| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 52.1 | Low | 82.4 | Confident | 185 Ų | 185 | 88.7 Ų | 88.7 | 91% | 0.911 | 45% | 0.454 | S | S | * | . | 0 | 150.6 | 0 | -67.3 | -169.4 | -163.4 | 0 | 0 | 108.2 | Q17 | M1-Q17 HydrophobicContact CB-CG 3.53Å; M1-Q17 HydrophobicContact CG-CG 4.1Å; M1-Q17 HydrophobicContact SD-CG 3.55Å; M1-Q17 VanDerWaalsContact SD-CG 3.55Å; M1-Q17 PolarHBondContact SD-NE2 2.92Å | |||
| 2 | K | 71.3 | Confident | 83.1 | Confident | 134 Ų | 134 | 86.2 Ų | 86.2 | 58% | 0.583 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 135.8 | 175.6 | -69.5 | -175.5 | 177.6 | 175 | 0 | 110 | D229 | K2-D229 IonicContact NZ-OD1 3.45Å; K2-D229 PolarHBondContact NZ-OD1 2.9Å; K2-D229 IonicContact NZ-OD2 3.78Å; K2-D229 PolarHBondContact NZ-OD2 3.41Å |
| 3 | T | 80 | Confident | 83.6 | Confident | 72 Ų | 72 | 79.6 Ų | 79.6 | 44% | 0.442 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 129.5 | 173.4 | -50.6 | 0 | 0 | 0 | 0 | 108.9 | F15 W16 I22 | T3-F15 HydrophobicContact CG2-CB 4.15Å; T3-F15 HydrophobicContact CG2-CD1 4.01Å; T3-W16 CarbonylContact C-O 3.56Å; T3-W16 WeakPolarHBondContact CA-O 3.27Å; T3-W16 WeakPolarHBondContact CG2-O 3.47Å; T3-I22 HydrophobicContact CG2-CD1 4.26Å |
| 4 | V | 85 | Confident | 84 | Confident | 81 Ų | 81 | 74.6 Ų | 74.6 | 49% | 0.491 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 130.3 | 172.5 | 177.5 | 0 | 0 | 0 | 0 | 107.9 | T6 W16 | V4-T6 HydrophobicContact CG1-CG2 4.38Å; V4-W16 HydrophobicContact CB-CB 4.2Å; V4-W16 PolarHBondContact N-O 2.95Å; V4-W16 PolarHBondContact O-N 3.1Å |
| 5 | I | 88.5 | Confident | 84.3 | Confident | 44 Ų | 44 | 70.6 Ų | 70.6 | 23% | 0.226 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.7 | 177.7 | -54 | 175.6 | 0 | 0 | 0 | 107.6 | V13 A14 F15 V36 F43 | I5-V13 HydrophobicContact CG2-CG1 3.7Å; I5-A14 WeakPolarHBondContact CA-O 3.4Å; I5-F15 HydrophobicContact CD1-CD1 4Å; I5-F15 HydrophobicContact CD1-CE1 3.47Å; I5-F15 VanDerWaalsContact CD1-CE1 3.47Å; I5-F15 HydrophobicContact CD1-CZ 4.25Å; I5-F15 HydrophobicContact CG1-CD1 3.71Å; I5-F15 HydrophobicContact CG1-CE1 3.7Å; I5-F15 HydrophobicContact CG2-CE1 4.45Å; I5-V36 HydrophobicContact CD1-CG2 3.74Å; I5-F43 HydrophobicContact CD1-CD2 4.42Å; I5-F43 HydrophobicContact CD1-CE2 3.76Å; I5-F43 HydrophobicContact CG2-CE2 4.33Å; I5-F43 HydrophobicContact CG2-CZ 4.15Å |
| 6 | T | 90.1 | Very high | 84.4 | Confident | 63 Ų | 63 | 71.3 Ų | 71.3 | 39% | 0.387 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 140.2 | 174 | 59.1 | 0 | 0 | 0 | 0 | 109.2 | V4 V13 A14 W16 | V4-T6 HydrophobicContact CG1-CG2 4.38Å; T6-V13 WeakPolarHBondContact O-CA 3Å; T6-A14 PolarHBondContact N-O 3.12Å; T6-A14 PolarHBondContact O-N 2.81Å; T6-W16 PolarHBondContact OG1-NE1 2.83Å |
| 7 | M | 90 | Very high | 84.5 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 34% | 0.34 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 149.1 | 178.8 | 67.3 | -163.8 | 76.2 | 0 | 0 | 110.8 | I12 V31 T33 C34 | M7-I12 CarbonylContact C-O 3.55Å; M7-I12 VanDerWaalsContact CA-O 3.31Å; M7-I12 WeakPolarHBondContact CA-O 3.4Å; M7-V31 HydrophobicContact CB-CB 4.44Å; M7-V31 HydrophobicContact CB-CG1 4.23Å; M7-V31 HydrophobicContact SD-CG1 3.97Å; M7-T33 VanDerWaalsContact SD-CA 3.54Å; M7-C34 HydrophobicContact CE-CB 3.77Å; M7-C34 WeakPolarHBondContact CE-SG 3.4Å |
| 8 | S | 89.5 | Confident | 84.3 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 25% | 0.252 | 37% | 0.367 | S | S | . | . | trans | -119.1 | 156.7 | 174.8 | 84.2 | 0 | 0 | 0 | 0 | 111.8 | E10 G11 I12 | S8-E10 PolarHBondContact O-N 3.4Å; S8-E10 PolarHBondContact OG-N 3.21Å; S8-G11 PolarHBondContact O-N 2.94Å; S8-G11 PolarHBondContact OG-N 3.37Å; S8-I12 PolarHBondContact N-O 3.41Å; S8-I12 WeakPolarHBondContact OG-CB 3.32Å; S8-I12 PolarHBondContact OG-N 3.02Å | ||
| 9 | H | 86.5 | Confident | 84.4 | Confident | 142 Ų | 142 | 75.5 Ų | 75.5 | 66% | 0.657 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.4 | 171.3 | -70.2 | -68.6 | 0 | 0 | 0 | 113.2 | G11 P30 Y32 | H9-G11 PolarHBondContact O-N 3.16Å; H9-P30 WeakPolarHBondContact O-CA 3.32Å; H9-P30 VanDerWaalsContact O-CB 3.28Å; H9-P30 WeakPolarHBondContact O-CB 3.34Å; H9-Y32 AromaticContact CE1-CD1 3.74Å; H9-Y32 AromaticContact CE1-CE1 3.81Å; H9-Y32 AromaticContact ND1-CD1 3.81Å; H9-Y32 AromaticContact ND1-CE1 3.59Å |
| 10 | E | 87.8 | Confident | 84.5 | Confident | 150 Ų | 150 | 77.7 Ų | 77.7 | 70% | 0.701 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -4.9 | 172.1 | -59.9 | -173.6 | 161.1 | 0 | 0 | 112.5 | S8 | S8-E10 PolarHBondContact O-N 3.4Å; S8-E10 PolarHBondContact OG-N 3.21Å |
| 11 | G | 85.8 | Confident | 84.7 | Confident | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 41% | 0.405 | C | S | . | . | S | Bend | trans | 89.1 | 15.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S8 H9 L27 R29 | S8-G11 PolarHBondContact O-N 2.94Å; S8-G11 PolarHBondContact OG-N 3.37Å; H9-G11 PolarHBondContact O-N 3.16Å; G11-L27 WeakPolarHBondContact O-CB 3.47Å; G11-L27 PolarHBondContact O-N 2.91Å; G11-R29 WeakPolarHBondContact CA-O 3.36Å |
| 12 | I | 90.1 | Very high | 86.2 | Confident | 58 Ų | 58 | 70.9 Ų | 70.9 | 30% | 0.297 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.1 | 175.3 | -56.3 | 171.3 | 0 | 0 | 0 | 108.4 | M7 S8 Y25 | M7-I12 CarbonylContact C-O 3.55Å; M7-I12 VanDerWaalsContact CA-O 3.31Å; M7-I12 WeakPolarHBondContact CA-O 3.4Å; S8-I12 PolarHBondContact N-O 3.41Å; S8-I12 WeakPolarHBondContact OG-CB 3.32Å; S8-I12 PolarHBondContact OG-N 3.02Å; I12-Y25 CarbonylContact C-O 3.6Å; I12-Y25 WeakPolarHBondContact CA-O 3.26Å |
| 13 | V | 90 | Very high | 86.9 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.3 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | I5 T6 F15 Y24 Y25 L27 V31 F43 | I5-V13 HydrophobicContact CG2-CG1 3.7Å; T6-V13 WeakPolarHBondContact O-CA 3Å; V13-F15 HydrophobicContact CG1-CD2 4.5Å; V13-F15 HydrophobicContact CG1-CE2 3.82Å; V13-F15 HydrophobicContact CG1-CZ 4.23Å; V13-Y24 CarbonylContact O-C 3.55Å; V13-Y24 VanDerWaalsContact O-CA 3.29Å; V13-Y24 WeakPolarHBondContact O-CA 3.07Å; V13-Y25 PolarHBondContact N-O 3.09Å; V13-Y25 PolarHBondContact O-N 2.79Å; V13-L27 HydrophobicContact CG2-CD1 3.98Å; V13-L27 HydrophobicContact CG2-CG 4.37Å; V13-V31 HydrophobicContact CG2-CG2 4.27Å; V13-F43 HydrophobicContact CG1-CE1 3.94Å; V13-F43 HydrophobicContact CG1-CZ 3.77Å |
| 14 | A | 89.6 | Confident | 87.3 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 7% | 0.074 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 137.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | I5 T6 L21 | I5-A14 WeakPolarHBondContact CA-O 3.4Å; T6-A14 PolarHBondContact N-O 3.12Å; T6-A14 PolarHBondContact O-N 2.81Å; A14-L21 HydrophobicContact CB-CD1 3.79Å |
| 15 | F | 88.1 | Confident | 87.4 | Confident | 15 Ų | 15 | 66 Ų | 66 | 7% | 0.066 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 122.2 | -179.5 | -68.3 | -98.1 | 0 | 0 | 0 | 109.5 | T3 I5 V13 I22 D23 Y25 F43 L66 | T3-F15 HydrophobicContact CG2-CB 4.15Å; T3-F15 HydrophobicContact CG2-CD1 4.01Å; I5-F15 HydrophobicContact CD1-CD1 4Å; I5-F15 HydrophobicContact CD1-CE1 3.47Å; I5-F15 VanDerWaalsContact CD1-CE1 3.47Å; I5-F15 HydrophobicContact CD1-CZ 4.25Å; I5-F15 HydrophobicContact CG1-CD1 3.71Å; I5-F15 HydrophobicContact CG1-CE1 3.7Å; I5-F15 HydrophobicContact CG2-CE1 4.45Å; V13-F15 HydrophobicContact CG1-CD2 4.5Å; V13-F15 HydrophobicContact CG1-CE2 3.82Å; V13-F15 HydrophobicContact CG1-CZ 4.23Å; F15-I22 PolarHBondContact O-N 2.97Å; F15-D23 PolarHBondContact N-O 2.71Å; F15-D23 PolarHBondContact O-N 3.08Å; F15-Y25 HydrophobicContact CD2-CD2 4.07Å; F15-Y25 HydrophobicContact CD2-CE2 4.05Å; F15-Y25 AromaticContact CE2-CD2 3.71Å; F15-Y25 HydrophobicContact CE2-CD2 3.71Å; F15-Y25 AromaticContact CE2-CE2 3.8Å; F15-Y25 HydrophobicContact CE2-CE2 3.8Å; F15-F43 HydrophobicContact CZ-CE1 4.44Å; F15-F43 HydrophobicContact CZ-CE2 4.41Å; F15-F43 HydrophobicContact CZ-CZ 4.3Å; F15-L66 HydrophobicContact CE2-CD1 3.78Å; F15-L66 HydrophobicContact CE2-CG 4.12Å; F15-L66 HydrophobicContact CZ-CD1 3.83Å; F15-L66 HydrophobicContact CZ-CD2 4.23Å; F15-L66 HydrophobicContact CZ-CG 4Å |
| 16 | W | 86.7 | Confident | 87.3 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 31% | 0.311 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 139.1 | -175.5 | -56.7 | 84.5 | 0 | 0 | 0 | 110.4 | T3 V4 T6 L20 L21 | T3-W16 CarbonylContact C-O 3.56Å; T3-W16 WeakPolarHBondContact CA-O 3.27Å; T3-W16 WeakPolarHBondContact CG2-O 3.47Å; V4-W16 HydrophobicContact CB-CB 4.2Å; V4-W16 PolarHBondContact N-O 2.95Å; V4-W16 PolarHBondContact O-N 3.1Å; T6-W16 PolarHBondContact OG1-NE1 2.83Å; W16-L20 CarbonylContact C-O 3.59Å; W16-L20 WeakPolarHBondContact CA-O 3.46Å; W16-L21 HydrophobicContact CD2-CB 4.49Å; W16-L21 HydrophobicContact CD2-CD1 4.09Å; W16-L21 HydrophobicContact CE3-CB 3.91Å; W16-L21 HydrophobicContact CE3-CD1 4.33Å; W16-L21 HydrophobicContact CH2-CB 4.11Å; W16-L21 HydrophobicContact CH2-CD1 4.23Å; W16-L21 HydrophobicContact CZ2-CD1 3.98Å; W16-L21 HydrophobicContact CZ3-CB 3.7Å; W16-L21 HydrophobicContact CZ3-CD1 4.41Å |
| 17 | Q | 85.2 | Confident | 87.1 | Confident | 70 Ų | 70 | 64.7 Ų | 64.7 | 33% | 0.327 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 103.4 | 168.6 | 177.3 | 170.9 | -23.2 | 0 | 0 | 108.6 | M1 L19 L20 I22 | M1-Q17 HydrophobicContact CB-CG 3.53Å; M1-Q17 HydrophobicContact CG-CG 4.1Å; M1-Q17 HydrophobicContact SD-CG 3.55Å; M1-Q17 VanDerWaalsContact SD-CG 3.55Å; M1-Q17 PolarHBondContact SD-NE2 2.92Å; Q17-L19 PolarHBondContact O-N 2.7Å; Q17-L20 PolarHBondContact N-O 2.81Å; Q17-L20 PolarHBondContact O-N 3.25Å; Q17-L20 VanDerWaalsContact O-N 3.14Å; Q17-I22 HydrophobicContact CB-CD1 3.33Å; Q17-I22 HydrophobicContact CB-CG1 3.65Å; Q17-I22 HydrophobicContact CG-CD1 4.47Å |
| 18 | G | 81.6 | Confident | 87 | Confident | 52 Ų | 52 | 70.5 Ų | 70.5 | 54% | 0.536 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | -120.7 | -165.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 19 | L | 85.1 | Confident | 86.8 | Confident | 172 Ų | 172 | 74.4 Ų | 74.4 | 90% | 0.901 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -3.3 | 175.9 | -64.6 | 173.2 | 0 | 0 | 0 | 113.3 | Q17 | Q17-L19 PolarHBondContact O-N 2.7Š|
| 20 | L | 87.9 | Confident | 86.9 | Confident | 118 Ų | 118 | 70 Ų | 70 | 62% | 0.618 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.2 | -178.5 | -175 | 70.1 | 0 | 0 | 0 | 110.1 | W16 Q17 I22 | W16-L20 CarbonylContact C-O 3.59Å; W16-L20 WeakPolarHBondContact CA-O 3.46Å; Q17-L20 PolarHBondContact N-O 2.81Å; Q17-L20 PolarHBondContact O-N 3.25Å; Q17-L20 VanDerWaalsContact O-N 3.14Å; L20-I22 PolarHBondContact O-N 3.47Å |
| 21 | L | 86.8 | Confident | 87.1 | Confident | 74 Ų | 74 | 63 Ų | 63 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 114.7 | 166.3 | 179.6 | 64.5 | 0 | 0 | 0 | 108.5 | A14 W16 Y24 | A14-L21 HydrophobicContact CB-CD1 3.79Å; W16-L21 HydrophobicContact CD2-CB 4.49Å; W16-L21 HydrophobicContact CD2-CD1 4.09Å; W16-L21 HydrophobicContact CE3-CB 3.91Å; W16-L21 HydrophobicContact CE3-CD1 4.33Å; W16-L21 HydrophobicContact CH2-CB 4.11Å; W16-L21 HydrophobicContact CH2-CD1 4.23Å; W16-L21 HydrophobicContact CZ2-CD1 3.98Å; W16-L21 HydrophobicContact CZ3-CB 3.7Å; W16-L21 HydrophobicContact CZ3-CD1 4.41Å; L21-Y24 HydrophobicContact CD2-CD1 4.35Å |
| 22 | I | 84.7 | Confident | 87.4 | Confident | 46 Ų | 46 | 66.1 Ų | 66.1 | 24% | 0.236 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -44.3 | -178.7 | -38.2 | 170 | 0 | 0 | 0 | 110.5 | T3 F15 Q17 L20 F65 | T3-I22 HydrophobicContact CG2-CD1 4.26Å; F15-I22 PolarHBondContact O-N 2.97Å; Q17-I22 HydrophobicContact CB-CD1 3.33Å; Q17-I22 HydrophobicContact CB-CG1 3.65Å; Q17-I22 HydrophobicContact CG-CD1 4.47Å; L20-I22 PolarHBondContact O-N 3.47Å; I22-F65 HydrophobicContact CB-CE2 3.92Å; I22-F65 HydrophobicContact CB-CZ 4.44Å; I22-F65 HydrophobicContact CD1-CE2 4.32Å; I22-F65 HydrophobicContact CD1-CZ 4.25Å; I22-F65 HydrophobicContact CG2-CE2 3.48Å; I22-F65 VanDerWaalsContact CG2-CE2 3.48Å; I22-F65 HydrophobicContact CG2-CZ 3.71Å |
| 23 | D | 86.3 | Confident | 87.5 | Confident | 23 Ų | 23 | 64.2 Ų | 64.2 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 154.8 | -172.8 | -162.5 | 8.8 | 0 | 0 | 0 | 110.6 | F15 Y25 K64 F65 | F15-D23 PolarHBondContact N-O 2.71Å; F15-D23 PolarHBondContact O-N 3.08Å; D23-Y25 HydrophobicContact CB-CE2 4.46Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.43Å; D23-Y25 PolarHBondContact OD2-OH 3.02Å; D23-K64 VanDerWaalsContact OD2-CA 3.29Å; D23-K64 WeakPolarHBondContact OD2-CA 3.14Å; D23-F65 HydrophobicContact CB-CD2 3.63Å; D23-F65 HydrophobicContact CB-CE2 3.87Å; D23-F65 PolarHBondContact OD2-N 2.83Å |
| 24 | Y | 87.3 | Confident | 87.6 | Confident | 149 Ų | 149 | 65.6 Ų | 65.6 | 58% | 0.584 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 149.2 | 173.6 | 75 | -82.2 | 0 | 0 | 0 | 111.6 | V13 L21 | V13-Y24 CarbonylContact O-C 3.55Å; V13-Y24 VanDerWaalsContact O-CA 3.29Å; V13-Y24 WeakPolarHBondContact O-CA 3.07Å; L21-Y24 HydrophobicContact CD2-CD1 4.35Å |
| 25 | Y | 87 | Confident | 87.6 | Confident | 13 Ų | 13 | 66.8 Ų | 66.8 | 5% | 0.051 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.1 | -177.8 | -64.9 | -81.8 | 0 | 0 | 0 | 109.7 | I12 V13 F15 D23 K64 F65 L66 V68 | I12-Y25 CarbonylContact C-O 3.6Å; I12-Y25 WeakPolarHBondContact CA-O 3.26Å; V13-Y25 PolarHBondContact N-O 3.09Å; V13-Y25 PolarHBondContact O-N 2.79Å; F15-Y25 HydrophobicContact CD2-CD2 4.07Å; F15-Y25 HydrophobicContact CD2-CE2 4.05Å; F15-Y25 AromaticContact CE2-CD2 3.71Å; F15-Y25 HydrophobicContact CE2-CD2 3.71Å; F15-Y25 AromaticContact CE2-CE2 3.8Å; F15-Y25 HydrophobicContact CE2-CE2 3.8Å; D23-Y25 HydrophobicContact CB-CE2 4.46Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.43Å; D23-Y25 PolarHBondContact OD2-OH 3.02Å; Y25-K64 WeakPolarHBondContact OH-CA 3.41Å; Y25-K64 WeakPolarHBondContact OH-CB 3.48Å; Y25-F65 PolarHBondContact OH-N 3.09Å; Y25-L66 HydrophobicContact CD1-CB 4.47Å; Y25-L66 HydrophobicContact CD2-CB 4.36Å; Y25-L66 HydrophobicContact CD2-CD1 3.67Å; Y25-L66 HydrophobicContact CD2-CG 4.14Å; Y25-L66 HydrophobicContact CE1-CB 3.95Å; Y25-L66 HydrophobicContact CE2-CB 3.87Å; Y25-L66 HydrophobicContact CE2-CD1 3.86Å; Y25-L66 HydrophobicContact CE2-CG 3.78Å; Y25-L66 HydrophobicContact CG-CD1 4.12Å; Y25-L66 PolarHBondContact OH-N 3.18Å; Y25-V68 HydrophobicContact CD1-CG2 3.19Å; Y25-V68 HydrophobicContact CE1-CG2 3.37Å; Y25-V68 HydrophobicContact CG-CG2 4.25Å |
| 26 | N | 87.6 | Confident | 87.6 | Confident | 60 Ų | 60 | 68.6 Ų | 68.6 | 32% | 0.321 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.9 | 166.5 | -168.9 | -14.4 | 0 | 0 | 0 | 108.8 | Y28 | N26-Y28 VanDerWaalsContact C-N 3.3Å; N26-Y28 HydrophobicContact CB-CE2 4.29Å; N26-Y28 WeakPolarHBondContact ND2-CE1 3.06Å; N26-Y28 WeakPolarHBondContact O-CD2 3.38Å; N26-Y28 WeakPolarHBondContact O-CE2 3.29Å; N26-Y28 PolarHBondContact OD1-N 2.52Å |
| 27 | L | 86.3 | Confident | 87.5 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 32% | 0.324 | C | S | . | . | trans | -84.4 | -6.9 | 178.7 | -57.8 | -172.2 | 0 | 0 | 0 | 112.7 | G11 V13 R29 V31 F54 | G11-L27 WeakPolarHBondContact O-CB 3.47Å; G11-L27 PolarHBondContact O-N 2.91Å; V13-L27 HydrophobicContact CG2-CD1 3.98Å; V13-L27 HydrophobicContact CG2-CG 4.37Å; L27-R29 PolarHBondContact O-N 2.81Å; L27-V31 HydrophobicContact CD1-CG2 3.75Å; L27-F54 HydrophobicContact CD1-CE2 3.8Å; L27-F54 HydrophobicContact CD1-CZ 3.85Å; L27-F54 HydrophobicContact CD2-CE1 3.99Å; L27-F54 HydrophobicContact CD2-CE2 4.11Å; L27-F54 HydrophobicContact CD2-CZ 3.47Å; L27-F54 VanDerWaalsContact CD2-CZ 3.47Å; L27-F54 HydrophobicContact CG-CZ 4.29Å | ||
| 28 | Y | 86.1 | Confident | 87.1 | Confident | 191 Ų | 191 | 66.4 Ų | 66.4 | 75% | 0.749 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 51.7 | 24 | -175.4 | -55.5 | -82.5 | 0 | 0 | 0 | 113.7 | N26 | N26-Y28 VanDerWaalsContact C-N 3.3Å; N26-Y28 HydrophobicContact CB-CE2 4.29Å; N26-Y28 WeakPolarHBondContact ND2-CE1 3.06Å; N26-Y28 WeakPolarHBondContact O-CD2 3.38Å; N26-Y28 WeakPolarHBondContact O-CE2 3.29Å; N26-Y28 PolarHBondContact OD1-N 2.52Å |
| 29 | R | 86 | Confident | 87 | Confident | 118 Ų | 118 | 70 Ų | 70 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -144.7 | 137.7 | 179.7 | -72.4 | -171.8 | 174.9 | -165.5 | -0.9 | 109 | G11 L27 V31 | G11-R29 WeakPolarHBondContact CA-O 3.36Å; L27-R29 PolarHBondContact O-N 2.81Å; R29-V31 PolarHBondContact O-N 3.06Å |
| 30 | P | 89.1 | Confident | 86.7 | Confident | 50 Ų | 50 | 63.9 Ų | 63.9 | 33% | 0.325 | 31% | 0.31 | S | S | . | . | trans | -60.7 | 130 | 179 | 25.6 | -34.3 | 0 | 0 | 0 | 110.8 | H9 Y32 | H9-P30 WeakPolarHBondContact O-CA 3.32Å; H9-P30 VanDerWaalsContact O-CB 3.28Å; H9-P30 WeakPolarHBondContact O-CB 3.34Å; P30-Y32 HydrophobicContact CB-CE2 3.79Å; P30-Y32 HydrophobicContact CG-CE2 4.03Å | ||
| 31 | V | 91.4 | Very high | 86.4 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | trans | -110.8 | 126.7 | 175.1 | -178.8 | 0 | 0 | 0 | 0 | 108.4 | M7 V13 L27 R29 T33 C45 | M7-V31 HydrophobicContact CB-CB 4.44Å; M7-V31 HydrophobicContact CB-CG1 4.23Å; M7-V31 HydrophobicContact SD-CG1 3.97Å; V13-V31 HydrophobicContact CG2-CG2 4.27Å; L27-V31 HydrophobicContact CD1-CG2 3.75Å; R29-V31 PolarHBondContact O-N 3.06Å; V31-T33 WeakPolarHBondContact CG1-O 3.48Å; V31-C45 HydrophobicContact CG1-CB 3.9Å; V31-C45 HydrophobicContact CG2-CB 4.35Å | ||
| 32 | Y | 92.1 | Very high | 86.3 | Confident | 66 Ų | 66 | 59.4 Ų | 59.4 | 26% | 0.259 | 28% | 0.282 | S | S | . | . | trans | -109 | -21.3 | -175.5 | -61.5 | -86.6 | 0 | 0 | 0 | 113.3 | H9 P30 G46 V80 V81 | H9-Y32 AromaticContact CE1-CD1 3.74Å; H9-Y32 AromaticContact CE1-CE1 3.81Å; H9-Y32 AromaticContact ND1-CD1 3.81Å; H9-Y32 AromaticContact ND1-CE1 3.59Å; P30-Y32 HydrophobicContact CB-CE2 3.79Å; P30-Y32 HydrophobicContact CG-CE2 4.03Å; Y32-G46 PolarHBondContact N-O 2.83Å; Y32-V80 HydrophobicContact CD1-CG1 3.76Å; Y32-V80 HydrophobicContact CD2-CB 4.49Å; Y32-V80 HydrophobicContact CD2-CG1 3.45Å; Y32-V80 VanDerWaalsContact CD2-CG1 3.45Å; Y32-V80 HydrophobicContact CD2-CG2 4.45Å; Y32-V80 HydrophobicContact CE1-CG1 3.99Å; Y32-V80 HydrophobicContact CE1-CG2 4.43Å; Y32-V80 HydrophobicContact CE2-CB 4.36Å; Y32-V80 HydrophobicContact CE2-CG1 3.69Å; Y32-V80 HydrophobicContact CE2-CG2 3.84Å; Y32-V80 HydrophobicContact CG-CG1 3.47Å; Y32-V80 VanDerWaalsContact CG-CG1 3.47Å; Y32-V81 WeakPolarHBondContact CB-O 3.26Å | ||
| 33 | T | 92.3 | Very high | 86.5 | Confident | 19 Ų | 19 | 57.3 Ų | 57.3 | 12% | 0.117 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 155.7 | 176.2 | -175.8 | 0 | 0 | 0 | 0 | 109.4 | M7 V31 C45 G46 V81 R82 L84 | M7-T33 VanDerWaalsContact SD-CA 3.54Å; V31-T33 WeakPolarHBondContact CG1-O 3.48Å; T33-C45 CarbonylContact O-C 3.51Å; T33-C45 WeakPolarHBondContact O-CA 3.38Å; T33-G46 PolarHBondContact O-N 2.74Å; T33-V81 HydrophobicContact CG2-CG1 4.35Å; T33-R82 WeakPolarHBondContact CB-O 3.38Å; T33-L84 HydrophobicContact CG2-CB 4.36Å; T33-L84 HydrophobicContact CG2-CD1 3.71Å; T33-L84 HydrophobicContact CG2-CG 3.71Å |
| 34 | C | 92.1 | Very high | 86.7 | Confident | 29 Ų | 29 | 56.2 Ų | 56.2 | 20% | 0.196 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 155.2 | 172.1 | 75.8 | 0 | 0 | 0 | 0 | 111.3 | M7 F43 I44 | M7-C34 HydrophobicContact CE-CB 3.77Å; M7-C34 WeakPolarHBondContact CE-SG 3.4Å; C34-F43 HydrophobicContact CB-CE2 3.77Å; C34-F43 HydrophobicContact CB-CZ 3.64Å; C34-I44 CarbonylContact C-O 3.56Å; C34-I44 WeakPolarHBondContact CA-O 3.24Å; C34-I44 WeakPolarHBondContact CB-O 3.39Å |
| 35 | L | 90.1 | Very high | 86.9 | Confident | 35 Ų | 35 | 49.1 Ų | 49.1 | 18% | 0.183 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 132.6 | 177.6 | -174.3 | 70.2 | 0 | 0 | 0 | 109.2 | V37 I44 L84 I91 | L35-V37 HydrophobicContact CD2-CG2 4.14Å; L35-V37 HydrophobicContact CG-CG2 4.32Å; L35-I44 PolarHBondContact N-O 2.85Å; L35-I44 PolarHBondContact O-N 2.92Å; L35-L84 HydrophobicContact CB-CB 4.15Å; L35-L84 HydrophobicContact CB-CD1 4.28Å; L35-L84 HydrophobicContact CD2-CB 4.31Å; L35-I91 HydrophobicContact CD2-CG2 4.42Å |
| 36 | V | 87.5 | Confident | 87.1 | Confident | 52 Ų | 52 | 48.5 Ų | 48.5 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 124.7 | 169.2 | 176.5 | 0 | 0 | 0 | 0 | 107.6 | I5 F43 I56 | I5-V36 HydrophobicContact CD1-CG2 3.74Å; V36-F43 HydrophobicContact CG2-CD2 3.7Å; V36-F43 HydrophobicContact CG2-CE2 4.13Å; V36-I56 HydrophobicContact CG1-CD1 3.79Å |
| 37 | V | 84.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 94.2 | 175 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | L35 N39 L40 K41 E42 I44 I91 | L35-V37 HydrophobicContact CD2-CG2 4.14Å; L35-V37 HydrophobicContact CG-CG2 4.32Å; V37-N39 VanDerWaalsContact C-N 3.29Å; V37-N39 PolarHBondContact O-N 3.27Å; V37-L40 HydrophobicContact CG1-CB 4.13Å; V37-L40 HydrophobicContact CG1-CD1 4.33Å; V37-L40 HydrophobicContact CG1-CG 4.11Å; V37-L40 PolarHBondContact O-N 3.26Å; V37-K41 PolarHBondContact O-N 2.96Å; V37-E42 PolarHBondContact N-O 2.82Å; V37-E42 PolarHBondContact O-N 2.88Å; V37-I44 HydrophobicContact CG2-CD1 3.63Å; V37-I44 HydrophobicContact CG2-CG1 4.32Å; V37-I91 HydrophobicContact CG2-CD1 4.05Å; V37-I91 HydrophobicContact CG2-CG1 4.36Å |
| 38 | D | 77.8 | Confident | 87.4 | Confident | 102 Ų | 102 | 45.6 Ų | 45.6 | 55% | 0.545 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -36.9 | -172 | -81.5 | -45.5 | 0 | 0 | 0 | 113.6 | L40 K41 | D38-L40 VanDerWaalsContact C-N 3.31Å; D38-L40 PolarHBondContact O-N 2.77Å; D38-K41 PolarHBondContact O-N 3.16Å |
| 39 | N | 80 | Confident | 87.3 | Confident | 129 Ų | 129 | 41.9 Ų | 41.9 | 69% | 0.69 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -35.9 | -178 | -63.9 | -1.9 | 0 | 0 | 0 | 112.1 | V37 | V37-N39 VanDerWaalsContact C-N 3.29Å; V37-N39 PolarHBondContact O-N 3.27Å |
| 40 | L | 77.8 | Confident | 87.4 | Confident | 42 Ų | 42 | 36.2 Ų | 36.2 | 22% | 0.22 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -12.8 | 178.4 | -66.6 | -172.6 | 0 | 0 | 0 | 113.4 | V37 D38 E42 T105 G107 L109 | V37-L40 HydrophobicContact CG1-CB 4.13Å; V37-L40 HydrophobicContact CG1-CD1 4.33Å; V37-L40 HydrophobicContact CG1-CG 4.11Å; V37-L40 PolarHBondContact O-N 3.26Å; D38-L40 VanDerWaalsContact C-N 3.31Å; D38-L40 PolarHBondContact O-N 2.77Å; L40-E42 HydrophobicContact CB-CB 4.09Å; L40-E42 HydrophobicContact CB-CG 3.97Å; L40-E42 PolarHBondContact O-N 3.01Å; L40-T105 HydrophobicContact CD1-CG2 4.09Å; L40-T105 WeakPolarHBondContact CD2-O 3.38Å; L40-G107 VanDerWaalsContact CD1-O 3.26Å; L40-G107 WeakPolarHBondContact CD1-O 3.27Å; L40-G107 WeakPolarHBondContact CD2-O 3.28Å; L40-L109 HydrophobicContact CD1-CD1 4.08Å; L40-L109 HydrophobicContact CD1-CG 4.05Å |
| 41 | K | 81.7 | Confident | 87.5 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 41% | 0.413 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 44.3 | -167.3 | -52.3 | 177.7 | -177.3 | 176.1 | 0 | 110.8 | V37 D38 I56 | V37-K41 PolarHBondContact O-N 2.96Å; D38-K41 PolarHBondContact O-N 3.16Å; K41-I56 HydrophobicContact CB-CB 4.4Å; K41-I56 WeakPolarHBondContact O-CB 3.34Å; K41-I56 WeakPolarHBondContact O-CG1 3Å; K41-I56 PolarHBondContact O-N 3.28Å |
| 42 | E | 86 | Confident | 87.3 | Confident | 4 Ų | 4 | 34.2 Ų | 34.2 | 2% | 0.019 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 139.7 | -179.3 | -73 | 179.9 | 167.5 | 0 | 0 | 110.5 | V37 L40 I53 F54 R72 L109 | V37-E42 PolarHBondContact N-O 2.82Å; V37-E42 PolarHBondContact O-N 2.88Å; L40-E42 HydrophobicContact CB-CB 4.09Å; L40-E42 HydrophobicContact CB-CG 3.97Å; L40-E42 PolarHBondContact O-N 3.01Å; E42-I53 HydrophobicContact CB-CG2 3.98Å; E42-I53 HydrophobicContact CG-CG2 4.11Å; E42-F54 CarbonylContact C-O 3.48Å; E42-F54 WeakPolarHBondContact CA-O 3.42Å; E42-R72 IonicContact OE1-CZ 3.66Å; E42-R72 IonicContact OE1-NH1 2.71Å; E42-R72 PolarHBondContact OE1-NH1 2.89Å; E42-R72 IonicContact OE1-NH2 3.55Å; E42-R72 PolarHBondContact OE1-NH2 3.39Å; E42-L109 WeakPolarHBondContact OE2-CB 3.27Å; E42-L109 VanDerWaalsContact OE2-CD1 3.24Å; E42-L109 WeakPolarHBondContact OE2-CD1 3.49Å; E42-L109 WeakPolarHBondContact OE2-CG 3.32Å |
| 43 | F | 88.6 | Confident | 87.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.2 | 175.3 | -179.7 | -112.8 | 0 | 0 | 0 | 109 | I5 V13 F15 C34 V36 C45 I53 F54 I56 L66 | I5-F43 HydrophobicContact CD1-CD2 4.42Å; I5-F43 HydrophobicContact CD1-CE2 3.76Å; I5-F43 HydrophobicContact CG2-CE2 4.33Å; I5-F43 HydrophobicContact CG2-CZ 4.15Å; V13-F43 HydrophobicContact CG1-CE1 3.94Å; V13-F43 HydrophobicContact CG1-CZ 3.77Å; F15-F43 HydrophobicContact CZ-CE1 4.44Å; F15-F43 HydrophobicContact CZ-CE2 4.41Å; F15-F43 HydrophobicContact CZ-CZ 4.3Å; C34-F43 HydrophobicContact CB-CE2 3.77Å; C34-F43 HydrophobicContact CB-CZ 3.64Å; V36-F43 HydrophobicContact CG2-CD2 3.7Å; V36-F43 HydrophobicContact CG2-CE2 4.13Å; F43-C45 WeakPolarHBondContact CE1-SG 3.48Å; F43-I53 CarbonylContact O-C 3.57Å; F43-I53 WeakPolarHBondContact O-CA 3.33Å; F43-F54 HydrophobicContact CB-CB 4.38Å; F43-F54 AromaticContact CD1-CD2 3.96Å; F43-F54 HydrophobicContact CD1-CD2 3.96Å; F43-F54 PolarHBondContact N-O 2.88Å; F43-F54 PolarHBondContact O-N 3.24Å; F43-I56 HydrophobicContact CB-CD1 4.01Å; F43-I56 HydrophobicContact CB-CG1 3.89Å; F43-L66 HydrophobicContact CB-CD2 3.56Å; F43-L66 HydrophobicContact CD1-CD1 3.63Å; F43-L66 HydrophobicContact CD1-CD2 3.83Å; F43-L66 HydrophobicContact CD1-CG 4.41Å; F43-L66 HydrophobicContact CE1-CD1 3.93Å; F43-L66 HydrophobicContact CG-CD1 4.44Å; F43-L66 HydrophobicContact CG-CD2 3.85Å |
| 44 | I | 89.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 131.2 | -171 | -50 | -176.7 | 0 | 0 | 0 | 108.7 | C34 L35 V37 L51 L52 I53 L84 I91 L109 | C34-I44 CarbonylContact C-O 3.56Å; C34-I44 WeakPolarHBondContact CA-O 3.24Å; C34-I44 WeakPolarHBondContact CB-O 3.39Å; L35-I44 PolarHBondContact N-O 2.85Å; L35-I44 PolarHBondContact O-N 2.92Å; V37-I44 HydrophobicContact CG2-CD1 3.63Å; V37-I44 HydrophobicContact CG2-CG1 4.32Å; I44-L51 HydrophobicContact CG2-CB 4.19Å; I44-L51 HydrophobicContact CG2-CD1 4.18Å; I44-L52 CarbonylContact C-O 3.57Å; I44-L52 WeakPolarHBondContact CA-O 3.5Å; I44-I53 HydrophobicContact CG1-CG1 4.2Å; I44-I53 HydrophobicContact CG2-CG1 4.26Å; I44-L84 HydrophobicContact CG2-CD1 4.03Å; I44-I91 HydrophobicContact CD1-CD1 3.31Å; I44-I91 HydrophobicContact CD1-CG1 4.42Å; I44-L109 HydrophobicContact CD1-CD1 3.5Å; I44-L109 VanDerWaalsContact CD1-CD1 3.5Å; I44-L109 HydrophobicContact CG1-CD1 4.43Å |
| 45 | C | 90.9 | Very high | 86.5 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.3 | 177.2 | -62.1 | 0 | 0 | 0 | 0 | 110.3 | V31 T33 F43 L51 L52 | V31-C45 HydrophobicContact CG1-CB 3.9Å; V31-C45 HydrophobicContact CG2-CB 4.35Å; T33-C45 CarbonylContact O-C 3.51Å; T33-C45 WeakPolarHBondContact O-CA 3.38Å; F43-C45 WeakPolarHBondContact CE1-SG 3.48Å; C45-L51 CarbonylContact O-C 3.57Å; C45-L51 WeakPolarHBondContact O-CA 3.38Å; C45-L52 HydrophobicContact CB-CB 4.27Å; C45-L52 PolarHBondContact N-O 3.41Å; C45-L52 PolarHBondContact O-N 3Å |
| 46 | G | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 126.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y32 T33 | Y32-G46 PolarHBondContact N-O 2.83Å; T33-G46 PolarHBondContact O-N 2.74Å |
| 47 | T | 91.6 | Very high | 85.3 | Confident | 4 Ų | 4 | 30.5 Ų | 30.5 | 3% | 0.025 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | -177.7 | -179.9 | 67.4 | 0 | 0 | 0 | 0 | 111.1 | N49 G50 L52 V81 | T47-N49 VanDerWaalsContact C-N 3.27Å; T47-N49 PolarHBondContact O-N 2.77Å; T47-G50 PolarHBondContact N-O 3.26Å; T47-G50 PolarHBondContact OG1-O 3.03Å; T47-L52 HydrophobicContact CG2-CB 4.38Å; T47-L52 HydrophobicContact CG2-CD1 3.54Å; T47-L52 HydrophobicContact CG2-CG 3.7Å; T47-V81 PolarHBondContact O-N 2.85Å |
| 48 | G | 88.4 | Confident | 84.3 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 14% | 0.144 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | D79 V80 | G48-D79 CarbonylContact O-C 3.54Å; G48-D79 VanDerWaalsContact O-CA 3.3Å; G48-D79 WeakPolarHBondContact O-CA 3.36Å; G48-D79 VanDerWaalsContact O-O 3.1Å; G48-V80 PolarHBondContact O-N 2.94Å; G48-V80 VanDerWaalsContact O-N 3.17Å |
| 49 | N | 84.5 | Confident | 83.2 | Confident | 113 Ų | 113 | 39.4 Ų | 39.4 | 60% | 0.604 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.9 | 30.1 | -171.9 | -60.5 | 17 | 0 | 0 | 0 | 112.2 | T47 | T47-N49 VanDerWaalsContact C-N 3.27Å; T47-N49 PolarHBondContact O-N 2.77Å |
| 50 | G | 88.2 | Confident | 82 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 125.9 | -155.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | T47 | T47-G50 PolarHBondContact N-O 3.26Å; T47-G50 PolarHBondContact OG1-O 3.03Å |
| 51 | L | 89.9 | Confident | 80.8 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 144.4 | -173.6 | -48.6 | 178.6 | 0 | 0 | 0 | 112.1 | I44 C45 H73 L74 V81 L84 Y103 | I44-L51 HydrophobicContact CG2-CB 4.19Å; I44-L51 HydrophobicContact CG2-CD1 4.18Å; C45-L51 CarbonylContact O-C 3.57Å; C45-L51 WeakPolarHBondContact O-CA 3.38Å; L51-H73 WeakPolarHBondContact O-CA 3.2Å; L51-H73 PolarHBondContact O-ND1 2.66Å; L51-L74 HydrophobicContact CB-CB 4.2Å; L51-L74 HydrophobicContact CD1-CD1 4.33Å; L51-L74 PolarHBondContact N-O 3.23Å; L51-L74 PolarHBondContact O-N 3.46Å; L51-V81 HydrophobicContact CD2-CB 4.24Å; L51-V81 HydrophobicContact CD2-CG1 3.76Å; L51-V81 HydrophobicContact CD2-CG2 4.09Å; L51-L84 HydrophobicContact CD1-CD2 4.33Å; L51-L84 HydrophobicContact CD2-CD1 4.31Å; L51-L84 HydrophobicContact CD2-CD2 3.77Å; L51-Y103 HydrophobicContact CD1-CD2 4.07Å; L51-Y103 HydrophobicContact CD1-CE1 4.49Å; L51-Y103 HydrophobicContact CD1-CE2 3.45Å; L51-Y103 VanDerWaalsContact CD1-CE2 3.45Å; L51-Y103 HydrophobicContact CG-CE2 4.49Å |
| 52 | L | 88.6 | Confident | 79.3 | Confident | 8 Ų | 8 | 44.9 Ų | 44.9 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.3 | 166.1 | -68.9 | 177 | 0 | 0 | 0 | 109.1 | I44 C45 T47 F54 R72 H73 | I44-L52 CarbonylContact C-O 3.57Å; I44-L52 WeakPolarHBondContact CA-O 3.5Å; C45-L52 HydrophobicContact CB-CB 4.27Å; C45-L52 PolarHBondContact N-O 3.41Å; C45-L52 PolarHBondContact O-N 3Å; T47-L52 HydrophobicContact CG2-CB 4.38Å; T47-L52 HydrophobicContact CG2-CD1 3.54Å; T47-L52 HydrophobicContact CG2-CG 3.7Å; L52-F54 HydrophobicContact CB-CE2 3.9Å; L52-F54 HydrophobicContact CB-CZ 4.21Å; L52-F54 HydrophobicContact CD1-CZ 4.46Å; L52-R72 WeakPolarHBondContact CA-O 3.32Å; L52-H73 HydrophobicContact CD2-CB 4.12Å |
| 53 | I | 88 | Confident | 78.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 135.1 | -179 | -58.9 | 159.6 | 0 | 0 | 0 | 109.1 | E42 F43 I44 K71 R72 L74 L109 | E42-I53 HydrophobicContact CB-CG2 3.98Å; E42-I53 HydrophobicContact CG-CG2 4.11Å; F43-I53 CarbonylContact O-C 3.57Å; F43-I53 WeakPolarHBondContact O-CA 3.33Å; I44-I53 HydrophobicContact CG1-CG1 4.2Å; I44-I53 HydrophobicContact CG2-CG1 4.26Å; I53-K71 WeakPolarHBondContact O-CA 3.33Å; I53-R72 HydrophobicContact CB-CB 4.29Å; I53-R72 PolarHBondContact N-O 2.78Å; I53-R72 PolarHBondContact O-N 2.68Å; I53-L74 HydrophobicContact CD1-CD1 3.26Å; I53-L74 HydrophobicContact CD1-CG 3.75Å; I53-L74 HydrophobicContact CG1-CD1 4.38Å; I53-L109 HydrophobicContact CD1-CB 3.43Å; I53-L109 VanDerWaalsContact CD1-CB 3.43Å; I53-L109 HydrophobicContact CD1-CD1 4.01Å; I53-L109 HydrophobicContact CD1-CG 4.26Å |
| 54 | F | 86.9 | Confident | 76.9 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.009 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 140.8 | 176.3 | -56.6 | -85.5 | 0 | 0 | 0 | 109.3 | L27 E42 F43 L52 L66 V68 K71 | L27-F54 HydrophobicContact CD1-CE2 3.8Å; L27-F54 HydrophobicContact CD1-CZ 3.85Å; L27-F54 HydrophobicContact CD2-CE1 3.99Å; L27-F54 HydrophobicContact CD2-CE2 4.11Å; L27-F54 HydrophobicContact CD2-CZ 3.47Å; L27-F54 VanDerWaalsContact CD2-CZ 3.47Å; L27-F54 HydrophobicContact CG-CZ 4.29Å; E42-F54 CarbonylContact C-O 3.48Å; E42-F54 WeakPolarHBondContact CA-O 3.42Å; F43-F54 HydrophobicContact CB-CB 4.38Å; F43-F54 AromaticContact CD1-CD2 3.96Å; F43-F54 HydrophobicContact CD1-CD2 3.96Å; F43-F54 PolarHBondContact N-O 2.88Å; F43-F54 PolarHBondContact O-N 3.24Å; L52-F54 HydrophobicContact CB-CE2 3.9Å; L52-F54 HydrophobicContact CB-CZ 4.21Å; L52-F54 HydrophobicContact CD1-CZ 4.46Å; F54-L66 HydrophobicContact CB-CB 4.46Å; F54-L66 HydrophobicContact CB-CD2 4.12Å; F54-V68 HydrophobicContact CE1-CG1 4.49Å; F54-K71 HydrophobicContact CD1-CB 3.98Å; F54-K71 HydrophobicContact CE1-CB 3.58Å; F54-K71 HydrophobicContact CZ-CB 4.33Å |
| 55 | T | 83.4 | Confident | 75.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 135.8 | 171 | 54.4 | 0 | 0 | 0 | 0 | 110.2 | N67 | T55-N67 PolarHBondContact O-N 3.26Å; T55-N67 VanDerWaalsContact O-N 3.09Å; T55-N67 WeakPolarHBondContact OG1-CB 3.43Å |
| 56 | I | 80.5 | Confident | 75.1 | Confident | 35 Ų | 35 | 55.3 Ų | 55.3 | 18% | 0.179 | 29% | 0.291 | C | S | . | . | B | Isolated β-bridge | trans | -93.1 | 124.1 | 178.2 | -56.3 | 171.5 | 0 | 0 | 0 | 109 | V36 K41 F43 L66 | V36-I56 HydrophobicContact CG1-CD1 3.79Å; K41-I56 HydrophobicContact CB-CB 4.4Å; K41-I56 WeakPolarHBondContact O-CB 3.34Å; K41-I56 WeakPolarHBondContact O-CG1 3Å; K41-I56 PolarHBondContact O-N 3.28Å; F43-I56 HydrophobicContact CB-CD1 4.01Å; F43-I56 HydrophobicContact CB-CG1 3.89Å; I56-L66 HydrophobicContact CG1-CD2 4.16Å |
| 57 | D | 73.5 | Confident | 74.1 | Confident | 57 Ų | 57 | 57.8 Ų | 57.8 | 31% | 0.305 | 30% | 0.304 | S | S | . | . | trans | -91.3 | 107.8 | 174.3 | -172 | -0.3 | 0 | 0 | 0 | 110.4 | H59 F65 | D57-H59 PolarHBondContact OD1-N 2.84Å; D57-F65 PolarHBondContact N-O 3.08Å; D57-F65 VanDerWaalsContact N-O 3.09Å | ||
| 58 | K | 61.2 | Low | 73.1 | Confident | 123 Ų | 123 | 59.9 Ų | 59.9 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | trans | -82.7 | -14.3 | 177.9 | -77.7 | -170.8 | 176.4 | 178.4 | 0 | 113.5 | R60 | K58-R60 PolarHBondContact O-N 2.79Š| ||
| 59 | H | 55.1 | Low | 72.1 | Confident | 171 Ų | 171 | 67 Ų | 67 | 79% | 0.792 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -80.6 | 1.9 | -173.3 | -70.9 | -70.2 | 0 | 0 | 0 | 113.9 | D57 | D57-H59 PolarHBondContact OD1-N 2.84Š|
| 60 | R | 54.4 | Low | 71.4 | Confident | 153 Ų | 153 | 67.1 Ų | 67.1 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | trans | -114.8 | 115.3 | 177.6 | -75.3 | 178.6 | 170.6 | 175.1 | -1 | 111.2 | K58 T62 | K58-R60 PolarHBondContact O-N 2.79Å; R60-T62 VanDerWaalsContact C-N 3.27Å | ||
| 61 | S | 52.8 | Low | 70.9 | Confident | 115 Ų | 115 | 73.5 Ų | 73.5 | 80% | 0.804 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -74 | -17.5 | 175.2 | 49.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 62 | T | 51.3 | Low | 70.5 | Confident | 113 Ų | 113 | 75.1 Ų | 75.1 | 69% | 0.693 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -144.4 | 140.1 | 178.9 | 54 | 0 | 0 | 0 | 0 | 110.2 | R60 | R60-T62 VanDerWaalsContact C-N 3.27Š|
| 63 | G | 60.6 | Low | 70.4 | Confident | 40 Ų | 40 | 77.3 Ų | 77.3 | 41% | 0.412 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 105.9 | -153.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | F65 | G63-F65 WeakPolarHBondContact O-CD2 3.29Å; G63-F65 PolarHBondContact O-N 2.8Å; G63-F65 VanDerWaalsContact O-N 3.08Å |
| 64 | K | 63.7 | Low | 70.2 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 59% | 0.587 | 39% | 0.389 | S | S | * | . | trans | -66.5 | 100.7 | -170.2 | -67.3 | -174.5 | -178.6 | -178.8 | 0 | 112.8 | D23 Y25 | D23-K64 VanDerWaalsContact OD2-CA 3.29Å; D23-K64 WeakPolarHBondContact OD2-CA 3.14Å; Y25-K64 WeakPolarHBondContact OH-CA 3.41Å; Y25-K64 WeakPolarHBondContact OH-CB 3.48Å | ||
| 65 | F | 68.7 | Low | 69.9 | Low | 42 Ų | 42 | 84.7 Ų | 84.7 | 18% | 0.184 | 42% | 0.421 | C | S | . | . | trans | -66 | -33 | 174.8 | -66.9 | -76.5 | 0 | 0 | 0 | 115.6 | I22 D23 Y25 D57 G63 | I22-F65 HydrophobicContact CB-CE2 3.92Å; I22-F65 HydrophobicContact CB-CZ 4.44Å; I22-F65 HydrophobicContact CD1-CE2 4.32Å; I22-F65 HydrophobicContact CD1-CZ 4.25Å; I22-F65 HydrophobicContact CG2-CE2 3.48Å; I22-F65 VanDerWaalsContact CG2-CE2 3.48Å; I22-F65 HydrophobicContact CG2-CZ 3.71Å; D23-F65 HydrophobicContact CB-CD2 3.63Å; D23-F65 HydrophobicContact CB-CE2 3.87Å; D23-F65 PolarHBondContact OD2-N 2.83Å; Y25-F65 PolarHBondContact OH-N 3.09Å; D57-F65 PolarHBondContact N-O 3.08Å; D57-F65 VanDerWaalsContact N-O 3.09Å; G63-F65 WeakPolarHBondContact O-CD2 3.29Å; G63-F65 PolarHBondContact O-N 2.8Å; G63-F65 VanDerWaalsContact O-N 3.08Å | ||
| 66 | L | 72.7 | Confident | 69.8 | Low | 7 Ų | 7 | 84.1 Ų | 84.1 | 4% | 0.037 | 42% | 0.421 | C | S | . | . | B | Isolated β-bridge | trans | -106.5 | 131.1 | -176.8 | -61 | 179.6 | 0 | 0 | 0 | 110.4 | F15 Y25 F43 F54 I56 V68 | F15-L66 HydrophobicContact CE2-CD1 3.78Å; F15-L66 HydrophobicContact CE2-CG 4.12Å; F15-L66 HydrophobicContact CZ-CD1 3.83Å; F15-L66 HydrophobicContact CZ-CD2 4.23Å; F15-L66 HydrophobicContact CZ-CG 4Å; Y25-L66 HydrophobicContact CD1-CB 4.47Å; Y25-L66 HydrophobicContact CD2-CB 4.36Å; Y25-L66 HydrophobicContact CD2-CD1 3.67Å; Y25-L66 HydrophobicContact CD2-CG 4.14Å; Y25-L66 HydrophobicContact CE1-CB 3.95Å; Y25-L66 HydrophobicContact CE2-CB 3.87Å; Y25-L66 HydrophobicContact CE2-CD1 3.86Å; Y25-L66 HydrophobicContact CE2-CG 3.78Å; Y25-L66 HydrophobicContact CG-CD1 4.12Å; Y25-L66 PolarHBondContact OH-N 3.18Å; F43-L66 HydrophobicContact CB-CD2 3.56Å; F43-L66 HydrophobicContact CD1-CD1 3.63Å; F43-L66 HydrophobicContact CD1-CD2 3.83Å; F43-L66 HydrophobicContact CD1-CG 4.41Å; F43-L66 HydrophobicContact CE1-CD1 3.93Å; F43-L66 HydrophobicContact CG-CD1 4.44Å; F43-L66 HydrophobicContact CG-CD2 3.85Å; F54-L66 HydrophobicContact CB-CB 4.46Å; F54-L66 HydrophobicContact CB-CD2 4.12Å; I56-L66 HydrophobicContact CG1-CD2 4.16Å; L66-V68 VanDerWaalsContact C-N 3.34Å; L66-V68 PolarHBondContact O-N 2.82Å |
| 67 | N | 72.6 | Confident | 70.2 | Confident | 52 Ų | 52 | 83 Ų | 83 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | trans | -78.6 | 85.5 | 166.7 | -166.1 | -1.1 | 0 | 0 | 0 | 110.3 | T55 H69 E70 | T55-N67 PolarHBondContact O-N 3.26Å; T55-N67 VanDerWaalsContact O-N 3.09Å; T55-N67 WeakPolarHBondContact OG1-CB 3.43Å; N67-H69 PolarHBondContact O-N 2.85Å; N67-H69 VanDerWaalsContact O-N 3.16Å; N67-H69 PolarHBondContact OD1-N 3.37Å; N67-E70 HydrophobicContact CB-CB 4.43Å; N67-E70 VanDerWaalsContact ND2-CG 3.32Å; N67-E70 WeakPolarHBondContact ND2-CG 3.19Å; N67-E70 PolarHBondContact ND2-OE2 2.85Å; N67-E70 PolarHBondContact O-N 3.05Å | ||
| 68 | V | 70.9 | Confident | 70.9 | Confident | 47 Ų | 47 | 84.1 Ų | 84.1 | 29% | 0.285 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.8 | 179.9 | -171.4 | 0 | 0 | 0 | 0 | 112.8 | Y25 F54 L66 | Y25-V68 HydrophobicContact CD1-CG2 3.19Å; Y25-V68 HydrophobicContact CE1-CG2 3.37Å; Y25-V68 HydrophobicContact CG-CG2 4.25Å; F54-V68 HydrophobicContact CE1-CG1 4.49Å; L66-V68 VanDerWaalsContact C-N 3.34Å; L66-V68 PolarHBondContact O-N 2.82Å |
| 69 | H | 67.5 | Low | 72.4 | Confident | 165 Ų | 165 | 81.5 Ų | 81.5 | 76% | 0.764 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -30.4 | -178.2 | -60.5 | 73.8 | 0 | 0 | 0 | 111.4 | N67 K71 | N67-H69 PolarHBondContact O-N 2.85Å; N67-H69 VanDerWaalsContact O-N 3.16Å; N67-H69 PolarHBondContact OD1-N 3.37Å; H69-K71 PolarHBondContact O-N 2.94Å |
| 70 | E | 68.6 | Low | 74.2 | Confident | 115 Ų | 115 | 74 Ų | 74 | 54% | 0.537 | 39% | 0.391 | S | S | . | . | S | Bend | trans | -97.7 | 54.9 | 176.5 | -70.2 | -177.8 | 163.2 | 0 | 0 | 111.6 | N67 | N67-E70 HydrophobicContact CB-CB 4.43Å; N67-E70 VanDerWaalsContact ND2-CG 3.32Å; N67-E70 WeakPolarHBondContact ND2-CG 3.19Å; N67-E70 PolarHBondContact ND2-OE2 2.85Å; N67-E70 PolarHBondContact O-N 3.05Å |
| 71 | K | 77.9 | Confident | 76.1 | Confident | 133 Ų | 133 | 66.8 Ų | 66.8 | 58% | 0.578 | 36% | 0.363 | S | S | * | . | trans | -82 | 130.5 | 175.2 | 71.2 | -174.3 | 179.4 | -173.8 | 0 | 111.3 | I53 F54 H69 | I53-K71 WeakPolarHBondContact O-CA 3.33Å; F54-K71 HydrophobicContact CD1-CB 3.98Å; F54-K71 HydrophobicContact CE1-CB 3.58Å; F54-K71 HydrophobicContact CZ-CB 4.33Å; H69-K71 PolarHBondContact O-N 2.94Å | ||
| 72 | R | 82.3 | Confident | 78 | Confident | 36 Ų | 36 | 65.6 Ų | 65.6 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.9 | 172.2 | -76 | 173.7 | -86.5 | 156.8 | 6.4 | 109.5 | E42 L52 I53 L109 D110 | E42-R72 IonicContact OE1-CZ 3.66Å; E42-R72 IonicContact OE1-NH1 2.71Å; E42-R72 PolarHBondContact OE1-NH1 2.89Å; E42-R72 IonicContact OE1-NH2 3.55Å; E42-R72 PolarHBondContact OE1-NH2 3.39Å; L52-R72 WeakPolarHBondContact CA-O 3.32Å; I53-R72 HydrophobicContact CB-CB 4.29Å; I53-R72 PolarHBondContact N-O 2.78Å; I53-R72 PolarHBondContact O-N 2.68Å; R72-L109 PolarHBondContact NH1-O 3.29Å; R72-L109 VanDerWaalsContact NH1-O 3.08Å; R72-D110 VanDerWaalsContact CD-OD1 3.27Å; R72-D110 WeakPolarHBondContact CD-OD1 3.46Å; R72-D110 IonicContact CZ-OD1 3.53Å; R72-D110 IonicContact NE-OD1 3.32Å; R72-D110 IonicContact NH1-OD1 2.85Å; R72-D110 PolarHBondContact NH1-OD1 3.46Å |
| 73 | H | 84.8 | Confident | 80 | Confident | 53 Ų | 53 | 60.6 Ų | 60.6 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.2 | 179 | -177.2 | 45.5 | 0 | 0 | 0 | 109.6 | L51 L52 | L51-H73 WeakPolarHBondContact O-CA 3.2Å; L51-H73 PolarHBondContact O-ND1 2.66Å; L52-H73 HydrophobicContact CD2-CB 4.12Å |
| 74 | L | 83.8 | Confident | 81.6 | Confident | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 115 | 172.2 | -70.1 | 169 | 0 | 0 | 0 | 109.1 | L51 I53 Y103 L109 | L51-L74 HydrophobicContact CB-CB 4.2Å; L51-L74 HydrophobicContact CD1-CD1 4.33Å; L51-L74 PolarHBondContact N-O 3.23Å; L51-L74 PolarHBondContact O-N 3.46Å; I53-L74 HydrophobicContact CD1-CD1 3.26Å; I53-L74 HydrophobicContact CD1-CG 3.75Å; I53-L74 HydrophobicContact CG1-CD1 4.38Å; L74-Y103 HydrophobicContact CB-CE1 4.47Å; L74-Y103 HydrophobicContact CD1-CD1 4.16Å; L74-Y103 HydrophobicContact CD1-CE1 4.2Å; L74-L109 HydrophobicContact CD1-CB 4.49Å; L74-L109 HydrophobicContact CD1-CD2 4.36Å |
