 0 | 108.7 | F236 P238 E242 L246 P386 L389 | F236-Y384 HydrophobicContact CB-CD1 4.48Å; F236-Y384 AromaticContact CD1-CD1 3.92Å; F236-Y384 HydrophobicContact CD1-CD1 3.92Å; P238-Y384 VanDerWaalsContact CA-OH 3.27Å; P238-Y384 WeakPolarHBondContact CA-OH 3.26Å; P238-Y384 HydrophobicContact CB-CE1 4.34Å; E242-Y384 PolarHBondContact OE2-OH 3.08Å; L246-Y384 HydrophobicContact CD1-CD1 4.3Å; L246-Y384 HydrophobicContact CD1-CD2 4.05Å; L246-Y384 HydrophobicContact CD1-CG 3.83Å; L246-Y384 HydrophobicContact CD2-CD1 3.96Å; L246-Y384 HydrophobicContact CD2-CE1 4.01Å; L246-Y384 HydrophobicContact CD2-CG 4.27Å; Y384-P386 HydrophobicContact CD2-CG 4.4Å; Y384-P386 HydrophobicContact CE2-CB 4.22Å; Y384-P386 HydrophobicContact CE2-CG 3.81Å; Y384-P386 WeakPolarHBondContact O-CD 3.28Å; Y384-L389 HydrophobicContact CD2-CD1 4.16Å; Y384-L389 HydrophobicContact CD2-CD2 3.81Å; Y384-L389 HydrophobicContact CD2-CG 4.11Å; Y384-L389 HydrophobicContact CE2-CD1 3.8Å; Y384-L389 HydrophobicContact CE2-CD2 4.31Å; Y384-L389 HydrophobicContact CE2-CG 4.24Å | ||
| 385 | N | 94.8 | Very high | 92.9 | Very high | 92 Ų | 92 | 78.8 Ų | 78.8 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | trans | -97.2 | 111 | 172.8 | 179.3 | 8.7 | 0 | 0 | 0 | 109.1 | D387 A388 | N385-D387 PolarHBondContact O-N 3.02Å; N385-D387 PolarHBondContact OD1-N 3.12Å; N385-D387 VanDerWaalsContact OD1-N 3.16Å; N385-A388 HydrophobicContact CB-CB 3.93Å; N385-A388 PolarHBondContact O-N 3.05Å | ||
| 386 | P | 92.7 | Very high | 93.3 | Very high | 58 Ų | 58 | 80.7 Ų | 80.7 | 38% | 0.377 | 46% | 0.458 | S | S | . | . | G | 310 helix | trans | -54.8 | -33.6 | 178.4 | -27.7 | 36.2 | 0 | 0 | 0 | 114 | Y384 A388 L389 | Y384-P386 HydrophobicContact CD2-CG 4.4Å; Y384-P386 HydrophobicContact CE2-CB 4.22Å; Y384-P386 HydrophobicContact CE2-CG 3.81Å; Y384-P386 WeakPolarHBondContact O-CD 3.28Å; P386-A388 VanDerWaalsContact C-N 3.26Å; P386-A388 PolarHBondContact O-N 2.9Å; P386-L389 WeakPolarHBondContact O-CB 3.49Å; P386-L389 WeakPolarHBondContact O-CG 3.21Å; P386-L389 PolarHBondContact O-N 2.76Å |
| 387 | D | 93.7 | Very high | 93.6 | Very high | 151 Ų | 151 | 81.7 Ų | 81.7 | 81% | 0.807 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -75.2 | -14.8 | -179.5 | -61.6 | -40.4 | 0 | 0 | 0 | 113.1 | N385 | N385-D387 PolarHBondContact O-N 3.02Å; N385-D387 PolarHBondContact OD1-N 3.12Å; N385-D387 VanDerWaalsContact OD1-N 3.16Å |
| 388 | A | 92.8 | Very high | 93.6 | Very high | 64 Ų | 64 | 89 Ų | 89 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -97.6 | -1.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | N385 P386 | N385-A388 HydrophobicContact CB-CB 3.93Å; N385-A388 PolarHBondContact O-N 3.05Å; P386-A388 VanDerWaalsContact C-N 3.26Å; P386-A388 PolarHBondContact O-N 2.9Å |
