| 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 | 39.4 | Very low | 63.6 | Low | 243 Ų | 243 | 87 Ų | 87 | 100% | 1.197 | 56% | 0.557 | S | S | * | * | 0 | 84.9 | 0 | -75.6 | 163.8 | 153.5 | 0 | 0 | 106.8 | G3 | M1-G3 PolarHBondContact O-N 3.19Š| |||
| 2 | S | 42 | Very low | 66 | Low | 120 Ų | 120 | 79.8 Ų | 79.8 | 84% | 0.839 | 51% | 0.511 | S | S | * | . | trans | -80.7 | 100.6 | -175.2 | -53.4 | 0 | 0 | 0 | 0 | 108.2 | S4 | S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 VanDerWaalsContact O-N 3.15Å | ||
| 3 | G | 45.1 | Very low | 68.1 | Low | 69 Ų | 69 | 80.9 Ų | 80.9 | 71% | 0.711 | 50% | 0.499 | S | S | * | . | trans | -67.8 | 105.6 | 167 | 0 | 0 | 0 | 0 | 0 | 107.8 | M1 T5 | M1-G3 PolarHBondContact O-N 3.19Å; G3-T5 PolarHBondContact O-N 2.7Å | ||
| 4 | S | 47.8 | Very low | 69.8 | Low | 94 Ų | 94 | 75.1 Ų | 75.1 | 66% | 0.657 | 46% | 0.463 | S | S | * | . | trans | -61.3 | 101.5 | 170.8 | -43.2 | 0 | 0 | 0 | 0 | 107.4 | S2 S6 | S2-S4 PolarHBondContact O-N 3.07Å; S2-S4 VanDerWaalsContact O-N 3.15Å; S4-S6 PolarHBondContact O-N 3.25Å | ||
| 5 | T | 55 | Low | 71.3 | Confident | 90 Ų | 90 | 72.3 Ų | 72.3 | 55% | 0.552 | 44% | 0.444 | S | S | * | . | trans | -57.2 | 126.8 | 171.4 | 33.4 | 0 | 0 | 0 | 0 | 108.1 | G3 A7 D8 | G3-T5 PolarHBondContact O-N 2.7Å; T5-A7 PolarHBondContact O-N 3.29Å; T5-D8 PolarHBondContact O-N 2.85Å; T5-D8 PolarHBondContact OG1-OD2 3.07Å | ||
| 6 | S | 58.9 | Low | 72.5 | Confident | 98 Ų | 98 | 68.3 Ų | 68.3 | 69% | 0.685 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -56.2 | -12.2 | -177.5 | -43.9 | 0 | 0 | 0 | 0 | 114 | S4 D8 M9 | S4-S6 PolarHBondContact O-N 3.25Å; S6-D8 VanDerWaalsContact C-N 3.28Å; S6-D8 PolarHBondContact O-N 3.23Å; S6-M9 PolarHBondContact O-N 2.87Å |
| 7 | A | 64.8 | Low | 73.1 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 58% | 0.579 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -64.1 | -25.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | T5 | T5-A7 PolarHBondContact O-N 3.29Š|
| 8 | D | 80.2 | Confident | 73.6 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 48% | 0.476 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -95.8 | 1.9 | -178.5 | -62.8 | -80 | 0 | 0 | 0 | 113.2 | T5 S6 P28 | T5-D8 PolarHBondContact O-N 2.85Å; T5-D8 PolarHBondContact OG1-OD2 3.07Å; S6-D8 VanDerWaalsContact C-N 3.28Å; S6-D8 PolarHBondContact O-N 3.23Å; D8-P28 VanDerWaalsContact O-CD 3.26Å; D8-P28 WeakPolarHBondContact O-CD 3.35Å |
| 9 | M | 85.8 | Confident | 74.2 | Confident | 43 Ų | 43 | 68.5 Ų | 68.5 | 21% | 0.212 | 43% | 0.434 | C | S | . | . | trans | -98 | 151.9 | 179.2 | -58.1 | -170.2 | 86.6 | 0 | 0 | 111.4 | S6 L25 G81 | S6-M9 PolarHBondContact O-N 2.87Å; M9-L25 HydrophobicContact CB-CD2 3.99Å; M9-L25 HydrophobicContact CE-CB 3.92Å; M9-L25 HydrophobicContact SD-CB 4.41Å; M9-G81 PolarHBondContact O-N 3.44Å; M9-G81 VanDerWaalsContact O-N 3.16Å | ||
| 10 | I | 89.4 | Confident | 75 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.1 | 175.6 | -60.3 | 170.5 | 0 | 0 | 0 | 107.2 | L12 F26 P28 L73 L78 L80 | I10-L12 HydrophobicContact CG2-CD2 3.72Å; I10-L12 HydrophobicContact CG2-CG 4.21Å; I10-L12 PolarHBondContact O-N 3.36Å; I10-F26 PolarHBondContact N-O 2.84Å; I10-F26 PolarHBondContact O-N 2.76Å; I10-P28 HydrophobicContact CD1-CB 3.97Å; I10-L73 HydrophobicContact CB-CD1 4.27Å; I10-L73 HydrophobicContact CD1-CB 3.61Å; I10-L73 HydrophobicContact CD1-CD1 4.05Å; I10-L73 HydrophobicContact CD1-CG 4.48Å; I10-L73 HydrophobicContact CG2-CD1 4.39Å; I10-L78 HydrophobicContact CD1-CB 4.21Å; I10-L78 HydrophobicContact CG2-CD1 4.25Å; I10-L80 HydrophobicContact CD1-CD2 4.04Å; I10-L80 HydrophobicContact CG1-CD2 3.64Å |
| 11 | N | 91.2 | Very high | 75.8 | Confident | 40 Ų | 40 | 68.1 Ų | 68.1 | 21% | 0.214 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 114.1 | 171.9 | -170.8 | -19.5 | 0 | 0 | 0 | 108.3 | F24 L25 T83 T84 | N11-F24 CarbonylContact C-O 3.57Å; N11-F24 PolarHBondContact OD1-O 3.12Å; N11-L25 HydrophobicContact CB-CD2 4.2Å; N11-T83 CarbonylContact O-C 3.51Å; N11-T83 VanDerWaalsContact O-CA 3.27Å; N11-T83 WeakPolarHBondContact O-CA 3.41Å; N11-T84 PolarHBondContact O-N 2.81Å |
| 12 | L | 92 | Very high | 78.2 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.1 | 175.6 | -67.9 | -170.3 | 0 | 0 | 0 | 110.1 | I10 L14 E23 F24 F26 I35 L73 L78 T84 M86 | I10-L12 HydrophobicContact CG2-CD2 3.72Å; I10-L12 HydrophobicContact CG2-CG 4.21Å; I10-L12 PolarHBondContact O-N 3.36Å; L12-L14 HydrophobicContact CB-CD2 4.46Å; L12-E23 CarbonylContact O-C 3.53Å; L12-E23 WeakPolarHBondContact O-CA 3.23Å; L12-F24 PolarHBondContact N-O 2.85Å; L12-F24 PolarHBondContact O-N 3.07Å; L12-F26 HydrophobicContact CB-CD2 4.05Å; L12-F26 HydrophobicContact CB-CE2 4.43Å; L12-F26 HydrophobicContact CD1-CD2 3.59Å; L12-F26 HydrophobicContact CD1-CE2 4.17Å; L12-F26 HydrophobicContact CD1-CG 4.4Å; L12-F26 HydrophobicContact CG-CD2 3.95Å; L12-I35 HydrophobicContact CD1-CD1 3.87Å; L12-I35 HydrophobicContact CD1-CG2 4.42Å; L12-L73 HydrophobicContact CD1-CD1 3.76Å; L12-L73 HydrophobicContact CD1-CD2 3.83Å; L12-L73 HydrophobicContact CD1-CG 4.42Å; L12-L73 HydrophobicContact CD2-CD1 4.49Å; L12-L73 HydrophobicContact CD2-CD2 4.33Å; L12-L73 HydrophobicContact CG-CD1 4.22Å; L12-L78 HydrophobicContact CD2-CD1 4.41Å; L12-T84 WeakPolarHBondContact CA-O 3.36Å; L12-T84 HydrophobicContact CD2-CG2 4.22Å; L12-M86 HydrophobicContact CD1-SD 4.25Å; L12-M86 HydrophobicContact CD2-CE 4.03Å; L12-M86 HydrophobicContact CD2-SD 4.19Å |
| 13 | R | 93.3 | Very high | 80.6 | Confident | 95 Ų | 95 | 59.2 Ų | 59.2 | 36% | 0.358 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 105.9 | 167.1 | -174.3 | 176 | -65.4 | -171.8 | -4.7 | 108.9 | K22 E23 T83 T84 V85 M86 | R13-K22 CarbonylContact C-O 3.56Å; R13-K22 WeakPolarHBondContact CA-O 3.28Å; R13-E23 HydrophobicContact CB-CG 4.06Å; R13-E23 HydrophobicContact CG-CG 4Å; R13-E23 IonicContact CZ-OE1 2.73Å; R13-E23 IonicContact NE-OE1 3.69Å; R13-E23 PolarHBondContact NE-OE1 2.9Å; R13-E23 VanDerWaalsContact NE-OE1 3.09Å; R13-E23 IonicContact NH2-OE1 3.09Å; R13-E23 PolarHBondContact NH2-OE1 3.41Å; R13-E23 IonicContact NH2-OE2 3.33Å; R13-T83 HydrophobicContact CB-CG2 3.79Å; R13-T84 PolarHBondContact N-O 3.07Å; R13-V85 HydrophobicContact CB-CG2 4.27Å; R13-V85 WeakPolarHBondContact O-CA 3.2Å; R13-M86 PolarHBondContact O-N 3.19Å |
| 14 | L | 92.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 133.3 | 176.9 | -60.2 | -176.9 | 0 | 0 | 0 | 110.2 | L12 T21 K22 F24 I35 V39 W47 M86 | L12-L14 HydrophobicContact CB-CD2 4.46Å; L14-T21 CarbonylContact O-C 3.58Å; L14-T21 WeakPolarHBondContact O-CA 3.22Å; L14-K22 PolarHBondContact N-O 3.3Å; L14-K22 PolarHBondContact O-N 2.96Å; L14-F24 HydrophobicContact CD1-CD2 3.77Å; L14-F24 HydrophobicContact CD1-CE2 3.96Å; L14-F24 HydrophobicContact CG-CD2 4.12Å; L14-I35 HydrophobicContact CD1-CG2 4.47Å; L14-V39 HydrophobicContact CD1-CB 4.4Å; L14-V39 HydrophobicContact CD1-CG1 4.29Å; L14-V39 HydrophobicContact CD1-CG2 3.31Å; L14-W47 HydrophobicContact CB-CH2 4.13Å; L14-M86 CarbonylContact C-O 3.22Å; L14-M86 VanDerWaalsContact CA-O 3.3Å; L14-M86 WeakPolarHBondContact CA-O 3.38Å; L14-M86 HydrophobicContact CD2-CB 3.93Å |
| 15 | I | 92.2 | Very high | 84.8 | Confident | 33 Ų | 33 | 57.5 Ų | 57.5 | 17% | 0.169 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 123.1 | 178.6 | -52.5 | -169.9 | 0 | 0 | 0 | 108.8 | K20 T21 V85 M86 H87 L88 | I15-K20 WeakPolarHBondContact CA-O 3.49Å; I15-T21 HydrophobicContact CB-CG2 4.2Å; I15-T21 HydrophobicContact CD1-CG2 4.14Å; I15-T21 HydrophobicContact CG1-CG2 3.69Å; I15-T21 HydrophobicContact CG2-CG2 4.07Å; I15-V85 HydrophobicContact CD1-CG1 3.34Å; I15-V85 HydrophobicContact CG1-CG1 3.85Å; I15-M86 PolarHBondContact N-O 2.97Å; I15-H87 CarbonylContact O-C 3.54Å; I15-H87 VanDerWaalsContact O-CA 3.28Å; I15-H87 WeakPolarHBondContact O-CA 3.22Å; I15-L88 PolarHBondContact O-N 2.73Å |