| 75 | Q | 82 | Confident | 82.9 | Confident | 147 Ų | 147 | 53.5 Ų | 53.5 | 69% | 0.687 | 27% | 0.27 | S | S | * | . | trans | -84.7 | 144.1 | 169.9 | -67.4 | -177.2 | -12.3 | 0 | 0 | 109.6 | ||||
| 76 | G | 80.4 | Confident | 83.9 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 18% | 0.175 | 27% | 0.268 | C | S | . | . | trans | 176.6 | -43.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I101 K118 | G76-I101 WeakPolarHBondContact O-CD1 3.35Å; G76-K118 PolarHBondContact O-NZ 2.72Å | ||
| 77 | H | 89.4 | Confident | 84.6 | Confident | 11 Ų | 11 | 53 Ų | 53 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | trans | -82.7 | 144.1 | 172.1 | -76.6 | -78.1 | 0 | 0 | 0 | 111.4 | V81 S93 D97 Q99 | H77-V81 HydrophobicContact CB-CG2 3.81Å; H77-V81 VanDerWaalsContact CD2-CG2 3.47Å; H77-V81 WeakPolarHBondContact CD2-CG2 3.3Å; H77-S93 PolarHBondContact CD2-OG 3.34Å; H77-S93 WeakPolarHBondContact NE2-CB 3.32Å; H77-S93 PolarHBondContact NE2-OG 3.01Å; H77-D97 WeakPolarHBondContact CA-OD2 3.32Å; H77-D97 WeakPolarHBondContact CB-OD2 3.2Å; H77-D97 IonicContact CE1-OD1 3.43Å; H77-D97 IonicContact CG-OD2 2.99Å; H77-D97 VanDerWaalsContact ND1-CG 3.33Å; H77-D97 IonicContact ND1-OD1 3.39Å; H77-D97 PolarHBondContact ND1-OD1 2.97Å; H77-D97 IonicContact ND1-OD2 2.7Å; H77-D97 PolarHBondContact ND1-OD2 3.31Å; H77-Q99 PolarHBondContact CE1-O 3.27Å | ||
| 78 | A | 88.9 | Confident | 85.1 | Confident | 82 Ų | 82 | 55.8 Ų | 55.8 | 68% | 0.678 | 28% | 0.282 | S | S | * | . | S | Bend | trans | -89.5 | -14.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D97 | A78-D97 HydrophobicContact CB-CB 4.29Å; A78-D97 PolarHBondContact N-OD2 2.81Å |
| 79 | D | 91.7 | Very high | 85.8 | Confident | 68 Ų | 68 | 57.6 Ų | 57.6 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -146.1 | -174.2 | -176.2 | -159.9 | -1.7 | 0 | 0 | 0 | 110.6 | G48 V81 F96 D97 | G48-D79 CarbonylContact O-C 3.54Å; G48-D79 VanDerWaalsContact O-CA 3.3Å; G48-D79 WeakPolarHBondContact O-CA 3.36Å; G48-D79 VanDerWaalsContact O-O 3.1Å; D79-V81 PolarHBondContact O-N 3.17Å; D79-F96 HydrophobicContact CB-CB 4.16Å; D79-F96 WeakPolarHBondContact OD2-CB 3.13Å; D79-D97 HydrophobicContact CB-CB 4.03Å |
| 80 | V | 93.2 | Very high | 86.8 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.085 | 27% | 0.269 | C | S | . | . | trans | -49.2 | 120.5 | -176 | 173.7 | 0 | 0 | 0 | 0 | 112.3 | Y32 G48 R82 G95 F96 | Y32-V80 HydrophobicContact CD1-CG1 3.76Å; Y32-V80 HydrophobicContact CD2-CB 4.49Å; Y32-V80 HydrophobicContact CD2-CG1 3.45Å; Y32-V80 VanDerWaalsContact CD2-CG1 3.45Å; Y32-V80 HydrophobicContact CD2-CG2 4.45Å; Y32-V80 HydrophobicContact CE1-CG1 3.99Å; Y32-V80 HydrophobicContact CE1-CG2 4.43Å; Y32-V80 HydrophobicContact CE2-CB 4.36Å; Y32-V80 HydrophobicContact CE2-CG1 3.69Å; Y32-V80 HydrophobicContact CE2-CG2 3.84Å; Y32-V80 HydrophobicContact CG-CG1 3.47Å; Y32-V80 VanDerWaalsContact CG-CG1 3.47Å; G48-V80 PolarHBondContact O-N 2.94Å; G48-V80 VanDerWaalsContact O-N 3.17Å; V80-R82 PolarHBondContact O-N 3.06Å; V80-G95 CarbonylContact O-C 3.44Å; V80-G95 WeakPolarHBondContact O-CA 3.28Å; V80-F96 HydrophobicContact CB-CB 4.29Å; V80-F96 HydrophobicContact CB-CD1 4.31Å; V80-F96 HydrophobicContact CB-CD2 4.23Å; V80-F96 HydrophobicContact CB-CG 4.02Å; V80-F96 HydrophobicContact CG1-CD1 4.38Å; V80-F96 PolarHBondContact O-N 2.86Å | ||
| 81 | V | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 109.8 | 168.9 | -174.9 | 0 | 0 | 0 | 0 | 109.1 | Y32 T33 T47 L51 H77 D79 L84 | Y32-V81 WeakPolarHBondContact CB-O 3.26Å; T33-V81 HydrophobicContact CG2-CG1 4.35Å; T47-V81 PolarHBondContact O-N 2.85Å; L51-V81 HydrophobicContact CD2-CB 4.24Å; L51-V81 HydrophobicContact CD2-CG1 3.76Å; L51-V81 HydrophobicContact CD2-CG2 4.09Å; H77-V81 HydrophobicContact CB-CG2 3.81Å; H77-V81 VanDerWaalsContact CD2-CG2 3.47Å; H77-V81 WeakPolarHBondContact CD2-CG2 3.3Å; D79-V81 PolarHBondContact O-N 3.17Å; V81-L84 HydrophobicContact CG1-CD2 4.27Å; V81-L84 HydrophobicContact CG1-CG 4.41Å |
| 82 | R | 93.6 | Very high | 88.5 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 34% | 0.343 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | -28.4 | -173.1 | 178.8 | 58.4 | -173.2 | 89 | -0.5 | 113.6 | T33 V80 G94 F96 | T33-R82 WeakPolarHBondContact CB-O 3.38Å; V80-R82 PolarHBondContact O-N 3.06Å; R82-G94 PolarHBondContact N-O 3.44Å; R82-F96 HydrophobicContact CB-CD1 4.09Å; R82-F96 HydrophobicContact CB-CE1 3.92Å; R82-F96 HydrophobicContact CG-CE1 4.06Å |
| 83 | C | 93.6 | Very high | 89 | Confident | 7 Ų | 7 | 40.2 Ų | 40.2 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 145 | -172.9 | 54.5 | 0 | 0 | 0 | 0 | 111.9 | S93 G94 L130 | C83-S93 WeakPolarHBondContact O-CA 3.48Å; C83-G94 PolarHBondContact N-O 3.45Å; C83-G94 PolarHBondContact O-N 3.26Å; C83-G94 VanDerWaalsContact SG-C 3.54Å; C83-G94 VanDerWaalsContact SG-CA 3.57Å; C83-G94 PolarHBondContact SG-O 3.22Å; C83-L130 HydrophobicContact CB-CB 3.77Å; C83-L130 VanDerWaalsContact SG-CB 3.57Å |
| 84 | L | 93.2 | Very high | 89.5 | Confident | 16 Ų | 16 | 37.7 Ų | 37.7 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 137.1 | -177.4 | -74 | 172.8 | 0 | 0 | 0 | 109.7 | T33 L35 I44 L51 V81 I91 F92 | T33-L84 HydrophobicContact CG2-CB 4.36Å; T33-L84 HydrophobicContact CG2-CD1 3.71Å; T33-L84 HydrophobicContact CG2-CG 3.71Å; L35-L84 HydrophobicContact CB-CB 4.15Å; L35-L84 HydrophobicContact CB-CD1 4.28Å; L35-L84 HydrophobicContact CD2-CB 4.31Å; I44-L84 HydrophobicContact CG2-CD1 4.03Å; L51-L84 HydrophobicContact CD1-CD2 4.33Å; L51-L84 HydrophobicContact CD2-CD1 4.31Å; L51-L84 HydrophobicContact CD2-CD2 3.77Å; V81-L84 HydrophobicContact CG1-CD2 4.27Å; V81-L84 HydrophobicContact CG1-CG 4.41Å; L84-I91 HydrophobicContact CD2-CG2 4.24Å; L84-F92 WeakPolarHBondContact CA-O 3.36Å |
| 85 | V | 92.3 | Very high | 89.9 | Confident | 10 Ų | 10 | 37.2 Ų | 37.2 | 6% | 0.061 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 133.5 | 176.9 | 171.7 | 0 | 0 | 0 | 0 | 109.3 | I91 F92 L130 K132 | V85-I91 CarbonylContact O-C 3.57Å; V85-I91 WeakPolarHBondContact O-CA 3.22Å; V85-F92 PolarHBondContact N-O 2.83Å; V85-F92 PolarHBondContact O-N 2.83Å; V85-L130 HydrophobicContact CB-CD2 3.83Å; V85-L130 HydrophobicContact CB-CG 4.34Å; V85-L130 VanDerWaalsContact CG2-C 3.44Å; V85-L130 HydrophobicContact CG2-CB 3.88Å; V85-L130 HydrophobicContact CG2-CD2 3.71Å; V85-L130 HydrophobicContact CG2-CG 3.76Å; V85-L130 WeakPolarHBondContact CG2-O 3.31Å; V85-K132 HydrophobicContact CG1-CB 3.55Å; V85-K132 HydrophobicContact CG1-CD 4.23Å; V85-K132 HydrophobicContact CG1-CG 4.01Å |
| 86 | S | 89.3 | Confident | 90.6 | Very high | 21 Ų | 21 | 34 Ų | 34 | 15% | 0.147 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 128 | 169.8 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | R90 K132 | S86-R90 WeakPolarHBondContact CA-O 3.47Å; S86-K132 VanDerWaalsContact O-CD 3.3Å; S86-K132 WeakPolarHBondContact O-CD 3.36Å; S86-K132 PolarHBondContact O-NZ 3.41Å; S86-K132 VanDerWaalsContact O-NZ 3.13Å |
| 87 | L | 86.9 | Confident | 91.2 | Very high | 17 Ų | 17 | 34.7 Ų | 34.7 | 9% | 0.089 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 97.4 | 179.7 | -170.6 | 78.1 | 0 | 0 | 0 | 107.9 | N89 R90 F92 K132 K141 V143 D157 | L87-N89 PolarHBondContact O-N 2.9Å; L87-R90 PolarHBondContact N-O 2.89Å; L87-R90 PolarHBondContact O-N 3.49Å; L87-F92 HydrophobicContact CB-CD2 4.33Å; L87-F92 HydrophobicContact CB-CE2 4.02Å; L87-F92 HydrophobicContact CD2-CE2 3.83Å; L87-F92 HydrophobicContact CD2-CZ 4.32Å; L87-K132 HydrophobicContact CD1-CB 3.92Å; L87-K132 HydrophobicContact CD1-CD 4.41Å; L87-K141 HydrophobicContact CD1-CB 4.15Å; L87-K141 HydrophobicContact CD2-CB 3.88Å; L87-K141 HydrophobicContact CG-CB 4.28Å; L87-V143 HydrophobicContact CD2-CG2 4.25Å; L87-D157 HydrophobicContact CD2-CB 3.88Å |
| 88 | E | 83.1 | Confident | 91.3 | Very high | 111 Ų | 111 | 34.3 Ų | 34.3 | 52% | 0.519 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.3 | -108.9 | -176 | -59.8 | -175.3 | 161.9 | 0 | 0 | 113.3 | R90 K141 | E88-R90 VanDerWaalsContact C-N 3.32Å; E88-K141 HydrophobicContact CG-CD 4.48Å; E88-K141 WeakPolarHBondContact OE1-CE 3.49Å; E88-K141 IonicContact OE1-NZ 3.05Å; E88-K141 PolarHBondContact OE1-NZ 2.84Å; E88-K141 WeakPolarHBondContact OE2-CE 3.45Å; E88-K141 IonicContact OE2-NZ 3.25Å; E88-K141 PolarHBondContact OE2-NZ 2.78Å |
| 89 | N | 84.9 | Confident | 91.6 | Very high | 86 Ų | 86 | 31.9 Ų | 31.9 | 46% | 0.46 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | 17.2 | -177.7 | -67.6 | -1.2 | 0 | 0 | 0 | 112.8 | L87 D104 T105 | L87-N89 PolarHBondContact O-N 2.9Å; N89-D104 VanDerWaalsContact O-OD1 3.11Å; N89-T105 WeakPolarHBondContact CA-OG1 3.48Å; N89-T105 PolarHBondContact O-N 3.49Å; N89-T105 PolarHBondContact O-OG1 2.87Å; N89-T105 VanDerWaalsContact O-OG1 3.06Å |
| 90 | R | 88.5 | Confident | 91.7 | Very high | 80 Ų | 80 | 28.8 Ų | 28.8 | 30% | 0.302 | 14% | 0.136 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 151 | 179.8 | -61.4 | -176.3 | -176.6 | 177.7 | 4.3 | 112 | S86 L87 E88 F92 V102 Y103 T105 L116 D157 | S86-R90 WeakPolarHBondContact CA-O 3.47Å; L87-R90 PolarHBondContact N-O 2.89Å; L87-R90 PolarHBondContact O-N 3.49Å; E88-R90 VanDerWaalsContact C-N 3.32Å; R90-F92 HydrophobicContact CB-CE2 3.91Å; R90-V102 HydrophobicContact CB-CG1 4.14Å; R90-V102 HydrophobicContact CG-CG1 4.38Å; R90-Y103 CarbonylContact C-O 3.52Å; R90-Y103 VanDerWaalsContact CA-O 3.22Å; R90-Y103 WeakPolarHBondContact CA-O 3.36Å; R90-T105 PolarHBondContact N-OG1 2.89Å; R90-L116 HydrophobicContact CG-CD1 3.89Å; R90-D157 PolarHBondContact NH1-O 2.98Å |
| 91 | I | 90.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 132 | 168.8 | -64.9 | 154.1 | 0 | 0 | 0 | 108.4 | L35 V37 I44 L84 V85 V102 Y103 T105 L109 | L35-I91 HydrophobicContact CD2-CG2 4.42Å; V37-I91 HydrophobicContact CG2-CD1 4.05Å; V37-I91 HydrophobicContact CG2-CG1 4.36Å; I44-I91 HydrophobicContact CD1-CD1 3.31Å; I44-I91 HydrophobicContact CD1-CG1 4.42Å; L84-I91 HydrophobicContact CD2-CG2 4.24Å; V85-I91 CarbonylContact O-C 3.57Å; V85-I91 WeakPolarHBondContact O-CA 3.22Å; I91-V102 CarbonylContact O-C 3.55Å; I91-V102 WeakPolarHBondContact O-CA 3.39Å; I91-Y103 HydrophobicContact CB-CD2 4.4Å; I91-Y103 HydrophobicContact CG2-CD2 4.33Å; I91-Y103 PolarHBondContact N-O 3.01Å; I91-Y103 PolarHBondContact O-N 2.96Å; I91-T105 HydrophobicContact CB-CG2 4.45Å; I91-T105 HydrophobicContact CD1-CG2 3.25Å; I91-T105 HydrophobicContact CG1-CG2 3.47Å; I91-T105 VanDerWaalsContact CG1-CG2 3.47Å; I91-L109 HydrophobicContact CD1-CD1 3.53Å; I91-L109 HydrophobicContact CD1-CD2 4.22Å; I91-L109 HydrophobicContact CD1-CG 4.49Å |
| 92 | F | 93.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.009 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 132.2 | 173.4 | -65.3 | -106.8 | 0 | 0 | 0 | 108.6 | L84 V85 L87 R90 I100 I101 V102 L130 V143 | L84-F92 WeakPolarHBondContact CA-O 3.36Å; V85-F92 PolarHBondContact N-O 2.83Å; V85-F92 PolarHBondContact O-N 2.83Å; L87-F92 HydrophobicContact CB-CD2 4.33Å; L87-F92 HydrophobicContact CB-CE2 4.02Å; L87-F92 HydrophobicContact CD2-CE2 3.83Å; L87-F92 HydrophobicContact CD2-CZ 4.32Å; R90-F92 HydrophobicContact CB-CE2 3.91Å; F92-I100 HydrophobicContact CD1-CG2 4.14Å; F92-I101 CarbonylContact C-O 3.56Å; F92-I101 WeakPolarHBondContact CA-O 3.31Å; F92-V102 HydrophobicContact CD1-CB 4.42Å; F92-V102 HydrophobicContact CD1-CG1 4.29Å; F92-V102 HydrophobicContact CD1-CG2 3.54Å; F92-V102 HydrophobicContact CE1-CB 4.29Å; F92-V102 HydrophobicContact CE1-CG1 3.92Å; F92-V102 HydrophobicContact CE1-CG2 3.4Å; F92-V102 VanDerWaalsContact CE1-CG2 3.4Å; F92-V102 HydrophobicContact CE2-CG1 4.15Å; F92-V102 HydrophobicContact CG-CG2 4.41Å; F92-V102 HydrophobicContact CZ-CG1 3.83Å; F92-V102 HydrophobicContact CZ-CG2 4.17Å; F92-L130 HydrophobicContact CB-CD2 3.53Å; F92-V143 HydrophobicContact CD1-CB 4.43Å; F92-V143 HydrophobicContact CD1-CG1 4.33Å; F92-V143 HydrophobicContact CD1-CG2 3.92Å; F92-V143 HydrophobicContact CD2-CG2 3.86Å; F92-V143 HydrophobicContact CE1-CG2 3.88Å; F92-V143 HydrophobicContact CE2-CG2 3.83Å; F92-V143 HydrophobicContact CG-CG1 4.41Å; F92-V143 HydrophobicContact CG-CG2 3.92Å; F92-V143 HydrophobicContact CZ-CG2 3.85Å |
| 93 | S | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 143.2 | 172.4 | 62.2 | 0 | 0 | 0 | 0 | 110.6 | H77 C83 I100 I101 Y103 | H77-S93 PolarHBondContact CD2-OG 3.34Å; H77-S93 WeakPolarHBondContact NE2-CB 3.32Å; H77-S93 PolarHBondContact NE2-OG 3.01Å; C83-S93 WeakPolarHBondContact O-CA 3.48Å; S93-I100 VanDerWaalsContact O-CA 3.27Å; S93-I100 WeakPolarHBondContact O-CA 3.45Å; S93-I101 PolarHBondContact N-O 3.32Å; S93-I101 PolarHBondContact O-N 3.35Å; S93-I101 PolarHBondContact OG-O 3Å; S93-Y103 VanDerWaalsContact OG-CE2 3.26Å; S93-Y103 WeakPolarHBondContact OG-CE2 3.47Å |
| 94 | G | 94.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 146.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | R82 C83 Q99 | R82-G94 PolarHBondContact N-O 3.44Å; C83-G94 PolarHBondContact N-O 3.45Å; C83-G94 PolarHBondContact O-N 3.26Å; C83-G94 VanDerWaalsContact SG-C 3.54Å; C83-G94 VanDerWaalsContact SG-CA 3.57Å; C83-G94 PolarHBondContact SG-O 3.22Å; G94-Q99 WeakPolarHBondContact CA-O 3.45Å |
| 95 | G | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | -169.5 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | V80 D97 G98 I127 | V80-G95 CarbonylContact O-C 3.44Å; V80-G95 WeakPolarHBondContact O-CA 3.28Å; G95-D97 PolarHBondContact O-N 3.06Å; G95-G98 PolarHBondContact O-N 3.44Å; G95-I127 PolarHBondContact O-N 3.22Å |
| 96 | F | 94.9 | Very high | 89.4 | Confident | 80 Ų | 80 | 26.8 Ų | 26.8 | 35% | 0.351 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -17.4 | -178.3 | -78.9 | 27.9 | 0 | 0 | 0 | 112.8 | D79 V80 R82 G98 I126 | D79-F96 HydrophobicContact CB-CB 4.16Å; D79-F96 WeakPolarHBondContact OD2-CB 3.13Å; V80-F96 HydrophobicContact CB-CB 4.29Å; V80-F96 HydrophobicContact CB-CD1 4.31Å; V80-F96 HydrophobicContact CB-CD2 4.23Å; V80-F96 HydrophobicContact CB-CG 4.02Å; V80-F96 HydrophobicContact CG1-CD1 4.38Å; V80-F96 PolarHBondContact O-N 2.86Å; R82-F96 HydrophobicContact CB-CD1 4.09Å; R82-F96 HydrophobicContact CB-CE1 3.92Å; R82-F96 HydrophobicContact CG-CE1 4.06Å; F96-G98 PolarHBondContact O-N 2.86Å; F96-I126 HydrophobicContact CB-CG1 4.16Å; F96-I126 HydrophobicContact CB-CG2 4.38Å; F96-I126 HydrophobicContact CD1-CB 4.38Å; F96-I126 HydrophobicContact CD1-CG1 4.41Å; F96-I126 HydrophobicContact CD1-CG2 3.22Å; F96-I126 HydrophobicContact CD2-CD1 3.98Å; F96-I126 HydrophobicContact CD2-CG1 4.41Å; F96-I126 HydrophobicContact CD2-CG2 4.47Å; F96-I126 HydrophobicContact CE1-CG2 3.42Å; F96-I126 VanDerWaalsContact CE1-CG2 3.42Å; F96-I126 HydrophobicContact CE2-CD1 4.23Å; F96-I126 HydrophobicContact CG-CD1 4.16Å; F96-I126 HydrophobicContact CG-CG1 4.09Å; F96-I126 HydrophobicContact CG-CG2 3.78Å; F96-I126 HydrophobicContact CZ-CG2 4.16Å |
| 97 | D | 93.5 | Very high | 88.5 | Confident | 32 Ų | 32 | 27.8 Ų | 27.8 | 17% | 0.171 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -2.2 | 172.3 | 60.1 | 2.3 | 0 | 0 | 0 | 113.9 | H77 A78 D79 G95 Q99 | H77-D97 WeakPolarHBondContact CA-OD2 3.32Å; H77-D97 WeakPolarHBondContact CB-OD2 3.2Å; H77-D97 IonicContact CE1-OD1 3.43Å; H77-D97 IonicContact CG-OD2 2.99Å; H77-D97 VanDerWaalsContact ND1-CG 3.33Å; H77-D97 IonicContact ND1-OD1 3.39Å; H77-D97 PolarHBondContact ND1-OD1 2.97Å; H77-D97 IonicContact ND1-OD2 2.7Å; H77-D97 PolarHBondContact ND1-OD2 3.31Å; A78-D97 HydrophobicContact CB-CB 4.29Å; A78-D97 PolarHBondContact N-OD2 2.81Å; D79-D97 HydrophobicContact CB-CB 4.03Å; G95-D97 PolarHBondContact O-N 3.06Å; D97-Q99 HydrophobicContact CB-CG 4.1Å; D97-Q99 WeakPolarHBondContact O-CG 3.49Å; D97-Q99 PolarHBondContact O-N 2.92Å; D97-Q99 PolarHBondContact OD1-N 3.33Å |
| 98 | G | 92.8 | Very high | 87.6 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | S | Bend | trans | 73.3 | 9.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | G95 F96 A122 H123 G125 | G95-G98 PolarHBondContact O-N 3.44Å; F96-G98 PolarHBondContact O-N 2.86Å; G98-A122 PolarHBondContact O-N 2.88Å; G98-H123 PolarHBondContact O-N 2.88Å; G98-G125 WeakPolarHBondContact CA-O 3.42Å |
| 99 | Q | 93.6 | Very high | 86.7 | Confident | 31 Ų | 31 | 29 Ų | 29 | 15% | 0.145 | 15% | 0.152 | C | C | . | . | trans | -100.3 | 145.9 | -174.2 | -48.7 | -167.8 | -11.5 | 0 | 0 | 111.3 | H77 G94 D97 K118 I119 P120 I127 | H77-Q99 PolarHBondContact CE1-O 3.27Å; G94-Q99 WeakPolarHBondContact CA-O 3.45Å; D97-Q99 HydrophobicContact CB-CG 4.1Å; D97-Q99 WeakPolarHBondContact O-CG 3.49Å; D97-Q99 PolarHBondContact O-N 2.92Å; D97-Q99 PolarHBondContact OD1-N 3.33Å; Q99-K118 VanDerWaalsContact OE1-NZ 3.08Å; Q99-I119 VanDerWaalsContact CA-O 3.28Å; Q99-I119 WeakPolarHBondContact CA-O 3.45Å; Q99-P120 WeakPolarHBondContact CG-O 3.43Å; Q99-I127 WeakPolarHBondContact O-CD1 2.91Å | ||
| 100 | I | 94.3 | Very high | 85.9 | Confident | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 127.8 | 164.3 | -64.5 | 174.9 | 0 | 0 | 0 | 108.2 | F92 S93 I119 A122 I127 L130 W155 | F92-I100 HydrophobicContact CD1-CG2 4.14Å; S93-I100 VanDerWaalsContact O-CA 3.27Å; S93-I100 WeakPolarHBondContact O-CA 3.45Å; I100-I119 HydrophobicContact CB-CB 4.31Å; I100-I119 HydrophobicContact CB-CD1 4.27Å; I100-I119 HydrophobicContact CG2-CD1 4.38Å; I100-I119 PolarHBondContact N-O 2.91Å; I100-I119 VanDerWaalsContact N-O 3.08Å; I100-I119 PolarHBondContact O-N 3.02Å; I100-A122 HydrophobicContact CB-CB 4.02Å; I100-A122 HydrophobicContact CD1-CB 3.7Å; I100-A122 HydrophobicContact CG1-CB 3.57Å; I100-I127 HydrophobicContact CD1-CD1 4.29Å; I100-I127 HydrophobicContact CG1-CD1 3.57Å; I100-L130 HydrophobicContact CD1-CD1 4.25Å; I100-W155 HydrophobicContact CD1-CD2 4.49Å; I100-W155 HydrophobicContact CD1-CZ2 4.17Å |
| 101 | I | 92.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 132.5 | 175.9 | -52.9 | -177.5 | 0 | 0 | 0 | 108.8 | G76 F92 S93 Y103 I115 K118 | G76-I101 WeakPolarHBondContact O-CD1 3.35Å; F92-I101 CarbonylContact C-O 3.56Å; F92-I101 WeakPolarHBondContact CA-O 3.31Å; S93-I101 PolarHBondContact N-O 3.32Å; S93-I101 PolarHBondContact O-N 3.35Å; S93-I101 PolarHBondContact OG-O 3Å; I101-Y103 HydrophobicContact CB-CE2 4.05Å; I101-Y103 HydrophobicContact CG2-CD1 4.41Å; I101-Y103 HydrophobicContact CG2-CD2 4.39Å; I101-Y103 HydrophobicContact CG2-CE1 3.83Å; I101-Y103 HydrophobicContact CG2-CE2 3.81Å; I101-Y103 VanDerWaalsContact CG2-CZ 3.49Å; I101-I115 HydrophobicContact CG2-CG1 4.21Å; I101-I115 HydrophobicContact CG2-CG2 3.75Å; I101-K118 HydrophobicContact CD1-CD 4.46Å; I101-K118 HydrophobicContact CG1-CG 4.26Å |
| 102 | V | 91.3 | Very high | 82.9 | Confident | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 123 | 177.9 | -168.2 | 0 | 0 | 0 | 0 | 108.5 | R90 I91 F92 I115 L116 L117 | R90-V102 HydrophobicContact CB-CG1 4.14Å; R90-V102 HydrophobicContact CG-CG1 4.38Å; I91-V102 CarbonylContact O-C 3.55Å; I91-V102 WeakPolarHBondContact O-CA 3.39Å; F92-V102 HydrophobicContact CD1-CB 4.42Å; F92-V102 HydrophobicContact CD1-CG1 4.29Å; F92-V102 HydrophobicContact CD1-CG2 3.54Å; F92-V102 HydrophobicContact CE1-CB 4.29Å; F92-V102 HydrophobicContact CE1-CG1 3.92Å; F92-V102 HydrophobicContact CE1-CG2 3.4Å; F92-V102 VanDerWaalsContact CE1-CG2 3.4Å; F92-V102 HydrophobicContact CE2-CG1 4.15Å; F92-V102 HydrophobicContact CG-CG2 4.41Å; F92-V102 HydrophobicContact CZ-CG1 3.83Å; F92-V102 HydrophobicContact CZ-CG2 4.17Å; V102-I115 CarbonylContact O-C 3.58Å; V102-L116 HydrophobicContact CB-CB 4.41Å; V102-L116 HydrophobicContact CG1-CB 4.39Å; V102-L116 HydrophobicContact CG1-CD1 4.31Å; V102-L116 PolarHBondContact O-N 2.97Å; V102-L117 HydrophobicContact CB-CB 4.06Å; V102-L117 HydrophobicContact CG2-CB 4Å; V102-L117 HydrophobicContact CG2-CD2 4.29Å; V102-L117 PolarHBondContact N-O 2.64Å; V102-L117 PolarHBondContact O-N 3.36Å |
| 103 | Y | 88.1 | Confident | 81 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 143.8 | 176.1 | -53.7 | -87.5 | 0 | 0 | 0 | 110.1 | L51 L74 R90 I91 S93 I101 R114 I115 | L51-Y103 HydrophobicContact CD1-CD2 4.07Å; L51-Y103 HydrophobicContact CD1-CE1 4.49Å; L51-Y103 HydrophobicContact CD1-CE2 3.45Å; L51-Y103 VanDerWaalsContact CD1-CE2 3.45Å; L51-Y103 HydrophobicContact CG-CE2 4.49Å; L74-Y103 HydrophobicContact CB-CE1 4.47Å; L74-Y103 HydrophobicContact CD1-CD1 4.16Å; L74-Y103 HydrophobicContact CD1-CE1 4.2Å; R90-Y103 CarbonylContact C-O 3.52Å; R90-Y103 VanDerWaalsContact CA-O 3.22Å; R90-Y103 WeakPolarHBondContact CA-O 3.36Å; I91-Y103 HydrophobicContact CB-CD2 4.4Å; I91-Y103 HydrophobicContact CG2-CD2 4.33Å; I91-Y103 PolarHBondContact N-O 3.01Å; I91-Y103 PolarHBondContact O-N 2.96Å; S93-Y103 VanDerWaalsContact OG-CE2 3.26Å; S93-Y103 WeakPolarHBondContact OG-CE2 3.47Å; I101-Y103 HydrophobicContact CB-CE2 4.05Å; I101-Y103 HydrophobicContact CG2-CD1 4.41Å; I101-Y103 HydrophobicContact CG2-CD2 4.39Å; I101-Y103 HydrophobicContact CG2-CE1 3.83Å; I101-Y103 HydrophobicContact CG2-CE2 3.81Å; I101-Y103 VanDerWaalsContact CG2-CZ 3.49Å; Y103-R114 WeakPolarHBondContact CA-O 3.07Å; Y103-I115 HydrophobicContact CD1-CG1 3.99Å; Y103-I115 HydrophobicContact CE1-CD1 4.47Å; Y103-I115 HydrophobicContact CE1-CG1 3.74Å |
| 104 | D | 85.8 | Confident | 79.9 | Confident | 24 Ų | 24 | 43.3 Ų | 43.3 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 138.2 | 169.9 | -166.1 | -0.5 | 0 | 0 | 0 | 110.6 | N89 C106 L109 R114 L116 | N89-D104 VanDerWaalsContact O-OD1 3.11Å; D104-C106 VanDerWaalsContact OD1-CB 3.32Å; D104-C106 WeakPolarHBondContact OD1-CB 3.46Å; D104-C106 PolarHBondContact OD1-N 3.08Å; D104-C106 PolarHBondContact OD1-SG 2.81Å; D104-L109 WeakPolarHBondContact O-CD2 3.39Å; D104-R114 HydrophobicContact CB-CB 3.54Å; D104-R114 HydrophobicContact CB-CG 4.2Å; D104-R114 PolarHBondContact N-O 2.98Å; D104-R114 WeakPolarHBondContact OD2-CD 3.38Å; D104-R114 IonicContact OD2-CZ 2.81Å; D104-R114 IonicContact OD2-NE 3.68Å; D104-R114 IonicContact OD2-NH1 3.85Å; D104-R114 PolarHBondContact OD2-NH1 3.2Å; D104-L116 HydrophobicContact CB-CD1 3.68Å; D104-L116 HydrophobicContact CB-CD2 3.88Å; D104-L116 HydrophobicContact CB-CG 3.7Å |
| 105 | T | 78.5 | Confident | 79.1 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 4% | 0.037 | 26% | 0.257 | C | S | . | . | trans | -109.4 | 12.5 | 172.3 | 65.1 | 0 | 0 | 0 | 0 | 113 | L40 N89 R90 I91 G107 L109 | L40-T105 HydrophobicContact CD1-CG2 4.09Å; L40-T105 WeakPolarHBondContact CD2-O 3.38Å; N89-T105 WeakPolarHBondContact CA-OG1 3.48Å; N89-T105 PolarHBondContact O-N 3.49Å; N89-T105 PolarHBondContact O-OG1 2.87Å; N89-T105 VanDerWaalsContact O-OG1 3.06Å; R90-T105 PolarHBondContact N-OG1 2.89Å; I91-T105 HydrophobicContact CB-CG2 4.45Å; I91-T105 HydrophobicContact CD1-CG2 3.25Å; I91-T105 HydrophobicContact CG1-CG2 3.47Å; I91-T105 VanDerWaalsContact CG1-CG2 3.47Å; T105-G107 PolarHBondContact O-N 3.36Å; T105-L109 HydrophobicContact CG2-CD2 4.46Å | ||
| 106 | C | 75.4 | Confident | 78.6 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 43% | 0.432 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -69.3 | 78 | 169.2 | -64.1 | 0 | 0 | 0 | 0 | 110.9 | D104 R114 | D104-C106 VanDerWaalsContact OD1-CB 3.32Å; D104-C106 WeakPolarHBondContact OD1-CB 3.46Å; D104-C106 PolarHBondContact OD1-N 3.08Å; D104-C106 PolarHBondContact OD1-SG 2.81Å; C106-R114 VanDerWaalsContact CB-NH1 3.33Å; C106-R114 PolarHBondContact O-NH1 3.01Å; C106-R114 VanDerWaalsContact O-NH1 3.12Å |
| 107 | G | 71.1 | Confident | 78.3 | Confident | 41 Ų | 41 | 50 Ų | 50 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 117.6 | -165.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L40 T105 | L40-G107 VanDerWaalsContact CD1-O 3.26Å; L40-G107 WeakPolarHBondContact CD1-O 3.27Å; L40-G107 WeakPolarHBondContact CD2-O 3.28Å; T105-G107 PolarHBondContact O-N 3.36Å |
| 108 | K | 67.3 | Low | 78.1 | Confident | 150 Ų | 150 | 53 Ų | 53 | 65% | 0.652 | 29% | 0.286 | S | S | * | . | trans | -70.7 | 132.7 | 176.3 | -82.3 | -174.4 | -180 | -176.7 | 0 | 110.4 | D110 | K108-D110 PolarHBondContact O-N 3.17Š| ||
| 109 | L | 65.1 | Low | 78.1 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | trans | -71.9 | 89.6 | 174.6 | -76.2 | 162.4 | 0 | 0 | 0 | 110.5 | L40 E42 I44 I53 R72 L74 I91 D104 T105 | L40-L109 HydrophobicContact CD1-CD1 4.08Å; L40-L109 HydrophobicContact CD1-CG 4.05Å; E42-L109 WeakPolarHBondContact OE2-CB 3.27Å; E42-L109 VanDerWaalsContact OE2-CD1 3.24Å; E42-L109 WeakPolarHBondContact OE2-CD1 3.49Å; E42-L109 WeakPolarHBondContact OE2-CG 3.32Å; I44-L109 HydrophobicContact CD1-CD1 3.5Å; I44-L109 VanDerWaalsContact CD1-CD1 3.5Å; I44-L109 HydrophobicContact CG1-CD1 4.43Å; I53-L109 HydrophobicContact CD1-CB 3.43Å; I53-L109 VanDerWaalsContact CD1-CB 3.43Å; I53-L109 HydrophobicContact CD1-CD1 4.01Å; I53-L109 HydrophobicContact CD1-CG 4.26Å; R72-L109 PolarHBondContact NH1-O 3.29Å; R72-L109 VanDerWaalsContact NH1-O 3.08Å; L74-L109 HydrophobicContact CD1-CB 4.49Å; L74-L109 HydrophobicContact CD1-CD2 4.36Å; I91-L109 HydrophobicContact CD1-CD1 3.53Å; I91-L109 HydrophobicContact CD1-CD2 4.22Å; I91-L109 HydrophobicContact CD1-CG 4.49Å; D104-L109 WeakPolarHBondContact O-CD2 3.39Å; T105-L109 HydrophobicContact CG2-CD2 4.46Å | ||
| 110 | D | 66.6 | Low | 77.8 | Confident | 59 Ų | 59 | 56.2 Ų | 56.2 | 32% | 0.316 | 31% | 0.308 | S | S | . | . | trans | -100.3 | 147 | 179.5 | -67.6 | -25.3 | 0 | 0 | 0 | 112.8 | R72 K108 T112 T113 | R72-D110 VanDerWaalsContact CD-OD1 3.27Å; R72-D110 WeakPolarHBondContact CD-OD1 3.46Å; R72-D110 IonicContact CZ-OD1 3.53Å; R72-D110 IonicContact NE-OD1 3.32Å; R72-D110 IonicContact NH1-OD1 2.85Å; R72-D110 PolarHBondContact NH1-OD1 3.46Å; K108-D110 PolarHBondContact O-N 3.17Å; D110-T112 PolarHBondContact O-N 2.9Å; D110-T112 VanDerWaalsContact O-N 3.1Å; D110-T113 WeakPolarHBondContact CB-OG1 3.33Å; D110-T113 PolarHBondContact O-N 3.31Å; D110-T113 PolarHBondContact O-OG1 3.33Å | ||
| 111 | P | 59.7 | Low | 77.6 | Confident | 80 Ų | 80 | 66 Ų | 66 | 52% | 0.519 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -30.3 | -175.8 | -24.9 | 33.3 | 0 | 0 | 0 | 115.3 | ||
| 112 | T | 57.7 | Low | 77.6 | Confident | 134 Ų | 134 | 66 Ų | 66 | 82% | 0.822 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -14.2 | -177.5 | 49.2 | 0 | 0 | 0 | 0 | 112.8 | D110 | D110-T112 PolarHBondContact O-N 2.9Å; D110-T112 VanDerWaalsContact O-N 3.1Å |
| 113 | T | 53 | Low | 77.8 | Confident | 66 Ų | 66 | 66.2 Ų | 66.2 | 41% | 0.405 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -128.3 | 116.1 | -167.1 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | D110 | D110-T113 WeakPolarHBondContact CB-OG1 3.33Å; D110-T113 PolarHBondContact O-N 3.31Å; D110-T113 PolarHBondContact O-OG1 3.33Å |
| 114 | R | 69 | Low | 78.1 | Confident | 130 Ų | 130 | 72.9 Ų | 72.9 | 49% | 0.491 | 38% | 0.381 | S | S | . | . | trans | 83.9 | 54.7 | 152.2 | -52.2 | -170.9 | -170.5 | 172.6 | 6.7 | 118.7 | Y103 D104 C106 L116 | Y103-R114 WeakPolarHBondContact CA-O 3.07Å; D104-R114 HydrophobicContact CB-CB 3.54Å; D104-R114 HydrophobicContact CB-CG 4.2Å; D104-R114 PolarHBondContact N-O 2.98Å; D104-R114 WeakPolarHBondContact OD2-CD 3.38Å; D104-R114 IonicContact OD2-CZ 2.81Å; D104-R114 IonicContact OD2-NE 3.68Å; D104-R114 IonicContact OD2-NH1 3.85Å; D104-R114 PolarHBondContact OD2-NH1 3.2Å; C106-R114 VanDerWaalsContact CB-NH1 3.33Å; C106-R114 PolarHBondContact O-NH1 3.01Å; C106-R114 VanDerWaalsContact O-NH1 3.12Å; R114-L116 PolarHBondContact O-N 2.99Å | ||
| 115 | I | 77.9 | Confident | 78.4 | Confident | 82 Ų | 82 | 72.7 Ų | 72.7 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 110.8 | 139.3 | -64 | 171.7 | 0 | 0 | 0 | 106.4 | I101 V102 Y103 K118 | I101-I115 HydrophobicContact CG2-CG1 4.21Å; I101-I115 HydrophobicContact CG2-CG2 3.75Å; V102-I115 CarbonylContact O-C 3.58Å; Y103-I115 HydrophobicContact CD1-CG1 3.99Å; Y103-I115 HydrophobicContact CE1-CD1 4.47Å; Y103-I115 HydrophobicContact CE1-CG1 3.74Å; I115-K118 HydrophobicContact CG2-CB 4.45Å |
| 116 | L | 83.1 | Confident | 79.1 | Confident | 76 Ų | 76 | 74.7 Ų | 74.7 | 40% | 0.398 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | -44.8 | 177.5 | -70.8 | 175.1 | 0 | 0 | 0 | 111.2 | R90 V102 D104 R114 | R90-L116 HydrophobicContact CG-CD1 3.89Å; V102-L116 HydrophobicContact CB-CB 4.41Å; V102-L116 HydrophobicContact CG1-CB 4.39Å; V102-L116 HydrophobicContact CG1-CD1 4.31Å; V102-L116 PolarHBondContact O-N 2.97Å; D104-L116 HydrophobicContact CB-CD1 3.68Å; D104-L116 HydrophobicContact CB-CD2 3.88Å; D104-L116 HydrophobicContact CB-CG 3.7Å; R114-L116 PolarHBondContact O-N 2.99Å |
| 117 | L | 88.5 | Confident | 80.1 | Confident | 63 Ų | 63 | 71.6 Ų | 71.6 | 33% | 0.33 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 140.6 | -175.8 | -171 | 81.2 | 0 | 0 | 0 | 109.5 | V102 I119 E158 | V102-L117 HydrophobicContact CB-CB 4.06Å; V102-L117 HydrophobicContact CG2-CB 4Å; V102-L117 HydrophobicContact CG2-CD2 4.29Å; V102-L117 PolarHBondContact N-O 2.64Å; V102-L117 PolarHBondContact O-N 3.36Å; L117-I119 HydrophobicContact CD2-CD1 3.8Å; L117-I119 HydrophobicContact CD2-CG1 3.61Å; L117-I119 HydrophobicContact CG-CG1 4.13Å; L117-E158 WeakPolarHBondContact CD2-O 3.22Å |
| 118 | K | 89.8 | Confident | 81.2 | Confident | 95 Ų | 95 | 70 Ų | 70 | 41% | 0.413 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 120 | 170.5 | -178.1 | 165.6 | -177.9 | 167.3 | 0 | 108.5 | G76 Q99 I101 I115 P120 | G76-K118 PolarHBondContact O-NZ 2.72Å; Q99-K118 VanDerWaalsContact OE1-NZ 3.08Å; I101-K118 HydrophobicContact CD1-CD 4.46Å; I101-K118 HydrophobicContact CG1-CG 4.26Å; I115-K118 HydrophobicContact CG2-CB 4.45Å; K118-P120 WeakPolarHBondContact O-CD 3.34Å |
| 119 | I | 92.5 | Very high | 82.5 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 12% | 0.123 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 90.9 | 177.4 | -49.8 | 175.6 | 0 | 0 | 0 | 107.2 | Q99 I100 L117 R121 A122 W155 G159 | Q99-I119 VanDerWaalsContact CA-O 3.28Å; Q99-I119 WeakPolarHBondContact CA-O 3.45Å; I100-I119 HydrophobicContact CB-CB 4.31Å; I100-I119 HydrophobicContact CB-CD1 4.27Å; I100-I119 HydrophobicContact CG2-CD1 4.38Å; I100-I119 PolarHBondContact N-O 2.91Å; I100-I119 VanDerWaalsContact N-O 3.08Å; I100-I119 PolarHBondContact O-N 3.02Å; L117-I119 HydrophobicContact CD2-CD1 3.8Å; L117-I119 HydrophobicContact CD2-CG1 3.61Å; L117-I119 HydrophobicContact CG-CG1 4.13Å; I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 2.8Å; I119-A122 HydrophobicContact CB-CB 4.2Å; I119-A122 HydrophobicContact CG2-CB 3.73Å; I119-W155 HydrophobicContact CD1-CE3 4.02Å; I119-W155 HydrophobicContact CD1-CZ3 4.09Å; I119-W155 HydrophobicContact CG2-CH2 4.26Å; I119-W155 HydrophobicContact CG2-CZ3 4.18Å; I119-G159 VanDerWaalsContact CD1-O 3.27Å; I119-G159 WeakPolarHBondContact CD1-O 3.4Å |
| 120 | P | 88 | Confident | 84 | Confident | 77 Ų | 77 | 64 Ų | 64 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -18.1 | -169 | 29 | -37.1 | 0 | 0 | 0 | 114.7 | Q99 K118 | Q99-P120 WeakPolarHBondContact CG-O 3.43Å; K118-P120 WeakPolarHBondContact O-CD 3.34Å |
| 121 | R | 89.1 | Confident | 85.3 | Confident | 208 Ų | 208 | 62.4 Ų | 62.4 | 79% | 0.785 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -129.4 | 54.2 | 173.8 | -67.4 | -173.7 | -177.4 | 169.5 | -0.1 | 109.4 | I119 H123 | I119-R121 VanDerWaalsContact C-N 3.31Å; I119-R121 PolarHBondContact O-N 2.8Å; R121-H123 PolarHBondContact O-N 3.13Å |
| 122 | A | 92.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -61.7 | -41.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | G98 I100 I119 I127 K153 W155 | G98-A122 PolarHBondContact O-N 2.88Å; I100-A122 HydrophobicContact CB-CB 4.02Å; I100-A122 HydrophobicContact CD1-CB 3.7Å; I100-A122 HydrophobicContact CG1-CB 3.57Å; I119-A122 HydrophobicContact CB-CB 4.2Å; I119-A122 HydrophobicContact CG2-CB 3.73Å; A122-I127 HydrophobicContact CB-CD1 4.31Å; A122-K153 VanDerWaalsContact O-CD 3.31Å; A122-K153 WeakPolarHBondContact O-CD 2.91Å; A122-K153 PolarHBondContact O-NZ 2.8Å; A122-W155 HydrophobicContact CB-CH2 3.98Å; A122-W155 HydrophobicContact CB-CZ2 3.88Å; A122-W155 WeakPolarHBondContact O-CZ2 3.3Å |
| 123 | H | 95.6 | Very high | 88.6 | Confident | 5 Ų | 5 | 57.7 Ų | 57.7 | 2% | 0.023 | 29% | 0.285 | C | S | . | . | trans | -134 | 156.3 | 172.7 | -79.4 | -86.6 | 0 | 0 | 0 | 111 | G98 R121 G125 I127 S145 S147 D149 | G98-H123 PolarHBondContact O-N 2.88Å; R121-H123 PolarHBondContact O-N 3.13Å; H123-G125 PolarHBondContact O-N 2.86Å; H123-I127 HydrophobicContact CB-CG1 4.17Å; H123-S145 PolarHBondContact CD2-OG 2.77Å; H123-S145 WeakPolarHBondContact NE2-CB 3.17Å; H123-S145 PolarHBondContact NE2-OG 3.29Å; H123-S147 WeakPolarHBondContact CB-OG 3.2Å; H123-S147 WeakPolarHBondContact ND1-CB 3.37Å; H123-D149 VanDerWaalsContact CB-OD2 3.27Å; H123-D149 WeakPolarHBondContact CB-OD2 3.49Å; H123-D149 IonicContact CE1-OD2 3.45Å; H123-D149 IonicContact CG-OD2 3.76Å; H123-D149 IonicContact ND1-OD1 2.88Å; H123-D149 PolarHBondContact ND1-OD1 3.47Å; H123-D149 IonicContact ND1-OD2 3.74Å; H123-D149 PolarHBondContact ND1-OD2 2.81Å | ||
| 124 | D | 92.7 | Very high | 90.1 | Very high | 141 Ų | 141 | 58.7 Ų | 58.7 | 75% | 0.754 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -85.4 | 4.6 | 175.5 | -66.5 | -41.1 | 0 | 0 | 0 | 112.3 | D149 | D124-D149 PolarHBondContact N-OD2 2.88Š|
| 125 | G | 92.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 52.6 Ų | 52.6 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -144.5 | -175.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G98 H123 I127 S147 | G98-G125 WeakPolarHBondContact CA-O 3.42Å; H123-G125 PolarHBondContact O-N 2.86Å; G125-I127 PolarHBondContact O-N 3.48Å; G125-S147 PolarHBondContact O-OG 3.14Å |
| 126 | I | 94.7 | Very high | 90.2 | Very high | 47 Ų | 47 | 52 Ų | 52 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | trans | -62.8 | 126.2 | -179.4 | -67.4 | 168.1 | 0 | 0 | 0 | 110.6 | F96 S128 S147 F148 | F96-I126 HydrophobicContact CB-CG1 4.16Å; F96-I126 HydrophobicContact CB-CG2 4.38Å; F96-I126 HydrophobicContact CD1-CB 4.38Å; F96-I126 HydrophobicContact CD1-CG1 4.41Å; F96-I126 HydrophobicContact CD1-CG2 3.22Å; F96-I126 HydrophobicContact CD2-CD1 3.98Å; F96-I126 HydrophobicContact CD2-CG1 4.41Å; F96-I126 HydrophobicContact CD2-CG2 4.47Å; F96-I126 HydrophobicContact CE1-CG2 3.42Å; F96-I126 VanDerWaalsContact CE1-CG2 3.42Å; F96-I126 HydrophobicContact CE2-CD1 4.23Å; F96-I126 HydrophobicContact CG-CD1 4.16Å; F96-I126 HydrophobicContact CG-CG1 4.09Å; F96-I126 HydrophobicContact CG-CG2 3.78Å; F96-I126 HydrophobicContact CZ-CG2 4.16Å; I126-S128 PolarHBondContact O-N 2.8Å; I126-S147 CarbonylContact O-C 3.52Å; I126-S147 VanDerWaalsContact O-CA 3.25Å; I126-S147 WeakPolarHBondContact O-CA 3.17Å; I126-S147 PolarHBondContact O-OG 2.96Å; I126-S147 VanDerWaalsContact O-OG 3.1Å; I126-F148 HydrophobicContact CB-CB 4.24Å; I126-F148 HydrophobicContact CB-CD2 4.22Å; I126-F148 HydrophobicContact CB-CG 4.18Å; I126-F148 HydrophobicContact CG2-CD2 4.28Å; I126-F148 PolarHBondContact O-N 3.07Å | ||
| 127 | I | 96.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 112.1 | 171.8 | -57 | 170.8 | 0 | 0 | 0 | 108.3 | G95 Q99 I100 A122 H123 G125 | G95-I127 PolarHBondContact O-N 3.22Å; Q99-I127 WeakPolarHBondContact O-CD1 2.91Å; I100-I127 HydrophobicContact CD1-CD1 4.29Å; I100-I127 HydrophobicContact CG1-CD1 3.57Å; A122-I127 HydrophobicContact CB-CD1 4.31Å; H123-I127 HydrophobicContact CB-CG1 4.17Å; G125-I127 PolarHBondContact O-N 3.48Å |
| 128 | S | 94.2 | Very high | 88.8 | Confident | 8 Ų | 8 | 54.5 Ų | 54.5 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | -34 | -174.3 | 65 | 0 | 0 | 0 | 0 | 112.7 | I126 G146 V172 | I126-S128 PolarHBondContact O-N 2.8Å; S128-G146 PolarHBondContact N-O 3.45Å; S128-G146 PolarHBondContact OG-O 2.85Å; S128-G146 VanDerWaalsContact OG-O 3.09Å; S128-V172 VanDerWaalsContact CB-O 3.3Å; S128-V172 WeakPolarHBondContact CB-O 3.46Å; S128-V172 PolarHBondContact OG-O 3.4Å |
| 129 | C | 94.7 | Very high | 88.3 | Confident | 14 Ų | 14 | 57.4 Ų | 57.4 | 10% | 0.095 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.1 | 152.6 | -174.7 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | G146 | C129-G146 PolarHBondContact N-O 2.89Å; C129-G146 PolarHBondContact O-N 3.25Å |
| 130 | L | 95.7 | Very high | 88 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 134.4 | 178.7 | -165 | 80.5 | 0 | 0 | 0 | 107.8 | C83 V85 F92 I100 V143 I144 | C83-L130 HydrophobicContact CB-CB 3.77Å; C83-L130 VanDerWaalsContact SG-CB 3.57Å; V85-L130 HydrophobicContact CB-CD2 3.83Å; V85-L130 HydrophobicContact CB-CG 4.34Å; V85-L130 VanDerWaalsContact CG2-C 3.44Å; V85-L130 HydrophobicContact CG2-CB 3.88Å; V85-L130 HydrophobicContact CG2-CD2 3.71Å; V85-L130 HydrophobicContact CG2-CG 3.76Å; V85-L130 WeakPolarHBondContact CG2-O 3.31Å; F92-L130 HydrophobicContact CB-CD2 3.53Å; I100-L130 HydrophobicContact CD1-CD1 4.25Å; L130-V143 HydrophobicContact CD1-CG1 3.45Å; L130-V143 VanDerWaalsContact CD1-CG1 3.45Å; L130-V143 HydrophobicContact CD2-CG1 4.03Å; L130-V143 HydrophobicContact CG-CG1 3.63Å; L130-I144 CarbonylContact C-O 3.55Å; L130-I144 WeakPolarHBondContact CA-O 3.33Å |
| 131 | V | 94.9 | Very high | 88 | Confident | 26 Ų | 26 | 59.8 Ų | 59.8 | 16% | 0.158 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 139.9 | -177.5 | 179.2 | 0 | 0 | 0 | 0 | 109.6 | V143 I144 I175 H177 | V131-V143 CarbonylContact O-C 3.47Å; V131-V143 WeakPolarHBondContact O-CA 3.27Å; V131-I144 PolarHBondContact N-O 2.98Å; V131-I144 PolarHBondContact O-N 2.87Å; V131-I175 HydrophobicContact CB-CG2 4.29Å; V131-I175 HydrophobicContact CG2-CB 3.89Å; V131-I175 HydrophobicContact CG2-CG2 3.97Å; V131-I175 VanDerWaalsContact CG2-O 3.26Å; V131-I175 WeakPolarHBondContact CG2-O 3.5Å; V131-H177 HydrophobicContact CG1-CB 3.61Å |
| 132 | K | 93.2 | Very high | 88.2 | Confident | 114 Ų | 114 | 50 Ų | 50 | 50% | 0.496 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 136.1 | 166.7 | 56.7 | -176.3 | 178.1 | -173.9 | 0 | 110.7 | V85 S86 L87 L142 | V85-K132 HydrophobicContact CG1-CB 3.55Å; V85-K132 HydrophobicContact CG1-CD 4.23Å; V85-K132 HydrophobicContact CG1-CG 4.01Å; S86-K132 VanDerWaalsContact O-CD 3.3Å; S86-K132 WeakPolarHBondContact O-CD 3.36Å; S86-K132 PolarHBondContact O-NZ 3.41Å; S86-K132 VanDerWaalsContact O-NZ 3.13Å; L87-K132 HydrophobicContact CD1-CB 3.92Å; L87-K132 HydrophobicContact CD1-CD 4.41Å; K132-L142 WeakPolarHBondContact CA-O 3.48Å |
| 133 | A | 91.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 157.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | L142 I144 H177 V198 | A133-L142 HydrophobicContact CB-CB 4.17Å; A133-L142 PolarHBondContact N-O 2.89Å; A133-L142 PolarHBondContact O-N 2.99Å; A133-I144 HydrophobicContact CB-CD1 3.75Å; A133-I144 HydrophobicContact CB-CG1 4.12Å; A133-H177 HydrophobicContact CB-CB 4.37Å; A133-V198 HydrophobicContact CB-CG1 3.92Å |
| 134 | H | 86.4 | Confident | 88.3 | Confident | 86 Ų | 86 | 49.8 Ų | 49.8 | 40% | 0.398 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 125.2 | 172.7 | 57.7 | 69.8 | 0 | 0 | 0 | 106.9 | V136 Q140 H177 | H134-V136 PolarHBondContact O-N 3.19Å; H134-Q140 WeakPolarHBondContact CA-O 3.43Å; H134-H177 AromaticContact CD2-CE1 3.98Å; H134-H177 AromaticContact NE2-CE1 3.87Å |
| 135 | N | 77.2 | Confident | 88.5 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.011 | 21% | 0.212 | C | C | . | . | trans | -73.4 | 125.8 | 172.9 | -177.7 | -19.1 | 0 | 0 | 0 | 108 | Y137 D138 H139 Q140 Q199 | N135-Y137 VanDerWaalsContact C-N 3.29Å; N135-Y137 PolarHBondContact O-N 3Å; N135-Y137 PolarHBondContact OD1-N 2.77Å; N135-D138 PolarHBondContact ND2-OD2 3.47Å; N135-D138 PolarHBondContact OD1-N 2.78Å; N135-H139 VanDerWaalsContact O-CA 3.31Å; N135-H139 WeakPolarHBondContact O-CA 3.28Å; N135-H139 PolarHBondContact O-N 3.03Å; N135-Q140 HydrophobicContact CB-CB 4.38Å; N135-Q140 PolarHBondContact N-O 3.14Å; N135-Q199 VanDerWaalsContact ND2-CG 3.32Å; N135-Q199 WeakPolarHBondContact ND2-CG 3.22Å; N135-Q199 PolarHBondContact ND2-NE2 2.79Å | ||
| 136 | V | 71.3 | Confident | 88.7 | Confident | 69 Ų | 69 | 42 Ų | 42 | 42% | 0.418 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -33 | -178.3 | 179.8 | 0 | 0 | 0 | 0 | 111.5 | H134 | H134-V136 PolarHBondContact O-N 3.19Š|
| 137 | Y | 68 | Low | 88.8 | Confident | 117 Ų | 117 | 39.8 Ų | 39.8 | 46% | 0.459 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -48.4 | -172.2 | -60.8 | -84.6 | 0 | 0 | 0 | 113 | N135 H294 | N135-Y137 VanDerWaalsContact C-N 3.29Å; N135-Y137 PolarHBondContact O-N 3Å; N135-Y137 PolarHBondContact OD1-N 2.77Å; Y137-H294 AromaticContact CE1-CE1 3.83Å; Y137-H294 AromaticContact CE1-NE2 3.29Å; Y137-H294 VanDerWaalsContact CE1-NE2 3.29Å; Y137-H294 WeakPolarHBondContact CE1-NE2 3.29Å; Y137-H294 AromaticContact CE2-CD2 3.66Å; Y137-H294 AromaticContact CE2-NE2 3.71Å; Y137-H294 AromaticContact CZ-CD2 3.47Å; Y137-H294 VanDerWaalsContact CZ-CD2 3.47Å; Y137-H294 AromaticContact CZ-CE1 3.68Å; Y137-H294 AromaticContact CZ-NE2 3.1Å; Y137-H294 PolarHBondContact OH-CD2 3.07Å; Y137-H294 PolarHBondContact OH-CE1 2.72Å; Y137-H294 VanDerWaalsContact OH-CE1 3.29Å; Y137-H294 PolarHBondContact OH-NE2 2.91Å; Y137-H294 VanDerWaalsContact OH-NE2 3.15Å |
| 138 | D | 74.1 | Confident | 88.8 | Confident | 76 Ų | 76 | 44.2 Ų | 44.2 | 41% | 0.406 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -3.4 | -177.5 | -65 | -37.2 | 0 | 0 | 0 | 113 | N135 Q140 Q199 | N135-D138 PolarHBondContact ND2-OD2 3.47Å; N135-D138 PolarHBondContact OD1-N 2.78Å; D138-Q140 HydrophobicContact CB-CB 4.36Å; D138-Q140 HydrophobicContact CB-CG 3.84Å; D138-Q140 PolarHBondContact O-N 3.36Å; D138-Q199 PolarHBondContact OD2-NE2 3.38Å |
| 139 | H | 78.7 | Confident | 88.8 | Confident | 155 Ų | 155 | 45.3 Ų | 45.3 | 72% | 0.718 | 22% | 0.215 | S | C | * | . | trans | 52.5 | 17.6 | -170.6 | -59.8 | -51.2 | 0 | 0 | 0 | 114.2 | N135 | N135-H139 VanDerWaalsContact O-CA 3.31Å; N135-H139 WeakPolarHBondContact O-CA 3.28Å; N135-H139 PolarHBondContact O-N 3.03Å | ||