| 389 | L | 95.6 | Very high | 93.1 | Very high | 9 Ų | 9 | 87.9 Ų | 87.9 | 5% | 0.047 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -65.3 | 149.1 | 176.9 | -66.2 | -174.2 | 0 | 0 | 0 | 111.2 | E242 R245 L246 T249 Y384 P386 T391 | E242-L389 HydrophobicContact CB-CD1 4.03Å; E242-L389 HydrophobicContact CG-CD1 4.14Å; R245-L389 HydrophobicContact CB-CB 4.18Å; R245-L389 HydrophobicContact CB-CD1 4.18Å; L246-L389 HydrophobicContact CB-CD1 4.45Å; L246-L389 HydrophobicContact CB-CD2 4.11Å; L246-L389 HydrophobicContact CD1-CD2 3.87Å; T249-L389 HydrophobicContact CG2-CD2 4.34Å; Y384-L389 HydrophobicContact CD2-CD1 4.16Å; Y384-L389 HydrophobicContact CD2-CD2 3.81Å; Y384-L389 HydrophobicContact CD2-CG 4.11Å; Y384-L389 HydrophobicContact CE2-CD1 3.8Å; Y384-L389 HydrophobicContact CE2-CD2 4.31Å; Y384-L389 HydrophobicContact CE2-CG 4.24Å; P386-L389 WeakPolarHBondContact O-CB 3.49Å; P386-L389 WeakPolarHBondContact O-CG 3.21Å; P386-L389 PolarHBondContact O-N 2.76Å; L389-T391 PolarHBondContact O-N 3.1Å |
| 390 | M | 91.8 | Very high | 92.1 | Very high | 66 Ų | 66 | 94.5 Ų | 94.5 | 33% | 0.325 | 50% | 0.5 | S | S | . | . | trans | -58.5 | 122.1 | 172.8 | -69.3 | 171.8 | 76.5 | 0 | 0 | 110 | R245 Q248 T249 E252 L393 | R245-M390 WeakPolarHBondContact CD-O 3.47Å; R245-M390 WeakPolarHBondContact CG-O 3.35Å; Q248-M390 HydrophobicContact CB-SD 4.07Å; T249-M390 WeakPolarHBondContact OG1-CG 3.43Å; T249-M390 PolarHBondContact OG1-N 2.97Å; E252-M390 HydrophobicContact CB-SD 4.4Å; M390-L393 HydrophobicContact CB-CD2 3.98Å; M390-L393 HydrophobicContact CE-CD2 4.19Å | ||
| 391 | T | 88.5 | Confident | 90.8 | Very high | 101 Ų | 101 | 98.1 Ų | 98.1 | 62% | 0.62 | 50% | 0.504 | S | S | * | . | trans | -96.8 | -33.1 | -178.7 | 53.9 | 0 | 0 | 0 | 0 | 113 | L389 L393 | L389-T391 PolarHBondContact O-N 3.1Å; T391-L393 VanDerWaalsContact C-N 3.31Å; T391-L393 PolarHBondContact O-N 3.45Å | ||
| 392 | D | 86.3 | Confident | 89 | Confident | 149 Ų | 149 | 99.6 Ų | 99.6 | 80% | 0.797 | 52% | 0.515 | S | S | * | . | trans | -95.7 | 47.8 | -167.1 | -67.8 | -1.6 | 0 | 0 | 0 | 112.2 | ||||
| 393 | L | 89.3 | Confident | 87 | Confident | 37 Ų | 37 | 109.5 Ų | 109.5 | 19% | 0.194 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 133.3 | 179.7 | -61.5 | -178.1 | 0 | 0 | 0 | 111.3 | M244 R245 Q248 M390 T391 | M244-L393 HydrophobicContact CG-CD1 4.38Å; R245-L393 HydrophobicContact CB-CD1 4.38Å; R245-L393 HydrophobicContact CG-CD1 3.54Å; R245-L393 HydrophobicContact CG-CG 4.28Å; Q248-L393 HydrophobicContact CB-CD2 4.25Å; M390-L393 HydrophobicContact CB-CD2 3.98Å; M390-L393 HydrophobicContact CE-CD2 4.19Å; T391-L393 VanDerWaalsContact C-N 3.31Å; T391-L393 PolarHBondContact O-N 3.45Å |
| 394 | P | 92.2 | Very high | 85.1 | Confident | 48 Ų | 48 | 106.4 Ų | 106.4 | 31% | 0.312 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -56.3 | 151 | 172.8 | -26.2 | 35.8 | 0 | 0 | 0 | 112.3 | A278 D279 | A278-P394 HydrophobicContact CB-CB 3.91Å; D279-P394 HydrophobicContact CB-CG 4.5Å |