| 16 | L | 89.4 | Confident | 86.6 | Confident | 8 Ų | 8 | 53.6 Ų | 53.6 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 162.8 | 171.9 | -98 | 66.3 | 0 | 0 | 0 | 111.5 | S18 G19 K20 W43 W47 E50 L88 | L16-S18 PolarHBondContact O-N 3.09Å; L16-G19 WeakPolarHBondContact O-CA 3.48Å; L16-G19 PolarHBondContact O-N 2.81Å; L16-K20 HydrophobicContact CB-CB 4.45Å; L16-K20 PolarHBondContact N-O 2.83Å; L16-W43 HydrophobicContact CD2-CZ2 4.27Å; L16-W47 HydrophobicContact CD1-CD2 3.5Å; L16-W47 VanDerWaalsContact CD1-CD2 3.5Å; L16-W47 HydrophobicContact CD1-CE3 3.41Å; L16-W47 VanDerWaalsContact CD1-CE3 3.41Å; L16-W47 HydrophobicContact CD1-CG 4.33Å; L16-W47 HydrophobicContact CD1-CH2 3.38Å; L16-W47 HydrophobicContact CD1-CZ2 3.46Å; L16-W47 VanDerWaalsContact CD1-CZ2 3.46Å; L16-W47 HydrophobicContact CD1-CZ3 3.38Å; L16-W47 HydrophobicContact CD2-CB 3.97Å; L16-W47 HydrophobicContact CD2-CD2 3.71Å; L16-W47 HydrophobicContact CD2-CE3 4.1Å; L16-W47 HydrophobicContact CD2-CG 3.65Å; L16-W47 HydrophobicContact CG-CD2 4.24Å; L16-W47 HydrophobicContact CG-CE3 4.4Å; L16-E50 HydrophobicContact CD2-CB 3.92Å; L16-E50 HydrophobicContact CD2-CG 4.32Å; L16-L88 HydrophobicContact CD1-CB 4.46Å; L16-L88 HydrophobicContact CD1-CD2 4.32Å |
| 17 | V | 83.6 | Confident | 88 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.5 | 174.2 | -64.3 | 0 | 0 | 0 | 0 | 112.7 | G19 E50 V89 | V17-G19 PolarHBondContact O-N 2.92Å; V17-E50 WeakPolarHBondContact CG2-OE2 3.46Å; V17-V89 HydrophobicContact CG1-CB 4.13Å; V17-V89 HydrophobicContact CG1-CG1 3.64Å |
| 18 | S | 82.1 | Confident | 89.2 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 51% | 0.51 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -13.8 | 172.6 | -178 | 0 | 0 | 0 | 0 | 114.1 | L16 E50 | L16-S18 PolarHBondContact O-N 3.09Å; S18-E50 WeakPolarHBondContact CB-OE2 3.35Å |
| 19 | G | 85.1 | Confident | 89.7 | Confident | 51 Ų | 51 | 51.6 Ų | 51.6 | 53% | 0.526 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 89.5 | -0.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | L16 V17 | L16-G19 WeakPolarHBondContact O-CA 3.48Å; L16-G19 PolarHBondContact O-N 2.81Å; V17-G19 PolarHBondContact O-N 2.92Å |
| 20 | K | 89.1 | Confident | 90 | Very high | 56 Ų | 56 | 51.8 Ų | 51.8 | 24% | 0.243 | 29% | 0.287 | C | S | . | . | trans | -65.6 | 139.3 | 172 | -60.2 | -177.7 | -177.8 | 170.6 | 0 | 109.5 | I15 L16 D46 E49 | I15-K20 WeakPolarHBondContact CA-O 3.49Å; L16-K20 HydrophobicContact CB-CB 4.45Å; L16-K20 PolarHBondContact N-O 2.83Å; K20-D46 WeakPolarHBondContact CD-O 3.46Å; K20-D46 WeakPolarHBondContact CE-O 3.47Å; K20-D46 PolarHBondContact NZ-O 3.06Å; K20-E49 IonicContact NZ-OE2 3.25Å; K20-E49 PolarHBondContact NZ-OE2 2.89Å | ||
| 21 | T | 91.9 | Very high | 90.1 | Very high | 72 Ų | 72 | 52.5 Ų | 52.5 | 44% | 0.442 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 145.2 | -179.2 | 72.5 | 0 | 0 | 0 | 0 | 112 | L14 I15 | L14-T21 CarbonylContact O-C 3.58Å; L14-T21 WeakPolarHBondContact O-CA 3.22Å; I15-T21 HydrophobicContact CB-CG2 4.2Å; I15-T21 HydrophobicContact CD1-CG2 4.14Å; I15-T21 HydrophobicContact CG1-CG2 3.69Å; I15-T21 HydrophobicContact CG2-CG2 4.07Å |
| 22 | K | 90.9 | Very high | 90.2 | Very high | 84 Ų | 84 | 50.8 Ų | 50.8 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.2 | 176.9 | -166.7 | 75.7 | 167.9 | -168.2 | 0 | 110.1 | R13 L14 F24 P44 W47 | R13-K22 CarbonylContact C-O 3.56Å; R13-K22 WeakPolarHBondContact CA-O 3.28Å; L14-K22 PolarHBondContact N-O 3.3Å; L14-K22 PolarHBondContact O-N 2.96Å; K22-F24 HydrophobicContact CB-CD2 4.41Å; K22-F24 HydrophobicContact CB-CE2 3.7Å; K22-F24 HydrophobicContact CB-CZ 4.23Å; K22-F24 HydrophobicContact CG-CD2 4.28Å; K22-F24 HydrophobicContact CG-CE1 4.44Å; K22-F24 HydrophobicContact CG-CE2 3.56Å; K22-F24 HydrophobicContact CG-CZ 3.65Å; K22-P44 HydrophobicContact CD-CB 4.43Å; K22-P44 HydrophobicContact CG-CG 4.46Å; K22-W47 HydrophobicContact CB-CH2 3.49Å; K22-W47 VanDerWaalsContact CB-CH2 3.49Å; K22-W47 HydrophobicContact CB-CZ2 3.17Å; K22-W47 HydrophobicContact CG-CH2 4.47Å; K22-W47 HydrophobicContact CG-CZ2 4.32Å |
| 23 | E | 92.1 | Very high | 90.1 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 135.2 | -179 | -64.2 | -178.3 | 117.6 | 0 | 0 | 110.2 | L12 R13 | L12-E23 CarbonylContact O-C 3.53Å; L12-E23 WeakPolarHBondContact O-CA 3.23Å; R13-E23 HydrophobicContact CB-CG 4.06Å; R13-E23 HydrophobicContact CG-CG 4Å; R13-E23 IonicContact CZ-OE1 2.73Å; R13-E23 IonicContact NE-OE1 3.69Å; R13-E23 PolarHBondContact NE-OE1 2.9Å; R13-E23 VanDerWaalsContact NE-OE1 3.09Å; R13-E23 IonicContact NH2-OE1 3.09Å; R13-E23 PolarHBondContact NH2-OE1 3.41Å; R13-E23 IonicContact NH2-OE2 3.33Å |
| 24 | F | 91.2 | Very high | 90 | Very high | 26 Ų | 26 | 52.3 Ų | 52.3 | 11% | 0.114 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 150.9 | 179.9 | -65.6 | -85.7 | 0 | 0 | 0 | 109.6 | N11 L12 L14 K22 F26 V39 W47 | N11-F24 CarbonylContact C-O 3.57Å; N11-F24 PolarHBondContact OD1-O 3.12Å; L12-F24 PolarHBondContact N-O 2.85Å; L12-F24 PolarHBondContact O-N 3.07Å; L14-F24 HydrophobicContact CD1-CD2 3.77Å; L14-F24 HydrophobicContact CD1-CE2 3.96Å; L14-F24 HydrophobicContact CG-CD2 4.12Å; K22-F24 HydrophobicContact CB-CD2 4.41Å; K22-F24 HydrophobicContact CB-CE2 3.7Å; K22-F24 HydrophobicContact CB-CZ 4.23Å; K22-F24 HydrophobicContact CG-CD2 4.28Å; K22-F24 HydrophobicContact CG-CE1 4.44Å; K22-F24 HydrophobicContact CG-CE2 3.56Å; K22-F24 HydrophobicContact CG-CZ 3.65Å; F24-F26 HydrophobicContact CB-CD2 3.95Å; F24-F26 HydrophobicContact CB-CE2 3.29Å; F24-F26 HydrophobicContact CB-CZ 3.88Å; F24-F26 HydrophobicContact CG-CE2 4.1Å; F24-F26 HydrophobicContact CG-CZ 4.37Å; F24-V39 HydrophobicContact CD2-CG2 4.34Å; F24-V39 HydrophobicContact CE2-CG1 4.39Å; F24-V39 HydrophobicContact CE2-CG2 4.15Å; F24-V39 HydrophobicContact CZ-CG1 4.31Å; F24-V39 HydrophobicContact CZ-CG2 4.31Å; F24-W47 HydrophobicContact CE2-CH2 4.01Å; F24-W47 HydrophobicContact CE2-CZ3 4.31Å |
| 25 | L | 90.7 | Very high | 90 | Very high | 102 Ų | 102 | 52.3 Ų | 52.3 | 53% | 0.534 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 120.3 | 177.6 | -79.8 | 157.4 | 0 | 0 | 0 | 109.3 | M9 N11 | M9-L25 HydrophobicContact CB-CD2 3.99Å; M9-L25 HydrophobicContact CE-CB 3.92Å; M9-L25 HydrophobicContact SD-CB 4.41Å; N11-L25 HydrophobicContact CB-CD2 4.2Å |
| 26 | F | 91 | Very high | 89.9 | Confident | 7 Ų | 7 | 51 Ų | 51 | 3% | 0.031 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 156.8 | 179.3 | -68.2 | -73.2 | 0 | 0 | 0 | 111.4 | I10 L12 F24 D30 I35 H38 V39 L73 | I10-F26 PolarHBondContact N-O 2.84Å; I10-F26 PolarHBondContact O-N 2.76Å; L12-F26 HydrophobicContact CB-CD2 4.05Å; L12-F26 HydrophobicContact CB-CE2 4.43Å; L12-F26 HydrophobicContact CD1-CD2 3.59Å; L12-F26 HydrophobicContact CD1-CE2 4.17Å; L12-F26 HydrophobicContact CD1-CG 4.4Å; L12-F26 HydrophobicContact CG-CD2 3.95Å; F24-F26 HydrophobicContact CB-CD2 3.95Å; F24-F26 HydrophobicContact CB-CE2 3.29Å; F24-F26 HydrophobicContact CB-CZ 3.88Å; F24-F26 HydrophobicContact CG-CE2 4.1Å; F24-F26 HydrophobicContact CG-CZ 4.37Å; F26-D30 HydrophobicContact CB-CB 4.46Å; F26-D30 HydrophobicContact CD1-CB 4.5Å; F26-I35 HydrophobicContact CD1-CG1 3.86Å; F26-I35 HydrophobicContact CD2-CG1 4.2Å; F26-I35 HydrophobicContact CD2-CG2 4.28Å; F26-I35 HydrophobicContact CE1-CB 4.31Å; F26-I35 HydrophobicContact CE1-CG1 3.99Å; F26-I35 HydrophobicContact CE1-CG2 4.26Å; F26-I35 HydrophobicContact CE2-CB 4.45Å; F26-I35 HydrophobicContact CE2-CG1 4.27Å; F26-I35 HydrophobicContact CE2-CG2 3.64Å; F26-I35 HydrophobicContact CG-CG1 3.96Å; F26-I35 HydrophobicContact CZ-CB 4.2Å; F26-I35 HydrophobicContact CZ-CG1 4.2Å; F26-I35 HydrophobicContact CZ-CG2 3.66Å; F26-H38 HydrophobicContact CE1-CB 3.82Å; F26-H38 AromaticContact CE1-CD2 3.65Å; F26-H38 AromaticContact CE1-CG 3.73Å; F26-H38 HydrophobicContact CZ-CB 4.22Å; F26-H38 AromaticContact CZ-CD2 3.72Å; F26-V39 HydrophobicContact CZ-CG2 4.23Å; F26-L73 HydrophobicContact CB-CD1 3.67Å |
| 27 | S | 90.1 | Very high | 90 | Very high | 46 Ų | 46 | 56.2 Ų | 56.2 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | trans | -84.6 | 151.3 | 172.4 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | N29 D30 | S27-N29 PolarHBondContact O-N 2.87Å; S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 VanDerWaalsContact CB-OD2 3.32Å; S27-D30 WeakPolarHBondContact CB-OD2 3.44Å; S27-D30 PolarHBondContact N-OD2 3.43Å; S27-D30 WeakPolarHBondContact O-CB 3.28Å; S27-D30 PolarHBondContact O-N 2.97Å | ||
