| 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 | K | 83.6 | Confident | 90.2 | Very high | 143 Ų | 143 | 74.8 Ų | 74.8 | 62% | 0.622 | 39% | 0.391 | S | S | * | . | 0 | -54.7 | 0 | -176.5 | -179.7 | 177.3 | -172.9 | 0 | 108.5 | Y3 F4 S5 V10 V13 | K1-Y3 VanDerWaalsContact C-N 3.31Å; K1-Y3 PolarHBondContact O-N 3.08Å; K1-F4 PolarHBondContact O-N 3.46Å; K1-S5 PolarHBondContact O-N 3.39Å; K1-S5 PolarHBondContact O-OG 2.95Å; K1-V10 HydrophobicContact CG-CG1 4.38Å; K1-V13 HydrophobicContact CB-CB 4.46Å; K1-V13 HydrophobicContact CB-CG2 3.82Å; K1-V13 HydrophobicContact CG-CG2 3.9Å | |||
| 2 | D | 90.8 | Very high | 89.7 | Confident | 134 Ų | 134 | 76.3 Ų | 76.3 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -48.7 | -46.5 | -177.1 | -44 | -30.3 | 0 | 0 | 0 | 113.8 | F4 S5 | D2-F4 PolarHBondContact O-N 3Å; D2-S5 WeakPolarHBondContact O-CB 3.15Å; D2-S5 PolarHBondContact O-N 2.79Å |
| 3 | Y | 91.9 | Very high | 89.6 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 29% | 0.29 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.8 | -50 | 174.8 | 179.8 | -95.5 | 0 | 0 | 0 | 113.2 | K1 S5 T6 F7 H46 M47 I48 | K1-Y3 VanDerWaalsContact C-N 3.31Å; K1-Y3 PolarHBondContact O-N 3.08Å; Y3-S5 VanDerWaalsContact C-N 3.32Å; Y3-S5 PolarHBondContact O-N 3.31Å; Y3-T6 WeakPolarHBondContact O-CB 3.39Å; Y3-T6 WeakPolarHBondContact O-CG2 3.46Å; Y3-T6 PolarHBondContact O-N 3.47Å; Y3-T6 PolarHBondContact O-OG1 2.9Å; Y3-F7 HydrophobicContact CD1-CE2 4.38Å; Y3-F7 AromaticContact CE1-CE2 3.76Å; Y3-F7 HydrophobicContact CE1-CE2 3.76Å; Y3-F7 AromaticContact CZ-CE2 3.96Å; Y3-H46 HydrophobicContact CE1-CB 3.71Å; Y3-H46 AromaticContact CE1-CG 3.79Å; Y3-H46 AromaticContact CE1-ND1 3.4Å; Y3-H46 WeakPolarHBondContact CE1-ND1 3.2Å; Y3-H46 AromaticContact CZ-ND1 3.62Å; Y3-H46 PolarHBondContact OH-ND1 3.09Å; Y3-M47 WeakPolarHBondContact CE2-O 3.41Å; Y3-I48 HydrophobicContact CD1-CD1 3.71Å; Y3-I48 HydrophobicContact CD1-CG1 3.73Å; Y3-I48 HydrophobicContact CD2-CG1 4.46Å; Y3-I48 HydrophobicContact CE1-CD1 4.06Å; Y3-I48 HydrophobicContact CE1-CG1 3.92Å; Y3-I48 HydrophobicContact CG-CD1 4.35Å; Y3-I48 HydrophobicContact CG-CG1 4.02Å |
| 4 | F | 91.9 | Very high | 89.4 | Confident | 12 Ų | 12 | 73.8 Ų | 73.8 | 5% | 0.053 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.6 | -26 | -177.6 | -76.1 | -64.8 | 0 | 0 | 0 | 113 | K1 D2 T6 F7 V10 V30 F32 V41 I48 V173 | K1-F4 PolarHBondContact O-N 3.46Å; D2-F4 PolarHBondContact O-N 3Å; F4-T6 PolarHBondContact O-N 3.33Å; F4-T6 VanDerWaalsContact O-N 3.13Å; F4-F7 HydrophobicContact CD1-CD2 4.5Å; F4-F7 PolarHBondContact O-N 2.74Å; F4-V10 HydrophobicContact CB-CG2 3.89Å; F4-V30 HydrophobicContact CB-CG2 4.07Å; F4-V30 HydrophobicContact CD2-CB 4.42Å; F4-V30 HydrophobicContact CD2-CG2 4.27Å; F4-V30 HydrophobicContact CG-CG2 4.13Å; F4-F32 HydrophobicContact CB-CE1 4.23Å; F4-F32 HydrophobicContact CB-CZ 3.87Å; F4-F32 AromaticContact CD1-CZ 3.91Å; F4-F32 HydrophobicContact CD1-CZ 3.91Å; F4-F32 HydrophobicContact CG-CZ 4.2Å; F4-F32 WeakPolarHBondContact O-CE1 3.38Å; F4-V41 HydrophobicContact CD1-CG1 4Å; F4-V41 HydrophobicContact CE1-CG1 3.64Å; F4-I48 HydrophobicContact CD2-CD1 4.48Å; F4-I48 HydrophobicContact CE2-CD1 3.57Å; F4-I48 HydrophobicContact CZ-CD1 3.68Å; F4-V173 HydrophobicContact CE2-CG1 4.13Å; F4-V173 HydrophobicContact CE2-CG2 3.84Å; F4-V173 HydrophobicContact CZ-CB 4.4Å; F4-V173 HydrophobicContact CZ-CG1 3.85Å; F4-V173 HydrophobicContact CZ-CG2 3.65Å |
| 5 | S | 92.6 | Very high | 89.2 | Confident | 54 Ų | 54 | 73.2 Ų | 73.2 | 38% | 0.378 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61 | -18.9 | 173.7 | -57.9 | 0 | 0 | 0 | 0 | 113.1 | K1 D2 Y3 F7 G8 | K1-S5 PolarHBondContact O-N 3.39Å; K1-S5 PolarHBondContact O-OG 2.95Å; D2-S5 WeakPolarHBondContact O-CB 3.15Å; D2-S5 PolarHBondContact O-N 2.79Å; Y3-S5 VanDerWaalsContact C-N 3.32Å; Y3-S5 PolarHBondContact O-N 3.31Å; S5-F7 PolarHBondContact O-N 2.94Å; S5-G8 WeakPolarHBondContact CA-O 3.37Å |
| 6 | T | 92.9 | Very high | 88.9 | Confident | 107 Ų | 107 | 72.1 Ų | 72.1 | 66% | 0.656 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -18.3 | 174.8 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | Y3 F4 | Y3-T6 WeakPolarHBondContact O-CB 3.39Å; Y3-T6 WeakPolarHBondContact O-CG2 3.46Å; Y3-T6 PolarHBondContact O-N 3.47Å; Y3-T6 PolarHBondContact O-OG1 2.9Å; F4-T6 PolarHBondContact O-N 3.33Å; F4-T6 VanDerWaalsContact O-N 3.13Å |
| 7 | F | 90.1 | Very high | 88.7 | Confident | 40 Ų | 40 | 75.4 Ų | 75.4 | 18% | 0.175 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -22.1 | -179.4 | -65.8 | -85.6 | 0 | 0 | 0 | 113.2 | Y3 F4 S5 T37 K40 V41 H46 | Y3-F7 HydrophobicContact CD1-CE2 4.38Å; Y3-F7 AromaticContact CE1-CE2 3.76Å; Y3-F7 HydrophobicContact CE1-CE2 3.76Å; Y3-F7 AromaticContact CZ-CE2 3.96Å; F4-F7 HydrophobicContact CD1-CD2 4.5Å; F4-F7 PolarHBondContact O-N 2.74Å; S5-F7 PolarHBondContact O-N 2.94Å; F7-T37 HydrophobicContact CB-CG2 3.78Å; F7-T37 VanDerWaalsContact O-CG2 3.28Å; F7-T37 WeakPolarHBondContact O-CG2 3.34Å; F7-K40 HydrophobicContact CD1-CD 4.47Å; F7-V41 HydrophobicContact CB-CG2 3.72Å; F7-V41 HydrophobicContact CD1-CG2 3.97Å; F7-V41 HydrophobicContact CD2-CG2 4.09Å; F7-V41 HydrophobicContact CG-CG2 3.64Å; F7-H46 AromaticContact CE2-CE1 3.95Å; F7-H46 AromaticContact CE2-ND1 3.97Å; F7-H46 AromaticContact CZ-CE1 3.67Å; F7-H46 AromaticContact CZ-ND1 3.82Å |
| 8 | G | 90.3 | Very high | 88 | Confident | 23 Ų | 23 | 73.8 Ų | 73.8 | 24% | 0.237 | 38% | 0.379 | C | S | . | . | S | Bend | trans | 162 | 178.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S5 V10 | S5-G8 WeakPolarHBondContact CA-O 3.37Å; G8-V10 PolarHBondContact O-N 3.04Å |
| 9 | E | 90.8 | Very high | 87.5 | Confident | 134 Ų | 134 | 79.1 Ų | 79.1 | 63% | 0.626 | 41% | 0.407 | S | S | * | . | trans | -69 | 121.8 | -176.8 | -173.9 | -175.4 | 170.2 | 0 | 0 | 111.6 | F32 T33 | E9-F32 WeakPolarHBondContact O-CA 3.37Å; E9-T33 HydrophobicContact CB-CG2 3.83Å; E9-T33 HydrophobicContact CG-CG2 3.76Å; E9-T33 PolarHBondContact O-N 3.44Å; E9-T33 PolarHBondContact O-OG1 2.98Å | ||
| 10 | V | 90.4 | Very high | 87.1 | Confident | 12 Ų | 12 | 85.1 Ų | 85.1 | 7% | 0.073 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 109.6 | -179.3 | 178.9 | 0 | 0 | 0 | 0 | 110 | K1 F4 G8 M12 V13 V30 R31 F32 | K1-V10 HydrophobicContact CG-CG1 4.38Å; F4-V10 HydrophobicContact CB-CG2 3.89Å; G8-V10 PolarHBondContact O-N 3.04Å; V10-M12 WeakPolarHBondContact CG1-O 3.38Å; V10-V13 HydrophobicContact CG1-CG2 3.5Å; V10-V13 VanDerWaalsContact CG1-CG2 3.5Å; V10-V30 HydrophobicContact CG1-CG2 3.73Å; V10-V30 HydrophobicContact CG2-CG2 4.29Å; V10-R31 CarbonylContact C-O 3.49Å; V10-F32 HydrophobicContact CG2-CD1 3.91Å; V10-F32 HydrophobicContact CG2-CE1 3.51Å; V10-F32 HydrophobicContact CG2-CZ 4.3Å |
| 11 | L | 86.8 | Confident | 87 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 47% | 0.471 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | -40.8 | 174.6 | -70.7 | 178.8 | 0 | 0 | 0 | 112.5 | R31 T33 | L11-R31 HydrophobicContact CB-CB 4.36Å; L11-R31 HydrophobicContact CB-CG 4.3Å; L11-R31 HydrophobicContact CD1-CG 4.27Å; L11-R31 PolarHBondContact N-O 3.23Å; L11-T33 HydrophobicContact CD1-CG2 4.16Å; L11-T33 HydrophobicContact CD2-CG2 3.52Å; L11-T33 HydrophobicContact CG-CG2 3.58Å |
| 12 | M | 84.4 | Confident | 86.9 | Confident | 92 Ų | 92 | 80.6 Ų | 80.6 | 45% | 0.453 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 142.3 | -172.5 | -172.9 | -177.4 | -174.4 | 0 | 0 | 111.8 | V10 Q14 V30 R31 | V10-M12 WeakPolarHBondContact CG1-O 3.38Å; M12-Q14 HydrophobicContact CE-CB 4.21Å; M12-V30 CarbonylContact O-C 3.53Å; M12-V30 WeakPolarHBondContact O-CA 3.37Å; M12-R31 HydrophobicContact CB-CB 4.01Å; M12-R31 PolarHBondContact N-O 3.19Å; M12-R31 PolarHBondContact O-N 2.88Å |
| 13 | V | 88.1 | Confident | 86.3 | Confident | 56 Ų | 56 | 80.8 Ų | 80.8 | 34% | 0.339 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.4 | 164.7 | -176.1 | 0 | 0 | 0 | 0 | 109.1 | K1 V10 F29 V30 | K1-V13 HydrophobicContact CB-CB 4.46Å; K1-V13 HydrophobicContact CB-CG2 3.82Å; K1-V13 HydrophobicContact CG-CG2 3.9Å; V10-V13 HydrophobicContact CG1-CG2 3.5Å; V10-V13 VanDerWaalsContact CG1-CG2 3.5Å; V13-F29 CarbonylContact C-O 3.6Å; V13-F29 VanDerWaalsContact CA-O 3.3Å; V13-F29 WeakPolarHBondContact CA-O 3.16Å; V13-V30 HydrophobicContact CG2-CG2 4.17Å |
| 14 | Q | 86.4 | Confident | 85.8 | Confident | 62 Ų | 62 | 80.4 Ų | 80.4 | 29% | 0.29 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 105.7 | 176.8 | -173.1 | 178.9 | 50.5 | 0 | 0 | 110.8 | M12 K16 G28 F29 | M12-Q14 HydrophobicContact CE-CB 4.21Å; Q14-K16 VanDerWaalsContact OE1-CE 3.25Å; Q14-G28 CarbonylContact O-C 3.54Å; Q14-G28 WeakPolarHBondContact O-CA 3.33Å; Q14-F29 PolarHBondContact N-O 2.92Å; Q14-F29 PolarHBondContact O-N 3.33Å |
| 15 | V | 87.2 | Confident | 85.3 | Confident | 65 Ų | 65 | 85.2 Ų | 85.2 | 39% | 0.394 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 127.2 | 170.8 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | K17 L175 | V15-K17 HydrophobicContact CG1-CG 4.43Å; V15-L175 HydrophobicContact CG1-CD1 4.43Å |
| 16 | K | 84.4 | Confident | 84.8 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 24% | 0.243 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 122 | 176.6 | -68.6 | -60.1 | -176 | -178.1 | 0 | 109.2 | Q14 K25 F27 F29 | Q14-K16 VanDerWaalsContact OE1-CE 3.25Å; K16-K25 HydrophobicContact CB-CB 4.41Å; K16-K25 WeakPolarHBondContact O-CB 3.47Å; K16-K25 PolarHBondContact O-N 2.85Å; K16-F27 HydrophobicContact CB-CD2 4.24Å; K16-F27 HydrophobicContact CB-CE1 4.13Å; K16-F27 HydrophobicContact CB-CE2 3.85Å; K16-F27 HydrophobicContact CB-CZ 3.78Å; K16-F27 HydrophobicContact CG-CD2 4.05Å; K16-F27 HydrophobicContact CG-CE2 3.48Å; K16-F27 VanDerWaalsContact CG-CE2 3.48Å; K16-F27 HydrophobicContact CG-CZ 3.8Å; K16-F27 PolarHBondContact N-O 3.21Å; K16-F29 HydrophobicContact CD-CE2 4.27Å; K16-F29 VanDerWaalsContact CE-CE2 3.43Å; K16-F29 HydrophobicContact CG-CD2 4.2Å; K16-F29 HydrophobicContact CG-CE2 3.82Å |
| 17 | K | 84.7 | Confident | 84.5 | Confident | 128 Ų | 128 | 80.9 Ų | 80.9 | 56% | 0.557 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 154.2 | 176.1 | -60.7 | 179.4 | 179 | -171.8 | 0 | 109.4 | V15 H23 | V15-K17 HydrophobicContact CG1-CG 4.43Å; K17-H23 CarbonylContact C-O 3.46Å; K17-H23 VanDerWaalsContact CA-O 3.22Å; K17-H23 WeakPolarHBondContact CA-O 3.32Å |
| 18 | D | 77.5 | Confident | 84.4 | Confident | 46 Ų | 46 | 79.2 Ų | 79.2 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | trans | -67.5 | 132.5 | 166.2 | -166.2 | -74.3 | 0 | 0 | 0 | 109.2 | K20 T21 G22 H23 | D18-K20 WeakPolarHBondContact OD1-CA 3.39Å; D18-K20 WeakPolarHBondContact OD1-CB 3.41Å; D18-K20 PolarHBondContact OD1-N 3.08Å; D18-T21 WeakPolarHBondContact CB-OG1 3.45Å; D18-T21 PolarHBondContact OD1-N 3.21Å; D18-T21 VanDerWaalsContact OD1-N 3.13Å; D18-G22 WeakPolarHBondContact O-CA 3.48Å; D18-G22 PolarHBondContact O-N 2.89Å; D18-H23 PolarHBondContact N-O 2.72Å | ||
| 19 | L | 77.3 | Confident | 84.4 | Confident | 175 Ų | 175 | 80.7 Ų | 80.7 | 92% | 0.916 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -26.4 | -176.6 | -68.7 | 171.8 | 0 | 0 | 0 | 112.5 | ||
| 20 | K | 79.7 | Confident | 84.4 | Confident | 199 Ų | 199 | 74.4 Ų | 74.4 | 87% | 0.865 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -42.3 | -179.4 | -62.3 | -177.1 | 179.5 | 179.8 | 0 | 110.7 | D18 | D18-K20 WeakPolarHBondContact OD1-CA 3.39Å; D18-K20 WeakPolarHBondContact OD1-CB 3.41Å; D18-K20 PolarHBondContact OD1-N 3.08Å |
| 21 | T | 84.7 | Confident | 84.2 | Confident | 88 Ų | 88 | 76.7 Ų | 76.7 | 54% | 0.54 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -17.9 | -175.2 | 70.4 | 0 | 0 | 0 | 0 | 114 | D18 H23 | D18-T21 WeakPolarHBondContact CB-OG1 3.45Å; D18-T21 PolarHBondContact OD1-N 3.21Å; D18-T21 VanDerWaalsContact OD1-N 3.13Å; T21-H23 PolarHBondContact O-CD2 3.46Å; T21-H23 VanDerWaalsContact O-CD2 3.24Å; T21-H23 PolarHBondContact O-N 3.19Å; T21-H23 WeakPolarHBondContact OG1-CB 3.39Å; T21-H23 PolarHBondContact OG1-N 3.2Å |
| 22 | G | 81.3 | Confident | 84.3 | Confident | 45 Ų | 45 | 72.4 Ų | 72.4 | 46% | 0.464 | 38% | 0.375 | S | S | . | . | trans | 74.6 | -3.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D18 | D18-G22 WeakPolarHBondContact O-CA 3.48Å; D18-G22 PolarHBondContact O-N 2.89Å | ||
| 23 | H | 79.4 | Confident | 84.4 | Confident | 138 Ų | 138 | 70.3 Ų | 70.3 | 64% | 0.639 | 37% | 0.367 | S | S | * | . | trans | -72.2 | 144.5 | -177.5 | -73.5 | -145.9 | 0 | 0 | 0 | 111.3 | K17 D18 T21 K25 | K17-H23 CarbonylContact C-O 3.46Å; K17-H23 VanDerWaalsContact CA-O 3.22Å; K17-H23 WeakPolarHBondContact CA-O 3.32Å; D18-H23 PolarHBondContact N-O 2.72Å; T21-H23 PolarHBondContact O-CD2 3.46Å; T21-H23 VanDerWaalsContact O-CD2 3.24Å; T21-H23 PolarHBondContact O-N 3.19Å; T21-H23 WeakPolarHBondContact OG1-CB 3.39Å; T21-H23 PolarHBondContact OG1-N 3.2Å; H23-K25 PolarHBondContact O-N 3.36Å | ||