| 140 | Q | 85.6 | Confident | 88.9 | Confident | 87 Ų | 87 | 50.8 Ų | 50.8 | 41% | 0.407 | 23% | 0.234 | S | C | . | . | trans | -70 | 134.6 | 178.1 | -75 | -178.2 | 0 | 0 | 0 | 110.3 | H134 N135 D138 L142 | H134-Q140 WeakPolarHBondContact CA-O 3.43Å; N135-Q140 HydrophobicContact CB-CB 4.38Å; N135-Q140 PolarHBondContact N-O 3.14Å; D138-Q140 HydrophobicContact CB-CB 4.36Å; D138-Q140 HydrophobicContact CB-CG 3.84Å; D138-Q140 PolarHBondContact O-N 3.36Å; Q140-L142 HydrophobicContact CB-CD2 4.38Å | ||
| 141 | K | 89 | Confident | 88.9 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 28% | 0.283 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 123.5 | 179.7 | -61.8 | 168.4 | -167.9 | 153.1 | 0 | 108.3 | L87 E88 D157 | L87-K141 HydrophobicContact CD1-CB 4.15Å; L87-K141 HydrophobicContact CD2-CB 3.88Å; L87-K141 HydrophobicContact CG-CB 4.28Å; E88-K141 HydrophobicContact CG-CD 4.48Å; E88-K141 WeakPolarHBondContact OE1-CE 3.49Å; E88-K141 IonicContact OE1-NZ 3.05Å; E88-K141 PolarHBondContact OE1-NZ 2.84Å; E88-K141 WeakPolarHBondContact OE2-CE 3.45Å; E88-K141 IonicContact OE2-NZ 3.25Å; E88-K141 PolarHBondContact OE2-NZ 2.78Å; K141-D157 HydrophobicContact CB-CB 4.24Å; K141-D157 PolarHBondContact O-N 2.94Å; K141-D157 VanDerWaalsContact O-N 3.14Å |
| 142 | L | 93.3 | Very high | 89 | Confident | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 152.2 | -169.4 | -57.2 | 178.4 | 0 | 0 | 0 | 110.4 | K132 A133 Q140 I154 W155 N156 M162 V198 | K132-L142 WeakPolarHBondContact CA-O 3.48Å; A133-L142 HydrophobicContact CB-CB 4.17Å; A133-L142 PolarHBondContact N-O 2.89Å; A133-L142 PolarHBondContact O-N 2.99Å; Q140-L142 HydrophobicContact CB-CD2 4.38Å; L142-I154 HydrophobicContact CB-CG2 4.25Å; L142-I154 HydrophobicContact CD1-CG2 4.06Å; L142-I154 HydrophobicContact CD2-CG2 4.41Å; L142-I154 HydrophobicContact CG-CG2 4.48Å; L142-W155 CarbonylContact C-O 3.53Å; L142-W155 VanDerWaalsContact CA-O 3.27Å; L142-W155 WeakPolarHBondContact CA-O 3.36Å; L142-N156 HydrophobicContact CD2-CB 4.48Å; L142-M162 HydrophobicContact CD2-CE 4.09Å; L142-M162 HydrophobicContact CD2-SD 3.22Å; L142-M162 WeakPolarHBondContact CD2-SD 3.31Å; L142-V198 HydrophobicContact CD1-CG1 3.77Å |
| 143 | V | 94.7 | Very high | 89.1 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.006 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 128.8 | 170.1 | -179.8 | 0 | 0 | 0 | 0 | 107.4 | L87 F92 L130 V131 W155 | L87-V143 HydrophobicContact CD2-CG2 4.25Å; F92-V143 HydrophobicContact CD1-CB 4.43Å; F92-V143 HydrophobicContact CD1-CG1 4.33Å; F92-V143 HydrophobicContact CD1-CG2 3.92Å; F92-V143 HydrophobicContact CD2-CG2 3.86Å; F92-V143 HydrophobicContact CE1-CG2 3.88Å; F92-V143 HydrophobicContact CE2-CG2 3.83Å; F92-V143 HydrophobicContact CG-CG1 4.41Å; F92-V143 HydrophobicContact CG-CG2 3.92Å; F92-V143 HydrophobicContact CZ-CG2 3.85Å; L130-V143 HydrophobicContact CD1-CG1 3.45Å; L130-V143 VanDerWaalsContact CD1-CG1 3.45Å; L130-V143 HydrophobicContact CD2-CG1 4.03Å; L130-V143 HydrophobicContact CG-CG1 3.63Å; V131-V143 CarbonylContact O-C 3.47Å; V131-V143 WeakPolarHBondContact O-CA 3.27Å; V143-W155 HydrophobicContact CB-CB 4.48Å; V143-W155 PolarHBondContact N-O 3.31Å; V143-W155 VanDerWaalsContact O-CD1 3.25Å; V143-W155 PolarHBondContact O-N 2.95Å |
| 144 | I | 96.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.9 | 179.7 | -51.7 | -179.6 | 0 | 0 | 0 | 107.7 | L130 V131 A133 V152 K153 I154 I175 F184 | L130-I144 CarbonylContact C-O 3.55Å; L130-I144 WeakPolarHBondContact CA-O 3.33Å; V131-I144 PolarHBondContact N-O 2.98Å; V131-I144 PolarHBondContact O-N 2.87Å; A133-I144 HydrophobicContact CB-CD1 3.75Å; A133-I144 HydrophobicContact CB-CG1 4.12Å; I144-V152 HydrophobicContact CG2-CG1 3.43Å; I144-V152 VanDerWaalsContact CG2-CG1 3.43Å; I144-K153 WeakPolarHBondContact CA-O 3.45Å; I144-I154 HydrophobicContact CG1-CG1 4.28Å; I144-I154 HydrophobicContact CG1-CG2 4.46Å; I144-I154 HydrophobicContact CG2-CG1 4.42Å; I144-I175 HydrophobicContact CG2-CD1 3.86Å; I144-I175 HydrophobicContact CG2-CG2 4.23Å; I144-F184 HydrophobicContact CD1-CB 4.01Å; I144-F184 HydrophobicContact CD1-CD1 3.51Å; I144-F184 HydrophobicContact CD1-CD2 3.99Å; I144-F184 HydrophobicContact CD1-CE1 3.85Å; I144-F184 HydrophobicContact CD1-CE2 4.3Å; I144-F184 HydrophobicContact CD1-CG 3.55Å; I144-F184 HydrophobicContact CD1-CZ 4.21Å; I144-F184 HydrophobicContact CG2-CD2 4.33Å; I144-F184 HydrophobicContact CG2-CE2 4.14Å |
| 145 | S | 96.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 137.6 | 176.4 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | H123 V152 K153 W155 | H123-S145 PolarHBondContact CD2-OG 2.77Å; H123-S145 WeakPolarHBondContact NE2-CB 3.17Å; H123-S145 PolarHBondContact NE2-OG 3.29Å; S145-V152 CarbonylContact O-C 3.6Å; S145-V152 VanDerWaalsContact O-CA 3.28Å; S145-V152 WeakPolarHBondContact O-CA 3.47Å; S145-K153 PolarHBondContact N-O 3.26Å; S145-K153 PolarHBondContact O-N 2.87Å; S145-K153 PolarHBondContact OG-O 3.1Å; S145-W155 PolarHBondContact OG-NE1 3.17Å |
| 146 | G | 96.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 141.5 | 171 | 0 | 0 | 0 | 0 | 0 | 110.4 | S128 C129 | S128-G146 PolarHBondContact N-O 3.45Å; S128-G146 PolarHBondContact OG-O 2.85Å; S128-G146 VanDerWaalsContact OG-O 3.09Å; C129-G146 PolarHBondContact N-O 2.89Å; C129-G146 PolarHBondContact O-N 3.25Å |
| 147 | S | 96.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 165.3 | -174 | 171.3 | 0 | 0 | 0 | 0 | 113.6 | H123 G125 I126 D149 R150 H151 V172 | H123-S147 WeakPolarHBondContact CB-OG 3.2Å; H123-S147 WeakPolarHBondContact ND1-CB 3.37Å; G125-S147 PolarHBondContact O-OG 3.14Å; I126-S147 CarbonylContact O-C 3.52Å; I126-S147 VanDerWaalsContact O-CA 3.25Å; I126-S147 WeakPolarHBondContact O-CA 3.17Å; I126-S147 PolarHBondContact O-OG 2.96Å; I126-S147 VanDerWaalsContact O-OG 3.1Å; S147-D149 WeakPolarHBondContact CB-OD1 3.27Å; S147-D149 PolarHBondContact O-N 2.6Å; S147-D149 VanDerWaalsContact OG-CG 3.25Å; S147-D149 PolarHBondContact OG-N 3.03Å; S147-D149 PolarHBondContact OG-OD1 2.72Å; S147-D149 PolarHBondContact OG-OD2 2.92Å; S147-R150 PolarHBondContact O-N 2.86Å; S147-H151 PolarHBondContact N-O 3.15Å; S147-V172 PolarHBondContact O-N 3.45Å; S147-V172 VanDerWaalsContact O-N 3.17Å |
| 148 | F | 95.6 | Very high | 92 | Very high | 92 Ų | 92 | 43.4 Ų | 43.4 | 40% | 0.404 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.5 | 174.2 | -83.1 | -128.9 | 0 | 0 | 0 | 113.2 | I126 R150 V171 | I126-F148 HydrophobicContact CB-CB 4.24Å; I126-F148 HydrophobicContact CB-CD2 4.22Å; I126-F148 HydrophobicContact CB-CG 4.18Å; I126-F148 HydrophobicContact CG2-CD2 4.28Å; I126-F148 PolarHBondContact O-N 3.07Å; F148-R150 PolarHBondContact O-N 2.69Å; F148-V171 HydrophobicContact CB-CB 4.41Å; F148-V171 HydrophobicContact CB-CG1 4.12Å; F148-V171 HydrophobicContact CD1-CB 4.24Å; F148-V171 HydrophobicContact CD1-CG1 3.95Å; F148-V171 HydrophobicContact CD1-CG2 4.47Å; F148-V171 HydrophobicContact CD2-CB 4.35Å; F148-V171 HydrophobicContact CE1-CG2 4.41Å; F148-V171 HydrophobicContact CG-CB 4.08Å; F148-V171 HydrophobicContact CG-CG1 4.06Å; F148-V171 HydrophobicContact CZ-CG2 4.5Å; F148-V171 WeakPolarHBondContact O-CG1 3.45Å |
| 149 | D | 95 | Very high | 92.6 | Very high | 31 Ų | 31 | 40.3 Ų | 40.3 | 17% | 0.166 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -0.9 | 167.6 | 64.7 | 7.1 | 0 | 0 | 0 | 113.3 | H123 D124 S147 H151 | H123-D149 VanDerWaalsContact CB-OD2 3.27Å; H123-D149 WeakPolarHBondContact CB-OD2 3.49Å; H123-D149 IonicContact CE1-OD2 3.45Å; H123-D149 IonicContact CG-OD2 3.76Å; H123-D149 IonicContact ND1-OD1 2.88Å; H123-D149 PolarHBondContact ND1-OD1 3.47Å; H123-D149 IonicContact ND1-OD2 3.74Å; H123-D149 PolarHBondContact ND1-OD2 2.81Å; D124-D149 PolarHBondContact N-OD2 2.88Å; S147-D149 WeakPolarHBondContact CB-OD1 3.27Å; S147-D149 PolarHBondContact O-N 2.6Å; S147-D149 VanDerWaalsContact OG-CG 3.25Å; S147-D149 PolarHBondContact OG-N 3.03Å; S147-D149 PolarHBondContact OG-OD1 2.72Å; S147-D149 PolarHBondContact OG-OD2 2.92Å; D149-H151 VanDerWaalsContact C-N 3.25Å; D149-H151 PolarHBondContact O-CD2 3.35Å; D149-H151 PolarHBondContact O-N 3.29Å; D149-H151 WeakPolarHBondContact OD1-CB 3.35Å; D149-H151 IonicContact OD1-CD2 2.85Å; D149-H151 IonicContact OD1-CG 3.45Å; D149-H151 PolarHBondContact OD1-N 3.36Å; D149-H151 IonicContact OD2-CD2 2.74Å |
| 150 | R | 95.5 | Very high | 93.2 | Very high | 130 Ų | 130 | 38.1 Ų | 38.1 | 49% | 0.491 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 67 | 25.8 | -177.5 | -43.3 | -178.2 | -173.2 | 170.5 | 2.3 | 113 | S147 F148 F168 | S147-R150 PolarHBondContact O-N 2.86Å; F148-R150 PolarHBondContact O-N 2.69Å; R150-F168 HydrophobicContact CB-CB 4.25Å; R150-F168 VanDerWaalsContact O-CD2 3.27Å; R150-F168 WeakPolarHBondContact O-CD2 3.13Å |
| 151 | H | 96.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 37.8 Ų | 37.8 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | trans | -113.8 | 147.4 | 171.9 | -63.3 | -67.3 | 0 | 0 | 0 | 111.4 | S147 D149 T164 I165 E166 | S147-H151 PolarHBondContact N-O 3.15Å; D149-H151 VanDerWaalsContact C-N 3.25Å; D149-H151 PolarHBondContact O-CD2 3.35Å; D149-H151 PolarHBondContact O-N 3.29Å; D149-H151 WeakPolarHBondContact OD1-CB 3.35Å; D149-H151 IonicContact OD1-CD2 2.85Å; D149-H151 IonicContact OD1-CG 3.45Å; D149-H151 PolarHBondContact OD1-N 3.36Å; D149-H151 IonicContact OD2-CD2 2.74Å; H151-T164 HydrophobicContact CB-CG2 4.43Å; H151-I165 WeakPolarHBondContact CA-O 3.47Å; H151-E166 IonicContact CE1-OE1 3.55Å | ||
| 152 | V | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 130.1 | 162.2 | 176 | 0 | 0 | 0 | 0 | 107.5 | I144 S145 I165 F168 V172 I175 F184 V186 | I144-V152 HydrophobicContact CG2-CG1 3.43Å; I144-V152 VanDerWaalsContact CG2-CG1 3.43Å; S145-V152 CarbonylContact O-C 3.6Å; S145-V152 VanDerWaalsContact O-CA 3.28Å; S145-V152 WeakPolarHBondContact O-CA 3.47Å; V152-I165 HydrophobicContact CB-CB 4.23Å; V152-I165 HydrophobicContact CG1-CD1 4.42Å; V152-I165 PolarHBondContact N-O 2.95Å; V152-I165 VanDerWaalsContact N-O 3.12Å; V152-I165 PolarHBondContact O-N 3.47Å; V152-F168 HydrophobicContact CB-CE2 4.04Å; V152-F168 HydrophobicContact CB-CZ 4.29Å; V152-F168 HydrophobicContact CG2-CD2 4.49Å; V152-F168 HydrophobicContact CG2-CE2 3.65Å; V152-F168 HydrophobicContact CG2-CZ 3.67Å; V152-V172 HydrophobicContact CG2-CG1 4.15Å; V152-V172 HydrophobicContact CG2-CG2 3.75Å; V152-I175 HydrophobicContact CG1-CD1 3.8Å; V152-I175 HydrophobicContact CG2-CD1 3.97Å; V152-F184 HydrophobicContact CG1-CE2 4.02Å; V152-V186 HydrophobicContact CG2-CG1 3.82Å; V152-V186 HydrophobicContact CG2-CG2 4.13Å |
| 153 | K | 96.7 | Very high | 93.6 | Very high | 27 Ų | 27 | 40.6 Ų | 40.6 | 12% | 0.117 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 137.5 | 178.9 | -71.4 | -178.6 | -177.5 | -178.7 | 0 | 110.3 | A122 I144 S145 W155 L161 H163 T164 | A122-K153 VanDerWaalsContact O-CD 3.31Å; A122-K153 WeakPolarHBondContact O-CD 2.91Å; A122-K153 PolarHBondContact O-NZ 2.8Å; I144-K153 WeakPolarHBondContact CA-O 3.45Å; S145-K153 PolarHBondContact N-O 3.26Å; S145-K153 PolarHBondContact O-N 2.87Å; S145-K153 PolarHBondContact OG-O 3.1Å; K153-W155 HydrophobicContact CB-CZ2 3.76Å; K153-W155 HydrophobicContact CD-CH2 4.09Å; K153-W155 HydrophobicContact CD-CZ2 3.59Å; K153-W155 HydrophobicContact CG-CZ2 4.32Å; K153-L161 HydrophobicContact CB-CD1 3.68Å; K153-L161 HydrophobicContact CD-CD1 3.89Å; K153-L161 HydrophobicContact CD-CD2 4.47Å; K153-L161 HydrophobicContact CG-CD1 3.87Å; K153-H163 CarbonylContact C-O 3.53Å; K153-H163 WeakPolarHBondContact CA-O 3.26Å; K153-T164 HydrophobicContact CG-CG2 4.12Å |
| 154 | I | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.9 | 176.2 | -53.8 | -178.9 | 0 | 0 | 0 | 107.7 | L142 I144 M162 H163 I165 F184 | L142-I154 HydrophobicContact CB-CG2 4.25Å; L142-I154 HydrophobicContact CD1-CG2 4.06Å; L142-I154 HydrophobicContact CD2-CG2 4.41Å; L142-I154 HydrophobicContact CG-CG2 4.48Å; I144-I154 HydrophobicContact CG1-CG1 4.28Å; I144-I154 HydrophobicContact CG1-CG2 4.46Å; I144-I154 HydrophobicContact CG2-CG1 4.42Å; I154-M162 PolarHBondContact O-N 3.49Å; I154-H163 HydrophobicContact CB-CB 4.22Å; I154-H163 HydrophobicContact CD1-CB 4.17Å; I154-H163 HydrophobicContact CG1-CB 4.31Å; I154-H163 PolarHBondContact N-O 3.18Å; I154-H163 PolarHBondContact O-N 2.93Å; I154-I165 HydrophobicContact CD1-CD1 4.35Å; I154-F184 HydrophobicContact CD1-CE1 3.89Å; I154-F184 HydrophobicContact CD1-CZ 3.95Å; I154-F184 HydrophobicContact CG1-CZ 4.48Å |
| 155 | W | 94.1 | Very high | 93.5 | Very high | 13 Ų | 13 | 43.9 Ų | 43.9 | 5% | 0.049 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.6 | -177.8 | -47.4 | 85.2 | 0 | 0 | 0 | 109.1 | I100 I119 A122 L142 V143 S145 K153 Q160 L161 | I100-W155 HydrophobicContact CD1-CD2 4.49Å; I100-W155 HydrophobicContact CD1-CZ2 4.17Å; I119-W155 HydrophobicContact CD1-CE3 4.02Å; I119-W155 HydrophobicContact CD1-CZ3 4.09Å; I119-W155 HydrophobicContact CG2-CH2 4.26Å; I119-W155 HydrophobicContact CG2-CZ3 4.18Å; A122-W155 HydrophobicContact CB-CH2 3.98Å; A122-W155 HydrophobicContact CB-CZ2 3.88Å; A122-W155 WeakPolarHBondContact O-CZ2 3.3Å; L142-W155 CarbonylContact C-O 3.53Å; L142-W155 VanDerWaalsContact CA-O 3.27Å; L142-W155 WeakPolarHBondContact CA-O 3.36Å; V143-W155 HydrophobicContact CB-CB 4.48Å; V143-W155 PolarHBondContact N-O 3.31Å; V143-W155 VanDerWaalsContact O-CD1 3.25Å; V143-W155 PolarHBondContact O-N 2.95Å; S145-W155 PolarHBondContact OG-NE1 3.17Å; K153-W155 HydrophobicContact CB-CZ2 3.76Å; K153-W155 HydrophobicContact CD-CH2 4.09Å; K153-W155 HydrophobicContact CD-CZ2 3.59Å; K153-W155 HydrophobicContact CG-CZ2 4.32Å; W155-Q160 VanDerWaalsContact CA-O 3.28Å; W155-Q160 WeakPolarHBondContact CA-O 3.45Å; W155-L161 HydrophobicContact CD2-CD1 4.21Å; W155-L161 HydrophobicContact CE3-CB 3.9Å; W155-L161 HydrophobicContact CE3-CD1 4.15Å; W155-L161 HydrophobicContact CH2-CB 4.35Å; W155-L161 HydrophobicContact CH2-CD1 4.04Å; W155-L161 HydrophobicContact CZ2-CD1 4.11Å; W155-L161 HydrophobicContact CZ3-CB 3.7Å; W155-L161 HydrophobicContact CZ3-CD1 4.07Å; W155-L161 HydrophobicContact CZ3-CG 4.38Å |
| 156 | N | 91 | Very high | 93.3 | Very high | 22 Ų | 22 | 49 Ų | 49 | 12% | 0.118 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 174 | 165.7 | 69.4 | 7.6 | 0 | 0 | 0 | 111 | L142 E158 G159 Q160 M162 | L142-N156 HydrophobicContact CD2-CB 4.48Å; N156-E158 PolarHBondContact O-N 3.28Å; N156-E158 WeakPolarHBondContact OD1-CA 3.19Å; N156-E158 WeakPolarHBondContact OD1-CB 3.25Å; N156-E158 PolarHBondContact OD1-N 3.45Å; N156-G159 PolarHBondContact O-N 2.89Å; N156-G159 PolarHBondContact OD1-N 3.27Å; N156-Q160 PolarHBondContact N-O 2.86Å; N156-Q160 PolarHBondContact ND2-OE1 2.63Å; N156-Q160 WeakPolarHBondContact OD1-CA 3.28Å; N156-Q160 WeakPolarHBondContact OD1-CB 3.3Å; N156-Q160 PolarHBondContact OD1-N 3.4Å; N156-Q160 PolarHBondContact OD1-O 3.41Å; N156-M162 HydrophobicContact CB-CG 4.32Å; N156-M162 HydrophobicContact CB-SD 3.89Å |
| 157 | D | 87.1 | Confident | 92.9 | Very high | 53 Ų | 53 | 55.8 Ų | 55.8 | 28% | 0.283 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -23.7 | 178.2 | 64.4 | -42.5 | 0 | 0 | 0 | 113.3 | L87 R90 K141 G159 | L87-D157 HydrophobicContact CD2-CB 3.88Å; R90-D157 PolarHBondContact NH1-O 2.98Å; K141-D157 HydrophobicContact CB-CB 4.24Å; K141-D157 PolarHBondContact O-N 2.94Å; K141-D157 VanDerWaalsContact O-N 3.14Å; D157-G159 VanDerWaalsContact C-N 3.26Å; D157-G159 PolarHBondContact O-N 2.8Å |
| 158 | E | 87.3 | Confident | 92.6 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 51% | 0.514 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -5.5 | 171.2 | -58 | -173.8 | 165.7 | 0 | 0 | 114 | L117 N156 Q160 | L117-E158 WeakPolarHBondContact CD2-O 3.22Å; N156-E158 PolarHBondContact O-N 3.28Å; N156-E158 WeakPolarHBondContact OD1-CA 3.19Å; N156-E158 WeakPolarHBondContact OD1-CB 3.25Å; N156-E158 PolarHBondContact OD1-N 3.45Å; E158-Q160 HydrophobicContact CB-CG 4.45Å; E158-Q160 PolarHBondContact OE2-NE2 3.09Å |
| 159 | G | 86.3 | Confident | 92.2 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | trans | 77.7 | 16.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | I119 N156 D157 | I119-G159 VanDerWaalsContact CD1-O 3.27Å; I119-G159 WeakPolarHBondContact CD1-O 3.4Å; N156-G159 PolarHBondContact O-N 2.89Å; N156-G159 PolarHBondContact OD1-N 3.27Å; D157-G159 VanDerWaalsContact C-N 3.26Å; D157-G159 PolarHBondContact O-N 2.8Å | ||
| 160 | Q | 91.4 | Very high | 92.1 | Very high | 110 Ų | 110 | 57.7 Ų | 57.7 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | trans | -79.1 | 140 | 168.7 | -56.5 | 165.4 | -3.7 | 0 | 0 | 109.8 | W155 N156 E158 | W155-Q160 VanDerWaalsContact CA-O 3.28Å; W155-Q160 WeakPolarHBondContact CA-O 3.45Å; N156-Q160 PolarHBondContact N-O 2.86Å; N156-Q160 PolarHBondContact ND2-OE1 2.63Å; N156-Q160 WeakPolarHBondContact OD1-CA 3.28Å; N156-Q160 WeakPolarHBondContact OD1-CB 3.3Å; N156-Q160 PolarHBondContact OD1-N 3.4Å; N156-Q160 PolarHBondContact OD1-O 3.41Å; E158-Q160 HydrophobicContact CB-CG 4.45Å; E158-Q160 PolarHBondContact OE2-NE2 3.09Å | ||
| 161 | L | 92.9 | Very high | 92.1 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 121.9 | 177.4 | -180 | 62.6 | 0 | 0 | 0 | 110.1 | K153 W155 | K153-L161 HydrophobicContact CB-CD1 3.68Å; K153-L161 HydrophobicContact CD-CD1 3.89Å; K153-L161 HydrophobicContact CD-CD2 4.47Å; K153-L161 HydrophobicContact CG-CD1 3.87Å; W155-L161 HydrophobicContact CD2-CD1 4.21Å; W155-L161 HydrophobicContact CE3-CB 3.9Å; W155-L161 HydrophobicContact CE3-CD1 4.15Å; W155-L161 HydrophobicContact CH2-CB 4.35Å; W155-L161 HydrophobicContact CH2-CD1 4.04Å; W155-L161 HydrophobicContact CZ2-CD1 4.11Å; W155-L161 HydrophobicContact CZ3-CB 3.7Å; W155-L161 HydrophobicContact CZ3-CD1 4.07Å; W155-L161 HydrophobicContact CZ3-CG 4.38Å |
| 162 | M | 90.9 | Very high | 92 | Very high | 63 Ų | 63 | 50.2 Ų | 50.2 | 31% | 0.31 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -52.8 | 177.2 | -65.4 | -178.6 | 61.6 | 0 | 0 | 111.8 | L142 I154 N156 | L142-M162 HydrophobicContact CD2-CE 4.09Å; L142-M162 HydrophobicContact CD2-SD 3.22Å; L142-M162 WeakPolarHBondContact CD2-SD 3.31Å; I154-M162 PolarHBondContact O-N 3.49Å; N156-M162 HydrophobicContact CB-CG 4.32Å; N156-M162 HydrophobicContact CB-SD 3.89Å |
| 163 | H | 91.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 28% | 0.282 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.1 | -176.2 | -60 | -67.3 | 0 | 0 | 0 | 111 | K153 I154 Q199 | K153-H163 CarbonylContact C-O 3.53Å; K153-H163 WeakPolarHBondContact CA-O 3.26Å; I154-H163 HydrophobicContact CB-CB 4.22Å; I154-H163 HydrophobicContact CD1-CB 4.17Å; I154-H163 HydrophobicContact CG1-CB 4.31Å; I154-H163 PolarHBondContact N-O 3.18Å; I154-H163 PolarHBondContact O-N 2.93Å; H163-Q199 PolarHBondContact NE2-O 3.43Å |
| 164 | T | 94.9 | Very high | 91.8 | Very high | 57 Ų | 57 | 51.5 Ų | 51.5 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 119.4 | 167.2 | -58.6 | 0 | 0 | 0 | 0 | 107.9 | H151 K153 E166 | H151-T164 HydrophobicContact CB-CG2 4.43Å; K153-T164 HydrophobicContact CG-CG2 4.12Å; T164-E166 HydrophobicContact CG2-CG 4.09Å |
| 165 | I | 95.3 | Very high | 91.9 | Very high | 14 Ų | 14 | 51.8 Ų | 51.8 | 7% | 0.072 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 121.5 | 178.7 | -55.2 | 174 | 0 | 0 | 0 | 107.7 | H151 V152 I154 F168 F184 F196 G201 | H151-I165 WeakPolarHBondContact CA-O 3.47Å; V152-I165 HydrophobicContact CB-CB 4.23Å; V152-I165 HydrophobicContact CG1-CD1 4.42Å; V152-I165 PolarHBondContact N-O 2.95Å; V152-I165 VanDerWaalsContact N-O 3.12Å; V152-I165 PolarHBondContact O-N 3.47Å; I154-I165 HydrophobicContact CD1-CD1 4.35Å; I165-F168 HydrophobicContact CB-CE2 4.16Å; I165-F168 HydrophobicContact CG2-CE2 3.62Å; I165-F168 HydrophobicContact CG2-CZ 3.9Å; I165-F184 HydrophobicContact CD1-CE2 4.19Å; I165-F184 HydrophobicContact CD1-CZ 3.54Å; I165-F196 HydrophobicContact CD1-CB 4.45Å; I165-F196 HydrophobicContact CD1-CD1 3.9Å; I165-F196 HydrophobicContact CD1-CE1 4.39Å; I165-F196 HydrophobicContact CD1-CG 4.15Å; I165-F196 HydrophobicContact CG2-CD1 3.99Å; I165-F196 HydrophobicContact CG2-CE1 3.42Å; I165-F196 VanDerWaalsContact CG2-CE1 3.42Å; I165-F196 HydrophobicContact CG2-CZ 3.88Å; I165-G201 WeakPolarHBondContact CD1-O 3.35Å |
| 166 | E | 91.8 | Very high | 91.9 | Very high | 107 Ų | 107 | 51.4 Ų | 51.4 | 50% | 0.5 | 27% | 0.272 | S | S | . | . | trans | -110.5 | -172.4 | -175.6 | -47.3 | -166 | 159.1 | 0 | 0 | 111.3 | H151 T164 F168 | H151-E166 IonicContact CE1-OE1 3.55Å; T164-E166 HydrophobicContact CG2-CG 4.09Å; E166-F168 PolarHBondContact O-N 3.13Å | ||
| 167 | N | 88.1 | Confident | 92.1 | Very high | 142 Ų | 142 | 51 Ų | 51 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | trans | 66.5 | 31.6 | 175.3 | -56 | -42.1 | 0 | 0 | 0 | 115.3 | R194 | N167-R194 PolarHBondContact O-NH1 3.42Š| ||
| 168 | F | 91.3 | Very high | 92.3 | Very high | 9 Ų | 9 | 48.7 Ų | 48.7 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | trans | -80.4 | 130.8 | 165.2 | -65.4 | -86.4 | 0 | 0 | 0 | 110.5 | R150 V152 I165 E166 N170 V172 V186 R194 F196 | R150-F168 HydrophobicContact CB-CB 4.25Å; R150-F168 VanDerWaalsContact O-CD2 3.27Å; R150-F168 WeakPolarHBondContact O-CD2 3.13Å; V152-F168 HydrophobicContact CB-CE2 4.04Å; V152-F168 HydrophobicContact CB-CZ 4.29Å; V152-F168 HydrophobicContact CG2-CD2 4.49Å; V152-F168 HydrophobicContact CG2-CE2 3.65Å; V152-F168 HydrophobicContact CG2-CZ 3.67Å; I165-F168 HydrophobicContact CB-CE2 4.16Å; I165-F168 HydrophobicContact CG2-CE2 3.62Å; I165-F168 HydrophobicContact CG2-CZ 3.9Å; E166-F168 PolarHBondContact O-N 3.13Å; F168-N170 PolarHBondContact O-N 3.32Å; F168-V172 HydrophobicContact CD2-CG2 4.45Å; F168-V172 HydrophobicContact CG-CG2 4.4Å; F168-V186 HydrophobicContact CD1-CG1 4.3Å; F168-V186 HydrophobicContact CE1-CB 3.96Å; F168-V186 HydrophobicContact CE1-CG1 3.56Å; F168-V186 HydrophobicContact CZ-CB 4.28Å; F168-V186 HydrophobicContact CZ-CG1 3.9Å; F168-V186 HydrophobicContact CZ-CG2 4.35Å; F168-R194 HydrophobicContact CE1-CB 4.43Å; F168-F196 AromaticContact CE1-CE2 3.72Å; F168-F196 HydrophobicContact CE1-CE2 3.72Å; F168-F196 AromaticContact CE1-CZ 3.65Å; F168-F196 HydrophobicContact CE1-CZ 3.65Å; F168-F196 HydrophobicContact CE2-CZ 4.36Å; F168-F196 HydrophobicContact CZ-CE1 4.32Å; F168-F196 AromaticContact CZ-CE2 3.55Å; F168-F196 HydrophobicContact CZ-CE2 3.55Å; F168-F196 AromaticContact CZ-CZ 3.35Å; F168-F196 HydrophobicContact CZ-CZ 3.35Å | ||
| 169 | S | 87.2 | Confident | 92.3 | Very high | 95 Ų | 95 | 45.4 Ų | 45.4 | 66% | 0.664 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -69.5 | -17.5 | -178.2 | 57 | 0 | 0 | 0 | 0 | 113.6 | ||
| 170 | N | 92.5 | Very high | 92.2 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -145.6 | 177 | -179.6 | -148.6 | -32.6 | 0 | 0 | 0 | 110.3 | F168 S188 | F168-N170 PolarHBondContact O-N 3.32Å; N170-S188 WeakPolarHBondContact CB-O 3.43Å |
| 171 | V | 94.4 | Very high | 91.8 | Very high | 22 Ų | 22 | 44.7 Ų | 44.7 | 13% | 0.133 | 25% | 0.247 | C | C | . | . | trans | -59.6 | 144.9 | 173.6 | -56.9 | 0 | 0 | 0 | 0 | 111.1 | F148 F173 S188 | F148-V171 HydrophobicContact CB-CB 4.41Å; F148-V171 HydrophobicContact CB-CG1 4.12Å; F148-V171 HydrophobicContact CD1-CB 4.24Å; F148-V171 HydrophobicContact CD1-CG1 3.95Å; F148-V171 HydrophobicContact CD1-CG2 4.47Å; F148-V171 HydrophobicContact CD2-CB 4.35Å; F148-V171 HydrophobicContact CE1-CG2 4.41Å; F148-V171 HydrophobicContact CG-CB 4.08Å; F148-V171 HydrophobicContact CG-CG1 4.06Å; F148-V171 HydrophobicContact CZ-CG2 4.5Å; F148-V171 WeakPolarHBondContact O-CG1 3.45Å; V171-F173 HydrophobicContact CG2-CD1 4.06Å; V171-F173 HydrophobicContact CG2-CE1 3.4Å; V171-F173 VanDerWaalsContact CG2-CE1 3.4Å; V171-F173 HydrophobicContact CG2-CE2 4.1Å; V171-F173 HydrophobicContact CG2-CZ 3.41Å; V171-F173 VanDerWaalsContact CG2-CZ 3.41Å; V171-F173 PolarHBondContact O-N 3.19Å; V171-S188 WeakPolarHBondContact O-CA 3.4Å | ||
| 172 | V | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -78 | 121 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | S128 S147 V152 F168 I175 V186 | S128-V172 VanDerWaalsContact CB-O 3.3Å; S128-V172 WeakPolarHBondContact CB-O 3.46Å; S128-V172 PolarHBondContact OG-O 3.4Å; S147-V172 PolarHBondContact O-N 3.45Å; S147-V172 VanDerWaalsContact O-N 3.17Å; V152-V172 HydrophobicContact CG2-CG1 4.15Å; V152-V172 HydrophobicContact CG2-CG2 3.75Å; F168-V172 HydrophobicContact CD2-CG2 4.45Å; F168-V172 HydrophobicContact CG-CG2 4.4Å; V172-I175 HydrophobicContact CG1-CD1 4.23Å; V172-I175 HydrophobicContact CG1-CG1 4.02Å; V172-V186 HydrophobicContact CG1-CG1 3.63Å; V172-V186 HydrophobicContact CG2-CG1 4.27Å | ||
| 173 | F | 93.8 | Very high | 91.6 | Very high | 39 Ų | 39 | 38.5 Ų | 38.5 | 17% | 0.171 | 22% | 0.216 | C | C | . | . | trans | -92.4 | -42 | -178.7 | -66.9 | -64.2 | 0 | 0 | 0 | 113 | V171 T187 R222 | V171-F173 HydrophobicContact CG2-CD1 4.06Å; V171-F173 HydrophobicContact CG2-CE1 3.4Å; V171-F173 VanDerWaalsContact CG2-CE1 3.4Å; V171-F173 HydrophobicContact CG2-CE2 4.1Å; V171-F173 HydrophobicContact CG2-CZ 3.41Å; V171-F173 VanDerWaalsContact CG2-CZ 3.41Å; V171-F173 PolarHBondContact O-N 3.19Å; F173-T187 PolarHBondContact N-O 3.5Å; F173-R222 WeakPolarHBondContact CB-O 3.34Å; F173-R222 VanDerWaalsContact CE1-NH1 3.32Å | ||
| 174 | S | 94.7 | Very high | 91.7 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 10% | 0.098 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 149.5 | -174.6 | -166.2 | 0 | 0 | 0 | 0 | 110.7 | T187 I224 | S174-T187 WeakPolarHBondContact CB-OG1 3.27Å; S174-T187 PolarHBondContact N-OG1 2.97Å; S174-T187 VanDerWaalsContact N-OG1 3.16Å; S174-T187 PolarHBondContact O-N 2.91Å; S174-T187 PolarHBondContact O-OG1 2.75Å; S174-I224 PolarHBondContact OG-N 2.96Å; S174-I224 VanDerWaalsContact OG-N 3.13Å; S174-I224 PolarHBondContact OG-O 3.21Å |
| 175 | I | 96.3 | Very high | 91.7 | Very high | 7 Ų | 7 | 33.7 Ų | 33.7 | 4% | 0.036 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 144.8 | 174.6 | -61.8 | 175.3 | 0 | 0 | 0 | 107.7 | V131 I144 V152 V172 F184 W185 V186 | V131-I175 HydrophobicContact CB-CG2 4.29Å; V131-I175 HydrophobicContact CG2-CB 3.89Å; V131-I175 HydrophobicContact CG2-CG2 3.97Å; V131-I175 VanDerWaalsContact CG2-O 3.26Å; V131-I175 WeakPolarHBondContact CG2-O 3.5Å; I144-I175 HydrophobicContact CG2-CD1 3.86Å; I144-I175 HydrophobicContact CG2-CG2 4.23Å; V152-I175 HydrophobicContact CG1-CD1 3.8Å; V152-I175 HydrophobicContact CG2-CD1 3.97Å; V172-I175 HydrophobicContact CG1-CD1 4.23Å; V172-I175 HydrophobicContact CG1-CG1 4.02Å; I175-F184 HydrophobicContact CG2-CB 4.44Å; I175-F184 HydrophobicContact CG2-CD2 3.99Å; I175-W185 CarbonylContact C-O 3.6Å; I175-W185 VanDerWaalsContact CA-O 3.25Å; I175-W185 WeakPolarHBondContact CA-O 3.25Å; I175-V186 HydrophobicContact CG1-CG1 4.28Å; I175-V186 HydrophobicContact CG1-CG2 4.19Å |
| 176 | A | 95.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 33 Ų | 33 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 122.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | F184 W185 I224 F226 | A176-F184 CarbonylContact O-C 3.57Å; A176-F184 VanDerWaalsContact O-CA 3.25Å; A176-F184 WeakPolarHBondContact O-CA 3.25Å; A176-W185 PolarHBondContact N-O 3.45Å; A176-W185 PolarHBondContact O-N 3.39Å; A176-I224 HydrophobicContact CB-CB 4.49Å; A176-I224 HydrophobicContact CB-CG1 4.05Å; A176-I224 HydrophobicContact CB-CG2 3.89Å; A176-F226 HydrophobicContact CB-CB 4.42Å |
| 177 | H | 94.6 | Very high | 91.8 | Very high | 14 Ų | 14 | 28 Ų | 28 | 7% | 0.065 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 135.5 | 171.7 | 173.1 | -117.6 | 0 | 0 | 0 | 109.9 | V131 A133 H134 P179 F184 | V131-H177 HydrophobicContact CG1-CB 3.61Å; A133-H177 HydrophobicContact CB-CB 4.37Å; H134-H177 AromaticContact CD2-CE1 3.98Å; H134-H177 AromaticContact NE2-CE1 3.87Å; H177-P179 WeakPolarHBondContact O-CD 3.48Å; H177-F184 HydrophobicContact CB-CB 4.45Å |
| 178 | I | 92 | Very high | 92 | Very high | 5 Ų | 5 | 21.2 Ų | 21.2 | 3% | 0.026 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 93.1 | -178.6 | -59.5 | 136.5 | 0 | 0 | 0 | 107.7 | T180 T181 D182 T183 W185 F226 I233 | I178-T180 WeakPolarHBondContact CG2-OG1 3.3Å; I178-T180 PolarHBondContact O-N 3.34Å; I178-T180 VanDerWaalsContact O-N 3.11Å; I178-T181 VanDerWaalsContact CG2-OG1 3.27Å; I178-T181 WeakPolarHBondContact CG2-OG1 3.36Å; I178-T181 PolarHBondContact O-N 3.48Å; I178-D182 PolarHBondContact O-N 2.78Å; I178-D182 VanDerWaalsContact O-N 3.14Å; I178-T183 WeakPolarHBondContact CA-O 3.45Å; I178-T183 PolarHBondContact N-O 3.29Å; I178-T183 PolarHBondContact O-N 3.22Å; I178-W185 HydrophobicContact CD1-CB 4.18Å; I178-W185 HydrophobicContact CD1-CD2 3.8Å; I178-W185 HydrophobicContact CD1-CG 3.44Å; I178-W185 VanDerWaalsContact CD1-CG 3.44Å; I178-W185 HydrophobicContact CD1-CZ2 4.49Å; I178-F226 HydrophobicContact CG1-CD2 4.09Å; I178-F226 HydrophobicContact CG1-CG 4.4Å; I178-F226 HydrophobicContact CG2-CD2 4.37Å; I178-F226 HydrophobicContact CG2-CE2 4.09Å; I178-I233 HydrophobicContact CD1-CD1 3.43Å; I178-I233 VanDerWaalsContact CD1-CD1 3.43Å; I178-I233 HydrophobicContact CD1-CG1 4.21Å; I178-I233 HydrophobicContact CG1-CD1 3.76Å; I178-I233 HydrophobicContact CG1-CG1 4.05Å |
| 179 | P | 87.6 | Confident | 91.8 | Very high | 41 Ų | 41 | 21.1 Ų | 21.1 | 27% | 0.266 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -28.8 | -178.3 | -27.5 | 34.4 | 0 | 0 | 0 | 114.4 | H177 T181 D182 F226 | H177-P179 WeakPolarHBondContact O-CD 3.48Å; P179-T181 VanDerWaalsContact C-N 3.3Å; P179-T181 PolarHBondContact O-N 3.32Å; P179-D182 PolarHBondContact O-N 3.23Å; P179-F226 HydrophobicContact CG-CE1 4.24Å |
| 180 | T | 83.5 | Confident | 91.8 | Very high | 58 Ų | 58 | 18.1 Ų | 18.1 | 36% | 0.356 | 11% | 0.106 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -20.9 | -172.6 | 52.4 | 0 | 0 | 0 | 0 | 113.5 | I178 N231 | I178-T180 WeakPolarHBondContact CG2-OG1 3.3Å; I178-T180 PolarHBondContact O-N 3.34Å; I178-T180 VanDerWaalsContact O-N 3.11Å; T180-N231 WeakPolarHBondContact CG2-ND2 3.32Å; T180-N231 VanDerWaalsContact CG2-OD1 3.23Å; T180-N231 WeakPolarHBondContact CG2-OD1 3.48Å; T180-N231 PolarHBondContact OG1-OD1 3.12Å |
| 181 | T | 84.3 | Confident | 91.5 | Very high | 46 Ų | 46 | 17 Ų | 17 | 28% | 0.282 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.5 | 4.1 | 174.6 | 51.7 | 0 | 0 | 0 | 0 | 112.4 | I178 P179 T183 Y247 F295 | I178-T181 VanDerWaalsContact CG2-OG1 3.27Å; I178-T181 WeakPolarHBondContact CG2-OG1 3.36Å; I178-T181 PolarHBondContact O-N 3.48Å; P179-T181 VanDerWaalsContact C-N 3.3Å; P179-T181 PolarHBondContact O-N 3.32Å; T181-T183 WeakPolarHBondContact O-CG2 3.43Å; T181-T183 PolarHBondContact O-N 2.96Å; T181-T183 PolarHBondContact OG1-OG1 3.45Å; T181-Y247 HydrophobicContact CG2-CD2 4.11Å; T181-Y247 HydrophobicContact CG2-CE2 3.77Å; T181-F295 VanDerWaalsContact O-CZ 3.31Å; T181-F295 WeakPolarHBondContact O-CZ 3.28Å |
| 182 | D | 86.9 | Confident | 91.1 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 48.7 | 38.5 | -173.7 | -154.2 | 23.6 | 0 | 0 | 0 | 113.7 | I178 P179 V198 | I178-D182 PolarHBondContact O-N 2.78Å; I178-D182 VanDerWaalsContact O-N 3.14Å; P179-D182 PolarHBondContact O-N 3.23Å; D182-V198 WeakPolarHBondContact O-CG2 2.95Å; D182-V198 PolarHBondContact O-N 3.48Å |
| 183 | T | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 163 | 179.4 | 55.2 | 0 | 0 | 0 | 0 | 110.9 | I178 T181 I195 F196 V204 F295 | I178-T183 WeakPolarHBondContact CA-O 3.45Å; I178-T183 PolarHBondContact N-O 3.29Å; I178-T183 PolarHBondContact O-N 3.22Å; T181-T183 WeakPolarHBondContact O-CG2 3.43Å; T181-T183 PolarHBondContact O-N 2.96Å; T181-T183 PolarHBondContact OG1-OG1 3.45Å; T183-I195 HydrophobicContact CG2-CG2 3.94Å; T183-F196 CarbonylContact C-O 3.54Å; T183-F196 WeakPolarHBondContact CA-O 3.39Å; T183-F196 WeakPolarHBondContact CB-O 3.45Å; T183-V204 HydrophobicContact CG2-CG2 4.07Å; T183-F295 HydrophobicContact CG2-CE1 4.31Å; T183-F295 HydrophobicContact CG2-CE2 3.91Å; T183-F295 HydrophobicContact CG2-CZ 3.73Å |
| 184 | F | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 144.1 | 167.8 | 66.6 | -85 | 0 | 0 | 0 | 111 | I144 V152 I154 I165 I175 A176 H177 V186 F196 D197 V198 | I144-F184 HydrophobicContact CD1-CB 4.01Å; I144-F184 HydrophobicContact CD1-CD1 3.51Å; I144-F184 HydrophobicContact CD1-CD2 3.99Å; I144-F184 HydrophobicContact CD1-CE1 3.85Å; I144-F184 HydrophobicContact CD1-CE2 4.3Å; I144-F184 HydrophobicContact CD1-CG 3.55Å; I144-F184 HydrophobicContact CD1-CZ 4.21Å; I144-F184 HydrophobicContact CG2-CD2 4.33Å; I144-F184 HydrophobicContact CG2-CE2 4.14Å; V152-F184 HydrophobicContact CG1-CE2 4.02Å; I154-F184 HydrophobicContact CD1-CE1 3.89Å; I154-F184 HydrophobicContact CD1-CZ 3.95Å; I154-F184 HydrophobicContact CG1-CZ 4.48Å; I165-F184 HydrophobicContact CD1-CE2 4.19Å; I165-F184 HydrophobicContact CD1-CZ 3.54Å; I175-F184 HydrophobicContact CG2-CB 4.44Å; I175-F184 HydrophobicContact CG2-CD2 3.99Å; A176-F184 CarbonylContact O-C 3.57Å; A176-F184 VanDerWaalsContact O-CA 3.25Å; A176-F184 WeakPolarHBondContact O-CA 3.25Å; H177-F184 HydrophobicContact CB-CB 4.45Å; F184-V186 HydrophobicContact CD2-CG2 3.73Å; F184-V186 HydrophobicContact CE2-CG2 3.68Å; F184-F196 HydrophobicContact CD1-CB 4.03Å; F184-F196 HydrophobicContact CD2-CB 4.2Å; F184-F196 HydrophobicContact CD2-CD2 4.39Å; F184-F196 HydrophobicContact CE1-CB 3.47Å; F184-F196 VanDerWaalsContact CE1-CB 3.47Å; F184-F196 HydrophobicContact CE2-CB 3.65Å; F184-F196 AromaticContact CE2-CD2 3.85Å; F184-F196 HydrophobicContact CE2-CD2 3.85Å; F184-F196 AromaticContact CE2-CG 3.97Å; F184-F196 HydrophobicContact CE2-CG 3.97Å; F184-F196 HydrophobicContact CG-CB 4.38Å; F184-F196 HydrophobicContact CZ-CB 3.28Å; F184-F196 HydrophobicContact CZ-CD2 4.28Å; F184-F196 AromaticContact CZ-CG 3.91Å; F184-F196 HydrophobicContact CZ-CG 3.91Å; F184-F196 PolarHBondContact N-O 2.83Å; F184-F196 PolarHBondContact O-N 3.36Å; F184-D197 WeakPolarHBondContact CE1-O 3.23Å; F184-V198 HydrophobicContact CD1-CB 4.5Å; F184-V198 HydrophobicContact CD1-CG2 3.81Å |
| 185 | W | 95.1 | Very high | 90.8 | Very high | 17 Ų | 17 | 20.2 Ų | 20.2 | 6% | 0.064 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 136.5 | -176 | -72 | 26 | 0 | 0 | 0 | 109.6 | I175 A176 I178 A193 R194 I195 T210 I224 I233 W245 | I175-W185 CarbonylContact C-O 3.6Å; I175-W185 VanDerWaalsContact CA-O 3.25Å; I175-W185 WeakPolarHBondContact CA-O 3.25Å; A176-W185 PolarHBondContact N-O 3.45Å; A176-W185 PolarHBondContact O-N 3.39Å; I178-W185 HydrophobicContact CD1-CB 4.18Å; I178-W185 HydrophobicContact CD1-CD2 3.8Å; I178-W185 HydrophobicContact CD1-CG 3.44Å; I178-W185 VanDerWaalsContact CD1-CG 3.44Å; I178-W185 HydrophobicContact CD1-CZ2 4.49Å; W185-A193 HydrophobicContact CB-CB 4.19Å; W185-A193 HydrophobicContact CD2-CB 4.27Å; W185-A193 HydrophobicContact CE3-CB 3.66Å; W185-A193 HydrophobicContact CG-CB 4.5Å; W185-A193 HydrophobicContact CZ3-CB 4.47Å; W185-R194 CarbonylContact C-O 3.59Å; W185-R194 WeakPolarHBondContact CA-O 3.4Å; W185-I195 HydrophobicContact CD2-CD1 4.36Å; W185-I195 HydrophobicContact CD2-CG1 4.07Å; W185-I195 HydrophobicContact CG-CG1 4.1Å; W185-I195 HydrophobicContact CZ2-CD1 3.8Å; W185-I195 HydrophobicContact CZ2-CG1 4.4Å; W185-T210 HydrophobicContact CH2-CG2 3.78Å; W185-T210 HydrophobicContact CZ2-CG2 4.24Å; W185-I224 HydrophobicContact CB-CD1 3.86Å; W185-I224 HydrophobicContact CD2-CD1 4.25Å; W185-I224 HydrophobicContact CE3-CD1 3.52Å; W185-I224 HydrophobicContact CG-CD1 4.45Å; W185-I224 HydrophobicContact CZ3-CD1 4.38Å; W185-I233 HydrophobicContact CD2-CD1 4Å; W185-I233 HydrophobicContact CE3-CD1 4.03Å; W185-I233 HydrophobicContact CH2-CD1 3.76Å; W185-I233 HydrophobicContact CZ2-CD1 3.74Å; W185-I233 HydrophobicContact CZ3-CD1 3.91Å; W185-W245 AromaticContact CH2-CD1 3.98Å; W185-W245 HydrophobicContact CH2-CD2 4.35Å; W185-W245 HydrophobicContact CH2-CG 4.04Å; W185-W245 AromaticContact CZ3-CD2 3.87Å; W185-W245 HydrophobicContact CZ3-CD2 3.87Å; W185-W245 AromaticContact CZ3-CE2 3.89Å; W185-W245 HydrophobicContact CZ3-CE3 4.34Å; W185-W245 HydrophobicContact CZ3-CG 4.06Å; W185-W245 HydrophobicContact CZ3-CZ2 4.38Å |
| 186 | V | 95.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 131.6 | -177.2 | -174.8 | 0 | 0 | 0 | 0 | 109.4 | V152 F168 V172 I175 F184 A193 R194 F196 | V152-V186 HydrophobicContact CG2-CG1 3.82Å; V152-V186 HydrophobicContact CG2-CG2 4.13Å; F168-V186 HydrophobicContact CD1-CG1 4.3Å; F168-V186 HydrophobicContact CE1-CB 3.96Å; F168-V186 HydrophobicContact CE1-CG1 3.56Å; F168-V186 HydrophobicContact CZ-CB 4.28Å; F168-V186 HydrophobicContact CZ-CG1 3.9Å; F168-V186 HydrophobicContact CZ-CG2 4.35Å; V172-V186 HydrophobicContact CG1-CG1 3.63Å; V172-V186 HydrophobicContact CG2-CG1 4.27Å; I175-V186 HydrophobicContact CG1-CG1 4.28Å; I175-V186 HydrophobicContact CG1-CG2 4.19Å; F184-V186 HydrophobicContact CD2-CG2 3.73Å; F184-V186 HydrophobicContact CE2-CG2 3.68Å; V186-A193 WeakPolarHBondContact O-CA 3.18Å; V186-R194 PolarHBondContact N-O 3.21Å; V186-R194 PolarHBondContact O-N 2.95Å; V186-F196 HydrophobicContact CB-CD2 4.33Å; V186-F196 HydrophobicContact CB-CE2 3.94Å; V186-F196 HydrophobicContact CG2-CD2 3.61Å; V186-F196 HydrophobicContact CG2-CE2 3.63Å |
| 187 | T | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.4 | 172 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | F173 S174 A193 L221 R222 I224 | F173-T187 PolarHBondContact N-O 3.5Å; S174-T187 WeakPolarHBondContact CB-OG1 3.27Å; S174-T187 PolarHBondContact N-OG1 2.97Å; S174-T187 VanDerWaalsContact N-OG1 3.16Å; S174-T187 PolarHBondContact O-N 2.91Å; S174-T187 PolarHBondContact O-OG1 2.75Å; T187-A193 HydrophobicContact CG2-CB 4.4Å; T187-L221 HydrophobicContact CG2-CB 3.92Å; T187-R222 PolarHBondContact OG1-O 3.27Å; T187-I224 HydrophobicContact CG2-CB 3.97Å; T187-I224 HydrophobicContact CG2-CG2 3.85Å |
| 188 | S | 92.1 | Very high | 90.1 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.007 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -131.9 | 51 | -178.6 | 67.8 | 0 | 0 | 0 | 0 | 112 | N170 V171 S190 | N170-S188 WeakPolarHBondContact CB-O 3.43Å; V171-S188 WeakPolarHBondContact O-CA 3.4Å; S188-S190 PolarHBondContact O-N 3.3Å |
| 189 | G | 86.4 | Confident | 89.8 | Confident | 7 Ų | 7 | 20 Ų | 20 | 7% | 0.072 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 71.5 | -1.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q220 | G189-Q220 VanDerWaalsContact O-CG 3.25Å; G189-Q220 WeakPolarHBondContact O-CG 3.22Å; G189-Q220 PolarHBondContact O-NE2 3.4Å |
| 190 | S | 87.9 | Confident | 89.7 | Confident | 32 Ų | 32 | 19.8 Ų | 19.8 | 22% | 0.224 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -73.8 | 161.4 | 167.7 | 45.3 | 0 | 0 | 0 | 0 | 111.2 | S188 H192 L221 | S188-S190 PolarHBondContact O-N 3.3Å; S190-H192 WeakPolarHBondContact CB-O 3.38Å; S190-H192 PolarHBondContact O-N 2.92Å; S190-H192 PolarHBondContact OG-O 2.81Å; S190-L221 PolarHBondContact O-N 2.9Å |
| 191 | C | 85.8 | Confident | 89.9 | Confident | 35 Ų | 35 | 17.5 Ų | 17.5 | 24% | 0.236 | 10% | 0.098 | C | C | . | . | S | Bend | trans | -77.2 | -6.9 | 169.2 | 50.4 | 0 | 0 | 0 | 0 | 114.1 | P218 Y219 L221 | C191-P218 HydrophobicContact CB-CB 3.66Å; C191-P218 HydrophobicContact CB-CG 4.14Å; C191-Y219 WeakPolarHBondContact CA-O 3.49Å; C191-Y219 WeakPolarHBondContact CB-O 3.45Å; C191-L221 WeakPolarHBondContact O-CD1 3.24Å |
| 192 | H | 86.8 | Confident | 90.1 | Very high | 74 Ų | 74 | 18.6 Ų | 18.6 | 34% | 0.343 | 10% | 0.1 | S | C | . | . | S | Bend | trans | -124.3 | 142.3 | 178.8 | -54.9 | -54.3 | 0 | 0 | 0 | 109.6 | S190 W214 | S190-H192 WeakPolarHBondContact CB-O 3.38Å; S190-H192 PolarHBondContact O-N 2.92Å; S190-H192 PolarHBondContact OG-O 2.81Å; H192-W214 AromaticContact CE1-CD1 3.47Å; H192-W214 VanDerWaalsContact CE1-CD1 3.47Å; H192-W214 AromaticContact CE1-NE1 3.16Å; H192-W214 PolarHBondContact CE1-NE1 2.99Å; H192-W214 AromaticContact ND1-NE1 3.76Å; H192-W214 AromaticContact NE2-NE1 3.99Å |
| 193 | A | 91 | Very high | 90.2 | Very high | 11 Ų | 11 | 20.8 Ų | 20.8 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | trans | -74.8 | 137.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | W185 V186 T187 L221 I224 | W185-A193 HydrophobicContact CB-CB 4.19Å; W185-A193 HydrophobicContact CD2-CB 4.27Å; W185-A193 HydrophobicContact CE3-CB 3.66Å; W185-A193 HydrophobicContact CG-CB 4.5Å; W185-A193 HydrophobicContact CZ3-CB 4.47Å; V186-A193 WeakPolarHBondContact O-CA 3.18Å; T187-A193 HydrophobicContact CG2-CB 4.4Å; A193-L221 HydrophobicContact CB-CD1 4.32Å; A193-I224 HydrophobicContact CB-CD1 4.23Å | ||
| 194 | R | 92.9 | Very high | 90 | Very high | 56 Ų | 56 | 20.8 Ų | 20.8 | 21% | 0.211 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 136.4 | 168.7 | -69.2 | 178.2 | 71.2 | 175.8 | 7.9 | 108.5 | N167 F168 W185 V186 F196 D203 T205 | N167-R194 PolarHBondContact O-NH1 3.42Å; F168-R194 HydrophobicContact CE1-CB 4.43Å; W185-R194 CarbonylContact C-O 3.59Å; W185-R194 WeakPolarHBondContact CA-O 3.4Å; V186-R194 PolarHBondContact N-O 3.21Å; V186-R194 PolarHBondContact O-N 2.95Å; R194-F196 HydrophobicContact CB-CD2 4.35Å; R194-F196 HydrophobicContact CB-CE2 3.43Å; R194-F196 VanDerWaalsContact CB-CE2 3.43Å; R194-F196 HydrophobicContact CB-CZ 3.8Å; R194-D203 IonicContact CZ-OD2 2.86Å; R194-D203 VanDerWaalsContact CZ-OD2 3.23Å; R194-D203 IonicContact NE-OD2 3.53Å; R194-D203 PolarHBondContact NE-OD2 3.45Å; R194-D203 IonicContact NH2-OD2 3.37Å; R194-D203 PolarHBondContact NH2-OD2 3.07Å; R194-T205 WeakPolarHBondContact CA-OG1 3.37Å |