| 28 | P | 89.4 | Confident | 90.4 | Very high | 33 Ų | 33 | 56.1 Ų | 56.1 | 21% | 0.214 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -20 | 173.4 | 24 | -34.4 | 0 | 0 | 0 | 113.7 | D8 I10 D30 G74 L80 | D8-P28 VanDerWaalsContact O-CD 3.26Å; D8-P28 WeakPolarHBondContact O-CD 3.35Å; I10-P28 HydrophobicContact CD1-CB 3.97Å; P28-D30 VanDerWaalsContact C-N 3.34Å; P28-G74 WeakPolarHBondContact O-CA 3.46Å; P28-G74 PolarHBondContact O-N 2.8Å; P28-L80 HydrophobicContact CB-CD2 4.35Å; P28-L80 HydrophobicContact CG-CD2 4.22Å |
| 29 | N | 89.9 | Confident | 90.8 | Very high | 137 Ų | 137 | 52.6 Ų | 52.6 | 73% | 0.733 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -15.9 | 176.3 | -65 | -45.8 | 0 | 0 | 0 | 113.4 | S27 | S27-N29 PolarHBondContact O-N 2.87Š|
| 30 | D | 91.9 | Very high | 91 | Very high | 47 Ų | 47 | 53.1 Ų | 53.1 | 25% | 0.251 | 28% | 0.276 | S | S | . | . | trans | -71.1 | 134 | -179.2 | -67.5 | -50.8 | 0 | 0 | 0 | 110.6 | F26 S27 P28 I35 T72 L73 | F26-D30 HydrophobicContact CB-CB 4.46Å; F26-D30 HydrophobicContact CD1-CB 4.5Å; S27-D30 WeakPolarHBondContact CA-OD2 3.37Å; S27-D30 VanDerWaalsContact CB-OD2 3.32Å; S27-D30 WeakPolarHBondContact CB-OD2 3.44Å; S27-D30 PolarHBondContact N-OD2 3.43Å; S27-D30 WeakPolarHBondContact O-CB 3.28Å; S27-D30 PolarHBondContact O-N 2.97Å; P28-D30 VanDerWaalsContact C-N 3.34Å; D30-I35 HydrophobicContact CB-CG1 4.23Å; D30-T72 WeakPolarHBondContact O-CA 3.4Å; D30-L73 PolarHBondContact O-N 2.75Å; D30-L73 VanDerWaalsContact O-N 3.14Å | ||
| 31 | S | 93.1 | Very high | 91 | Very high | 15 Ų | 15 | 55.5 Ų | 55.5 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | B | Isolated β-bridge | trans | -86.1 | 159.3 | 177.1 | 78 | 0 | 0 | 0 | 0 | 111.6 | A33 D34 I35 G69 V71 | S31-A33 PolarHBondContact O-N 3.47Å; S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 PolarHBondContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 2.98Å; S31-D34 VanDerWaalsContact OG-CG 3.24Å; S31-D34 PolarHBondContact OG-N 3.43Å; S31-D34 PolarHBondContact OG-OD2 3.47Å; S31-I35 WeakPolarHBondContact O-CG1 3.46Å; S31-I35 PolarHBondContact O-N 3.44Å; S31-G69 VanDerWaalsContact CB-O 3.27Å; S31-G69 WeakPolarHBondContact CB-O 3.41Å; S31-G69 PolarHBondContact OG-O 2.72Å; S31-V71 CarbonylContact C-O 3.6Å; S31-V71 WeakPolarHBondContact CA-O 3.38Å |
| 32 | A | 91.4 | Very high | 90.9 | Very high | 4 Ų | 4 | 56.4 Ų | 56.4 | 3% | 0.033 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.2 | -31.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A36 L60 L67 H68 G69 V71 | A32-A36 VanDerWaalsContact O-CB 3.31Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.84Å; A32-L60 HydrophobicContact CB-CD1 4.4Å; A32-L60 HydrophobicContact CB-CD2 4.39Å; A32-L60 WeakPolarHBondContact O-CD1 3.25Å; A32-L67 HydrophobicContact CB-CB 4.15Å; A32-H68 WeakPolarHBondContact CB-O 3.31Å; A32-G69 PolarHBondContact N-O 2.78Å; A32-V71 PolarHBondContact N-O 3.21Å |
| 33 | A | 90.6 | Very high | 90.7 | Very high | 45 Ų | 45 | 54 Ų | 54 | 37% | 0.372 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | S31 I35 A36 K37 G69 | S31-A33 PolarHBondContact O-N 3.47Å; A33-I35 VanDerWaalsContact C-N 3.33Å; A33-A36 PolarHBondContact O-N 2.91Å; A33-K37 WeakPolarHBondContact O-CB 3.45Å; A33-K37 PolarHBondContact O-N 2.85Å; A33-G69 WeakPolarHBondContact CB-O 3.41Å; A33-G69 PolarHBondContact N-O 2.81Å |
| 34 | D | 92.3 | Very high | 90.4 | Very high | 83 Ų | 83 | 50.3 Ų | 50.3 | 44% | 0.444 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 176.8 | -64 | -50.6 | 0 | 0 | 0 | 111.1 | S31 K37 H38 | S31-D34 WeakPolarHBondContact CB-OD2 3.21Å; S31-D34 PolarHBondContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 2.98Å; S31-D34 VanDerWaalsContact OG-CG 3.24Å; S31-D34 PolarHBondContact OG-N 3.43Å; S31-D34 PolarHBondContact OG-OD2 3.47Å; D34-K37 PolarHBondContact O-N 2.87Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.27Å; D34-H38 PolarHBondContact O-N 2.86Å |
| 35 | I | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -49.8 | 175.3 | -65.3 | 160.6 | 0 | 0 | 0 | 110.5 | L12 L14 F26 D30 S31 A33 K37 H38 V39 L60 L73 | L12-I35 HydrophobicContact CD1-CD1 3.87Å; L12-I35 HydrophobicContact CD1-CG2 4.42Å; L14-I35 HydrophobicContact CD1-CG2 4.47Å; F26-I35 HydrophobicContact CD1-CG1 3.86Å; F26-I35 HydrophobicContact CD2-CG1 4.2Å; F26-I35 HydrophobicContact CD2-CG2 4.28Å; F26-I35 HydrophobicContact CE1-CB 4.31Å; F26-I35 HydrophobicContact CE1-CG1 3.99Å; F26-I35 HydrophobicContact CE1-CG2 4.26Å; F26-I35 HydrophobicContact CE2-CB 4.45Å; F26-I35 HydrophobicContact CE2-CG1 4.27Å; F26-I35 HydrophobicContact CE2-CG2 3.64Å; F26-I35 HydrophobicContact CG-CG1 3.96Å; F26-I35 HydrophobicContact CZ-CB 4.2Å; F26-I35 HydrophobicContact CZ-CG1 4.2Å; F26-I35 HydrophobicContact CZ-CG2 3.66Å; D30-I35 HydrophobicContact CB-CG1 4.23Å; S31-I35 WeakPolarHBondContact O-CG1 3.46Å; S31-I35 PolarHBondContact O-N 3.44Å; A33-I35 VanDerWaalsContact C-N 3.33Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 2.78Å; I35-H38 PolarHBondContact O-N 3.47Å; I35-V39 HydrophobicContact CG2-CG2 4.27Å; I35-V39 WeakPolarHBondContact O-CB 3.39Å; I35-V39 WeakPolarHBondContact O-CG2 3.39Å; I35-V39 PolarHBondContact O-N 2.92Å; I35-L60 HydrophobicContact CB-CD2 4.18Å; I35-L60 HydrophobicContact CD1-CD2 4.2Å; I35-L60 HydrophobicContact CG2-CD2 3.79Å; I35-L73 HydrophobicContact CD1-CD1 3.82Å; I35-L73 HydrophobicContact CD1-CD2 3.67Å; I35-L73 HydrophobicContact CD1-CG 3.7Å |
| 36 | A | 90.9 | Very high | 89.7 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 3% | 0.033 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.2 | -44.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A32 A33 Y40 L58 L60 | A32-A36 VanDerWaalsContact O-CB 3.31Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.84Å; A33-A36 PolarHBondContact O-N 2.91Å; A36-Y40 WeakPolarHBondContact O-CB 3.3Å; A36-Y40 PolarHBondContact O-N 3.21Å; A36-L58 HydrophobicContact CB-CB 3.86Å; A36-L58 HydrophobicContact CB-CD1 4.32Å; A36-L58 WeakPolarHBondContact O-CD1 3.49Å; A36-L60 HydrophobicContact CB-CD1 4.02Å |
| 37 | K | 90.9 | Very high | 89.4 | Confident | 118 Ų | 118 | 57 Ų | 57 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.2 | -47.4 | 175.9 | 179.9 | 171.5 | 178.6 | 166.4 | 0 | 112 | A33 D34 I35 V39 Y40 D41 P55 | A33-K37 WeakPolarHBondContact O-CB 3.45Å; A33-K37 PolarHBondContact O-N 2.85Å; D34-K37 PolarHBondContact O-N 2.87Å; I35-K37 VanDerWaalsContact C-N 3.28Å; I35-K37 PolarHBondContact O-N 2.78Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.33Å; K37-Y40 WeakPolarHBondContact O-CA 3.49Å; K37-Y40 WeakPolarHBondContact O-CB 3.41Å; K37-Y40 PolarHBondContact O-N 3.35Å; K37-Y40 VanDerWaalsContact O-N 3.1Å; K37-D41 WeakPolarHBondContact CG-OD2 3.28Å; K37-D41 PolarHBondContact O-N 2.81Å; K37-P55 HydrophobicContact CB-CB 4.32Å |
| 38 | H | 91.6 | Very high | 89 | Confident | 83 Ų | 83 | 60.8 Ų | 60.8 | 38% | 0.384 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 179.4 | -175.1 | 89.9 | 0 | 0 | 0 | 112.1 | F26 D34 I35 D41 N42 | F26-H38 HydrophobicContact CE1-CB 3.82Å; F26-H38 AromaticContact CE1-CD2 3.65Å; F26-H38 AromaticContact CE1-CG 3.73Å; F26-H38 HydrophobicContact CZ-CB 4.22Å; F26-H38 AromaticContact CZ-CD2 3.72Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.27Å; D34-H38 PolarHBondContact O-N 2.86Å; I35-H38 PolarHBondContact O-N 3.47Å; H38-D41 PolarHBondContact O-N 2.78Å; H38-N42 WeakPolarHBondContact O-CB 3.36Å; H38-N42 PolarHBondContact O-N 2.96Å; H38-N42 PolarHBondContact O-ND2 3.44Å |
| 39 | V | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.3 Ų | 67.3 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.9 | -39.3 | 177 | 176.5 | 0 | 0 | 0 | 0 | 111 | L14 F24 F26 I35 K37 N42 W43 W47 L88 | L14-V39 HydrophobicContact CD1-CB 4.4Å; L14-V39 HydrophobicContact CD1-CG1 4.29Å; L14-V39 HydrophobicContact CD1-CG2 3.31Å; F24-V39 HydrophobicContact CD2-CG2 4.34Å; F24-V39 HydrophobicContact CE2-CG1 4.39Å; F24-V39 HydrophobicContact CE2-CG2 4.15Å; F24-V39 HydrophobicContact CZ-CG1 4.31Å; F24-V39 HydrophobicContact CZ-CG2 4.31Å; F26-V39 HydrophobicContact CZ-CG2 4.23Å; I35-V39 HydrophobicContact CG2-CG2 4.27Å; I35-V39 WeakPolarHBondContact O-CB 3.39Å; I35-V39 WeakPolarHBondContact O-CG2 3.39Å; I35-V39 PolarHBondContact O-N 2.92Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.33Å; V39-N42 CarbonylContact O-C 3.51Å; V39-N42 VanDerWaalsContact O-C 3.22Å; V39-N42 PolarHBondContact O-N 3.2Å; V39-W43 HydrophobicContact CG1-CE3 3.99Å; V39-W43 HydrophobicContact CG1-CZ3 3.97Å; V39-W43 VanDerWaalsContact O-CA 3.22Å; V39-W43 WeakPolarHBondContact O-CA 3.31Å; V39-W43 PolarHBondContact O-N 3.29Å; V39-W47 HydrophobicContact CG1-CE3 4.46Å; V39-W47 HydrophobicContact CG1-CZ3 3.7Å; V39-L88 HydrophobicContact CB-CD2 4.46Å; V39-L88 HydrophobicContact CG1-CD2 3.64Å |