| 24 | S | 82.1 | Confident | 84.2 | Confident | 66 Ų | 66 | 73 Ų | 73 | 46% | 0.462 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 137.7 | 174.2 | -176.6 | 0 | 0 | 0 | 0 | 111 | G26 | S24-G26 PolarHBondContact O-N 2.96Å; S24-G26 PolarHBondContact OG-N 3.42Å |
| 25 | K | 79.9 | Confident | 83.9 | Confident | 113 Ų | 113 | 75 Ų | 75 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 6 | 172.3 | -66.6 | -166.6 | 170.9 | -171 | 0 | 112.9 | K16 H23 F27 | K16-K25 HydrophobicContact CB-CB 4.41Å; K16-K25 WeakPolarHBondContact O-CB 3.47Å; K16-K25 PolarHBondContact O-N 2.85Å; H23-K25 PolarHBondContact O-N 3.36Å; K25-F27 VanDerWaalsContact C-N 3.29Å; K25-F27 HydrophobicContact CB-CD1 3.84Å; K25-F27 HydrophobicContact CB-CE1 3.64Å; K25-F27 HydrophobicContact CD-CE1 4.22Å; K25-F27 PolarHBondContact O-N 2.93Å |
| 26 | G | 83.1 | Confident | 83.7 | Confident | 22 Ų | 22 | 79.1 Ų | 79.1 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 71.4 | 23.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | S24 L175 | S24-G26 PolarHBondContact O-N 2.96Å; S24-G26 PolarHBondContact OG-N 3.42Å; G26-L175 PolarHBondContact O-N 2.91Å |
| 27 | F | 86.5 | Confident | 83.8 | Confident | 48 Ų | 48 | 77 Ų | 77 | 21% | 0.211 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 160.5 | 169.9 | 73.5 | -83.9 | 0 | 0 | 0 | 111.8 | K16 K25 F29 K172 V173 | K16-F27 HydrophobicContact CB-CD2 4.24Å; K16-F27 HydrophobicContact CB-CE1 4.13Å; K16-F27 HydrophobicContact CB-CE2 3.85Å; K16-F27 HydrophobicContact CB-CZ 3.78Å; K16-F27 HydrophobicContact CG-CD2 4.05Å; K16-F27 HydrophobicContact CG-CE2 3.48Å; K16-F27 VanDerWaalsContact CG-CE2 3.48Å; K16-F27 HydrophobicContact CG-CZ 3.8Å; K16-F27 PolarHBondContact N-O 3.21Å; K25-F27 VanDerWaalsContact C-N 3.29Å; K25-F27 HydrophobicContact CB-CD1 3.84Å; K25-F27 HydrophobicContact CB-CE1 3.64Å; K25-F27 HydrophobicContact CD-CE1 4.22Å; K25-F27 PolarHBondContact O-N 2.93Å; F27-F29 HydrophobicContact CD2-CE2 4.16Å; F27-F29 HydrophobicContact CD2-CZ 4.32Å; F27-F29 AromaticContact CE2-CE2 3.74Å; F27-F29 HydrophobicContact CE2-CE2 3.74Å; F27-F29 AromaticContact CE2-CZ 3.92Å; F27-F29 HydrophobicContact CE2-CZ 3.92Å; F27-K172 HydrophobicContact CD2-CD 4.33Å; F27-K172 VanDerWaalsContact CD2-CE 3.45Å; F27-K172 HydrophobicContact CD2-CG 4.18Å; F27-V173 CarbonylContact C-O 3.57Å; F27-V173 WeakPolarHBondContact CA-O 3.36Å; F27-V173 VanDerWaalsContact CB-O 3.26Å; F27-V173 WeakPolarHBondContact CB-O 3.42Å |
| 28 | G | 88.6 | Confident | 83.7 | Confident | 5 Ų | 5 | 70.9 Ų | 70.9 | 5% | 0.052 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | -177 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q14 K172 V173 | Q14-G28 CarbonylContact O-C 3.54Å; Q14-G28 WeakPolarHBondContact O-CA 3.33Å; G28-K172 CarbonylContact O-C 3.45Å; G28-K172 WeakPolarHBondContact O-CA 3.22Å; G28-V173 PolarHBondContact N-O 2.96Å; G28-V173 PolarHBondContact O-N 3.15Å |
| 29 | F | 89.9 | Confident | 83.8 | Confident | 55 Ų | 55 | 72 Ų | 72 | 24% | 0.241 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.2 | 172.8 | -60.7 | -85.7 | 0 | 0 | 0 | 109.6 | V13 Q14 K16 F27 P58 L171 K172 | V13-F29 CarbonylContact C-O 3.6Å; V13-F29 VanDerWaalsContact CA-O 3.3Å; V13-F29 WeakPolarHBondContact CA-O 3.16Å; Q14-F29 PolarHBondContact N-O 2.92Å; Q14-F29 PolarHBondContact O-N 3.33Å; K16-F29 HydrophobicContact CD-CE2 4.27Å; K16-F29 VanDerWaalsContact CE-CE2 3.43Å; K16-F29 HydrophobicContact CG-CD2 4.2Å; K16-F29 HydrophobicContact CG-CE2 3.82Å; F27-F29 HydrophobicContact CD2-CE2 4.16Å; F27-F29 HydrophobicContact CD2-CZ 4.32Å; F27-F29 AromaticContact CE2-CE2 3.74Å; F27-F29 HydrophobicContact CE2-CE2 3.74Å; F27-F29 AromaticContact CE2-CZ 3.92Å; F27-F29 HydrophobicContact CE2-CZ 3.92Å; F29-P58 HydrophobicContact CD1-CB 4.17Å; F29-P58 HydrophobicContact CE1-CB 3.84Å; F29-L171 CarbonylContact C-O 3.59Å; F29-L171 WeakPolarHBondContact CA-O 3.13Å; F29-K172 HydrophobicContact CD1-CB 4.04Å; F29-K172 HydrophobicContact CD1-CG 4.4Å; F29-K172 HydrophobicContact CE1-CB 3.81Å; F29-K172 HydrophobicContact CE1-CD 4.33Å; F29-K172 HydrophobicContact CE1-CG 3.92Å; F29-K172 HydrophobicContact CZ-CG 4.37Å |
| 30 | V | 90.1 | Very high | 84.2 | Confident | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138.9 | 169.9 | 62.7 | 0 | 0 | 0 | 0 | 108.3 | F4 V10 M12 V13 F32 S170 L171 V173 | F4-V30 HydrophobicContact CB-CG2 4.07Å; F4-V30 HydrophobicContact CD2-CB 4.42Å; F4-V30 HydrophobicContact CD2-CG2 4.27Å; F4-V30 HydrophobicContact CG-CG2 4.13Å; V10-V30 HydrophobicContact CG1-CG2 3.73Å; V10-V30 HydrophobicContact CG2-CG2 4.29Å; M12-V30 CarbonylContact O-C 3.53Å; M12-V30 WeakPolarHBondContact O-CA 3.37Å; V13-V30 HydrophobicContact CG2-CG2 4.17Å; V30-F32 HydrophobicContact CG1-CE2 3.9Å; V30-F32 HydrophobicContact CG1-CZ 4.49Å; V30-F32 HydrophobicContact CG2-CD2 4.48Å; V30-F32 HydrophobicContact CG2-CE2 3.94Å; V30-F32 HydrophobicContact CG2-CZ 3.97Å; V30-S170 CarbonylContact O-C 3.54Å; V30-S170 WeakPolarHBondContact O-CA 3.42Å; V30-L171 HydrophobicContact CG1-CB 3.79Å; V30-L171 HydrophobicContact CG1-CD1 4.44Å; V30-L171 PolarHBondContact N-O 2.84Å; V30-L171 PolarHBondContact O-N 2.84Å; V30-V173 HydrophobicContact CB-CG2 4.36Å; V30-V173 HydrophobicContact CG1-CG2 3.64Å |
| 31 | R | 86.3 | Confident | 84.7 | Confident | 60 Ų | 60 | 60.1 Ų | 60.1 | 23% | 0.226 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 127.3 | 174.3 | -172.5 | -178 | 179.6 | -180 | 0.9 | 108.8 | V10 L11 M12 T169 | V10-R31 CarbonylContact C-O 3.49Å; L11-R31 HydrophobicContact CB-CB 4.36Å; L11-R31 HydrophobicContact CB-CG 4.3Å; L11-R31 HydrophobicContact CD1-CG 4.27Å; L11-R31 PolarHBondContact N-O 3.23Å; M12-R31 HydrophobicContact CB-CB 4.01Å; M12-R31 PolarHBondContact N-O 3.19Å; M12-R31 PolarHBondContact O-N 2.88Å; R31-T169 WeakPolarHBondContact CG-OG1 3.28Å; R31-T169 PolarHBondContact NE-OG1 3.39Å |
| 32 | F | 88.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 156.6 | 173.9 | -67.6 | -78.9 | 0 | 0 | 0 | 110.9 | F4 E9 V10 V30 T37 V41 T169 L171 | F4-F32 HydrophobicContact CB-CE1 4.23Å; F4-F32 HydrophobicContact CB-CZ 3.87Å; F4-F32 AromaticContact CD1-CZ 3.91Å; F4-F32 HydrophobicContact CD1-CZ 3.91Å; F4-F32 HydrophobicContact CG-CZ 4.2Å; F4-F32 WeakPolarHBondContact O-CE1 3.38Å; E9-F32 WeakPolarHBondContact O-CA 3.37Å; V10-F32 HydrophobicContact CG2-CD1 3.91Å; V10-F32 HydrophobicContact CG2-CE1 3.51Å; V10-F32 HydrophobicContact CG2-CZ 4.3Å; V30-F32 HydrophobicContact CG1-CE2 3.9Å; V30-F32 HydrophobicContact CG1-CZ 4.49Å; V30-F32 HydrophobicContact CG2-CD2 4.48Å; V30-F32 HydrophobicContact CG2-CE2 3.94Å; V30-F32 HydrophobicContact CG2-CZ 3.97Å; F32-T37 HydrophobicContact CB-CG2 4.35Å; F32-T37 HydrophobicContact CD1-CG2 3.34Å; F32-T37 HydrophobicContact CD2-CG2 4.21Å; F32-T37 HydrophobicContact CE1-CG2 3.5Å; F32-T37 VanDerWaalsContact CE1-CG2 3.5Å; F32-T37 HydrophobicContact CE2-CG2 4.36Å; F32-T37 HydrophobicContact CG-CG2 3.71Å; F32-T37 HydrophobicContact CZ-CG2 4.02Å; F32-V41 HydrophobicContact CE2-CB 4.28Å; F32-V41 HydrophobicContact CE2-CG1 4.22Å; F32-V41 HydrophobicContact CE2-CG2 4.01Å; F32-V41 HydrophobicContact CZ-CG2 3.83Å; F32-T169 PolarHBondContact N-O 3.49Å; F32-T169 VanDerWaalsContact N-O 3.16Å; F32-T169 VanDerWaalsContact O-CB 3.23Å; F32-T169 WeakPolarHBondContact O-CB 3.2Å; F32-T169 PolarHBondContact O-OG1 2.83Å; F32-L171 HydrophobicContact CD2-CD1 4.49Å; F32-L171 HydrophobicContact CE2-CD1 4.14Å |
| 33 | T | 86.4 | Confident | 84.8 | Confident | 48 Ų | 48 | 61.1 Ų | 61.1 | 29% | 0.294 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -64.1 | -48.9 | 165.7 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | E9 L11 | E9-T33 HydrophobicContact CB-CG2 3.83Å; E9-T33 HydrophobicContact CG-CG2 3.76Å; E9-T33 PolarHBondContact O-N 3.44Å; E9-T33 PolarHBondContact O-OG1 2.98Å; L11-T33 HydrophobicContact CD1-CG2 4.16Å; L11-T33 HydrophobicContact CD2-CG2 3.52Å; L11-T33 HydrophobicContact CG-CG2 3.58Å |
| 34 | E | 83.5 | Confident | 84.9 | Confident | 112 Ų | 112 | 58.9 Ų | 58.9 | 52% | 0.523 | 30% | 0.298 | S | S | . | . | trans | -99.6 | 142.7 | -173 | -64.4 | -173.1 | -175.2 | 0 | 0 | 113.2 | ||||
| 35 | Y | 80.2 | Confident | 84.9 | Confident | 104 Ų | 104 | 61.8 Ų | 61.8 | 41% | 0.408 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -72.4 | -33.9 | 175.4 | 178.4 | -103.2 | 0 | 0 | 0 | 112 | T37 Q38 V39 | Y35-T37 VanDerWaalsContact C-N 3.33Å; Y35-T37 PolarHBondContact O-N 3.44Å; Y35-Q38 VanDerWaalsContact O-CB 3.24Å; Y35-Q38 WeakPolarHBondContact O-CB 3.43Å; Y35-Q38 PolarHBondContact O-N 3.36Å; Y35-Q38 VanDerWaalsContact O-N 3.09Å; Y35-V39 HydrophobicContact CD1-CG2 4.13Å; Y35-V39 HydrophobicContact CE1-CG2 3.61Å; Y35-V39 HydrophobicContact CE2-CG2 4.3Å; Y35-V39 PolarHBondContact O-N 2.78Å; Y35-V39 VanDerWaalsContact O-N 3.07Å |
| 36 | E | 83.8 | Confident | 85.4 | Confident | 152 Ų | 152 | 56.4 Ų | 56.4 | 71% | 0.71 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.4 | -40.7 | 179 | -63.2 | -175.2 | -179 | 0 | 0 | 111.6 | Q38 V39 K40 | E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 3.44Å; E36-V39 PolarHBondContact O-N 2.96Å; E36-K40 PolarHBondContact O-N 2.99Å |
| 37 | T | 86.7 | Confident | 85.6 | Confident | 10 Ų | 10 | 59 Ų | 59 | 6% | 0.061 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58 | -42.3 | 172.1 | -52.7 | 0 | 0 | 0 | 0 | 111.7 | F7 F32 Y35 K40 V41 | F7-T37 HydrophobicContact CB-CG2 3.78Å; F7-T37 VanDerWaalsContact O-CG2 3.28Å; F7-T37 WeakPolarHBondContact O-CG2 3.34Å; F32-T37 HydrophobicContact CB-CG2 4.35Å; F32-T37 HydrophobicContact CD1-CG2 3.34Å; F32-T37 HydrophobicContact CD2-CG2 4.21Å; F32-T37 HydrophobicContact CE1-CG2 3.5Å; F32-T37 VanDerWaalsContact CE1-CG2 3.5Å; F32-T37 HydrophobicContact CE2-CG2 4.36Å; F32-T37 HydrophobicContact CG-CG2 3.71Å; F32-T37 HydrophobicContact CZ-CG2 4.02Å; Y35-T37 VanDerWaalsContact C-N 3.33Å; Y35-T37 PolarHBondContact O-N 3.44Å; T37-K40 PolarHBondContact O-N 3.38Å; T37-V41 HydrophobicContact CG2-CG2 4.35Å; T37-V41 WeakPolarHBondContact O-CB 3.34Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.34Å; T37-V41 PolarHBondContact O-N 2.91Å |
| 38 | Q | 83.2 | Confident | 85.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60 | -47.2 | 177.9 | -179.6 | -173.4 | 13.8 | 0 | 0 | 111.7 | Y35 E36 V41 M42 S168 S170 L171 | Y35-Q38 VanDerWaalsContact O-CB 3.24Å; Y35-Q38 WeakPolarHBondContact O-CB 3.43Å; Y35-Q38 PolarHBondContact O-N 3.36Å; Y35-Q38 VanDerWaalsContact O-N 3.09Å; E36-Q38 VanDerWaalsContact C-N 3.28Å; E36-Q38 PolarHBondContact O-N 3.44Å; Q38-V41 PolarHBondContact O-N 3.39Å; Q38-M42 HydrophobicContact CG-SD 4.34Å; Q38-M42 WeakPolarHBondContact O-CG 3.38Å; Q38-M42 PolarHBondContact O-N 3.23Å; Q38-S168 PolarHBondContact NE2-O 3.05Å; Q38-S168 PolarHBondContact OE1-O 3.03Å; Q38-S170 PolarHBondContact NE2-O 2.86Å; Q38-S170 VanDerWaalsContact NE2-O 3.14Å; Q38-L171 HydrophobicContact CG-CD1 3.89Å; Q38-L171 HydrophobicContact CG-CD2 3.51Å; Q38-L171 HydrophobicContact CG-CG 3.69Å |
| 39 | V | 79.5 | Confident | 85.5 | Confident | 70 Ų | 70 | 65.7 Ų | 65.7 | 42% | 0.424 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62 | -45.1 | 179.2 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | Y35 E36 V41 M42 S43 | Y35-V39 HydrophobicContact CD1-CG2 4.13Å; Y35-V39 HydrophobicContact CE1-CG2 3.61Å; Y35-V39 HydrophobicContact CE2-CG2 4.3Å; Y35-V39 PolarHBondContact O-N 2.78Å; Y35-V39 VanDerWaalsContact O-N 3.07Å; E36-V39 PolarHBondContact O-N 2.96Å; V39-V41 VanDerWaalsContact C-N 3.33Å; V39-V41 PolarHBondContact O-N 2.9Å; V39-M42 PolarHBondContact O-N 3.42Å; V39-M42 VanDerWaalsContact O-N 3.12Å; V39-S43 PolarHBondContact O-N 3.38Å |
| 40 | K | 85.7 | Confident | 85.2 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 54% | 0.535 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.6 | -38 | 177.3 | -175 | 178.5 | -177.7 | 178.7 | 0 | 113.2 | F7 E36 T37 S43 | F7-K40 HydrophobicContact CD1-CD 4.47Å; E36-K40 PolarHBondContact O-N 2.99Å; T37-K40 PolarHBondContact O-N 3.38Å; K40-S43 PolarHBondContact O-OG 2.95Å |
| 41 | V | 89.3 | Confident | 84.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.9 | -30.2 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111 | F4 F7 F32 T37 Q38 V39 H46 C55 L171 | F4-V41 HydrophobicContact CD1-CG1 4Å; F4-V41 HydrophobicContact CE1-CG1 3.64Å; F7-V41 HydrophobicContact CB-CG2 3.72Å; F7-V41 HydrophobicContact CD1-CG2 3.97Å; F7-V41 HydrophobicContact CD2-CG2 4.09Å; F7-V41 HydrophobicContact CG-CG2 3.64Å; F32-V41 HydrophobicContact CE2-CB 4.28Å; F32-V41 HydrophobicContact CE2-CG1 4.22Å; F32-V41 HydrophobicContact CE2-CG2 4.01Å; F32-V41 HydrophobicContact CZ-CG2 3.83Å; T37-V41 HydrophobicContact CG2-CG2 4.35Å; T37-V41 WeakPolarHBondContact O-CB 3.34Å; T37-V41 VanDerWaalsContact O-CG2 3.26Å; T37-V41 WeakPolarHBondContact O-CG2 3.34Å; T37-V41 PolarHBondContact O-N 2.91Å; Q38-V41 PolarHBondContact O-N 3.39Å; V39-V41 VanDerWaalsContact C-N 3.33Å; V39-V41 PolarHBondContact O-N 2.9Å; V41-H46 WeakPolarHBondContact CG1-NE2 3.42Å; V41-H46 PolarHBondContact O-NE2 3.38Å; V41-C55 HydrophobicContact CG1-CB 3.92Å; V41-C55 VanDerWaalsContact CG1-SG 3.55Å; V41-L171 HydrophobicContact CB-CD1 4Å; V41-L171 HydrophobicContact CG1-CD1 3.6Å |