| 395 | K | 92.8 | Very high | 82.8 | Confident | 194 Ų | 194 | 107 Ų | 107 | 84% | 0.843 | 57% | 0.568 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 130.7 | 175.2 | -71.4 | -177.8 | 180 | 175.4 | 0 | 109.6 | A278 L397 | A278-K395 VanDerWaalsContact CB-O 3.26Å; A278-K395 WeakPolarHBondContact CB-O 3.42Å; K395-L397 PolarHBondContact O-N 3.19Å |
| 396 | P | 94.3 | Very high | 80.7 | Confident | 52 Ų | 52 | 110.3 Ų | 110.3 | 34% | 0.338 | 59% | 0.586 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 138.2 | -173.6 | 23.8 | -33.4 | 0 | 0 | 0 | 111.6 | G274 | G274-P396 WeakPolarHBondContact O-CA 3.19Š|
| 397 | L | 95.1 | Very high | 78.4 | Confident | 88 Ų | 88 | 110.9 Ų | 110.9 | 46% | 0.461 | 60% | 0.602 | S | S | . | * | P | Polyproline II helix | trans | -64.6 | 148.3 | 168.8 | -62.1 | -174.9 | 0 | 0 | 0 | 109.7 | W273 G274 A277 A278 K395 | W273-L397 HydrophobicContact CZ3-CB 4.39Å; G274-L397 VanDerWaalsContact CA-O 3.23Å; G274-L397 WeakPolarHBondContact CA-O 3.46Å; G274-L397 PolarHBondContact O-N 3.26Å; A277-L397 HydrophobicContact CB-CD1 3.87Å; A278-L397 HydrophobicContact CB-CD2 4.5Å; A278-L397 HydrophobicContact CB-CG 3.98Å; K395-L397 PolarHBondContact O-N 3.19Å |
| 398 | R | 92 | Very high | 76.2 | Confident | 225 Ų | 225 | 109.6 Ų | 109.6 | 85% | 0.849 | 60% | 0.602 | S | S | * | * | trans | -114.3 | 136.9 | 176 | -67.2 | -173.5 | 176.8 | -174.8 | -1.8 | 109.9 | T400 | R398-T400 PolarHBondContact O-N 2.99Š| ||
| 399 | L | 84.9 | Confident | 73.9 | Confident | 59 Ų | 59 | 118 Ų | 118 | 31% | 0.309 | 62% | 0.62 | S | S | . | * | trans | -63.8 | 127.7 | 170.2 | -70 | 169.7 | 0 | 0 | 0 | 110 | E270 W273 L285 R401 | E270-L399 HydrophobicContact CB-CD1 4.23Å; E270-L399 HydrophobicContact CG-CD1 3.58Å; W273-L399 HydrophobicContact CE3-CD2 4.02Å; W273-L399 HydrophobicContact CE3-CG 4.05Å; W273-L399 HydrophobicContact CH2-CD2 3.65Å; W273-L399 HydrophobicContact CH2-CG 4.35Å; W273-L399 HydrophobicContact CZ2-CD2 4.28Å; W273-L399 HydrophobicContact CZ3-CD2 3.5Å; W273-L399 VanDerWaalsContact CZ3-CD2 3.5Å; W273-L399 HydrophobicContact CZ3-CG 3.7Å; L285-L399 HydrophobicContact CD2-CD1 3.67Å; L399-R401 PolarHBondContact O-N 2.86Å | ||
| 400 | T | 77.4 | Confident | 71.5 | Confident | 141 Ų | 141 | 129.4 Ų | 129.4 | 87% | 0.865 | 66% | 0.662 | S | S | * | * | trans | -68.4 | 100.9 | 171.4 | -41 | 0 | 0 | 0 | 0 | 108.6 | R398 | R398-T400 PolarHBondContact O-N 2.99Š| ||
| 401 | R | 69.3 | Low | 69.4 | Low | 151 Ų | 151 | 132.6 Ų | 132.6 | 57% | 0.57 | 69% | 0.686 | S | S | * | * | trans | -72.7 | 132.8 | 169.2 | -67.5 | -175.7 | -179.7 | 156.3 | 5.3 | 108.2 | E270 L399 R403 | E270-R401 IonicContact OE2-CZ 2.96Å; E270-R401 IonicContact OE2-NH2 2.66Å; E270-R401 PolarHBondContact OE2-NH2 3.35Å; L399-R401 PolarHBondContact O-N 2.86Å; R401-R403 PolarHBondContact O-N 3.16Å; R401-R403 VanDerWaalsContact O-N 3.09Å | ||