| 40 | Y | 89.2 | Confident | 87.8 | Confident | 61 Ų | 61 | 63.6 Ų | 63.6 | 24% | 0.239 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 173.4 | -178.8 | -85.8 | 0 | 0 | 0 | 112.3 | A36 K37 V52 P55 L58 | A36-Y40 WeakPolarHBondContact O-CB 3.3Å; A36-Y40 PolarHBondContact O-N 3.21Å; K37-Y40 WeakPolarHBondContact O-CA 3.49Å; K37-Y40 WeakPolarHBondContact O-CB 3.41Å; K37-Y40 PolarHBondContact O-N 3.35Å; K37-Y40 VanDerWaalsContact O-N 3.1Å; Y40-V52 HydrophobicContact CD2-CG2 3.72Å; Y40-V52 HydrophobicContact CE2-CG2 3.83Å; Y40-V52 VanDerWaalsContact CE2-O 3.28Å; Y40-V52 WeakPolarHBondContact CE2-O 3.41Å; Y40-P55 HydrophobicContact CD1-CB 4.41Å; Y40-P55 HydrophobicContact CD1-CG 4.41Å; Y40-P55 HydrophobicContact CD2-CB 4.23Å; Y40-P55 HydrophobicContact CG-CB 3.92Å; Y40-P55 HydrophobicContact CG-CG 4.36Å; Y40-L58 HydrophobicContact CD2-CD1 4.49Å |
| 41 | D | 90 | Very high | 87.1 | Confident | 107 Ų | 107 | 66.9 Ų | 66.9 | 57% | 0.572 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.3 | -34.3 | 178.1 | -73.6 | -54.8 | 0 | 0 | 0 | 112.1 | K37 H38 | K37-D41 WeakPolarHBondContact CG-OD2 3.28Å; K37-D41 PolarHBondContact O-N 2.81Å; H38-D41 PolarHBondContact O-N 2.78Å |
| 42 | N | 89.6 | Confident | 86.4 | Confident | 90 Ų | 90 | 66.9 Ų | 66.9 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.3 | 38.2 | 178 | -63.7 | -90 | 0 | 0 | 0 | 111.7 | H38 V39 P44 | H38-N42 WeakPolarHBondContact O-CB 3.36Å; H38-N42 PolarHBondContact O-N 2.96Å; H38-N42 PolarHBondContact O-ND2 3.44Å; V39-N42 CarbonylContact O-C 3.51Å; V39-N42 VanDerWaalsContact O-C 3.22Å; V39-N42 PolarHBondContact O-N 3.2Å; N42-P44 WeakPolarHBondContact O-CD 3.44Å; N42-P44 VanDerWaalsContact O-N 3.13Å |
| 43 | W | 86.7 | Confident | 85.8 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -61 | 118.1 | -175.3 | -160.4 | -100.8 | 0 | 0 | 0 | 109.5 | L16 V39 W47 E50 L58 L88 | L16-W43 HydrophobicContact CD2-CZ2 4.27Å; V39-W43 HydrophobicContact CG1-CE3 3.99Å; V39-W43 HydrophobicContact CG1-CZ3 3.97Å; V39-W43 VanDerWaalsContact O-CA 3.22Å; V39-W43 WeakPolarHBondContact O-CA 3.31Å; V39-W43 PolarHBondContact O-N 3.29Å; W43-W47 HydrophobicContact CD2-CB 4.49Å; W43-W47 HydrophobicContact CD2-CE3 4.31Å; W43-W47 HydrophobicContact CE3-CE3 4.35Å; W43-W47 HydrophobicContact CH2-CE3 4.24Å; W43-W47 HydrophobicContact CZ2-CB 4.02Å; W43-W47 HydrophobicContact CZ2-CE3 4.17Å; W43-W47 HydrophobicContact CZ3-CE3 4.33Å; W43-W47 VanDerWaalsContact NE1-CB 3.33Å; W43-W47 PolarHBondContact NE1-O 3.26Å; W43-E50 HydrophobicContact CZ2-CB 4.44Å; W43-E50 VanDerWaalsContact CZ2-O 3.25Å; W43-E50 WeakPolarHBondContact CZ2-O 3.17Å; W43-L58 HydrophobicContact CH2-CD2 4.32Å; W43-L58 HydrophobicContact CZ3-CD1 4.14Å; W43-L58 HydrophobicContact CZ3-CD2 4.34Å; W43-L88 HydrophobicContact CH2-CD2 4.28Å; W43-L88 HydrophobicContact CZ3-CD2 4.04Å | ||
| 44 | P | 85.4 | Confident | 85.4 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.091 | 36% | 0.359 | C | S | . | . | trans | -69.1 | 145.3 | -176.5 | 27.5 | -33 | 0 | 0 | 0 | 110 | K22 N42 D46 W47 | K22-P44 HydrophobicContact CD-CB 4.43Å; K22-P44 HydrophobicContact CG-CG 4.46Å; N42-P44 WeakPolarHBondContact O-CD 3.44Å; N42-P44 VanDerWaalsContact O-N 3.13Å; P44-D46 PolarHBondContact O-N 2.91Å; P44-W47 VanDerWaalsContact CD-CE3 3.41Å; P44-W47 HydrophobicContact CG-CB 3.97Å; P44-W47 HydrophobicContact CG-CD2 3.22Å; P44-W47 HydrophobicContact CG-CE3 3.4Å; P44-W47 VanDerWaalsContact CG-CE3 3.4Å; P44-W47 HydrophobicContact CG-CG 3.49Å; P44-W47 VanDerWaalsContact CG-CG 3.49Å; P44-W47 HydrophobicContact CG-CH2 4.46Å; P44-W47 HydrophobicContact CG-CZ2 4.33Å; P44-W47 HydrophobicContact CG-CZ3 4.02Å; P44-W47 WeakPolarHBondContact O-CA 3.48Å; P44-W47 WeakPolarHBondContact O-CB 3.42Å; P44-W47 PolarHBondContact O-N 2.8Å | ||
| 45 | M | 83.8 | Confident | 84.9 | Confident | 158 Ų | 158 | 68.6 Ų | 68.6 | 78% | 0.778 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -57.9 | -33.8 | 179.9 | -60.2 | -177.6 | 74.5 | 0 | 0 | 112.2 | W47 E48 | M45-W47 PolarHBondContact O-N 3.37Å; M45-E48 VanDerWaalsContact O-CB 3.28Å; M45-E48 WeakPolarHBondContact O-CB 3.33Å; M45-E48 PolarHBondContact O-N 3.33Å |
| 46 | D | 83.3 | Confident | 84.4 | Confident | 112 Ų | 112 | 74.7 Ų | 74.7 | 60% | 0.599 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -59.5 | -18.8 | 173.6 | -64.2 | -80.5 | 0 | 0 | 0 | 113.5 | K20 P44 | K20-D46 WeakPolarHBondContact CD-O 3.46Å; K20-D46 WeakPolarHBondContact CE-O 3.47Å; K20-D46 PolarHBondContact NZ-O 3.06Å; P44-D46 PolarHBondContact O-N 2.91Å |
| 47 | W | 85 | Confident | 84 | Confident | 4 Ų | 4 | 76.1 Ų | 76.1 | 2% | 0.015 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -105.9 | 4 | 179.4 | -59.9 | -1.5 | 0 | 0 | 0 | 112.8 | L14 L16 K22 F24 V39 W43 P44 M45 E49 E50 Q51 L88 | L14-W47 HydrophobicContact CB-CH2 4.13Å; L16-W47 HydrophobicContact CD1-CD2 3.5Å; L16-W47 VanDerWaalsContact CD1-CD2 3.5Å; L16-W47 HydrophobicContact CD1-CE3 3.41Å; L16-W47 VanDerWaalsContact CD1-CE3 3.41Å; L16-W47 HydrophobicContact CD1-CG 4.33Å; L16-W47 HydrophobicContact CD1-CH2 3.38Å; L16-W47 HydrophobicContact CD1-CZ2 3.46Å; L16-W47 VanDerWaalsContact CD1-CZ2 3.46Å; L16-W47 HydrophobicContact CD1-CZ3 3.38Å; L16-W47 HydrophobicContact CD2-CB 3.97Å; L16-W47 HydrophobicContact CD2-CD2 3.71Å; L16-W47 HydrophobicContact CD2-CE3 4.1Å; L16-W47 HydrophobicContact CD2-CG 3.65Å; L16-W47 HydrophobicContact CG-CD2 4.24Å; L16-W47 HydrophobicContact CG-CE3 4.4Å; K22-W47 HydrophobicContact CB-CH2 3.49Å; K22-W47 VanDerWaalsContact CB-CH2 3.49Å; K22-W47 HydrophobicContact CB-CZ2 3.17Å; K22-W47 HydrophobicContact CG-CH2 4.47Å; K22-W47 HydrophobicContact CG-CZ2 4.32Å; F24-W47 HydrophobicContact CE2-CH2 4.01Å; F24-W47 HydrophobicContact CE2-CZ3 4.31Å; V39-W47 HydrophobicContact CG1-CE3 4.46Å; V39-W47 HydrophobicContact CG1-CZ3 3.7Å; W43-W47 HydrophobicContact CD2-CB 4.49Å; W43-W47 HydrophobicContact CD2-CE3 4.31Å; W43-W47 HydrophobicContact CE3-CE3 4.35Å; W43-W47 HydrophobicContact CH2-CE3 4.24Å; W43-W47 HydrophobicContact CZ2-CB 4.02Å; W43-W47 HydrophobicContact CZ2-CE3 4.17Å; W43-W47 HydrophobicContact CZ3-CE3 4.33Å; W43-W47 VanDerWaalsContact NE1-CB 3.33Å; W43-W47 PolarHBondContact NE1-O 3.26Å; P44-W47 VanDerWaalsContact CD-CE3 3.41Å; P44-W47 HydrophobicContact CG-CB 3.97Å; P44-W47 HydrophobicContact CG-CD2 3.22Å; P44-W47 HydrophobicContact CG-CE3 3.4Å; P44-W47 VanDerWaalsContact CG-CE3 3.4Å; P44-W47 HydrophobicContact CG-CG 3.49Å; P44-W47 VanDerWaalsContact CG-CG 3.49Å; P44-W47 HydrophobicContact CG-CH2 4.46Å; P44-W47 HydrophobicContact CG-CZ2 4.33Å; P44-W47 HydrophobicContact CG-CZ3 4.02Å; P44-W47 WeakPolarHBondContact O-CA 3.48Å; P44-W47 WeakPolarHBondContact O-CB 3.42Å; P44-W47 PolarHBondContact O-N 2.8Å; M45-W47 PolarHBondContact O-N 3.37Å; W47-E49 PolarHBondContact O-N 2.77Å; W47-E49 VanDerWaalsContact O-N 3.12Å; W47-E50 CarbonylContact O-C 3.53Å; W47-E50 WeakPolarHBondContact O-CA 3.34Å; W47-E50 PolarHBondContact O-N 3.49Å; W47-Q51 PolarHBondContact O-N 3.26Å; W47-L88 HydrophobicContact CZ3-CD2 4.26Å |
| 48 | E | 80.9 | Confident | 83.9 | Confident | 126 Ų | 126 | 70.8 Ų | 70.8 | 59% | 0.589 | 36% | 0.364 | S | S | * | . | G | 310 helix | trans | -51.1 | -39.6 | -174.8 | -173.4 | 178 | 99.9 | 0 | 0 | 113 | M45 E50 Q51 | M45-E48 VanDerWaalsContact O-CB 3.28Å; M45-E48 WeakPolarHBondContact O-CB 3.33Å; M45-E48 PolarHBondContact O-N 3.33Å; E48-E50 PolarHBondContact O-N 3.16Å; E48-Q51 VanDerWaalsContact O-CB 3.23Å; E48-Q51 WeakPolarHBondContact O-CB 3.39Å; E48-Q51 PolarHBondContact O-N 3.26Å |
| 49 | E | 79.3 | Confident | 83.7 | Confident | 171 Ų | 171 | 70.7 Ų | 70.7 | 80% | 0.799 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -61.4 | -24.9 | 177.1 | -59.8 | 176.9 | 104 | 0 | 0 | 114.2 | K20 W47 | K20-E49 IonicContact NZ-OE2 3.25Å; K20-E49 PolarHBondContact NZ-OE2 2.89Å; W47-E49 PolarHBondContact O-N 2.77Å; W47-E49 VanDerWaalsContact O-N 3.12Å |