| 42 | M | 84.5 | Confident | 84.9 | Confident | 60 Ų | 60 | 77.7 Ų | 77.7 | 30% | 0.296 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -74.9 | -26.1 | 175.6 | -77 | -176 | 56.3 | 0 | 0 | 113.8 | Q38 V39 Q44 L57 L171 | Q38-M42 HydrophobicContact CG-SD 4.34Å; Q38-M42 WeakPolarHBondContact O-CG 3.38Å; Q38-M42 PolarHBondContact O-N 3.23Å; V39-M42 PolarHBondContact O-N 3.42Å; V39-M42 VanDerWaalsContact O-N 3.12Å; M42-Q44 PolarHBondContact O-N 3.37Å; M42-L57 HydrophobicContact CE-CD1 4.41Å; M42-L57 HydrophobicContact CE-CG 3.85Å; M42-L57 HydrophobicContact SD-CD2 3.93Å; M42-L57 HydrophobicContact SD-CG 3.79Å; M42-L171 HydrophobicContact CG-CD1 3.95Å; M42-L171 HydrophobicContact CG-CD2 3.37Å; M42-L171 HydrophobicContact CG-CG 4.32Å; M42-L171 HydrophobicContact SD-CD2 3.32Å; M42-L171 WeakPolarHBondContact SD-CD2 3.15Å |
| 43 | S | 83.1 | Confident | 84.7 | Confident | 94 Ų | 94 | 77.8 Ų | 77.8 | 66% | 0.657 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -2.4 | -173.2 | 67.1 | 0 | 0 | 0 | 0 | 114.5 | V39 K40 | V39-S43 PolarHBondContact O-N 3.38Å; K40-S43 PolarHBondContact O-OG 2.95Å |
| 44 | Q | 81.9 | Confident | 84.5 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 43% | 0.425 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -145.1 | 160.5 | -177.8 | 64 | -179.6 | 3.1 | 0 | 0 | 113.1 | M42 H46 | M42-Q44 PolarHBondContact O-N 3.37Å; Q44-H46 PolarHBondContact O-CD2 2.91Å; Q44-H46 PolarHBondContact O-NE2 3.02Å |
| 45 | R | 82.9 | Confident | 84.5 | Confident | 128 Ų | 128 | 73.1 Ų | 73.1 | 48% | 0.483 | 36% | 0.363 | S | S | . | . | trans | -81.8 | 148 | 170 | -57.8 | -168.1 | 78.7 | -154.1 | 3.1 | 110.2 | W52 D54 | R45-W52 HydrophobicContact CB-CE3 3.95Å; R45-W52 HydrophobicContact CB-CZ3 4.17Å; R45-D54 WeakPolarHBondContact CG-OD1 2.91Å; R45-D54 IonicContact CZ-OD1 3.88Å; R45-D54 IonicContact CZ-OD2 3.99Å; R45-D54 IonicContact NE-OD1 2.95Å; R45-D54 PolarHBondContact NE-OD1 2.77Å; R45-D54 IonicContact NE-OD2 3.75Å; R45-D54 IonicContact NH2-OD1 3.92Å; R45-D54 IonicContact NH2-OD2 3.34Å; R45-D54 PolarHBondContact NH2-OD2 2.88Å | ||
| 46 | H | 89.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 74.4 Ų | 74.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 140.8 | -177.2 | -64.4 | -81 | 0 | 0 | 0 | 111.1 | Y3 F7 V41 Q44 I48 W52 C53 C55 | Y3-H46 HydrophobicContact CE1-CB 3.71Å; Y3-H46 AromaticContact CE1-CG 3.79Å; Y3-H46 AromaticContact CE1-ND1 3.4Å; Y3-H46 WeakPolarHBondContact CE1-ND1 3.2Å; Y3-H46 AromaticContact CZ-ND1 3.62Å; Y3-H46 PolarHBondContact OH-ND1 3.09Å; F7-H46 AromaticContact CE2-CE1 3.95Å; F7-H46 AromaticContact CE2-ND1 3.97Å; F7-H46 AromaticContact CZ-CE1 3.67Å; F7-H46 AromaticContact CZ-ND1 3.82Å; V41-H46 WeakPolarHBondContact CG1-NE2 3.42Å; V41-H46 PolarHBondContact O-NE2 3.38Å; Q44-H46 PolarHBondContact O-CD2 2.91Å; Q44-H46 PolarHBondContact O-NE2 3.02Å; H46-I48 HydrophobicContact CB-CD1 4.45Å; H46-I48 HydrophobicContact CB-CG1 4.34Å; H46-W52 CarbonylContact O-C 3.52Å; H46-W52 WeakPolarHBondContact O-CA 3.31Å; H46-C53 HydrophobicContact CB-CB 4.36Å; H46-C53 PolarHBondContact N-O 3.21Å; H46-C53 PolarHBondContact O-N 2.8Å; H46-C55 PolarHBondContact CD2-SG 3.42Å |
| 47 | M | 87.4 | Confident | 84.3 | Confident | 75 Ų | 75 | 69.6 Ų | 69.6 | 37% | 0.369 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 114 | 171.4 | -176.7 | 65.8 | 78.4 | 0 | 0 | 108.6 | Y3 R51 W52 | Y3-M47 WeakPolarHBondContact CE2-O 3.41Å; M47-R51 VanDerWaalsContact SD-C 3.5Å; M47-R51 PolarHBondContact SD-N 3.07Å; M47-W52 HydrophobicContact CB-CE3 4.32Å; M47-W52 HydrophobicContact CB-CZ3 4.19Å; M47-W52 HydrophobicContact CE-CD2 3.55Å; M47-W52 HydrophobicContact CE-CE3 4.13Å; M47-W52 HydrophobicContact CE-CG 3.95Å; M47-W52 HydrophobicContact CE-CH2 4.09Å; M47-W52 HydrophobicContact CE-CZ2 3.51Å; M47-W52 HydrophobicContact CE-CZ3 4.37Å; M47-W52 HydrophobicContact SD-CD2 4.38Å |
| 48 | I | 87.4 | Confident | 83.5 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 123.8 | -179.8 | -52.1 | 178.1 | 0 | 0 | 0 | 107.5 | Y3 F4 H46 G50 R51 C53 L175 | Y3-I48 HydrophobicContact CD1-CD1 3.71Å; Y3-I48 HydrophobicContact CD1-CG1 3.73Å; Y3-I48 HydrophobicContact CD2-CG1 4.46Å; Y3-I48 HydrophobicContact CE1-CD1 4.06Å; Y3-I48 HydrophobicContact CE1-CG1 3.92Å; Y3-I48 HydrophobicContact CG-CD1 4.35Å; Y3-I48 HydrophobicContact CG-CG1 4.02Å; F4-I48 HydrophobicContact CD2-CD1 4.48Å; F4-I48 HydrophobicContact CE2-CD1 3.57Å; F4-I48 HydrophobicContact CZ-CD1 3.68Å; H46-I48 HydrophobicContact CB-CD1 4.45Å; H46-I48 HydrophobicContact CB-CG1 4.34Å; I48-G50 PolarHBondContact O-N 3.38Å; I48-G50 VanDerWaalsContact O-N 3.15Å; I48-R51 PolarHBondContact N-O 3.28Å; I48-R51 PolarHBondContact O-N 3.29Å; I48-C53 HydrophobicContact CD1-CB 4.28Å; I48-L175 HydrophobicContact CD1-CD2 4.46Å |
| 49 | D | 84.9 | Confident | 82.5 | Confident | 169 Ų | 169 | 75.9 Ų | 75.9 | 90% | 0.904 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 38.9 | -179.2 | -57.2 | -24.9 | 0 | 0 | 0 | 113.7 | R51 | D49-R51 VanDerWaalsContact C-N 3.28Å; D49-R51 PolarHBondContact O-N 2.76Å |
| 50 | G | 84.2 | Confident | 81.3 | Confident | 71 Ų | 71 | 76.7 Ų | 76.7 | 73% | 0.732 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76 | 11.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I48 | I48-G50 PolarHBondContact O-N 3.38Å; I48-G50 VanDerWaalsContact O-N 3.15Å |
| 51 | R | 84.5 | Confident | 79.5 | Confident | 157 Ų | 157 | 76.1 Ų | 76.1 | 59% | 0.592 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 133.2 | 179.4 | -163.4 | 167.6 | 163.5 | 105.1 | -0.2 | 112.3 | M47 I48 D49 C53 L175 | M47-R51 VanDerWaalsContact SD-C 3.5Å; M47-R51 PolarHBondContact SD-N 3.07Å; I48-R51 PolarHBondContact N-O 3.28Å; I48-R51 PolarHBondContact O-N 3.29Å; D49-R51 VanDerWaalsContact C-N 3.28Å; D49-R51 PolarHBondContact O-N 2.76Å; R51-C53 PolarHBondContact O-N 3.15Å; R51-C53 PolarHBondContact O-SG 2.91Å; R51-L175 WeakPolarHBondContact CD-OXT 3.48Å; R51-L175 VanDerWaalsContact CG-OXT 3.24Å; R51-L175 WeakPolarHBondContact CG-OXT 3.45Å; R51-L175 PolarHBondContact NE-O 3.24Å; R51-L175 PolarHBondContact NE-OXT 3.24Å; R51-L175 PolarHBondContact NH2-O 3.34Å |
| 52 | W | 84.6 | Confident | 77.4 | Confident | 141 Ų | 141 | 78.8 Ų | 78.8 | 53% | 0.534 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.4 | 175.2 | -74.4 | 113.1 | 0 | 0 | 0 | 111.1 | R45 H46 M47 | R45-W52 HydrophobicContact CB-CE3 3.95Å; R45-W52 HydrophobicContact CB-CZ3 4.17Å; H46-W52 CarbonylContact O-C 3.52Å; H46-W52 WeakPolarHBondContact O-CA 3.31Å; M47-W52 HydrophobicContact CB-CE3 4.32Å; M47-W52 HydrophobicContact CB-CZ3 4.19Å; M47-W52 HydrophobicContact CE-CD2 3.55Å; M47-W52 HydrophobicContact CE-CE3 4.13Å; M47-W52 HydrophobicContact CE-CG 3.95Å; M47-W52 HydrophobicContact CE-CH2 4.09Å; M47-W52 HydrophobicContact CE-CZ2 3.51Å; M47-W52 HydrophobicContact CE-CZ3 4.37Å; M47-W52 HydrophobicContact SD-CD2 4.38Å |
| 53 | C | 85.1 | Confident | 75.5 | Confident | 1 Ų | 1 | 79 Ų | 79 | 1% | 0.007 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 142.4 | -176.3 | -55.2 | 0 | 0 | 0 | 0 | 110.9 | H46 I48 R51 V173 V174 L175 | H46-C53 HydrophobicContact CB-CB 4.36Å; H46-C53 PolarHBondContact N-O 3.21Å; H46-C53 PolarHBondContact O-N 2.8Å; I48-C53 HydrophobicContact CD1-CB 4.28Å; R51-C53 PolarHBondContact O-N 3.15Å; R51-C53 PolarHBondContact O-SG 2.91Å; C53-V173 HydrophobicContact CB-CG1 4.02Å; C53-V174 WeakPolarHBondContact CA-O 3.48Å; C53-V174 VanDerWaalsContact CB-O 3.31Å; C53-V174 WeakPolarHBondContact CB-O 3.24Å; C53-L175 VanDerWaalsContact SG-CD2 3.55Å |
| 54 | D | 81.6 | Confident | 73.8 | Confident | 55 Ų | 55 | 81 Ų | 81 | 29% | 0.294 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 129.9 | 175.8 | -64.9 | -62.1 | 0 | 0 | 0 | 110.4 | R45 V174 | R45-D54 WeakPolarHBondContact CG-OD1 2.91Å; R45-D54 IonicContact CZ-OD1 3.88Å; R45-D54 IonicContact CZ-OD2 3.99Å; R45-D54 IonicContact NE-OD1 2.95Å; R45-D54 PolarHBondContact NE-OD1 2.77Å; R45-D54 IonicContact NE-OD2 3.75Å; R45-D54 IonicContact NH2-OD1 3.92Å; R45-D54 IonicContact NH2-OD2 3.34Å; R45-D54 PolarHBondContact NH2-OD2 2.88Å; D54-V174 PolarHBondContact N-O 3.41Å; D54-V174 PolarHBondContact O-N 3.33Å |
| 55 | C | 83.6 | Confident | 72.1 | Confident | 8 Ų | 8 | 84.1 Ų | 84.1 | 5% | 0.054 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 123 | 179 | -69.1 | 0 | 0 | 0 | 0 | 110.5 | V41 H46 L171 | V41-C55 HydrophobicContact CG1-CB 3.92Å; V41-C55 VanDerWaalsContact CG1-SG 3.55Å; H46-C55 PolarHBondContact CD2-SG 3.42Å; C55-L171 HydrophobicContact CB-CD1 4.22Å |
| 56 | K | 80.8 | Confident | 70.4 | Confident | 130 Ų | 130 | 81.5 Ų | 81.5 | 57% | 0.565 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -135 | 157 | -179 | -61.2 | -174.8 | -179.1 | -177.5 | 0 | 111.5 | L171 K172 | K56-L171 CarbonylContact O-C 3.37Å; K56-L171 WeakPolarHBondContact O-CA 3.41Å; K56-K172 PolarHBondContact N-O 2.84Å; K56-K172 PolarHBondContact O-N 3.13Å |
| 57 | L | 78.6 | Confident | 68.5 | Low | 51 Ų | 51 | 86 Ų | 86 | 27% | 0.267 | 46% | 0.463 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 128.7 | 169.5 | -72.5 | 173.4 | 0 | 0 | 0 | 110 | M42 R71 L171 | M42-L57 HydrophobicContact CE-CD1 4.41Å; M42-L57 HydrophobicContact CE-CG 3.85Å; M42-L57 HydrophobicContact SD-CD2 3.93Å; M42-L57 HydrophobicContact SD-CG 3.79Å; L57-R71 PolarHBondContact O-NH2 3.32Å; L57-L171 HydrophobicContact CD2-CD2 4.28Å |
| 58 | P | 69.9 | Low | 66.9 | Low | 23 Ų | 23 | 89.6 Ų | 89.6 | 15% | 0.149 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 144.1 | 174 | 28.8 | -33.3 | 0 | 0 | 0 | 108.1 | F29 S60 S170 K172 | F29-P58 HydrophobicContact CD1-CB 4.17Å; F29-P58 HydrophobicContact CE1-CB 3.84Å; P58-S60 PolarHBondContact O-N 2.88Å; P58-S170 WeakPolarHBondContact CD-O 3.48Å; P58-K172 HydrophobicContact CB-CB 4.35Å |
| 59 | N | 63.7 | Low | 65.8 | Low | 121 Ų | 121 | 92 Ų | 92 | 65% | 0.647 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -62 | 125.6 | 169.2 | -64.8 | -12.2 | 0 | 0 | 0 | 107.3 | K61 | N59-K61 PolarHBondContact O-N 3.34Š|
| 60 | S | 54.3 | Low | 65.5 | Low | 86 Ų | 86 | 85.9 Ų | 85.9 | 60% | 0.601 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -52 | 138.9 | 174.3 | -69.7 | 0 | 0 | 0 | 0 | 109 | P58 Q62 | P58-S60 PolarHBondContact O-N 2.88Å; S60-Q62 PolarHBondContact O-N 3.21Å |
| 61 | K | 47.9 | Very low | 65.6 | Low | 111 Ų | 111 | 84.5 Ų | 84.5 | 48% | 0.483 | 43% | 0.434 | S | S | . | . | trans | -65.3 | 100.1 | 176.7 | -68.8 | -175 | -176.3 | 127.3 | 0 | 108.4 | N59 V158 L160 | N59-K61 PolarHBondContact O-N 3.34Å; K61-V158 HydrophobicContact CD-CG2 4.43Å; K61-V158 PolarHBondContact NZ-O 3.16Å; K61-L160 HydrophobicContact CD-CD1 4.03Å; K61-L160 HydrophobicContact CG-CD1 4.07Å; K61-L160 VanDerWaalsContact NZ-CG 3.32Å | ||
| 62 | Q | 44.5 | Very low | 65.9 | Low | 56 Ų | 56 | 80.1 Ų | 80.1 | 26% | 0.262 | 42% | 0.419 | S | S | . | . | trans | -74.4 | 142.6 | 165.5 | -77.9 | 165 | -1.2 | 0 | 0 | 108.3 | S60 E66 P67 R69 D117 | S60-Q62 PolarHBondContact O-N 3.21Å; Q62-E66 HydrophobicContact CB-CB 4.13Å; Q62-P67 PolarHBondContact OE1-O 2.78Å; Q62-R69 PolarHBondContact NE2-O 2.91Å; Q62-D117 PolarHBondContact NE2-OD2 2.96Å | ||
| 63 | S | 44.8 | Very low | 66.3 | Low | 66 Ų | 66 | 73.5 Ų | 73.5 | 46% | 0.462 | 39% | 0.394 | S | S | . | . | trans | -54.8 | 154.2 | 172.7 | 44.6 | 0 | 0 | 0 | 0 | 110.2 | D65 E66 | S63-D65 PolarHBondContact O-N 3.38Å; S63-E66 PolarHBondContact O-N 3.22Å; S63-E66 WeakPolarHBondContact OG-CG 3.37Å | ||
| 64 | P | 47.8 | Very low | 66.8 | Low | 136 Ų | 136 | 76 Ų | 76 | 88% | 0.883 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -23.9 | -178.9 | -24.1 | 33.2 | 0 | 0 | 0 | 114.9 | ||
| 65 | D | 45.4 | Very low | 67.5 | Low | 155 Ų | 155 | 73.4 Ų | 73.4 | 83% | 0.829 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -4.4 | -177.8 | -73.8 | -50.7 | 0 | 0 | 0 | 114.6 | S63 | S63-D65 PolarHBondContact O-N 3.38Š|
| 66 | E | 47.7 | Very low | 68 | Low | 74 Ų | 74 | 73.2 Ų | 73.2 | 35% | 0.346 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -91.6 | 124.8 | 177.4 | -78 | -75.6 | -156.3 | 0 | 0 | 109.9 | Q62 S63 R69 | Q62-E66 HydrophobicContact CB-CB 4.13Å; S63-E66 PolarHBondContact O-N 3.22Å; S63-E66 WeakPolarHBondContact OG-CG 3.37Å; E66-R69 IonicContact OE1-CZ 3.58Å; E66-R69 VanDerWaalsContact OE1-CZ 3.31Å; E66-R69 IonicContact OE1-NH1 2.94Å; E66-R69 PolarHBondContact OE1-NH1 3.48Å; E66-R69 IonicContact OE1-NH2 3.31Å; E66-R69 PolarHBondContact OE1-NH2 3.33Å; E66-R69 IonicContact OE2-CZ 3.63Å; E66-R69 IonicContact OE2-NE 3.39Å; E66-R69 IonicContact OE2-NH1 2.74Å; E66-R69 PolarHBondContact OE2-NH1 2.84Å; E66-R69 IonicContact OE2-NH2 3.13Å; E66-R69 PolarHBondContact OE2-NH2 2.79Å |