| 195 | I | 93.1 | Very high | 89.7 | Confident | 3 Ų | 3 | 23 Ų | 23 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.5 | -173.7 | -53 | 177.8 | 0 | 0 | 0 | 107.1 | T183 W185 V204 T205 V208 T210 | T183-I195 HydrophobicContact CG2-CG2 3.94Å; W185-I195 HydrophobicContact CD2-CD1 4.36Å; W185-I195 HydrophobicContact CD2-CG1 4.07Å; W185-I195 HydrophobicContact CG-CG1 4.1Å; W185-I195 HydrophobicContact CZ2-CD1 3.8Å; W185-I195 HydrophobicContact CZ2-CG1 4.4Å; I195-V204 HydrophobicContact CB-CG2 4.16Å; I195-V204 HydrophobicContact CG2-CG2 3.63Å; I195-V204 WeakPolarHBondContact O-CG2 3.43Å; I195-V204 PolarHBondContact O-N 2.78Å; I195-T205 PolarHBondContact N-OG1 3.16Å; I195-T205 PolarHBondContact O-N 3.17Å; I195-V208 HydrophobicContact CD1-CB 3.83Å; I195-V208 HydrophobicContact CD1-CG1 3.75Å; I195-V208 HydrophobicContact CG2-CG2 4.35Å; I195-T210 HydrophobicContact CD1-CG2 4.29Å |
| 196 | F | 92.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 146.3 | -178.7 | -62.6 | -89.3 | 0 | 0 | 0 | 110.6 | I165 F168 T183 F184 V186 R194 E202 D203 | I165-F196 HydrophobicContact CD1-CB 4.45Å; I165-F196 HydrophobicContact CD1-CD1 3.9Å; I165-F196 HydrophobicContact CD1-CE1 4.39Å; I165-F196 HydrophobicContact CD1-CG 4.15Å; I165-F196 HydrophobicContact CG2-CD1 3.99Å; I165-F196 HydrophobicContact CG2-CE1 3.42Å; I165-F196 VanDerWaalsContact CG2-CE1 3.42Å; I165-F196 HydrophobicContact CG2-CZ 3.88Å; F168-F196 AromaticContact CE1-CE2 3.72Å; F168-F196 HydrophobicContact CE1-CE2 3.72Å; F168-F196 AromaticContact CE1-CZ 3.65Å; F168-F196 HydrophobicContact CE1-CZ 3.65Å; F168-F196 HydrophobicContact CE2-CZ 4.36Å; F168-F196 HydrophobicContact CZ-CE1 4.32Å; F168-F196 AromaticContact CZ-CE2 3.55Å; F168-F196 HydrophobicContact CZ-CE2 3.55Å; F168-F196 AromaticContact CZ-CZ 3.35Å; F168-F196 HydrophobicContact CZ-CZ 3.35Å; T183-F196 CarbonylContact C-O 3.54Å; T183-F196 WeakPolarHBondContact CA-O 3.39Å; T183-F196 WeakPolarHBondContact CB-O 3.45Å; F184-F196 HydrophobicContact CD1-CB 4.03Å; F184-F196 HydrophobicContact CD2-CB 4.2Å; F184-F196 HydrophobicContact CD2-CD2 4.39Å; F184-F196 HydrophobicContact CE1-CB 3.47Å; F184-F196 VanDerWaalsContact CE1-CB 3.47Å; F184-F196 HydrophobicContact CE2-CB 3.65Å; F184-F196 AromaticContact CE2-CD2 3.85Å; F184-F196 HydrophobicContact CE2-CD2 3.85Å; F184-F196 AromaticContact CE2-CG 3.97Å; F184-F196 HydrophobicContact CE2-CG 3.97Å; F184-F196 HydrophobicContact CG-CB 4.38Å; F184-F196 HydrophobicContact CZ-CB 3.28Å; F184-F196 HydrophobicContact CZ-CD2 4.28Å; F184-F196 AromaticContact CZ-CG 3.91Å; F184-F196 HydrophobicContact CZ-CG 3.91Å; F184-F196 PolarHBondContact N-O 2.83Å; F184-F196 PolarHBondContact O-N 3.36Å; V186-F196 HydrophobicContact CB-CD2 4.33Å; V186-F196 HydrophobicContact CB-CE2 3.94Å; V186-F196 HydrophobicContact CG2-CD2 3.61Å; V186-F196 HydrophobicContact CG2-CE2 3.63Å; R194-F196 HydrophobicContact CB-CD2 4.35Å; R194-F196 HydrophobicContact CB-CE2 3.43Å; R194-F196 VanDerWaalsContact CB-CE2 3.43Å; R194-F196 HydrophobicContact CB-CZ 3.8Å; F196-E202 VanDerWaalsContact CA-O 3.25Å; F196-E202 WeakPolarHBondContact CA-O 3.43Å; F196-D203 HydrophobicContact CD1-CB 4.01Å; F196-D203 HydrophobicContact CE1-CB 3.66Å; F196-D203 HydrophobicContact CZ-CB 4.47Å |
| 197 | D | 89.8 | Confident | 88.4 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 131.6 | 169.3 | 175.7 | 28.4 | 0 | 0 | 0 | 110.2 | F184 Q199 T200 G201 E202 V204 F295 | F184-D197 WeakPolarHBondContact CE1-O 3.23Å; D197-Q199 VanDerWaalsContact C-N 3.33Å; D197-Q199 PolarHBondContact OD1-N 3.14Å; D197-T200 PolarHBondContact OD2-N 3.11Å; D197-T200 PolarHBondContact OD2-OG1 2.85Å; D197-G201 VanDerWaalsContact O-CA 3.3Å; D197-G201 WeakPolarHBondContact O-CA 3.45Å; D197-G201 PolarHBondContact O-N 3.46Å; D197-E202 PolarHBondContact N-O 2.8Å; D197-V204 HydrophobicContact CB-CG1 4.15Å; D197-F295 HydrophobicContact CB-CD2 4.05Å |
| 198 | V | 89.8 | Confident | 87.9 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.006 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | -37.7 | -179 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | A133 L142 D182 F184 | A133-V198 HydrophobicContact CB-CG1 3.92Å; L142-V198 HydrophobicContact CD1-CG1 3.77Å; D182-V198 WeakPolarHBondContact O-CG2 2.95Å; D182-V198 PolarHBondContact O-N 3.48Å; F184-V198 HydrophobicContact CD1-CB 4.5Å; F184-V198 HydrophobicContact CD1-CG2 3.81Å |
| 199 | Q | 85.3 | Confident | 87.1 | Confident | 20 Ų | 20 | 35.8 Ų | 35.8 | 9% | 0.093 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -42.3 | -173 | -176.8 | 168.6 | 29.8 | 0 | 0 | 112.5 | N135 D138 H163 D197 Q292 | N135-Q199 VanDerWaalsContact ND2-CG 3.32Å; N135-Q199 WeakPolarHBondContact ND2-CG 3.22Å; N135-Q199 PolarHBondContact ND2-NE2 2.79Å; D138-Q199 PolarHBondContact OD2-NE2 3.38Å; H163-Q199 PolarHBondContact NE2-O 3.43Å; D197-Q199 VanDerWaalsContact C-N 3.33Å; D197-Q199 PolarHBondContact OD1-N 3.14Å; Q199-Q292 PolarHBondContact OE1-O 3.27Å |
| 200 | T | 85 | Confident | 86.4 | Confident | 35 Ų | 35 | 38 Ų | 38 | 22% | 0.215 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.3 | -15.9 | -173.2 | 60.4 | 0 | 0 | 0 | 0 | 115.1 | D197 E202 T293 | D197-T200 PolarHBondContact OD2-N 3.11Å; D197-T200 PolarHBondContact OD2-OG1 2.85Å; T200-E202 PolarHBondContact O-N 3.13Å; T200-E202 PolarHBondContact OG1-N 2.88Å; T200-T293 HydrophobicContact CG2-CG2 3.26Å; T200-T293 VanDerWaalsContact OG1-CG2 3.23Å; T200-T293 WeakPolarHBondContact OG1-CG2 3.04Å |
| 201 | G | 87.4 | Confident | 85.3 | Confident | 10 Ų | 10 | 41.4 Ų | 41.4 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | trans | 70.8 | 10.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | I165 D197 | I165-G201 WeakPolarHBondContact CD1-O 3.35Å; D197-G201 VanDerWaalsContact O-CA 3.3Å; D197-G201 WeakPolarHBondContact O-CA 3.45Å; D197-G201 PolarHBondContact O-N 3.46Å | ||
| 202 | E | 88.4 | Confident | 84.3 | Confident | 69 Ų | 69 | 42.9 Ų | 42.9 | 32% | 0.322 | 22% | 0.215 | S | C | . | . | trans | -70.8 | 146.8 | 175.7 | -69.8 | -161.7 | 159.5 | 0 | 0 | 111.9 | F196 D197 T200 V204 S296 | F196-E202 VanDerWaalsContact CA-O 3.25Å; F196-E202 WeakPolarHBondContact CA-O 3.43Å; D197-E202 PolarHBondContact N-O 2.8Å; T200-E202 PolarHBondContact O-N 3.13Å; T200-E202 PolarHBondContact OG1-N 2.88Å; E202-V204 PolarHBondContact O-N 2.88Å; E202-S296 WeakPolarHBondContact OE2-CB 3.28Å; E202-S296 PolarHBondContact OE2-OG 2.55Å | ||
| 203 | D | 88.9 | Confident | 82.9 | Confident | 60 Ų | 60 | 46.9 Ų | 46.9 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -76.9 | 116.7 | 174.2 | -167.8 | -25 | 0 | 0 | 0 | 109.9 | R194 F196 T205 | R194-D203 IonicContact CZ-OD2 2.86Å; R194-D203 VanDerWaalsContact CZ-OD2 3.23Å; R194-D203 IonicContact NE-OD2 3.53Å; R194-D203 PolarHBondContact NE-OD2 3.45Å; R194-D203 IonicContact NH2-OD2 3.37Å; R194-D203 PolarHBondContact NH2-OD2 3.07Å; F196-D203 HydrophobicContact CD1-CB 4.01Å; F196-D203 HydrophobicContact CE1-CB 3.66Å; F196-D203 HydrophobicContact CZ-CB 4.47Å; D203-T205 WeakPolarHBondContact OD1-CB 3.2Å; D203-T205 PolarHBondContact OD1-N 2.84Å; D203-T205 PolarHBondContact OD1-OG1 2.82Å |
| 204 | V | 88.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | trans | -112.5 | 17.5 | -178.5 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | T183 I195 D197 E202 E206 Y207 V208 F295 | T183-V204 HydrophobicContact CG2-CG2 4.07Å; I195-V204 HydrophobicContact CB-CG2 4.16Å; I195-V204 HydrophobicContact CG2-CG2 3.63Å; I195-V204 WeakPolarHBondContact O-CG2 3.43Å; I195-V204 PolarHBondContact O-N 2.78Å; D197-V204 HydrophobicContact CB-CG1 4.15Å; E202-V204 PolarHBondContact O-N 2.88Å; V204-E206 VanDerWaalsContact C-N 3.29Å; V204-E206 PolarHBondContact O-N 3.17Å; V204-Y207 HydrophobicContact CB-CD2 4.13Å; V204-Y207 HydrophobicContact CG1-CD2 4.39Å; V204-Y207 WeakPolarHBondContact O-CB 3.25Å; V204-Y207 PolarHBondContact O-N 2.95Å; V204-Y207 VanDerWaalsContact O-N 3.16Å; V204-V208 HydrophobicContact CG2-CG2 4.17Å; V204-V208 PolarHBondContact O-N 3.44Å; V204-F295 HydrophobicContact CB-CB 4.04Å; V204-F295 HydrophobicContact CB-CG 4.26Å; V204-F295 HydrophobicContact CG1-CB 3.41Å; V204-F295 VanDerWaalsContact CG1-CB 3.41Å; V204-F295 HydrophobicContact CG1-CD2 4.25Å; V204-F295 HydrophobicContact CG1-CG 3.88Å; V204-F295 HydrophobicContact CG2-CG 4.47Å | ||
| 205 | T | 87 | Confident | 79.7 | Confident | 45 Ų | 45 | 59.2 Ų | 59.2 | 28% | 0.276 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -38.2 | -176.5 | -54.4 | 0 | 0 | 0 | 0 | 112.9 | R194 I195 D203 Y207 | R194-T205 WeakPolarHBondContact CA-OG1 3.37Å; I195-T205 PolarHBondContact N-OG1 3.16Å; I195-T205 PolarHBondContact O-N 3.17Å; D203-T205 WeakPolarHBondContact OD1-CB 3.2Å; D203-T205 PolarHBondContact OD1-N 2.84Å; D203-T205 PolarHBondContact OD1-OG1 2.82Å; T205-Y207 VanDerWaalsContact C-N 3.27Å; T205-Y207 PolarHBondContact O-N 3.25Å |
| 206 | E | 82.4 | Confident | 78.1 | Confident | 160 Ų | 160 | 69.2 Ų | 69.2 | 75% | 0.748 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -24.3 | -177.8 | -62.2 | -167.2 | 156.4 | 0 | 0 | 113.5 | V204 | V204-E206 VanDerWaalsContact C-N 3.29Å; V204-E206 PolarHBondContact O-N 3.17Å |
| 207 | Y | 82 | Confident | 76.6 | Confident | 52 Ų | 52 | 78.3 Ų | 78.3 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -31.1 | -175.2 | -71.1 | -46.1 | 0 | 0 | 0 | 112.8 | V204 T205 L254 T255 L256 Y297 | V204-Y207 HydrophobicContact CB-CD2 4.13Å; V204-Y207 HydrophobicContact CG1-CD2 4.39Å; V204-Y207 WeakPolarHBondContact O-CB 3.25Å; V204-Y207 PolarHBondContact O-N 2.95Å; V204-Y207 VanDerWaalsContact O-N 3.16Å; T205-Y207 VanDerWaalsContact C-N 3.27Å; T205-Y207 PolarHBondContact O-N 3.25Å; Y207-L254 HydrophobicContact CD1-CD1 3.47Å; Y207-L254 VanDerWaalsContact CD1-CD1 3.47Å; Y207-L254 HydrophobicContact CG-CD1 3.52Å; Y207-L254 WeakPolarHBondContact O-CA 3.3Å; Y207-T255 PolarHBondContact O-N 3Å; Y207-L256 HydrophobicContact CD1-CD2 3.93Å; Y207-L256 HydrophobicContact CE1-CD2 3.84Å; Y207-Y297 PolarHBondContact OH-O 3.49Å |
| 208 | V | 82.8 | Confident | 75.9 | Confident | 28 Ų | 28 | 81.7 Ų | 81.7 | 17% | 0.17 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -97.8 | 115 | -175.4 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | I195 V204 F295 | I195-V208 HydrophobicContact CD1-CB 3.83Å; I195-V208 HydrophobicContact CD1-CG1 3.75Å; I195-V208 HydrophobicContact CG2-CG2 4.35Å; V204-V208 HydrophobicContact CG2-CG2 4.17Å; V204-V208 PolarHBondContact O-N 3.44Å; V208-F295 HydrophobicContact CG2-CE1 4.49Å |
| 209 | N | 75.3 | Confident | 75.6 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | trans | -82.7 | 124.3 | 178 | -85.2 | -46 | 0 | 0 | 0 | 111.8 | F211 T255 | N209-F211 HydrophobicContact CB-CD2 4.44Å; N209-F211 HydrophobicContact CB-CE1 4.49Å; N209-F211 HydrophobicContact CB-CE2 4.06Å; N209-F211 HydrophobicContact CB-CZ 4.1Å; N209-T255 WeakPolarHBondContact ND2-CB 3.09Å; N209-T255 PolarHBondContact ND2-OG1 3.22Å | ||
| 210 | T | 73.1 | Confident | 75.7 | Confident | 53 Ų | 53 | 87.5 Ų | 87.5 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | trans | -95.7 | -5.9 | 175.6 | 58.3 | 0 | 0 | 0 | 0 | 113.8 | W185 I195 M212 | W185-T210 HydrophobicContact CH2-CG2 3.78Å; W185-T210 HydrophobicContact CZ2-CG2 4.24Å; I195-T210 HydrophobicContact CD1-CG2 4.29Å; T210-M212 PolarHBondContact O-N 3.45Å | ||
| 211 | F | 63.3 | Low | 75.9 | Confident | 105 Ų | 105 | 86 Ų | 86 | 46% | 0.461 | 40% | 0.404 | S | S | . | . | trans | 52.5 | 24.1 | -178.9 | -56.6 | -83.6 | 0 | 0 | 0 | 114.7 | N209 N213 | N209-F211 HydrophobicContact CB-CD2 4.44Å; N209-F211 HydrophobicContact CB-CE1 4.49Å; N209-F211 HydrophobicContact CB-CE2 4.06Å; N209-F211 HydrophobicContact CB-CZ 4.1Å; F211-N213 PolarHBondContact O-N 3.49Å | ||
| 212 | M | 64.8 | Low | 76.1 | Confident | 65 Ų | 65 | 90.1 Ų | 90.1 | 32% | 0.32 | 42% | 0.417 | S | S | . | . | trans | -76.7 | 113.8 | 178.7 | -163.6 | 176.2 | -170.3 | 0 | 0 | 109.7 | T210 W214 I243 | T210-M212 PolarHBondContact O-N 3.45Å; M212-W214 PolarHBondContact O-N 3.47Å; M212-W214 VanDerWaalsContact O-N 3.13Å; M212-I243 HydrophobicContact CE-CD1 3.85Å; M212-I243 HydrophobicContact CE-CG1 4.33Å; M212-I243 HydrophobicContact CE-CG2 4.04Å | ||
| 213 | N | 58.1 | Low | 76.3 | Confident | 159 Ų | 159 | 91.2 Ų | 91.2 | 85% | 0.85 | 43% | 0.425 | S | S | * | . | trans | -71.9 | 104.7 | 169.4 | -75 | -18.5 | 0 | 0 | 0 | 108.4 | F211 E215 | F211-N213 PolarHBondContact O-N 3.49Å; N213-E215 PolarHBondContact O-N 3.19Å | ||
| 214 | W | 57.4 | Low | 76.5 | Confident | 180 Ų | 180 | 88.7 Ų | 88.7 | 68% | 0.682 | 41% | 0.411 | S | S | * | . | trans | -67.6 | 120.2 | -175.5 | -58.4 | -58.2 | 0 | 0 | 0 | 111.5 | H192 M212 | H192-W214 AromaticContact CE1-CD1 3.47Å; H192-W214 VanDerWaalsContact CE1-CD1 3.47Å; H192-W214 AromaticContact CE1-NE1 3.16Å; H192-W214 PolarHBondContact CE1-NE1 2.99Å; H192-W214 AromaticContact ND1-NE1 3.76Å; H192-W214 AromaticContact NE2-NE1 3.99Å; M212-W214 PolarHBondContact O-N 3.47Å; M212-W214 VanDerWaalsContact O-N 3.13Å | ||
| 215 | E | 58.1 | Low | 76.8 | Confident | 146 Ų | 146 | 92.8 Ų | 92.8 | 68% | 0.682 | 44% | 0.436 | S | S | * | . | trans | -64.6 | 154 | 164.8 | -67 | -173.7 | 168.6 | 0 | 0 | 110.4 | N213 R217 | N213-E215 PolarHBondContact O-N 3.19Å; E215-R217 PolarHBondContact O-N 3.35Å | ||
| 216 | K | 60.7 | Low | 77.1 | Confident | 212 Ų | 212 | 92.2 Ų | 92.2 | 92% | 0.922 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -56.2 | -15.4 | -177.7 | -70.8 | -177.8 | 177.6 | 178 | 0 | 115 | ||
| 217 | R | 61.3 | Low | 77.5 | Confident | 194 Ų | 194 | 86.5 Ų | 86.5 | 73% | 0.732 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -137.3 | 89.5 | 177.7 | -69.5 | -172.6 | 177.2 | -177.7 | -0.7 | 110.5 | E215 | E215-R217 PolarHBondContact O-N 3.35Š|
| 218 | P | 73.7 | Confident | 77.7 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 48% | 0.481 | 43% | 0.425 | S | S | . | . | P | Polyproline II helix | trans | -72.5 | 135.3 | -178.7 | 31.8 | -36.3 | 0 | 0 | 0 | 110.9 | C191 | C191-P218 HydrophobicContact CB-CB 3.66Å; C191-P218 HydrophobicContact CB-CG 4.14Å |
| 219 | Y | 84 | Confident | 77.9 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 23% | 0.231 | 45% | 0.446 | C | S | . | . | P | Polyproline II helix | trans | -88.9 | 148 | 177.8 | -59.4 | -63.2 | 0 | 0 | 0 | 111.4 | C191 L221 R239 Y241 | C191-Y219 WeakPolarHBondContact CA-O 3.49Å; C191-Y219 WeakPolarHBondContact CB-O 3.45Å; Y219-L221 PolarHBondContact O-N 3.47Å; Y219-R239 HydrophobicContact CD1-CB 4.2Å; Y219-R239 HydrophobicContact CD1-CG 3.7Å; Y219-R239 HydrophobicContact CE1-CB 4.36Å; Y219-R239 HydrophobicContact CE1-CG 3.75Å; Y219-R239 HydrophobicContact CG-CB 4.35Å; Y219-R239 HydrophobicContact CG-CG 4.32Å; Y219-R239 PolarHBondContact OH-NH1 3.04Å; Y219-Y241 HydrophobicContact CD2-CD2 4.11Å; Y219-Y241 HydrophobicContact CD2-CE2 4.4Å; Y219-Y241 HydrophobicContact CE2-CD2 4.05Å; Y219-Y241 AromaticContact CE2-CE2 3.88Å; Y219-Y241 HydrophobicContact CE2-CE2 3.88Å |
| 220 | Q | 87.6 | Confident | 78.5 | Confident | 84 Ų | 84 | 95.6 Ų | 95.6 | 39% | 0.393 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -66 | 130.3 | 178.6 | -65 | 179.8 | -24.8 | 0 | 0 | 110.7 | G189 T237 S238 | G189-Q220 VanDerWaalsContact O-CG 3.25Å; G189-Q220 WeakPolarHBondContact O-CG 3.22Å; G189-Q220 PolarHBondContact O-NE2 3.4Å; Q220-T237 CarbonylContact O-C 3.55Å; Q220-T237 VanDerWaalsContact O-CA 3.24Å; Q220-T237 WeakPolarHBondContact O-CA 3.25Å; Q220-S238 PolarHBondContact O-N 2.94Å |
| 221 | L | 89.5 | Confident | 79.3 | Confident | 2 Ų | 2 | 94.8 Ų | 94.8 | 1% | 0.01 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 135 | 171.9 | -74.6 | 168.4 | 0 | 0 | 0 | 109.6 | T187 S190 C191 A193 Y219 T237 I243 W245 | T187-L221 HydrophobicContact CG2-CB 3.92Å; S190-L221 PolarHBondContact O-N 2.9Å; C191-L221 WeakPolarHBondContact O-CD1 3.24Å; A193-L221 HydrophobicContact CB-CD1 4.32Å; Y219-L221 PolarHBondContact O-N 3.47Å; L221-T237 HydrophobicContact CD2-CG2 4.29Å; L221-I243 HydrophobicContact CD2-CD1 3.8Å; L221-W245 HydrophobicContact CD1-CH2 4.3Å; L221-W245 HydrophobicContact CD1-CZ2 4.47Å; L221-W245 HydrophobicContact CD2-CH2 3.87Å |
| 222 | R | 91.3 | Very high | 80.7 | Confident | 98 Ų | 98 | 91.8 Ų | 91.8 | 37% | 0.37 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -76.4 | -179.2 | -70.7 | -66.7 | -171.6 | 163.6 | 1.4 | 110.2 | F173 T187 S236 | F173-R222 WeakPolarHBondContact CB-O 3.34Å; F173-R222 VanDerWaalsContact CE1-NH1 3.32Å; T187-R222 PolarHBondContact OG1-O 3.27Å; R222-S236 PolarHBondContact N-O 3.34Å |
| 223 | L | 92.3 | Very high | 82 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 48% | 0.482 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 149.9 | 179.9 | -57.5 | 173.3 | 0 | 0 | 0 | 110.3 | G235 S236 | L223-G235 CarbonylContact O-C 2.87Å; L223-G235 WeakPolarHBondContact O-CA 3.4Å; L223-S236 WeakPolarHBondContact CB-OG 3.37Å; L223-S236 PolarHBondContact N-OG 3.38Å; L223-S236 VanDerWaalsContact N-OG 3.13Å; L223-S236 PolarHBondContact O-N 3.36Å |
| 224 | I | 94.3 | Very high | 83.7 | Confident | 7 Ų | 7 | 83.7 Ų | 83.7 | 4% | 0.036 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 137.4 | 172.7 | -170.1 | 160.8 | 0 | 0 | 0 | 108.8 | S174 A176 W185 T187 A193 I233 V234 W245 | S174-I224 PolarHBondContact OG-N 2.96Å; S174-I224 VanDerWaalsContact OG-N 3.13Å; S174-I224 PolarHBondContact OG-O 3.21Å; A176-I224 HydrophobicContact CB-CB 4.49Å; A176-I224 HydrophobicContact CB-CG1 4.05Å; A176-I224 HydrophobicContact CB-CG2 3.89Å; W185-I224 HydrophobicContact CB-CD1 3.86Å; W185-I224 HydrophobicContact CD2-CD1 4.25Å; W185-I224 HydrophobicContact CE3-CD1 3.52Å; W185-I224 HydrophobicContact CG-CD1 4.45Å; W185-I224 HydrophobicContact CZ3-CD1 4.38Å; T187-I224 HydrophobicContact CG2-CB 3.97Å; T187-I224 HydrophobicContact CG2-CG2 3.85Å; A193-I224 HydrophobicContact CB-CD1 4.23Å; I224-I233 HydrophobicContact CD1-CG2 3.49Å; I224-I233 VanDerWaalsContact CD1-CG2 3.49Å; I224-I233 HydrophobicContact CG1-CG2 3.36Å; I224-V234 WeakPolarHBondContact CA-O 3.43Å; I224-W245 HydrophobicContact CD1-CZ3 4.43Å |
| 225 | T | 93.1 | Very high | 85.3 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 53% | 0.528 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 146.3 | 177.1 | -170 | 0 | 0 | 0 | 0 | 110.2 | I233 V234 | T225-I233 CarbonylContact O-C 3.52Å; T225-I233 WeakPolarHBondContact O-CA 3.46Å; T225-V234 HydrophobicContact CG2-CB 4.12Å; T225-V234 PolarHBondContact N-O 3.48Å; T225-V234 PolarHBondContact O-N 2.92Å |
| 226 | F | 94 | Very high | 87 | Confident | 33 Ų | 33 | 69.6 Ų | 69.6 | 15% | 0.145 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 129.8 | 176.4 | 176.8 | -112.2 | 0 | 0 | 0 | 109.9 | A176 I178 P179 P228 N231 I233 | A176-F226 HydrophobicContact CB-CB 4.42Å; I178-F226 HydrophobicContact CG1-CD2 4.09Å; I178-F226 HydrophobicContact CG1-CG 4.4Å; I178-F226 HydrophobicContact CG2-CD2 4.37Å; I178-F226 HydrophobicContact CG2-CE2 4.09Å; P179-F226 HydrophobicContact CG-CE1 4.24Å; F226-P228 HydrophobicContact CD1-CB 4.35Å; F226-P228 VanDerWaalsContact CE1-CA 3.49Å; F226-P228 HydrophobicContact CE1-CB 3.85Å; F226-P228 WeakPolarHBondContact O-CD 3.27Å; F226-N231 WeakPolarHBondContact CE2-OD1 3.43Å; F226-N231 WeakPolarHBondContact CZ-OD1 3.43Å; F226-I233 HydrophobicContact CD2-CG1 3.9Å |
| 227 | C | 91.4 | Very high | 88.4 | Confident | 41 Ų | 41 | 60 Ų | 60 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 102.7 | 173.1 | -175.9 | 0 | 0 | 0 | 0 | 108.9 | D229 L230 N231 M232 | C227-D229 PolarHBondContact O-N 3.38Å; C227-L230 PolarHBondContact O-N 2.66Å; C227-N231 WeakPolarHBondContact O-CA 3.23Å; C227-N231 PolarHBondContact O-N 3.43Å; C227-M232 WeakPolarHBondContact CB-O 3.41Å; C227-M232 PolarHBondContact N-O 3.48Å; C227-M232 PolarHBondContact O-N 3.04Å |
| 228 | P | 86.3 | Confident | 89.6 | Confident | 90 Ų | 90 | 53.4 Ų | 53.4 | 58% | 0.584 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -35.8 | -174 | 24.3 | -33.5 | 0 | 0 | 0 | 113.3 | F226 L230 N231 | F226-P228 HydrophobicContact CD1-CB 4.35Å; F226-P228 VanDerWaalsContact CE1-CA 3.49Å; F226-P228 HydrophobicContact CE1-CB 3.85Å; F226-P228 WeakPolarHBondContact O-CD 3.27Å; P228-L230 VanDerWaalsContact C-N 3.33Å; P228-L230 PolarHBondContact O-N 3.02Å; P228-N231 PolarHBondContact O-N 3.15Å |
| 229 | D | 85.9 | Confident | 90.1 | Very high | 113 Ų | 113 | 57 Ų | 57 | 60% | 0.604 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -34.1 | -176.5 | -53.1 | -99.6 | 0 | 0 | 0 | 113.7 | K2 C227 | K2-D229 IonicContact NZ-OD1 3.45Å; K2-D229 PolarHBondContact NZ-OD1 2.9Å; K2-D229 IonicContact NZ-OD2 3.78Å; K2-D229 PolarHBondContact NZ-OD2 3.41Å; C227-D229 PolarHBondContact O-N 3.38Å |
| 230 | L | 87.7 | Confident | 90 | Very high | 114 Ų | 114 | 63.1 Ų | 63.1 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -9.4 | 179.4 | -62 | 177.3 | 0 | 0 | 0 | 112 | C227 P228 M232 | C227-L230 PolarHBondContact O-N 2.66Å; P228-L230 VanDerWaalsContact C-N 3.33Å; P228-L230 PolarHBondContact O-N 3.02Å; L230-M232 VanDerWaalsContact C-N 3.28Å; L230-M232 HydrophobicContact CB-CB 4.17Å; L230-M232 HydrophobicContact CB-CG 3.93Å; L230-M232 HydrophobicContact CB-SD 3.67Å; L230-M232 HydrophobicContact CD1-SD 4.13Å; L230-M232 HydrophobicContact CG-SD 4.47Å; L230-M232 WeakPolarHBondContact O-CG 3.21Å; L230-M232 PolarHBondContact O-N 2.88Å |
| 231 | N | 89.4 | Confident | 90 | Very high | 36 Ų | 36 | 65.6 Ų | 65.6 | 19% | 0.193 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 50.8 | -170.9 | -163.1 | 15 | 0 | 0 | 0 | 111.3 | T180 F226 C227 P228 Y247 | T180-N231 WeakPolarHBondContact CG2-ND2 3.32Å; T180-N231 VanDerWaalsContact CG2-OD1 3.23Å; T180-N231 WeakPolarHBondContact CG2-OD1 3.48Å; T180-N231 PolarHBondContact OG1-OD1 3.12Å; F226-N231 WeakPolarHBondContact CE2-OD1 3.43Å; F226-N231 WeakPolarHBondContact CZ-OD1 3.43Å; C227-N231 WeakPolarHBondContact O-CA 3.23Å; C227-N231 PolarHBondContact O-N 3.43Å; P228-N231 PolarHBondContact O-N 3.15Å; N231-Y247 VanDerWaalsContact CG-CB 3.43Å; N231-Y247 WeakPolarHBondContact ND2-CB 3.12Å; N231-Y247 WeakPolarHBondContact ND2-CD1 3.29Å; N231-Y247 VanDerWaalsContact O-CB 3.25Å; N231-Y247 WeakPolarHBondContact O-CB 3.25Å; N231-Y247 PolarHBondContact O-N 2.8Å |
| 232 | M | 93 | Very high | 90 | Very high | 43 Ų | 43 | 71.3 Ų | 71.3 | 21% | 0.212 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 144.8 | -175.2 | -72 | 170.7 | 69.1 | 0 | 0 | 110.2 | C227 L230 I244 W245 K246 | C227-M232 WeakPolarHBondContact CB-O 3.41Å; C227-M232 PolarHBondContact N-O 3.48Å; C227-M232 PolarHBondContact O-N 3.04Å; L230-M232 VanDerWaalsContact C-N 3.28Å; L230-M232 HydrophobicContact CB-CB 4.17Å; L230-M232 HydrophobicContact CB-CG 3.93Å; L230-M232 HydrophobicContact CB-SD 3.67Å; L230-M232 HydrophobicContact CD1-SD 4.13Å; L230-M232 HydrophobicContact CG-SD 4.47Å; L230-M232 WeakPolarHBondContact O-CG 3.21Å; L230-M232 PolarHBondContact O-N 2.88Å; M232-I244 HydrophobicContact CE-CG2 3.09Å; M232-W245 CarbonylContact C-O 3.59Å; M232-W245 WeakPolarHBondContact CA-O 3.21Å; M232-K246 HydrophobicContact CG-CB 4.18Å; M232-K246 HydrophobicContact CG-CG 4.12Å |
| 233 | I | 93 | Very high | 89.9 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.062 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 136.3 | 172.8 | -56.5 | 162.8 | 0 | 0 | 0 | 107.4 | I178 W185 I224 T225 F226 I244 W245 | I178-I233 HydrophobicContact CD1-CD1 3.43Å; I178-I233 VanDerWaalsContact CD1-CD1 3.43Å; I178-I233 HydrophobicContact CD1-CG1 4.21Å; I178-I233 HydrophobicContact CG1-CD1 3.76Å; I178-I233 HydrophobicContact CG1-CG1 4.05Å; W185-I233 HydrophobicContact CD2-CD1 4Å; W185-I233 HydrophobicContact CE3-CD1 4.03Å; W185-I233 HydrophobicContact CH2-CD1 3.76Å; W185-I233 HydrophobicContact CZ2-CD1 3.74Å; W185-I233 HydrophobicContact CZ3-CD1 3.91Å; I224-I233 HydrophobicContact CD1-CG2 3.49Å; I224-I233 VanDerWaalsContact CD1-CG2 3.49Å; I224-I233 HydrophobicContact CG1-CG2 3.36Å; T225-I233 CarbonylContact O-C 3.52Å; T225-I233 WeakPolarHBondContact O-CA 3.46Å; F226-I233 HydrophobicContact CD2-CG1 3.9Å; I233-I244 CarbonylContact O-C 3.52Å; I233-I244 WeakPolarHBondContact O-CA 3.47Å; I233-W245 HydrophobicContact CB-CB 4.16Å; I233-W245 HydrophobicContact CB-CE3 3.85Å; I233-W245 HydrophobicContact CD1-CB 4.48Å; I233-W245 HydrophobicContact CG2-CE3 3.64Å; I233-W245 HydrophobicContact CG2-CZ3 4.02Å; I233-W245 PolarHBondContact N-O 2.81Å; I233-W245 PolarHBondContact O-N 3.11Å |
| 234 | V | 93.2 | Very high | 89.8 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 124.1 | 174.4 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | I224 T225 L242 I243 I244 | I224-V234 WeakPolarHBondContact CA-O 3.43Å; T225-V234 HydrophobicContact CG2-CB 4.12Å; T225-V234 PolarHBondContact N-O 3.48Å; T225-V234 PolarHBondContact O-N 2.92Å; V234-L242 HydrophobicContact CG1-CD2 4.24Å; V234-I243 CarbonylContact C-O 3.5Å; V234-I243 WeakPolarHBondContact CA-O 3.34Å; V234-I244 HydrophobicContact CG1-CG1 4.5Å; V234-I244 HydrophobicContact CG2-CG1 4.41Å |
| 235 | G | 92.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 69.7 Ų | 69.7 | 1% | 0.01 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 144.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.2 | L223 L242 I243 | L223-G235 CarbonylContact O-C 2.87Å; L223-G235 WeakPolarHBondContact O-CA 3.4Å; G235-L242 CarbonylContact O-C 3.56Å; G235-L242 WeakPolarHBondContact O-CA 3.39Å; G235-I243 PolarHBondContact N-O 2.92Å; G235-I243 PolarHBondContact O-N 3.08Å |
| 236 | S | 92.1 | Very high | 89.4 | Confident | 28 Ų | 28 | 73.3 Ų | 73.3 | 20% | 0.196 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 146.6 | 172 | 69.9 | 0 | 0 | 0 | 0 | 110.9 | R222 L223 | R222-S236 PolarHBondContact N-O 3.34Å; L223-S236 WeakPolarHBondContact CB-OG 3.37Å; L223-S236 PolarHBondContact N-OG 3.38Å; L223-S236 VanDerWaalsContact N-OG 3.13Å; L223-S236 PolarHBondContact O-N 3.36Å |
| 237 | T | 90.5 | Very high | 89.1 | Confident | 10 Ų | 10 | 75.5 Ų | 75.5 | 6% | 0.061 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 165 | 177.5 | 65 | 0 | 0 | 0 | 0 | 112 | Q220 L221 R239 Q240 Y241 I243 | Q220-T237 CarbonylContact O-C 3.55Å; Q220-T237 VanDerWaalsContact O-CA 3.24Å; Q220-T237 WeakPolarHBondContact O-CA 3.25Å; L221-T237 HydrophobicContact CD2-CG2 4.29Å; T237-R239 PolarHBondContact O-N 3.11Å; T237-R239 VanDerWaalsContact O-N 3.11Å; T237-Q240 PolarHBondContact O-N 3.29Å; T237-Q240 VanDerWaalsContact O-N 3.08Å; T237-Y241 PolarHBondContact N-O 3.42Å; T237-Y241 WeakPolarHBondContact OG1-CB 3.31Å; T237-Y241 PolarHBondContact OG1-N 2.83Å; T237-Y241 VanDerWaalsContact OG1-N 3.1Å; T237-Y241 PolarHBondContact OG1-O 2.88Å; T237-I243 HydrophobicContact CG2-CD1 3.39Å; T237-I243 HydrophobicContact CG2-CG1 4.04Å |
| 238 | S | 87.1 | Confident | 88.9 | Confident | 56 Ų | 56 | 77 Ų | 77 | 39% | 0.392 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -15.4 | 173.7 | 59.9 | 0 | 0 | 0 | 0 | 114.7 | Q220 | Q220-S238 PolarHBondContact O-N 2.94Š|
| 239 | R | 84 | Confident | 88.8 | Confident | 151 Ų | 151 | 74.9 Ų | 74.9 | 57% | 0.57 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.3 | 23 | 174.8 | -72.3 | -148.5 | -179.5 | 167.6 | -10.8 | 113.8 | Y219 T237 Y241 | Y219-R239 HydrophobicContact CD1-CB 4.2Å; Y219-R239 HydrophobicContact CD1-CG 3.7Å; Y219-R239 HydrophobicContact CE1-CB 4.36Å; Y219-R239 HydrophobicContact CE1-CG 3.75Å; Y219-R239 HydrophobicContact CG-CB 4.35Å; Y219-R239 HydrophobicContact CG-CG 4.32Å; Y219-R239 PolarHBondContact OH-NH1 3.04Å; T237-R239 PolarHBondContact O-N 3.11Å; T237-R239 VanDerWaalsContact O-N 3.11Å; R239-Y241 HydrophobicContact CB-CD2 3.79Å; R239-Y241 HydrophobicContact CB-CE2 3.87Å; R239-Y241 PolarHBondContact O-N 2.8Å; R239-Y241 VanDerWaalsContact O-N 3.09Å |
| 240 | Q | 82.8 | Confident | 88.8 | Confident | 187 Ų | 187 | 72.7 Ų | 72.7 | 87% | 0.874 | 35% | 0.353 | S | S | * | . | S | Bend | trans | 64.1 | 12 | 175.9 | -53.4 | 175.3 | -18.2 | 0 | 0 | 114.9 | T237 | T237-Q240 PolarHBondContact O-N 3.29Å; T237-Q240 VanDerWaalsContact O-N 3.08Å |
| 241 | Y | 87.5 | Confident | 88.9 | Confident | 136 Ų | 136 | 68.3 Ų | 68.3 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | trans | -74.9 | 143.9 | 166.7 | -64.1 | -83.8 | 0 | 0 | 0 | 110.5 | Y219 T237 R239 | Y219-Y241 HydrophobicContact CD2-CD2 4.11Å; Y219-Y241 HydrophobicContact CD2-CE2 4.4Å; Y219-Y241 HydrophobicContact CE2-CD2 4.05Å; Y219-Y241 AromaticContact CE2-CE2 3.88Å; Y219-Y241 HydrophobicContact CE2-CE2 3.88Å; T237-Y241 PolarHBondContact N-O 3.42Å; T237-Y241 WeakPolarHBondContact OG1-CB 3.31Å; T237-Y241 PolarHBondContact OG1-N 2.83Å; T237-Y241 VanDerWaalsContact OG1-N 3.1Å; T237-Y241 PolarHBondContact OG1-O 2.88Å; R239-Y241 HydrophobicContact CB-CD2 3.79Å; R239-Y241 HydrophobicContact CB-CE2 3.87Å; R239-Y241 PolarHBondContact O-N 2.8Å; R239-Y241 VanDerWaalsContact O-N 3.09Å | ||
| 242 | L | 89.3 | Confident | 88.8 | Confident | 122 Ų | 122 | 66.9 Ų | 66.9 | 64% | 0.639 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 129.9 | 167 | -64.8 | 176.3 | 0 | 0 | 0 | 109.6 | V234 G235 | V234-L242 HydrophobicContact CG1-CD2 4.24Å; G235-L242 CarbonylContact O-C 3.56Å; G235-L242 WeakPolarHBondContact O-CA 3.39Å |
| 243 | I | 88.8 | Confident | 88.5 | Confident | 35 Ų | 35 | 66.7 Ų | 66.7 | 18% | 0.179 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.7 | 172.3 | -60.6 | 163.3 | 0 | 0 | 0 | 107.3 | M212 L221 V234 G235 T237 W245 | M212-I243 HydrophobicContact CE-CD1 3.85Å; M212-I243 HydrophobicContact CE-CG1 4.33Å; M212-I243 HydrophobicContact CE-CG2 4.04Å; L221-I243 HydrophobicContact CD2-CD1 3.8Å; V234-I243 CarbonylContact C-O 3.5Å; V234-I243 WeakPolarHBondContact CA-O 3.34Å; G235-I243 PolarHBondContact N-O 2.92Å; G235-I243 PolarHBondContact O-N 3.08Å; T237-I243 HydrophobicContact CG2-CD1 3.39Å; T237-I243 HydrophobicContact CG2-CG1 4.04Å; I243-W245 HydrophobicContact CB-CH2 3.78Å; I243-W245 HydrophobicContact CB-CZ2 4.12Å; I243-W245 HydrophobicContact CB-CZ3 4.12Å; I243-W245 HydrophobicContact CG2-CD2 4.11Å; I243-W245 HydrophobicContact CG2-CE3 4.21Å; I243-W245 HydrophobicContact CG2-CH2 3.53Å; I243-W245 HydrophobicContact CG2-CZ2 3.37Å; I243-W245 HydrophobicContact CG2-CZ3 3.95Å |
| 244 | I | 90.8 | Very high | 88.3 | Confident | 98 Ų | 98 | 66.2 Ų | 66.2 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.5 | -175.9 | -60.2 | 179.6 | 0 | 0 | 0 | 108.6 | M232 I233 V234 | M232-I244 HydrophobicContact CE-CG2 3.09Å; I233-I244 CarbonylContact O-C 3.52Å; I233-I244 WeakPolarHBondContact O-CA 3.47Å; V234-I244 HydrophobicContact CG1-CG1 4.5Å; V234-I244 HydrophobicContact CG2-CG1 4.41Å |
| 245 | W | 90.9 | Very high | 88.2 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 130.7 | 170.5 | -56.1 | -98.2 | 0 | 0 | 0 | 109 | W185 L221 I224 M232 I233 I243 | W185-W245 AromaticContact CH2-CD1 3.98Å; W185-W245 HydrophobicContact CH2-CD2 4.35Å; W185-W245 HydrophobicContact CH2-CG 4.04Å; W185-W245 AromaticContact CZ3-CD2 3.87Å; W185-W245 HydrophobicContact CZ3-CD2 3.87Å; W185-W245 AromaticContact CZ3-CE2 3.89Å; W185-W245 HydrophobicContact CZ3-CE3 4.34Å; W185-W245 HydrophobicContact CZ3-CG 4.06Å; W185-W245 HydrophobicContact CZ3-CZ2 4.38Å; L221-W245 HydrophobicContact CD1-CH2 4.3Å; L221-W245 HydrophobicContact CD1-CZ2 4.47Å; L221-W245 HydrophobicContact CD2-CH2 3.87Å; I224-W245 HydrophobicContact CD1-CZ3 4.43Å; M232-W245 CarbonylContact C-O 3.59Å; M232-W245 WeakPolarHBondContact CA-O 3.21Å; I233-W245 HydrophobicContact CB-CB 4.16Å; I233-W245 HydrophobicContact CB-CE3 3.85Å; I233-W245 HydrophobicContact CD1-CB 4.48Å; I233-W245 HydrophobicContact CG2-CE3 3.64Å; I233-W245 HydrophobicContact CG2-CZ3 4.02Å; I233-W245 PolarHBondContact N-O 2.81Å; I233-W245 PolarHBondContact O-N 3.11Å; I243-W245 HydrophobicContact CB-CH2 3.78Å; I243-W245 HydrophobicContact CB-CZ2 4.12Å; I243-W245 HydrophobicContact CB-CZ3 4.12Å; I243-W245 HydrophobicContact CG2-CD2 4.11Å; I243-W245 HydrophobicContact CG2-CE3 4.21Å; I243-W245 HydrophobicContact CG2-CH2 3.53Å; I243-W245 HydrophobicContact CG2-CZ2 3.37Å; I243-W245 HydrophobicContact CG2-CZ3 3.95Å |
| 246 | K | 88.3 | Confident | 88.1 | Confident | 163 Ų | 163 | 64.5 Ų | 64.5 | 71% | 0.709 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106 | 130.7 | 174.6 | -177.1 | 178.1 | 178.3 | -179.3 | 0 | 109 | M232 N248 | M232-K246 HydrophobicContact CG-CB 4.18Å; M232-K246 HydrophobicContact CG-CG 4.12Å; K246-N248 PolarHBondContact O-N 2.8Å; K246-N248 VanDerWaalsContact O-N 3.16Å |
| 247 | Y | 87.4 | Confident | 87.9 | Confident | 79 Ų | 79 | 69.1 Ų | 69.1 | 31% | 0.31 | 33% | 0.334 | S | S | . | . | trans | -60.1 | 120.6 | 172.6 | 178 | -104.6 | 0 | 0 | 0 | 110 | T181 N231 | T181-Y247 HydrophobicContact CG2-CD2 4.11Å; T181-Y247 HydrophobicContact CG2-CE2 3.77Å; N231-Y247 VanDerWaalsContact CG-CB 3.43Å; N231-Y247 WeakPolarHBondContact ND2-CB 3.12Å; N231-Y247 WeakPolarHBondContact ND2-CD1 3.29Å; N231-Y247 VanDerWaalsContact O-CB 3.25Å; N231-Y247 WeakPolarHBondContact O-CB 3.25Å; N231-Y247 PolarHBondContact O-N 2.8Å | ||
| 248 | N | 86 | Confident | 87.7 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | trans | -106.8 | 108.7 | 174.4 | -174.9 | 5.5 | 0 | 0 | 0 | 109.7 | K246 E250 S251 | K246-N248 PolarHBondContact O-N 2.8Å; K246-N248 VanDerWaalsContact O-N 3.16Å; N248-E250 PolarHBondContact O-N 3.39Å; N248-E250 WeakPolarHBondContact OD1-CB 3.27Å; N248-E250 PolarHBondContact OD1-N 2.81Å; N248-S251 PolarHBondContact O-N 2.95Å; N248-S251 PolarHBondContact O-OG 3.1Å | ||
| 249 | S | 84.3 | Confident | 87.4 | Confident | 45 Ų | 45 | 76.9 Ų | 76.9 | 32% | 0.315 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -15.6 | -177.2 | 82.4 | 0 | 0 | 0 | 0 | 112.3 | R737 | S249-R737 VanDerWaalsContact C-NH2 3.28Å; S249-R737 PolarHBondContact O-NE 2.63Å; S249-R737 PolarHBondContact O-NH2 2.81Å; S249-R737 PolarHBondContact OG-NH2 2.93Å |
| 250 | E | 86.9 | Confident | 87.4 | Confident | 68 Ų | 68 | 70.7 Ų | 70.7 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.7 | -6.7 | 173.3 | -62.6 | -177.7 | 164.7 | 0 | 0 | 113.3 | N248 R737 N738 Y739 K740 | N248-E250 PolarHBondContact O-N 3.39Å; N248-E250 WeakPolarHBondContact OD1-CB 3.27Å; N248-E250 PolarHBondContact OD1-N 2.81Å; E250-R737 HydrophobicContact CG-CG 4.2Å; E250-N738 WeakPolarHBondContact CB-O 2.83Å; E250-N738 WeakPolarHBondContact CG-O 3.24Å; E250-Y739 CarbonylContact O-C 3.45Å; E250-Y739 WeakPolarHBondContact O-CA 3.39Å; E250-Y739 WeakPolarHBondContact O-CD1 3.23Å; E250-K740 PolarHBondContact O-N 3.14Å |
| 251 | S | 88.5 | Confident | 87.5 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -89.9 | 163.8 | 175.5 | 64.9 | 0 | 0 | 0 | 0 | 112.1 | N248 W770 | N248-S251 PolarHBondContact O-N 2.95Å; N248-S251 PolarHBondContact O-OG 3.1Å; S251-W770 VanDerWaalsContact C-CE3 3.41Å; S251-W770 VanDerWaalsContact C-CZ3 3.42Å |
| 252 | S | 87.9 | Confident | 87.5 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | trans | -71 | 137.4 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 110.2 | L254 T255 R768 I769 | S252-L254 VanDerWaalsContact C-N 3.33Å; S252-T255 PolarHBondContact OG-OG1 3.22Å; S252-R768 PolarHBondContact OG-NH1 3.09Å; S252-I769 CarbonylContact C-O 3.59Å; S252-I769 WeakPolarHBondContact CA-O 2.91Å | ||
| 253 | A | 86.4 | Confident | 87.4 | Confident | 38 Ų | 38 | 52.2 Ų | 52.2 | 31% | 0.314 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -67.3 | -38.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I769 | A253-I769 PolarHBondContact N-O 2.76Š|
| 254 | L | 89.4 | Confident | 87.4 | Confident | 3 Ų | 3 | 50.7 Ų | 50.7 | 2% | 0.016 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 145.4 | -175.7 | 158.7 | 72.2 | 0 | 0 | 0 | 110.6 | Y207 S252 L256 Y297 R768 I769 | Y207-L254 HydrophobicContact CD1-CD1 3.47Å; Y207-L254 VanDerWaalsContact CD1-CD1 3.47Å; Y207-L254 HydrophobicContact CG-CD1 3.52Å; Y207-L254 WeakPolarHBondContact O-CA 3.3Å; S252-L254 VanDerWaalsContact C-N 3.33Å; L254-L256 HydrophobicContact CD1-CD2 3.93Å; L254-L256 HydrophobicContact CD2-CD2 4.3Å; L254-L256 HydrophobicContact CG-CD2 4.3Å; L254-Y297 HydrophobicContact CD2-CD2 3.69Å; L254-Y297 HydrophobicContact CD2-CE2 3.3Å; L254-R768 WeakPolarHBondContact O-CA 3.35Å; L254-I769 HydrophobicContact CB-CB 4.11Å; L254-I769 HydrophobicContact CB-CG1 4.46Å; L254-I769 HydrophobicContact CD2-CB 4.24Å; L254-I769 HydrophobicContact CD2-CD1 3.57Å; L254-I769 HydrophobicContact CD2-CG1 3.83Å; L254-I769 HydrophobicContact CG-CB 4.39Å; L254-I769 HydrophobicContact CG-CD1 4.44Å; L254-I769 HydrophobicContact CG-CG1 4.18Å; L254-I769 PolarHBondContact N-O 3.16Å; L254-I769 VanDerWaalsContact N-O 3.15Å; L254-I769 PolarHBondContact O-N 2.85Å |
| 255 | T | 90.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 121.3 | 172.9 | -56.6 | 0 | 0 | 0 | 0 | 110.7 | Y207 N209 S252 K257 Q766 I767 R768 | Y207-T255 PolarHBondContact O-N 3Å; N209-T255 WeakPolarHBondContact ND2-CB 3.09Å; N209-T255 PolarHBondContact ND2-OG1 3.22Å; S252-T255 PolarHBondContact OG-OG1 3.22Å; T255-K257 HydrophobicContact CG2-CG 4.45Å; T255-Q766 HydrophobicContact CG2-CB 4.02Å; T255-Q766 HydrophobicContact CG2-CG 4.14Å; T255-I767 CarbonylContact C-O 3.54Å; T255-I767 WeakPolarHBondContact CA-O 3.4Å; T255-R768 HydrophobicContact CG2-CG 4.17Å; T255-R768 PolarHBondContact OG1-NH1 3.49Å |
| 256 | L | 90.9 | Very high | 87.7 | Confident | 3 Ų | 3 | 45 Ų | 45 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 129.1 | 169.4 | -47.7 | 170.6 | 0 | 0 | 0 | 107.9 | Y207 L254 W287 Y297 Q766 I767 | Y207-L256 HydrophobicContact CD1-CD2 3.93Å; Y207-L256 HydrophobicContact CE1-CD2 3.84Å; L254-L256 HydrophobicContact CD1-CD2 3.93Å; L254-L256 HydrophobicContact CD2-CD2 4.3Å; L254-L256 HydrophobicContact CG-CD2 4.3Å; L256-W287 HydrophobicContact CB-CE3 4.15Å; L256-W287 HydrophobicContact CB-CH2 4.2Å; L256-W287 HydrophobicContact CB-CZ3 3.87Å; L256-W287 HydrophobicContact CD1-CD2 4.01Å; L256-W287 HydrophobicContact CD1-CE3 3.76Å; L256-W287 HydrophobicContact CD1-CG 4.34Å; L256-W287 HydrophobicContact CD1-CZ3 4.34Å; L256-W287 HydrophobicContact CD2-CE3 4.3Å; L256-W287 HydrophobicContact CD2-CZ3 4.32Å; L256-W287 HydrophobicContact CG-CE3 4.29Å; L256-W287 HydrophobicContact CG-CZ3 4.41Å; L256-Y297 HydrophobicContact CD1-CD1 4.33Å; L256-Y297 HydrophobicContact CD1-CD2 4.27Å; L256-Y297 HydrophobicContact CD1-CG 4.04Å; L256-Y297 HydrophobicContact CD2-CD2 3.95Å; L256-Y297 HydrophobicContact CD2-CG 4.12Å; L256-Q766 WeakPolarHBondContact O-CA 3.35Å; L256-I767 HydrophobicContact CB-CB 4.13Å; L256-I767 HydrophobicContact CD1-CB 4.38Å; L256-I767 HydrophobicContact CD1-CG2 4.43Å; L256-I767 PolarHBondContact N-O 3.06Å; L256-I767 PolarHBondContact O-N 3.17Å |
| 257 | K | 88.1 | Confident | 87.9 | Confident | 126 Ų | 126 | 37.5 Ų | 37.5 | 55% | 0.548 | 20% | 0.198 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 135.5 | -176.7 | -64.3 | 174.8 | -175.2 | 165.5 | 0 | 109.7 | T255 | T255-K257 HydrophobicContact CG2-CG 4.45Å |
| 258 | T | 85.3 | Confident | 88 | Confident | 25 Ų | 25 | 33.8 Ų | 33.8 | 15% | 0.153 | 18% | 0.183 | C | C | . | . | trans | -115.8 | 154.9 | 174.2 | 61.8 | 0 | 0 | 0 | 0 | 109.7 | S260 I262 W287 G765 | T258-S260 VanDerWaalsContact C-N 3.28Å; T258-S260 PolarHBondContact O-N 3.32Å; T258-S260 PolarHBondContact OG1-O 2.96Å; T258-I262 HydrophobicContact CG2-CD1 3.92Å; T258-I262 HydrophobicContact CG2-CG1 4.22Å; T258-I262 WeakPolarHBondContact OG1-CG1 3.07Å; T258-W287 HydrophobicContact CG2-CH2 4.31Å; T258-W287 HydrophobicContact CG2-CZ2 3.63Å; T258-G765 PolarHBondContact N-O 2.67Å; T258-G765 VanDerWaalsContact OG1-CA 3.3Å; T258-G765 WeakPolarHBondContact OG1-CA 3.12Å; T258-G765 PolarHBondContact OG1-O 2.97Å | ||
| 259 | E | 81.5 | Confident | 87.9 | Confident | 204 Ų | 204 | 36 Ų | 36 | 95% | 0.953 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -72.6 | -24.9 | 179.8 | -60.9 | -171.5 | 167.5 | 0 | 0 | 112.5 | ||
| 260 | S | 83.9 | Confident | 87.8 | Confident | 20 Ų | 20 | 36.7 Ų | 36.7 | 14% | 0.14 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -124.5 | 159 | -177 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | T258 G279 D281 G765 | T258-S260 VanDerWaalsContact C-N 3.28Å; T258-S260 PolarHBondContact O-N 3.32Å; T258-S260 PolarHBondContact OG1-O 2.96Å; S260-G279 WeakPolarHBondContact OG-CA 3.46Å; S260-D281 WeakPolarHBondContact CB-OD2 3.24Å; S260-D281 PolarHBondContact OG-OD2 2.74Å; S260-G765 VanDerWaalsContact O-CA 3.28Å; S260-G765 WeakPolarHBondContact O-CA 3.39Å |
| 261 | G | 84.8 | Confident | 87.2 | Confident | 15 Ų | 15 | 38 Ų | 38 | 16% | 0.155 | 20% | 0.199 | C | C | . | . | trans | -67.4 | 131.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G279 S280 A763 | G261-G279 CarbonylContact O-C 3.59Å; G261-G279 WeakPolarHBondContact O-CA 3.14Å; G261-S280 PolarHBondContact O-N 2.95Å; G261-S280 VanDerWaalsContact O-N 3.14Å; G261-A763 WeakPolarHBondContact CA-O 3.21Å | ||
| 262 | I | 88.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 131 | -171.4 | -54.6 | 158.3 | 0 | 0 | 0 | 109.8 | T258 C264 S278 R747 A761 S762 I767 | T258-I262 HydrophobicContact CG2-CD1 3.92Å; T258-I262 HydrophobicContact CG2-CG1 4.22Å; T258-I262 WeakPolarHBondContact OG1-CG1 3.07Å; I262-C264 WeakPolarHBondContact CG2-O 3.43Å; I262-S278 WeakPolarHBondContact CG2-O 3.33Å; I262-R747 WeakPolarHBondContact O-CG 3.17Å; I262-A761 HydrophobicContact CB-CB 4.07Å; I262-A761 HydrophobicContact CD1-CB 4.27Å; I262-A761 HydrophobicContact CG2-CB 3.63Å; I262-S762 PolarHBondContact N-O 3.3Å; I262-S762 VanDerWaalsContact N-O 3.13Å; I262-I767 HydrophobicContact CD1-CD1 4.28Å; I262-I767 HydrophobicContact CD1-CG1 3.4Å |
| 263 | Q | 87.3 | Confident | 86.5 | Confident | 41 Ų | 41 | 39.3 Ų | 39.3 | 19% | 0.192 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | -38.1 | 179.5 | -66.6 | -58.2 | -30.2 | 0 | 0 | 112.9 | S278 F403 R747 | Q263-S278 PolarHBondContact N-O 3.26Å; Q263-F403 VanDerWaalsContact CB-O 3.32Å; Q263-F403 WeakPolarHBondContact CB-O 3.21Å; Q263-R747 VanDerWaalsContact O-CB 3.32Å; Q263-R747 WeakPolarHBondContact O-CB 3.44Å |