| 50 | E | 74.9 | Confident | 83.6 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 28% | 0.276 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -106.1 | 15.3 | 179.4 | -65.9 | -119.6 | 90.2 | 0 | 0 | 111.8 | L16 V17 S18 W43 W47 E48 V52 | L16-E50 HydrophobicContact CD2-CB 3.92Å; L16-E50 HydrophobicContact CD2-CG 4.32Å; V17-E50 WeakPolarHBondContact CG2-OE2 3.46Å; S18-E50 WeakPolarHBondContact CB-OE2 3.35Å; W43-E50 HydrophobicContact CZ2-CB 4.44Å; W43-E50 VanDerWaalsContact CZ2-O 3.25Å; W43-E50 WeakPolarHBondContact CZ2-O 3.17Å; W47-E50 CarbonylContact O-C 3.53Å; W47-E50 WeakPolarHBondContact O-CA 3.34Å; W47-E50 PolarHBondContact O-N 3.49Å; E48-E50 PolarHBondContact O-N 3.16Å; E50-V52 PolarHBondContact O-N 3.4Å |
| 51 | Q | 77.8 | Confident | 83.7 | Confident | 115 Ų | 115 | 69.1 Ų | 69.1 | 54% | 0.537 | 36% | 0.355 | S | S | . | . | trans | -61.1 | 128.4 | 177.5 | -170 | 176.6 | 25 | 0 | 0 | 110.1 | W47 E48 | W47-Q51 PolarHBondContact O-N 3.26Å; E48-Q51 VanDerWaalsContact O-CB 3.23Å; E48-Q51 WeakPolarHBondContact O-CB 3.39Å; E48-Q51 PolarHBondContact O-N 3.26Å | ||
| 52 | V | 79.4 | Confident | 83.7 | Confident | 16 Ų | 16 | 66.3 Ų | 66.3 | 10% | 0.097 | 34% | 0.337 | C | S | . | . | trans | -92.4 | 162.4 | -178.4 | -65.1 | 0 | 0 | 0 | 0 | 111.8 | Y40 E50 S54 I57 L58 A90 | Y40-V52 HydrophobicContact CD2-CG2 3.72Å; Y40-V52 HydrophobicContact CE2-CG2 3.83Å; Y40-V52 VanDerWaalsContact CE2-O 3.28Å; Y40-V52 WeakPolarHBondContact CE2-O 3.41Å; E50-V52 PolarHBondContact O-N 3.4Å; V52-S54 VanDerWaalsContact C-N 3.31Å; V52-S54 WeakPolarHBondContact CG2-O 3.34Å; V52-S54 PolarHBondContact O-N 2.95Å; V52-I57 HydrophobicContact CB-CD1 3.7Å; V52-I57 HydrophobicContact CB-CG1 4.27Å; V52-I57 HydrophobicContact CG1-CD1 3.98Å; V52-I57 HydrophobicContact CG2-CD1 4.41Å; V52-I57 HydrophobicContact CG2-CG1 4.46Å; V52-L58 HydrophobicContact CG1-CD2 4.12Å; V52-L58 HydrophobicContact CG2-CD1 4.25Å; V52-L58 HydrophobicContact CG2-CD2 3.85Å; V52-L58 HydrophobicContact CG2-CG 3.98Å; V52-A90 HydrophobicContact CG1-CB 3.43Å; V52-A90 VanDerWaalsContact CG1-CB 3.43Å | ||
| 53 | S | 78.8 | Confident | 83.5 | Confident | 86 Ų | 86 | 69.4 Ų | 69.4 | 60% | 0.601 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -75.1 | -18.2 | 177.6 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 54 | S | 80.6 | Confident | 83.4 | Confident | 50 Ų | 50 | 70.9 Ų | 70.9 | 35% | 0.35 | 38% | 0.375 | S | S | . | . | trans | -159 | 144.7 | -175.1 | -76.9 | 0 | 0 | 0 | 0 | 113.6 | V52 N56 I57 | V52-S54 VanDerWaalsContact C-N 3.31Å; V52-S54 WeakPolarHBondContact CG2-O 3.34Å; V52-S54 PolarHBondContact O-N 2.95Å; S54-N56 VanDerWaalsContact C-N 3.25Å; S54-N56 PolarHBondContact O-N 2.94Å; S54-I57 WeakPolarHBondContact O-CG1 2.96Å; S54-I57 PolarHBondContact O-N 2.84Å | ||
| 55 | P | 82.3 | Confident | 83.4 | Confident | 31 Ų | 31 | 79.4 Ų | 79.4 | 20% | 0.201 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | -68.2 | -25.2 | 174.5 | 26.8 | -34.4 | 0 | 0 | 0 | 112.8 | K37 Y40 I57 L58 | K37-P55 HydrophobicContact CB-CB 4.32Å; Y40-P55 HydrophobicContact CD1-CB 4.41Å; Y40-P55 HydrophobicContact CD1-CG 4.41Å; Y40-P55 HydrophobicContact CD2-CB 4.23Å; Y40-P55 HydrophobicContact CG-CB 3.92Å; Y40-P55 HydrophobicContact CG-CG 4.36Å; P55-I57 PolarHBondContact O-N 3.46Å; P55-L58 WeakPolarHBondContact O-CB 3.32Å; P55-L58 PolarHBondContact O-N 2.99Å |
| 56 | N | 80.8 | Confident | 83.6 | Confident | 129 Ų | 129 | 77.8 Ų | 77.8 | 69% | 0.69 | 39% | 0.394 | S | S | * | . | G | 310 helix | trans | -66.2 | -23.9 | -177.9 | -73.4 | -38.9 | 0 | 0 | 0 | 114.1 | S54 L58 R59 | S54-N56 VanDerWaalsContact C-N 3.25Å; S54-N56 PolarHBondContact O-N 2.94Å; N56-L58 VanDerWaalsContact C-N 3.34Å; N56-R59 PolarHBondContact O-NH1 3.45Å |
| 57 | I | 83.8 | Confident | 83.9 | Confident | 34 Ų | 34 | 73.2 Ų | 73.2 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | G | 310 helix | trans | -85 | -11.7 | 176.3 | 57.6 | 156 | 0 | 0 | 0 | 112.1 | V52 S54 P55 A90 R91 E92 | V52-I57 HydrophobicContact CB-CD1 3.7Å; V52-I57 HydrophobicContact CB-CG1 4.27Å; V52-I57 HydrophobicContact CG1-CD1 3.98Å; V52-I57 HydrophobicContact CG2-CD1 4.41Å; V52-I57 HydrophobicContact CG2-CG1 4.46Å; S54-I57 WeakPolarHBondContact O-CG1 2.96Å; S54-I57 PolarHBondContact O-N 2.84Å; P55-I57 PolarHBondContact O-N 3.46Å; I57-A90 HydrophobicContact CD1-CB 4.42Å; I57-R91 HydrophobicContact CB-CB 4.04Å; I57-R91 HydrophobicContact CG2-CB 4.49Å; I57-R91 WeakPolarHBondContact O-CB 3.11Å; I57-R91 PolarHBondContact O-N 3.27Å; I57-E92 HydrophobicContact CD1-CB 4.12Å; I57-E92 HydrophobicContact CD1-CG 3.92Å; I57-E92 WeakPolarHBondContact CD1-OE2 3.35Å |
| 58 | L | 87.6 | Confident | 83.9 | Confident | 6 Ų | 6 | 78.8 Ų | 78.8 | 3% | 0.031 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 137.8 | 173 | -63.9 | 172.8 | 0 | 0 | 0 | 109.9 | A36 Y40 W43 V52 P55 N56 L88 V89 | A36-L58 HydrophobicContact CB-CB 3.86Å; A36-L58 HydrophobicContact CB-CD1 4.32Å; A36-L58 WeakPolarHBondContact O-CD1 3.49Å; Y40-L58 HydrophobicContact CD2-CD1 4.49Å; W43-L58 HydrophobicContact CH2-CD2 4.32Å; W43-L58 HydrophobicContact CZ3-CD1 4.14Å; W43-L58 HydrophobicContact CZ3-CD2 4.34Å; V52-L58 HydrophobicContact CG1-CD2 4.12Å; V52-L58 HydrophobicContact CG2-CD1 4.25Å; V52-L58 HydrophobicContact CG2-CD2 3.85Å; V52-L58 HydrophobicContact CG2-CG 3.98Å; P55-L58 WeakPolarHBondContact O-CB 3.32Å; P55-L58 PolarHBondContact O-N 2.99Å; N56-L58 VanDerWaalsContact C-N 3.34Å; L58-L88 HydrophobicContact CB-CD1 4.06Å; L58-L88 HydrophobicContact CD2-CD1 4.33Å; L58-L88 HydrophobicContact CD2-CD2 4.36Å; L58-L88 HydrophobicContact CD2-CG 4.17Å; L58-V89 CarbonylContact C-O 3.59Å; L58-V89 WeakPolarHBondContact CA-O 3.41Å |
| 59 | R | 87.3 | Confident | 84.2 | Confident | 81 Ų | 81 | 73.6 Ų | 73.6 | 31% | 0.306 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 130.2 | 176.9 | -69.9 | -69.6 | 179.6 | -94.2 | 1.8 | 108.8 | N56 F66 V89 | N56-R59 PolarHBondContact O-NH1 3.45Å; R59-F66 HydrophobicContact CB-CD1 4.15Å; R59-V89 HydrophobicContact CB-CG2 3.96Å; R59-V89 PolarHBondContact N-O 3.38Å; R59-V89 PolarHBondContact O-N 3.42Å |
| 60 | L | 90.1 | Very high | 84.6 | Confident | 3 Ų | 3 | 71.8 Ų | 71.8 | 2% | 0.016 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 137.8 | 173.2 | -77.2 | 74.6 | 0 | 0 | 0 | 109 | A32 I35 A36 F66 L67 M86 H87 L88 | A32-L60 HydrophobicContact CB-CD1 4.4Å; A32-L60 HydrophobicContact CB-CD2 4.39Å; A32-L60 WeakPolarHBondContact O-CD1 3.25Å; I35-L60 HydrophobicContact CB-CD2 4.18Å; I35-L60 HydrophobicContact CD1-CD2 4.2Å; I35-L60 HydrophobicContact CG2-CD2 3.79Å; A36-L60 HydrophobicContact CB-CD1 4.02Å; L60-F66 WeakPolarHBondContact O-CA 3.41Å; L60-L67 HydrophobicContact CB-CB 4.17Å; L60-L67 HydrophobicContact CB-CD1 4.05Å; L60-L67 HydrophobicContact CB-CG 4.46Å; L60-L67 PolarHBondContact O-N 3.3Å; L60-M86 HydrophobicContact CD2-SD 4.03Å; L60-H87 CarbonylContact C-O 3.51Å; L60-H87 WeakPolarHBondContact CA-O 3.27Å; L60-L88 HydrophobicContact CD1-CD1 3.91Å; L60-L88 HydrophobicContact CG-CD1 4.29Å |
| 61 | I | 89.9 | Confident | 85.4 | Confident | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.128 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.5 | 174.3 | -53 | 171 | 0 | 0 | 0 | 108.2 | R65 F66 M86 H87 V89 | I61-R65 CarbonylContact C-O 3.53Å; I61-R65 VanDerWaalsContact CA-O 3.31Å; I61-R65 WeakPolarHBondContact CA-O 3.31Å; I61-F66 HydrophobicContact CD1-CD1 4.03Å; I61-F66 HydrophobicContact CD1-CE1 3.46Å; I61-F66 VanDerWaalsContact CD1-CE1 3.46Å; I61-F66 HydrophobicContact CD1-CZ 3.78Å; I61-F66 HydrophobicContact CG1-CD1 3.59Å; I61-F66 HydrophobicContact CG1-CE1 3.58Å; I61-F66 HydrophobicContact CG1-CG 4.24Å; I61-F66 HydrophobicContact CG1-CZ 4.21Å; I61-M86 WeakPolarHBondContact O-CA 3.33Å; I61-H87 HydrophobicContact CB-CB 4.13Å; I61-H87 PolarHBondContact N-O 3.09Å; I61-H87 PolarHBondContact O-N 3.14Å; I61-V89 HydrophobicContact CD1-CB 4.48Å; I61-V89 HydrophobicContact CD1-CG1 3.72Å; I61-V89 HydrophobicContact CD1-CG2 3.84Å; I61-V89 HydrophobicContact CG1-CG2 4.28Å |