| 402 | P | 60.4 | Low | 67.1 | Low | 116 Ų | 116 | 131.4 Ų | 131.4 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | trans | -53.3 | 123.6 | 169 | -17.5 | 27.7 | 0 | 0 | 0 | 107.4 | T404 | P402-T404 PolarHBondContact O-N 3.18Š| ||
| 403 | R | 53.6 | Low | 65.2 | Low | 244 Ų | 244 | 128.8 Ų | 128.8 | 92% | 0.921 | 69% | 0.693 | S | S | * | * | trans | -59.6 | 111.1 | 169.5 | -69.1 | 178.1 | 95.1 | 120.1 | -0.9 | 105.2 | R401 G405 | R401-R403 PolarHBondContact O-N 3.16Å; R401-R403 VanDerWaalsContact O-N 3.09Å; R403-G405 PolarHBondContact O-N 3.4Å | ||
| 404 | T | 55.1 | Low | 63.3 | Low | 136 Ų | 136 | 133.1 Ų | 133.1 | 83% | 0.834 | 72% | 0.723 | S | S | * | * | trans | -62 | 91.8 | 167.8 | 47.3 | 0 | 0 | 0 | 0 | 106.3 | P402 N406 | P402-T404 PolarHBondContact O-N 3.18Å; T404-N406 VanDerWaalsContact C-N 3.3Å; T404-N406 PolarHBondContact O-N 3.39Å | ||
| 405 | G | 47 | Very low | 61 | Low | 67 Ų | 67 | 142.5 Ų | 142.5 | 69% | 0.691 | 75% | 0.752 | S | S | * | * | trans | -70.3 | 87.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | R403 | R403-G405 PolarHBondContact O-N 3.4Š| ||
| 406 | N | 50.8 | Low | 58.9 | Low | 161 Ų | 161 | 140.9 Ų | 140.9 | 86% | 0.861 | 75% | 0.753 | S | S | * | * | trans | -154.6 | 38.1 | 162.6 | -110.8 | 4.2 | 0 | 0 | 0 | 111.8 | T404 | T404-N406 VanDerWaalsContact C-N 3.3Å; T404-N406 PolarHBondContact O-N 3.39Å | ||
| 407 | G | 43.3 | Very low | 56.5 | Low | 69 Ų | 69 | 149.8 Ų | 149.8 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -74.4 | 125.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | R409 | G407-R409 PolarHBondContact O-N 3.18Š|
| 408 | P | 47.2 | Very low | 54.1 | Low | 125 Ų | 125 | 157.4 Ų | 157.4 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -57.3 | 124.4 | -175.4 | 21.2 | -31.5 | 0 | 0 | 0 | 110.2 | R410 | P408-R410 PolarHBondContact O-N 3.18Š| ||
| 409 | R | 46.3 | Very low | 51.9 | Low | 240 Ų | 240 | 158.5 Ų | 158.5 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | trans | -46.9 | 113.3 | 170.6 | -97.4 | 176.3 | 168.2 | 171 | -3.5 | 107.8 | G407 T411 | G407-R409 PolarHBondContact O-N 3.18Å; R409-T411 VanDerWaalsContact C-N 3.33Å; R409-T411 PolarHBondContact O-N 2.83Å | ||
| 410 | R | 45.1 | Very low | 50.2 | Low | 248 Ų | 248 | 161.3 Ų | 161.3 | 94% | 0.936 | 83% | 0.831 | S | S | * | * | trans | -52.8 | 100.7 | 165.9 | -87.3 | 176.1 | 141.1 | 177.4 | -5.5 | 107.8 | P408 G412 | P408-R410 PolarHBondContact O-N 3.18Å; R410-G412 PolarHBondContact O-N 3.43Å | ||
| 411 | T | 46.7 | Very low | 48.5 | Very low | 133 Ų | 133 | 161.7 Ų | 161.7 | 82% | 0.816 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.4 | 169 | 44 | 0 | 0 | 0 | 0 | 107.8 | R409 | R409-T411 VanDerWaalsContact C-N 3.33Å; R409-T411 PolarHBondContact O-N 2.83Å |