| 264 | C | 89 | Confident | 86.7 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.027 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 160.9 | 179.9 | 60.7 | 0 | 0 | 0 | 0 | 112.4 | I262 S278 F403 M406 | I262-C264 WeakPolarHBondContact CG2-O 3.43Å; C264-S278 PolarHBondContact O-N 3.48Å; C264-S278 VanDerWaalsContact O-N 3.15Å; C264-F403 PolarHBondContact SG-O 3.09Å; C264-M406 WeakPolarHBondContact O-CE 3.16Å; C264-M406 VanDerWaalsContact SG-CE 3.52Å |
| 265 | L | 93.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.7 | -175.6 | -163.2 | 86 | 0 | 0 | 0 | 108.8 | I275 F276 S748 I750 V759 A761 I767 | L265-I275 HydrophobicContact CD1-CG2 3.41Å; L265-I275 VanDerWaalsContact CD1-CG2 3.41Å; L265-I275 HydrophobicContact CD2-CG2 4.04Å; L265-I275 HydrophobicContact CG-CG2 3.74Å; L265-F276 CarbonylContact C-O 3.6Å; L265-F276 VanDerWaalsContact CA-O 3.31Å; L265-F276 WeakPolarHBondContact CA-O 3.19Å; L265-S748 PolarHBondContact O-OG 2.82Å; L265-I750 HydrophobicContact CB-CD1 3.99Å; L265-I750 HydrophobicContact CD2-CB 4.32Å; L265-I750 HydrophobicContact CD2-CD1 3.33Å; L265-I750 HydrophobicContact CD2-CG1 3.78Å; L265-I750 HydrophobicContact CG-CD1 3.55Å; L265-I750 HydrophobicContact CG-CG1 4.37Å; L265-V759 HydrophobicContact CD2-CB 4.1Å; L265-V759 HydrophobicContact CD2-CG1 3.51Å; L265-A761 HydrophobicContact CB-CB 4.06Å; L265-A761 HydrophobicContact CD1-CB 4.17Å; L265-I767 HydrophobicContact CD1-CD1 3.91Å; L265-I767 HydrophobicContact CD1-CG1 4.23Å; L265-I767 HydrophobicContact CD1-CG2 4.42Å |
| 266 | C | 93.8 | Very high | 86.9 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 164.3 | 162.6 | 71.7 | 0 | 0 | 0 | 0 | 110.2 | F276 M406 | C266-F276 PolarHBondContact N-O 2.78Å; C266-F276 PolarHBondContact O-N 2.99Å; C266-M406 HydrophobicContact CB-CB 4.03Å |
| 267 | A | 92.7 | Very high | 87 | Confident | 5 Ų | 5 | 37.3 Ų | 37.3 | 4% | 0.041 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 145.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | F273 S274 Y408 I750 | A267-F273 HydrophobicContact CB-CE2 4.13Å; A267-F273 HydrophobicContact CB-CZ 4.44Å; A267-S274 CarbonylContact C-O 3.43Å; A267-S274 WeakPolarHBondContact CA-O 3.3Å; A267-Y408 WeakPolarHBondContact O-CB 3.3Å; A267-I750 HydrophobicContact CB-CD1 3.95Å; A267-I750 HydrophobicContact CB-CG2 4Å |
| 268 | S | 89.7 | Confident | 87 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.8 | 168.8 | 179.6 | 0 | 0 | 0 | 0 | 108.9 | F273 S274 Y408 | S268-F273 WeakPolarHBondContact O-CD2 3.32Å; S268-S274 PolarHBondContact N-O 3.27Å; S268-S274 PolarHBondContact O-N 2.95Å; S268-Y408 VanDerWaalsContact CB-CZ 3.47Å; S268-Y408 VanDerWaalsContact OG-CE1 3.26Å; S268-Y408 WeakPolarHBondContact OG-CE1 3.23Å; S268-Y408 PolarHBondContact OG-OH 2.87Å |
| 269 | Y | 84.5 | Confident | 86.8 | Confident | 117 Ų | 117 | 30.4 Ų | 30.4 | 46% | 0.459 | 16% | 0.157 | S | C | . | . | trans | -89 | -11.5 | -178.8 | -60.1 | -80.2 | 0 | 0 | 0 | 112.9 | I750 I751 L752 | Y269-I750 WeakPolarHBondContact OH-CG2 3.38Å; Y269-I751 PolarHBondContact OH-O 3.17Å; Y269-L752 HydrophobicContact CD1-CD2 4.36Å; Y269-L752 HydrophobicContact CE1-CD2 3.66Å | ||
| 270 | K | 81.3 | Confident | 86.4 | Confident | 60 Ų | 60 | 23.6 Ų | 23.6 | 26% | 0.261 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -76.1 | 144 | 175 | -69.6 | -173 | -174.5 | 167.1 | 0 | 110.7 | P272 D410 D413 | K270-P272 CarbonylContact O-C 3.58Å; K270-D410 WeakPolarHBondContact CE-O 3.47Å; K270-D410 PolarHBondContact NZ-O 2.96Å; K270-D413 WeakPolarHBondContact CD-OD1 3.24Å; K270-D413 WeakPolarHBondContact CE-OD1 3.35Å; K270-D413 IonicContact NZ-OD1 3.23Å; K270-D413 PolarHBondContact NZ-OD1 3.43Å; K270-D413 IonicContact NZ-OD2 3.58Å |
| 271 | P | 74.3 | Confident | 86 | Confident | 96 Ų | 96 | 25.2 Ų | 25.2 | 62% | 0.623 | 14% | 0.139 | S | C | * | . | S | Bend | trans | -64.6 | 133.6 | 174.9 | 25.2 | -32.5 | 0 | 0 | 0 | 111.4 | R532 | P271-R532 PolarHBondContact O-NH1 2.93Š|
| 272 | P | 77.9 | Confident | 85.5 | Confident | 19 Ų | 19 | 26.8 Ų | 26.8 | 12% | 0.123 | 14% | 0.144 | C | C | . | . | S | Bend | cis | -77.9 | 137.2 | -2.1 | 32.8 | -33.8 | 0 | 0 | 0 | 112.9 | K270 S274 E288 R532 | K270-P272 CarbonylContact O-C 3.58Å; P272-S274 PolarHBondContact O-N 3.45Å; P272-S274 PolarHBondContact O-OG 2.99Å; P272-E288 HydrophobicContact CB-CG 3.87Å; P272-E288 WeakPolarHBondContact CB-OE1 3.43Å; P272-E288 HydrophobicContact CG-CG 4.27Å; P272-E288 VanDerWaalsContact CG-OE1 3.25Å; P272-E288 WeakPolarHBondContact CG-OE1 3.44Å; P272-R532 HydrophobicContact CG-CB 4.27Å |
| 273 | F | 84.9 | Confident | 85.1 | Confident | 37 Ų | 37 | 30.1 Ų | 30.1 | 16% | 0.162 | 16% | 0.159 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 123.9 | 176.2 | 172.4 | -101.5 | 0 | 0 | 0 | 110 | A267 S268 I275 R289 Y297 L752 | A267-F273 HydrophobicContact CB-CE2 4.13Å; A267-F273 HydrophobicContact CB-CZ 4.44Å; S268-F273 WeakPolarHBondContact O-CD2 3.32Å; F273-I275 HydrophobicContact CE1-CD1 3.72Å; F273-I275 HydrophobicContact CE1-CG1 3.59Å; F273-I275 HydrophobicContact CE2-CG1 4.49Å; F273-I275 HydrophobicContact CZ-CD1 3.87Å; F273-I275 HydrophobicContact CZ-CG1 3.47Å; F273-I275 VanDerWaalsContact CZ-CG1 3.47Å; F273-R289 HydrophobicContact CD1-CB 3.91Å; F273-R289 PolarHBondContact O-N 3.45Å; F273-R289 VanDerWaalsContact O-N 3.17Å; F273-Y297 HydrophobicContact CD1-CE1 4.36Å; F273-Y297 HydrophobicContact CE1-CE1 4.05Å; F273-L752 HydrophobicContact CE1-CD1 4.08Å; F273-L752 HydrophobicContact CE2-CD1 4.11Å; F273-L752 HydrophobicContact CE2-CD2 3.43Å; F273-L752 VanDerWaalsContact CE2-CD2 3.43Å; F273-L752 HydrophobicContact CE2-CG 4.42Å; F273-L752 HydrophobicContact CZ-CD1 3.49Å; F273-L752 VanDerWaalsContact CZ-CD1 3.49Å; F273-L752 HydrophobicContact CZ-CD2 3.53Å; F273-L752 HydrophobicContact CZ-CG 4.17Å |
| 274 | S | 89.5 | Confident | 85.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.007 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 133.3 | -173.5 | -60.5 | 0 | 0 | 0 | 0 | 111 | A267 S268 P272 W287 | A267-S274 CarbonylContact C-O 3.43Å; A267-S274 WeakPolarHBondContact CA-O 3.3Å; S268-S274 PolarHBondContact N-O 3.27Å; S268-S274 PolarHBondContact O-N 2.95Å; P272-S274 PolarHBondContact O-N 3.45Å; P272-S274 PolarHBondContact O-OG 2.99Å; S274-W287 CarbonylContact C-O 3.55Å; S274-W287 VanDerWaalsContact CA-O 3.31Å; S274-W287 WeakPolarHBondContact CA-O 3.4Å |
| 275 | I | 92.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 129 | 172.3 | -58.5 | 164.1 | 0 | 0 | 0 | 108 | L265 F273 R286 W287 Y297 V759 I769 | L265-I275 HydrophobicContact CD1-CG2 3.41Å; L265-I275 VanDerWaalsContact CD1-CG2 3.41Å; L265-I275 HydrophobicContact CD2-CG2 4.04Å; L265-I275 HydrophobicContact CG-CG2 3.74Å; F273-I275 HydrophobicContact CE1-CD1 3.72Å; F273-I275 HydrophobicContact CE1-CG1 3.59Å; F273-I275 HydrophobicContact CE2-CG1 4.49Å; F273-I275 HydrophobicContact CZ-CD1 3.87Å; F273-I275 HydrophobicContact CZ-CG1 3.47Å; F273-I275 VanDerWaalsContact CZ-CG1 3.47Å; I275-R286 CarbonylContact O-C 3.55Å; I275-R286 WeakPolarHBondContact O-CA 3.5Å; I275-W287 HydrophobicContact CB-CB 4.18Å; I275-W287 PolarHBondContact N-O 3.09Å; I275-W287 PolarHBondContact O-N 2.8Å; I275-Y297 HydrophobicContact CD1-CE1 3.87Å; I275-V759 HydrophobicContact CD1-CG1 4.22Å; I275-V759 HydrophobicContact CD1-CG2 4.23Å; I275-I769 HydrophobicContact CD1-CD1 4.24Å |
| 276 | F | 92.8 | Very high | 85 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 127.6 | 174.3 | -62.4 | -89 | 0 | 0 | 0 | 109.8 | L265 C266 L284 S285 R286 Y408 V415 M537 | L265-F276 CarbonylContact C-O 3.6Å; L265-F276 VanDerWaalsContact CA-O 3.31Å; L265-F276 WeakPolarHBondContact CA-O 3.19Å; C266-F276 PolarHBondContact N-O 2.78Å; C266-F276 PolarHBondContact O-N 2.99Å; F276-L284 HydrophobicContact CB-CD1 4.27Å; F276-L284 HydrophobicContact CD1-CD2 4.5Å; F276-S285 WeakPolarHBondContact CA-O 3.3Å; F276-R286 HydrophobicContact CD1-CB 4.05Å; F276-R286 HydrophobicContact CD1-CG 4.09Å; F276-R286 HydrophobicContact CE1-CB 3.92Å; F276-R286 HydrophobicContact CE1-CG 3.65Å; F276-R286 HydrophobicContact CZ-CG 4.03Å; F276-Y408 HydrophobicContact CE2-CD2 4.22Å; F276-Y408 HydrophobicContact CE2-CE2 4.26Å; F276-V415 HydrophobicContact CD1-CG2 4.43Å; F276-V415 HydrophobicContact CD2-CG2 4.02Å; F276-V415 HydrophobicContact CE1-CG2 4.37Å; F276-V415 HydrophobicContact CE2-CG2 3.96Å; F276-V415 HydrophobicContact CG-CG2 4.26Å; F276-V415 HydrophobicContact CZ-CG2 4.13Å; F276-M537 HydrophobicContact CE1-SD 3.62Å; F276-M537 HydrophobicContact CZ-SD 3.76Å |
| 277 | S | 92.1 | Very high | 84.8 | Confident | 3 Ų | 3 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 137.8 | 177.9 | 64.2 | 0 | 0 | 0 | 0 | 110.8 | S285 W287 | S277-S285 PolarHBondContact N-O 3.4Å; S277-S285 PolarHBondContact O-N 3.07Å; S277-W287 PolarHBondContact OG-NE1 3.26Å |
| 278 | S | 88.5 | Confident | 84.6 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 126.9 | 172 | -176.5 | 0 | 0 | 0 | 0 | 110.7 | I262 Q263 C264 F403 | I262-S278 WeakPolarHBondContact CG2-O 3.33Å; Q263-S278 PolarHBondContact N-O 3.26Å; C264-S278 PolarHBondContact O-N 3.48Å; C264-S278 VanDerWaalsContact O-N 3.15Å; S278-F403 WeakPolarHBondContact OG-CB 3.45Å; S278-F403 WeakPolarHBondContact OG-CD2 3.21Å |
| 279 | G | 80 | Confident | 84.4 | Confident | 6 Ų | 6 | 30.8 Ų | 30.8 | 6% | 0.062 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | -175.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | S260 G261 D281 H283 | S260-G279 WeakPolarHBondContact OG-CA 3.46Å; G261-G279 CarbonylContact O-C 3.59Å; G261-G279 WeakPolarHBondContact O-CA 3.14Å; G279-D281 WeakPolarHBondContact CA-OD1 3.17Å; G279-H283 PolarHBondContact N-O 3.49Å |
| 280 | S | 74.6 | Confident | 84 | Confident | 61 Ų | 61 | 29.6 Ų | 29.6 | 43% | 0.427 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -85 | 5.8 | 168.8 | 60.9 | 0 | 0 | 0 | 0 | 113.7 | G261 N402 | G261-S280 PolarHBondContact O-N 2.95Å; G261-S280 VanDerWaalsContact O-N 3.14Å; S280-N402 WeakPolarHBondContact CA-OD1 3.35Å; S280-N402 PolarHBondContact O-OD1 2.86Å |
| 281 | D | 75.6 | Confident | 83.3 | Confident | 55 Ų | 55 | 30.5 Ų | 30.5 | 29% | 0.294 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -99.5 | 7.5 | -176.2 | 54.3 | 8.9 | 0 | 0 | 0 | 112.5 | S260 G279 H283 | S260-D281 WeakPolarHBondContact CB-OD2 3.24Å; S260-D281 PolarHBondContact OG-OD2 2.74Å; G279-D281 WeakPolarHBondContact CA-OD1 3.17Å; D281-H283 PolarHBondContact O-CD2 3.27Å; D281-H283 VanDerWaalsContact O-CD2 3.24Å; D281-H283 PolarHBondContact O-N 3.46Å; D281-H283 IonicContact OD1-CD2 3.98Å; D281-H283 PolarHBondContact OD1-N 2.85Å; D281-H283 IonicContact OD2-CD2 3.88Å |
| 282 | N | 73.6 | Confident | 83 | Confident | 47 Ų | 47 | 32.6 Ų | 32.6 | 25% | 0.251 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 61.8 | 12.1 | -170.4 | -48.2 | -47.5 | 0 | 0 | 0 | 114.8 | H305 K401 N402 | N282-H305 PolarHBondContact O-CE1 2.63Å; N282-H305 PolarHBondContact O-NE2 3.48Å; N282-K401 HydrophobicContact CB-CB 4.35Å; N282-K401 VanDerWaalsContact OD1-CA 3.3Å; N282-K401 WeakPolarHBondContact OD1-CA 3.47Å; N282-K401 PolarHBondContact OD1-N 3.05Å; N282-K401 PolarHBondContact OD1-O 3.08Å; N282-N402 PolarHBondContact N-OD1 2.77Å; N282-N402 PolarHBondContact OD1-N 3.1Å; N282-N402 PolarHBondContact OD1-OD1 2.85Å |
| 283 | H | 80.6 | Confident | 82.6 | Confident | 71 Ų | 71 | 31.9 Ų | 31.9 | 33% | 0.329 | 18% | 0.18 | S | C | . | . | trans | -93.6 | 138.7 | 178.7 | -65.2 | -74.1 | 0 | 0 | 0 | 111.4 | G279 D281 E301 | G279-H283 PolarHBondContact N-O 3.49Å; D281-H283 PolarHBondContact O-CD2 3.27Å; D281-H283 VanDerWaalsContact O-CD2 3.24Å; D281-H283 PolarHBondContact O-N 3.46Å; D281-H283 IonicContact OD1-CD2 3.98Å; D281-H283 PolarHBondContact OD1-N 2.85Å; D281-H283 IonicContact OD2-CD2 3.88Å; H283-E301 IonicContact CE1-OE1 3.2Å; H283-E301 PolarHBondContact CE1-OE1 3.07Å; H283-E301 IonicContact CG-OE1 3.53Å; H283-E301 IonicContact ND1-OE1 3.02Å; H283-E301 PolarHBondContact ND1-OE1 3.45Å | ||
| 284 | L | 86.7 | Confident | 82.1 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 113.7 | 169.7 | -177.9 | 66.2 | 0 | 0 | 0 | 108.1 | F276 E302 I304 F403 M406 L427 | F276-L284 HydrophobicContact CB-CD1 4.27Å; F276-L284 HydrophobicContact CD1-CD2 4.5Å; L284-E302 HydrophobicContact CB-CB 4.43Å; L284-E302 HydrophobicContact CD2-CB 4.29Å; L284-E302 HydrophobicContact CG-CB 4.42Å; L284-E302 PolarHBondContact O-N 2.88Å; L284-I304 HydrophobicContact CB-CD1 3.69Å; L284-I304 HydrophobicContact CB-CG1 4.48Å; L284-I304 HydrophobicContact CD2-CD1 4.04Å; L284-I304 HydrophobicContact CD2-CG2 4.31Å; L284-F403 HydrophobicContact CB-CE2 4.33Å; L284-M406 HydrophobicContact CD1-CE 3.94Å; L284-M406 HydrophobicContact CD1-SD 3.52Å; L284-M406 VanDerWaalsContact CD1-SD 3.52Å; L284-L427 HydrophobicContact CD2-CD1 3.54Å |
| 285 | S | 89.1 | Confident | 81.7 | Confident | 13 Ų | 13 | 32.2 Ų | 32.2 | 9% | 0.091 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 134.5 | 173.7 | -67.5 | 0 | 0 | 0 | 0 | 110.1 | F276 S277 Q299 | F276-S285 WeakPolarHBondContact CA-O 3.3Å; S277-S285 PolarHBondContact N-O 3.4Å; S277-S285 PolarHBondContact O-N 3.07Å; S285-Q299 PolarHBondContact OG-NE2 3.25Å |
| 286 | R | 90.3 | Very high | 81 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 128.1 | 168.8 | -174.9 | 180 | 77.8 | 178.4 | 21.2 | 108.8 | I275 F276 E288 Q300 E302 R532 H533 | I275-R286 CarbonylContact O-C 3.55Å; I275-R286 WeakPolarHBondContact O-CA 3.5Å; F276-R286 HydrophobicContact CD1-CB 4.05Å; F276-R286 HydrophobicContact CD1-CG 4.09Å; F276-R286 HydrophobicContact CE1-CB 3.92Å; F276-R286 HydrophobicContact CE1-CG 3.65Å; F276-R286 HydrophobicContact CZ-CG 4.03Å; R286-E288 IonicContact NH2-OE2 3.68Å; R286-Q300 PolarHBondContact N-O 3.22Å; R286-Q300 PolarHBondContact O-N 3.36Å; R286-E302 HydrophobicContact CB-CG 4.01Å; R286-E302 WeakPolarHBondContact CD-OE1 3.34Å; R286-E302 IonicContact CZ-OE1 2.81Å; R286-E302 IonicContact NE-OE1 3.12Å; R286-E302 PolarHBondContact NE-OE1 3.16Å; R286-E302 IonicContact NH1-OE1 3.11Å; R286-E302 PolarHBondContact NH1-OE1 3.13Å; R286-R532 VanDerWaalsContact CZ-O 3.3Å; R286-R532 PolarHBondContact NH1-O 2.87Å; R286-R532 PolarHBondContact NH2-O 2.97Å; R286-R532 VanDerWaalsContact NH2-O 3.14Å; R286-H533 PolarHBondContact NH2-O 2.98Å; R286-H533 VanDerWaalsContact NH2-O 3.09Å |
| 287 | W | 90.7 | Very high | 80.7 | Confident | 13 Ų | 13 | 32.6 Ų | 32.6 | 5% | 0.049 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 106.8 | 176.8 | -56.8 | 81.3 | 0 | 0 | 0 | 108.2 | L256 T258 S274 I275 S277 Y297 V298 Q299 I767 | L256-W287 HydrophobicContact CB-CE3 4.15Å; L256-W287 HydrophobicContact CB-CH2 4.2Å; L256-W287 HydrophobicContact CB-CZ3 3.87Å; L256-W287 HydrophobicContact CD1-CD2 4.01Å; L256-W287 HydrophobicContact CD1-CE3 3.76Å; L256-W287 HydrophobicContact CD1-CG 4.34Å; L256-W287 HydrophobicContact CD1-CZ3 4.34Å; L256-W287 HydrophobicContact CD2-CE3 4.3Å; L256-W287 HydrophobicContact CD2-CZ3 4.32Å; L256-W287 HydrophobicContact CG-CE3 4.29Å; L256-W287 HydrophobicContact CG-CZ3 4.41Å; T258-W287 HydrophobicContact CG2-CH2 4.31Å; T258-W287 HydrophobicContact CG2-CZ2 3.63Å; S274-W287 CarbonylContact C-O 3.55Å; S274-W287 VanDerWaalsContact CA-O 3.31Å; S274-W287 WeakPolarHBondContact CA-O 3.4Å; I275-W287 HydrophobicContact CB-CB 4.18Å; I275-W287 PolarHBondContact N-O 3.09Å; I275-W287 PolarHBondContact O-N 2.8Å; S277-W287 PolarHBondContact OG-NE1 3.26Å; W287-Y297 HydrophobicContact CB-CD1 4.04Å; W287-V298 WeakPolarHBondContact CA-O 3.49Å; W287-Q299 HydrophobicContact CD2-CB 4.3Å; W287-Q299 HydrophobicContact CD2-CG 4.25Å; W287-Q299 HydrophobicContact CE3-CB 3.86Å; W287-Q299 HydrophobicContact CE3-CG 4.24Å; W287-Q299 HydrophobicContact CH2-CB 3.82Å; W287-Q299 HydrophobicContact CH2-CG 3.68Å; W287-Q299 VanDerWaalsContact CH2-OE1 3.28Å; W287-Q299 HydrophobicContact CZ2-CB 4.23Å; W287-Q299 VanDerWaalsContact CZ2-CD 3.43Å; W287-Q299 HydrophobicContact CZ2-CG 3.64Å; W287-Q299 HydrophobicContact CZ3-CB 3.63Å; W287-Q299 HydrophobicContact CZ3-CG 4Å; W287-I767 HydrophobicContact CD2-CD1 4.42Å; W287-I767 HydrophobicContact CG-CD1 4.42Å |
| 288 | E | 87.9 | Confident | 80.3 | Confident | 21 Ų | 21 | 35.6 Ų | 35.6 | 10% | 0.098 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 127.9 | 178.3 | -171.4 | 177.3 | 164.2 | 0 | 0 | 109.9 | P272 R286 Y297 V298 H533 | P272-E288 HydrophobicContact CB-CG 3.87Å; P272-E288 WeakPolarHBondContact CB-OE1 3.43Å; P272-E288 HydrophobicContact CG-CG 4.27Å; P272-E288 VanDerWaalsContact CG-OE1 3.25Å; P272-E288 WeakPolarHBondContact CG-OE1 3.44Å; R286-E288 IonicContact NH2-OE2 3.68Å; E288-Y297 CarbonylContact O-C 3.54Å; E288-Y297 VanDerWaalsContact O-CA 3.27Å; E288-Y297 WeakPolarHBondContact O-CA 3.4Å; E288-V298 PolarHBondContact N-O 3.45Å; E288-V298 PolarHBondContact O-N 3.33Å; E288-H533 VanDerWaalsContact CD-ND1 3.31Å; E288-H533 IonicContact OE1-CE1 3.69Å; E288-H533 PolarHBondContact OE1-CE1 3.26Å; E288-H533 VanDerWaalsContact OE1-CE1 3.29Å; E288-H533 IonicContact OE1-CG 3.6Å; E288-H533 IonicContact OE1-ND1 2.63Å; E288-H533 PolarHBondContact OE1-ND1 2.96Å; E288-H533 IonicContact OE2-CE1 2.8Å; E288-H533 IonicContact OE2-ND1 3.94Å; E288-H533 PolarHBondContact OE2-ND1 2.91Å |
| 289 | R | 84.5 | Confident | 80.3 | Confident | 26 Ų | 26 | 40.2 Ų | 40.2 | 10% | 0.098 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 127.2 | 174.9 | -172.4 | -176.6 | -127.9 | 176.1 | 8.3 | 109.5 | F273 T293 H294 S296 Y297 E755 E757 | F273-R289 HydrophobicContact CD1-CB 3.91Å; F273-R289 PolarHBondContact O-N 3.45Å; F273-R289 VanDerWaalsContact O-N 3.17Å; R289-T293 VanDerWaalsContact CD-O 3.24Å; R289-T293 WeakPolarHBondContact CD-O 3.32Å; R289-T293 VanDerWaalsContact CG-O 3.3Å; R289-T293 WeakPolarHBondContact CG-O 3.38Å; R289-T293 PolarHBondContact NE-O 3.16Å; R289-H294 VanDerWaalsContact CZ-CA 3.46Å; R289-H294 PolarHBondContact NE-O 2.87Å; R289-H294 PolarHBondContact NH1-ND1 3.34Å; R289-H294 PolarHBondContact NH2-ND1 3.21Å; R289-H294 PolarHBondContact NH2-O 3.33Å; R289-S296 WeakPolarHBondContact CA-O 3.38Å; R289-Y297 HydrophobicContact CB-CD1 4.16Å; R289-Y297 HydrophobicContact CB-CE1 3.72Å; R289-Y297 HydrophobicContact CG-CE1 4.26Å; R289-Y297 HydrophobicContact CG-CE2 4.41Å; R289-Y297 PolarHBondContact NE-OH 3.1Å; R289-E755 IonicContact NH1-OE2 3.35Å; R289-E755 PolarHBondContact NH1-OE2 2.88Å; R289-E757 IonicContact CZ-OE1 3.9Å; R289-E757 IonicContact CZ-OE2 3.36Å; R289-E757 IonicContact NH1-OE1 3.87Å; R289-E757 IonicContact NH2-OE1 3.9Å; R289-E757 PolarHBondContact NH2-OE1 3.02Å; R289-E757 IonicContact NH2-OE2 2.72Å; R289-E757 PolarHBondContact NH2-OE2 3.4Å; R289-E757 VanDerWaalsContact NH2-OE2 3.11Å |
| 290 | K | 76 | Confident | 80.5 | Confident | 91 Ų | 91 | 43.3 Ų | 43.3 | 40% | 0.396 | 24% | 0.236 | S | C | . | . | P | Polyproline II helix | trans | -78.7 | 130.1 | 179 | -49.7 | 179.1 | 178.3 | 171 | 0 | 111.4 | Q292 T293 S296 V298 | K290-Q292 PolarHBondContact O-N 3.4Å; K290-T293 PolarHBondContact O-N 3.47Å; K290-T293 PolarHBondContact O-OG1 2.8Å; K290-T293 VanDerWaalsContact O-OG1 3.07Å; K290-S296 WeakPolarHBondContact CB-OG 3.23Å; K290-S296 WeakPolarHBondContact CG-OG 3.49Å; K290-S296 PolarHBondContact N-O 3.17Å; K290-V298 HydrophobicContact CD-CG2 4.06Å; K290-V298 HydrophobicContact CG-CG2 3.73Å |
| 291 | G | 67.1 | Low | 80.9 | Confident | 79 Ų | 79 | 44.2 Ų | 44.2 | 81% | 0.814 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.1 | -128.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 292 | Q | 67.3 | Low | 81.1 | Confident | 140 Ų | 140 | 41.9 Ų | 41.9 | 65% | 0.654 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -1.5 | 179.9 | -68.8 | 175.9 | -29.7 | 0 | 0 | 113.3 | Q199 K290 | Q199-Q292 PolarHBondContact OE1-O 3.27Å; K290-Q292 PolarHBondContact O-N 3.4Å |
| 293 | T | 70.5 | Confident | 80.9 | Confident | 5 Ų | 5 | 46.3 Ų | 46.3 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | trans | -74.6 | 145.9 | -176.2 | 70.2 | 0 | 0 | 0 | 0 | 111.7 | T200 R289 K290 S296 | T200-T293 HydrophobicContact CG2-CG2 3.26Å; T200-T293 VanDerWaalsContact OG1-CG2 3.23Å; T200-T293 WeakPolarHBondContact OG1-CG2 3.04Å; R289-T293 VanDerWaalsContact CD-O 3.24Å; R289-T293 WeakPolarHBondContact CD-O 3.32Å; R289-T293 VanDerWaalsContact CG-O 3.3Å; R289-T293 WeakPolarHBondContact CG-O 3.38Å; R289-T293 PolarHBondContact NE-O 3.16Å; K290-T293 PolarHBondContact O-N 3.47Å; K290-T293 PolarHBondContact O-OG1 2.8Å; K290-T293 VanDerWaalsContact O-OG1 3.07Å; T293-S296 WeakPolarHBondContact OG1-CB 3.46Å; T293-S296 PolarHBondContact OG1-N 2.66Å; T293-S296 PolarHBondContact OG1-OG 2.95Å | ||
| 294 | H | 74.9 | Confident | 80.4 | Confident | 24 Ų | 24 | 43 Ų | 43 | 11% | 0.111 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.9 | -17.5 | 168.6 | -75.7 | -96.7 | 0 | 0 | 0 | 114.1 | Y137 R289 E755 E757 | Y137-H294 AromaticContact CE1-CE1 3.83Å; Y137-H294 AromaticContact CE1-NE2 3.29Å; Y137-H294 VanDerWaalsContact CE1-NE2 3.29Å; Y137-H294 WeakPolarHBondContact CE1-NE2 3.29Å; Y137-H294 AromaticContact CE2-CD2 3.66Å; Y137-H294 AromaticContact CE2-NE2 3.71Å; Y137-H294 AromaticContact CZ-CD2 3.47Å; Y137-H294 VanDerWaalsContact CZ-CD2 3.47Å; Y137-H294 AromaticContact CZ-CE1 3.68Å; Y137-H294 AromaticContact CZ-NE2 3.1Å; Y137-H294 PolarHBondContact OH-CD2 3.07Å; Y137-H294 PolarHBondContact OH-CE1 2.72Å; Y137-H294 VanDerWaalsContact OH-CE1 3.29Å; Y137-H294 PolarHBondContact OH-NE2 2.91Å; Y137-H294 VanDerWaalsContact OH-NE2 3.15Å; R289-H294 VanDerWaalsContact CZ-CA 3.46Å; R289-H294 PolarHBondContact NE-O 2.87Å; R289-H294 PolarHBondContact NH1-ND1 3.34Å; R289-H294 PolarHBondContact NH2-ND1 3.21Å; R289-H294 PolarHBondContact NH2-O 3.33Å; H294-E755 IonicContact CE1-OE2 3.42Å; H294-E755 PolarHBondContact CE1-OE2 3.15Å; H294-E755 IonicContact ND1-OE2 3.68Å; H294-E755 IonicContact NE2-OE2 2.72Å; H294-E757 IonicContact CE1-OE1 2.6Å; H294-E757 IonicContact CG-OE1 3.99Å; H294-E757 IonicContact ND1-OE1 2.86Å; H294-E757 PolarHBondContact ND1-OE1 3Å |
| 295 | F | 79.6 | Confident | 79.5 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 9% | 0.088 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -104.7 | -31.9 | -164.9 | -63.7 | -76.6 | 0 | 0 | 0 | 115.3 | T181 T183 D197 V204 V208 Y297 | T181-F295 VanDerWaalsContact O-CZ 3.31Å; T181-F295 WeakPolarHBondContact O-CZ 3.28Å; T183-F295 HydrophobicContact CG2-CE1 4.31Å; T183-F295 HydrophobicContact CG2-CE2 3.91Å; T183-F295 HydrophobicContact CG2-CZ 3.73Å; D197-F295 HydrophobicContact CB-CD2 4.05Å; V204-F295 HydrophobicContact CB-CB 4.04Å; V204-F295 HydrophobicContact CB-CG 4.26Å; V204-F295 HydrophobicContact CG1-CB 3.41Å; V204-F295 VanDerWaalsContact CG1-CB 3.41Å; V204-F295 HydrophobicContact CG1-CD2 4.25Å; V204-F295 HydrophobicContact CG1-CG 3.88Å; V204-F295 HydrophobicContact CG2-CG 4.47Å; V208-F295 HydrophobicContact CG2-CE1 4.49Å; F295-Y297 WeakPolarHBondContact O-CD2 3.49Å |
| 296 | S | 79.3 | Confident | 78.5 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 27% | 0.266 | C | S | . | . | trans | -92.1 | 130.1 | -167.9 | 76.3 | 0 | 0 | 0 | 0 | 111.6 | E202 R289 K290 T293 | E202-S296 WeakPolarHBondContact OE2-CB 3.28Å; E202-S296 PolarHBondContact OE2-OG 2.55Å; R289-S296 WeakPolarHBondContact CA-O 3.38Å; K290-S296 WeakPolarHBondContact CB-OG 3.23Å; K290-S296 WeakPolarHBondContact CG-OG 3.49Å; K290-S296 PolarHBondContact N-O 3.17Å; T293-S296 WeakPolarHBondContact OG1-CB 3.46Å; T293-S296 PolarHBondContact OG1-N 2.66Å; T293-S296 PolarHBondContact OG1-OG 2.95Å | ||
| 297 | Y | 85.7 | Confident | 77.5 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.4 | 177.3 | -72.7 | -97.7 | 0 | 0 | 0 | 109.8 | Y207 L254 L256 F273 I275 W287 E288 R289 F295 I769 | Y207-Y297 PolarHBondContact OH-O 3.49Å; L254-Y297 HydrophobicContact CD2-CD2 3.69Å; L254-Y297 HydrophobicContact CD2-CE2 3.3Å; L256-Y297 HydrophobicContact CD1-CD1 4.33Å; L256-Y297 HydrophobicContact CD1-CD2 4.27Å; L256-Y297 HydrophobicContact CD1-CG 4.04Å; L256-Y297 HydrophobicContact CD2-CD2 3.95Å; L256-Y297 HydrophobicContact CD2-CG 4.12Å; F273-Y297 HydrophobicContact CD1-CE1 4.36Å; F273-Y297 HydrophobicContact CE1-CE1 4.05Å; I275-Y297 HydrophobicContact CD1-CE1 3.87Å; W287-Y297 HydrophobicContact CB-CD1 4.04Å; E288-Y297 CarbonylContact O-C 3.54Å; E288-Y297 VanDerWaalsContact O-CA 3.27Å; E288-Y297 WeakPolarHBondContact O-CA 3.4Å; R289-Y297 HydrophobicContact CB-CD1 4.16Å; R289-Y297 HydrophobicContact CB-CE1 3.72Å; R289-Y297 HydrophobicContact CG-CE1 4.26Å; R289-Y297 HydrophobicContact CG-CE2 4.41Å; R289-Y297 PolarHBondContact NE-OH 3.1Å; F295-Y297 WeakPolarHBondContact O-CD2 3.49Å; Y297-I769 HydrophobicContact CE1-CD1 4.49Å; Y297-I769 HydrophobicContact CE2-CD1 3.87Å; Y297-I769 VanDerWaalsContact OH-CD1 3.26Å; Y297-I769 WeakPolarHBondContact OH-CD1 3.45Å |
| 298 | V | 84.4 | Confident | 76.8 | Confident | 65 Ų | 65 | 52.3 Ų | 52.3 | 39% | 0.394 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 119.8 | 168.3 | 179.9 | 0 | 0 | 0 | 0 | 107.9 | W287 E288 K290 | W287-V298 WeakPolarHBondContact CA-O 3.49Å; E288-V298 PolarHBondContact N-O 3.45Å; E288-V298 PolarHBondContact O-N 3.33Å; K290-V298 HydrophobicContact CD-CG2 4.06Å; K290-V298 HydrophobicContact CG-CG2 3.73Å |
| 299 | Q | 87.5 | Confident | 76.2 | Confident | 98 Ų | 98 | 54 Ų | 54 | 46% | 0.458 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.3 | 167.9 | -170.3 | -177.6 | 0.7 | 0 | 0 | 109.1 | S285 W287 | S285-Q299 PolarHBondContact OG-NE2 3.25Å; W287-Q299 HydrophobicContact CD2-CB 4.3Å; W287-Q299 HydrophobicContact CD2-CG 4.25Å; W287-Q299 HydrophobicContact CE3-CB 3.86Å; W287-Q299 HydrophobicContact CE3-CG 4.24Å; W287-Q299 HydrophobicContact CH2-CB 3.82Å; W287-Q299 HydrophobicContact CH2-CG 3.68Å; W287-Q299 VanDerWaalsContact CH2-OE1 3.28Å; W287-Q299 HydrophobicContact CZ2-CB 4.23Å; W287-Q299 VanDerWaalsContact CZ2-CD 3.43Å; W287-Q299 HydrophobicContact CZ2-CG 3.64Å; W287-Q299 HydrophobicContact CZ3-CB 3.63Å; W287-Q299 HydrophobicContact CZ3-CG 4Å |
| 300 | Q | 84.7 | Confident | 75.7 | Confident | 70 Ų | 70 | 55.5 Ų | 55.5 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 126.1 | 170.9 | -175.5 | 172.3 | 7.3 | 0 | 0 | 108.9 | R286 | R286-Q300 PolarHBondContact N-O 3.22Å; R286-Q300 PolarHBondContact O-N 3.36Å |
| 301 | E | 83.3 | Confident | 75.8 | Confident | 81 Ų | 81 | 54.5 Ų | 54.5 | 38% | 0.379 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 127.4 | 172.2 | -164.3 | -170.9 | 151.4 | 0 | 0 | 109.8 | H283 | H283-E301 IonicContact CE1-OE1 3.2Å; H283-E301 PolarHBondContact CE1-OE1 3.07Å; H283-E301 IonicContact CG-OE1 3.53Å; H283-E301 IonicContact ND1-OE1 3.02Å; H283-E301 PolarHBondContact ND1-OE1 3.45Å |
| 302 | E | 78.6 | Confident | 76.1 | Confident | 6 Ų | 6 | 51.2 Ų | 51.2 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 113.4 | 177.6 | -71 | -76.3 | 175.3 | 0 | 0 | 109.4 | L284 R286 I304 G536 M537 | L284-E302 HydrophobicContact CB-CB 4.43Å; L284-E302 HydrophobicContact CD2-CB 4.29Å; L284-E302 HydrophobicContact CG-CB 4.42Å; L284-E302 PolarHBondContact O-N 2.88Å; R286-E302 HydrophobicContact CB-CG 4.01Å; R286-E302 WeakPolarHBondContact CD-OE1 3.34Å; R286-E302 IonicContact CZ-OE1 2.81Å; R286-E302 IonicContact NE-OE1 3.12Å; R286-E302 PolarHBondContact NE-OE1 3.16Å; R286-E302 IonicContact NH1-OE1 3.11Å; R286-E302 PolarHBondContact NH1-OE1 3.13Å; E302-I304 HydrophobicContact CB-CG2 4.04Å; E302-I304 PolarHBondContact O-N 3.27Å; E302-G536 WeakPolarHBondContact OE2-CA 3.27Å; E302-M537 PolarHBondContact OE2-N 2.77Å |
| 303 | M | 70.5 | Confident | 76.4 | Confident | 139 Ų | 139 | 44.8 Ų | 44.8 | 69% | 0.685 | 22% | 0.223 | S | C | * | . | trans | -75 | 70.1 | -179.9 | -66 | -64.2 | 172.6 | 0 | 0 | 111.8 | ||||
| 304 | I | 69.9 | Low | 76.7 | Confident | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -86.2 | -24.1 | -174 | 57.1 | 174 | 0 | 0 | 0 | 113.8 | L284 E302 E306 S307 I308 F403 L427 | L284-I304 HydrophobicContact CB-CD1 3.69Å; L284-I304 HydrophobicContact CB-CG1 4.48Å; L284-I304 HydrophobicContact CD2-CD1 4.04Å; L284-I304 HydrophobicContact CD2-CG2 4.31Å; E302-I304 HydrophobicContact CB-CG2 4.04Å; E302-I304 PolarHBondContact O-N 3.27Å; I304-E306 PolarHBondContact O-N 3.26Å; I304-S307 PolarHBondContact O-N 3.11Å; I304-S307 PolarHBondContact O-OG 3.04Å; I304-I308 HydrophobicContact CB-CD1 4.07Å; I304-I308 HydrophobicContact CD1-CD1 3.87Å; I304-I308 HydrophobicContact CG1-CD1 3.97Å; I304-I308 WeakPolarHBondContact O-CG1 3.35Å; I304-I308 PolarHBondContact O-N 3.13Å; I304-F403 HydrophobicContact CD1-CE2 3.53Å; I304-F403 HydrophobicContact CD1-CZ 3.6Å; I304-L427 HydrophobicContact CD1-CD1 4.46Å; I304-L427 HydrophobicContact CG2-CD1 4.04Å; I304-L427 HydrophobicContact CG2-CD2 4.24Å | ||
| 305 | H | 68.4 | Low | 76.7 | Confident | 48 Ų | 48 | 49.7 Ų | 49.7 | 22% | 0.222 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | -169.7 | -74.5 | -62.1 | 0 | 0 | 0 | 113.5 | N282 S307 I308 D309 | N282-H305 PolarHBondContact O-CE1 2.63Å; N282-H305 PolarHBondContact O-NE2 3.48Å; H305-S307 VanDerWaalsContact C-N 3.33Å; H305-S307 PolarHBondContact O-N 2.81Å; H305-I308 PolarHBondContact O-N 2.76Å; H305-D309 WeakPolarHBondContact O-CB 3.18Å; H305-D309 PolarHBondContact O-N 3.38Å |
| 306 | E | 66.9 | Low | 76.5 | Confident | 154 Ų | 154 | 49.2 Ų | 49.2 | 72% | 0.72 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.7 | -41.3 | 175.6 | -63.2 | -173.6 | 168.4 | 0 | 0 | 111.6 | I304 I308 D309 T310 | I304-E306 PolarHBondContact O-N 3.26Å; E306-I308 VanDerWaalsContact C-N 3.34Å; E306-D309 PolarHBondContact O-N 2.85Å; E306-T310 WeakPolarHBondContact O-CB 3.19Å; E306-T310 VanDerWaalsContact O-CG2 3.23Å; E306-T310 WeakPolarHBondContact O-CG2 3.43Å; E306-T310 PolarHBondContact O-N 2.96Å; E306-T310 PolarHBondContact O-OG1 3.18Å |
| 307 | S | 70.9 | Confident | 76.2 | Confident | 19 Ų | 19 | 51.6 Ų | 51.6 | 13% | 0.133 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -68.3 | -35.2 | 178 | 80.6 | 0 | 0 | 0 | 0 | 112.3 | I304 H305 T310 K311 C539 | I304-S307 PolarHBondContact O-N 3.11Å; I304-S307 PolarHBondContact O-OG 3.04Å; H305-S307 VanDerWaalsContact C-N 3.33Å; H305-S307 PolarHBondContact O-N 2.81Å; S307-T310 WeakPolarHBondContact CA-OG1 3.46Å; S307-T310 PolarHBondContact O-OG1 3.41Å; S307-K311 WeakPolarHBondContact O-CB 3.42Å; S307-K311 WeakPolarHBondContact O-CG 3.25Å; S307-K311 PolarHBondContact O-N 3.47Å; S307-K311 VanDerWaalsContact O-N 3.09Å; S307-C539 WeakPolarHBondContact OG-CB 3.46Å; S307-C539 PolarHBondContact OG-N 3.22Å; S307-C539 VanDerWaalsContact OG-N 3.09Å |
| 308 | I | 75.7 | Confident | 75.7 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -49.6 | 176 | -77.4 | 170.9 | 0 | 0 | 0 | 110 | I304 H305 E306 K311 L312 F403 Y425 C539 | I304-I308 HydrophobicContact CB-CD1 4.07Å; I304-I308 HydrophobicContact CD1-CD1 3.87Å; I304-I308 HydrophobicContact CG1-CD1 3.97Å; I304-I308 WeakPolarHBondContact O-CG1 3.35Å; I304-I308 PolarHBondContact O-N 3.13Å; H305-I308 PolarHBondContact O-N 2.76Å; E306-I308 VanDerWaalsContact C-N 3.34Å; I308-K311 PolarHBondContact O-N 3.33Å; I308-L312 WeakPolarHBondContact O-CB 3.32Å; I308-L312 PolarHBondContact O-N 2.96Å; I308-F403 HydrophobicContact CD1-CZ 4.28Å; I308-Y425 HydrophobicContact CB-CD1 4.35Å; I308-Y425 HydrophobicContact CB-CE1 4.16Å; I308-Y425 HydrophobicContact CD1-CD1 4.07Å; I308-Y425 HydrophobicContact CD1-CD2 4.44Å; I308-Y425 HydrophobicContact CD1-CE1 4.35Å; I308-Y425 HydrophobicContact CD1-CG 4.11Å; I308-Y425 HydrophobicContact CG1-CD1 3.74Å; I308-Y425 HydrophobicContact CG1-CE1 4.03Å; I308-Y425 HydrophobicContact CG1-CG 4.24Å; I308-Y425 HydrophobicContact CG2-CD1 3.91Å; I308-Y425 HydrophobicContact CG2-CE1 3.26Å; I308-C539 HydrophobicContact CG1-CB 4.08Å |
| 309 | D | 73.7 | Confident | 75.1 | Confident | 56 Ų | 56 | 55.2 Ų | 55.2 | 30% | 0.299 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.4 | -40.7 | -177.4 | -74.4 | -24.6 | 0 | 0 | 0 | 110.9 | H305 E306 L312 S313 L341 K401 | H305-D309 WeakPolarHBondContact O-CB 3.18Å; H305-D309 PolarHBondContact O-N 3.38Å; E306-D309 PolarHBondContact O-N 2.85Å; D309-L312 PolarHBondContact O-N 3.38Å; D309-S313 VanDerWaalsContact O-CB 3.26Å; D309-S313 WeakPolarHBondContact O-CB 3.35Å; D309-S313 PolarHBondContact O-N 2.83Å; D309-S313 PolarHBondContact O-OG 3.05Å; D309-L341 HydrophobicContact CB-CD2 4.19Å; D309-K401 IonicContact OD1-NZ 2.66Å; D309-K401 PolarHBondContact OD1-NZ 3.02Å; D309-K401 IonicContact OD2-NZ 3.39Å |
| 310 | T | 75.1 | Confident | 74.3 | Confident | 59 Ų | 59 | 51.2 Ų | 51.2 | 36% | 0.362 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.1 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | E306 S307 S313 E314 | E306-T310 WeakPolarHBondContact O-CB 3.19Å; E306-T310 VanDerWaalsContact O-CG2 3.23Å; E306-T310 WeakPolarHBondContact O-CG2 3.43Å; E306-T310 PolarHBondContact O-N 2.96Å; E306-T310 PolarHBondContact O-OG1 3.18Å; S307-T310 WeakPolarHBondContact CA-OG1 3.46Å; S307-T310 PolarHBondContact O-OG1 3.41Å; T310-S313 WeakPolarHBondContact O-CB 3.35Å; T310-S313 PolarHBondContact O-N 2.76Å; T310-E314 WeakPolarHBondContact O-CG 3.01Å; T310-E314 PolarHBondContact O-N 3.38Å |
| 311 | K | 78.3 | Confident | 73.6 | Confident | 69 Ų | 69 | 55 Ų | 55 | 30% | 0.3 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.6 | -37.1 | 177.9 | -76.3 | -75.1 | 166.9 | -155.5 | 0 | 113.1 | S307 I308 S313 E314 W315 C539 V542 | S307-K311 WeakPolarHBondContact O-CB 3.42Å; S307-K311 WeakPolarHBondContact O-CG 3.25Å; S307-K311 PolarHBondContact O-N 3.47Å; S307-K311 VanDerWaalsContact O-N 3.09Å; I308-K311 PolarHBondContact O-N 3.33Å; K311-S313 VanDerWaalsContact C-N 3.31Å; K311-E314 WeakPolarHBondContact CD-OE2 3.41Å; K311-E314 WeakPolarHBondContact CE-OE2 3.02Å; K311-E314 IonicContact NZ-OE2 3.6Å; K311-E314 PolarHBondContact NZ-OE2 3.24Å; K311-E314 PolarHBondContact O-N 2.64Å; K311-W315 WeakPolarHBondContact O-CB 3.47Å; K311-W315 PolarHBondContact O-N 3.16Å; K311-C539 HydrophobicContact CG-CB 4.18Å; K311-C539 WeakPolarHBondContact CG-O 3.45Å; K311-V542 HydrophobicContact CB-CG2 3.55Å |
| 312 | L | 73.3 | Confident | 72.9 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.1 | -40.6 | 174.3 | -177.2 | 66.7 | 0 | 0 | 0 | 110.4 | I308 D309 W315 L316 L395 V542 V544 | I308-L312 WeakPolarHBondContact O-CB 3.32Å; I308-L312 PolarHBondContact O-N 2.96Å; D309-L312 PolarHBondContact O-N 3.38Å; L312-W315 PolarHBondContact O-N 2.87Å; L312-L316 HydrophobicContact CG-CD1 4.25Å; L312-L316 VanDerWaalsContact O-CB 3.3Å; L312-L316 WeakPolarHBondContact O-CB 3.29Å; L312-L316 VanDerWaalsContact O-CG 3.27Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 2.77Å; L312-L395 HydrophobicContact CD1-CD1 4.24Å; L312-L395 HydrophobicContact CD1-CD2 4.14Å; L312-V542 HydrophobicContact CD1-CG1 3.91Å; L312-V544 HydrophobicContact CD1-CG2 4.09Å |
| 313 | S | 73.2 | Confident | 72.2 | Confident | 5 Ų | 5 | 56.5 Ų | 56.5 | 4% | 0.035 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 173 | -74.1 | 0 | 0 | 0 | 0 | 113.2 | D309 T310 K311 L316 Q317 L341 | D309-S313 VanDerWaalsContact O-CB 3.26Å; D309-S313 WeakPolarHBondContact O-CB 3.35Å; D309-S313 PolarHBondContact O-N 2.83Å; D309-S313 PolarHBondContact O-OG 3.05Å; T310-S313 WeakPolarHBondContact O-CB 3.35Å; T310-S313 PolarHBondContact O-N 2.76Å; K311-S313 VanDerWaalsContact C-N 3.31Å; S313-L316 PolarHBondContact O-N 2.78Å; S313-Q317 WeakPolarHBondContact O-CB 3.09Å; S313-Q317 VanDerWaalsContact O-CG 3.31Å; S313-Q317 WeakPolarHBondContact O-CG 3.37Å; S313-Q317 PolarHBondContact O-N 3.48Å; S313-L341 WeakPolarHBondContact CB-O 3.27Å; S313-L341 VanDerWaalsContact OG-C 3.31Å; S313-L341 VanDerWaalsContact OG-CA 3.31Å; S313-L341 WeakPolarHBondContact OG-CA 3.38Å; S313-L341 WeakPolarHBondContact OG-CB 3.33Å; S313-L341 WeakPolarHBondContact OG-CD2 3.25Å; S313-L341 PolarHBondContact OG-O 2.97Å |
| 314 | E | 76.4 | Confident | 71.5 | Confident | 76 Ų | 76 | 51.1 Ų | 51.1 | 36% | 0.355 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -58.1 | -49.3 | 174.4 | -75.8 | 176.5 | -178.5 | 0 | 0 | 110.7 | T310 K311 L316 Q317 D318 L343 | T310-E314 WeakPolarHBondContact O-CG 3.01Å; T310-E314 PolarHBondContact O-N 3.38Å; K311-E314 WeakPolarHBondContact CD-OE2 3.41Å; K311-E314 WeakPolarHBondContact CE-OE2 3.02Å; K311-E314 IonicContact NZ-OE2 3.6Å; K311-E314 PolarHBondContact NZ-OE2 3.24Å; K311-E314 PolarHBondContact O-N 2.64Å; E314-L316 VanDerWaalsContact C-N 3.35Å; E314-L316 PolarHBondContact O-N 3.32Å; E314-Q317 PolarHBondContact O-N 3.44Å; E314-D318 PolarHBondContact O-N 2.74Å; E314-L343 HydrophobicContact CG-CD1 4.23Å |
| 315 | W | 76.5 | Confident | 70.9 | Confident | 55 Ų | 55 | 57.4 Ų | 57.4 | 21% | 0.208 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.4 | -179.8 | 94.4 | 0 | 0 | 0 | 112.2 | K311 L312 Q317 D318 K319 I393 V544 | K311-W315 WeakPolarHBondContact O-CB 3.47Å; K311-W315 PolarHBondContact O-N 3.16Å; L312-W315 PolarHBondContact O-N 2.87Å; W315-Q317 VanDerWaalsContact C-N 3.35Å; W315-D318 PolarHBondContact O-N 2.87Å; W315-K319 HydrophobicContact CD2-CG 4.01Å; W315-K319 HydrophobicContact CE3-CG 4.21Å; W315-K319 HydrophobicContact CH2-CD 4.46Å; W315-K319 HydrophobicContact CH2-CG 3.84Å; W315-K319 HydrophobicContact CZ2-CD 4.09Å; W315-K319 HydrophobicContact CZ2-CG 3.63Å; W315-K319 HydrophobicContact CZ3-CG 4.13Å; W315-K319 WeakPolarHBondContact O-CB 3.43Å; W315-K319 PolarHBondContact O-N 3.3Å; W315-I393 HydrophobicContact CH2-CD1 4.41Å; W315-I393 HydrophobicContact CH2-CG1 4.46Å; W315-I393 HydrophobicContact CH2-CG2 4.01Å; W315-I393 HydrophobicContact CZ3-CD1 4.24Å; W315-I393 HydrophobicContact CZ3-CG2 3.78Å; W315-V544 HydrophobicContact CD2-CG2 4.26Å; W315-V544 HydrophobicContact CE3-CG2 4.28Å; W315-V544 HydrophobicContact CH2-CB 3.69Å; W315-V544 HydrophobicContact CH2-CG1 3.76Å; W315-V544 HydrophobicContact CH2-CG2 4.3Å; W315-V544 HydrophobicContact CZ2-CB 3.61Å; W315-V544 HydrophobicContact CZ2-CG1 4.19Å; W315-V544 HydrophobicContact CZ2-CG2 4.26Å; W315-V544 HydrophobicContact CZ3-CB 4.15Å; W315-V544 HydrophobicContact CZ3-CG1 4.15Å; W315-V544 HydrophobicContact CZ3-CG2 4.31Å |
| 316 | L | 73.6 | Confident | 70.1 | Confident | 11 Ų | 11 | 62.9 Ų | 62.9 | 6% | 0.058 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.5 | -83.8 | 167.8 | 0 | 0 | 0 | 111.2 | L312 S313 E314 L320 L337 I393 L395 | L312-L316 HydrophobicContact CG-CD1 4.25Å; L312-L316 VanDerWaalsContact O-CB 3.3Å; L312-L316 WeakPolarHBondContact O-CB 3.29Å; L312-L316 VanDerWaalsContact O-CG 3.27Å; L312-L316 WeakPolarHBondContact O-CG 3.41Å; L312-L316 PolarHBondContact O-N 2.77Å; S313-L316 PolarHBondContact O-N 2.78Å; E314-L316 VanDerWaalsContact C-N 3.35Å; E314-L316 PolarHBondContact O-N 3.32Å; L316-L320 VanDerWaalsContact O-CB 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.26Å; L316-L320 WeakPolarHBondContact O-CG 3.5Å; L316-L320 PolarHBondContact O-N 2.99Å; L316-L337 HydrophobicContact CD1-CD2 3.7Å; L316-L337 HydrophobicContact CD2-CD2 4.47Å; L316-I393 HydrophobicContact CD2-CD1 4.28Å; L316-I393 HydrophobicContact CD2-CG2 4.08Å; L316-L395 HydrophobicContact CD1-CD1 3.93Å; L316-L395 HydrophobicContact CD2-CD1 3.85Å; L316-L395 HydrophobicContact CG-CD1 4.21Å |
| 317 | Q | 73.5 | Confident | 69.3 | Low | 51 Ų | 51 | 58.3 Ų | 58.3 | 24% | 0.238 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 176.7 | -74.4 | -178.6 | 15.6 | 0 | 0 | 111.7 | S313 E314 W315 L320 R321 | S313-Q317 WeakPolarHBondContact O-CB 3.09Å; S313-Q317 VanDerWaalsContact O-CG 3.31Å; S313-Q317 WeakPolarHBondContact O-CG 3.37Å; S313-Q317 PolarHBondContact O-N 3.48Å; E314-Q317 PolarHBondContact O-N 3.44Å; W315-Q317 VanDerWaalsContact C-N 3.35Å; Q317-L320 PolarHBondContact O-N 3.27Å; Q317-R321 WeakPolarHBondContact O-CB 3.41Å; Q317-R321 VanDerWaalsContact O-CG 3.22Å; Q317-R321 WeakPolarHBondContact O-CG 3.32Å; Q317-R321 PolarHBondContact O-N 3.21Å |
| 318 | D | 75.2 | Confident | 68.4 | Low | 83 Ų | 83 | 67.9 Ų | 67.9 | 44% | 0.444 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -68 | -43.8 | 178 | -76.1 | -13.6 | 0 | 0 | 0 | 111.7 | E314 W315 L320 R321 T322 | E314-D318 PolarHBondContact O-N 2.74Å; W315-D318 PolarHBondContact O-N 2.87Å; D318-L320 PolarHBondContact O-N 3Å; D318-R321 WeakPolarHBondContact O-CB 3.39Å; D318-R321 PolarHBondContact O-N 3.24Å; D318-R321 IonicContact OD1-NH1 2.73Å; D318-R321 PolarHBondContact OD1-NH1 3.27Å; D318-T322 WeakPolarHBondContact O-CG2 3.42Å; D318-T322 PolarHBondContact O-N 2.91Å; D318-T322 PolarHBondContact O-OG1 2.97Å |
| 319 | K | 72.2 | Confident | 67.3 | Low | 66 Ų | 66 | 73 Ų | 73 | 29% | 0.287 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 172.2 | -82 | -75.7 | -170.1 | 168.8 | 0 | 111.4 | W315 R321 T322 Q323 I393 E545 | W315-K319 HydrophobicContact CD2-CG 4.01Å; W315-K319 HydrophobicContact CE3-CG 4.21Å; W315-K319 HydrophobicContact CH2-CD 4.46Å; W315-K319 HydrophobicContact CH2-CG 3.84Å; W315-K319 HydrophobicContact CZ2-CD 4.09Å; W315-K319 HydrophobicContact CZ2-CG 3.63Å; W315-K319 HydrophobicContact CZ3-CG 4.13Å; W315-K319 WeakPolarHBondContact O-CB 3.43Å; W315-K319 PolarHBondContact O-N 3.3Å; K319-R321 VanDerWaalsContact C-N 3.31Å; K319-R321 PolarHBondContact O-N 3.35Å; K319-T322 WeakPolarHBondContact CA-OG1 3.49Å; K319-T322 PolarHBondContact O-N 3.16Å; K319-T322 PolarHBondContact O-OG1 3.25Å; K319-Q323 WeakPolarHBondContact O-CB 3.27Å; K319-Q323 WeakPolarHBondContact O-CG 3.21Å; K319-Q323 PolarHBondContact O-N 2.82Å; K319-I393 HydrophobicContact CB-CD1 3.92Å; K319-E545 IonicContact NZ-OE1 3.14Å |
| 320 | L | 69.8 | Low | 66.3 | Low | 14 Ų | 14 | 73 Ų | 73 | 7% | 0.073 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61 | -38 | 174.7 | -76 | 171 | 0 | 0 | 0 | 111.7 | L316 Q317 D318 A324 L333 K334 L337 | L316-L320 VanDerWaalsContact O-CB 3.23Å; L316-L320 WeakPolarHBondContact O-CB 3.26Å; L316-L320 WeakPolarHBondContact O-CG 3.5Å; L316-L320 PolarHBondContact O-N 2.99Å; Q317-L320 PolarHBondContact O-N 3.27Å; D318-L320 PolarHBondContact O-N 3Å; L320-A324 WeakPolarHBondContact O-CA 3.09Å; L320-A324 WeakPolarHBondContact O-CB 3.47Å; L320-A324 PolarHBondContact O-N 3.47Å; L320-L333 HydrophobicContact CD2-CB 3.96Å; L320-L333 HydrophobicContact CD2-CD1 4.09Å; L320-L333 HydrophobicContact CD2-CD2 4.44Å; L320-L333 HydrophobicContact CD2-CG 4.4Å; L320-K334 HydrophobicContact CD1-CG 4.49Å; L320-L337 HydrophobicContact CD1-CD1 3.83Å |