| 62 | Y | 90.6 | Very high | 86.1 | Confident | 47 Ų | 47 | 68 Ų | 68 | 18% | 0.184 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 124.2 | 176 | 179.2 | -116.9 | 0 | 0 | 0 | 109.6 | G64 R65 L76 L78 T84 M86 | Y62-G64 PolarHBondContact O-N 3.18Å; Y62-R65 PolarHBondContact N-O 2.77Å; Y62-R65 WeakPolarHBondContact O-CB 3.32Å; Y62-R65 PolarHBondContact O-N 2.86Å; Y62-L76 HydrophobicContact CD1-CD1 4.3Å; Y62-L78 HydrophobicContact CE1-CD2 4.02Å; Y62-L78 HydrophobicContact CE2-CD2 4.12Å; Y62-L78 WeakPolarHBondContact OH-CD2 3.49Å; Y62-T84 HydrophobicContact CD2-CG2 4.03Å; Y62-T84 HydrophobicContact CE2-CG2 3.47Å; Y62-T84 VanDerWaalsContact CE2-CG2 3.47Å; Y62-M86 HydrophobicContact CD2-CE 3.84Å; Y62-M86 HydrophobicContact CD2-CG 3.89Å; Y62-M86 HydrophobicContact CE2-CE 4.46Å; Y62-M86 HydrophobicContact CG-CE 3.98Å; Y62-M86 HydrophobicContact CG-CG 4.46Å |
| 63 | Q | 85.5 | Confident | 86.6 | Confident | 155 Ų | 155 | 67.4 Ų | 67.4 | 72% | 0.724 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.9 | 39.4 | -177.8 | -56.4 | -176.1 | -76.3 | 0 | 0 | 114 | R65 | Q63-R65 VanDerWaalsContact C-N 3.27Å; Q63-R65 PolarHBondContact O-N 2.95Å |
| 64 | G | 84.1 | Confident | 87 | Confident | 67 Ų | 67 | 65.1 Ų | 65.1 | 69% | 0.691 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.6 | 10.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y62 | Y62-G64 PolarHBondContact O-N 3.18Š|
| 65 | R | 85.8 | Confident | 87.4 | Confident | 192 Ų | 192 | 66 Ų | 66 | 73% | 0.725 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.5 | 177.2 | -58.6 | -178.7 | 178.9 | -132.1 | -1.1 | 110.5 | I61 Y62 Q63 L67 | I61-R65 CarbonylContact C-O 3.53Å; I61-R65 VanDerWaalsContact CA-O 3.31Å; I61-R65 WeakPolarHBondContact CA-O 3.31Å; Y62-R65 PolarHBondContact N-O 2.77Å; Y62-R65 WeakPolarHBondContact O-CB 3.32Å; Y62-R65 PolarHBondContact O-N 2.86Å; Q63-R65 VanDerWaalsContact C-N 3.27Å; Q63-R65 PolarHBondContact O-N 2.95Å; R65-L67 PolarHBondContact O-N 3.15Å |
| 66 | F | 88.1 | Confident | 87.5 | Confident | 124 Ų | 124 | 66.7 Ų | 66.7 | 54% | 0.544 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.3 | 172.2 | -66.6 | -90.3 | 0 | 0 | 0 | 109.9 | R59 L60 I61 V89 | R59-F66 HydrophobicContact CB-CD1 4.15Å; L60-F66 WeakPolarHBondContact O-CA 3.41Å; I61-F66 HydrophobicContact CD1-CD1 4.03Å; I61-F66 HydrophobicContact CD1-CE1 3.46Å; I61-F66 VanDerWaalsContact CD1-CE1 3.46Å; I61-F66 HydrophobicContact CD1-CZ 3.78Å; I61-F66 HydrophobicContact CG1-CD1 3.59Å; I61-F66 HydrophobicContact CG1-CE1 3.58Å; I61-F66 HydrophobicContact CG1-CG 4.24Å; I61-F66 HydrophobicContact CG1-CZ 4.21Å; F66-V89 HydrophobicContact CE1-CG2 4.03Å |
| 67 | L | 89.9 | Confident | 87.7 | Confident | 17 Ų | 17 | 69.7 Ų | 69.7 | 9% | 0.089 | 37% | 0.366 | C | S | . | . | P | Polyproline II helix | trans | -83.4 | 134.7 | 173 | -62 | 179.4 | 0 | 0 | 0 | 109.5 | A32 L60 R65 V71 L76 M86 | A32-L67 HydrophobicContact CB-CB 4.15Å; L60-L67 HydrophobicContact CB-CB 4.17Å; L60-L67 HydrophobicContact CB-CD1 4.05Å; L60-L67 HydrophobicContact CB-CG 4.46Å; L60-L67 PolarHBondContact O-N 3.3Å; R65-L67 PolarHBondContact O-N 3.15Å; L67-V71 HydrophobicContact CD2-CG1 4.46Å; L67-L76 HydrophobicContact CD1-CD1 3.66Å; L67-L76 HydrophobicContact CD2-CD1 3.84Å; L67-L76 HydrophobicContact CD2-CD2 3.79Å; L67-L76 HydrophobicContact CD2-CG 4.42Å; L67-L76 HydrophobicContact CG-CD1 4.43Å; L67-M86 HydrophobicContact CD1-CE 4.11Å; L67-M86 HydrophobicContact CD1-SD 3.95Å |
| 68 | H | 85.4 | Confident | 87.7 | Confident | 121 Ų | 121 | 68.7 Ų | 68.7 | 56% | 0.56 | 36% | 0.361 | S | S | * | . | P | Polyproline II helix | trans | -78.5 | 147.1 | 172.7 | -171.8 | -96.4 | 0 | 0 | 0 | 109.9 | A32 N70 V71 | A32-H68 WeakPolarHBondContact CB-O 3.31Å; H68-N70 PolarHBondContact ND1-N 2.91Å; H68-N70 PolarHBondContact O-N 3.36Å; H68-V71 HydrophobicContact CB-CG2 4.06Å; H68-V71 WeakPolarHBondContact O-CB 3.26Å; H68-V71 PolarHBondContact O-N 3.2Å |
| 69 | G | 86.6 | Confident | 87.3 | Confident | 16 Ų | 16 | 71.4 Ų | 71.4 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -33.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S31 A32 A33 V71 | S31-G69 VanDerWaalsContact CB-O 3.27Å; S31-G69 WeakPolarHBondContact CB-O 3.41Å; S31-G69 PolarHBondContact OG-O 2.72Å; A32-G69 PolarHBondContact N-O 2.78Å; A33-G69 WeakPolarHBondContact CB-O 3.41Å; A33-G69 PolarHBondContact N-O 2.81Å; G69-V71 VanDerWaalsContact C-N 3.32Å; G69-V71 PolarHBondContact O-N 2.99Å |
| 70 | N | 88.1 | Confident | 87.1 | Confident | 133 Ų | 133 | 71.5 Ų | 71.5 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.5 | -5.6 | -179.5 | -58.4 | 18.4 | 0 | 0 | 0 | 114.3 | H68 | H68-N70 PolarHBondContact ND1-N 2.91Å; H68-N70 PolarHBondContact O-N 3.36Å |
| 71 | V | 91.1 | Very high | 86.6 | Confident | 46 Ų | 46 | 74.2 Ų | 74.2 | 28% | 0.279 | 41% | 0.413 | S | S | . | . | trans | -81 | 127.8 | 180 | 175.4 | 0 | 0 | 0 | 0 | 109.1 | S31 A32 L67 H68 G69 A75 L76 | S31-V71 CarbonylContact C-O 3.6Å; S31-V71 WeakPolarHBondContact CA-O 3.38Å; A32-V71 PolarHBondContact N-O 3.21Å; L67-V71 HydrophobicContact CD2-CG1 4.46Å; H68-V71 HydrophobicContact CB-CG2 4.06Å; H68-V71 WeakPolarHBondContact O-CB 3.26Å; H68-V71 PolarHBondContact O-N 3.2Å; G69-V71 VanDerWaalsContact C-N 3.32Å; G69-V71 PolarHBondContact O-N 2.99Å; V71-A75 HydrophobicContact CG1-CB 4.43Å; V71-L76 HydrophobicContact CG1-CD2 4.05Å; V71-L76 HydrophobicContact CG1-CG 4.12Å | ||
| 72 | T | 92.8 | Very high | 86.2 | Confident | 49 Ų | 49 | 81.5 Ų | 81.5 | 30% | 0.301 | 44% | 0.439 | S | S | . | . | B | Isolated β-bridge | trans | -91.5 | 155.3 | 175.8 | 61 | 0 | 0 | 0 | 0 | 112.1 | D30 G74 A75 | D30-T72 WeakPolarHBondContact O-CA 3.4Å; T72-G74 PolarHBondContact O-N 3.24Å; T72-A75 WeakPolarHBondContact O-CB 3.26Å; T72-A75 PolarHBondContact O-N 2.97Å; T72-A75 VanDerWaalsContact O-N 3.09Å; T72-A75 PolarHBondContact OG1-N 3.06Å |
| 73 | L | 89.6 | Confident | 86.2 | Confident | 3 Ų | 3 | 82.5 Ų | 82.5 | 2% | 0.016 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34.3 | 177.2 | -63.3 | 179.2 | 0 | 0 | 0 | 112.6 | I10 L12 F26 D30 I35 A75 L76 L78 M86 | I10-L73 HydrophobicContact CB-CD1 4.27Å; I10-L73 HydrophobicContact CD1-CB 3.61Å; I10-L73 HydrophobicContact CD1-CD1 4.05Å; I10-L73 HydrophobicContact CD1-CG 4.48Å; I10-L73 HydrophobicContact CG2-CD1 4.39Å; L12-L73 HydrophobicContact CD1-CD1 3.76Å; L12-L73 HydrophobicContact CD1-CD2 3.83Å; L12-L73 HydrophobicContact CD1-CG 4.42Å; L12-L73 HydrophobicContact CD2-CD1 4.49Å; L12-L73 HydrophobicContact CD2-CD2 4.33Å; L12-L73 HydrophobicContact CG-CD1 4.22Å; F26-L73 HydrophobicContact CB-CD1 3.67Å; D30-L73 PolarHBondContact O-N 2.75Å; D30-L73 VanDerWaalsContact O-N 3.14Å; I35-L73 HydrophobicContact CD1-CD1 3.82Å; I35-L73 HydrophobicContact CD1-CD2 3.67Å; I35-L73 HydrophobicContact CD1-CG 3.7Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.88Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 2.83Å; L73-L78 HydrophobicContact CB-CD1 4.23Å; L73-L78 HydrophobicContact CD2-CD1 3.91Å; L73-M86 HydrophobicContact CD2-CE 3.82Å; L73-M86 HydrophobicContact CD2-SD 4.43Å |
| 74 | G | 86.9 | Confident | 86.5 | Confident | 38 Ų | 38 | 75.7 Ų | 75.7 | 39% | 0.392 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -63.1 | -34.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | P28 T72 L76 K77 | P28-G74 WeakPolarHBondContact O-CA 3.46Å; P28-G74 PolarHBondContact O-N 2.8Å; T72-G74 PolarHBondContact O-N 3.24Å; G74-L76 PolarHBondContact O-N 2.7Å; G74-K77 PolarHBondContact O-N 2.84Å |
| 75 | A | 88.6 | Confident | 86.8 | Confident | 68 Ų | 68 | 75.6 Ų | 75.6 | 56% | 0.562 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -66.1 | -26.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | V71 T72 L73 K77 | V71-A75 HydrophobicContact CG1-CB 4.43Å; T72-A75 WeakPolarHBondContact O-CB 3.26Å; T72-A75 PolarHBondContact O-N 2.97Å; T72-A75 VanDerWaalsContact O-N 3.09Å; T72-A75 PolarHBondContact OG1-N 3.06Å; L73-A75 VanDerWaalsContact C-N 3.3Å; L73-A75 PolarHBondContact O-N 2.88Å; A75-K77 PolarHBondContact O-N 3.31Å |