| 67 | P | 49 | Very low | 68.7 | Low | 94 Ų | 94 | 73.8 Ų | 73.8 | 61% | 0.61 | 39% | 0.389 | S | S | * | . | trans | -49.1 | 147.8 | 172 | -22.6 | 31.2 | 0 | 0 | 0 | 109.5 | Q62 R69 | Q62-P67 PolarHBondContact OE1-O 2.78Å; P67-R69 VanDerWaalsContact C-N 3.34Å; P67-R69 WeakPolarHBondContact O-CG 3.34Å; P67-R69 PolarHBondContact O-N 3.29Å | ||
| 68 | L | 53.8 | Low | 69.4 | Low | 151 Ų | 151 | 71.7 Ų | 71.7 | 79% | 0.791 | 38% | 0.379 | S | S | * | . | trans | -62.2 | 93.7 | -179.5 | -164 | 82.7 | 0 | 0 | 0 | 109.6 | S70 | L68-S70 PolarHBondContact O-N 3.06Š| ||
| 69 | R | 65.9 | Low | 70.6 | Confident | 75 Ų | 75 | 72.8 Ų | 72.8 | 28% | 0.283 | 39% | 0.385 | S | S | . | . | trans | -84.7 | 103.9 | -173.6 | -36.1 | -163.8 | -74.9 | -141.4 | -31.7 | 108.4 | Q62 E66 P67 D117 Q121 | Q62-R69 PolarHBondContact NE2-O 2.91Å; E66-R69 IonicContact OE1-CZ 3.58Å; E66-R69 VanDerWaalsContact OE1-CZ 3.31Å; E66-R69 IonicContact OE1-NH1 2.94Å; E66-R69 PolarHBondContact OE1-NH1 3.48Å; E66-R69 IonicContact OE1-NH2 3.31Å; E66-R69 PolarHBondContact OE1-NH2 3.33Å; E66-R69 IonicContact OE2-CZ 3.63Å; E66-R69 IonicContact OE2-NE 3.39Å; E66-R69 IonicContact OE2-NH1 2.74Å; E66-R69 PolarHBondContact OE2-NH1 2.84Å; E66-R69 IonicContact OE2-NH2 3.13Å; E66-R69 PolarHBondContact OE2-NH2 2.79Å; P67-R69 VanDerWaalsContact C-N 3.34Å; P67-R69 WeakPolarHBondContact O-CG 3.34Å; P67-R69 PolarHBondContact O-N 3.29Å; R69-D117 HydrophobicContact CB-CB 4.31Å; R69-D117 IonicContact NE-OD2 2.76Å; R69-Q121 HydrophobicContact CB-CG 4.11Å | ||
| 70 | S | 78 | Confident | 71.9 | Confident | 42 Ų | 42 | 73.2 Ų | 73.2 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | trans | -73.6 | 131.7 | -179.2 | 177.6 | 0 | 0 | 0 | 0 | 109.8 | L68 K72 A120 | L68-S70 PolarHBondContact O-N 3.06Å; S70-K72 PolarHBondContact O-N 3.5Å; S70-K72 WeakPolarHBondContact OG-CA 3.21Å; S70-K72 WeakPolarHBondContact OG-CB 3.37Å; S70-K72 PolarHBondContact OG-N 2.99Å; S70-K72 PolarHBondContact OG-O 2.7Å; S70-A120 WeakPolarHBondContact O-CB 3.5Å | ||
| 71 | R | 87.1 | Confident | 73.6 | Confident | 42 Ų | 42 | 75 Ų | 75 | 16% | 0.158 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -69.7 | -12 | 165.3 | -72.1 | -177.7 | -68.2 | 159.6 | -0.6 | 113.1 | L57 T113 F114 A115 D117 | L57-R71 PolarHBondContact O-NH2 3.32Å; R71-T113 HydrophobicContact CB-CG2 4.33Å; R71-T113 WeakPolarHBondContact O-CA 3.28Å; R71-F114 WeakPolarHBondContact CB-O 3.46Å; R71-F114 PolarHBondContact O-N 3.27Å; R71-A115 VanDerWaalsContact CD-O 3.24Å; R71-A115 WeakPolarHBondContact CD-O 3.46Å; R71-D117 HydrophobicContact CG-CB 3.75Å |
| 72 | K | 90.1 | Very high | 75.8 | Confident | 64 Ų | 64 | 69.9 Ų | 69.9 | 28% | 0.278 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 128.2 | -178.8 | -172.1 | -174.7 | -73.4 | -74.4 | 0 | 109.9 | S70 D99 F111 V112 T113 A140 | S70-K72 PolarHBondContact O-N 3.5Å; S70-K72 WeakPolarHBondContact OG-CA 3.21Å; S70-K72 WeakPolarHBondContact OG-CB 3.37Å; S70-K72 PolarHBondContact OG-N 2.99Å; S70-K72 PolarHBondContact OG-O 2.7Å; K72-D99 IonicContact NZ-OD2 3.78Å; K72-F111 HydrophobicContact CD-CB 4.14Å; K72-F111 HydrophobicContact CD-CD1 4.01Å; K72-F111 HydrophobicContact CD-CG 4.29Å; K72-F111 HydrophobicContact CG-CB 4.15Å; K72-F111 HydrophobicContact CG-CD1 4.26Å; K72-V112 CarbonylContact C-O 3.56Å; K72-V112 VanDerWaalsContact CA-O 3.27Å; K72-V112 WeakPolarHBondContact CA-O 3.31Å; K72-T113 HydrophobicContact CB-CG2 4.43Å; K72-T113 PolarHBondContact NZ-OG1 3.11Å; K72-A140 HydrophobicContact CB-CB 3.93Å; K72-A140 HydrophobicContact CD-CB 3.81Å; K72-A140 HydrophobicContact CG-CB 3.59Å; K72-A140 WeakPolarHBondContact O-CB 3.47Å; K72-A140 PolarHBondContact O-N 3.44Å |
| 73 | V | 93.2 | Very high | 78.2 | Confident | 2 Ų | 2 | 70 Ų | 70 | 1% | 0.012 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 148 | 171.8 | -60.6 | 0 | 0 | 0 | 0 | 110.4 | V75 F111 V112 F114 A120 I137 | V73-V75 HydrophobicContact CG2-CG2 4.31Å; V73-F111 WeakPolarHBondContact O-CA 3.35Å; V73-V112 HydrophobicContact CG2-CB 3.86Å; V73-V112 PolarHBondContact N-O 2.81Å; V73-V112 PolarHBondContact O-N 2.94Å; V73-V112 VanDerWaalsContact O-N 3.07Å; V73-F114 HydrophobicContact CG1-CE2 4.48Å; V73-F114 HydrophobicContact CG2-CE2 3.94Å; V73-A120 HydrophobicContact CG1-CB 3.74Å; V73-A120 WeakPolarHBondContact CG1-O 3.44Å; V73-I137 HydrophobicContact CB-CG2 3.78Å; V73-I137 HydrophobicContact CG1-CG2 4.09Å; V73-I137 HydrophobicContact CG2-CG2 4.11Å |
| 74 | F | 94.9 | Very high | 80.4 | Confident | 54 Ų | 54 | 68.2 Ų | 68.2 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.2 | 166.9 | 171.8 | -88.7 | 0 | 0 | 0 | 108.4 | F109 F111 I137 S138 | F74-F109 HydrophobicContact CD2-CB 4.27Å; F74-F109 AromaticContact CD2-CD2 3.93Å; F74-F109 HydrophobicContact CD2-CD2 3.93Å; F74-F109 HydrophobicContact CD2-CG 4.26Å; F74-F109 HydrophobicContact CE1-CB 4.3Å; F74-F109 HydrophobicContact CE2-CB 3.4Å; F74-F109 VanDerWaalsContact CE2-CB 3.4Å; F74-F109 AromaticContact CE2-CD1 3.98Å; F74-F109 HydrophobicContact CE2-CD1 3.98Å; F74-F109 AromaticContact CE2-CD2 3.41Å; F74-F109 HydrophobicContact CE2-CD2 3.41Å; F74-F109 VanDerWaalsContact CE2-CD2 3.41Å; F74-F109 HydrophobicContact CE2-CE2 4.09Å; F74-F109 AromaticContact CE2-CG 3.35Å; F74-F109 HydrophobicContact CE2-CG 3.35Å; F74-F109 HydrophobicContact CZ-CB 3.41Å; F74-F109 VanDerWaalsContact CZ-CB 3.41Å; F74-F109 HydrophobicContact CZ-CD1 4.29Å; F74-F109 HydrophobicContact CZ-CD2 4.3Å; F74-F109 AromaticContact CZ-CG 3.8Å; F74-F109 HydrophobicContact CZ-CG 3.8Å; F74-F111 HydrophobicContact CB-CD1 4.39Å; F74-F111 HydrophobicContact CB-CE1 4.29Å; F74-F111 HydrophobicContact CD2-CD1 4.48Å; F74-F111 AromaticContact CD2-CE1 3.91Å; F74-F111 HydrophobicContact CD2-CE1 3.91Å; F74-F111 HydrophobicContact CD2-CZ 4.27Å; F74-I137 WeakPolarHBondContact O-CA 3.14Å; F74-S138 VanDerWaalsContact CD1-OG 3.29Å; F74-S138 WeakPolarHBondContact CD1-OG 3.24Å; F74-S138 PolarHBondContact N-O 3.36Å; F74-S138 PolarHBondContact O-N 2.98Å |
| 75 | V | 96.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 100.6 | 177.4 | -172.1 | 0 | 0 | 0 | 0 | 107.2 | V73 C78 F91 F109 A110 V112 V135 I137 | V73-V75 HydrophobicContact CG2-CG2 4.31Å; V75-C78 PolarHBondContact O-SG 3.35Å; V75-F91 HydrophobicContact CG1-CE2 4.35Å; V75-F91 HydrophobicContact CG1-CZ 4.21Å; V75-F91 HydrophobicContact CG2-CE2 3.96Å; V75-F91 HydrophobicContact CG2-CZ 3.85Å; V75-F109 CarbonylContact O-C 3.55Å; V75-F109 WeakPolarHBondContact O-CA 3.42Å; V75-F109 VanDerWaalsContact O-CB 3.3Å; V75-F109 WeakPolarHBondContact O-CB 3.45Å; V75-A110 HydrophobicContact CB-CB 4.35Å; V75-A110 PolarHBondContact N-O 3.16Å; V75-A110 PolarHBondContact O-N 3.37Å; V75-V112 HydrophobicContact CG2-CB 4.43Å; V75-V112 HydrophobicContact CG2-CG2 3.79Å; V75-V135 HydrophobicContact CG1-CB 3.95Å; V75-V135 HydrophobicContact CG1-CG1 4.45Å; V75-V135 HydrophobicContact CG1-CG2 4Å; V75-I137 HydrophobicContact CB-CD1 4.25Å; V75-I137 HydrophobicContact CG1-CD1 3.86Å; V75-I137 HydrophobicContact CG2-CD1 3.96Å |
| 76 | G | 95.1 | Very high | 84.9 | Confident | 5 Ų | 5 | 62.6 Ų | 62.6 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 166.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113 | C78 V135 H136 | G76-C78 PolarHBondContact O-N 3.2Å; G76-V135 WeakPolarHBondContact O-CA 3.31Å; G76-V135 WeakPolarHBondContact O-CB 3.15Å; G76-H136 PolarHBondContact N-O 2.96Å; G76-H136 PolarHBondContact O-N 3.45Å; G76-H136 VanDerWaalsContact O-N 3.09Å |
| 77 | R | 95.4 | Very high | 87.1 | Confident | 141 Ų | 141 | 59 Ų | 59 | 53% | 0.532 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 60 | 28.7 | -179.9 | -46.7 | -179.8 | -168.6 | 140.2 | 5.9 | 113.2 | A108 D127 | R77-A108 PolarHBondContact N-O 2.88Å; R77-D127 IonicContact CZ-OD1 2.91Å; R77-D127 IonicContact NH1-OD1 2.78Å; R77-D127 PolarHBondContact NH1-OD1 3.45Å |
| 78 | C | 93.6 | Very high | 89.3 | Confident | 8 Ų | 8 | 58.5 Ų | 58.5 | 5% | 0.054 | 29% | 0.288 | C | S | . | . | trans | -66.9 | 149.8 | 171.2 | -64.4 | 0 | 0 | 0 | 0 | 109.9 | V75 G76 M82 F106 A108 | V75-C78 PolarHBondContact O-SG 3.35Å; G76-C78 PolarHBondContact O-N 3.2Å; C78-M82 HydrophobicContact CB-SD 4.1Å; C78-F106 HydrophobicContact CB-CE2 4.46Å; C78-F106 HydrophobicContact CB-CZ 4.29Å; C78-F106 WeakPolarHBondContact O-CZ 3.47Å; C78-A108 PolarHBondContact N-O 2.95Å; C78-A108 WeakPolarHBondContact O-CA 3.41Å | ||
| 79 | T | 93.8 | Very high | 91.2 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.282 | 28% | 0.284 | S | S | . | . | trans | -96.7 | 159.9 | 167.3 | 58.1 | 0 | 0 | 0 | 0 | 110.6 | D81 M82 F106 I133 | T79-D81 PolarHBondContact O-N 2.85Å; T79-M82 WeakPolarHBondContact O-CB 3.48Å; T79-M82 PolarHBondContact O-N 3.25Å; T79-M82 VanDerWaalsContact O-N 3.16Å; T79-F106 VanDerWaalsContact O-CZ 3.3Å; T79-F106 WeakPolarHBondContact O-CZ 3.3Å; T79-I133 HydrophobicContact CG2-CD1 4.49Å; T79-I133 HydrophobicContact CG2-CG1 4.15Å; T79-I133 HydrophobicContact CG2-CG2 4.21Å | ||
| 80 | E | 91.1 | Very high | 92.7 | Very high | 130 Ų | 130 | 57.1 Ų | 57.1 | 61% | 0.607 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.5 | -177.6 | -170.9 | 163.6 | -143 | 0 | 0 | 112.5 | M82 F106 | E80-M82 PolarHBondContact O-N 3.18Å; E80-F106 HydrophobicContact CB-CD1 3.82Å; E80-F106 HydrophobicContact CB-CE1 3.82Å; E80-F106 HydrophobicContact CB-CG 4.23Å; E80-F106 HydrophobicContact CB-CZ 4.22Å; E80-F106 HydrophobicContact CG-CB 4.41Å; E80-F106 HydrophobicContact CG-CD1 4.14Å; E80-F106 HydrophobicContact CG-CG 4.12Å; E80-F106 VanDerWaalsContact N-CZ 3.31Å |
| 81 | D | 90.3 | Very high | 93.5 | Very high | 123 Ų | 123 | 55.1 Ų | 55.1 | 66% | 0.658 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -5.9 | 176.7 | -54.3 | -49.1 | 0 | 0 | 0 | 114.1 | T79 T83 K131 | T79-D81 PolarHBondContact O-N 2.85Å; D81-T83 PolarHBondContact O-N 3.07Å; D81-K131 PolarHBondContact O-NZ 3.22Å |
| 82 | M | 93.6 | Very high | 93.8 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.02 | 28% | 0.28 | C | S | . | . | trans | -83.5 | 111.7 | 175.6 | -70.1 | 178.4 | 177.6 | 0 | 0 | 109.9 | C78 T79 E80 E86 L87 I102 I130 I133 V135 | C78-M82 HydrophobicContact CB-SD 4.1Å; T79-M82 WeakPolarHBondContact O-CB 3.48Å; T79-M82 PolarHBondContact O-N 3.25Å; T79-M82 VanDerWaalsContact O-N 3.16Å; E80-M82 PolarHBondContact O-N 3.18Å; M82-E86 WeakPolarHBondContact CA-OE2 3.35Å; M82-L87 HydrophobicContact SD-CD2 4.49Å; M82-I102 VanDerWaalsContact O-CD1 3.25Å; M82-I102 WeakPolarHBondContact O-CD1 3.46Å; M82-I130 HydrophobicContact CE-CB 3.85Å; M82-I130 HydrophobicContact CE-CG2 4.01Å; M82-I130 WeakPolarHBondContact CE-O 3.4Å; M82-I130 HydrophobicContact SD-CG2 4.43Å; M82-I133 HydrophobicContact CE-CB 3.69Å; M82-I133 HydrophobicContact CE-CG1 4.13Å; M82-I133 HydrophobicContact CE-CG2 4.06Å; M82-V135 HydrophobicContact CE-CG1 3.99Å; M82-V135 HydrophobicContact SD-CG1 4.11Å | ||
| 83 | T | 94.6 | Very high | 94 | Very high | 58 Ų | 58 | 59 Ų | 59 | 36% | 0.356 | 29% | 0.294 | S | S | . | . | trans | -86.4 | 163.9 | -180 | 87 | 0 | 0 | 0 | 0 | 112.3 | D81 E85 E86 L87 | D81-T83 PolarHBondContact O-N 3.07Å; T83-E85 WeakPolarHBondContact CB-OE2 3.46Å; T83-E85 PolarHBondContact O-N 3.17Å; T83-E85 PolarHBondContact OG1-N 2.74Å; T83-E85 PolarHBondContact OG1-OE2 2.86Å; T83-E86 PolarHBondContact N-OE2 2.84Å; T83-E86 PolarHBondContact O-N 3.44Å; T83-E86 PolarHBondContact OG1-N 3.31Å; T83-L87 WeakPolarHBondContact O-CG 3.3Å; T83-L87 PolarHBondContact O-N 2.79Å | ||
| 84 | A | 92.1 | Very high | 94 | Very high | 29 Ų | 29 | 63.1 Ų | 63.1 | 24% | 0.24 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.4 | -36.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q88 V100 I102 | A84-Q88 VanDerWaalsContact O-CB 3.31Å; A84-Q88 WeakPolarHBondContact O-CB 3.12Å; A84-Q88 PolarHBondContact O-N 3.3Å; A84-V100 HydrophobicContact CB-CB 4.29Å; A84-V100 HydrophobicContact CB-CG1 4Å; A84-I102 HydrophobicContact CB-CD1 4.29Å |
| 85 | E | 92.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -66.7 | -43 | 177.7 | -57.6 | 71.8 | -155.3 | 0 | 0 | 111.2 | T83 Q88 Q89 | T83-E85 WeakPolarHBondContact CB-OE2 3.46Å; T83-E85 PolarHBondContact O-N 3.17Å; T83-E85 PolarHBondContact OG1-N 2.74Å; T83-E85 PolarHBondContact OG1-OE2 2.86Å; E85-Q88 PolarHBondContact O-N 3Å; E85-Q89 WeakPolarHBondContact O-CB 3.29Å; E85-Q89 VanDerWaalsContact O-CG 3.32Å; E85-Q89 WeakPolarHBondContact O-CG 3.23Å; E85-Q89 PolarHBondContact O-N 3.08Å |