| 321 | R | 71.3 | Confident | 65.3 | Low | 149 Ų | 149 | 78.2 Ų | 78.2 | 56% | 0.562 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -65.3 | -44.3 | 173.9 | -76.5 | 167.9 | -179.6 | 162.4 | -2.3 | 111.8 | Q317 D318 K319 Q323 A324 V325 | Q317-R321 WeakPolarHBondContact O-CB 3.41Å; Q317-R321 VanDerWaalsContact O-CG 3.22Å; Q317-R321 WeakPolarHBondContact O-CG 3.32Å; Q317-R321 PolarHBondContact O-N 3.21Å; D318-R321 WeakPolarHBondContact O-CB 3.39Å; D318-R321 PolarHBondContact O-N 3.24Å; D318-R321 IonicContact OD1-NH1 2.73Å; D318-R321 PolarHBondContact OD1-NH1 3.27Å; K319-R321 VanDerWaalsContact C-N 3.31Å; K319-R321 PolarHBondContact O-N 3.35Å; R321-Q323 VanDerWaalsContact C-N 3.35Å; R321-A324 WeakPolarHBondContact O-CB 3.48Å; R321-A324 PolarHBondContact O-N 2.95Å; R321-V325 VanDerWaalsContact O-CG2 3.22Å; R321-V325 WeakPolarHBondContact O-CG2 3.48Å; R321-V325 PolarHBondContact O-N 2.75Å |
| 322 | T | 68.4 | Low | 64.1 | Low | 82 Ų | 82 | 81.6 Ų | 81.6 | 50% | 0.503 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 177.1 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | D318 K319 | D318-T322 WeakPolarHBondContact O-CG2 3.42Å; D318-T322 PolarHBondContact O-N 2.91Å; D318-T322 PolarHBondContact O-OG1 2.97Å; K319-T322 WeakPolarHBondContact CA-OG1 3.49Å; K319-T322 PolarHBondContact O-N 3.16Å; K319-T322 PolarHBondContact O-OG1 3.25Å |
| 323 | Q | 64.3 | Low | 62.8 | Low | 37 Ų | 37 | 84.6 Ų | 84.6 | 17% | 0.173 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -74.7 | -34.6 | 173.5 | -73.2 | -175.5 | -15.3 | 0 | 0 | 112.1 | K319 R321 V325 Q326 T327 K391 | K319-Q323 WeakPolarHBondContact O-CB 3.27Å; K319-Q323 WeakPolarHBondContact O-CG 3.21Å; K319-Q323 PolarHBondContact O-N 2.82Å; R321-Q323 VanDerWaalsContact C-N 3.35Å; Q323-V325 VanDerWaalsContact C-N 3.32Å; Q323-V325 PolarHBondContact O-N 3.19Å; Q323-Q326 CarbonylContact O-C 3.54Å; Q323-Q326 VanDerWaalsContact O-C 3.3Å; Q323-Q326 WeakPolarHBondContact O-CA 3.2Å; Q323-Q326 VanDerWaalsContact O-CB 3.25Å; Q323-Q326 WeakPolarHBondContact O-CB 3.46Å; Q323-Q326 PolarHBondContact O-N 3.5Å; Q323-T327 PolarHBondContact O-N 3.27Å; Q323-T327 PolarHBondContact O-OG1 3.06Å; Q323-T327 VanDerWaalsContact O-OG1 3.06Å; Q323-K391 PolarHBondContact NE2-O 3.41Å; Q323-K391 VanDerWaalsContact NE2-O 3.14Å |
| 324 | A | 56 | Low | 61.7 | Low | 25 Ų | 25 | 89.2 Ų | 89.2 | 21% | 0.207 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L320 R321 Q326 T327 I330 | L320-A324 WeakPolarHBondContact O-CA 3.09Å; L320-A324 WeakPolarHBondContact O-CB 3.47Å; L320-A324 PolarHBondContact O-N 3.47Å; R321-A324 WeakPolarHBondContact O-CB 3.48Å; R321-A324 PolarHBondContact O-N 2.95Å; A324-Q326 PolarHBondContact O-N 3.32Å; A324-Q326 VanDerWaalsContact O-N 3.14Å; A324-T327 PolarHBondContact O-N 3.21Å; A324-T327 VanDerWaalsContact O-O 3.11Å; A324-I330 HydrophobicContact CB-CD1 3.17Å; A324-I330 HydrophobicContact CB-CG1 3.44Å; A324-I330 VanDerWaalsContact CB-CG1 3.44Å |
| 325 | V | 56.8 | Low | 60.5 | Low | 134 Ų | 134 | 89.7 Ų | 89.7 | 81% | 0.812 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -23.2 | 170.7 | 177.1 | 0 | 0 | 0 | 0 | 110.7 | R321 Q323 | R321-V325 VanDerWaalsContact O-CG2 3.22Å; R321-V325 WeakPolarHBondContact O-CG2 3.48Å; R321-V325 PolarHBondContact O-N 2.75Å; Q323-V325 VanDerWaalsContact C-N 3.32Å; Q323-V325 PolarHBondContact O-N 3.19Å |
| 326 | Q | 52.1 | Low | 59.2 | Low | 162 Ų | 162 | 91.2 Ų | 91.2 | 76% | 0.757 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -20 | 177.3 | -58 | 178.7 | -8.6 | 0 | 0 | 113.9 | Q323 A324 | Q323-Q326 CarbonylContact O-C 3.54Å; Q323-Q326 VanDerWaalsContact O-C 3.3Å; Q323-Q326 WeakPolarHBondContact O-CA 3.2Å; Q323-Q326 VanDerWaalsContact O-CB 3.25Å; Q323-Q326 WeakPolarHBondContact O-CB 3.46Å; Q323-Q326 PolarHBondContact O-N 3.5Å; A324-Q326 PolarHBondContact O-N 3.32Å; A324-Q326 VanDerWaalsContact O-N 3.14Å |
| 327 | T | 50 | Low | 58 | Low | 59 Ų | 59 | 92 Ų | 92 | 36% | 0.362 | 47% | 0.47 | S | S | . | . | trans | -142.8 | 130.8 | -173.9 | 58 | 0 | 0 | 0 | 0 | 114.1 | Q323 A324 E329 | Q323-T327 PolarHBondContact O-N 3.27Å; Q323-T327 PolarHBondContact O-OG1 3.06Å; Q323-T327 VanDerWaalsContact O-OG1 3.06Å; A324-T327 PolarHBondContact O-N 3.21Å; A324-T327 VanDerWaalsContact O-O 3.11Å; T327-E329 PolarHBondContact O-N 3.43Å; T327-E329 VanDerWaalsContact O-N 3.17Å | ||
| 328 | K | 51.8 | Low | 56.5 | Low | 219 Ų | 219 | 92.2 Ų | 92.2 | 95% | 0.952 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -71.9 | 3.3 | 178.6 | -80.9 | -177.1 | 174.9 | 178.9 | 0 | 115.2 | ||
| 329 | E | 51.9 | Low | 55.2 | Low | 111 Ų | 111 | 97.3 Ų | 97.3 | 52% | 0.519 | 49% | 0.494 | S | S | . | . | trans | -108 | 43.6 | -172.2 | -63.6 | -151 | 136.3 | 0 | 0 | 114.4 | T327 K332 | T327-E329 PolarHBondContact O-N 3.43Å; T327-E329 VanDerWaalsContact O-N 3.17Å; E329-K332 IonicContact OE1-NZ 3.72Å; E329-K332 PolarHBondContact OE1-NZ 3.31Å; E329-K332 IonicContact OE2-NZ 2.71Å | ||
| 330 | I | 52.3 | Low | 53.9 | Low | 56 Ų | 56 | 100.6 Ų | 100.6 | 29% | 0.287 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.2 | -38 | -177.6 | -53.1 | 166.3 | 0 | 0 | 0 | 112 | A324 L333 K334 | A324-I330 HydrophobicContact CB-CD1 3.17Å; A324-I330 HydrophobicContact CB-CG1 3.44Å; A324-I330 VanDerWaalsContact CB-CG1 3.44Å; I330-L333 PolarHBondContact O-N 3.39Å; I330-K334 HydrophobicContact CG2-CD 4.09Å; I330-K334 HydrophobicContact CG2-CG 4.3Å; I330-K334 WeakPolarHBondContact O-CG 3.31Å; I330-K334 PolarHBondContact O-N 2.85Å |
| 331 | E | 54.7 | Low | 52.7 | Low | 168 Ų | 168 | 101.1 Ų | 101.1 | 79% | 0.785 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.1 | -36.3 | -173.5 | -67 | -167.4 | 157.2 | 0 | 0 | 112.6 | K334 A335 | E331-K334 PolarHBondContact O-N 3.24Å; E331-A335 WeakPolarHBondContact O-CB 3.39Å; E331-A335 PolarHBondContact O-N 2.89Å |
| 332 | K | 53.5 | Low | 51.5 | Low | 140 Ų | 140 | 97.2 Ų | 97.2 | 61% | 0.609 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.8 | -40.5 | 173.8 | -72.9 | -179.4 | -177.9 | 168.2 | 0 | 111.8 | E329 A335 S336 | E329-K332 IonicContact OE1-NZ 3.72Å; E329-K332 PolarHBondContact OE1-NZ 3.31Å; E329-K332 IonicContact OE2-NZ 2.71Å; K332-A335 PolarHBondContact O-N 3.48Å; K332-S336 PolarHBondContact O-N 3.35Å |
| 333 | L | 45.4 | Very low | 50.2 | Low | 74 Ų | 74 | 96.9 Ų | 96.9 | 39% | 0.387 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68 | -44.6 | 175.5 | -95.9 | 159.2 | 0 | 0 | 0 | 111.8 | L320 I330 A335 S336 L337 | L320-L333 HydrophobicContact CD2-CB 3.96Å; L320-L333 HydrophobicContact CD2-CD1 4.09Å; L320-L333 HydrophobicContact CD2-CD2 4.44Å; L320-L333 HydrophobicContact CD2-CG 4.4Å; I330-L333 PolarHBondContact O-N 3.39Å; L333-A335 VanDerWaalsContact C-N 3.25Å; L333-A335 PolarHBondContact O-N 3.43Å; L333-S336 PolarHBondContact O-N 2.87Å; L333-S336 PolarHBondContact O-OG 3.47Å; L333-L337 WeakPolarHBondContact O-CD1 3.12Å |
| 334 | K | 49.8 | Very low | 48.7 | Very low | 102 Ų | 102 | 100.5 Ų | 100.5 | 44% | 0.443 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.4 | -35 | 174.4 | -76 | -179.5 | 178.7 | 177.2 | 0 | 112.5 | L320 I330 E331 S336 L337 | L320-K334 HydrophobicContact CD1-CG 4.49Å; I330-K334 HydrophobicContact CG2-CD 4.09Å; I330-K334 HydrophobicContact CG2-CG 4.3Å; I330-K334 WeakPolarHBondContact O-CG 3.31Å; I330-K334 PolarHBondContact O-N 2.85Å; E331-K334 PolarHBondContact O-N 3.24Å; K334-S336 VanDerWaalsContact C-N 3.28Å; K334-S336 PolarHBondContact O-N 3.46Å; K334-L337 PolarHBondContact O-N 2.88Å |
| 335 | A | 52.6 | Low | 47.5 | Very low | 86 Ų | 86 | 105.9 Ų | 105.9 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -68.3 | -23.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | E331 K332 L333 | E331-A335 WeakPolarHBondContact O-CB 3.39Å; E331-A335 PolarHBondContact O-N 2.89Å; K332-A335 PolarHBondContact O-N 3.48Å; L333-A335 VanDerWaalsContact C-N 3.25Å; L333-A335 PolarHBondContact O-N 3.43Å |
| 336 | S | 48.5 | Very low | 46.4 | Very low | 87 Ų | 87 | 109.9 Ų | 109.9 | 61% | 0.608 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85.7 | -10.2 | 174.8 | 72.8 | 0 | 0 | 0 | 0 | 113.5 | K332 L333 K334 | K332-S336 PolarHBondContact O-N 3.35Å; L333-S336 PolarHBondContact O-N 2.87Å; L333-S336 PolarHBondContact O-OG 3.47Å; K334-S336 VanDerWaalsContact C-N 3.28Å; K334-S336 PolarHBondContact O-N 3.46Å |
| 337 | L | 47.7 | Very low | 45.3 | Very low | 28 Ų | 28 | 106.1 Ų | 106.1 | 15% | 0.147 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -86.7 | 131.3 | 172.9 | -80.4 | 133.5 | 0 | 0 | 0 | 110.6 | L316 L320 L333 K334 | L316-L337 HydrophobicContact CD1-CD2 3.7Å; L316-L337 HydrophobicContact CD2-CD2 4.47Å; L320-L337 HydrophobicContact CD1-CD1 3.83Å; L333-L337 WeakPolarHBondContact O-CD1 3.12Å; K334-L337 PolarHBondContact O-N 2.88Å |
| 338 | P | 42.3 | Very low | 44.2 | Very low | 55 Ų | 55 | 109.6 Ų | 109.6 | 36% | 0.357 | 57% | 0.573 | S | S | . | * | trans | -65.7 | 143.5 | 178.1 | 25.4 | -31.2 | 0 | 0 | 0 | 110.8 | T340 L341 | P338-T340 PolarHBondContact O-N 3.48Å; P338-L341 HydrophobicContact CG-CD1 4.2Å; P338-L341 PolarHBondContact O-N 2.92Å | ||
| 339 | K | 48.4 | Very low | 42.8 | Very low | 189 Ų | 189 | 108 Ų | 108 | 82% | 0.822 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -56.3 | -23.5 | -174.3 | -65.5 | -179.9 | 179.8 | 178.4 | 0 | 114 | L341 L342 | K339-L341 VanDerWaalsContact C-N 3.32Å; K339-L341 PolarHBondContact O-N 2.91Å; K339-L342 PolarHBondContact O-N 3.21Å |
| 340 | T | 44.1 | Very low | 41.6 | Very low | 136 Ų | 136 | 113.4 Ų | 113.4 | 83% | 0.834 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -67.5 | -25.1 | 177.5 | 31.7 | 0 | 0 | 0 | 0 | 114.3 | P338 | P338-T340 PolarHBondContact O-N 3.48Š|
| 341 | L | 44.2 | Very low | 40.4 | Very low | 24 Ų | 24 | 116 Ų | 116 | 13% | 0.126 | 61% | 0.611 | C | S | . | * | G | 310 helix | trans | -92.9 | -4.3 | 176.9 | -74.3 | 163.5 | 0 | 0 | 0 | 112.8 | D309 S313 P338 K339 L343 | D309-L341 HydrophobicContact CB-CD2 4.19Å; S313-L341 WeakPolarHBondContact CB-O 3.27Å; S313-L341 VanDerWaalsContact OG-C 3.31Å; S313-L341 VanDerWaalsContact OG-CA 3.31Å; S313-L341 WeakPolarHBondContact OG-CA 3.38Å; S313-L341 WeakPolarHBondContact OG-CB 3.33Å; S313-L341 WeakPolarHBondContact OG-CD2 3.25Å; S313-L341 PolarHBondContact OG-O 2.97Å; P338-L341 HydrophobicContact CG-CD1 4.2Å; P338-L341 PolarHBondContact O-N 2.92Å; K339-L341 VanDerWaalsContact C-N 3.32Å; K339-L341 PolarHBondContact O-N 2.91Å; L341-L343 PolarHBondContact O-N 3.29Å |
| 342 | L | 46.4 | Very low | 39 | Very low | 68 Ų | 68 | 112.3 Ų | 112.3 | 36% | 0.356 | 61% | 0.61 | S | S | . | * | S | Bend | trans | -88 | 102.9 | 173.4 | -68 | 167.8 | 0 | 0 | 0 | 107.6 | K339 | K339-L342 PolarHBondContact O-N 3.21Š|
| 343 | L | 40.8 | Very low | 37.7 | Very low | 74 Ų | 74 | 115.2 Ų | 115.2 | 39% | 0.387 | 62% | 0.623 | S | S | . | * | trans | -47.1 | 126.4 | 170.1 | -83.7 | 133.4 | 0 | 0 | 0 | 109 | E314 L341 N345 | E314-L343 HydrophobicContact CG-CD1 4.23Å; L341-L343 PolarHBondContact O-N 3.29Å; L343-N345 PolarHBondContact O-N 3.17Å | ||
| 344 | P | 33.4 | Very low | 36.8 | Very low | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 65% | 0.649 | S | S | * | * | trans | -58.1 | 126 | 173.8 | -20.6 | 30.6 | 0 | 0 | 0 | 109 | K346 | P344-K346 PolarHBondContact O-N 2.7Š| ||
| 345 | N | 30.3 | Very low | 35.7 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 74% | 0.738 | 66% | 0.661 | S | S | * | * | trans | -53.6 | 112.7 | 173.6 | -84.2 | -15 | 0 | 0 | 0 | 108.7 | L343 S347 | L343-N345 PolarHBondContact O-N 3.17Å; N345-S347 PolarHBondContact O-N 2.73Å | ||
| 346 | K | 33.6 | Very low | 34.2 | Very low | 218 Ų | 218 | 128.2 Ų | 128.2 | 95% | 0.948 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 3.5 | 175.3 | -80.7 | -173.1 | 175.2 | -179.4 | 0 | 114 | P344 | P344-K346 PolarHBondContact O-N 2.7Š|
| 347 | S | 29.6 | Very low | 33 | Very low | 83 Ų | 83 | 129.3 Ų | 129.3 | 58% | 0.58 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -8.5 | -176 | 62.3 | 0 | 0 | 0 | 0 | 115.9 | N345 | N345-S347 PolarHBondContact O-N 2.73Š|
| 348 | N | 26.7 | Very low | 31.9 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 71% | 0.711 | 70% | 0.701 | S | S | * | * | trans | -122 | 33.8 | -172.1 | -78.9 | 11.1 | 0 | 0 | 0 | 115.7 | Y350 | N348-Y350 VanDerWaalsContact C-N 3.31Š| ||
| 349 | M | 23.7 | Very low | 31 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 91% | 0.906 | 73% | 0.727 | S | S | * | * | trans | -92.7 | 25.1 | 167.7 | -74.6 | -158.6 | 79 | 0 | 0 | 114.3 | ||||
| 350 | Y | 26.2 | Very low | 29.7 | Very low | 226 Ų | 226 | 137.5 Ų | 137.5 | 89% | 0.886 | 73% | 0.725 | S | S | * | * | trans | -108.8 | 77.8 | 164.6 | -71.8 | -82.4 | 0 | 0 | 0 | 110.1 | N348 | N348-Y350 VanDerWaalsContact C-N 3.31Š| ||
| 351 | S | 26.2 | Very low | 28.8 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 76% | 0.762 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -176.2 | 117.1 | 147.6 | 40 | 0 | 0 | 0 | 0 | 112.3 | ||
| 352 | A | 26 | Very low | 28 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | trans | 45.2 | 107.5 | 146.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 353 | K | 25.1 | Very low | 26.8 | Very low | 202 Ų | 202 | 150.7 Ų | 150.7 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | 47.9 | 100.6 | 125.6 | -65.5 | 178.9 | 176.6 | 177.5 | 0 | 117.2 | |||||
| 354 | R | 26.9 | Very low | 26.2 | Very low | 248 Ų | 248 | 153.6 Ų | 153.6 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | -176.2 | 128.4 | 115.8 | -105 | 170.1 | 175.4 | 172.3 | -1.2 | 112.2 | |||||
| 355 | S | 26.7 | Very low | 25.8 | Very low | 99 Ų | 99 | 157.7 Ų | 157.7 | 69% | 0.692 | 80% | 0.798 | S | S | * | * | trans | 64.9 | 91.2 | 144.9 | -171.1 | 0 | 0 | 0 | 0 | 118.2 | T357 | S355-T357 PolarHBondContact O-N 2.69Å; S355-T357 VanDerWaalsContact O-N 3.15Å | ||
| 356 | M | 22.2 | Very low | 25.6 | Very low | 188 Ų | 188 | 157 Ų | 157 | 93% | 0.926 | 79% | 0.793 | S | S | * | * | trans | -46.9 | 108.8 | 152.2 | -73.5 | -85.2 | -70.3 | 0 | 0 | 111.1 | ||||
| 357 | T | 23.6 | Very low | 25.1 | Very low | 110 Ų | 110 | 153.6 Ų | 153.6 | 68% | 0.675 | 79% | 0.791 | S | S | * | * | trans | -117.4 | 116.9 | 152.8 | 48.2 | 0 | 0 | 0 | 0 | 107 | S355 Y359 | S355-T357 PolarHBondContact O-N 2.69Å; S355-T357 VanDerWaalsContact O-N 3.15Å; T357-Y359 PolarHBondContact O-N 2.71Å | ||
| 358 | A | 24.5 | Very low | 24.8 | Very low | 86 Ų | 86 | 154.3 Ų | 154.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -50.7 | 127.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | T360 | A358-T360 VanDerWaalsContact C-N 3.26Å; A358-T360 PolarHBondContact O-N 3.2Å | ||
| 359 | Y | 23.5 | Very low | 24.6 | Very low | 231 Ų | 231 | 159.6 Ų | 159.6 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -68.3 | 86.6 | 170.1 | -75.9 | -88 | 0 | 0 | 0 | 108.8 | T357 Y361 | T357-Y359 PolarHBondContact O-N 2.71Å; Y359-Y361 PolarHBondContact O-N 3Å | ||
| 360 | T | 20.6 | Very low | 24.7 | Very low | 126 Ų | 126 | 158.6 Ų | 158.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -73.9 | 116.2 | 158.3 | 32.9 | 0 | 0 | 0 | 0 | 108.2 | A358 | A358-T360 VanDerWaalsContact C-N 3.26Å; A358-T360 PolarHBondContact O-N 3.2Å | ||
| 361 | Y | 24.8 | Very low | 24.6 | Very low | 212 Ų | 212 | 156.9 Ų | 156.9 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -54 | 131.7 | 166.6 | -93.9 | -96.5 | 0 | 0 | 0 | 109.5 | Y359 Q363 | Y359-Y361 PolarHBondContact O-N 3Å; Y361-Q363 PolarHBondContact O-N 3.17Å; Y361-Q363 VanDerWaalsContact O-N 3.12Å | ||
| 362 | P | 26.9 | Very low | 24.5 | Very low | 103 Ų | 103 | 156.8 Ų | 156.8 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 113.3 | 176.2 | -7.4 | 20.5 | 0 | 0 | 0 | 109.6 | D364 | P362-D364 PolarHBondContact O-N 2.85Å; P362-D364 VanDerWaalsContact O-N 3.07Å | ||
| 363 | Q | 21.4 | Very low | 24.4 | Very low | 191 Ų | 191 | 163.6 Ų | 163.6 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -74.9 | 77.7 | 160.4 | -78.9 | -171.6 | -14.6 | 0 | 0 | 108.7 | Y361 K365 | Y361-Q363 PolarHBondContact O-N 3.17Å; Y361-Q363 VanDerWaalsContact O-N 3.12Å; Q363-K365 PolarHBondContact O-N 3.37Å | ||
| 364 | D | 27.8 | Very low | 24.4 | Very low | 134 Ų | 134 | 162.2 Ų | 162.2 | 72% | 0.717 | 80% | 0.798 | S | S | * | * | trans | -81.4 | 86.6 | 174.4 | -85.1 | -19.9 | 0 | 0 | 0 | 110.8 | P362 L366 | P362-D364 PolarHBondContact O-N 2.85Å; P362-D364 VanDerWaalsContact O-N 3.07Å; D364-L366 PolarHBondContact O-N 3.33Å | ||
| 365 | K | 24.9 | Very low | 24.2 | Very low | 199 Ų | 199 | 157.1 Ų | 157.1 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -66.1 | 97.3 | 145.3 | -77.1 | 179.1 | 177.1 | 174.9 | 0 | 107.9 | Q363 | Q363-K365 PolarHBondContact O-N 3.37Š| ||
| 366 | L | 27.2 | Very low | 24 | Very low | 123 Ų | 123 | 158.5 Ų | 158.5 | 64% | 0.644 | 79% | 0.794 | S | S | * | * | trans | -145 | 96.3 | 158.5 | -103.8 | 128 | 0 | 0 | 0 | 111.7 | D364 T368 | D364-L366 PolarHBondContact O-N 3.33Å; L366-T368 HydrophobicContact CD2-CG2 3.75Å; L366-T368 PolarHBondContact O-N 3.41Å; L366-T368 VanDerWaalsContact O-N 3.13Å | ||
| 367 | T | 22 | Very low | 24.1 | Very low | 147 Ų | 147 | 157.9 Ų | 157.9 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -59.6 | 98.8 | 151.8 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 368 | T | 24.4 | Very low | 24 | Very low | 98 Ų | 98 | 158.3 Ų | 158.3 | 60% | 0.601 | 79% | 0.791 | S | S | * | * | trans | -133.5 | 117.6 | 165 | 36.2 | 0 | 0 | 0 | 0 | 111 | L366 I370 | L366-T368 HydrophobicContact CD2-CG2 3.75Å; L366-T368 PolarHBondContact O-N 3.41Å; L366-T368 VanDerWaalsContact O-N 3.13Å; T368-I370 PolarHBondContact O-N 2.81Å | ||
| 369 | R | 21.7 | Very low | 23.9 | Very low | 244 Ų | 244 | 163 Ų | 163 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -38.5 | 105.7 | 167.9 | -80.7 | 172.2 | 162.5 | 171.4 | -5.7 | 111.3 | K371 | R369-K371 PolarHBondContact O-N 2.9Š| ||
| 370 | I | 26.7 | Very low | 23.9 | Very low | 164 Ų | 164 | 158 Ų | 158 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | trans | -75 | 94.1 | 168.3 | -58.7 | 174.1 | 0 | 0 | 0 | 107.2 | T368 S372 | T368-I370 PolarHBondContact O-N 2.81Å; I370-S372 PolarHBondContact O-N 3.15Å | ||
| 371 | K | 22.6 | Very low | 23.9 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | trans | -64.3 | 114.1 | 158.1 | -78.6 | -177.6 | 175.4 | 179.5 | 0 | 106.7 | R369 R373 | R369-K371 PolarHBondContact O-N 2.9Å; K371-R373 PolarHBondContact O-N 2.89Å | ||
| 372 | S | 25.5 | Very low | 23.9 | Very low | 106 Ų | 106 | 155.7 Ų | 155.7 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -59.3 | 92.5 | 173.3 | 53.5 | 0 | 0 | 0 | 0 | 110.3 | I370 Q374 | I370-S372 PolarHBondContact O-N 3.15Å; S372-Q374 PolarHBondContact O-N 3.42Å | ||
| 373 | R | 23.7 | Very low | 23.7 | Very low | 234 Ų | 234 | 159.3 Ų | 159.3 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 111.5 | 158.6 | -93.5 | -172.8 | 171.6 | 178.6 | -2.4 | 107.7 | K371 N375 | K371-R373 PolarHBondContact O-N 2.89Å; R373-N375 PolarHBondContact O-N 2.89Å | ||
| 374 | Q | 23.8 | Very low | 23.8 | Very low | 174 Ų | 174 | 156 Ų | 156 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -56.8 | 107.6 | 166.4 | -65.3 | 165.8 | -27.1 | 0 | 0 | 108.6 | S372 | S372-Q374 PolarHBondContact O-N 3.42Š| ||
| 375 | N | 24.2 | Very low | 23.8 | Very low | 140 Ų | 140 | 154.6 Ų | 154.6 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -119.4 | 85 | 152.6 | -84.2 | 4.2 | 0 | 0 | 0 | 106.4 | R373 E377 | R373-N375 PolarHBondContact O-N 2.89Å; N375-E377 PolarHBondContact O-N 3.31Å | ||
| 376 | T | 23 | Very low | 24 | Very low | 128 Ų | 128 | 152.7 Ų | 152.7 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | -65.7 | 87 | 157.5 | 41.5 | 0 | 0 | 0 | 0 | 107.5 | V378 | T376-V378 PolarHBondContact O-N 3.16Å; T376-V378 VanDerWaalsContact O-N 3.16Å | ||
| 377 | E | 23.2 | Very low | 24 | Very low | 175 Ų | 175 | 150.9 Ų | 150.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -72.6 | 105.7 | 163.1 | -78.2 | -174.5 | 173.7 | 0 | 0 | 108 | N375 M379 | N375-E377 PolarHBondContact O-N 3.31Å; E377-M379 PolarHBondContact O-N 2.9Å | ||
| 378 | V | 21.8 | Very low | 24.2 | Very low | 119 Ų | 119 | 153.8 Ų | 153.8 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -54.3 | 113.4 | 169.1 | 175 | 0 | 0 | 0 | 0 | 108.1 | T376 I380 | T376-V378 PolarHBondContact O-N 3.16Å; T376-V378 VanDerWaalsContact O-N 3.16Å; V378-I380 PolarHBondContact O-N 2.84Å; V378-I380 VanDerWaalsContact O-N 3.1Å | ||
| 379 | M | 22.2 | Very low | 24.3 | Very low | 186 Ų | 186 | 157.1 Ų | 157.1 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -71.7 | 103.7 | 163.1 | -87.6 | -165.3 | 168.9 | 0 | 0 | 107.9 | E377 S381 | E377-M379 PolarHBondContact O-N 2.9Å; M379-S381 PolarHBondContact O-N 3.3Å | ||
| 380 | I | 22.7 | Very low | 24.6 | Very low | 124 Ų | 124 | 150 Ų | 150 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -58.3 | 115.8 | 171.9 | -64.3 | 167.6 | 0 | 0 | 0 | 107.8 | V378 Y382 | V378-I380 PolarHBondContact O-N 2.84Å; V378-I380 VanDerWaalsContact O-N 3.1Å; I380-Y382 HydrophobicContact CG2-CD2 4.27Å; I380-Y382 HydrophobicContact CG2-CE2 4.15Å; I380-Y382 PolarHBondContact O-N 2.88Å; I380-Y382 VanDerWaalsContact O-N 3.13Å | ||
| 381 | S | 20.7 | Very low | 25 | Very low | 97 Ų | 97 | 150.4 Ų | 150.4 | 68% | 0.678 | 77% | 0.769 | S | S | * | * | trans | -64.9 | 103 | 165.3 | 53.5 | 0 | 0 | 0 | 0 | 108.8 | M379 Q383 | M379-S381 PolarHBondContact O-N 3.3Å; S381-Q383 VanDerWaalsContact C-N 3.27Å; S381-Q383 PolarHBondContact O-N 2.76Å | ||
| 382 | Y | 25.2 | Very low | 25.9 | Very low | 194 Ų | 194 | 149 Ų | 149 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | trans | -74.1 | 92.9 | 156.2 | -83.6 | -81 | 0 | 0 | 0 | 107.9 | I380 N384 | I380-Y382 HydrophobicContact CG2-CD2 4.27Å; I380-Y382 HydrophobicContact CG2-CE2 4.15Å; I380-Y382 PolarHBondContact O-N 2.88Å; I380-Y382 VanDerWaalsContact O-N 3.13Å; Y382-N384 PolarHBondContact O-N 2.78Å | ||
| 383 | Q | 22.5 | Very low | 26.9 | Very low | 179 Ų | 179 | 146.7 Ų | 146.7 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | trans | -63.8 | 77.5 | 149.9 | -69.9 | -178.5 | -14.9 | 0 | 0 | 107.7 | S381 | S381-Q383 VanDerWaalsContact C-N 3.27Å; S381-Q383 PolarHBondContact O-N 2.76Å | ||
| 384 | N | 25 | Very low | 28.1 | Very low | 122 Ų | 122 | 139 Ų | 139 | 65% | 0.652 | 72% | 0.722 | S | S | * | * | trans | -107.7 | 99.8 | 156.6 | -94.2 | -8 | 0 | 0 | 0 | 107.1 | Y382 | Y382-N384 PolarHBondContact O-N 2.78Š| ||
| 385 | S | 27.1 | Very low | 29.5 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -40 | 137.1 | 157.2 | 38.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 386 | N | 28.3 | Very low | 30.9 | Very low | 158 Ų | 158 | 128.4 Ų | 128.4 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | trans | 71.5 | 43.3 | 177.7 | -54.6 | -14.4 | 0 | 0 | 0 | 116 | Y388 | N386-Y388 PolarHBondContact O-N 2.8Š| ||
| 387 | A | 27.9 | Very low | 32.3 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 66% | 0.659 | S | S | * | * | trans | -77.8 | 108 | 157.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | N389 | A387-N389 PolarHBondContact O-N 3.3Š| ||
| 388 | Y | 26.7 | Very low | 33.8 | Very low | 209 Ų | 209 | 129.2 Ų | 129.2 | 82% | 0.82 | 66% | 0.661 | S | S | * | * | trans | -38 | 138.6 | 166.7 | -72.6 | -94 | 0 | 0 | 0 | 111 | N386 T390 | N386-Y388 PolarHBondContact O-N 2.8Å; Y388-T390 PolarHBondContact O-N 3.13Å | ||
| 389 | N | 26.7 | Very low | 35.4 | Very low | 168 Ų | 168 | 126.6 Ų | 126.6 | 90% | 0.898 | 64% | 0.638 | S | S | * | * | trans | -52.4 | 74 | 173 | -87.7 | -25.5 | 0 | 0 | 0 | 111.5 | A387 K391 | A387-N389 PolarHBondContact O-N 3.3Å; N389-K391 PolarHBondContact O-N 3.25Å | ||
| 390 | T | 27.7 | Very low | 37.3 | Very low | 95 Ų | 95 | 119.6 Ų | 119.6 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | trans | -74.1 | 111.8 | 165.1 | 49.2 | 0 | 0 | 0 | 0 | 104.5 | Y388 E392 | Y388-T390 PolarHBondContact O-N 3.13Å; T390-E392 PolarHBondContact O-N 2.96Å | ||
| 391 | K | 34.4 | Very low | 39.6 | Very low | 172 Ų | 172 | 116.1 Ų | 116.1 | 75% | 0.748 | 59% | 0.59 | S | S | * | * | trans | -60.4 | 91.2 | 172.1 | -73.1 | 179.1 | 177 | 178 | 0 | 107.1 | Q323 N389 I393 | Q323-K391 PolarHBondContact NE2-O 3.41Å; Q323-K391 VanDerWaalsContact NE2-O 3.14Å; N389-K391 PolarHBondContact O-N 3.25Å; K391-I393 PolarHBondContact O-N 3.17Å; K391-I393 VanDerWaalsContact O-N 3.17Å | ||
| 392 | E | 41.5 | Very low | 42.5 | Very low | 161 Ų | 161 | 112.4 Ų | 112.4 | 75% | 0.752 | 56% | 0.563 | S | S | * | * | trans | -61.1 | 116.8 | 177.6 | -78.4 | -173.8 | 154.7 | 0 | 0 | 108.7 | T390 V394 | T390-E392 PolarHBondContact O-N 2.96Å; E392-V394 HydrophobicContact CB-CG2 4.24Å; E392-V394 PolarHBondContact O-N 2.93Å | ||
| 393 | I | 46.4 | Very low | 45.4 | Very low | 56 Ų | 56 | 103.3 Ų | 103.3 | 29% | 0.287 | 53% | 0.527 | S | S | . | . | trans | -71.9 | 97 | 166.2 | -62.3 | 171.1 | 0 | 0 | 0 | 105.9 | W315 L316 K319 K391 L395 | W315-I393 HydrophobicContact CH2-CD1 4.41Å; W315-I393 HydrophobicContact CH2-CG1 4.46Å; W315-I393 HydrophobicContact CH2-CG2 4.01Å; W315-I393 HydrophobicContact CZ3-CD1 4.24Å; W315-I393 HydrophobicContact CZ3-CG2 3.78Å; L316-I393 HydrophobicContact CD2-CD1 4.28Å; L316-I393 HydrophobicContact CD2-CG2 4.08Å; K319-I393 HydrophobicContact CB-CD1 3.92Å; K391-I393 PolarHBondContact O-N 3.17Å; K391-I393 VanDerWaalsContact O-N 3.17Å; I393-L395 VanDerWaalsContact C-N 3.35Å; I393-L395 HydrophobicContact CG2-CD1 4.23Å; I393-L395 HydrophobicContact CG2-CG 4.13Å; I393-L395 PolarHBondContact O-N 3.02Å; I393-L395 VanDerWaalsContact O-N 3.08Å | ||
| 394 | V | 49.7 | Very low | 48.6 | Very low | 72 Ų | 72 | 96.9 Ų | 96.9 | 44% | 0.436 | 50% | 0.498 | S | S | . | . | trans | -82.7 | 82.7 | 177.4 | -174 | 0 | 0 | 0 | 0 | 108.7 | E392 | E392-V394 HydrophobicContact CB-CG2 4.24Å; E392-V394 PolarHBondContact O-N 2.93Å | ||
| 395 | L | 52.2 | Low | 51.7 | Low | 37 Ų | 37 | 92.9 Ų | 92.9 | 19% | 0.194 | 48% | 0.475 | C | S | . | . | trans | -85.3 | 106.4 | 161 | -77.5 | 165.6 | 0 | 0 | 0 | 107.9 | L312 L316 I393 K397 V423 V544 | L312-L395 HydrophobicContact CD1-CD1 4.24Å; L312-L395 HydrophobicContact CD1-CD2 4.14Å; L316-L395 HydrophobicContact CD1-CD1 3.93Å; L316-L395 HydrophobicContact CD2-CD1 3.85Å; L316-L395 HydrophobicContact CG-CD1 4.21Å; I393-L395 VanDerWaalsContact C-N 3.35Å; I393-L395 HydrophobicContact CG2-CD1 4.23Å; I393-L395 HydrophobicContact CG2-CG 4.13Å; I393-L395 PolarHBondContact O-N 3.02Å; I393-L395 VanDerWaalsContact O-N 3.08Å; L395-K397 VanDerWaalsContact C-N 3.32Å; L395-K397 PolarHBondContact O-N 2.79Å; L395-V423 HydrophobicContact CD2-CG2 4.01Å; L395-V544 HydrophobicContact CD2-CG1 4.18Å | ||
| 396 | N | 54 | Low | 54.9 | Low | 56 Ų | 56 | 88.2 Ų | 88.2 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | trans | -80.1 | 80.2 | -179.3 | -162.1 | -9.3 | 0 | 0 | 0 | 111 | K398 R399 | N396-K398 PolarHBondContact O-N 2.9Å; N396-R399 HydrophobicContact CB-CG 4.29Å; N396-R399 PolarHBondContact ND2-NE 3.07Å; N396-R399 VanDerWaalsContact ND2-NE 3.17Å; N396-R399 PolarHBondContact O-N 2.88Å; N396-R399 VanDerWaalsContact O-N 3.09Å | ||
| 397 | K | 52.7 | Low | 58 | Low | 122 Ų | 122 | 82.2 Ų | 82.2 | 53% | 0.53 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -9.6 | -178.1 | -64 | -177.2 | -177.6 | 171.8 | 0 | 115.2 | L395 R399 | L395-K397 VanDerWaalsContact C-N 3.32Å; L395-K397 PolarHBondContact O-N 2.79Å; K397-R399 VanDerWaalsContact C-N 3.27Å |
| 398 | K | 53.9 | Low | 61.1 | Low | 198 Ų | 198 | 79.5 Ų | 79.5 | 86% | 0.861 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.2 | 175.5 | -68.2 | -174.7 | 177.9 | -180 | 0 | 112.8 | N396 | N396-K398 PolarHBondContact O-N 2.9Š|
| 399 | R | 56.5 | Low | 64.2 | Low | 63 Ų | 63 | 69.7 Ų | 69.7 | 24% | 0.238 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -90.9 | 147.6 | -176.8 | -62.4 | -173.2 | 178.4 | -165.3 | -4.7 | 111.4 | N396 K397 E420 D548 S549 | N396-R399 HydrophobicContact CB-CG 4.29Å; N396-R399 PolarHBondContact ND2-NE 3.07Å; N396-R399 VanDerWaalsContact ND2-NE 3.17Å; N396-R399 PolarHBondContact O-N 2.88Å; N396-R399 VanDerWaalsContact O-N 3.09Å; K397-R399 VanDerWaalsContact C-N 3.27Å; R399-E420 WeakPolarHBondContact CD-O 3.32Å; R399-E420 PolarHBondContact NH1-O 3.25Å; R399-E420 VanDerWaalsContact NH1-O 3.17Å; R399-D548 IonicContact CZ-OD1 3.71Å; R399-D548 IonicContact NH1-OD1 2.74Å; R399-D548 PolarHBondContact NH1-OD1 3.41Å; R399-D548 IonicContact NH2-OD1 3.82Å; R399-D548 PolarHBondContact NH2-OD1 3.24Å; R399-D548 IonicContact NH2-OD2 2.66Å; R399-D548 PolarHBondContact NH2-OD2 2.93Å; R399-S549 PolarHBondContact NH1-OG 3.45Å |
| 400 | A | 62.2 | Low | 67.1 | Low | 39 Ų | 39 | 64.1 Ų | 64.1 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | trans | -65.6 | 152.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | N402 | A400-N402 WeakPolarHBondContact CB-ND2 3.41Å; A400-N402 PolarHBondContact O-N 2.89Å | ||
| 401 | K | 70.8 | Confident | 69.9 | Low | 52 Ų | 52 | 65.2 Ų | 65.2 | 23% | 0.226 | 31% | 0.312 | C | S | . | . | trans | -88.5 | 38.5 | 175.4 | -69.1 | -177 | 174.3 | -178.6 | 0 | 111.1 | N282 D309 C419 | N282-K401 HydrophobicContact CB-CB 4.35Å; N282-K401 VanDerWaalsContact OD1-CA 3.3Å; N282-K401 WeakPolarHBondContact OD1-CA 3.47Å; N282-K401 PolarHBondContact OD1-N 3.05Å; N282-K401 PolarHBondContact OD1-O 3.08Å; D309-K401 IonicContact OD1-NZ 2.66Å; D309-K401 PolarHBondContact OD1-NZ 3.02Å; D309-K401 IonicContact OD2-NZ 3.39Å; K401-C419 WeakPolarHBondContact CA-SG 3.37Å | ||
| 402 | N | 81.3 | Confident | 72.3 | Confident | 19 Ų | 19 | 58.8 Ų | 58.8 | 10% | 0.102 | 29% | 0.285 | C | S | . | . | trans | -78.1 | 131.9 | -177.6 | -71 | -35.2 | 0 | 0 | 0 | 110.4 | S280 N282 A400 L404 C419 E420 | S280-N402 WeakPolarHBondContact CA-OD1 3.35Å; S280-N402 PolarHBondContact O-OD1 2.86Å; N282-N402 PolarHBondContact N-OD1 2.77Å; N282-N402 PolarHBondContact OD1-N 3.1Å; N282-N402 PolarHBondContact OD1-OD1 2.85Å; A400-N402 WeakPolarHBondContact CB-ND2 3.41Å; A400-N402 PolarHBondContact O-N 2.89Å; N402-L404 PolarHBondContact O-N 3.32Å; N402-C419 WeakPolarHBondContact O-CA 3.26Å; N402-E420 PolarHBondContact O-N 3.5Å | ||
| 403 | F | 86.4 | Confident | 74.5 | Confident | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 120.3 | 172.5 | -53.4 | -50.7 | 0 | 0 | 0 | 110.8 | Q263 C264 S278 L284 I304 I308 M406 A417 A418 C419 Y425 | Q263-F403 VanDerWaalsContact CB-O 3.32Å; Q263-F403 WeakPolarHBondContact CB-O 3.21Å; C264-F403 PolarHBondContact SG-O 3.09Å; S278-F403 WeakPolarHBondContact OG-CB 3.45Å; S278-F403 WeakPolarHBondContact OG-CD2 3.21Å; L284-F403 HydrophobicContact CB-CE2 4.33Å; I304-F403 HydrophobicContact CD1-CE2 3.53Å; I304-F403 HydrophobicContact CD1-CZ 3.6Å; I308-F403 HydrophobicContact CD1-CZ 4.28Å; F403-M406 HydrophobicContact CB-CG 4.29Å; F403-M406 HydrophobicContact CD2-SD 4.37Å; F403-A417 HydrophobicContact CB-CB 4.36Å; F403-A417 HydrophobicContact CD1-CB 3.63Å; F403-A417 HydrophobicContact CD2-CB 4.22Å; F403-A417 HydrophobicContact CE1-CB 3.93Å; F403-A417 HydrophobicContact CE2-CB 4.47Å; F403-A417 HydrophobicContact CG-CB 3.81Å; F403-A417 HydrophobicContact CZ-CB 4.33Å; F403-A418 CarbonylContact C-O 3.54Å; F403-A418 VanDerWaalsContact CA-O 3.27Å; F403-A418 WeakPolarHBondContact CA-O 3.34Å; F403-C419 HydrophobicContact CD1-CB 4.1Å; F403-C419 HydrophobicContact CE1-CB 4.39Å; F403-Y425 HydrophobicContact CD1-CD2 4.47Å; F403-Y425 AromaticContact CE1-CD2 3.6Å; F403-Y425 HydrophobicContact CE1-CD2 3.6Å; F403-Y425 HydrophobicContact CE1-CE2 4.11Å; F403-Y425 HydrophobicContact CE1-CG 4.5Å; F403-Y425 HydrophobicContact CZ-CD2 4.42Å |
| 404 | L | 88.3 | Confident | 76.7 | Confident | 44 Ų | 44 | 49.6 Ų | 49.6 | 23% | 0.23 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -27.6 | -179.6 | -61.1 | 179.8 | 0 | 0 | 0 | 112.4 | N402 A418 E420 T551 | N402-L404 PolarHBondContact O-N 3.32Å; L404-A418 PolarHBondContact N-O 3.14Å; L404-E420 HydrophobicContact CD1-CB 4.07Å; L404-E420 HydrophobicContact CD1-CG 4.37Å; L404-E420 HydrophobicContact CD2-CB 4.47Å; L404-E420 HydrophobicContact CG-CB 4.22Å; L404-T551 HydrophobicContact CD1-CG2 4.2Å |
| 405 | K | 91.1 | Very high | 78.7 | Confident | 39 Ų | 39 | 46.2 Ų | 46.2 | 17% | 0.17 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 139.7 | 177.9 | -166 | 79.8 | 168.9 | -142.1 | 0 | 109.6 | A418 T551 L553 D612 | K405-A418 HydrophobicContact CB-CB 4.18Å; K405-A418 PolarHBondContact O-N 3.21Å; K405-T551 WeakPolarHBondContact CB-O 3.29Å; K405-L553 HydrophobicContact CB-CD1 4.28Å; K405-L553 HydrophobicContact CB-CG 4.42Å; K405-L553 HydrophobicContact CG-CB 4.39Å; K405-L553 HydrophobicContact CG-CD1 4.31Å; K405-L553 HydrophobicContact CG-CG 4.35Å; K405-L553 WeakPolarHBondContact O-CD1 3.41Å; K405-D612 IonicContact NZ-OD1 3.86Å; K405-D612 PolarHBondContact NZ-OD1 2.88Å |
| 406 | M | 93.8 | Very high | 80.7 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.025 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 144.3 | 172.4 | -72 | -173.5 | -66.2 | 0 | 0 | 110.4 | C264 C266 L284 F403 V415 V416 A417 | C264-M406 WeakPolarHBondContact O-CE 3.16Å; C264-M406 VanDerWaalsContact SG-CE 3.52Å; C266-M406 HydrophobicContact CB-CB 4.03Å; L284-M406 HydrophobicContact CD1-CE 3.94Å; L284-M406 HydrophobicContact CD1-SD 3.52Å; L284-M406 VanDerWaalsContact CD1-SD 3.52Å; F403-M406 HydrophobicContact CB-CG 4.29Å; F403-M406 HydrophobicContact CD2-SD 4.37Å; M406-V415 HydrophobicContact SD-CG1 4.38Å; M406-V416 CarbonylContact C-O 3.57Å; M406-V416 VanDerWaalsContact CA-O 3.27Å; M406-V416 WeakPolarHBondContact CA-O 3.4Å; M406-A417 HydrophobicContact CG-CB 3.77Å; M406-A417 HydrophobicContact SD-CB 4.31Å |
| 407 | I | 93.8 | Very high | 82.5 | Confident | 33 Ų | 33 | 41.8 Ų | 41.8 | 17% | 0.169 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143 | 169.9 | 62 | 171.5 | 0 | 0 | 0 | 109.4 | I409 V416 L553 N555 L568 | I407-I409 HydrophobicContact CD1-CD1 4.43Å; I407-I409 HydrophobicContact CD1-CG1 4.45Å; I407-V416 HydrophobicContact CD1-CB 4.33Å; I407-V416 HydrophobicContact CG1-CB 3.76Å; I407-V416 HydrophobicContact CG1-CG2 4.33Å; I407-V416 PolarHBondContact N-O 3.4Å; I407-V416 PolarHBondContact O-N 3.2Å; I407-L553 HydrophobicContact CD1-CB 3.95Å; I407-L553 HydrophobicContact CG1-CB 4.15Å; I407-L553 HydrophobicContact CG1-CD1 4.17Å; I407-L553 HydrophobicContact CG2-CB 4.08Å; I407-N555 HydrophobicContact CD1-CB 4.11Å; I407-L568 HydrophobicContact CD1-CD1 3.86Å |
| 408 | Y | 93.8 | Very high | 84.4 | Confident | 27 Ų | 27 | 36 Ų | 36 | 11% | 0.106 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 137.1 | 169.5 | -169 | -98.7 | 0 | 0 | 0 | 108.8 | A267 S268 F276 D410 D413 F414 V415 | A267-Y408 WeakPolarHBondContact O-CB 3.3Å; S268-Y408 VanDerWaalsContact CB-CZ 3.47Å; S268-Y408 VanDerWaalsContact OG-CE1 3.26Å; S268-Y408 WeakPolarHBondContact OG-CE1 3.23Å; S268-Y408 PolarHBondContact OG-OH 2.87Å; F276-Y408 HydrophobicContact CE2-CD2 4.22Å; F276-Y408 HydrophobicContact CE2-CE2 4.26Å; Y408-D410 WeakPolarHBondContact CD1-OD1 3.11Å; Y408-D410 HydrophobicContact CE1-CB 4.37Å; Y408-D410 WeakPolarHBondContact CE1-OD1 3.27Å; Y408-D413 PolarHBondContact OH-OD1 2.74Å; Y408-F414 CarbonylContact C-O 3.58Å; Y408-F414 WeakPolarHBondContact CA-O 2.87Å; Y408-V415 HydrophobicContact CD2-CG2 3.57Å; Y408-V415 HydrophobicContact CE2-CG2 4.02Å |
| 409 | I | 91.7 | Very high | 85.9 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.015 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 101 | 177 | -56.5 | 179.8 | 0 | 0 | 0 | 107.5 | I407 E411 L412 D413 F414 V416 N555 W566 L582 | I407-I409 HydrophobicContact CD1-CD1 4.43Å; I407-I409 HydrophobicContact CD1-CG1 4.45Å; I409-E411 VanDerWaalsContact C-N 3.3Å; I409-E411 PolarHBondContact O-N 2.85Å; I409-L412 HydrophobicContact CG2-CB 4.18Å; I409-L412 HydrophobicContact CG2-CD1 4.31Å; I409-L412 HydrophobicContact CG2-CG 4.18Å; I409-L412 PolarHBondContact O-N 3.43Å; I409-D413 WeakPolarHBondContact O-CA 3.16Å; I409-D413 PolarHBondContact O-N 3.5Å; I409-F414 PolarHBondContact N-O 3.27Å; I409-F414 PolarHBondContact O-N 2.65Å; I409-V416 HydrophobicContact CD1-CG2 3.93Å; I409-N555 HydrophobicContact CD1-CB 4.26Å; I409-W566 HydrophobicContact CG2-CE3 4.08Å; I409-W566 HydrophobicContact CG2-CZ3 4.11Å; I409-L582 HydrophobicContact CD1-CD1 3.38Å; I409-L582 HydrophobicContact CD1-CD2 4.39Å |
| 410 | D | 86.8 | Confident | 87.1 | Confident | 51 Ų | 51 | 26 Ų | 26 | 27% | 0.273 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -36.3 | -173.5 | -69.4 | -52.7 | 0 | 0 | 0 | 112.6 | K270 Y408 L412 | K270-D410 WeakPolarHBondContact CE-O 3.47Å; K270-D410 PolarHBondContact NZ-O 2.96Å; Y408-D410 WeakPolarHBondContact CD1-OD1 3.11Å; Y408-D410 HydrophobicContact CE1-CB 4.37Å; Y408-D410 WeakPolarHBondContact CE1-OD1 3.27Å; D410-L412 VanDerWaalsContact C-N 3.31Å; D410-L412 PolarHBondContact O-N 3.44Å |
| 411 | E | 86.4 | Confident | 87.9 | Confident | 118 Ų | 118 | 25.1 Ų | 25.1 | 55% | 0.551 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -23.7 | -175.4 | -56.6 | 91.5 | 156.8 | 0 | 0 | 113.5 | I409 W566 | I409-E411 VanDerWaalsContact C-N 3.3Å; I409-E411 PolarHBondContact O-N 2.85Å; E411-W566 HydrophobicContact CB-CH2 3.49Å; E411-W566 VanDerWaalsContact CB-CH2 3.49Å; E411-W566 HydrophobicContact CB-CZ2 3.53Å; E411-W566 HydrophobicContact CB-CZ3 4.23Å; E411-W566 HydrophobicContact CG-CH2 3.39Å; E411-W566 HydrophobicContact CG-CZ2 3.81Å; E411-W566 HydrophobicContact CG-CZ3 4.27Å; E411-W566 WeakPolarHBondContact OE1-CH2 3.46Å; E411-W566 WeakPolarHBondContact OE2-CH2 3.24Å; E411-W566 VanDerWaalsContact OE2-CZ3 3.23Å; E411-W566 WeakPolarHBondContact OE2-CZ3 3.21Å |
| 412 | L | 85.4 | Confident | 88.5 | Confident | 37 Ų | 37 | 22.7 Ų | 22.7 | 19% | 0.194 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.2 | -9.1 | 179.8 | -61.4 | -180 | 0 | 0 | 0 | 113.1 | I409 D410 F414 W566 L582 K583 | I409-L412 HydrophobicContact CG2-CB 4.18Å; I409-L412 HydrophobicContact CG2-CD1 4.31Å; I409-L412 HydrophobicContact CG2-CG 4.18Å; I409-L412 PolarHBondContact O-N 3.43Å; D410-L412 VanDerWaalsContact C-N 3.31Å; D410-L412 PolarHBondContact O-N 3.44Å; L412-F414 HydrophobicContact CB-CB 4.31Å; L412-F414 HydrophobicContact CB-CD1 4.11Å; L412-F414 HydrophobicContact CB-CD2 3.84Å; L412-F414 HydrophobicContact CB-CE1 4.34Å; L412-F414 HydrophobicContact CB-CE2 4.13Å; L412-F414 HydrophobicContact CB-CG 3.82Å; L412-F414 HydrophobicContact CB-CZ 4.36Å; L412-F414 HydrophobicContact CD1-CD2 3.95Å; L412-F414 HydrophobicContact CD1-CE2 4.04Å; L412-F414 WeakPolarHBondContact O-CD1 3.28Å; L412-F414 VanDerWaalsContact O-CE1 3.27Å; L412-F414 WeakPolarHBondContact O-CE1 3.28Å; L412-F414 PolarHBondContact O-N 3.2Å; L412-W566 HydrophobicContact CD1-CB 4.03Å; L412-W566 HydrophobicContact CD1-CD2 4.14Å; L412-W566 HydrophobicContact CD1-CG 3.89Å; L412-W566 HydrophobicContact CG-CD2 4.32Å; L412-W566 HydrophobicContact CG-CG 4.42Å; L412-L582 HydrophobicContact CD1-CB 4.17Å; L412-K583 HydrophobicContact CD2-CG 4.43Å |
| 413 | D | 87.7 | Confident | 88.7 | Confident | 17 Ų | 17 | 21.8 Ų | 21.8 | 9% | 0.091 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 42 | -167.6 | -66.6 | -21.8 | 0 | 0 | 0 | 112.7 | K270 Y408 I409 Y429 R532 | K270-D413 WeakPolarHBondContact CD-OD1 3.24Å; K270-D413 WeakPolarHBondContact CE-OD1 3.35Å; K270-D413 IonicContact NZ-OD1 3.23Å; K270-D413 PolarHBondContact NZ-OD1 3.43Å; K270-D413 IonicContact NZ-OD2 3.58Å; Y408-D413 PolarHBondContact OH-OD1 2.74Å; I409-D413 WeakPolarHBondContact O-CA 3.16Å; I409-D413 PolarHBondContact O-N 3.5Å; D413-Y429 HydrophobicContact CB-CD2 4.1Å; D413-R532 IonicContact OD1-NH2 3.87Å; D413-R532 IonicContact OD2-CZ 2.72Å; D413-R532 IonicContact OD2-NE 3.83Å; D413-R532 IonicContact OD2-NH2 2.91Å; D413-R532 PolarHBondContact OD2-NH2 2.99Å |
| 414 | F | 91.8 | Very high | 88.9 | Confident | 8 Ų | 8 | 21.7 Ų | 21.7 | 4% | 0.035 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 137.5 | -179.8 | -70.3 | -3.3 | 0 | 0 | 0 | 111.8 | Y408 I409 L412 V426 L427 Y541 | Y408-F414 CarbonylContact C-O 3.58Å; Y408-F414 WeakPolarHBondContact CA-O 2.87Å; I409-F414 PolarHBondContact N-O 3.27Å; I409-F414 PolarHBondContact O-N 2.65Å; L412-F414 HydrophobicContact CB-CB 4.31Å; L412-F414 HydrophobicContact CB-CD1 4.11Å; L412-F414 HydrophobicContact CB-CD2 3.84Å; L412-F414 HydrophobicContact CB-CE1 4.34Å; L412-F414 HydrophobicContact CB-CE2 4.13Å; L412-F414 HydrophobicContact CB-CG 3.82Å; L412-F414 HydrophobicContact CB-CZ 4.36Å; L412-F414 HydrophobicContact CD1-CD2 3.95Å; L412-F414 HydrophobicContact CD1-CE2 4.04Å; L412-F414 WeakPolarHBondContact O-CD1 3.28Å; L412-F414 VanDerWaalsContact O-CE1 3.27Å; L412-F414 WeakPolarHBondContact O-CE1 3.28Å; L412-F414 PolarHBondContact O-N 3.2Å; F414-V426 HydrophobicContact CB-CG1 4.14Å; F414-V426 HydrophobicContact CD2-CG1 3.51Å; F414-V426 HydrophobicContact CE2-CG1 4.07Å; F414-V426 HydrophobicContact CG-CG1 3.9Å; F414-L427 CarbonylContact C-O 3.55Å; F414-L427 WeakPolarHBondContact CA-O 3.31Å; F414-Y541 HydrophobicContact CE2-CE2 4.41Å |