| 76 | L | 85.6 | Confident | 87.1 | Confident | 47 Ų | 47 | 66.5 Ų | 66.5 | 25% | 0.246 | 37% | 0.371 | C | S | . | . | G | 310 helix | trans | -80.6 | -2.4 | 175.7 | -60.8 | 175.7 | 0 | 0 | 0 | 113.2 | Y62 L67 V71 L73 G74 L78 M86 | Y62-L76 HydrophobicContact CD1-CD1 4.3Å; L67-L76 HydrophobicContact CD1-CD1 3.66Å; L67-L76 HydrophobicContact CD2-CD1 3.84Å; L67-L76 HydrophobicContact CD2-CD2 3.79Å; L67-L76 HydrophobicContact CD2-CG 4.42Å; L67-L76 HydrophobicContact CG-CD1 4.43Å; V71-L76 HydrophobicContact CG1-CD2 4.05Å; V71-L76 HydrophobicContact CG1-CG 4.12Å; L73-L76 WeakPolarHBondContact O-CB 3.42Å; L73-L76 PolarHBondContact O-N 2.83Å; G74-L76 PolarHBondContact O-N 2.7Å; L76-L78 HydrophobicContact CB-CD1 4.39Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.87Å; L76-L78 HydrophobicContact CD1-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.4Å; L76-M86 HydrophobicContact CD1-CE 3.89Å |
| 77 | K | 83.7 | Confident | 87.3 | Confident | 192 Ų | 192 | 64.6 Ų | 64.6 | 84% | 0.835 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 40.8 | -178.6 | -59 | -176.5 | 177.7 | -177 | 0 | 112.5 | G74 A75 | G74-K77 PolarHBondContact O-N 2.84Å; A75-K77 PolarHBondContact O-N 3.31Å |
| 78 | L | 84.1 | Confident | 87.3 | Confident | 13 Ų | 13 | 64 Ų | 64 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -69 | 139.3 | 178.3 | -59.6 | 176.7 | 0 | 0 | 0 | 110.3 | I10 L12 Y62 L73 L76 L80 T84 M86 | I10-L78 HydrophobicContact CD1-CB 4.21Å; I10-L78 HydrophobicContact CG2-CD1 4.25Å; L12-L78 HydrophobicContact CD2-CD1 4.41Å; Y62-L78 HydrophobicContact CE1-CD2 4.02Å; Y62-L78 HydrophobicContact CE2-CD2 4.12Å; Y62-L78 WeakPolarHBondContact OH-CD2 3.49Å; L73-L78 HydrophobicContact CB-CD1 4.23Å; L73-L78 HydrophobicContact CD2-CD1 3.91Å; L76-L78 HydrophobicContact CB-CD1 4.39Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.87Å; L76-L78 HydrophobicContact CD1-CD1 4.46Å; L76-L78 PolarHBondContact O-N 3.4Å; L78-L80 PolarHBondContact O-N 3.26Å; L78-T84 HydrophobicContact CD1-CG2 4.03Å; L78-T84 HydrophobicContact CD2-CG2 3.85Å; L78-M86 HydrophobicContact CD1-CE 3.68Å |
| 79 | P | 79.9 | Confident | 87.4 | Confident | 63 Ų | 63 | 59.2 Ų | 59.2 | 41% | 0.409 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 122.2 | 175.6 | 24.5 | -30.3 | 0 | 0 | 0 | 110.8 | R82 | P79-R82 HydrophobicContact CB-CB 4.32Å; P79-R82 HydrophobicContact CB-CG 4.22Å; P79-R82 HydrophobicContact CG-CB 4Å; P79-R82 HydrophobicContact CG-CG 4.24Å; P79-R82 PolarHBondContact O-N 2.9Å |
| 80 | L | 82.7 | Confident | 87.2 | Confident | 83 Ų | 83 | 59 Ų | 59 | 44% | 0.435 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | 143.7 | 173.6 | -56 | 175.1 | 0 | 0 | 0 | 110.1 | I10 P28 L78 R82 | I10-L80 HydrophobicContact CD1-CD2 4.04Å; I10-L80 HydrophobicContact CG1-CD2 3.64Å; P28-L80 HydrophobicContact CB-CD2 4.35Å; P28-L80 HydrophobicContact CG-CD2 4.22Å; L78-L80 PolarHBondContact O-N 3.26Å; L80-R82 PolarHBondContact O-N 3.17Å |
| 81 | G | 78.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 60.2 Ų | 60.2 | 62% | 0.619 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.9 | 4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | M9 | M9-G81 PolarHBondContact O-N 3.44Å; M9-G81 VanDerWaalsContact O-N 3.16Å |
| 82 | R | 83.3 | Confident | 84.9 | Confident | 178 Ų | 178 | 64.2 Ų | 64.2 | 67% | 0.672 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -106.4 | 151.7 | 169.2 | -70 | -164.1 | 178 | -172.1 | 0.2 | 111.7 | P79 L80 T84 | P79-R82 HydrophobicContact CB-CB 4.32Å; P79-R82 HydrophobicContact CB-CG 4.22Å; P79-R82 HydrophobicContact CG-CB 4Å; P79-R82 HydrophobicContact CG-CG 4.24Å; P79-R82 PolarHBondContact O-N 2.9Å; L80-R82 PolarHBondContact O-N 3.17Å; R82-T84 PolarHBondContact O-N 3.34Å |
| 83 | T | 89.6 | Confident | 83 | Confident | 68 Ų | 68 | 65.8 Ų | 65.8 | 42% | 0.417 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 118.7 | 171.3 | -53.3 | 0 | 0 | 0 | 0 | 110 | N11 R13 | N11-T83 CarbonylContact O-C 3.51Å; N11-T83 VanDerWaalsContact O-CA 3.27Å; N11-T83 WeakPolarHBondContact O-CA 3.41Å; R13-T83 HydrophobicContact CB-CG2 3.79Å |
| 84 | T | 91.1 | Very high | 80.9 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 7% | 0.067 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 130 | 173.5 | -61.4 | 0 | 0 | 0 | 0 | 109.3 | N11 L12 R13 Y62 L78 R82 M86 | N11-T84 PolarHBondContact O-N 2.81Å; L12-T84 WeakPolarHBondContact CA-O 3.36Å; L12-T84 HydrophobicContact CD2-CG2 4.22Å; R13-T84 PolarHBondContact N-O 3.07Å; Y62-T84 HydrophobicContact CD2-CG2 4.03Å; Y62-T84 HydrophobicContact CE2-CG2 3.47Å; Y62-T84 VanDerWaalsContact CE2-CG2 3.47Å; L78-T84 HydrophobicContact CD1-CG2 4.03Å; L78-T84 HydrophobicContact CD2-CG2 3.85Å; R82-T84 PolarHBondContact O-N 3.34Å; T84-M86 HydrophobicContact CG2-CE 4.01Å; T84-M86 HydrophobicContact CG2-CG 4.38Å |
| 85 | V | 91.6 | Very high | 79.1 | Confident | 66 Ų | 66 | 72.7 Ų | 72.7 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 129.5 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | R13 I15 | R13-V85 HydrophobicContact CB-CG2 4.27Å; R13-V85 WeakPolarHBondContact O-CA 3.2Å; I15-V85 HydrophobicContact CD1-CG1 3.34Å; I15-V85 HydrophobicContact CG1-CG1 3.85Å |
| 86 | M | 92.9 | Very high | 77.1 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151.8 | 173.6 | -64 | -172 | 177.9 | 0 | 0 | 109.9 | L12 R13 L14 I15 L60 I61 Y62 L67 L73 L76 L78 T84 | L12-M86 HydrophobicContact CD1-SD 4.25Å; L12-M86 HydrophobicContact CD2-CE 4.03Å; L12-M86 HydrophobicContact CD2-SD 4.19Å; R13-M86 PolarHBondContact O-N 3.19Å; L14-M86 CarbonylContact C-O 3.22Å; L14-M86 VanDerWaalsContact CA-O 3.3Å; L14-M86 WeakPolarHBondContact CA-O 3.38Å; L14-M86 HydrophobicContact CD2-CB 3.93Å; I15-M86 PolarHBondContact N-O 2.97Å; L60-M86 HydrophobicContact CD2-SD 4.03Å; I61-M86 WeakPolarHBondContact O-CA 3.33Å; Y62-M86 HydrophobicContact CD2-CE 3.84Å; Y62-M86 HydrophobicContact CD2-CG 3.89Å; Y62-M86 HydrophobicContact CE2-CE 4.46Å; Y62-M86 HydrophobicContact CG-CE 3.98Å; Y62-M86 HydrophobicContact CG-CG 4.46Å; L67-M86 HydrophobicContact CD1-CE 4.11Å; L67-M86 HydrophobicContact CD1-SD 3.95Å; L73-M86 HydrophobicContact CD2-CE 3.82Å; L73-M86 HydrophobicContact CD2-SD 4.43Å; L76-M86 HydrophobicContact CD1-CE 3.89Å; L78-M86 HydrophobicContact CD1-CE 3.68Å; T84-M86 HydrophobicContact CG2-CE 4.01Å; T84-M86 HydrophobicContact CG2-CG 4.38Å |
| 87 | H | 90.9 | Very high | 75.3 | Confident | 85 Ų | 85 | 81.1 Ų | 81.1 | 39% | 0.394 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 140.4 | 172 | -58.4 | 63.7 | 0 | 0 | 0 | 109.6 | I15 L60 I61 | I15-H87 CarbonylContact O-C 3.54Å; I15-H87 VanDerWaalsContact O-CA 3.28Å; I15-H87 WeakPolarHBondContact O-CA 3.22Å; L60-H87 CarbonylContact C-O 3.51Å; L60-H87 WeakPolarHBondContact CA-O 3.27Å; I61-H87 HydrophobicContact CB-CB 4.13Å; I61-H87 PolarHBondContact N-O 3.09Å; I61-H87 PolarHBondContact O-N 3.14Å |
| 88 | L | 89.9 | Confident | 73.4 | Confident | 5 Ų | 5 | 77.5 Ų | 77.5 | 3% | 0.026 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 119.2 | 173.5 | -174.5 | 71.1 | 0 | 0 | 0 | 107.7 | I15 L16 V39 W43 W47 L58 L60 | I15-L88 PolarHBondContact O-N 2.73Å; L16-L88 HydrophobicContact CD1-CB 4.46Å; L16-L88 HydrophobicContact CD1-CD2 4.32Å; V39-L88 HydrophobicContact CB-CD2 4.46Å; V39-L88 HydrophobicContact CG1-CD2 3.64Å; W43-L88 HydrophobicContact CH2-CD2 4.28Å; W43-L88 HydrophobicContact CZ3-CD2 4.04Å; W47-L88 HydrophobicContact CZ3-CD2 4.26Å; L58-L88 HydrophobicContact CB-CD1 4.06Å; L58-L88 HydrophobicContact CD2-CD1 4.33Å; L58-L88 HydrophobicContact CD2-CD2 4.36Å; L58-L88 HydrophobicContact CD2-CG 4.17Å; L60-L88 HydrophobicContact CD1-CD1 3.91Å; L60-L88 HydrophobicContact CG-CD1 4.29Å |
| 89 | V | 87 | Confident | 71.7 | Confident | 19 Ų | 19 | 82.4 Ų | 82.4 | 12% | 0.115 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 143.9 | -179.5 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | V17 L58 R59 I61 F66 | V17-V89 HydrophobicContact CG1-CB 4.13Å; V17-V89 HydrophobicContact CG1-CG1 3.64Å; L58-V89 CarbonylContact C-O 3.59Å; L58-V89 WeakPolarHBondContact CA-O 3.41Å; R59-V89 HydrophobicContact CB-CG2 3.96Å; R59-V89 PolarHBondContact N-O 3.38Å; R59-V89 PolarHBondContact O-N 3.42Å; I61-V89 HydrophobicContact CD1-CB 4.48Å; I61-V89 HydrophobicContact CD1-CG1 3.72Å; I61-V89 HydrophobicContact CD1-CG2 3.84Å; I61-V89 HydrophobicContact CG1-CG2 4.28Å; F66-V89 HydrophobicContact CE1-CG2 4.03Å |