| 86 | E | 94.1 | Very high | 93.4 | Very high | 61 Ų | 61 | 67.6 Ų | 67.6 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 176.6 | -70 | -176.3 | 158.9 | 0 | 0 | 111.4 | M82 T83 Q88 Q89 F90 K131 | M82-E86 WeakPolarHBondContact CA-OE2 3.35Å; T83-E86 PolarHBondContact N-OE2 2.84Å; T83-E86 PolarHBondContact O-N 3.44Å; T83-E86 PolarHBondContact OG1-N 3.31Å; E86-Q88 VanDerWaalsContact C-N 3.34Å; E86-Q89 PolarHBondContact O-N 3.32Å; E86-F90 WeakPolarHBondContact O-CB 3.27Å; E86-F90 PolarHBondContact O-N 3.42Å; E86-K131 IonicContact OE1-NZ 3.78Å; E86-K131 PolarHBondContact OE1-NZ 3.2Å; E86-K131 WeakPolarHBondContact OE2-CD 3.2Å; E86-K131 IonicContact OE2-NZ 3.29Å; E86-K131 PolarHBondContact OE2-NZ 3Å |
| 87 | L | 95.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 175.2 | -67.9 | 176.3 | 0 | 0 | 0 | 110.7 | M82 T83 F90 F91 V100 I102 A110 I130 | M82-L87 HydrophobicContact SD-CD2 4.49Å; T83-L87 WeakPolarHBondContact O-CG 3.3Å; T83-L87 PolarHBondContact O-N 2.79Å; L87-F90 PolarHBondContact O-N 3.26Å; L87-F91 HydrophobicContact CB-CD2 4.4Å; L87-F91 HydrophobicContact CD2-CE2 4.16Å; L87-F91 WeakPolarHBondContact O-CB 3.24Å; L87-F91 WeakPolarHBondContact O-CD2 3.46Å; L87-F91 PolarHBondContact O-N 3.03Å; L87-V100 HydrophobicContact CB-CG1 3.94Å; L87-V100 HydrophobicContact CD1-CG1 4.01Å; L87-I102 HydrophobicContact CD1-CD1 3.98Å; L87-I102 HydrophobicContact CD1-CG1 4.18Å; L87-A110 HydrophobicContact CD1-CB 3.46Å; L87-A110 VanDerWaalsContact CD1-CB 3.46Å; L87-I130 HydrophobicContact CD2-CD1 3.76Å |
| 88 | Q | 93.9 | Very high | 92.7 | Very high | 83 Ų | 83 | 64.2 Ų | 64.2 | 39% | 0.388 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.9 | -50.7 | 177.3 | -173.4 | 173.8 | 34 | 0 | 0 | 111.3 | A84 E85 E86 F90 F91 C92 V97 V100 | A84-Q88 VanDerWaalsContact O-CB 3.31Å; A84-Q88 WeakPolarHBondContact O-CB 3.12Å; A84-Q88 PolarHBondContact O-N 3.3Å; E85-Q88 PolarHBondContact O-N 3Å; E86-Q88 VanDerWaalsContact C-N 3.34Å; Q88-F90 VanDerWaalsContact C-N 3.33Å; Q88-F90 PolarHBondContact O-N 3.38Å; Q88-F91 PolarHBondContact O-N 3.02Å; Q88-C92 WeakPolarHBondContact O-CB 3.41Å; Q88-C92 PolarHBondContact O-N 3.01Å; Q88-C92 PolarHBondContact O-SG 3.09Å; Q88-V97 HydrophobicContact CG-CB 4.14Å; Q88-V97 HydrophobicContact CG-CG1 4Å; Q88-V100 HydrophobicContact CB-CG2 3.85Å; Q88-V100 HydrophobicContact CG-CG2 4.42Å |
| 89 | Q | 95 | Very high | 92.4 | Very high | 150 Ų | 150 | 67.3 Ų | 67.3 | 70% | 0.701 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59 | -44.6 | 178.4 | -74.6 | 175.8 | 5.2 | 0 | 0 | 111.8 | E85 E86 | E85-Q89 WeakPolarHBondContact O-CB 3.29Å; E85-Q89 VanDerWaalsContact O-CG 3.32Å; E85-Q89 WeakPolarHBondContact O-CG 3.23Å; E85-Q89 PolarHBondContact O-N 3.08Å; E86-Q89 PolarHBondContact O-N 3.32Å |
| 90 | F | 96.1 | Very high | 92.3 | Very high | 47 Ų | 47 | 66.2 Ų | 66.2 | 21% | 0.206 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 177.9 | -178.7 | -93.5 | 0 | 0 | 0 | 111.8 | E86 L87 Q88 C92 Q93 Y94 L128 I129 I130 | E86-F90 WeakPolarHBondContact O-CB 3.27Å; E86-F90 PolarHBondContact O-N 3.42Å; L87-F90 PolarHBondContact O-N 3.26Å; Q88-F90 VanDerWaalsContact C-N 3.33Å; Q88-F90 PolarHBondContact O-N 3.38Å; F90-C92 VanDerWaalsContact C-N 3.34Å; F90-C92 PolarHBondContact O-N 2.77Å; F90-Q93 VanDerWaalsContact CE2-NE2 3.32Å; F90-Q93 VanDerWaalsContact O-CD 3.3Å; F90-Q93 WeakPolarHBondContact O-CG 3.32Å; F90-Q93 PolarHBondContact O-N 3.46Å; F90-Q93 PolarHBondContact O-NE2 3.16Å; F90-Y94 HydrophobicContact CD1-CE2 4.38Å; F90-Y94 AromaticContact CE1-CE2 3.87Å; F90-Y94 HydrophobicContact CE1-CE2 3.87Å; F90-Y94 HydrophobicContact CZ-CE2 4.39Å; F90-L128 HydrophobicContact CE1-CB 4.18Å; F90-L128 HydrophobicContact CE1-CD1 3.92Å; F90-L128 HydrophobicContact CZ-CB 4.23Å; F90-I129 WeakPolarHBondContact CE2-O 3.5Å; F90-I130 HydrophobicContact CD1-CD1 3.58Å; F90-I130 HydrophobicContact CD1-CG1 3.74Å; F90-I130 HydrophobicContact CD2-CG1 4.07Å; F90-I130 HydrophobicContact CE1-CD1 3.79Å; F90-I130 HydrophobicContact CE1-CG1 3.62Å; F90-I130 HydrophobicContact CE2-CG1 3.95Å; F90-I130 HydrophobicContact CG-CD1 4.04Å; F90-I130 HydrophobicContact CG-CG1 3.96Å; F90-I130 HydrophobicContact CZ-CD1 4.41Å; F90-I130 HydrophobicContact CZ-CG1 3.73Å |
| 91 | F | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -76.1 | -20.6 | -175.6 | -77.7 | -71.5 | 0 | 0 | 0 | 113.8 | V75 L87 Q88 Q93 Y94 V97 V112 F114 L123 L128 I130 I137 | V75-F91 HydrophobicContact CG1-CE2 4.35Å; V75-F91 HydrophobicContact CG1-CZ 4.21Å; V75-F91 HydrophobicContact CG2-CE2 3.96Å; V75-F91 HydrophobicContact CG2-CZ 3.85Å; L87-F91 HydrophobicContact CB-CD2 4.4Å; L87-F91 HydrophobicContact CD2-CE2 4.16Å; L87-F91 WeakPolarHBondContact O-CB 3.24Å; L87-F91 WeakPolarHBondContact O-CD2 3.46Å; L87-F91 PolarHBondContact O-N 3.03Å; Q88-F91 PolarHBondContact O-N 3.02Å; F91-Q93 PolarHBondContact O-N 3.42Å; F91-Q93 VanDerWaalsContact O-N 3.08Å; F91-Y94 HydrophobicContact CD1-CD2 4.02Å; F91-Y94 HydrophobicContact CD1-CE2 4.3Å; F91-Y94 PolarHBondContact O-N 3.14Å; F91-V97 HydrophobicContact CB-CG2 3.67Å; F91-V112 HydrophobicContact CB-CG1 4.08Å; F91-V112 HydrophobicContact CD2-CB 4.39Å; F91-V112 HydrophobicContact CD2-CG1 4.2Å; F91-V112 HydrophobicContact CD2-CG2 3.64Å; F91-V112 HydrophobicContact CE2-CG2 3.8Å; F91-V112 HydrophobicContact CG-CG1 4.12Å; F91-V112 HydrophobicContact CG-CG2 4.35Å; F91-F114 HydrophobicContact CB-CE1 4.08Å; F91-F114 HydrophobicContact CB-CZ 3.89Å; F91-F114 AromaticContact CD1-CZ 3.77Å; F91-F114 HydrophobicContact CD1-CZ 3.77Å; F91-F114 HydrophobicContact CG-CZ 4.12Å; F91-L123 HydrophobicContact CD1-CD1 4.1Å; F91-L123 HydrophobicContact CE1-CD1 4.27Å; F91-L128 HydrophobicContact CE1-CD1 3.63Å; F91-L128 HydrophobicContact CZ-CD1 4.2Å; F91-I130 HydrophobicContact CE2-CD1 4.09Å; F91-I130 HydrophobicContact CZ-CD1 4.32Å; F91-I137 HydrophobicContact CE1-CD1 3.97Å; F91-I137 HydrophobicContact CZ-CD1 3.65Å |
| 92 | C | 92.4 | Very high | 92.4 | Very high | 66 Ų | 66 | 60 Ų | 60 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -20.5 | 173.3 | -83.3 | 0 | 0 | 0 | 0 | 113.7 | Q88 F90 Y94 G95 | Q88-C92 WeakPolarHBondContact O-CB 3.41Å; Q88-C92 PolarHBondContact O-N 3.01Å; Q88-C92 PolarHBondContact O-SG 3.09Å; F90-C92 VanDerWaalsContact C-N 3.34Å; F90-C92 PolarHBondContact O-N 2.77Å; C92-Y94 PolarHBondContact O-N 3.07Å; C92-G95 WeakPolarHBondContact CA-O 2.89Å |
| 93 | Q | 94.4 | Very high | 92.2 | Very high | 122 Ų | 122 | 60.1 Ų | 60.1 | 57% | 0.57 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -23.1 | 174.7 | 79.8 | -168.1 | -55.4 | 0 | 0 | 113.5 | F90 F91 | F90-Q93 VanDerWaalsContact CE2-NE2 3.32Å; F90-Q93 VanDerWaalsContact O-CD 3.3Å; F90-Q93 WeakPolarHBondContact O-CG 3.32Å; F90-Q93 PolarHBondContact O-N 3.46Å; F90-Q93 PolarHBondContact O-NE2 3.16Å; F91-Q93 PolarHBondContact O-N 3.42Å; F91-Q93 VanDerWaalsContact O-N 3.08Å |
| 94 | Y | 93.5 | Very high | 91.8 | Very high | 88 Ų | 88 | 65 Ų | 65 | 35% | 0.345 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -24.9 | -179.6 | -56.9 | -76.2 | 0 | 0 | 0 | 112.8 | F90 F91 C92 V119 L123 L128 | F90-Y94 HydrophobicContact CD1-CE2 4.38Å; F90-Y94 AromaticContact CE1-CE2 3.87Å; F90-Y94 HydrophobicContact CE1-CE2 3.87Å; F90-Y94 HydrophobicContact CZ-CE2 4.39Å; F91-Y94 HydrophobicContact CD1-CD2 4.02Å; F91-Y94 HydrophobicContact CD1-CE2 4.3Å; F91-Y94 PolarHBondContact O-N 3.14Å; C92-Y94 PolarHBondContact O-N 3.07Å; Y94-V119 WeakPolarHBondContact O-CG1 3.22Å; Y94-L123 HydrophobicContact CD1-CD2 3.72Å; Y94-L123 HydrophobicContact CD2-CD1 4.14Å; Y94-L123 HydrophobicContact CD2-CD2 4.18Å; Y94-L123 HydrophobicContact CE1-CD2 3.89Å; Y94-L123 HydrophobicContact CE2-CD2 4.36Å; Y94-L123 HydrophobicContact CG-CD1 4.07Å; Y94-L123 HydrophobicContact CG-CD2 3.87Å; Y94-L123 HydrophobicContact CG-CG 4.48Å; Y94-L128 HydrophobicContact CE2-CD1 4.1Å |
| 95 | G | 90.4 | Very high | 91.8 | Very high | 20 Ų | 20 | 68.2 Ų | 68.2 | 21% | 0.206 | 34% | 0.341 | C | S | . | . | S | Bend | trans | 168.6 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | C92 V97 | C92-G95 WeakPolarHBondContact CA-O 2.89Å; G95-V97 PolarHBondContact O-N 3.37Å |
| 96 | E | 89.1 | Confident | 91.8 | Very high | 128 Ų | 128 | 65.4 Ų | 65.4 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | trans | -62.3 | 117.8 | -179 | -175.4 | -175.7 | 166.3 | 0 | 0 | 111.4 | F114 A115 | E96-F114 CarbonylContact O-C 3.58Å; E96-F114 WeakPolarHBondContact O-CA 3.37Å; E96-A115 HydrophobicContact CB-CB 3.87Å; E96-A115 HydrophobicContact CG-CB 4.16Å; E96-A115 PolarHBondContact O-N 3.39Å | ||
| 97 | V | 89.4 | Confident | 91.7 | Very high | 12 Ų | 12 | 69.9 Ų | 69.9 | 7% | 0.073 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 119.4 | 177.1 | 179 | 0 | 0 | 0 | 0 | 109.9 | Q88 F91 G95 V100 V112 F114 | Q88-V97 HydrophobicContact CG-CB 4.14Å; Q88-V97 HydrophobicContact CG-CG1 4Å; F91-V97 HydrophobicContact CB-CG2 3.67Å; G95-V97 PolarHBondContact O-N 3.37Å; V97-V100 HydrophobicContact CG1-CG2 3.69Å; V97-V112 HydrophobicContact CG1-CG1 3.89Å; V97-V112 HydrophobicContact CG2-CG1 4.23Å; V97-F114 HydrophobicContact CG2-CD1 4.17Å; V97-F114 HydrophobicContact CG2-CE1 3.86Å |
| 98 | V | 85.3 | Confident | 91.6 | Very high | 63 Ų | 63 | 72 Ų | 72 | 38% | 0.382 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -36.8 | -178.8 | 176.6 | 0 | 0 | 0 | 0 | 112 | T113 A115 | V98-T113 PolarHBondContact N-O 2.75Å; V98-A115 HydrophobicContact CG2-CB 3.96Å |
| 99 | D | 87.1 | Confident | 91.7 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 39% | 0.39 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.7 | 139.4 | -173.4 | 175.9 | 45.6 | 0 | 0 | 0 | 111.2 | K72 V112 T113 | K72-D99 IonicContact NZ-OD2 3.78Å; D99-V112 CarbonylContact O-C 3.55Å; D99-T113 PolarHBondContact N-O 2.89Å; D99-T113 PolarHBondContact O-N 2.84Å |
| 100 | V | 92.7 | Very high | 91.7 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 13% | 0.133 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 125.7 | 171.9 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | A84 L87 Q88 V97 F111 V112 | A84-V100 HydrophobicContact CB-CB 4.29Å; A84-V100 HydrophobicContact CB-CG1 4Å; L87-V100 HydrophobicContact CB-CG1 3.94Å; L87-V100 HydrophobicContact CD1-CG1 4.01Å; Q88-V100 HydrophobicContact CB-CG2 3.85Å; Q88-V100 HydrophobicContact CG-CG2 4.42Å; V97-V100 HydrophobicContact CG1-CG2 3.69Å; V100-F111 CarbonylContact C-O 3.51Å; V100-F111 WeakPolarHBondContact CA-O 3.25Å; V100-V112 HydrophobicContact CG1-CG2 4.44Å; V100-V112 HydrophobicContact CG2-CG2 4.32Å |
| 101 | F | 92.1 | Very high | 91.7 | Very high | 91 Ų | 91 | 61.3 Ų | 61.3 | 40% | 0.399 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 116.8 | -178.1 | 177.1 | -114.9 | 0 | 0 | 0 | 111.5 | P103 A110 F111 | F101-P103 HydrophobicContact CD1-CG 4.27Å; F101-P103 HydrophobicContact CE1-CB 4.23Å; F101-P103 HydrophobicContact CE1-CG 3.74Å; F101-P103 HydrophobicContact CZ-CB 4.32Å; F101-P103 HydrophobicContact CZ-CG 4.29Å; F101-A110 CarbonylContact O-C 3.58Å; F101-A110 WeakPolarHBondContact O-CA 3.16Å; F101-F111 HydrophobicContact CB-CB 4.46Å; F101-F111 AromaticContact CD1-CD2 3.74Å; F101-F111 HydrophobicContact CD1-CD2 3.74Å; F101-F111 HydrophobicContact CD1-CE2 4.28Å; F101-F111 HydrophobicContact CE1-CD2 4.44Å; F101-F111 PolarHBondContact N-O 3.21Å; F101-F111 PolarHBondContact O-N 3.28Å |
| 102 | I | 91.9 | Very high | 91.6 | Very high | 32 Ų | 32 | 61.3 Ų | 61.3 | 16% | 0.164 | 31% | 0.309 | C | S | . | . | trans | -107.1 | 110.9 | 172.9 | -54.1 | 178.4 | 0 | 0 | 0 | 107.9 | M82 A84 L87 F106 A110 | M82-I102 VanDerWaalsContact O-CD1 3.25Å; M82-I102 WeakPolarHBondContact O-CD1 3.46Å; A84-I102 HydrophobicContact CB-CD1 4.29Å; L87-I102 HydrophobicContact CD1-CD1 3.98Å; L87-I102 HydrophobicContact CD1-CG1 4.18Å; I102-F106 HydrophobicContact CG2-CD2 4.03Å; I102-F106 HydrophobicContact CG2-CE2 4.27Å; I102-A110 HydrophobicContact CG1-CB 3.89Å | ||
| 103 | P | 88.1 | Confident | 91.4 | Very high | 7 Ų | 7 | 59.1 Ų | 59.1 | 5% | 0.045 | 29% | 0.294 | C | S | . | . | trans | -60.1 | 145.3 | 179.2 | -21.7 | 31.5 | 0 | 0 | 0 | 113 | F101 P105 F109 F111 | F101-P103 HydrophobicContact CD1-CG 4.27Å; F101-P103 HydrophobicContact CE1-CB 4.23Å; F101-P103 HydrophobicContact CE1-CG 3.74Å; F101-P103 HydrophobicContact CZ-CB 4.32Å; F101-P103 HydrophobicContact CZ-CG 4.29Å; P103-P105 CarbonylContact C-O 3.54Å; P103-P105 CarbonylContact O-C 3.5Å; P103-F109 WeakPolarHBondContact CD-O 3.37Å; P103-F109 HydrophobicContact CG-CD2 4.12Å; P103-F109 HydrophobicContact CG-CE2 3.43Å; P103-F109 VanDerWaalsContact CG-CE2 3.43Å; P103-F109 HydrophobicContact CG-CZ 3.77Å; P103-F111 HydrophobicContact CG-CE2 4.4Å | ||
| 104 | K | 86.9 | Confident | 91.2 | Very high | 160 Ų | 160 | 53.4 Ų | 53.4 | 70% | 0.696 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -113.3 | 137.5 | 167.7 | -63.1 | -64.3 | -174.9 | 179.5 | 0 | 109.8 | ||