| 415 | V | 92.7 | Very high | 89 | Confident | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.1 | 161.6 | 172.6 | 0 | 0 | 0 | 0 | 107 | F276 M406 Y408 L427 M537 | F276-V415 HydrophobicContact CD1-CG2 4.43Å; F276-V415 HydrophobicContact CD2-CG2 4.02Å; F276-V415 HydrophobicContact CE1-CG2 4.37Å; F276-V415 HydrophobicContact CE2-CG2 3.96Å; F276-V415 HydrophobicContact CG-CG2 4.26Å; F276-V415 HydrophobicContact CZ-CG2 4.13Å; M406-V415 HydrophobicContact SD-CG1 4.38Å; Y408-V415 HydrophobicContact CD2-CG2 3.57Å; Y408-V415 HydrophobicContact CE2-CG2 4.02Å; V415-L427 HydrophobicContact CB-CB 4.22Å; V415-L427 HydrophobicContact CB-CD1 4.47Å; V415-L427 HydrophobicContact CG1-CD1 4.34Å; V415-L427 PolarHBondContact N-O 3.34Å; V415-L427 PolarHBondContact O-N 3Å; V415-M537 HydrophobicContact CB-CE 3.82Å; V415-M537 HydrophobicContact CB-SD 4.1Å; V415-M537 HydrophobicContact CG2-CE 3.59Å; V415-M537 HydrophobicContact CG2-SD 3.59Å; V415-M537 VanDerWaalsContact CG2-SD 3.59Å |
| 416 | V | 93.7 | Very high | 89 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 122.2 | 173.7 | -176.1 | 0 | 0 | 0 | 0 | 107.9 | M406 I407 I409 V424 Y425 V426 L553 L568 L582 | M406-V416 CarbonylContact C-O 3.57Å; M406-V416 VanDerWaalsContact CA-O 3.27Å; M406-V416 WeakPolarHBondContact CA-O 3.4Å; I407-V416 HydrophobicContact CD1-CB 4.33Å; I407-V416 HydrophobicContact CG1-CB 3.76Å; I407-V416 HydrophobicContact CG1-CG2 4.33Å; I407-V416 PolarHBondContact N-O 3.4Å; I407-V416 PolarHBondContact O-N 3.2Å; I409-V416 HydrophobicContact CD1-CG2 3.93Å; V416-V424 HydrophobicContact CG1-CG1 3.49Å; V416-V424 VanDerWaalsContact CG1-CG1 3.49Å; V416-Y425 CarbonylContact C-O 3.47Å; V416-Y425 WeakPolarHBondContact CA-O 3.41Å; V416-V426 HydrophobicContact CG1-CG2 4.4Å; V416-V426 HydrophobicContact CG2-CG1 4.37Å; V416-V426 HydrophobicContact CG2-CG2 4.3Å; V416-L553 HydrophobicContact CB-CD1 4.38Å; V416-L553 HydrophobicContact CG1-CD1 3.97Å; V416-L553 HydrophobicContact CG1-CD2 3.92Å; V416-L553 VanDerWaalsContact O-CD1 3.28Å; V416-L553 WeakPolarHBondContact O-CD1 3.29Å; V416-L568 HydrophobicContact CG1-CD1 4.24Å; V416-L568 HydrophobicContact CG1-CD2 3.67Å; V416-L582 HydrophobicContact CG2-CD2 4.07Å |
| 417 | A | 92.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | F403 M406 V424 Y425 | F403-A417 HydrophobicContact CB-CB 4.36Å; F403-A417 HydrophobicContact CD1-CB 3.63Å; F403-A417 HydrophobicContact CD2-CB 4.22Å; F403-A417 HydrophobicContact CE1-CB 3.93Å; F403-A417 HydrophobicContact CE2-CB 4.47Å; F403-A417 HydrophobicContact CG-CB 3.81Å; F403-A417 HydrophobicContact CZ-CB 4.33Å; M406-A417 HydrophobicContact CG-CB 3.77Å; M406-A417 HydrophobicContact SD-CB 4.31Å; A417-V424 WeakPolarHBondContact O-CA 3.16Å; A417-Y425 PolarHBondContact N-O 3.49Å; A417-Y425 PolarHBondContact O-N 3.22Å |
| 418 | A | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 129.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110 | F403 L404 K405 V424 V550 L553 | F403-A418 CarbonylContact C-O 3.54Å; F403-A418 VanDerWaalsContact CA-O 3.27Å; F403-A418 WeakPolarHBondContact CA-O 3.34Å; L404-A418 PolarHBondContact N-O 3.14Å; K405-A418 HydrophobicContact CB-CB 4.18Å; K405-A418 PolarHBondContact O-N 3.21Å; A418-V424 HydrophobicContact CB-CG2 4.38Å; A418-V550 HydrophobicContact CB-CB 3.84Å; A418-V550 HydrophobicContact CB-CG1 3.66Å; A418-V550 WeakPolarHBondContact CB-O 3.31Å; A418-L553 HydrophobicContact CB-CD1 3.82Å; A418-L553 HydrophobicContact CB-CD2 3.9Å; A418-L553 HydrophobicContact CB-CG 3.78Å |
| 419 | C | 85.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 154.5 | -171.2 | -170.5 | 0 | 0 | 0 | 0 | 112.7 | K401 N402 F403 D421 G422 V423 Y425 V550 | K401-C419 WeakPolarHBondContact CA-SG 3.37Å; N402-C419 WeakPolarHBondContact O-CA 3.26Å; F403-C419 HydrophobicContact CD1-CB 4.1Å; F403-C419 HydrophobicContact CE1-CB 4.39Å; C419-D421 WeakPolarHBondContact CB-OD1 3.35Å; C419-D421 PolarHBondContact O-N 3.3Å; C419-D421 PolarHBondContact SG-OD1 3.26Å; C419-G422 PolarHBondContact O-N 3.33Å; C419-V423 WeakPolarHBondContact CB-O 3.43Å; C419-V423 PolarHBondContact N-O 3.35Å; C419-Y425 HydrophobicContact CB-CD2 4.2Å; C419-Y425 HydrophobicContact CB-CE2 3.82Å; C419-V550 PolarHBondContact O-N 3.2Å; C419-V550 VanDerWaalsContact O-N 3.14Å |
| 420 | E | 82.9 | Confident | 87.4 | Confident | 53 Ų | 53 | 17.5 Ų | 17.5 | 25% | 0.248 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -24.1 | 176 | -169 | -176.5 | 170.4 | 0 | 0 | 113.1 | R399 N402 L404 G422 S549 | R399-E420 WeakPolarHBondContact CD-O 3.32Å; R399-E420 PolarHBondContact NH1-O 3.25Å; R399-E420 VanDerWaalsContact NH1-O 3.17Å; N402-E420 PolarHBondContact O-N 3.5Å; L404-E420 HydrophobicContact CD1-CB 4.07Å; L404-E420 HydrophobicContact CD1-CG 4.37Å; L404-E420 HydrophobicContact CD2-CB 4.47Å; L404-E420 HydrophobicContact CG-CB 4.22Å; E420-G422 PolarHBondContact O-N 2.8Å; E420-S549 WeakPolarHBondContact CG-OG 3.49Å; E420-S549 PolarHBondContact O-OG 2.95Å |
| 421 | D | 79 | Confident | 86.8 | Confident | 19 Ų | 19 | 17.8 Ų | 17.8 | 10% | 0.102 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.5 | 175.2 | 66.7 | 2.5 | 0 | 0 | 0 | 114 | C419 V423 Y425 | C419-D421 WeakPolarHBondContact CB-OD1 3.35Å; C419-D421 PolarHBondContact O-N 3.3Å; C419-D421 PolarHBondContact SG-OD1 3.26Å; D421-V423 WeakPolarHBondContact OD1-CA 3.11Å; D421-V423 VanDerWaalsContact OD1-CB 3.25Å; D421-V423 WeakPolarHBondContact OD1-CB 3.26Å; D421-V423 PolarHBondContact OD1-N 2.78Å; D421-Y425 PolarHBondContact OD2-OH 2.93Å |
| 422 | G | 82 | Confident | 86.1 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | S | Bend | trans | 92.8 | 9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.5 | C419 E420 H546 D548 | C419-G422 PolarHBondContact O-N 3.33Å; E420-G422 PolarHBondContact O-N 2.8Å; G422-H546 WeakPolarHBondContact O-CB 3.4Å; G422-D548 WeakPolarHBondContact CA-O 3.04Å |
| 423 | V | 86.1 | Confident | 85.4 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 145.1 | 179.3 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | L395 C419 D421 Y425 V542 V544 | L395-V423 HydrophobicContact CD2-CG2 4.01Å; C419-V423 WeakPolarHBondContact CB-O 3.43Å; C419-V423 PolarHBondContact N-O 3.35Å; D421-V423 WeakPolarHBondContact OD1-CA 3.11Å; D421-V423 VanDerWaalsContact OD1-CB 3.25Å; D421-V423 WeakPolarHBondContact OD1-CB 3.26Å; D421-V423 PolarHBondContact OD1-N 2.78Å; V423-Y425 HydrophobicContact CB-CE1 4.4Å; V423-Y425 HydrophobicContact CB-CE2 3.94Å; V423-Y425 HydrophobicContact CG1-CD1 4.11Å; V423-Y425 HydrophobicContact CG1-CD2 4.33Å; V423-Y425 HydrophobicContact CG1-CE1 3.57Å; V423-Y425 HydrophobicContact CG1-CE2 3.87Å; V423-Y425 HydrophobicContact CG1-CG 4.47Å; V423-Y425 VanDerWaalsContact CG1-CZ 3.47Å; V423-V542 HydrophobicContact CG1-CG1 3.37Å; V423-V544 HydrophobicContact CG1-CG2 3.99Å; V423-V544 HydrophobicContact CG2-CG1 4.44Å; V423-V544 HydrophobicContact CG2-CG2 4.13Å |
| 424 | V | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.6 | 168.7 | -178.9 | 0 | 0 | 0 | 0 | 109.3 | V416 A417 A418 L543 V550 L553 L568 T570 | V416-V424 HydrophobicContact CG1-CG1 3.49Å; V416-V424 VanDerWaalsContact CG1-CG1 3.49Å; A417-V424 WeakPolarHBondContact O-CA 3.16Å; A418-V424 HydrophobicContact CB-CG2 4.38Å; V424-L543 HydrophobicContact CB-CB 4.11Å; V424-L543 HydrophobicContact CB-CD1 4.36Å; V424-L543 HydrophobicContact CG1-CD1 4.26Å; V424-L543 PolarHBondContact N-O 3.37Å; V424-L543 VanDerWaalsContact N-O 3.1Å; V424-L543 WeakPolarHBondContact O-CB 3.35Å; V424-L543 PolarHBondContact O-N 3.47Å; V424-V550 HydrophobicContact CG2-CB 4.14Å; V424-V550 HydrophobicContact CG2-CG1 3.77Å; V424-V550 HydrophobicContact CG2-CG2 4.03Å; V424-L553 HydrophobicContact CG1-CD2 3.87Å; V424-L553 HydrophobicContact CG2-CD2 4.3Å; V424-L568 HydrophobicContact CG1-CD2 4.23Å; V424-T570 HydrophobicContact CG2-CG2 4.09Å |
| 425 | Y | 90.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 23.8 Ų | 23.8 | 0% | 0.004 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 130.7 | 180 | -60.1 | -76.6 | 0 | 0 | 0 | 109.8 | I308 F403 V416 A417 C419 D421 V423 V542 | I308-Y425 HydrophobicContact CB-CD1 4.35Å; I308-Y425 HydrophobicContact CB-CE1 4.16Å; I308-Y425 HydrophobicContact CD1-CD1 4.07Å; I308-Y425 HydrophobicContact CD1-CD2 4.44Å; I308-Y425 HydrophobicContact CD1-CE1 4.35Å; I308-Y425 HydrophobicContact CD1-CG 4.11Å; I308-Y425 HydrophobicContact CG1-CD1 3.74Å; I308-Y425 HydrophobicContact CG1-CE1 4.03Å; I308-Y425 HydrophobicContact CG1-CG 4.24Å; I308-Y425 HydrophobicContact CG2-CD1 3.91Å; I308-Y425 HydrophobicContact CG2-CE1 3.26Å; F403-Y425 HydrophobicContact CD1-CD2 4.47Å; F403-Y425 AromaticContact CE1-CD2 3.6Å; F403-Y425 HydrophobicContact CE1-CD2 3.6Å; F403-Y425 HydrophobicContact CE1-CE2 4.11Å; F403-Y425 HydrophobicContact CE1-CG 4.5Å; F403-Y425 HydrophobicContact CZ-CD2 4.42Å; V416-Y425 CarbonylContact C-O 3.47Å; V416-Y425 WeakPolarHBondContact CA-O 3.41Å; A417-Y425 PolarHBondContact N-O 3.49Å; A417-Y425 PolarHBondContact O-N 3.22Å; C419-Y425 HydrophobicContact CB-CD2 4.2Å; C419-Y425 HydrophobicContact CB-CE2 3.82Å; D421-Y425 PolarHBondContact OD2-OH 2.93Å; V423-Y425 HydrophobicContact CB-CE1 4.4Å; V423-Y425 HydrophobicContact CB-CE2 3.94Å; V423-Y425 HydrophobicContact CG1-CD1 4.11Å; V423-Y425 HydrophobicContact CG1-CD2 4.33Å; V423-Y425 HydrophobicContact CG1-CE1 3.57Å; V423-Y425 HydrophobicContact CG1-CE2 3.87Å; V423-Y425 HydrophobicContact CG1-CG 4.47Å; V423-Y425 VanDerWaalsContact CG1-CZ 3.47Å; Y425-V542 HydrophobicContact CD1-CG1 4.23Å; Y425-V542 HydrophobicContact CD1-CG2 4.09Å; Y425-V542 HydrophobicContact CE1-CG1 3.89Å; Y425-V542 HydrophobicContact CE1-CG2 4.21Å |
| 426 | V | 91.7 | Very high | 82.4 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 109.9 | 172.9 | -176.4 | 0 | 0 | 0 | 0 | 107.8 | F414 V416 R540 Y541 L543 L582 | F414-V426 HydrophobicContact CB-CG1 4.14Å; F414-V426 HydrophobicContact CD2-CG1 3.51Å; F414-V426 HydrophobicContact CE2-CG1 4.07Å; F414-V426 HydrophobicContact CG-CG1 3.9Å; V416-V426 HydrophobicContact CG1-CG2 4.4Å; V416-V426 HydrophobicContact CG2-CG1 4.37Å; V416-V426 HydrophobicContact CG2-CG2 4.3Å; V426-R540 PolarHBondContact O-N 3.33Å; V426-Y541 HydrophobicContact CB-CD2 4.19Å; V426-Y541 HydrophobicContact CG1-CD2 4.17Å; V426-Y541 PolarHBondContact N-O 2.92Å; V426-Y541 PolarHBondContact O-N 3.49Å; V426-L543 HydrophobicContact CG2-CD1 3.97Å; V426-L543 HydrophobicContact CG2-CG 4.31Å; V426-L582 HydrophobicContact CG2-CD2 4.38Å |
| 427 | L | 90.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 142.9 | 177.8 | -50.4 | 175.6 | 0 | 0 | 0 | 109.1 | L284 I304 F414 V415 M537 K538 C539 | L284-L427 HydrophobicContact CD2-CD1 3.54Å; I304-L427 HydrophobicContact CD1-CD1 4.46Å; I304-L427 HydrophobicContact CG2-CD1 4.04Å; I304-L427 HydrophobicContact CG2-CD2 4.24Å; F414-L427 CarbonylContact C-O 3.55Å; F414-L427 WeakPolarHBondContact CA-O 3.31Å; V415-L427 HydrophobicContact CB-CB 4.22Å; V415-L427 HydrophobicContact CB-CD1 4.47Å; V415-L427 HydrophobicContact CG1-CD1 4.34Å; V415-L427 PolarHBondContact N-O 3.34Å; V415-L427 PolarHBondContact O-N 3Å; L427-M537 HydrophobicContact CB-CB 4.18Å; L427-M537 HydrophobicContact CB-CE 3.79Å; L427-M537 HydrophobicContact CB-SD 4.32Å; L427-M537 WeakPolarHBondContact O-CE 3.1Å; L427-K538 CarbonylContact C-O 3.48Å; L427-K538 WeakPolarHBondContact CA-O 3.42Å; L427-C539 HydrophobicContact CD2-CB 4.05Å |
| 428 | G | 87.2 | Confident | 79.9 | Confident | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 160.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K538 | G428-K538 PolarHBondContact N-O 2.86Å; G428-K538 PolarHBondContact O-N 3.03Å; G428-K538 VanDerWaalsContact O-N 3.07Å |
| 429 | Y | 84.1 | Confident | 78.8 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | trans | -73.2 | 140 | 175.3 | -61.7 | -77.3 | 0 | 0 | 0 | 111.1 | D413 L431 R532 M537 R540 | D413-Y429 HydrophobicContact CB-CD2 4.1Å; Y429-L431 PolarHBondContact O-N 3.07Å; Y429-R532 HydrophobicContact CD2-CG 4.11Å; Y429-R532 HydrophobicContact CE1-CB 4.36Å; Y429-R532 HydrophobicContact CE1-CG 4.31Å; Y429-R532 HydrophobicContact CE2-CG 3.8Å; Y429-R532 HydrophobicContact CG-CG 4.48Å; Y429-M537 HydrophobicContact CD1-CG 4.2Å; Y429-M537 HydrophobicContact CE1-CG 3.7Å; Y429-M537 HydrophobicContact CE2-CE 4.23Å; Y429-M537 HydrophobicContact CE2-CG 4.42Å; Y429-R540 PolarHBondContact O-NH2 3.15Å | ||
| 430 | D | 77.2 | Confident | 77.9 | Confident | 52 Ų | 52 | 40.3 Ų | 40.3 | 28% | 0.278 | 20% | 0.2 | S | C | . | . | trans | -98.4 | 81.5 | 179.1 | -173.1 | -6 | 0 | 0 | 0 | 110.7 | Q432 A433 T434 K538 | D430-Q432 PolarHBondContact O-N 3.37Å; D430-Q432 PolarHBondContact OD1-N 2.92Å; D430-A433 HydrophobicContact CB-CB 4.03Å; D430-A433 PolarHBondContact O-N 3.36Å; D430-A433 PolarHBondContact OD1-N 3.48Å; D430-A433 WeakPolarHBondContact OD2-CB 3.36Å; D430-T434 PolarHBondContact O-N 2.93Å; D430-T434 PolarHBondContact O-OG1 3.1Å; D430-T434 VanDerWaalsContact O-OG1 3.1Å; D430-K538 HydrophobicContact CB-CD 4.38Å; D430-K538 IonicContact OD2-NZ 3.98Å | ||
| 431 | L | 74.9 | Confident | 76.9 | Confident | 57 Ų | 57 | 38.5 Ų | 38.5 | 30% | 0.298 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -58.5 | -29 | -179.9 | -66.6 | 170.2 | 0 | 0 | 0 | 112.9 | Y429 K435 E528 | Y429-L431 PolarHBondContact O-N 3.07Å; L431-K435 VanDerWaalsContact O-CB 3.31Å; L431-K435 WeakPolarHBondContact O-CB 3.47Å; L431-K435 PolarHBondContact O-N 3.19Å; L431-E528 HydrophobicContact CD1-CG 4.13Å; L431-E528 HydrophobicContact CD2-CB 4.38Å; L431-E528 HydrophobicContact CD2-CG 3.86Å |
| 432 | Q | 71.9 | Confident | 75.7 | Confident | 164 Ų | 164 | 39.1 Ų | 39.1 | 77% | 0.766 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -73.7 | -43.2 | 179.3 | -69.6 | -174 | -17 | 0 | 0 | 111.2 | D430 T434 K435 K436 | D430-Q432 PolarHBondContact O-N 3.37Å; D430-Q432 PolarHBondContact OD1-N 2.92Å; Q432-T434 VanDerWaalsContact C-N 3.35Å; Q432-K435 PolarHBondContact O-N 2.9Å; Q432-K436 WeakPolarHBondContact O-CB 3.36Å; Q432-K436 PolarHBondContact O-N 3.36Å |
| 433 | A | 70.5 | Confident | 74.3 | Confident | 32 Ų | 32 | 43.8 Ų | 43.8 | 26% | 0.264 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -64.6 | -40.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | D430 K436 F437 | D430-A433 HydrophobicContact CB-CB 4.03Å; D430-A433 PolarHBondContact O-N 3.36Å; D430-A433 PolarHBondContact OD1-N 3.48Å; D430-A433 WeakPolarHBondContact OD2-CB 3.36Å; A433-K436 PolarHBondContact O-N 3.4Å; A433-F437 WeakPolarHBondContact O-CB 3.22Å; A433-F437 PolarHBondContact O-N 2.82Å |
| 434 | T | 68.1 | Low | 72.6 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.3 | -48.9 | 173.5 | -60.6 | 0 | 0 | 0 | 0 | 111 | D430 Q432 K436 F437 L438 L527 S531 F535 | D430-T434 PolarHBondContact O-N 2.93Å; D430-T434 PolarHBondContact O-OG1 3.1Å; D430-T434 VanDerWaalsContact O-OG1 3.1Å; Q432-T434 VanDerWaalsContact C-N 3.35Å; T434-K436 PolarHBondContact O-N 3.17Å; T434-F437 PolarHBondContact O-N 3.49Å; T434-L438 HydrophobicContact CG2-CD1 4.17Å; T434-L438 WeakPolarHBondContact O-CG 3.38Å; T434-L438 PolarHBondContact O-N 3.14Å; T434-L527 HydrophobicContact CG2-CD1 4.17Å; T434-S531 PolarHBondContact OG1-OG 2.82Å; T434-F535 HydrophobicContact CG2-CD2 3.68Å; T434-F535 HydrophobicContact CG2-CE2 3.39Å; T434-F535 HydrophobicContact CG2-CZ 4.13Å; T434-F535 WeakPolarHBondContact OG1-CD2 3.23Å |
| 435 | K | 68.7 | Low | 70.2 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 176.7 | -173.6 | 175.9 | -179.3 | 177.7 | 0 | 111.5 | L431 Q432 L438 T439 | L431-K435 VanDerWaalsContact O-CB 3.31Å; L431-K435 WeakPolarHBondContact O-CB 3.47Å; L431-K435 PolarHBondContact O-N 3.19Å; Q432-K435 PolarHBondContact O-N 2.9Å; K435-L438 PolarHBondContact O-N 2.99Å; K435-T439 WeakPolarHBondContact O-CG2 3.38Å; K435-T439 PolarHBondContact O-N 3.28Å; K435-T439 PolarHBondContact O-OG1 2.95Å |
| 436 | K | 71.1 | Confident | 67.6 | Low | 129 Ų | 129 | 54.7 Ų | 54.7 | 56% | 0.561 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -62 | -43.9 | 178.4 | -175.3 | -179.8 | 175.4 | -177.2 | 0 | 111.9 | Q432 A433 T434 L438 T439 D440 | Q432-K436 WeakPolarHBondContact O-CB 3.36Å; Q432-K436 PolarHBondContact O-N 3.36Å; A433-K436 PolarHBondContact O-N 3.4Å; T434-K436 PolarHBondContact O-N 3.17Å; K436-L438 VanDerWaalsContact C-N 3.34Å; K436-L438 PolarHBondContact O-N 3.09Å; K436-T439 VanDerWaalsContact CA-OG1 3.28Å; K436-T439 WeakPolarHBondContact CA-OG1 3.28Å; K436-T439 PolarHBondContact O-N 2.96Å; K436-T439 PolarHBondContact O-OG1 2.74Å; K436-D440 WeakPolarHBondContact CE-OD2 3.48Å; K436-D440 WeakPolarHBondContact O-CB 3.37Å; K436-D440 PolarHBondContact O-N 2.8Å |
| 437 | F | 68.9 | Low | 64.9 | Low | 72 Ų | 72 | 62.3 Ų | 62.3 | 32% | 0.316 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 177.3 | 176.8 | -89.9 | 0 | 0 | 0 | 111.3 | A433 T434 T439 D440 A441 F469 F535 | A433-F437 WeakPolarHBondContact O-CB 3.22Å; A433-F437 PolarHBondContact O-N 2.82Å; T434-F437 PolarHBondContact O-N 3.49Å; F437-T439 VanDerWaalsContact C-N 3.33Å; F437-T439 PolarHBondContact O-N 2.99Å; F437-D440 PolarHBondContact O-N 3.39Å; F437-A441 WeakPolarHBondContact O-CB 3.24Å; F437-A441 PolarHBondContact O-N 3.28Å; F437-F469 HydrophobicContact CZ-CD1 4.28Å; F437-F469 HydrophobicContact CZ-CE1 4.45Å; F437-F535 HydrophobicContact CB-CE1 4.15Å; F437-F535 HydrophobicContact CB-CZ 3.98Å; F437-F535 HydrophobicContact CD1-CE1 4.15Å; F437-F535 AromaticContact CD1-CZ 3.53Å; F437-F535 HydrophobicContact CD1-CZ 3.53Å; F437-F535 HydrophobicContact CE1-CZ 4.16Å; F437-F535 HydrophobicContact CG-CE1 4.04Å; F437-F535 AromaticContact CG-CZ 3.83Å; F437-F535 HydrophobicContact CG-CZ 3.83Å |
| 438 | L | 66.8 | Low | 62 | Low | 11 Ų | 11 | 71.8 Ų | 71.8 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.7 | -41.4 | 175.5 | -68.9 | 170.4 | 0 | 0 | 0 | 111.1 | T434 K435 K436 L442 L527 | T434-L438 HydrophobicContact CG2-CD1 4.17Å; T434-L438 WeakPolarHBondContact O-CG 3.38Å; T434-L438 PolarHBondContact O-N 3.14Å; K435-L438 PolarHBondContact O-N 2.99Å; K436-L438 VanDerWaalsContact C-N 3.34Å; K436-L438 PolarHBondContact O-N 3.09Å; L438-L442 WeakPolarHBondContact O-CD1 3.5Å; L438-L442 WeakPolarHBondContact O-CG 3.33Å; L438-L442 PolarHBondContact O-N 3.31Å; L438-L527 HydrophobicContact CD1-CD1 3.54Å |
| 439 | T | 66.1 | Low | 59.3 | Low | 53 Ų | 53 | 76.4 Ų | 76.4 | 33% | 0.325 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 175.4 | 55.5 | 0 | 0 | 0 | 0 | 113.8 | K435 K436 F437 L442 C443 | K435-T439 WeakPolarHBondContact O-CG2 3.38Å; K435-T439 PolarHBondContact O-N 3.28Å; K435-T439 PolarHBondContact O-OG1 2.95Å; K436-T439 VanDerWaalsContact CA-OG1 3.28Å; K436-T439 WeakPolarHBondContact CA-OG1 3.28Å; K436-T439 PolarHBondContact O-N 2.96Å; K436-T439 PolarHBondContact O-OG1 2.74Å; F437-T439 VanDerWaalsContact C-N 3.33Å; F437-T439 PolarHBondContact O-N 2.99Å; T439-L442 WeakPolarHBondContact O-CB 3.11Å; T439-L442 PolarHBondContact O-N 2.8Å; T439-C443 PolarHBondContact O-N 2.77Å; T439-C443 VanDerWaalsContact O-N 3.14Å |
| 440 | D | 67.5 | Low | 56.6 | Low | 83 Ų | 83 | 88.1 Ų | 88.1 | 44% | 0.444 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 179.1 | -70.2 | -11.5 | 0 | 0 | 0 | 110.7 | K436 F437 L442 C443 | K436-D440 WeakPolarHBondContact CE-OD2 3.48Å; K436-D440 WeakPolarHBondContact O-CB 3.37Å; K436-D440 PolarHBondContact O-N 2.8Å; F437-D440 PolarHBondContact O-N 3.39Å; D440-L442 PolarHBondContact O-N 2.83Å; D440-C443 PolarHBondContact O-N 3.24Å |
| 441 | A | 61.9 | Low | 54.1 | Low | 15 Ų | 15 | 88.9 Ų | 88.9 | 12% | 0.124 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -61.6 | -31.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F437 | F437-A441 WeakPolarHBondContact O-CB 3.24Å; F437-A441 PolarHBondContact O-N 3.28Å |
| 442 | L | 53.9 | Low | 51.7 | Low | 32 Ų | 32 | 93.5 Ų | 93.5 | 17% | 0.168 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -73.8 | -43.8 | 178.5 | -72.5 | 167.1 | 0 | 0 | 0 | 113.3 | L438 T439 D440 N444 N445 F483 L486 T487 | L438-L442 WeakPolarHBondContact O-CD1 3.5Å; L438-L442 WeakPolarHBondContact O-CG 3.33Å; L438-L442 PolarHBondContact O-N 3.31Å; T439-L442 WeakPolarHBondContact O-CB 3.11Å; T439-L442 PolarHBondContact O-N 2.8Å; D440-L442 PolarHBondContact O-N 2.83Å; L442-N444 PolarHBondContact O-N 3.13Å; L442-N445 PolarHBondContact O-N 2.79Å; L442-F483 HydrophobicContact CD2-CD2 4Å; L442-F483 HydrophobicContact CD2-CE1 4.04Å; L442-F483 HydrophobicContact CD2-CE2 3.44Å; L442-F483 VanDerWaalsContact CD2-CE2 3.44Å; L442-F483 HydrophobicContact CD2-CZ 3.47Å; L442-F483 VanDerWaalsContact CD2-CZ 3.47Å; L442-F483 HydrophobicContact CG-CE2 4.14Å; L442-L486 HydrophobicContact CD1-CB 4.16Å; L442-T487 HydrophobicContact CD2-CG2 3.32Å |
| 443 | C | 52.6 | Low | 49.6 | Very low | 98 Ų | 98 | 96.4 Ų | 96.4 | 66% | 0.662 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -24.9 | -178.9 | -70.3 | 0 | 0 | 0 | 0 | 113.5 | T439 D440 N445 | T439-C443 PolarHBondContact O-N 2.77Å; T439-C443 VanDerWaalsContact O-N 3.14Å; D440-C443 PolarHBondContact O-N 3.24Å; C443-N445 PolarHBondContact O-N 2.86Å |
| 444 | N | 49.8 | Very low | 47.3 | Very low | 82 Ų | 82 | 104.6 Ų | 104.6 | 44% | 0.439 | 55% | 0.546 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 7.5 | 179.9 | -79.1 | -14.7 | 0 | 0 | 0 | 114.8 | L442 | L442-N444 PolarHBondContact O-N 3.13Š|
| 445 | N | 41 | Very low | 45.3 | Very low | 98 Ų | 98 | 111 Ų | 111 | 52% | 0.524 | 59% | 0.585 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -13.7 | 175.1 | -77.5 | -7.6 | 0 | 0 | 0 | 114.3 | L442 C443 R470 | L442-N445 PolarHBondContact O-N 2.79Å; C443-N445 PolarHBondContact O-N 2.86Å; N445-R470 PolarHBondContact OD1-NH2 2.76Å |
| 446 | G | 36.2 | Very low | 43.4 | Very low | 51 Ų | 51 | 111 Ų | 111 | 53% | 0.526 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -89.5 | -8.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 447 | N | 33.6 | Very low | 41.1 | Very low | 161 Ų | 161 | 112.2 Ų | 112.2 | 86% | 0.861 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -111.3 | 25.1 | -161.9 | -80.6 | -8.1 | 0 | 0 | 0 | 116.7 | ||
| 448 | E | 30.4 | Very low | 39 | Very low | 199 Ų | 199 | 117.9 Ų | 117.9 | 93% | 0.93 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -107.2 | -0.7 | 166.9 | -76 | -165.2 | 161.5 | 0 | 0 | 114.8 | ||
| 449 | S | 31.3 | Very low | 37 | Very low | 97 Ų | 97 | 123.9 Ų | 123.9 | 68% | 0.678 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -145.5 | 75 | 179.1 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 450 | R | 25.9 | Very low | 35 | Very low | 254 Ų | 254 | 131 Ų | 131 | 96% | 0.958 | 70% | 0.7 | S | S | * | * | trans | -166.8 | 115.3 | 146.4 | -105.1 | 157.4 | -164.9 | -150.2 | 4.9 | 109.6 | ||||
| 451 | G | 25 | Very low | 33 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | -76.4 | 170.1 | -171.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 452 | N | 24.2 | Very low | 31.2 | Very low | 154 Ų | 154 | 142.4 Ų | 142.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | 51.8 | 86.7 | 148.1 | -64.2 | -14.7 | 0 | 0 | 0 | 117.4 | ||||
| 453 | F | 27.4 | Very low | 30.1 | Very low | 225 Ų | 225 | 144.8 Ų | 144.8 | 99% | 0.987 | 77% | 0.772 | S | S | * | * | -145.5 | 128 | 124.1 | -95 | -77.1 | 0 | 0 | 0 | 110 | |||||
| 454 | K | 23.4 | Very low | 29 | Very low | 204 Ų | 204 | 147 Ų | 147 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -72.3 | 124.5 | 179.5 | -67.6 | 170.7 | 173.9 | 175.2 | 0 | 109.8 | ||||
| 455 | T | 25.4 | Very low | 28.3 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | -169.8 | 149.1 | 111.7 | 33.9 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 456 | P | 29.1 | Very low | 28 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | trans | -98.4 | 149.3 | -162.8 | 36.8 | -30.3 | 0 | 0 | 0 | 113.8 | ||||
| 457 | N | 22.8 | Very low | 28.3 | Very low | 154 Ų | 154 | 150.9 Ų | 150.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | trans | 128.7 | 62.2 | 151.8 | -67.1 | -15.1 | 0 | 0 | 0 | 114 | ||||
| 458 | E | 25.7 | Very low | 28.9 | Very low | 190 Ų | 190 | 148.7 Ų | 148.7 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -127.6 | 116.5 | 147.5 | -74 | -167.8 | 162.3 | 0 | 0 | 109.3 | K460 | E458-K460 PolarHBondContact O-N 2.76Å; E458-K460 VanDerWaalsContact O-N 3.09Å | ||
| 459 | T | 24 | Very low | 29.7 | Very low | 138 Ų | 138 | 142.7 Ų | 142.7 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | trans | -57.2 | 106 | 179 | 40.9 | 0 | 0 | 0 | 0 | 110.3 | L461 | T459-L461 PolarHBondContact O-N 2.85Š| ||
| 460 | K | 23.9 | Very low | 30.6 | Very low | 201 Ų | 201 | 143 Ų | 143 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -57.3 | 103.9 | 171.6 | -72.8 | -179.9 | 175.1 | -177.8 | 0 | 110.2 | E458 Q462 | E458-K460 PolarHBondContact O-N 2.76Å; E458-K460 VanDerWaalsContact O-N 3.09Å; K460-Q462 PolarHBondContact O-N 3.44Å | ||
| 461 | L | 25.4 | Very low | 31.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 87% | 0.874 | 71% | 0.712 | S | S | * | * | trans | -65.5 | 105.7 | 158.4 | -88.5 | 142 | 0 | 0 | 0 | 107.7 | T459 S463 | T459-L461 PolarHBondContact O-N 2.85Å; L461-S463 PolarHBondContact O-N 2.73Å | ||
| 462 | Q | 24.8 | Very low | 33.1 | Very low | 171 Ų | 171 | 137.9 Ų | 137.9 | 80% | 0.799 | 70% | 0.699 | S | S | * | * | trans | -68.2 | 96.8 | 169 | -76.2 | 178.1 | -23.3 | 0 | 0 | 109 | K460 N464 | K460-Q462 PolarHBondContact O-N 3.44Å; Q462-N464 PolarHBondContact O-N 2.86Å | ||
| 463 | S | 30.4 | Very low | 34.5 | Very low | 82 Ų | 82 | 131.1 Ų | 131.1 | 57% | 0.573 | 66% | 0.663 | S | S | * | * | trans | -76.4 | 97.2 | 163.4 | 59.5 | 0 | 0 | 0 | 0 | 108.6 | L461 V465 | L461-S463 PolarHBondContact O-N 2.73Å; S463-V465 PolarHBondContact O-N 3.18Å | ||
| 464 | N | 29 | Very low | 35.6 | Very low | 144 Ų | 144 | 125.7 Ų | 125.7 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -69.7 | 90.8 | 169.6 | -76.3 | -20.5 | 0 | 0 | 0 | 109.3 | Q462 | Q462-N464 PolarHBondContact O-N 2.86Š| ||
| 465 | V | 36.5 | Very low | 37.2 | Very low | 56 Ų | 56 | 122 Ų | 122 | 34% | 0.339 | 63% | 0.634 | S | S | . | * | trans | -75.9 | 121.3 | 156.9 | 179.4 | 0 | 0 | 0 | 0 | 106.3 | S463 K467 | S463-V465 PolarHBondContact O-N 3.18Å; V465-K467 PolarHBondContact O-N 2.97Å | ||
| 466 | P | 34.8 | Very low | 38.7 | Very low | 77 Ų | 77 | 117.3 Ų | 117.3 | 50% | 0.5 | 61% | 0.606 | S | S | . | * | trans | -60.3 | 128.6 | 178 | -18.7 | 30.5 | 0 | 0 | 0 | 109.4 | D468 F469 | P466-D468 PolarHBondContact O-N 2.93Å; P466-F469 PolarHBondContact O-N 3.39Å | ||
| 467 | K | 41.1 | Very low | 40.2 | Very low | 181 Ų | 181 | 116.6 Ų | 116.6 | 79% | 0.787 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -51.6 | -31.6 | 178.6 | -72.7 | -177.5 | 173.3 | -176.9 | 0 | 112.1 | V465 F469 R470 | V465-K467 PolarHBondContact O-N 2.97Å; K467-F469 VanDerWaalsContact C-N 3.25Å; K467-F469 PolarHBondContact O-N 3.45Å; K467-R470 PolarHBondContact O-N 2.96Å |
| 468 | D | 46 | Very low | 42 | Very low | 114 Ų | 114 | 117 Ų | 117 | 61% | 0.61 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -55 | -34.1 | 177.4 | -51.6 | -8.8 | 0 | 0 | 0 | 113.5 | P466 I472 | P466-D468 PolarHBondContact O-N 2.93Å; D468-I472 WeakPolarHBondContact O-CG1 3.39Å; D468-I472 PolarHBondContact O-N 3.06Å |
| 469 | F | 47 | Very low | 43.6 | Very low | 73 Ų | 73 | 109 Ų | 109 | 32% | 0.32 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.1 | -28.8 | -177.4 | -116.9 | -96.2 | 0 | 0 | 0 | 113.2 | F437 P466 K467 I472 I473 L534 | F437-F469 HydrophobicContact CZ-CD1 4.28Å; F437-F469 HydrophobicContact CZ-CE1 4.45Å; P466-F469 PolarHBondContact O-N 3.39Å; K467-F469 VanDerWaalsContact C-N 3.25Å; K467-F469 PolarHBondContact O-N 3.45Å; F469-I472 PolarHBondContact O-N 2.8Å; F469-I473 WeakPolarHBondContact O-CG1 3.14Å; F469-I473 PolarHBondContact O-N 2.81Å; F469-L534 HydrophobicContact CE1-CD1 3.69Å; F469-L534 HydrophobicContact CE1-CD2 3.98Å; F469-L534 HydrophobicContact CE1-CG 4.03Å; F469-L534 HydrophobicContact CZ-CD1 3.96Å |
| 470 | R | 49.9 | Very low | 45.4 | Very low | 105 Ų | 105 | 103.8 Ų | 103.8 | 40% | 0.396 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -70.3 | -36.8 | 176.1 | -76.2 | -177.3 | 171.2 | 176.9 | -6.4 | 111.3 | N445 K467 I473 L474 | N445-R470 PolarHBondContact OD1-NH2 2.76Å; K467-R470 PolarHBondContact O-N 2.96Å; R470-I473 PolarHBondContact O-N 2.84Å; R470-L474 WeakPolarHBondContact O-CG 3.36Å; R470-L474 PolarHBondContact O-N 3.35Å |
| 471 | E | 50.9 | Low | 47.2 | Very low | 127 Ų | 127 | 101.1 Ų | 101.1 | 59% | 0.593 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -41.9 | 174.2 | -80.4 | -175.2 | 165.5 | 0 | 0 | 111.8 | I473 L474 N475 | E471-I473 VanDerWaalsContact C-N 3.34Å; E471-I473 PolarHBondContact O-N 2.88Å; E471-L474 PolarHBondContact O-N 3.23Å; E471-N475 VanDerWaalsContact O-CB 3.24Å; E471-N475 WeakPolarHBondContact O-CB 3.5Å; E471-N475 PolarHBondContact O-N 2.88Å; E471-N475 PolarHBondContact O-ND2 2.89Å |
| 472 | I | 54.1 | Low | 48.8 | Very low | 88 Ų | 88 | 93.9 Ų | 93.9 | 45% | 0.451 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 178.5 | -62.7 | 167.5 | 0 | 0 | 0 | 111.7 | D468 F469 S476 | D468-I472 WeakPolarHBondContact O-CG1 3.39Å; D468-I472 PolarHBondContact O-N 3.06Å; F469-I472 PolarHBondContact O-N 2.8Å; I472-S476 PolarHBondContact O-N 3.1Å |
| 473 | I | 53.5 | Low | 50.2 | Low | 12 Ų | 12 | 87.5 Ų | 87.5 | 6% | 0.062 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 177.9 | -64.9 | 169.5 | 0 | 0 | 0 | 110.8 | F469 R470 E471 L479 F483 | F469-I473 WeakPolarHBondContact O-CG1 3.14Å; F469-I473 PolarHBondContact O-N 2.81Å; R470-I473 PolarHBondContact O-N 2.84Å; E471-I473 VanDerWaalsContact C-N 3.34Å; E471-I473 PolarHBondContact O-N 2.88Å; I473-L479 HydrophobicContact CG2-CB 4.41Å; I473-F483 HydrophobicContact CG2-CB 4.48Å; I473-F483 HydrophobicContact CG2-CD2 3.9Å; I473-F483 HydrophobicContact CG2-CE2 4.43Å; I473-F483 HydrophobicContact CG2-CG 4.31Å |
| 474 | L | 51 | Low | 51.6 | Low | 110 Ų | 110 | 86.2 Ų | 86.2 | 58% | 0.576 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -70.9 | -30.1 | 179.9 | -72 | 167.8 | 0 | 0 | 0 | 112.8 | R470 E471 S476 | R470-L474 WeakPolarHBondContact O-CG 3.36Å; R470-L474 PolarHBondContact O-N 3.35Å; E471-L474 PolarHBondContact O-N 3.23Å; L474-S476 VanDerWaalsContact C-N 3.34Å; L474-S476 PolarHBondContact O-N 2.85Å |
| 475 | N | 55 | Low | 52.9 | Low | 127 Ų | 127 | 83.7 Ų | 83.7 | 68% | 0.679 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -76.3 | -17.9 | -179.8 | -73.6 | -16.5 | 0 | 0 | 0 | 113.8 | E471 P477 | E471-N475 VanDerWaalsContact O-CB 3.24Å; E471-N475 WeakPolarHBondContact O-CB 3.5Å; E471-N475 PolarHBondContact O-N 2.88Å; E471-N475 PolarHBondContact O-ND2 2.89Å; N475-P477 WeakPolarHBondContact O-CD 3.22Å |
| 476 | S | 56.8 | Low | 53.6 | Low | 37 Ų | 37 | 85.1 Ų | 85.1 | 26% | 0.259 | 42% | 0.423 | S | S | . | . | trans | -97.1 | 112.6 | 175.9 | 167.6 | 0 | 0 | 0 | 0 | 110.3 | I472 L474 K478 L479 S480 | I472-S476 PolarHBondContact O-N 3.1Å; L474-S476 VanDerWaalsContact C-N 3.34Å; L474-S476 PolarHBondContact O-N 2.85Å; S476-K478 PolarHBondContact O-N 2.74Å; S476-L479 PolarHBondContact O-N 2.76Å; S476-L479 VanDerWaalsContact O-N 3.09Å; S476-L479 PolarHBondContact OG-N 2.97Å; S476-S480 WeakPolarHBondContact O-CB 3.34Å; S476-S480 PolarHBondContact O-N 2.74Å | ||
| 477 | P | 60.6 | Low | 54.3 | Low | 94 Ų | 94 | 84.2 Ų | 84.2 | 61% | 0.61 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.2 | -28 | 179.2 | 21.4 | -30.8 | 0 | 0 | 0 | 112.5 | N475 K481 | N475-P477 WeakPolarHBondContact O-CD 3.22Å; P477-K481 WeakPolarHBondContact O-CB 3.36Å; P477-K481 VanDerWaalsContact O-CG 3.27Å; P477-K481 WeakPolarHBondContact O-CG 3.33Å; P477-K481 PolarHBondContact O-N 2.66Å |
| 478 | K | 61.5 | Low | 54.8 | Low | 163 Ų | 163 | 78.3 Ų | 78.3 | 71% | 0.709 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -68.2 | -45.6 | 173.8 | -69.3 | -176.4 | -179.3 | 178.1 | 0 | 111.3 | S476 K481 V482 | S476-K478 PolarHBondContact O-N 2.74Å; K478-K481 PolarHBondContact O-N 3.48Å; K478-V482 WeakPolarHBondContact O-CG2 3.28Å; K478-V482 PolarHBondContact O-N 3.01Å; K478-V482 VanDerWaalsContact O-N 3.13Å |
| 479 | L | 58.8 | Low | 54.7 | Low | 23 Ų | 23 | 77.2 Ų | 77.2 | 12% | 0.12 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 176.7 | -84.9 | 164.7 | 0 | 0 | 0 | 111.5 | I473 S476 K481 V482 F483 V530 | I473-L479 HydrophobicContact CG2-CB 4.41Å; S476-L479 PolarHBondContact O-N 2.76Å; S476-L479 VanDerWaalsContact O-N 3.09Å; S476-L479 PolarHBondContact OG-N 2.97Å; L479-K481 VanDerWaalsContact C-N 3.35Å; L479-K481 PolarHBondContact O-N 2.82Å; L479-V482 CarbonylContact O-C 3.39Å; L479-V482 PolarHBondContact O-N 2.85Å; L479-F483 WeakPolarHBondContact O-CB 3.37Å; L479-F483 PolarHBondContact O-N 3.3Å; L479-V530 HydrophobicContact CD2-CB 4.15Å; L479-V530 HydrophobicContact CD2-CG1 3.64Å; L479-V530 HydrophobicContact CD2-CG2 3.34Å; L479-V530 HydrophobicContact CG-CG2 4.03Å |
| 480 | S | 61.8 | Low | 54 | Low | 27 Ų | 27 | 79 Ų | 79 | 19% | 0.189 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.8 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | S476 F483 N484 | S476-S480 WeakPolarHBondContact O-CB 3.34Å; S476-S480 PolarHBondContact O-N 2.74Å; S480-F483 WeakPolarHBondContact O-CB 3.46Å; S480-F483 PolarHBondContact O-N 3.02Å; S480-N484 WeakPolarHBondContact O-CB 3.18Å; S480-N484 PolarHBondContact O-N 2.81Å; S480-N484 PolarHBondContact O-OD1 3.3Å |
| 481 | K | 62.9 | Low | 53.2 | Low | 146 Ų | 146 | 81.8 Ų | 81.8 | 64% | 0.635 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.2 | -46.7 | 171.8 | -78.1 | 178.2 | -179.6 | -171.6 | 0 | 112.9 | P477 K478 L479 F483 N484 K485 | P477-K481 WeakPolarHBondContact O-CB 3.36Å; P477-K481 VanDerWaalsContact O-CG 3.27Å; P477-K481 WeakPolarHBondContact O-CG 3.33Å; P477-K481 PolarHBondContact O-N 2.66Å; K478-K481 PolarHBondContact O-N 3.48Å; L479-K481 VanDerWaalsContact C-N 3.35Å; L479-K481 PolarHBondContact O-N 2.82Å; K481-F483 VanDerWaalsContact C-N 3.28Å; K481-F483 PolarHBondContact O-N 3.21Å; K481-N484 PolarHBondContact O-N 2.97Å; K481-K485 WeakPolarHBondContact O-CB 3.45Å; K481-K485 WeakPolarHBondContact O-CG 3.32Å; K481-K485 PolarHBondContact O-N 3.18Å |
| 482 | V | 57.3 | Low | 52.1 | Low | 14 Ų | 14 | 85 Ų | 85 | 9% | 0.085 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.1 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | K478 L479 L486 T526 | K478-V482 WeakPolarHBondContact O-CG2 3.28Å; K478-V482 PolarHBondContact O-N 3.01Å; K478-V482 VanDerWaalsContact O-N 3.13Å; L479-V482 CarbonylContact O-C 3.39Å; L479-V482 PolarHBondContact O-N 2.85Å; V482-L486 HydrophobicContact CG1-CD1 3.86Å; V482-L486 HydrophobicContact CG1-CG 4.43Å; V482-L486 WeakPolarHBondContact O-CB 3.34Å; V482-L486 WeakPolarHBondContact O-CD1 3.35Å; V482-L486 WeakPolarHBondContact O-CG 3.41Å; V482-L486 PolarHBondContact O-N 3.45Å; V482-T526 HydrophobicContact CG2-CG2 4.31Å; V482-T526 WeakPolarHBondContact CG2-OG1 3.39Å |
| 483 | F | 55.8 | Low | 51 | Low | 38 Ų | 38 | 86.5 Ų | 86.5 | 17% | 0.167 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.8 | -48.2 | 177.8 | -171.4 | -91.7 | 0 | 0 | 0 | 111.6 | L442 I473 L479 S480 K481 L486 T487 | L442-F483 HydrophobicContact CD2-CD2 4Å; L442-F483 HydrophobicContact CD2-CE1 4.04Å; L442-F483 HydrophobicContact CD2-CE2 3.44Å; L442-F483 VanDerWaalsContact CD2-CE2 3.44Å; L442-F483 HydrophobicContact CD2-CZ 3.47Å; L442-F483 VanDerWaalsContact CD2-CZ 3.47Å; L442-F483 HydrophobicContact CG-CE2 4.14Å; I473-F483 HydrophobicContact CG2-CB 4.48Å; I473-F483 HydrophobicContact CG2-CD2 3.9Å; I473-F483 HydrophobicContact CG2-CE2 4.43Å; I473-F483 HydrophobicContact CG2-CG 4.31Å; L479-F483 WeakPolarHBondContact O-CB 3.37Å; L479-F483 PolarHBondContact O-N 3.3Å; S480-F483 WeakPolarHBondContact O-CB 3.46Å; S480-F483 PolarHBondContact O-N 3.02Å; K481-F483 VanDerWaalsContact C-N 3.28Å; K481-F483 PolarHBondContact O-N 3.21Å; F483-L486 PolarHBondContact O-N 2.74Å; F483-T487 HydrophobicContact CD1-CG2 4.49Å; F483-T487 HydrophobicContact CE1-CG2 4.34Å; F483-T487 WeakPolarHBondContact O-CG2 3.48Å; F483-T487 PolarHBondContact O-N 3.07Å; F483-T487 PolarHBondContact O-OG1 3.43Å |
| 484 | N | 59.9 | Low | 49.5 | Very low | 55 Ų | 55 | 94.3 Ų | 94.3 | 29% | 0.294 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 178.4 | -69.8 | -7.4 | 0 | 0 | 0 | 112.7 | S480 K481 T487 G488 T489 | S480-N484 WeakPolarHBondContact O-CB 3.18Å; S480-N484 PolarHBondContact O-N 2.81Å; S480-N484 PolarHBondContact O-OD1 3.3Å; K481-N484 PolarHBondContact O-N 2.97Å; N484-T487 VanDerWaalsContact C-OG1 3.28Å; N484-T487 WeakPolarHBondContact CA-OG1 3.3Å; N484-T487 PolarHBondContact O-N 2.84Å; N484-T487 PolarHBondContact O-OG1 3.28Å; N484-G488 PolarHBondContact O-N 2.79Å; N484-G488 VanDerWaalsContact O-N 3.09Å; N484-T489 PolarHBondContact O-N 2.85Å; N484-T489 PolarHBondContact O-OG1 2.87Å |
| 485 | K | 56.7 | Low | 48.3 | Very low | 90 Ų | 90 | 96.4 Ų | 96.4 | 39% | 0.391 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 172.6 | -77.7 | -175.5 | 176.9 | -174.8 | 0 | 112.2 | K481 T487 G488 E522 D523 | K481-K485 WeakPolarHBondContact O-CB 3.45Å; K481-K485 WeakPolarHBondContact O-CG 3.32Å; K481-K485 PolarHBondContact O-N 3.18Å; K485-T487 VanDerWaalsContact C-N 3.27Å; K485-T487 PolarHBondContact O-N 3.45Å; K485-G488 PolarHBondContact O-N 3.22Å; K485-E522 IonicContact NZ-OE2 2.64Å; K485-D523 IonicContact NZ-OD1 3.74Å |
| 486 | L | 49.7 | Very low | 46.8 | Very low | 87 Ų | 87 | 96.2 Ų | 96.2 | 46% | 0.455 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.2 | -27.9 | 174.7 | -75 | 167.6 | 0 | 0 | 0 | 112.5 | L442 V482 F483 | L442-L486 HydrophobicContact CD1-CB 4.16Å; V482-L486 HydrophobicContact CG1-CD1 3.86Å; V482-L486 HydrophobicContact CG1-CG 4.43Å; V482-L486 WeakPolarHBondContact O-CB 3.34Å; V482-L486 WeakPolarHBondContact O-CD1 3.35Å; V482-L486 WeakPolarHBondContact O-CG 3.41Å; V482-L486 PolarHBondContact O-N 3.45Å; F483-L486 PolarHBondContact O-N 2.74Å |
| 487 | T | 51 | Low | 45.3 | Very low | 58 Ų | 58 | 101.9 Ų | 101.9 | 36% | 0.356 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -83.6 | -17.9 | 174.5 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | L442 F483 N484 K485 T489 | L442-T487 HydrophobicContact CD2-CG2 3.32Å; F483-T487 HydrophobicContact CD1-CG2 4.49Å; F483-T487 HydrophobicContact CE1-CG2 4.34Å; F483-T487 WeakPolarHBondContact O-CG2 3.48Å; F483-T487 PolarHBondContact O-N 3.07Å; F483-T487 PolarHBondContact O-OG1 3.43Å; N484-T487 VanDerWaalsContact C-OG1 3.28Å; N484-T487 WeakPolarHBondContact CA-OG1 3.3Å; N484-T487 PolarHBondContact O-N 2.84Å; N484-T487 PolarHBondContact O-OG1 3.28Å; K485-T487 VanDerWaalsContact C-N 3.27Å; K485-T487 PolarHBondContact O-N 3.45Å; T487-T489 PolarHBondContact OG1-OG1 2.96Å |
| 488 | G | 50.3 | Low | 43.7 | Very low | 56 Ų | 56 | 102.1 Ų | 102.1 | 58% | 0.577 | 55% | 0.55 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.8 | 23.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | N484 K485 | N484-G488 PolarHBondContact O-N 2.79Å; N484-G488 VanDerWaalsContact O-N 3.09Å; K485-G488 PolarHBondContact O-N 3.22Å |
| 489 | T | 43.5 | Very low | 41.8 | Very low | 92 Ų | 92 | 101.3 Ų | 101.3 | 56% | 0.564 | 55% | 0.553 | S | S | * | * | trans | -93.5 | 17.3 | -174.8 | 48 | 0 | 0 | 0 | 0 | 114.9 | N484 T487 Q491 | N484-T489 PolarHBondContact O-N 2.85Å; N484-T489 PolarHBondContact O-OG1 2.87Å; T487-T489 PolarHBondContact OG1-OG1 2.96Å; T489-Q491 VanDerWaalsContact C-N 3.34Å | ||
| 490 | D | 33.4 | Very low | 40.1 | Very low | 110 Ų | 110 | 107.5 Ų | 107.5 | 59% | 0.588 | 59% | 0.587 | S | S | * | * | trans | -95 | 34 | 175.1 | -79.2 | -12 | 0 | 0 | 0 | 112.5 | ||||
| 491 | Q | 32.3 | Very low | 38.3 | Very low | 163 Ų | 163 | 112.6 Ų | 112.6 | 76% | 0.762 | 62% | 0.621 | S | S | * | * | trans | -96.7 | 107 | 163.9 | -72 | -172.8 | -5.2 | 0 | 0 | 108.6 | T489 V493 | T489-Q491 VanDerWaalsContact C-N 3.34Å; Q491-V493 PolarHBondContact O-N 2.9Å | ||
| 492 | E | 29.2 | Very low | 36.4 | Very low | 195 Ų | 195 | 111.8 Ų | 111.8 | 91% | 0.911 | 63% | 0.628 | S | S | * | * | trans | -54.1 | 105 | 161.1 | -71.1 | 179.3 | 161.6 | 0 | 0 | 107.7 | E494 | E492-E494 PolarHBondContact O-N 2.82Š| ||
| 493 | V | 29.5 | Very low | 34.7 | Very low | 120 Ų | 120 | 115.8 Ų | 115.8 | 73% | 0.727 | 66% | 0.656 | S | S | * | * | trans | -72.7 | 98.6 | 174.2 | 177.9 | 0 | 0 | 0 | 0 | 106.7 | Q491 I495 | Q491-V493 PolarHBondContact O-N 2.9Å; V493-I495 PolarHBondContact O-N 3.48Å | ||
| 494 | E | 23.6 | Very low | 33.2 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 82% | 0.818 | 69% | 0.687 | S | S | * | * | trans | -58.6 | 106.6 | 159.3 | -84.2 | -174.5 | 154.4 | 0 | 0 | 107.9 | E492 T496 | E492-E494 PolarHBondContact O-N 2.82Å; E494-T496 PolarHBondContact O-N 2.66Å | ||
| 495 | I | 25.4 | Very low | 31.5 | Very low | 154 Ų | 154 | 126.1 Ų | 126.1 | 79% | 0.79 | 71% | 0.708 | S | S | * | * | trans | -65.5 | 97.9 | 175.7 | -60 | 160.8 | 0 | 0 | 0 | 106.9 | V493 | V493-I495 PolarHBondContact O-N 3.48Š| ||
| 496 | T | 24 | Very low | 29.9 | Very low | 124 Ų | 124 | 129.1 Ų | 129.1 | 76% | 0.761 | 73% | 0.727 | S | S | * | * | trans | -102.7 | 123.1 | 162.5 | 41.2 | 0 | 0 | 0 | 0 | 108.6 | E494 A498 | E494-T496 PolarHBondContact O-N 2.66Å; T496-A498 PolarHBondContact O-N 3.01Å | ||
| 497 | D | 24 | Very low | 28.7 | Very low | 156 Ų | 156 | 130.4 Ų | 130.4 | 83% | 0.834 | 74% | 0.744 | S | S | * | * | trans | -52 | 127.5 | -178.7 | -69.8 | -48.4 | 0 | 0 | 0 | 112.4 | ||||
| 498 | A | 26.4 | Very low | 27.6 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -140.9 | 81.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | T496 | T496-A498 PolarHBondContact O-N 3.01Š| ||
| 499 | N | 22.1 | Very low | 26.3 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | trans | -65 | 143.3 | 149 | -83.9 | -34.6 | 0 | 0 | 0 | 109.2 | ||||
| 500 | N | 24.2 | Very low | 25.3 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 74.9 | 109.2 | 167.5 | -56.5 | -22.4 | 0 | 0 | 0 | 116.9 | ||||