| 90 | A | 83.9 | Confident | 70.6 | Confident | 12 Ų | 12 | 87.1 Ų | 87.1 | 10% | 0.099 | 47% | 0.467 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 136.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V52 I57 E92 T93 | V52-A90 HydrophobicContact CG1-CB 3.43Å; V52-A90 VanDerWaalsContact CG1-CB 3.43Å; I57-A90 HydrophobicContact CD1-CB 4.42Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 2.84Å; A90-T93 HydrophobicContact CB-CG2 4.28Å; A90-T93 PolarHBondContact O-N 3.32Å; A90-T93 PolarHBondContact O-OG1 3.24Å |
| 91 | R | 67.1 | Low | 68.9 | Low | 159 Ų | 159 | 86 Ų | 86 | 60% | 0.6 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -71.1 | -23.3 | 176.9 | -148.6 | -163.5 | -171.8 | -166.2 | 0.8 | 112.8 | I57 T93 L94 | I57-R91 HydrophobicContact CB-CB 4.04Å; I57-R91 HydrophobicContact CG2-CB 4.49Å; I57-R91 WeakPolarHBondContact O-CB 3.11Å; I57-R91 PolarHBondContact O-N 3.27Å; R91-T93 PolarHBondContact O-N 3.44Å; R91-L94 HydrophobicContact CB-CD1 4.41Å; R91-L94 HydrophobicContact CG-CD1 3.64Å; R91-L94 WeakPolarHBondContact O-CB 3.41Å; R91-L94 PolarHBondContact O-N 2.57Å |
| 92 | E | 63.5 | Low | 67.4 | Low | 130 Ų | 130 | 92.8 Ų | 92.8 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | G | 310 helix | trans | -64.7 | -28.9 | 173.2 | -87.6 | -178.8 | 82.5 | 0 | 0 | 112.3 | I57 A90 L94 | I57-E92 HydrophobicContact CD1-CB 4.12Å; I57-E92 HydrophobicContact CD1-CG 3.92Å; I57-E92 WeakPolarHBondContact CD1-OE2 3.35Å; A90-E92 VanDerWaalsContact C-N 3.27Å; A90-E92 PolarHBondContact O-N 2.84Å; E92-L94 VanDerWaalsContact C-N 3.34Å |
| 93 | T | 52.5 | Low | 65.9 | Low | 81 Ų | 81 | 95 Ų | 95 | 50% | 0.497 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -90.8 | 2.6 | 176.7 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | A90 R91 P95 | A90-T93 HydrophobicContact CB-CG2 4.28Å; A90-T93 PolarHBondContact O-N 3.32Å; A90-T93 PolarHBondContact O-OG1 3.24Å; R91-T93 PolarHBondContact O-N 3.44Å; T93-P95 WeakPolarHBondContact O-CD 3.37Å |
| 94 | L | 46.4 | Very low | 64.2 | Low | 78 Ų | 78 | 98.3 Ų | 98.3 | 41% | 0.408 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -73.9 | 122.5 | 168.8 | -83.7 | 166.4 | 0 | 0 | 0 | 107 | R91 E92 E96 | R91-L94 HydrophobicContact CB-CD1 4.41Å; R91-L94 HydrophobicContact CG-CD1 3.64Å; R91-L94 WeakPolarHBondContact O-CB 3.41Å; R91-L94 PolarHBondContact O-N 2.57Å; E92-L94 VanDerWaalsContact C-N 3.34Å; L94-E96 PolarHBondContact O-N 3.05Å |
| 95 | P | 48.1 | Very low | 62.2 | Low | 109 Ų | 109 | 107.8 Ų | 107.8 | 71% | 0.708 | 55% | 0.55 | S | S | * | . | trans | -52.1 | 135.5 | 167.8 | 22.8 | -31.3 | 0 | 0 | 0 | 107.2 | T93 | T93-P95 WeakPolarHBondContact O-CD 3.37Š| ||
| 96 | E | 46.8 | Very low | 60.2 | Low | 179 Ų | 179 | 112 Ų | 112 | 84% | 0.836 | 57% | 0.565 | S | S | * | * | trans | -42.4 | 129.6 | 175.7 | -65.9 | -177.6 | 82.9 | 0 | 0 | 108.1 | L94 N98 | L94-E96 PolarHBondContact O-N 3.05Å; E96-N98 VanDerWaalsContact C-N 3.33Å; E96-N98 PolarHBondContact O-N 2.91Å | ||
| 97 | P | 46.8 | Very low | 58.2 | Low | 113 Ų | 113 | 122 Ų | 122 | 73% | 0.734 | 61% | 0.608 | S | S | * | * | trans | -55.1 | 110.6 | 174.6 | 23.4 | -30.9 | 0 | 0 | 0 | 105 | S99 | P97-S99 VanDerWaalsContact C-N 3.3Å; P97-S99 PolarHBondContact O-N 3.36Å; P97-S99 PolarHBondContact O-OG 3.06Å | ||
| 98 | N | 45.5 | Very low | 56.1 | Low | 115 Ų | 115 | 124.9 Ų | 124.9 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | trans | -42.7 | 99.6 | -174 | 179.3 | 23.4 | 0 | 0 | 0 | 107.7 | E96 Q100 | E96-N98 VanDerWaalsContact C-N 3.33Å; E96-N98 PolarHBondContact O-N 2.91Å; N98-Q100 PolarHBondContact ND2-OE1 3.31Å; N98-Q100 PolarHBondContact O-N 2.92Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.39Å; N98-Q100 VanDerWaalsContact OD1-CG 3.26Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.5Å | ||
| 99 | S | 47 | Very low | 54 | Low | 116 Ų | 116 | 127.8 Ų | 127.8 | 81% | 0.811 | 66% | 0.663 | S | S | * | * | trans | -79.5 | 60.5 | 173.6 | -67.2 | 0 | 0 | 0 | 0 | 105.4 | P97 G101 | P97-S99 VanDerWaalsContact C-N 3.3Å; P97-S99 PolarHBondContact O-N 3.36Å; P97-S99 PolarHBondContact O-OG 3.06Å; S99-G101 PolarHBondContact O-N 2.96Å | ||
| 100 | Q | 56.3 | Low | 52.3 | Low | 162 Ų | 162 | 135.7 Ų | 135.7 | 76% | 0.757 | 70% | 0.699 | S | S | * | * | trans | -71.6 | 88.9 | 174.7 | -120.1 | 178.4 | -4.7 | 0 | 0 | 106.7 | N98 | N98-Q100 PolarHBondContact ND2-OE1 3.31Å; N98-Q100 PolarHBondContact O-N 2.92Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.39Å; N98-Q100 VanDerWaalsContact OD1-CG 3.26Å; N98-Q100 WeakPolarHBondContact OD1-CG 3.5Å | ||
| 101 | G | 48.4 | Very low | 50.7 | Low | 60 Ų | 60 | 139.9 Ų | 139.9 | 62% | 0.619 | 73% | 0.728 | S | S | * | * | trans | 68.6 | 75.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | S99 R103 | S99-G101 PolarHBondContact O-N 2.96Å; G101-R103 PolarHBondContact O-N 3.45Å | ||
| 102 | Q | 47.1 | Very low | 49.9 | Very low | 202 Ų | 202 | 139.4 Ų | 139.4 | 94% | 0.944 | 74% | 0.737 | S | S | * | * | trans | -73.4 | 72.1 | 142.2 | -154.5 | 173.3 | -18.1 | 0 | 0 | 107.6 | N104 | Q102-N104 PolarHBondContact O-N 3.44Š| ||
| 103 | R | 52.5 | Low | 49.3 | Very low | 226 Ų | 226 | 137.1 Ų | 137.1 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -73.8 | 91.9 | 168 | -157 | 179.5 | -167.4 | -178.7 | 4.8 | 106.2 | G101 R105 | G101-R103 PolarHBondContact O-N 3.45Å; R103-R105 PolarHBondContact O-N 3.11Å; R103-R105 VanDerWaalsContact O-N 3.11Å | ||
| 104 | N | 52.6 | Low | 49.3 | Very low | 136 Ų | 136 | 140 Ų | 140 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | trans | -48.6 | 113.7 | 160.2 | -175.5 | 22.1 | 0 | 0 | 0 | 108.5 | Q102 | Q102-N104 PolarHBondContact O-N 3.44Š| ||
| 105 | R | 49.3 | Very low | 49.4 | Very low | 211 Ų | 211 | 141.6 Ų | 141.6 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | -146.2 | 82.3 | 157.4 | -166.1 | 167 | 174 | 147.9 | -3.3 | 108.1 | R103 | R103-R105 PolarHBondContact O-N 3.11Å; R103-R105 VanDerWaalsContact O-N 3.11Å | ||
| 106 | E | 49.4 | Very low | 49.3 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 72% | 0.715 | 77% | 0.772 | S | S | * | * | 39.4 | 110.9 | 127.1 | -61.5 | 172.9 | 98.2 | 0 | 0 | 116.5 | T108 | E106-T108 PolarHBondContact O-N 3.18Š| |||
| 107 | K | 52.1 | Low | 49.5 | Very low | 210 Ų | 210 | 146.6 Ų | 146.6 | 91% | 0.913 | 79% | 0.793 | S | S | * | * | trans | -29.9 | 113.4 | 151 | -90.1 | 172.1 | 166.7 | -179.5 | 0 | 111.9 | ||||
| 108 | T | 45.4 | Very low | 49.6 | Very low | 146 Ų | 146 | 148.3 Ų | 148.3 | 90% | 0.896 | 80% | 0.796 | S | S | * | * | trans | -160.8 | 133.4 | 138.3 | -51.5 | 0 | 0 | 0 | 0 | 109 | E106 | E106-T108 PolarHBondContact O-N 3.18Š| ||
| 109 | G | 47.1 | Very low | 49.8 | Very low | 66 Ų | 66 | 150 Ų | 150 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | trans | 103.9 | 89 | 150.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 110 | E | 50.8 | Low | 50 | Low | 186 Ų | 186 | 151.9 Ų | 151.9 | 87% | 0.869 | 81% | 0.805 | S | S | * | * | 27.9 | 139 | 125.2 | -68.6 | -150.5 | 92.4 | 0 | 0 | 121.6 | |||||
| 111 | S | 50.8 | Low | 49.6 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 69% | 0.692 | 81% | 0.808 | S | S | * | * | trans | 91.4 | 103.3 | 137.3 | -66.8 | 0 | 0 | 0 | 0 | 120 | ||||
| 112 | N | 50.1 | Low | 49.7 | Very low | 149 Ų | 149 | 157 Ų | 157 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | 74.9 | 143.9 | 114.8 | -152.1 | 31.6 | 0 | 0 | 0 | 120.6 | |||||
| 113 | C | 50.3 | Low | 49.8 | Very low | 83 Ų | 83 | 154 Ų | 154 | 56% | 0.561 | 81% | 0.811 | S | S | * | * | trans | 72.6 | 108.1 | 157.3 | -80.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 114 | C | 51.7 | Low | 49.7 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 95% | 0.953 | 81% | 0.808 | S | S | * | * | trans | -127.7 | 94.4 | 132.8 | -77.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 115 | V | 49 | Very low | 49.4 | Very low | 112 Ų | 112 | 149.8 Ų | 149.8 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | trans | -96.5 | 136.9 | 154 | -83.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 116 | I | 46 | Very low | 49.4 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | 62.3 | 116.7 | 146 | -55.1 | 161.8 | 0 | 0 | 0 | 118.5 | ||||
| 117 | L | 50.7 | Low | 49.4 | Very low | 242 Ų | 242 | 144 Ų | 144 | 100% | 1.267 | 83% | 0.825 | S | S | * | * | -157.7 | 0 | 103.5 | -121.2 | 138.1 | 0 | 0 | 0 | 111.3 |
Retrieved 117 of 117 residues in 899.3 ms
(Link to these results)