| 105 | P | 91.6 | Very high | 90.6 | Very high | 96 Ų | 96 | 51 Ų | 51 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | S | Bend | cis | -60.8 | 157.5 | -7.4 | 30.1 | -36.5 | 0 | 0 | 0 | 111.2 | P103 R107 | P103-P105 CarbonylContact C-O 3.54Å; P103-P105 CarbonylContact O-C 3.5Å; P105-R107 WeakPolarHBondContact O-CG 3.42Å |
| 106 | F | 91.8 | Very high | 90.1 | Very high | 52 Ų | 52 | 53.5 Ų | 53.5 | 23% | 0.228 | 27% | 0.274 | C | S | . | . | trans | -60.3 | 140.2 | -176.7 | -179.4 | -108.2 | 0 | 0 | 0 | 111.2 | C78 T79 E80 I102 A108 | C78-F106 HydrophobicContact CB-CE2 4.46Å; C78-F106 HydrophobicContact CB-CZ 4.29Å; C78-F106 WeakPolarHBondContact O-CZ 3.47Å; T79-F106 VanDerWaalsContact O-CZ 3.3Å; T79-F106 WeakPolarHBondContact O-CZ 3.3Å; E80-F106 HydrophobicContact CB-CD1 3.82Å; E80-F106 HydrophobicContact CB-CE1 3.82Å; E80-F106 HydrophobicContact CB-CG 4.23Å; E80-F106 HydrophobicContact CB-CZ 4.22Å; E80-F106 HydrophobicContact CG-CB 4.41Å; E80-F106 HydrophobicContact CG-CD1 4.14Å; E80-F106 HydrophobicContact CG-CG 4.12Å; E80-F106 VanDerWaalsContact N-CZ 3.31Å; I102-F106 HydrophobicContact CG2-CD2 4.03Å; I102-F106 HydrophobicContact CG2-CE2 4.27Å; F106-A108 HydrophobicContact CE1-CB 4.23Å; F106-A108 VanDerWaalsContact CZ-CA 3.43Å; F106-A108 HydrophobicContact CZ-CB 4.4Å | ||
| 107 | R | 92.3 | Very high | 89.8 | Confident | 156 Ų | 156 | 48.8 Ų | 48.8 | 59% | 0.589 | 25% | 0.254 | S | S | * | . | trans | -134.4 | 22.7 | -174.4 | -65.3 | -178.9 | -171.2 | -165.1 | -2 | 113.8 | P105 F109 | P105-R107 WeakPolarHBondContact O-CG 3.42Å; R107-F109 HydrophobicContact CB-CD1 3.63Å; R107-F109 HydrophobicContact CB-CE1 3.29Å; R107-F109 HydrophobicContact CB-CZ 4.19Å; R107-F109 HydrophobicContact CG-CE1 4.2Å; R107-F109 WeakPolarHBondContact O-CD1 3.37Å; R107-F109 PolarHBondContact O-N 2.86Å | ||
| 108 | A | 94.3 | Very high | 89.6 | Confident | 44 Ų | 44 | 55 Ų | 55 | 36% | 0.364 | 28% | 0.28 | S | S | . | . | S | Bend | trans | 60.4 | 26.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | R77 C78 F106 | R77-A108 PolarHBondContact N-O 2.88Å; C78-A108 PolarHBondContact N-O 2.95Å; C78-A108 WeakPolarHBondContact O-CA 3.41Å; F106-A108 HydrophobicContact CE1-CB 4.23Å; F106-A108 VanDerWaalsContact CZ-CA 3.43Å; F106-A108 HydrophobicContact CZ-CB 4.4Å |
| 109 | F | 95.4 | Very high | 89.8 | Confident | 36 Ų | 36 | 53 Ų | 53 | 16% | 0.158 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 161 | 173.2 | 70.5 | -96.2 | 0 | 0 | 0 | 113.1 | F74 V75 P103 R107 F111 | F74-F109 HydrophobicContact CD2-CB 4.27Å; F74-F109 AromaticContact CD2-CD2 3.93Å; F74-F109 HydrophobicContact CD2-CD2 3.93Å; F74-F109 HydrophobicContact CD2-CG 4.26Å; F74-F109 HydrophobicContact CE1-CB 4.3Å; F74-F109 HydrophobicContact CE2-CB 3.4Å; F74-F109 VanDerWaalsContact CE2-CB 3.4Å; F74-F109 AromaticContact CE2-CD1 3.98Å; F74-F109 HydrophobicContact CE2-CD1 3.98Å; F74-F109 AromaticContact CE2-CD2 3.41Å; F74-F109 HydrophobicContact CE2-CD2 3.41Å; F74-F109 VanDerWaalsContact CE2-CD2 3.41Å; F74-F109 HydrophobicContact CE2-CE2 4.09Å; F74-F109 AromaticContact CE2-CG 3.35Å; F74-F109 HydrophobicContact CE2-CG 3.35Å; F74-F109 HydrophobicContact CZ-CB 3.41Å; F74-F109 VanDerWaalsContact CZ-CB 3.41Å; F74-F109 HydrophobicContact CZ-CD1 4.29Å; F74-F109 HydrophobicContact CZ-CD2 4.3Å; F74-F109 AromaticContact CZ-CG 3.8Å; F74-F109 HydrophobicContact CZ-CG 3.8Å; V75-F109 CarbonylContact O-C 3.55Å; V75-F109 WeakPolarHBondContact O-CA 3.42Å; V75-F109 VanDerWaalsContact O-CB 3.3Å; V75-F109 WeakPolarHBondContact O-CB 3.45Å; P103-F109 WeakPolarHBondContact CD-O 3.37Å; P103-F109 HydrophobicContact CG-CD2 4.12Å; P103-F109 HydrophobicContact CG-CE2 3.43Å; P103-F109 VanDerWaalsContact CG-CE2 3.43Å; P103-F109 HydrophobicContact CG-CZ 3.77Å; R107-F109 HydrophobicContact CB-CD1 3.63Å; R107-F109 HydrophobicContact CB-CE1 3.29Å; R107-F109 HydrophobicContact CB-CZ 4.19Å; R107-F109 HydrophobicContact CG-CE1 4.2Å; R107-F109 WeakPolarHBondContact O-CD1 3.37Å; R107-F109 PolarHBondContact O-N 2.86Å; F109-F111 HydrophobicContact CD2-CD2 4.43Å; F109-F111 HydrophobicContact CD2-CE2 4.02Å; F109-F111 HydrophobicContact CD2-CZ 4.3Å; F109-F111 HydrophobicContact CE2-CD2 4.25Å; F109-F111 AromaticContact CE2-CE2 3.49Å; F109-F111 HydrophobicContact CE2-CE2 3.49Å; F109-F111 VanDerWaalsContact CE2-CE2 3.49Å; F109-F111 AromaticContact CE2-CZ 3.82Å; F109-F111 HydrophobicContact CE2-CZ 3.82Å |
| 110 | A | 95.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 170.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V75 L87 F101 I102 | V75-A110 HydrophobicContact CB-CB 4.35Å; V75-A110 PolarHBondContact N-O 3.16Å; V75-A110 PolarHBondContact O-N 3.37Å; L87-A110 HydrophobicContact CD1-CB 3.46Å; L87-A110 VanDerWaalsContact CD1-CB 3.46Å; F101-A110 CarbonylContact O-C 3.58Å; F101-A110 WeakPolarHBondContact O-CA 3.16Å; I102-A110 HydrophobicContact CG1-CB 3.89Å |
| 111 | F | 95.3 | Very high | 89.6 | Confident | 18 Ų | 18 | 51.8 Ų | 51.8 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 139.1 | 167.7 | -62.7 | -85.1 | 0 | 0 | 0 | 109.9 | K72 V73 F74 V100 F101 P103 F109 A140 | K72-F111 HydrophobicContact CD-CB 4.14Å; K72-F111 HydrophobicContact CD-CD1 4.01Å; K72-F111 HydrophobicContact CD-CG 4.29Å; K72-F111 HydrophobicContact CG-CB 4.15Å; K72-F111 HydrophobicContact CG-CD1 4.26Å; V73-F111 WeakPolarHBondContact O-CA 3.35Å; F74-F111 HydrophobicContact CB-CD1 4.39Å; F74-F111 HydrophobicContact CB-CE1 4.29Å; F74-F111 HydrophobicContact CD2-CD1 4.48Å; F74-F111 AromaticContact CD2-CE1 3.91Å; F74-F111 HydrophobicContact CD2-CE1 3.91Å; F74-F111 HydrophobicContact CD2-CZ 4.27Å; V100-F111 CarbonylContact C-O 3.51Å; V100-F111 WeakPolarHBondContact CA-O 3.25Å; F101-F111 HydrophobicContact CB-CB 4.46Å; F101-F111 AromaticContact CD1-CD2 3.74Å; F101-F111 HydrophobicContact CD1-CD2 3.74Å; F101-F111 HydrophobicContact CD1-CE2 4.28Å; F101-F111 HydrophobicContact CE1-CD2 4.44Å; F101-F111 PolarHBondContact N-O 3.21Å; F101-F111 PolarHBondContact O-N 3.28Å; P103-F111 HydrophobicContact CG-CE2 4.4Å; F109-F111 HydrophobicContact CD2-CD2 4.43Å; F109-F111 HydrophobicContact CD2-CE2 4.02Å; F109-F111 HydrophobicContact CD2-CZ 4.3Å; F109-F111 HydrophobicContact CE2-CD2 4.25Å; F109-F111 AromaticContact CE2-CE2 3.49Å; F109-F111 HydrophobicContact CE2-CE2 3.49Å; F109-F111 VanDerWaalsContact CE2-CE2 3.49Å; F109-F111 AromaticContact CE2-CZ 3.82Å; F109-F111 HydrophobicContact CE2-CZ 3.82Å; F111-A140 HydrophobicContact CD1-CB 3.82Å; F111-A140 HydrophobicContact CE1-CB 3.98Å |
| 112 | V | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 132.4 | 174.7 | 179 | 0 | 0 | 0 | 0 | 108.2 | K72 V73 V75 F91 V97 D99 V100 F114 | K72-V112 CarbonylContact C-O 3.56Å; K72-V112 VanDerWaalsContact CA-O 3.27Å; K72-V112 WeakPolarHBondContact CA-O 3.31Å; V73-V112 HydrophobicContact CG2-CB 3.86Å; V73-V112 PolarHBondContact N-O 2.81Å; V73-V112 PolarHBondContact O-N 2.94Å; V73-V112 VanDerWaalsContact O-N 3.07Å; V75-V112 HydrophobicContact CG2-CB 4.43Å; V75-V112 HydrophobicContact CG2-CG2 3.79Å; F91-V112 HydrophobicContact CB-CG1 4.08Å; F91-V112 HydrophobicContact CD2-CB 4.39Å; F91-V112 HydrophobicContact CD2-CG1 4.2Å; F91-V112 HydrophobicContact CD2-CG2 3.64Å; F91-V112 HydrophobicContact CE2-CG2 3.8Å; F91-V112 HydrophobicContact CG-CG1 4.12Å; F91-V112 HydrophobicContact CG-CG2 4.35Å; V97-V112 HydrophobicContact CG1-CG1 3.89Å; V97-V112 HydrophobicContact CG2-CG1 4.23Å; D99-V112 CarbonylContact O-C 3.55Å; V100-V112 HydrophobicContact CG1-CG2 4.44Å; V100-V112 HydrophobicContact CG2-CG2 4.32Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 HydrophobicContact CG1-CE1 4.47Å; V112-F114 HydrophobicContact CG1-CE2 3.91Å; V112-F114 HydrophobicContact CG1-CZ 3.95Å |
| 113 | T | 88.2 | Confident | 89.6 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 13% | 0.129 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 119.5 | 178.6 | -44.1 | 0 | 0 | 0 | 0 | 108.9 | R71 K72 V98 D99 | R71-T113 HydrophobicContact CB-CG2 4.33Å; R71-T113 WeakPolarHBondContact O-CA 3.28Å; K72-T113 HydrophobicContact CB-CG2 4.43Å; K72-T113 PolarHBondContact NZ-OG1 3.11Å; V98-T113 PolarHBondContact N-O 2.75Å; D99-T113 PolarHBondContact N-O 2.89Å; D99-T113 PolarHBondContact O-N 2.84Å |
| 114 | F | 89.3 | Confident | 89.7 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 161.4 | 176.4 | -68.6 | -81.6 | 0 | 0 | 0 | 112.1 | R71 V73 F91 E96 V97 V112 D116 V119 A120 L123 | R71-F114 WeakPolarHBondContact CB-O 3.46Å; R71-F114 PolarHBondContact O-N 3.27Å; V73-F114 HydrophobicContact CG1-CE2 4.48Å; V73-F114 HydrophobicContact CG2-CE2 3.94Å; F91-F114 HydrophobicContact CB-CE1 4.08Å; F91-F114 HydrophobicContact CB-CZ 3.89Å; F91-F114 AromaticContact CD1-CZ 3.77Å; F91-F114 HydrophobicContact CD1-CZ 3.77Å; F91-F114 HydrophobicContact CG-CZ 4.12Å; E96-F114 CarbonylContact O-C 3.58Å; E96-F114 WeakPolarHBondContact O-CA 3.37Å; V97-F114 HydrophobicContact CG2-CD1 4.17Å; V97-F114 HydrophobicContact CG2-CE1 3.86Å; V112-F114 HydrophobicContact CG1-CD2 4.4Å; V112-F114 HydrophobicContact CG1-CE1 4.47Å; V112-F114 HydrophobicContact CG1-CE2 3.91Å; V112-F114 HydrophobicContact CG1-CZ 3.95Å; F114-D116 WeakPolarHBondContact CB-O 3.44Å; F114-V119 HydrophobicContact CB-CB 4.48Å; F114-V119 HydrophobicContact CD1-CB 4.3Å; F114-V119 HydrophobicContact CD1-CG1 3.6Å; F114-V119 HydrophobicContact CD2-CG1 4.29Å; F114-V119 HydrophobicContact CE1-CG1 3.67Å; F114-V119 HydrophobicContact CE2-CG1 4.35Å; F114-V119 HydrophobicContact CG-CB 4.27Å; F114-V119 HydrophobicContact CG-CG1 3.92Å; F114-V119 HydrophobicContact CZ-CG1 4.04Å; F114-A120 HydrophobicContact CD2-CB 4.05Å; F114-L123 HydrophobicContact CE1-CD1 4.44Å; F114-L123 HydrophobicContact CE2-CD1 3.74Å; F114-L123 HydrophobicContact CZ-CD1 3.49Å; F114-L123 VanDerWaalsContact CZ-CD1 3.49Å |
| 115 | A | 81.1 | Confident | 89.8 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 31% | 0.314 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -68.8 | -38.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | R71 E96 V98 | R71-A115 VanDerWaalsContact CD-O 3.24Å; R71-A115 WeakPolarHBondContact CD-O 3.46Å; E96-A115 HydrophobicContact CB-CB 3.87Å; E96-A115 HydrophobicContact CG-CB 4.16Å; E96-A115 PolarHBondContact O-N 3.39Å; V98-A115 HydrophobicContact CG2-CB 3.96Å |
| 116 | D | 80.4 | Confident | 89.8 | Confident | 72 Ų | 72 | 46.7 Ų | 46.7 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | trans | -107.5 | 129.9 | -177.4 | -168 | -20.8 | 0 | 0 | 0 | 111.7 | F114 K118 V119 | F114-D116 WeakPolarHBondContact CB-O 3.44Å; D116-K118 VanDerWaalsContact C-N 3.26Å; D116-K118 PolarHBondContact O-N 2.93Å; D116-K118 WeakPolarHBondContact OD1-CB 3.42Å; D116-K118 WeakPolarHBondContact OD1-CG 3.35Å; D116-K118 PolarHBondContact OD1-N 3.39Å; D116-V119 HydrophobicContact CB-CG2 4.06Å; D116-V119 PolarHBondContact O-N 3.12Å | ||
| 117 | D | 81.6 | Confident | 90 | Very high | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.16 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.3 | -21.9 | 176.9 | 60.4 | -77.7 | 0 | 0 | 0 | 113.2 | Q62 R69 R71 A120 Q121 | Q62-D117 PolarHBondContact NE2-OD2 2.96Å; R69-D117 HydrophobicContact CB-CB 4.31Å; R69-D117 IonicContact NE-OD2 2.76Å; R71-D117 HydrophobicContact CG-CB 3.75Å; D117-A120 PolarHBondContact O-N 2.83Å; D117-Q121 VanDerWaalsContact O-CG 3.28Å; D117-Q121 WeakPolarHBondContact O-CG 3.26Å; D117-Q121 PolarHBondContact O-N 3.28Å; D117-Q121 PolarHBondContact O-NE2 3.32Å; D117-Q121 PolarHBondContact OD2-NE2 3.4Å |
| 118 | K | 85.1 | Confident | 90.1 | Very high | 143 Ų | 143 | 41.4 Ų | 41.4 | 62% | 0.622 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -68 | -37.9 | 176.6 | -64.6 | -179.8 | 179.2 | -178.3 | 0 | 111.8 | D116 Q121 S122 | D116-K118 VanDerWaalsContact C-N 3.26Å; D116-K118 PolarHBondContact O-N 2.93Å; D116-K118 WeakPolarHBondContact OD1-CB 3.42Å; D116-K118 WeakPolarHBondContact OD1-CG 3.35Å; D116-K118 PolarHBondContact OD1-N 3.39Å; K118-Q121 PolarHBondContact O-N 2.99Å; K118-S122 PolarHBondContact O-N 3.04Å; K118-S122 PolarHBondContact O-OG 2.83Å |
| 119 | V | 89.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 45 Ų | 45 | 13% | 0.127 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -45 | 175 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | Y94 F114 D116 Q121 S122 L123 | Y94-V119 WeakPolarHBondContact O-CG1 3.22Å; F114-V119 HydrophobicContact CB-CB 4.48Å; F114-V119 HydrophobicContact CD1-CB 4.3Å; F114-V119 HydrophobicContact CD1-CG1 3.6Å; F114-V119 HydrophobicContact CD2-CG1 4.29Å; F114-V119 HydrophobicContact CE1-CG1 3.67Å; F114-V119 HydrophobicContact CE2-CG1 4.35Å; F114-V119 HydrophobicContact CG-CB 4.27Å; F114-V119 HydrophobicContact CG-CG1 3.92Å; F114-V119 HydrophobicContact CZ-CG1 4.04Å; D116-V119 HydrophobicContact CB-CG2 4.06Å; D116-V119 PolarHBondContact O-N 3.12Å; V119-Q121 VanDerWaalsContact C-N 3.29Å; V119-Q121 PolarHBondContact O-N 3.32Å; V119-S122 PolarHBondContact O-N 2.84Å; V119-S122 PolarHBondContact O-OG 2.88Å; V119-L123 HydrophobicContact CG1-CD1 4.23Å; V119-L123 WeakPolarHBondContact O-CG 3.17Å; V119-L123 PolarHBondContact O-N 2.77Å |