| 412 | G | 41.1 | Very low | 47.5 | Very low | 76 Ų | 76 | 162.3 Ų | 162.3 | 78% | 0.784 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 142.1 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | R410 | R410-G412 PolarHBondContact O-N 3.43Š|
| 413 | A | 45.3 | Very low | 46.8 | Very low | 95 Ų | 95 | 164.7 Ų | 164.7 | 79% | 0.785 | 88% | 0.884 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 144.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | R415 | A413-R415 PolarHBondContact O-N 3.08Š|
| 414 | P | 49.1 | Very low | 46.4 | Very low | 127 Ų | 127 | 160.3 Ų | 160.3 | 83% | 0.825 | 88% | 0.882 | S | S | * | * | P | Polyproline II helix | trans | -67 | 126 | 178.1 | -12.4 | 26.8 | 0 | 0 | 0 | 110.4 | N416 | P414-N416 PolarHBondContact O-N 3.08Å; P414-N416 VanDerWaalsContact O-N 3.08Å |
| 415 | R | 45.5 | Very low | 45.9 | Very low | 246 Ų | 246 | 161.7 Ų | 161.7 | 93% | 0.928 | 89% | 0.885 | S | S | * | * | trans | -68.5 | 104.5 | 177.6 | -158.8 | 171.4 | 174.9 | 172 | -2.2 | 108.8 | A413 R417 | A413-R415 PolarHBondContact O-N 3.08Å; R415-R417 PolarHBondContact O-N 3.34Å; R415-R417 VanDerWaalsContact O-N 3.08Å | ||
| 416 | N | 46.7 | Very low | 45.8 | Very low | 160 Ų | 160 | 167.6 Ų | 167.6 | 86% | 0.856 | 90% | 0.897 | S | S | * | * | trans | -61.6 | 104.9 | -177.9 | -146.9 | 2.5 | 0 | 0 | 0 | 110.2 | P414 R418 | P414-N416 PolarHBondContact O-N 3.08Å; P414-N416 VanDerWaalsContact O-N 3.08Å; N416-R418 PolarHBondContact O-N 3.2Å | ||
| 417 | R | 44.5 | Very low | 45.5 | Very low | 238 Ų | 238 | 168.1 Ų | 168.1 | 90% | 0.898 | 90% | 0.9 | S | S | * | * | trans | -72.8 | 103.4 | 174 | -85.4 | -177.6 | 172.4 | 175.5 | -2.4 | 108.6 | R415 R419 | R415-R417 PolarHBondContact O-N 3.34Å; R415-R417 VanDerWaalsContact O-N 3.08Å; R417-R419 PolarHBondContact O-N 3.17Å | ||
| 418 | R | 44.7 | Very low | 45.7 | Very low | 248 Ų | 248 | 175.1 Ų | 175.1 | 94% | 0.936 | 91% | 0.913 | S | S | * | * | trans | -57 | 114 | 164.8 | -87.4 | 178.4 | 162.2 | 172.2 | -6 | 109.2 | N416 | N416-R418 PolarHBondContact O-N 3.2Š| ||
| 419 | R | 45.1 | Very low | 45.5 | Very low | 249 Ų | 249 | 179 Ų | 179 | 94% | 0.94 | 92% | 0.921 | S | S | * | * | trans | -75.7 | 108.8 | 154.7 | -92.6 | -179.7 | 167 | 173.9 | -4.7 | 106.8 | R417 | R417-R419 PolarHBondContact O-N 3.17Š| ||
| 420 | S | 50.1 | Low | 45.5 | Very low | 117 Ų | 117 | 173.9 Ų | 173.9 | 82% | 0.818 | 92% | 0.922 | S | S | * | * | trans | -70.8 | 122.2 | 157.5 | 40.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 421 | G | 41.8 | Very low | 45.5 | Very low | 150 Ų | 150 | 167.2 Ų | 167.2 | 100% | 1.546 | 92% | 0.921 | S | S | * | * | trans | -77.5 | 0 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.1 |
Retrieved 421 of 421 residues in 600.9 ms
(Link to these results)