| 120 | A | 88.6 | Confident | 90 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.9 | -39.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S70 V73 F114 D117 C124 | S70-A120 WeakPolarHBondContact O-CB 3.5Å; V73-A120 HydrophobicContact CG1-CB 3.74Å; V73-A120 WeakPolarHBondContact CG1-O 3.44Å; F114-A120 HydrophobicContact CD2-CB 4.05Å; D117-A120 PolarHBondContact O-N 2.83Å; A120-C124 PolarHBondContact O-N 2.8Å |
| 121 | Q | 87.9 | Confident | 89.7 | Confident | 65 Ų | 65 | 49.6 Ų | 49.6 | 30% | 0.304 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.7 | -44.9 | 176.2 | -75.7 | 163 | 61.9 | 0 | 0 | 113 | R69 D117 K118 V119 L123 C124 | R69-Q121 HydrophobicContact CB-CG 4.11Å; D117-Q121 VanDerWaalsContact O-CG 3.28Å; D117-Q121 WeakPolarHBondContact O-CG 3.26Å; D117-Q121 PolarHBondContact O-N 3.28Å; D117-Q121 PolarHBondContact O-NE2 3.32Å; D117-Q121 PolarHBondContact OD2-NE2 3.4Å; K118-Q121 PolarHBondContact O-N 2.99Å; V119-Q121 VanDerWaalsContact C-N 3.29Å; V119-Q121 PolarHBondContact O-N 3.32Å; Q121-L123 PolarHBondContact O-N 2.93Å; Q121-C124 WeakPolarHBondContact O-CB 3.33Å; Q121-C124 PolarHBondContact O-N 2.8Å |
| 122 | S | 91.1 | Very high | 89.5 | Confident | 83 Ų | 83 | 51.9 Ų | 51.9 | 58% | 0.58 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.9 | -23.8 | -177.6 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | K118 V119 | K118-S122 PolarHBondContact O-N 3.04Å; K118-S122 PolarHBondContact O-OG 2.83Å; V119-S122 PolarHBondContact O-N 2.84Å; V119-S122 PolarHBondContact O-OG 2.88Å |
| 123 | L | 93.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 55 Ų | 55 | 4% | 0.037 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -15.9 | 175.3 | -64.6 | 175.1 | 0 | 0 | 0 | 113 | F91 Y94 F114 V119 Q121 G125 E126 L128 I137 | F91-L123 HydrophobicContact CD1-CD1 4.1Å; F91-L123 HydrophobicContact CE1-CD1 4.27Å; Y94-L123 HydrophobicContact CD1-CD2 3.72Å; Y94-L123 HydrophobicContact CD2-CD1 4.14Å; Y94-L123 HydrophobicContact CD2-CD2 4.18Å; Y94-L123 HydrophobicContact CE1-CD2 3.89Å; Y94-L123 HydrophobicContact CE2-CD2 4.36Å; Y94-L123 HydrophobicContact CG-CD1 4.07Å; Y94-L123 HydrophobicContact CG-CD2 3.87Å; Y94-L123 HydrophobicContact CG-CG 4.48Å; F114-L123 HydrophobicContact CE1-CD1 4.44Å; F114-L123 HydrophobicContact CE2-CD1 3.74Å; F114-L123 HydrophobicContact CZ-CD1 3.49Å; F114-L123 VanDerWaalsContact CZ-CD1 3.49Å; V119-L123 HydrophobicContact CG1-CD1 4.23Å; V119-L123 WeakPolarHBondContact O-CG 3.17Å; V119-L123 PolarHBondContact O-N 2.77Å; Q121-L123 PolarHBondContact O-N 2.93Å; L123-G125 PolarHBondContact O-N 2.75Å; L123-E126 WeakPolarHBondContact O-CB 3.3Å; L123-E126 PolarHBondContact O-N 2.89Å; L123-L128 HydrophobicContact CD2-CD1 4.27Å; L123-I137 HydrophobicContact CB-CG2 4.05Å; L123-I137 WeakPolarHBondContact O-CB 3.48Å; L123-I137 VanDerWaalsContact O-CG2 3.31Å; L123-I137 WeakPolarHBondContact O-CG2 3.44Å |
| 124 | C | 89.4 | Confident | 89.8 | Confident | 39 Ų | 39 | 56.6 Ų | 56.6 | 26% | 0.264 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 126 | -174 | -171.1 | 0 | 0 | 0 | 0 | 111.2 | A120 Q121 N139 | A120-C124 PolarHBondContact O-N 2.8Å; Q121-C124 WeakPolarHBondContact O-CB 3.33Å; Q121-C124 PolarHBondContact O-N 2.8Å; C124-N139 VanDerWaalsContact SG-CG 3.51Å; C124-N139 PolarHBondContact SG-N 2.78Å; C124-N139 VanDerWaalsContact SG-N 3.38Å; C124-N139 PolarHBondContact SG-OD1 3.19Å |
| 125 | G | 88.1 | Confident | 90.1 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 47% | 0.474 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | -9.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L123 I137 | L123-G125 PolarHBondContact O-N 2.75Å; G125-I137 WeakPolarHBondContact CA-O 3.04Å; G125-I137 PolarHBondContact N-O 3.45Å |
| 126 | E | 92.7 | Very high | 90.8 | Very high | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | trans | -82.1 | 148.3 | -179.6 | -63.1 | -62.9 | 140.1 | 0 | 0 | 112.4 | L123 L128 I137 | L123-E126 WeakPolarHBondContact O-CB 3.3Å; L123-E126 PolarHBondContact O-N 2.89Å; E126-L128 HydrophobicContact CB-CD2 4.19Å; E126-I137 PolarHBondContact O-N 3.45Å | ||
| 127 | D | 94.9 | Very high | 91.5 | Very high | 80 Ų | 80 | 54 Ų | 54 | 43% | 0.428 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 117.1 | 166 | -72.1 | -81.4 | 0 | 0 | 0 | 108.9 | R77 V135 H136 | R77-D127 IonicContact CZ-OD1 2.91Å; R77-D127 IonicContact NH1-OD1 2.78Å; R77-D127 PolarHBondContact NH1-OD1 3.45Å; D127-V135 CarbonylContact C-O 3.54Å; D127-V135 WeakPolarHBondContact CA-O 3.42Å; D127-H136 IonicContact OD1-CG 3.86Å; D127-H136 IonicContact OD1-ND1 2.9Å; D127-H136 PolarHBondContact OD1-ND1 3.28Å; D127-H136 IonicContact OD2-ND1 3.73Å |
| 128 | L | 95.2 | Very high | 91.9 | Very high | 18 Ų | 18 | 54.2 Ų | 54.2 | 9% | 0.094 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 152 | -178.6 | -54.7 | -179.1 | 0 | 0 | 0 | 110.5 | F90 F91 Y94 L123 E126 S134 V135 I137 | F90-L128 HydrophobicContact CE1-CB 4.18Å; F90-L128 HydrophobicContact CE1-CD1 3.92Å; F90-L128 HydrophobicContact CZ-CB 4.23Å; F91-L128 HydrophobicContact CE1-CD1 3.63Å; F91-L128 HydrophobicContact CZ-CD1 4.2Å; Y94-L128 HydrophobicContact CE2-CD1 4.1Å; L123-L128 HydrophobicContact CD2-CD1 4.27Å; E126-L128 HydrophobicContact CB-CD2 4.19Å; L128-S134 CarbonylContact O-C 3.53Å; L128-S134 WeakPolarHBondContact O-CA 3.44Å; L128-V135 HydrophobicContact CB-CG2 3.94Å; L128-V135 PolarHBondContact N-O 3.38Å; L128-V135 WeakPolarHBondContact O-CG2 3.26Å; L128-V135 PolarHBondContact O-N 3.05Å; L128-I137 HydrophobicContact CD1-CD1 4.07Å; L128-I137 HydrophobicContact CD1-CG1 3.81Å; L128-I137 HydrophobicContact CG-CG1 3.99Å |
| 129 | I | 94.9 | Very high | 92.1 | Very high | 118 Ų | 118 | 52.3 Ų | 52.3 | 61% | 0.605 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 115.2 | 177.4 | -58.8 | 176.4 | 0 | 0 | 0 | 109.6 | F90 I133 | F90-I129 WeakPolarHBondContact CE2-O 3.5Å; I129-I133 CarbonylContact C-O 3.54Å; I129-I133 WeakPolarHBondContact CA-O 3.41Å |
| 130 | I | 92.8 | Very high | 91.7 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.036 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 119.3 | 175.6 | -54.2 | -177.9 | 0 | 0 | 0 | 107.8 | M82 L87 F90 F91 G132 I133 V135 | M82-I130 HydrophobicContact CE-CB 3.85Å; M82-I130 HydrophobicContact CE-CG2 4.01Å; M82-I130 WeakPolarHBondContact CE-O 3.4Å; M82-I130 HydrophobicContact SD-CG2 4.43Å; L87-I130 HydrophobicContact CD2-CD1 3.76Å; F90-I130 HydrophobicContact CD1-CD1 3.58Å; F90-I130 HydrophobicContact CD1-CG1 3.74Å; F90-I130 HydrophobicContact CD2-CG1 4.07Å; F90-I130 HydrophobicContact CE1-CD1 3.79Å; F90-I130 HydrophobicContact CE1-CG1 3.62Å; F90-I130 HydrophobicContact CE2-CG1 3.95Å; F90-I130 HydrophobicContact CG-CD1 4.04Å; F90-I130 HydrophobicContact CG-CG1 3.96Å; F90-I130 HydrophobicContact CZ-CD1 4.41Å; F90-I130 HydrophobicContact CZ-CG1 3.73Å; F91-I130 HydrophobicContact CE2-CD1 4.09Å; F91-I130 HydrophobicContact CZ-CD1 4.32Å; I130-G132 PolarHBondContact O-N 2.94Å; I130-I133 PolarHBondContact N-O 3.28Å; I130-I133 WeakPolarHBondContact O-CB 3.42Å; I130-I133 PolarHBondContact O-N 3.45Å; I130-V135 HydrophobicContact CD1-CG1 4.32Å; I130-V135 HydrophobicContact CD1-CG2 3.67Å; I130-V135 HydrophobicContact CG1-CG2 3.91Å |
| 131 | K | 89.3 | Confident | 91.2 | Very high | 127 Ų | 127 | 59.6 Ų | 59.6 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 35 | -177.5 | -63.5 | 167.9 | 67.8 | 168.5 | 0 | 113.5 | D81 E86 I133 | D81-K131 PolarHBondContact O-NZ 3.22Å; E86-K131 IonicContact OE1-NZ 3.78Å; E86-K131 PolarHBondContact OE1-NZ 3.2Å; E86-K131 WeakPolarHBondContact OE2-CD 3.2Å; E86-K131 IonicContact OE2-NZ 3.29Å; E86-K131 PolarHBondContact OE2-NZ 3Å; K131-I133 PolarHBondContact O-N 3.13Å |
| 132 | G | 90.9 | Very high | 90 | Very high | 66 Ų | 66 | 61.8 Ų | 61.8 | 68% | 0.68 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 0.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.8 | I130 | I130-G132 PolarHBondContact O-N 2.94Š|
| 133 | I | 93.3 | Very high | 88.1 | Confident | 67 Ų | 67 | 65 Ų | 65 | 34% | 0.344 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 131.1 | 177.1 | -54.6 | -59.8 | 0 | 0 | 0 | 110 | T79 M82 I129 I130 K131 V135 | T79-I133 HydrophobicContact CG2-CD1 4.49Å; T79-I133 HydrophobicContact CG2-CG1 4.15Å; T79-I133 HydrophobicContact CG2-CG2 4.21Å; M82-I133 HydrophobicContact CE-CB 3.69Å; M82-I133 HydrophobicContact CE-CG1 4.13Å; M82-I133 HydrophobicContact CE-CG2 4.06Å; I129-I133 CarbonylContact C-O 3.54Å; I129-I133 WeakPolarHBondContact CA-O 3.41Å; I130-I133 PolarHBondContact N-O 3.28Å; I130-I133 WeakPolarHBondContact O-CB 3.42Å; I130-I133 PolarHBondContact O-N 3.45Å; K131-I133 PolarHBondContact O-N 3.13Å; I133-V135 PolarHBondContact O-N 3.32Å |
| 134 | S | 95.6 | Very high | 85.5 | Confident | 54 Ų | 54 | 70.8 Ų | 70.8 | 38% | 0.378 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 113.4 | 173.2 | 174 | 0 | 0 | 0 | 0 | 110.7 | L128 | L128-S134 CarbonylContact O-C 3.53Å; L128-S134 WeakPolarHBondContact O-CA 3.44Å |
| 135 | V | 96.6 | Very high | 82.9 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 142.1 | 172.8 | -58.5 | 0 | 0 | 0 | 0 | 110 | V75 G76 M82 D127 L128 I130 I133 I137 | V75-V135 HydrophobicContact CG1-CB 3.95Å; V75-V135 HydrophobicContact CG1-CG1 4.45Å; V75-V135 HydrophobicContact CG1-CG2 4Å; G76-V135 WeakPolarHBondContact O-CA 3.31Å; G76-V135 WeakPolarHBondContact O-CB 3.15Å; M82-V135 HydrophobicContact CE-CG1 3.99Å; M82-V135 HydrophobicContact SD-CG1 4.11Å; D127-V135 CarbonylContact C-O 3.54Å; D127-V135 WeakPolarHBondContact CA-O 3.42Å; L128-V135 HydrophobicContact CB-CG2 3.94Å; L128-V135 PolarHBondContact N-O 3.38Å; L128-V135 WeakPolarHBondContact O-CG2 3.26Å; L128-V135 PolarHBondContact O-N 3.05Å; I130-V135 HydrophobicContact CD1-CG1 4.32Å; I130-V135 HydrophobicContact CD1-CG2 3.67Å; I130-V135 HydrophobicContact CG1-CG2 3.91Å; I133-V135 PolarHBondContact O-N 3.32Å; V135-I137 HydrophobicContact CG2-CD1 4.25Å |
| 136 | H | 95.6 | Very high | 80.4 | Confident | 55 Ų | 55 | 78.9 Ų | 78.9 | 26% | 0.255 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 129.9 | -179.3 | -176.8 | 69.3 | 0 | 0 | 0 | 110.8 | G76 D127 | G76-H136 PolarHBondContact N-O 2.96Å; G76-H136 PolarHBondContact O-N 3.45Å; G76-H136 VanDerWaalsContact O-N 3.09Å; D127-H136 IonicContact OD1-CG 3.86Å; D127-H136 IonicContact OD1-ND1 2.9Å; D127-H136 PolarHBondContact OD1-ND1 3.28Å; D127-H136 IonicContact OD2-ND1 3.73Å |
| 137 | I | 95.1 | Very high | 77.9 | Confident | 0 Ų | 0 | 80.8 Ų | 80.8 | 0% | 0 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 127.5 | -178.8 | -47.4 | -57.5 | 0 | 0 | 0 | 110.2 | V73 F74 V75 F91 L123 G125 E126 L128 V135 | V73-I137 HydrophobicContact CB-CG2 3.78Å; V73-I137 HydrophobicContact CG1-CG2 4.09Å; V73-I137 HydrophobicContact CG2-CG2 4.11Å; F74-I137 WeakPolarHBondContact O-CA 3.14Å; V75-I137 HydrophobicContact CB-CD1 4.25Å; V75-I137 HydrophobicContact CG1-CD1 3.86Å; V75-I137 HydrophobicContact CG2-CD1 3.96Å; F91-I137 HydrophobicContact CE1-CD1 3.97Å; F91-I137 HydrophobicContact CZ-CD1 3.65Å; L123-I137 HydrophobicContact CB-CG2 4.05Å; L123-I137 WeakPolarHBondContact O-CB 3.48Å; L123-I137 VanDerWaalsContact O-CG2 3.31Å; L123-I137 WeakPolarHBondContact O-CG2 3.44Å; G125-I137 WeakPolarHBondContact CA-O 3.04Å; G125-I137 PolarHBondContact N-O 3.45Å; E126-I137 PolarHBondContact O-N 3.45Å; L128-I137 HydrophobicContact CD1-CD1 4.07Å; L128-I137 HydrophobicContact CD1-CG1 3.81Å; L128-I137 HydrophobicContact CG-CG1 3.99Å; V135-I137 HydrophobicContact CG2-CD1 4.25Å |
| 138 | S | 90.4 | Very high | 75.2 | Confident | 35 Ų | 35 | 86.9 Ų | 86.9 | 25% | 0.245 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 173.1 | 176.2 | 70.6 | 0 | 0 | 0 | 0 | 112.3 | F74 A140 | F74-S138 VanDerWaalsContact CD1-OG 3.29Å; F74-S138 WeakPolarHBondContact CD1-OG 3.24Å; F74-S138 PolarHBondContact N-O 3.36Å; F74-S138 PolarHBondContact O-N 2.98Å; S138-A140 PolarHBondContact O-N 2.91Å |
| 139 | N | 87.6 | Confident | 72.7 | Confident | 104 Ų | 104 | 94.2 Ų | 94.2 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 130.3 | 174 | -63.2 | 105.5 | 0 | 0 | 0 | 109.9 | C124 E141 | C124-N139 VanDerWaalsContact SG-CG 3.51Å; C124-N139 PolarHBondContact SG-N 2.78Å; C124-N139 VanDerWaalsContact SG-N 3.38Å; C124-N139 PolarHBondContact SG-OD1 3.19Å; N139-E141 PolarHBondContact O-N 2.78Å; N139-E141 VanDerWaalsContact O-N 3.08Å |
| 140 | A | 83 | Confident | 69.8 | Low | 11 Ų | 11 | 95.3 Ų | 95.3 | 9% | 0.091 | 50% | 0.501 | C | S | . | . | trans | -68.7 | 111.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | K72 F111 S138 | K72-A140 HydrophobicContact CB-CB 3.93Å; K72-A140 HydrophobicContact CD-CB 3.81Å; K72-A140 HydrophobicContact CG-CB 3.59Å; K72-A140 WeakPolarHBondContact O-CB 3.47Å; K72-A140 PolarHBondContact O-N 3.44Å; F111-A140 HydrophobicContact CD1-CB 3.82Å; F111-A140 HydrophobicContact CE1-CB 3.98Å; S138-A140 PolarHBondContact O-N 2.91Å | ||
| 141 | E | 77.3 | Confident | 67 | Low | 165 Ų | 165 | 102.2 Ų | 102.2 | 77% | 0.771 | 53% | 0.533 | S | S | * | . | trans | -63.8 | 130.7 | 171 | -65.6 | -170 | 161.9 | 0 | 0 | 109.2 | N139 K143 | N139-E141 PolarHBondContact O-N 2.78Å; N139-E141 VanDerWaalsContact O-N 3.08Å; E141-K143 PolarHBondContact O-N 2.81Å; E141-K143 VanDerWaalsContact O-N 3.11Å | ||
| 142 | P | 62.2 | Low | 64.8 | Low | 112 Ų | 112 | 108.1 Ų | 108.1 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | trans | -57.6 | 123.9 | 169.8 | -11.5 | 23 | 0 | 0 | 0 | 107 | H144 | P142-H144 VanDerWaalsContact C-N 3.31Å; P142-H144 PolarHBondContact O-N 2.95Å | ||
| 143 | K | 51.7 | Low | 62.1 | Low | 149 Ų | 149 | 109.7 Ų | 109.7 | 65% | 0.648 | 55% | 0.552 | S | S | * | * | trans | -56.6 | 105.2 | 166.5 | -82.1 | -173 | 176.9 | -179.3 | 0 | 106.8 | E141 N145 | E141-K143 PolarHBondContact O-N 2.81Å; E141-K143 VanDerWaalsContact O-N 3.11Å; K143-N145 VanDerWaalsContact C-N 3.32Å; K143-N145 PolarHBondContact O-N 3.34Å | ||
| 144 | H | 39.3 | Very low | 58.9 | Low | 129 Ų | 129 | 109.8 Ų | 109.8 | 60% | 0.597 | 57% | 0.569 | S | S | * | * | trans | -63.5 | 99.1 | 173.3 | -166.2 | 75.5 | 0 | 0 | 0 | 105.9 | P142 S146 | P142-H144 VanDerWaalsContact C-N 3.31Å; P142-H144 PolarHBondContact O-N 2.95Å; H144-S146 PolarHBondContact O-N 3.46Å; H144-S146 VanDerWaalsContact O-N 3.16Å | ||
| 145 | N | 35.1 | Very low | 56.1 | Low | 152 Ų | 152 | 118 Ų | 118 | 81% | 0.813 | 59% | 0.592 | S | S | * | * | trans | -61.8 | 115.7 | 153.1 | -123.4 | 9.8 | 0 | 0 | 0 | 103.8 | K143 N147 | K143-N145 VanDerWaalsContact C-N 3.32Å; K143-N145 PolarHBondContact O-N 3.34Å; N145-N147 PolarHBondContact O-N 2.94Å | ||
| 146 | S | 35.4 | Very low | 53 | Low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -60.2 | 76.4 | -175.1 | 22.4 | 0 | 0 | 0 | 0 | 111.7 | H144 | H144-S146 PolarHBondContact O-N 3.46Å; H144-S146 VanDerWaalsContact O-N 3.16Å |
| 147 | N | 39.2 | Very low | 50.1 | Low | 144 Ų | 144 | 128.6 Ų | 128.6 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | trans | -178.8 | 137.8 | 142.4 | -120.5 | -23.5 | 0 | 0 | 0 | 110.6 | N145 | N145-N147 PolarHBondContact O-N 2.94Š| ||
| 148 | R | 39.2 | Very low | 47.4 | Very low | 207 Ų | 207 | 131.4 Ų | 131.4 | 78% | 0.781 | 68% | 0.677 | S | S | * | * | trans | 103.6 | 71.4 | 172.7 | -58.1 | -178.2 | -164 | -165.8 | 5.2 | 116.2 | ||||
| 149 | Q | 41.9 | Very low | 44.7 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | -73.5 | 157.1 | 127.8 | -92.5 | -171.7 | -8 | 0 | 0 | 109.9 | |||||
| 150 | L | 33.4 | Very low | 42.3 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 74% | 0.743 | 70% | 0.701 | S | S | * | * | trans | 74 | 119.6 | -178.3 | -87.4 | 70.8 | 0 | 0 | 0 | 114.6 | ||||
| 151 | E | 34.2 | Very low | 40 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 71% | 0.706 | 73% | 0.726 | S | S | * | * | cis | -147.1 | 142 | 17.9 | -71.5 | -149.3 | 118.1 | 0 | 0 | 112.3 | S153 | E151-S153 PolarHBondContact O-N 2.81Š| ||
| 152 | R | 43 | Very low | 38 | Very low | 251 Ų | 251 | 139.7 Ų | 139.7 | 95% | 0.947 | 72% | 0.722 | S | S | * | * | trans | -74.6 | 101.6 | 158.3 | -74.5 | 171.8 | 157.1 | 179.6 | -7.5 | 108.3 | ||||
| 153 | S | 34.4 | Very low | 36.5 | Very low | 100 Ų | 100 | 139.5 Ų | 139.5 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | -173.2 | 136.5 | 157.1 | 46.1 | 0 | 0 | 0 | 0 | 111.6 | E151 | E151-S153 PolarHBondContact O-N 2.81Š| ||
| 154 | G | 27.5 | Very low | 35.8 | Very low | 68 Ų | 68 | 139.1 Ų | 139.1 | 70% | 0.701 | 73% | 0.725 | S | S | * | * | trans | 98.7 | 74.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 155 | R | 35.9 | Very low | 35.7 | Very low | 228 Ų | 228 | 142.6 Ų | 142.6 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | 38.2 | 118.8 | 92.1 | -65.6 | -174.2 | -178.7 | -176 | 1 | 112.6 | |||||
| 156 | F | 32.2 | Very low | 35.9 | Very low | 197 Ų | 197 | 138.9 Ų | 138.9 | 86% | 0.864 | 73% | 0.732 | S | S | * | * | 177.2 | 134.3 | 122.7 | -81.3 | -62.5 | 0 | 0 | 0 | 109.6 | |||||
| 157 | G | 34.7 | Very low | 36.7 | Very low | 79 Ų | 79 | 141.8 Ų | 141.8 | 81% | 0.814 | 73% | 0.727 | S | S | * | * | trans | -61.8 | 136.8 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 158 | V | 37.5 | Very low | 37.8 | Very low | 59 Ų | 59 | 137.4 Ų | 137.4 | 36% | 0.358 | 71% | 0.708 | S | S | . | * | trans | -120.9 | 103.8 | 161.5 | -114.4 | 0 | 0 | 0 | 0 | 104 | K61 L160 | K61-V158 HydrophobicContact CD-CG2 4.43Å; K61-V158 PolarHBondContact NZ-O 3.16Å; V158-L160 PolarHBondContact O-N 2.64Å | ||
| 159 | H | 33.2 | Very low | 39.5 | Very low | 186 Ų | 186 | 128.6 Ų | 128.6 | 86% | 0.861 | 68% | 0.677 | S | S | * | * | trans | -61.5 | 103.5 | 169.7 | -117.5 | 74.8 | 0 | 0 | 0 | 106.8 | I161 | H159-I161 PolarHBondContact O-N 2.7Š| ||
| 160 | L | 38.1 | Very low | 41.3 | Very low | 85 Ų | 85 | 121 Ų | 121 | 45% | 0.445 | 64% | 0.643 | S | S | . | * | trans | -79.8 | 101.1 | 163.1 | -72 | 163.9 | 0 | 0 | 0 | 104.4 | K61 V158 S162 | K61-L160 HydrophobicContact CD-CD1 4.03Å; K61-L160 HydrophobicContact CG-CD1 4.07Å; K61-L160 VanDerWaalsContact NZ-CG 3.32Å; V158-L160 PolarHBondContact O-N 2.64Å; L160-S162 VanDerWaalsContact C-N 3.26Å; L160-S162 PolarHBondContact O-N 2.73Å | ||
| 161 | I | 34.1 | Very low | 43.5 | Very low | 118 Ų | 118 | 114.2 Ų | 114.2 | 61% | 0.605 | 61% | 0.608 | S | S | * | * | trans | -66.2 | 99.9 | 166.5 | -50.3 | 174.6 | 0 | 0 | 0 | 105 | H159 N163 | H159-I161 PolarHBondContact O-N 2.7Å; I161-N163 PolarHBondContact O-N 3.31Å | ||
| 162 | S | 35.6 | Very low | 45.8 | Very low | 100 Ų | 100 | 110.5 Ų | 110.5 | 70% | 0.699 | 59% | 0.589 | S | S | * | * | trans | -59.4 | 113.1 | 165.3 | 47.4 | 0 | 0 | 0 | 0 | 106.9 | L160 | L160-S162 VanDerWaalsContact C-N 3.26Å; L160-S162 PolarHBondContact O-N 2.73Å | ||
| 163 | N | 30.7 | Very low | 47.7 | Very low | 108 Ų | 108 | 98.9 Ų | 98.9 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | trans | -60.3 | 150.8 | 161.3 | -107.2 | 10.4 | 0 | 0 | 0 | 108 | I161 Y165 G166 | I161-N163 PolarHBondContact O-N 3.31Å; N163-Y165 PolarHBondContact O-N 3.22Å; N163-G166 PolarHBondContact O-N 3.44Å; N163-G166 VanDerWaalsContact O-N 3.08Å | ||
| 164 | V | 37.8 | Very low | 49.9 | Very low | 141 Ų | 141 | 97.1 Ų | 97.1 | 86% | 0.855 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 2.2 | -174.7 | 178.3 | 0 | 0 | 0 | 0 | 114.6 | ||
| 165 | Y | 36.1 | Very low | 52 | Low | 203 Ų | 203 | 96.2 Ų | 96.2 | 80% | 0.796 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 11.3 | 179.1 | -69.9 | -81 | 0 | 0 | 0 | 115.1 | N163 R167 | N163-Y165 PolarHBondContact O-N 3.22Å; Y165-R167 PolarHBondContact O-N 2.63Å |
| 166 | G | 39.8 | Very low | 52.8 | Low | 74 Ų | 74 | 89.6 Ų | 89.6 | 76% | 0.763 | 49% | 0.492 | S | S | * | . | S | Bend | trans | 66 | 2.1 | 169 | 0 | 0 | 0 | 0 | 0 | 116.8 | N163 | N163-G166 PolarHBondContact O-N 3.44Å; N163-G166 VanDerWaalsContact O-N 3.08Å |
| 167 | R | 51.5 | Low | 53.8 | Low | 164 Ų | 164 | 83.9 Ų | 83.9 | 62% | 0.619 | 47% | 0.472 | S | S | * | . | trans | -107.8 | 122.9 | 179.5 | -66.7 | -178.1 | 177.5 | -174 | -2.7 | 110.8 | Y165 | Y165-R167 PolarHBondContact O-N 2.63Š| ||
| 168 | S | 63.8 | Low | 54.9 | Low | 53 Ų | 53 | 84.2 Ų | 84.2 | 37% | 0.371 | 45% | 0.453 | S | S | . | . | trans | -82.6 | 118.8 | 178.7 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | Q38 S170 | Q38-S168 PolarHBondContact NE2-O 3.05Å; Q38-S168 PolarHBondContact OE1-O 3.03Å; S168-S170 PolarHBondContact O-N 2.81Å; S168-S170 VanDerWaalsContact O-N 3.15Å; S168-S170 WeakPolarHBondContact OG-CB 3.4Å; S168-S170 PolarHBondContact OG-N 3.35Å; S168-S170 PolarHBondContact OG-OG 2.76Å | ||
| 169 | T | 74.1 | Confident | 55.9 | Low | 21 Ų | 21 | 85.7 Ų | 85.7 | 13% | 0.129 | 46% | 0.459 | C | S | . | . | trans | -77.6 | 15 | 172.8 | 61.9 | 0 | 0 | 0 | 0 | 114.1 | R31 F32 | R31-T169 WeakPolarHBondContact CG-OG1 3.28Å; R31-T169 PolarHBondContact NE-OG1 3.39Å; F32-T169 PolarHBondContact N-O 3.49Å; F32-T169 VanDerWaalsContact N-O 3.16Å; F32-T169 VanDerWaalsContact O-CB 3.23Å; F32-T169 WeakPolarHBondContact O-CB 3.2Å; F32-T169 PolarHBondContact O-OG1 2.83Å | ||
| 170 | S | 79.2 | Confident | 57.4 | Low | 13 Ų | 13 | 79.4 Ų | 79.4 | 9% | 0.091 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 142.7 | -179.3 | -55.7 | 0 | 0 | 0 | 0 | 110.7 | V30 Q38 P58 S168 | V30-S170 CarbonylContact O-C 3.54Å; V30-S170 WeakPolarHBondContact O-CA 3.42Å; Q38-S170 PolarHBondContact NE2-O 2.86Å; Q38-S170 VanDerWaalsContact NE2-O 3.14Å; P58-S170 WeakPolarHBondContact CD-O 3.48Å; S168-S170 PolarHBondContact O-N 2.81Å; S168-S170 VanDerWaalsContact O-N 3.15Å; S168-S170 WeakPolarHBondContact OG-CB 3.4Å; S168-S170 PolarHBondContact OG-N 3.35Å; S168-S170 PolarHBondContact OG-OG 2.76Å |
| 171 | L | 80.4 | Confident | 58.7 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 142.5 | 171.3 | -63.6 | 177.8 | 0 | 0 | 0 | 110 | F29 V30 F32 Q38 V41 M42 C55 K56 L57 | F29-L171 CarbonylContact C-O 3.59Å; F29-L171 WeakPolarHBondContact CA-O 3.13Å; V30-L171 HydrophobicContact CG1-CB 3.79Å; V30-L171 HydrophobicContact CG1-CD1 4.44Å; V30-L171 PolarHBondContact N-O 2.84Å; V30-L171 PolarHBondContact O-N 2.84Å; F32-L171 HydrophobicContact CD2-CD1 4.49Å; F32-L171 HydrophobicContact CE2-CD1 4.14Å; Q38-L171 HydrophobicContact CG-CD1 3.89Å; Q38-L171 HydrophobicContact CG-CD2 3.51Å; Q38-L171 HydrophobicContact CG-CG 3.69Å; V41-L171 HydrophobicContact CB-CD1 4Å; V41-L171 HydrophobicContact CG1-CD1 3.6Å; M42-L171 HydrophobicContact CG-CD1 3.95Å; M42-L171 HydrophobicContact CG-CD2 3.37Å; M42-L171 HydrophobicContact CG-CG 4.32Å; M42-L171 HydrophobicContact SD-CD2 3.32Å; M42-L171 WeakPolarHBondContact SD-CD2 3.15Å; C55-L171 HydrophobicContact CB-CD1 4.22Å; K56-L171 CarbonylContact O-C 3.37Å; K56-L171 WeakPolarHBondContact O-CA 3.41Å; L57-L171 HydrophobicContact CD2-CD2 4.28Å |
| 172 | K | 82.9 | Confident | 60.4 | Low | 73 Ų | 73 | 76.3 Ų | 76.3 | 32% | 0.317 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 119.3 | 161.5 | -175.5 | 179.7 | 177.6 | -178.1 | 0 | 107.9 | F27 G28 F29 K56 P58 | F27-K172 HydrophobicContact CD2-CD 4.33Å; F27-K172 VanDerWaalsContact CD2-CE 3.45Å; F27-K172 HydrophobicContact CD2-CG 4.18Å; G28-K172 CarbonylContact O-C 3.45Å; G28-K172 WeakPolarHBondContact O-CA 3.22Å; F29-K172 HydrophobicContact CD1-CB 4.04Å; F29-K172 HydrophobicContact CD1-CG 4.4Å; F29-K172 HydrophobicContact CE1-CB 3.81Å; F29-K172 HydrophobicContact CE1-CD 4.33Å; F29-K172 HydrophobicContact CE1-CG 3.92Å; F29-K172 HydrophobicContact CZ-CG 4.37Å; K56-K172 PolarHBondContact N-O 2.84Å; K56-K172 PolarHBondContact O-N 3.13Å; P58-K172 HydrophobicContact CB-CB 4.35Å |
| 173 | V | 82.6 | Confident | 62.3 | Low | 6 Ų | 6 | 74.5 Ų | 74.5 | 4% | 0.036 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 119.8 | 174.9 | -174 | 0 | 0 | 0 | 0 | 107.3 | F4 F27 G28 V30 C53 L175 | F4-V173 HydrophobicContact CE2-CG1 4.13Å; F4-V173 HydrophobicContact CE2-CG2 3.84Å; F4-V173 HydrophobicContact CZ-CB 4.4Å; F4-V173 HydrophobicContact CZ-CG1 3.85Å; F4-V173 HydrophobicContact CZ-CG2 3.65Å; F27-V173 CarbonylContact C-O 3.57Å; F27-V173 WeakPolarHBondContact CA-O 3.36Å; F27-V173 VanDerWaalsContact CB-O 3.26Å; F27-V173 WeakPolarHBondContact CB-O 3.42Å; G28-V173 PolarHBondContact N-O 2.96Å; G28-V173 PolarHBondContact O-N 3.15Å; V30-V173 HydrophobicContact CB-CG2 4.36Å; V30-V173 HydrophobicContact CG1-CG2 3.64Å; C53-V173 HydrophobicContact CB-CG1 4.02Å; V173-L175 HydrophobicContact CG1-CD2 4.04Å |
| 174 | V | 79.8 | Confident | 65 | Low | 64 Ų | 64 | 71.7 Ų | 71.7 | 39% | 0.388 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 118.8 | 172.5 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | C53 D54 | C53-V174 WeakPolarHBondContact CA-O 3.48Å; C53-V174 VanDerWaalsContact CB-O 3.31Å; C53-V174 WeakPolarHBondContact CB-O 3.24Å; D54-V174 PolarHBondContact N-O 3.41Å; D54-V174 PolarHBondContact O-N 3.33Å |
| 175 | L | 71.4 | Confident | 67.4 | Low | 48 Ų | 48 | 65.4 Ų | 65.4 | 25% | 0.251 | 34% | 0.342 | S | S | . | . | trans | -88.7 | 0 | -177 | -62.3 | 172.3 | 0 | 0 | 0 | 110.3 | V15 G26 I48 R51 C53 V173 | V15-L175 HydrophobicContact CG1-CD1 4.43Å; G26-L175 PolarHBondContact O-N 2.91Å; I48-L175 HydrophobicContact CD1-CD2 4.46Å; R51-L175 WeakPolarHBondContact CD-OXT 3.48Å; R51-L175 VanDerWaalsContact CG-OXT 3.24Å; R51-L175 WeakPolarHBondContact CG-OXT 3.45Å; R51-L175 PolarHBondContact NE-O 3.24Å; R51-L175 PolarHBondContact NE-OXT 3.24Å; R51-L175 PolarHBondContact NH2-O 3.34Å; C53-L175 VanDerWaalsContact SG-CD2 3.55Å; V173-L175 HydrophobicContact CG1-CD2 4.04Å |
Retrieved 175 of 175 residues in 210.7 ms
(Link to these results)