| 501 | C | 23.4 | Very low | 24.9 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 91% | 0.905 | 80% | 0.797 | S | S | * | * | -167.3 | 129.3 | 114.8 | -99.2 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 502 | T | 22.6 | Very low | 24.6 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -71.1 | 151.2 | 174 | 40.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 503 | S | 21.9 | Very low | 24.5 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | 8 | 121.6 | 153.1 | 56.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 504 | E | 24.3 | Very low | 24.4 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 176.6 | 128.9 | 112.2 | -94.4 | 174.9 | -176.6 | 0 | 0 | 111.2 | |||||
| 505 | D | 24.2 | Very low | 24.7 | Very low | 135 Ų | 135 | 141 Ų | 141 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 52.8 | 112.1 | 144 | -63.4 | -16 | 0 | 0 | 0 | 123.8 | ||||
| 506 | L | 23.3 | Very low | 25.1 | Very low | 153 Ų | 153 | 139.9 Ų | 139.9 | 80% | 0.801 | 80% | 0.797 | S | S | * | * | 53.8 | 101.4 | 121.7 | -64.3 | 160.1 | 0 | 0 | 0 | 119.3 | |||||
| 507 | S | 25.4 | Very low | 25.4 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | 173.7 | 148.9 | 102.8 | 47.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 508 | P | 26.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -103.9 | 110.9 | -167.7 | 34.2 | -22.1 | 0 | 0 | 0 | 112.5 | ||||
| 509 | E | 24 | Very low | 26.3 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -106.7 | 102 | 159.6 | -71.5 | -169.1 | 163.8 | 0 | 0 | 109.4 | H511 | E509-H511 PolarHBondContact O-N 2.97Š| ||
| 510 | M | 22.7 | Very low | 27 | Very low | 165 Ų | 165 | 137.4 Ų | 137.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -67.3 | 95.1 | 174.4 | -88.2 | 173.5 | 52.5 | 0 | 0 | 110.5 | T512 | M510-T512 HydrophobicContact CE-CG2 4.15Å; M510-T512 PolarHBondContact O-N 3.02Å | ||
| 511 | H | 25.2 | Very low | 27.9 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -82.3 | 99.9 | 154.7 | -82.2 | -68.4 | 0 | 0 | 0 | 108.9 | E509 Q513 | E509-H511 PolarHBondContact O-N 2.97Å; H511-Q513 VanDerWaalsContact C-N 3.32Å; H511-Q513 PolarHBondContact O-N 2.91Å | ||
| 512 | T | 25.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 134.1 Ų | 134.1 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | trans | -67.8 | 90.5 | 167.9 | 46.2 | 0 | 0 | 0 | 0 | 109.2 | M510 S514 | M510-T512 HydrophobicContact CE-CG2 4.15Å; M510-T512 PolarHBondContact O-N 3.02Å; T512-S514 PolarHBondContact O-N 3.23Å | ||
| 513 | Q | 26.7 | Very low | 31.1 | Very low | 183 Ų | 183 | 129.9 Ų | 129.9 | 86% | 0.855 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 126.7 | 164.7 | -77.1 | -179.4 | -11.7 | 0 | 0 | 109.4 | H511 | H511-Q513 VanDerWaalsContact C-N 3.32Å; H511-Q513 PolarHBondContact O-N 2.91Å |
| 514 | S | 27.5 | Very low | 33.4 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 123.4 | -178.9 | 46.9 | 0 | 0 | 0 | 0 | 112.5 | T512 | T512-S514 PolarHBondContact O-N 3.23Š|
| 515 | N | 30.6 | Very low | 35.6 | Very low | 146 Ų | 146 | 130 Ų | 130 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 132.9 | 172.1 | -78.7 | -25.6 | 0 | 0 | 0 | 111.9 | L517 | N515-L517 PolarHBondContact O-N 3.4Š|
| 516 | P | 33.5 | Very low | 37.6 | Very low | 131 Ų | 131 | 126 Ų | 126 | 85% | 0.851 | 69% | 0.686 | S | S | * | * | trans | -78 | 85.4 | 179.9 | 32.4 | -32.4 | 0 | 0 | 0 | 110.3 | ||||
| 517 | L | 30.1 | Very low | 39.8 | Very low | 122 Ų | 122 | 120.4 Ų | 120.4 | 64% | 0.639 | 66% | 0.657 | S | S | * | * | trans | -76.9 | 124.3 | 156.8 | -74.7 | 155.7 | 0 | 0 | 0 | 106.8 | N515 M520 | N515-L517 PolarHBondContact O-N 3.4Å; L517-M520 HydrophobicContact CB-CE 4.38Å; L517-M520 HydrophobicContact CD2-CE 3.58Å | ||
| 518 | I | 33 | Very low | 42.1 | Very low | 145 Ų | 145 | 116.4 Ų | 116.4 | 74% | 0.744 | 63% | 0.626 | S | S | * | * | trans | 134.7 | 74.4 | 157.5 | -61.7 | 149.1 | 0 | 0 | 0 | 112.5 | M520 | I518-M520 HydrophobicContact CG1-CG 4.45Š| ||
| 519 | T | 36.6 | Very low | 44.3 | Very low | 110 Ų | 110 | 112.6 Ų | 112.6 | 68% | 0.675 | 60% | 0.602 | S | S | * | * | trans | -126.1 | 58.4 | 140.5 | 41.3 | 0 | 0 | 0 | 0 | 107.8 | A521 | T519-A521 PolarHBondContact O-N 3.42Š| ||
| 520 | M | 37.5 | Very low | 46.6 | Very low | 95 Ų | 95 | 105 Ų | 105 | 47% | 0.468 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -80.8 | -10.3 | -158.9 | -75 | -87.6 | 170.9 | 0 | 0 | 116.9 | L517 I518 K524 | L517-M520 HydrophobicContact CB-CE 4.38Å; L517-M520 HydrophobicContact CD2-CE 3.58Å; I518-M520 HydrophobicContact CG1-CG 4.45Å; M520-K524 WeakPolarHBondContact O-CB 3.43Å; M520-K524 PolarHBondContact O-N 2.95Å; M520-K524 VanDerWaalsContact O-N 3.16Å |
| 521 | A | 42.8 | Very low | 48.9 | Very low | 80 Ų | 80 | 97.2 Ų | 97.2 | 66% | 0.661 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -76.7 | -49.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | T519 | T519-A521 PolarHBondContact O-N 3.42Å |
| 522 | E | 50.1 | Low | 51.4 | Low | 138 Ų | 138 | 89.8 Ų | 89.8 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.3 | -41.8 | 175.4 | -66.4 | -176.1 | 163.8 | 0 | 0 | 110.7 | K485 K524 Q525 T526 | K485-E522 IonicContact NZ-OE2 2.64Å; E522-K524 VanDerWaalsContact C-N 3.33Å; E522-K524 PolarHBondContact O-N 2.97Å; E522-Q525 PolarHBondContact O-N 3.39Å; E522-T526 PolarHBondContact O-N 3.22Å; E522-T526 PolarHBondContact O-OG1 2.9Å; E522-T526 VanDerWaalsContact O-OG1 3.1Å |
| 523 | D | 62.4 | Low | 53.6 | Low | 40 Ų | 40 | 89 Ų | 89 | 21% | 0.214 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -63.6 | -35.4 | -177.6 | -67.8 | -14 | 0 | 0 | 0 | 112.8 | K485 T526 L527 | K485-D523 IonicContact NZ-OD1 3.74Å; D523-T526 VanDerWaalsContact CA-OG1 3.3Å; D523-T526 WeakPolarHBondContact CA-OG1 3.5Å; D523-T526 PolarHBondContact O-OG1 3.35Å; D523-L527 WeakPolarHBondContact O-CB 3.27Å; D523-L527 PolarHBondContact O-N 2.91Å |
| 524 | K | 69.7 | Low | 55.5 | Low | 132 Ų | 132 | 82.4 Ų | 82.4 | 57% | 0.574 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.9 | -47.9 | 179.5 | -176.6 | 179.3 | 173.5 | -173 | 0 | 111.8 | M520 E522 T526 L527 E528 | M520-K524 WeakPolarHBondContact O-CB 3.43Å; M520-K524 PolarHBondContact O-N 2.95Å; M520-K524 VanDerWaalsContact O-N 3.16Å; E522-K524 VanDerWaalsContact C-N 3.33Å; E522-K524 PolarHBondContact O-N 2.97Å; K524-T526 VanDerWaalsContact C-N 3.32Å; K524-T526 PolarHBondContact O-N 2.74Å; K524-L527 PolarHBondContact O-N 2.8Å; K524-E528 WeakPolarHBondContact CE-OE1 3.14Å; K524-E528 HydrophobicContact CG-CG 4.48Å; K524-E528 IonicContact NZ-OE1 3.88Å; K524-E528 WeakPolarHBondContact O-CB 3.39Å; K524-E528 VanDerWaalsContact O-CG 3.29Å; K524-E528 WeakPolarHBondContact O-CG 3.38Å; K524-E528 PolarHBondContact O-N 2.88Å |
| 525 | Q | 70.5 | Confident | 57.4 | Low | 144 Ų | 144 | 79.1 Ų | 79.1 | 67% | 0.673 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 180 | -68.7 | -175.9 | -2.6 | 0 | 0 | 111.3 | E522 E528 S529 | E522-Q525 PolarHBondContact O-N 3.39Å; Q525-E528 PolarHBondContact O-N 3.36Å; Q525-S529 WeakPolarHBondContact O-CB 3.33Å; Q525-S529 PolarHBondContact O-N 2.75Å |
| 526 | T | 67 | Low | 59.2 | Low | 49 Ų | 49 | 73.7 Ų | 73.7 | 30% | 0.301 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 175 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | V482 E522 D523 K524 E528 S529 V530 | V482-T526 HydrophobicContact CG2-CG2 4.31Å; V482-T526 WeakPolarHBondContact CG2-OG1 3.39Å; E522-T526 PolarHBondContact O-N 3.22Å; E522-T526 PolarHBondContact O-OG1 2.9Å; E522-T526 VanDerWaalsContact O-OG1 3.1Å; D523-T526 VanDerWaalsContact CA-OG1 3.3Å; D523-T526 WeakPolarHBondContact CA-OG1 3.5Å; D523-T526 PolarHBondContact O-OG1 3.35Å; K524-T526 VanDerWaalsContact C-N 3.32Å; K524-T526 PolarHBondContact O-N 2.74Å; T526-E528 VanDerWaalsContact C-N 3.34Å; T526-E528 PolarHBondContact O-N 3.05Å; T526-S529 PolarHBondContact O-N 3.45Å; T526-V530 VanDerWaalsContact O-CG2 3.25Å; T526-V530 WeakPolarHBondContact O-CG2 3.18Å; T526-V530 PolarHBondContact O-N 2.86Å |
| 527 | L | 68.9 | Low | 61.5 | Low | 36 Ų | 36 | 67.7 Ų | 67.7 | 19% | 0.188 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 178 | -177.5 | 68.4 | 0 | 0 | 0 | 111.5 | T434 L438 D523 K524 V530 S531 | T434-L527 HydrophobicContact CG2-CD1 4.17Å; L438-L527 HydrophobicContact CD1-CD1 3.54Å; D523-L527 WeakPolarHBondContact O-CB 3.27Å; D523-L527 PolarHBondContact O-N 2.91Å; K524-L527 PolarHBondContact O-N 2.8Å; L527-V530 PolarHBondContact O-N 3.35Å; L527-S531 WeakPolarHBondContact O-CB 3.33Å; L527-S531 PolarHBondContact O-N 2.88Å |
| 528 | E | 74.8 | Confident | 64 | Low | 30 Ų | 30 | 66.9 Ų | 66.9 | 14% | 0.14 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 173.9 | -74.9 | 178.2 | -172.9 | 0 | 0 | 111.5 | L431 K524 Q525 T526 V530 S531 R532 | L431-E528 HydrophobicContact CD1-CG 4.13Å; L431-E528 HydrophobicContact CD2-CB 4.38Å; L431-E528 HydrophobicContact CD2-CG 3.86Å; K524-E528 WeakPolarHBondContact CE-OE1 3.14Å; K524-E528 HydrophobicContact CG-CG 4.48Å; K524-E528 IonicContact NZ-OE1 3.88Å; K524-E528 WeakPolarHBondContact O-CB 3.39Å; K524-E528 VanDerWaalsContact O-CG 3.29Å; K524-E528 WeakPolarHBondContact O-CG 3.38Å; K524-E528 PolarHBondContact O-N 2.88Å; Q525-E528 PolarHBondContact O-N 3.36Å; T526-E528 VanDerWaalsContact C-N 3.34Å; T526-E528 PolarHBondContact O-N 3.05Å; E528-V530 PolarHBondContact O-N 2.6Å; E528-S531 WeakPolarHBondContact O-CB 3.4Å; E528-S531 PolarHBondContact O-N 3.25Å; E528-R532 WeakPolarHBondContact O-CG 3.41Å; E528-R532 PolarHBondContact O-N 3.42Å; E528-R532 IonicContact OE2-CZ 3.95Å; E528-R532 IonicContact OE2-NH2 2.67Å; E528-R532 PolarHBondContact OE2-NH2 3.19Å |
| 529 | S | 71.8 | Confident | 66.4 | Low | 45 Ų | 45 | 60.2 Ų | 60.2 | 32% | 0.315 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.5 | -43.2 | 175.9 | 175 | 0 | 0 | 0 | 0 | 112 | Q525 T526 S531 R532 H533 | Q525-S529 WeakPolarHBondContact O-CB 3.33Å; Q525-S529 PolarHBondContact O-N 2.75Å; T526-S529 PolarHBondContact O-N 3.45Å; S529-S531 VanDerWaalsContact C-N 3.33Å; S529-S531 PolarHBondContact O-N 3.17Å; S529-R532 PolarHBondContact O-N 3.12Å; S529-H533 PolarHBondContact O-N 2.86Å |
| 530 | V | 70.9 | Confident | 68.8 | Low | 16 Ų | 16 | 59.5 Ų | 59.5 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.6 | 169.1 | 0 | 0 | 0 | 0 | 111 | L479 T526 L527 E528 R532 H533 L534 | L479-V530 HydrophobicContact CD2-CB 4.15Å; L479-V530 HydrophobicContact CD2-CG1 3.64Å; L479-V530 HydrophobicContact CD2-CG2 3.34Å; L479-V530 HydrophobicContact CG-CG2 4.03Å; T526-V530 VanDerWaalsContact O-CG2 3.25Å; T526-V530 WeakPolarHBondContact O-CG2 3.18Å; T526-V530 PolarHBondContact O-N 2.86Å; L527-V530 PolarHBondContact O-N 3.35Å; E528-V530 PolarHBondContact O-N 2.6Å; V530-R532 VanDerWaalsContact C-N 3.28Å; V530-R532 PolarHBondContact O-N 3.22Å; V530-H533 PolarHBondContact O-N 3.34Å; V530-L534 WeakPolarHBondContact O-CB 3.04Å; V530-L534 PolarHBondContact O-N 2.85Å |
| 531 | S | 72.8 | Confident | 71.1 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 176.9 | -165.6 | 0 | 0 | 0 | 0 | 112.1 | T434 L527 E528 S529 F535 | T434-S531 PolarHBondContact OG1-OG 2.82Å; L527-S531 WeakPolarHBondContact O-CB 3.33Å; L527-S531 PolarHBondContact O-N 2.88Å; E528-S531 WeakPolarHBondContact O-CB 3.4Å; E528-S531 PolarHBondContact O-N 3.25Å; S529-S531 VanDerWaalsContact C-N 3.33Å; S529-S531 PolarHBondContact O-N 3.17Å; S531-F535 WeakPolarHBondContact O-CB 3.43Å; S531-F535 PolarHBondContact O-N 2.86Å |
| 532 | R | 77.4 | Confident | 73.1 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.9 | -45.5 | 177.3 | -68.3 | 176.2 | -162.5 | 107.9 | 8.2 | 111.4 | P271 P272 R286 D413 Y429 E528 S529 V530 | P271-R532 PolarHBondContact O-NH1 2.93Å; P272-R532 HydrophobicContact CG-CB 4.27Å; R286-R532 VanDerWaalsContact CZ-O 3.3Å; R286-R532 PolarHBondContact NH1-O 2.87Å; R286-R532 PolarHBondContact NH2-O 2.97Å; R286-R532 VanDerWaalsContact NH2-O 3.14Å; D413-R532 IonicContact OD1-NH2 3.87Å; D413-R532 IonicContact OD2-CZ 2.72Å; D413-R532 IonicContact OD2-NE 3.83Å; D413-R532 IonicContact OD2-NH2 2.91Å; D413-R532 PolarHBondContact OD2-NH2 2.99Å; Y429-R532 HydrophobicContact CD2-CG 4.11Å; Y429-R532 HydrophobicContact CE1-CB 4.36Å; Y429-R532 HydrophobicContact CE1-CG 4.31Å; Y429-R532 HydrophobicContact CE2-CG 3.8Å; Y429-R532 HydrophobicContact CG-CG 4.48Å; E528-R532 WeakPolarHBondContact O-CG 3.41Å; E528-R532 PolarHBondContact O-N 3.42Å; E528-R532 IonicContact OE2-CZ 3.95Å; E528-R532 IonicContact OE2-NH2 2.67Å; E528-R532 PolarHBondContact OE2-NH2 3.19Å; S529-R532 PolarHBondContact O-N 3.12Å; V530-R532 VanDerWaalsContact C-N 3.28Å; V530-R532 PolarHBondContact O-N 3.22Å |
| 533 | H | 71.8 | Confident | 74.9 | Confident | 104 Ų | 104 | 48.4 Ų | 48.4 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -70.1 | -49.6 | -176.9 | -167.4 | 66 | 0 | 0 | 0 | 112.2 | R286 E288 S529 V530 | R286-H533 PolarHBondContact NH2-O 2.98Å; R286-H533 VanDerWaalsContact NH2-O 3.09Å; E288-H533 VanDerWaalsContact CD-ND1 3.31Å; E288-H533 IonicContact OE1-CE1 3.69Å; E288-H533 PolarHBondContact OE1-CE1 3.26Å; E288-H533 VanDerWaalsContact OE1-CE1 3.29Å; E288-H533 IonicContact OE1-CG 3.6Å; E288-H533 IonicContact OE1-ND1 2.63Å; E288-H533 PolarHBondContact OE1-ND1 2.96Å; E288-H533 IonicContact OE2-CE1 2.8Å; E288-H533 IonicContact OE2-ND1 3.94Å; E288-H533 PolarHBondContact OE2-ND1 2.91Å; S529-H533 PolarHBondContact O-N 2.86Å; V530-H533 PolarHBondContact O-N 3.34Å |
| 534 | L | 66.4 | Low | 76 | Confident | 43 Ų | 43 | 47.1 Ų | 47.1 | 23% | 0.225 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -93.2 | -32.6 | -167 | -167.5 | 63.3 | 0 | 0 | 0 | 113.9 | F469 V530 | F469-L534 HydrophobicContact CE1-CD1 3.69Å; F469-L534 HydrophobicContact CE1-CD2 3.98Å; F469-L534 HydrophobicContact CE1-CG 4.03Å; F469-L534 HydrophobicContact CZ-CD1 3.96Å; V530-L534 WeakPolarHBondContact O-CB 3.04Å; V530-L534 PolarHBondContact O-N 2.85Å |
| 535 | F | 65.6 | Low | 76.7 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 19% | 0.193 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -106.4 | 133.8 | -175.5 | -62.8 | -92.2 | 0 | 0 | 0 | 110.6 | T434 F437 S531 | T434-F535 HydrophobicContact CG2-CD2 3.68Å; T434-F535 HydrophobicContact CG2-CE2 3.39Å; T434-F535 HydrophobicContact CG2-CZ 4.13Å; T434-F535 WeakPolarHBondContact OG1-CD2 3.23Å; F437-F535 HydrophobicContact CB-CE1 4.15Å; F437-F535 HydrophobicContact CB-CZ 3.98Å; F437-F535 HydrophobicContact CD1-CE1 4.15Å; F437-F535 AromaticContact CD1-CZ 3.53Å; F437-F535 HydrophobicContact CD1-CZ 3.53Å; F437-F535 HydrophobicContact CE1-CZ 4.16Å; F437-F535 HydrophobicContact CG-CE1 4.04Å; F437-F535 AromaticContact CG-CZ 3.83Å; F437-F535 HydrophobicContact CG-CZ 3.83Å; S531-F535 WeakPolarHBondContact O-CB 3.43Å; S531-F535 PolarHBondContact O-N 2.86Å |
| 536 | G | 69.7 | Low | 77.3 | Confident | 33 Ų | 33 | 37 Ų | 37 | 34% | 0.34 | 19% | 0.186 | S | C | . | . | trans | -68.5 | 166.6 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | E302 | E302-G536 WeakPolarHBondContact OE2-CA 3.27Š| ||
| 537 | M | 82.4 | Confident | 78 | Confident | 5 Ų | 5 | 42 Ų | 42 | 3% | 0.025 | 20% | 0.204 | C | C | . | . | trans | -77.8 | 146.6 | 176.5 | -60.2 | -169.3 | 78.8 | 0 | 0 | 111.2 | F276 E302 V415 L427 Y429 | F276-M537 HydrophobicContact CE1-SD 3.62Å; F276-M537 HydrophobicContact CZ-SD 3.76Å; E302-M537 PolarHBondContact OE2-N 2.77Å; V415-M537 HydrophobicContact CB-CE 3.82Å; V415-M537 HydrophobicContact CB-SD 4.1Å; V415-M537 HydrophobicContact CG2-CE 3.59Å; V415-M537 HydrophobicContact CG2-SD 3.59Å; V415-M537 VanDerWaalsContact CG2-SD 3.59Å; L427-M537 HydrophobicContact CB-CB 4.18Å; L427-M537 HydrophobicContact CB-CE 3.79Å; L427-M537 HydrophobicContact CB-SD 4.32Å; L427-M537 WeakPolarHBondContact O-CE 3.1Å; Y429-M537 HydrophobicContact CD1-CG 4.2Å; Y429-M537 HydrophobicContact CE1-CG 3.7Å; Y429-M537 HydrophobicContact CE2-CE 4.23Å; Y429-M537 HydrophobicContact CE2-CG 4.42Å | ||
| 538 | K | 81.8 | Confident | 78.6 | Confident | 104 Ų | 104 | 42.2 Ų | 42.2 | 45% | 0.452 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 148 | 172.1 | -69.4 | -175.9 | -176.9 | 171.9 | 0 | 111.3 | L427 G428 D430 R540 | L427-K538 CarbonylContact C-O 3.48Å; L427-K538 WeakPolarHBondContact CA-O 3.42Å; G428-K538 PolarHBondContact N-O 2.86Å; G428-K538 PolarHBondContact O-N 3.03Å; G428-K538 VanDerWaalsContact O-N 3.07Å; D430-K538 HydrophobicContact CB-CD 4.38Å; D430-K538 IonicContact OD2-NZ 3.98Å; K538-R540 PolarHBondContact O-N 3.5Å |
| 539 | C | 84.1 | Confident | 79.1 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.041 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 116.9 | 168.1 | -169.2 | 0 | 0 | 0 | 0 | 110.5 | S307 I308 K311 L427 Y541 | S307-C539 WeakPolarHBondContact OG-CB 3.46Å; S307-C539 PolarHBondContact OG-N 3.22Å; S307-C539 VanDerWaalsContact OG-N 3.09Å; I308-C539 HydrophobicContact CG1-CB 4.08Å; K311-C539 HydrophobicContact CG-CB 4.18Å; K311-C539 WeakPolarHBondContact CG-O 3.45Å; L427-C539 HydrophobicContact CD2-CB 4.05Å; C539-Y541 PolarHBondContact SG-O 2.79Å |
| 540 | R | 85.4 | Confident | 79.9 | Confident | 95 Ų | 95 | 38.7 Ų | 38.7 | 36% | 0.358 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | -47.8 | 174.1 | -72.8 | -169.2 | 170.6 | -153.5 | 5.1 | 111.3 | V426 Y429 K538 | V426-R540 PolarHBondContact O-N 3.33Å; Y429-R540 PolarHBondContact O-NH2 3.15Å; K538-R540 PolarHBondContact O-N 3.5Å |
| 541 | Y | 86 | Confident | 80.7 | Confident | 66 Ų | 66 | 38.8 Ų | 38.8 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 144.6 | -177.7 | -51.5 | -65.3 | 0 | 0 | 0 | 111.2 | F414 V426 C539 L582 K583 | F414-Y541 HydrophobicContact CE2-CE2 4.41Å; V426-Y541 HydrophobicContact CB-CD2 4.19Å; V426-Y541 HydrophobicContact CG1-CD2 4.17Å; V426-Y541 PolarHBondContact N-O 2.92Å; V426-Y541 PolarHBondContact O-N 3.49Å; C539-Y541 PolarHBondContact SG-O 2.79Å; Y541-L582 WeakPolarHBondContact CE2-O 3.39Å; Y541-K583 PolarHBondContact OH-O 3.28Å |
| 542 | V | 85.5 | Confident | 81.6 | Confident | 12 Ų | 12 | 38.8 Ų | 38.8 | 7% | 0.073 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115.9 | 170.5 | -175.5 | 0 | 0 | 0 | 0 | 106.9 | K311 L312 V423 Y425 V544 | K311-V542 HydrophobicContact CB-CG2 3.55Å; L312-V542 HydrophobicContact CD1-CG1 3.91Å; V423-V542 HydrophobicContact CG1-CG1 3.37Å; Y425-V542 HydrophobicContact CD1-CG1 4.23Å; Y425-V542 HydrophobicContact CD1-CG2 4.09Å; Y425-V542 HydrophobicContact CE1-CG1 3.89Å; Y425-V542 HydrophobicContact CE1-CG2 4.21Å; V542-V544 HydrophobicContact CG1-CG2 3.54Å |
| 543 | L | 87.9 | Confident | 82.5 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 98.4 | -176.1 | -50.5 | -179.7 | 0 | 0 | 0 | 108.4 | V424 V426 L568 W580 G585 | V424-L543 HydrophobicContact CB-CB 4.11Å; V424-L543 HydrophobicContact CB-CD1 4.36Å; V424-L543 HydrophobicContact CG1-CD1 4.26Å; V424-L543 PolarHBondContact N-O 3.37Å; V424-L543 VanDerWaalsContact N-O 3.1Å; V424-L543 WeakPolarHBondContact O-CB 3.35Å; V424-L543 PolarHBondContact O-N 3.47Å; V426-L543 HydrophobicContact CG2-CD1 3.97Å; V426-L543 HydrophobicContact CG2-CG 4.31Å; L543-L568 HydrophobicContact CD1-CD2 3.94Å; L543-W580 HydrophobicContact CB-CD2 4.14Å; L543-W580 HydrophobicContact CB-CE3 3.99Å; L543-W580 HydrophobicContact CB-CH2 3.61Å; L543-W580 HydrophobicContact CB-CZ2 3.82Å; L543-W580 HydrophobicContact CB-CZ3 3.73Å; L543-W580 HydrophobicContact CD1-CB 4.29Å; L543-W580 HydrophobicContact CD1-CD2 3.93Å; L543-W580 HydrophobicContact CD1-CE3 4.18Å; L543-W580 HydrophobicContact CD1-CG 3.98Å; L543-W580 HydrophobicContact CD2-CD2 4.31Å; L543-W580 HydrophobicContact CD2-CE3 3.71Å; L543-W580 HydrophobicContact CD2-CZ3 3.91Å; L543-W580 HydrophobicContact CG-CD2 4.35Å; L543-W580 HydrophobicContact CG-CE3 4.16Å; L543-W580 HydrophobicContact CG-CZ3 4.31Å; L543-G585 WeakPolarHBondContact CD2-O 3.26Å |
| 544 | V | 85.2 | Confident | 83.6 | Confident | 13 Ų | 13 | 34.8 Ų | 34.8 | 8% | 0.079 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 96.9 | -174.8 | -171.8 | 0 | 0 | 0 | 0 | 110.3 | L312 W315 L395 V423 V542 | L312-V544 HydrophobicContact CD1-CG2 4.09Å; W315-V544 HydrophobicContact CD2-CG2 4.26Å; W315-V544 HydrophobicContact CE3-CG2 4.28Å; W315-V544 HydrophobicContact CH2-CB 3.69Å; W315-V544 HydrophobicContact CH2-CG1 3.76Å; W315-V544 HydrophobicContact CH2-CG2 4.3Å; W315-V544 HydrophobicContact CZ2-CB 3.61Å; W315-V544 HydrophobicContact CZ2-CG1 4.19Å; W315-V544 HydrophobicContact CZ2-CG2 4.26Å; W315-V544 HydrophobicContact CZ3-CB 4.15Å; W315-V544 HydrophobicContact CZ3-CG1 4.15Å; W315-V544 HydrophobicContact CZ3-CG2 4.31Å; L395-V544 HydrophobicContact CD2-CG1 4.18Å; V423-V544 HydrophobicContact CG1-CG2 3.99Å; V423-V544 HydrophobicContact CG2-CG1 4.44Å; V423-V544 HydrophobicContact CG2-CG2 4.13Å; V542-V544 HydrophobicContact CG1-CG2 3.54Å |
| 545 | E | 83.7 | Confident | 84.9 | Confident | 54 Ų | 54 | 35 Ų | 35 | 25% | 0.252 | 17% | 0.168 | S | C | . | . | trans | -149.5 | -14.4 | 176.1 | -77.5 | -61.3 | 157.1 | 0 | 0 | 113.9 | K319 W580 L587 K590 | K319-E545 IonicContact NZ-OE1 3.14Å; E545-W580 HydrophobicContact CB-CH2 3.53Å; E545-W580 HydrophobicContact CB-CZ2 3.7Å; E545-W580 HydrophobicContact CG-CH2 3.33Å; E545-W580 HydrophobicContact CG-CZ2 4Å; E545-W580 HydrophobicContact CG-CZ3 4.08Å; E545-L587 HydrophobicContact CG-CD1 4.27Å; E545-L587 HydrophobicContact CG-CD2 3.95Å; E545-L587 HydrophobicContact CG-CG 4.49Å; E545-K590 PolarHBondContact O-NZ 2.89Å; E545-K590 WeakPolarHBondContact OE2-CE 3.22Å; E545-K590 IonicContact OE2-NZ 2.76Å; E545-K590 PolarHBondContact OE2-NZ 2.87Å | ||
| 546 | H | 84.6 | Confident | 86.1 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 4% | 0.037 | 16% | 0.16 | C | C | . | . | trans | -79.9 | 149.1 | 173.3 | -71.6 | -77.4 | 0 | 0 | 0 | 110.9 | G422 V550 T570 D574 C576 C578 | G422-H546 WeakPolarHBondContact O-CB 3.4Å; H546-V550 HydrophobicContact CB-CG2 3.78Å; H546-T570 PolarHBondContact CE1-O 2.65Å; H546-T570 WeakPolarHBondContact NE2-CB 3.16Å; H546-T570 PolarHBondContact NE2-O 3.38Å; H546-T570 PolarHBondContact NE2-OG1 2.99Å; H546-D574 WeakPolarHBondContact CA-OD2 3.31Å; H546-D574 VanDerWaalsContact CB-OD2 3.3Å; H546-D574 WeakPolarHBondContact CB-OD2 3.3Å; H546-D574 IonicContact CE1-OD1 3.76Å; H546-D574 IonicContact CE1-OD2 2.88Å; H546-D574 IonicContact CG-OD2 2.7Å; H546-D574 VanDerWaalsContact ND1-CG 3.27Å; H546-D574 IonicContact ND1-OD1 3.17Å; H546-D574 PolarHBondContact ND1-OD1 2.8Å; H546-D574 VanDerWaalsContact ND1-OD1 3.12Å; H546-D574 IonicContact ND1-OD2 3.29Å; H546-D574 PolarHBondContact ND1-OD2 2.87Å; H546-C576 PolarHBondContact CE1-O 2.84Å; H546-C578 VanDerWaalsContact CE1-SG 3.51Å | ||
| 547 | K | 81.7 | Confident | 86.9 | Confident | 156 Ų | 156 | 33.8 Ų | 33.8 | 68% | 0.678 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -101.6 | -4.2 | -179.6 | -64.4 | -176.6 | 177.6 | -176.4 | 0 | 113.4 | D574 | K547-D574 HydrophobicContact CB-CB 4.32Å; K547-D574 PolarHBondContact N-OD2 2.84Å |
| 548 | D | 80.8 | Confident | 86.9 | Confident | 39 Ų | 39 | 35.2 Ų | 35.2 | 21% | 0.209 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -150.5 | 178.1 | -174.8 | -147 | -42.1 | 0 | 0 | 0 | 109 | R399 G422 V550 W573 D574 | R399-D548 IonicContact CZ-OD1 3.71Å; R399-D548 IonicContact NH1-OD1 2.74Å; R399-D548 PolarHBondContact NH1-OD1 3.41Å; R399-D548 IonicContact NH2-OD1 3.82Å; R399-D548 PolarHBondContact NH2-OD1 3.24Å; R399-D548 IonicContact NH2-OD2 2.66Å; R399-D548 PolarHBondContact NH2-OD2 2.93Å; G422-D548 WeakPolarHBondContact CA-O 3.04Å; D548-V550 PolarHBondContact O-N 2.66Å; D548-W573 HydrophobicContact CB-CB 3.89Å; D548-D574 HydrophobicContact CB-CB 3.75Å |
| 549 | S | 85.3 | Confident | 86.7 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.007 | 17% | 0.17 | C | C | . | . | trans | -59.4 | 133.9 | -171.4 | -54.1 | 0 | 0 | 0 | 0 | 111.3 | R399 E420 G572 W573 | R399-S549 PolarHBondContact NH1-OG 3.45Å; E420-S549 WeakPolarHBondContact CG-OG 3.49Å; E420-S549 PolarHBondContact O-OG 2.95Å; S549-G572 WeakPolarHBondContact O-CA 3.47Å; S549-W573 PolarHBondContact O-N 3.43Å | ||
| 550 | V | 89.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.8 | 177.1 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | A418 C419 V424 H546 D548 S571 | A418-V550 HydrophobicContact CB-CB 3.84Å; A418-V550 HydrophobicContact CB-CG1 3.66Å; A418-V550 WeakPolarHBondContact CB-O 3.31Å; C419-V550 PolarHBondContact O-N 3.2Å; C419-V550 VanDerWaalsContact O-N 3.14Å; V424-V550 HydrophobicContact CG2-CB 4.14Å; V424-V550 HydrophobicContact CG2-CG1 3.77Å; V424-V550 HydrophobicContact CG2-CG2 4.03Å; H546-V550 HydrophobicContact CB-CG2 3.78Å; D548-V550 PolarHBondContact O-N 2.66Å; V550-S571 WeakPolarHBondContact CG1-O 3.48Å |
| 551 | T | 88 | Confident | 85 | Confident | 19 Ų | 19 | 47.1 Ų | 47.1 | 12% | 0.117 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | -20.1 | -175.2 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | L404 K405 S571 G572 I610 | L404-T551 HydrophobicContact CD1-CG2 4.2Å; K405-T551 WeakPolarHBondContact CB-O 3.29Å; T551-S571 PolarHBondContact N-O 2.92Å; T551-S571 PolarHBondContact OG1-O 2.8Å; T551-G572 VanDerWaalsContact OG1-CA 3.32Å; T551-G572 WeakPolarHBondContact OG1-CA 3.49Å; T551-I610 PolarHBondContact OG1-O 3.5Å |
| 552 | C | 91.5 | Very high | 83.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.6 | -172.1 | -47.4 | 0 | 0 | 0 | 0 | 110.6 | T570 S571 L611 D612 M613 | C552-T570 WeakPolarHBondContact O-CA 3.5Å; C552-S571 WeakPolarHBondContact CB-OG 3.45Å; C552-S571 PolarHBondContact N-O 3.34Å; C552-S571 PolarHBondContact O-N 2.81Å; C552-S571 PolarHBondContact SG-OG 2.91Å; C552-L611 PolarHBondContact SG-O 3.13Å; C552-L611 VanDerWaalsContact SG-O 3.41Å; C552-D612 VanDerWaalsContact SG-CA 3.55Å; C552-D612 PolarHBondContact SG-N 3.11Å; C552-M613 HydrophobicContact CB-CB 4.45Å; C552-M613 HydrophobicContact CB-CG 3.85Å; C552-M613 HydrophobicContact CB-SD 4.02Å |
| 553 | L | 95.1 | Very high | 83.3 | Confident | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 123.7 | 171.7 | -65.1 | 174.8 | 0 | 0 | 0 | 107.6 | K405 I407 V416 A418 V424 L568 T570 | K405-L553 HydrophobicContact CB-CD1 4.28Å; K405-L553 HydrophobicContact CB-CG 4.42Å; K405-L553 HydrophobicContact CG-CB 4.39Å; K405-L553 HydrophobicContact CG-CD1 4.31Å; K405-L553 HydrophobicContact CG-CG 4.35Å; K405-L553 WeakPolarHBondContact O-CD1 3.41Å; I407-L553 HydrophobicContact CD1-CB 3.95Å; I407-L553 HydrophobicContact CG1-CB 4.15Å; I407-L553 HydrophobicContact CG1-CD1 4.17Å; I407-L553 HydrophobicContact CG2-CB 4.08Å; V416-L553 HydrophobicContact CB-CD1 4.38Å; V416-L553 HydrophobicContact CG1-CD1 3.97Å; V416-L553 HydrophobicContact CG1-CD2 3.92Å; V416-L553 VanDerWaalsContact O-CD1 3.28Å; V416-L553 WeakPolarHBondContact O-CD1 3.29Å; A418-L553 HydrophobicContact CB-CD1 3.82Å; A418-L553 HydrophobicContact CB-CD2 3.9Å; A418-L553 HydrophobicContact CB-CG 3.78Å; V424-L553 HydrophobicContact CG1-CD2 3.87Å; V424-L553 HydrophobicContact CG2-CD2 4.3Å; L553-L568 HydrophobicContact CB-CD1 4.42Å; L553-L568 HydrophobicContact CD2-CD1 4.28Å; L553-L568 HydrophobicContact CD2-CD2 4.34Å; L553-T570 HydrophobicContact CD2-CG2 3.74Å |
| 554 | L | 94.6 | Very high | 83 | Confident | 22 Ų | 22 | 57.2 Ų | 57.2 | 12% | 0.115 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 116.9 | 178.6 | 173.3 | 65.9 | 0 | 0 | 0 | 109.2 | I556 L569 M613 F622 | L554-I556 HydrophobicContact CD2-CD1 4.29Å; L554-I556 HydrophobicContact CD2-CG1 4.48Å; L554-I556 HydrophobicContact CG-CG1 4.21Å; L554-L569 HydrophobicContact CB-CB 4.14Å; L554-L569 HydrophobicContact CD2-CD1 3.99Å; L554-L569 PolarHBondContact N-O 2.74Å; L554-L569 PolarHBondContact O-N 3.22Å; L554-M613 HydrophobicContact CB-CB 4.17Å; L554-M613 HydrophobicContact CD2-CB 4.06Å; L554-F622 HydrophobicContact CD2-CB 4.32Å |
| 555 | N | 93.8 | Very high | 83.1 | Confident | 46 Ų | 46 | 59.3 Ų | 59.3 | 25% | 0.246 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.4 | 175.1 | 179.8 | 34.3 | 0 | 0 | 0 | 109.7 | I407 I409 I567 | I407-N555 HydrophobicContact CD1-CB 4.11Å; I409-N555 HydrophobicContact CD1-CB 4.26Å; N555-I567 PolarHBondContact OD1-O 3.06Å |
| 556 | I | 91.4 | Very high | 83.4 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.5 | 175.8 | -62.1 | 177.6 | 0 | 0 | 0 | 108 | L554 Y558 I567 L569 Y615 F636 | L554-I556 HydrophobicContact CD2-CD1 4.29Å; L554-I556 HydrophobicContact CD2-CG1 4.48Å; L554-I556 HydrophobicContact CG-CG1 4.21Å; I556-Y558 PolarHBondContact O-N 2.86Å; I556-I567 HydrophobicContact CB-CB 4.4Å; I556-I567 PolarHBondContact N-O 2.83Å; I556-I567 PolarHBondContact O-N 2.66Å; I556-L569 HydrophobicContact CD1-CD1 3.51Å; I556-L569 HydrophobicContact CD1-CG 4.08Å; I556-Y615 HydrophobicContact CD1-CD2 3.91Å; I556-Y615 HydrophobicContact CD1-CE2 4.11Å; I556-Y615 HydrophobicContact CD1-CG 4.14Å; I556-Y615 HydrophobicContact CG1-CD1 4.13Å; I556-Y615 HydrophobicContact CG1-CD2 4.37Å; I556-Y615 HydrophobicContact CG1-CE1 4.4Å; I556-Y615 HydrophobicContact CG1-CG 4.11Å; I556-Y615 HydrophobicContact CG2-CD1 4.43Å; I556-Y615 HydrophobicContact CG2-CE1 3.9Å; I556-F636 HydrophobicContact CD1-CD1 4.43Å; I556-F636 HydrophobicContact CD1-CD2 3.66Å; I556-F636 HydrophobicContact CD1-CE1 4.4Å; I556-F636 HydrophobicContact CD1-CE2 3.62Å; I556-F636 HydrophobicContact CD1-CG 4.08Å; I556-F636 HydrophobicContact CD1-CZ 4.01Å; I556-F636 HydrophobicContact CG2-CE1 4.16Å; I556-F636 HydrophobicContact CG2-CZ 4.41Å |
| 557 | N | 86.9 | Confident | 83.8 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 94.9 | 169 | -172.3 | -8.7 | 0 | 0 | 0 | 109 | K559 H564 W566 | N557-K559 WeakPolarHBondContact ND2-CE 3.3Å; N557-K559 PolarHBondContact O-N 3.09Å; N557-H564 PolarHBondContact OD1-CE1 3.24Å; N557-H564 PolarHBondContact OD1-NE2 3.09Å; N557-W566 HydrophobicContact CB-CH2 4.4Å; N557-W566 HydrophobicContact CB-CZ3 4.21Å; N557-W566 WeakPolarHBondContact ND2-CH2 3.2Å |
| 558 | Y | 81.4 | Confident | 84.4 | Confident | 34 Ų | 34 | 49.7 Ų | 49.7 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 113.2 | -177 | -174.4 | -101.4 | 0 | 0 | 0 | 110.5 | I556 M560 Q565 I567 F636 L638 | I556-Y558 PolarHBondContact O-N 2.86Å; Y558-M560 HydrophobicContact CE1-CB 3.84Å; Y558-M560 HydrophobicContact CE1-CG 3.77Å; Y558-M560 HydrophobicContact CE1-SD 4.43Å; Y558-M560 HydrophobicContact CE2-CG 4.04Å; Y558-M560 HydrophobicContact CE2-SD 4.43Å; Y558-M560 VanDerWaalsContact CZ-CG 3.48Å; Y558-M560 WeakPolarHBondContact OH-CG 3.44Å; Y558-M560 PolarHBondContact OH-SD 3.01Å; Y558-Q565 PolarHBondContact N-O 2.93Å; Y558-Q565 PolarHBondContact O-N 3.21Å; Y558-I567 HydrophobicContact CD1-CD1 4.3Å; Y558-I567 HydrophobicContact CD2-CD1 4.37Å; Y558-I567 HydrophobicContact CG-CD1 3.8Å; Y558-F636 HydrophobicContact CD2-CD1 4.25Å; Y558-F636 AromaticContact CD2-CE1 3.71Å; Y558-F636 HydrophobicContact CD2-CE1 3.71Å; Y558-F636 HydrophobicContact CE2-CD1 4.4Å; Y558-F636 HydrophobicContact CE2-CE1 4.09Å; Y558-F636 HydrophobicContact CG-CE1 4.5Å; Y558-L638 HydrophobicContact CD1-CD1 4.11Å; Y558-L638 HydrophobicContact CE1-CD1 3.58Å; Y558-L638 HydrophobicContact CE1-CG 4.34Å |
| 559 | K | 78.3 | Confident | 85.1 | Confident | 145 Ų | 145 | 47.9 Ų | 47.9 | 63% | 0.63 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 97.2 | 178.8 | -60.5 | -178.7 | -176.8 | 176.6 | 0 | 108.7 | N557 | N557-K559 WeakPolarHBondContact ND2-CE 3.3Å; N557-K559 PolarHBondContact O-N 3.09Å |
| 560 | M | 74.2 | Confident | 85.6 | Confident | 113 Ų | 113 | 47.8 Ų | 47.8 | 56% | 0.557 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 106.3 | 164.7 | -78.5 | -149.7 | 86.7 | 0 | 0 | 107.5 | Y558 P562 I563 | Y558-M560 HydrophobicContact CE1-CB 3.84Å; Y558-M560 HydrophobicContact CE1-CG 3.77Å; Y558-M560 HydrophobicContact CE1-SD 4.43Å; Y558-M560 HydrophobicContact CE2-CG 4.04Å; Y558-M560 HydrophobicContact CE2-SD 4.43Å; Y558-M560 VanDerWaalsContact CZ-CG 3.48Å; Y558-M560 WeakPolarHBondContact OH-CG 3.44Å; Y558-M560 PolarHBondContact OH-SD 3.01Å; M560-P562 CarbonylContact O-C 3.47Å; M560-I563 CarbonylContact C-O 3.57Å; M560-I563 PolarHBondContact N-O 3.05Å; M560-I563 CarbonylContact O-C 3.59Å; M560-I563 VanDerWaalsContact O-CA 3.3Å; M560-I563 WeakPolarHBondContact O-CA 3.28Å; M560-I563 WeakPolarHBondContact O-CB 3.45Å; M560-I563 PolarHBondContact O-N 3.2Å |
| 561 | H | 59.5 | Low | 85.7 | Confident | 197 Ų | 197 | 47.8 Ų | 47.8 | 91% | 0.912 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.7 | 127.7 | -178.4 | -76.1 | -66.2 | 0 | 0 | 0 | 111.2 | ||
| 562 | P | 61.7 | Low | 85.8 | Confident | 128 Ų | 128 | 46.9 Ų | 46.9 | 83% | 0.831 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -94.5 | 5.7 | 7.7 | 36.3 | -34.3 | 0 | 0 | 0 | 115.8 | M560 | M560-P562 CarbonylContact O-C 3.47Š|
| 563 | I | 74.9 | Confident | 85.6 | Confident | 79 Ų | 79 | 51.2 Ų | 51.2 | 41% | 0.405 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 116 | -175.3 | -54.9 | 172.3 | 0 | 0 | 0 | 110.9 | M560 Q565 | M560-I563 CarbonylContact C-O 3.57Å; M560-I563 PolarHBondContact N-O 3.05Å; M560-I563 CarbonylContact O-C 3.59Å; M560-I563 VanDerWaalsContact O-CA 3.3Å; M560-I563 WeakPolarHBondContact O-CA 3.28Å; M560-I563 WeakPolarHBondContact O-CB 3.45Å; M560-I563 PolarHBondContact O-N 3.2Å; I563-Q565 HydrophobicContact CG2-CB 4.45Å; I563-Q565 HydrophobicContact CG2-CG 3.65Å |
| 564 | H | 81.1 | Confident | 85.1 | Confident | 85 Ų | 85 | 51.1 Ų | 51.1 | 39% | 0.394 | 25% | 0.248 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.4 | 167.6 | -176.7 | -58.8 | 0 | 0 | 0 | 109.7 | N557 W566 | N557-H564 PolarHBondContact OD1-CE1 3.24Å; N557-H564 PolarHBondContact OD1-NE2 3.09Å; H564-W566 AromaticContact CE1-CE2 3.86Å; H564-W566 AromaticContact CE1-CZ2 3.99Å; H564-W566 AromaticContact CE1-NE1 3.52Å; H564-W566 AromaticContact ND1-NE1 3.91Å |
| 565 | Q | 86.3 | Confident | 84.7 | Confident | 57 Ų | 57 | 53.8 Ų | 53.8 | 27% | 0.266 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.7 | -177.4 | -69.6 | -176.5 | 14 | 0 | 0 | 112.1 | Y558 I563 I567 N581 | Y558-Q565 PolarHBondContact N-O 2.93Å; Y558-Q565 PolarHBondContact O-N 3.21Å; I563-Q565 HydrophobicContact CG2-CB 4.45Å; I563-Q565 HydrophobicContact CG2-CG 3.65Å; Q565-I567 HydrophobicContact CB-CG1 4.4Å; Q565-N581 PolarHBondContact OE1-ND2 2.89Å |
| 566 | W | 90.2 | Very high | 84.5 | Confident | 17 Ų | 17 | 52.8 Ų | 52.8 | 6% | 0.064 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 109.3 | 173 | -66 | 82 | 0 | 0 | 0 | 107.6 | I409 E411 L412 N557 H564 L582 K583 | I409-W566 HydrophobicContact CG2-CE3 4.08Å; I409-W566 HydrophobicContact CG2-CZ3 4.11Å; E411-W566 HydrophobicContact CB-CH2 3.49Å; E411-W566 VanDerWaalsContact CB-CH2 3.49Å; E411-W566 HydrophobicContact CB-CZ2 3.53Å; E411-W566 HydrophobicContact CB-CZ3 4.23Å; E411-W566 HydrophobicContact CG-CH2 3.39Å; E411-W566 HydrophobicContact CG-CZ2 3.81Å; E411-W566 HydrophobicContact CG-CZ3 4.27Å; E411-W566 WeakPolarHBondContact OE1-CH2 3.46Å; E411-W566 WeakPolarHBondContact OE2-CH2 3.24Å; E411-W566 VanDerWaalsContact OE2-CZ3 3.23Å; E411-W566 WeakPolarHBondContact OE2-CZ3 3.21Å; L412-W566 HydrophobicContact CD1-CB 4.03Å; L412-W566 HydrophobicContact CD1-CD2 4.14Å; L412-W566 HydrophobicContact CD1-CG 3.89Å; L412-W566 HydrophobicContact CG-CD2 4.32Å; L412-W566 HydrophobicContact CG-CG 4.42Å; N557-W566 HydrophobicContact CB-CH2 4.4Å; N557-W566 HydrophobicContact CB-CZ3 4.21Å; N557-W566 WeakPolarHBondContact ND2-CH2 3.2Å; H564-W566 AromaticContact CE1-CE2 3.86Å; H564-W566 AromaticContact CE1-CZ2 3.99Å; H564-W566 AromaticContact CE1-NE1 3.52Å; H564-W566 AromaticContact ND1-NE1 3.91Å; W566-L582 HydrophobicContact CB-CB 4Å; W566-L582 HydrophobicContact CB-CD1 4.11Å; W566-L582 WeakPolarHBondContact O-CB 3.49Å; W566-L582 PolarHBondContact O-N 3.14Å; W566-K583 VanDerWaalsContact CD1-CE 3.44Å |
| 567 | I | 93.2 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 132.7 | -175.6 | -56.4 | 173.5 | 0 | 0 | 0 | 108.6 | N555 I556 Y558 Q565 I579 W580 F636 L638 | N555-I567 PolarHBondContact OD1-O 3.06Å; I556-I567 HydrophobicContact CB-CB 4.4Å; I556-I567 PolarHBondContact N-O 2.83Å; I556-I567 PolarHBondContact O-N 2.66Å; Y558-I567 HydrophobicContact CD1-CD1 4.3Å; Y558-I567 HydrophobicContact CD2-CD1 4.37Å; Y558-I567 HydrophobicContact CG-CD1 3.8Å; Q565-I567 HydrophobicContact CB-CG1 4.4Å; I567-I579 HydrophobicContact CG2-CG2 3.49Å; I567-I579 VanDerWaalsContact CG2-CG2 3.49Å; I567-W580 CarbonylContact C-O 3.59Å; I567-W580 VanDerWaalsContact CA-O 3.29Å; I567-W580 WeakPolarHBondContact CA-O 3.34Å; I567-F636 HydrophobicContact CD1-CE1 3.96Å; I567-F636 HydrophobicContact CD1-CZ 3.68Å; I567-F636 HydrophobicContact CG2-CZ 4.09Å; I567-L638 HydrophobicContact CD1-CD2 3.38Å; I567-L638 HydrophobicContact CD1-CG 4.16Å; I567-L638 HydrophobicContact CG1-CD2 4.28Å |
| 568 | L | 95 | Very high | 84.8 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.1 | 168.7 | 179 | 75.4 | 0 | 0 | 0 | 109 | I407 V416 V424 L543 L553 T570 W580 L582 | I407-L568 HydrophobicContact CD1-CD1 3.86Å; V416-L568 HydrophobicContact CG1-CD1 4.24Å; V416-L568 HydrophobicContact CG1-CD2 3.67Å; V424-L568 HydrophobicContact CG1-CD2 4.23Å; L543-L568 HydrophobicContact CD1-CD2 3.94Å; L553-L568 HydrophobicContact CB-CD1 4.42Å; L553-L568 HydrophobicContact CD2-CD1 4.28Å; L553-L568 HydrophobicContact CD2-CD2 4.34Å; L568-T570 HydrophobicContact CD1-CG2 4.45Å; L568-T570 HydrophobicContact CD2-CG2 3.47Å; L568-T570 VanDerWaalsContact CD2-CG2 3.47Å; L568-T570 HydrophobicContact CG-CG2 3.62Å; L568-W580 HydrophobicContact CB-CB 4.25Å; L568-W580 PolarHBondContact N-O 2.91Å; L568-W580 PolarHBondContact O-N 2.83Å; L568-L582 HydrophobicContact CB-CD1 3.93Å; L568-L582 HydrophobicContact CB-CD2 3.7Å; L568-L582 HydrophobicContact CB-CG 3.64Å; L568-L582 HydrophobicContact CD2-CD2 3.98Å; L568-L582 HydrophobicContact CG-CD2 4.32Å |
| 569 | L | 95.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 130.1 | 164.7 | -71.2 | -178 | 0 | 0 | 0 | 109.4 | L554 I556 I577 C578 I579 F622 F636 M643 | L554-L569 HydrophobicContact CB-CB 4.14Å; L554-L569 HydrophobicContact CD2-CD1 3.99Å; L554-L569 PolarHBondContact N-O 2.74Å; L554-L569 PolarHBondContact O-N 3.22Å; I556-L569 HydrophobicContact CD1-CD1 3.51Å; I556-L569 HydrophobicContact CD1-CG 4.08Å; L569-I577 HydrophobicContact CD2-CG2 4.07Å; L569-C578 WeakPolarHBondContact CA-O 3.39Å; L569-I579 HydrophobicContact CD2-CB 4.16Å; L569-I579 HydrophobicContact CD2-CG1 3.72Å; L569-I579 HydrophobicContact CD2-CG2 4.13Å; L569-F622 HydrophobicContact CD1-CD2 4.47Å; L569-F622 HydrophobicContact CD1-CG 4.43Å; L569-F636 HydrophobicContact CD1-CD2 3.92Å; L569-F636 HydrophobicContact CD1-CE2 3.83Å; L569-F636 HydrophobicContact CD2-CE2 3.99Å; L569-F636 HydrophobicContact CG-CE2 4.07Å; L569-M643 HydrophobicContact CD2-CE 4.39Å |
| 570 | T | 95.1 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.2 | 177.2 | 66 | 0 | 0 | 0 | 0 | 110.4 | V424 H546 C552 L553 L568 I577 C578 W580 | V424-T570 HydrophobicContact CG2-CG2 4.09Å; H546-T570 PolarHBondContact CE1-O 2.65Å; H546-T570 WeakPolarHBondContact NE2-CB 3.16Å; H546-T570 PolarHBondContact NE2-O 3.38Å; H546-T570 PolarHBondContact NE2-OG1 2.99Å; C552-T570 WeakPolarHBondContact O-CA 3.5Å; L553-T570 HydrophobicContact CD2-CG2 3.74Å; L568-T570 HydrophobicContact CD1-CG2 4.45Å; L568-T570 HydrophobicContact CD2-CG2 3.47Å; L568-T570 VanDerWaalsContact CD2-CG2 3.47Å; L568-T570 HydrophobicContact CG-CG2 3.62Å; T570-I577 WeakPolarHBondContact O-CA 3.19Å; T570-C578 PolarHBondContact N-O 2.65Å; T570-C578 PolarHBondContact O-N 3.19Å; T570-W580 PolarHBondContact OG1-NE1 3.18Å |
| 571 | S | 93.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 164.9 | 174.6 | 66.5 | 0 | 0 | 0 | 0 | 112 | V550 T551 C552 C576 I610 M613 | V550-S571 WeakPolarHBondContact CG1-O 3.48Å; T551-S571 PolarHBondContact N-O 2.92Å; T551-S571 PolarHBondContact OG1-O 2.8Å; C552-S571 WeakPolarHBondContact CB-OG 3.45Å; C552-S571 PolarHBondContact N-O 3.34Å; C552-S571 PolarHBondContact O-N 2.81Å; C552-S571 PolarHBondContact SG-OG 2.91Å; S571-C576 WeakPolarHBondContact CA-O 3.45Å; S571-C576 VanDerWaalsContact CB-O 3.26Å; S571-C576 WeakPolarHBondContact CB-O 3.3Å; S571-I610 VanDerWaalsContact OG-CG2 3.3Å; S571-I610 WeakPolarHBondContact OG-CG2 3.15Å; S571-M613 WeakPolarHBondContact OG-CE 3.33Å; S571-M613 PolarHBondContact OG-SD 3.29Å; S571-M613 VanDerWaalsContact OG-SD 3.39Å |
| 572 | G | 88.8 | Confident | 88.3 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.5 | -133.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S549 T551 D574 R575 I610 | S549-G572 WeakPolarHBondContact O-CA 3.47Å; T551-G572 VanDerWaalsContact OG1-CA 3.32Å; T551-G572 WeakPolarHBondContact OG1-CA 3.49Å; G572-D574 VanDerWaalsContact C-N 3.26Å; G572-D574 PolarHBondContact O-N 2.99Å; G572-R575 PolarHBondContact O-N 3.41Å; G572-R575 VanDerWaalsContact O-N 3.12Å; G572-I610 PolarHBondContact O-N 2.75Å |
| 573 | W | 87.2 | Confident | 89.5 | Confident | 90 Ų | 90 | 27.7 Ų | 27.7 | 34% | 0.341 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -16.8 | -169.9 | -69.1 | 14.4 | 0 | 0 | 0 | 113.7 | D548 S549 R575 | D548-W573 HydrophobicContact CB-CB 3.89Å; S549-W573 PolarHBondContact O-N 3.43Å; W573-R575 PolarHBondContact O-N 2.88Å |
| 574 | D | 84.2 | Confident | 90.1 | Very high | 7 Ų | 7 | 26.2 Ų | 26.2 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -13.4 | 172.9 | 69.2 | -8.5 | 0 | 0 | 0 | 112.2 | H546 K547 D548 G572 C576 K604 | H546-D574 WeakPolarHBondContact CA-OD2 3.31Å; H546-D574 VanDerWaalsContact CB-OD2 3.3Å; H546-D574 WeakPolarHBondContact CB-OD2 3.3Å; H546-D574 IonicContact CE1-OD1 3.76Å; H546-D574 IonicContact CE1-OD2 2.88Å; H546-D574 IonicContact CG-OD2 2.7Å; H546-D574 VanDerWaalsContact ND1-CG 3.27Å; H546-D574 IonicContact ND1-OD1 3.17Å; H546-D574 PolarHBondContact ND1-OD1 2.8Å; H546-D574 VanDerWaalsContact ND1-OD1 3.12Å; H546-D574 IonicContact ND1-OD2 3.29Å; H546-D574 PolarHBondContact ND1-OD2 2.87Å; K547-D574 HydrophobicContact CB-CB 4.32Å; K547-D574 PolarHBondContact N-OD2 2.84Å; D548-D574 HydrophobicContact CB-CB 3.75Å; G572-D574 VanDerWaalsContact C-N 3.26Å; G572-D574 PolarHBondContact O-N 2.99Å; D574-C576 PolarHBondContact O-N 3.43Å; D574-C576 PolarHBondContact OD1-N 2.92Å; D574-K604 WeakPolarHBondContact O-CD 3.39Å; D574-K604 WeakPolarHBondContact O-CE 3.45Å; D574-K604 PolarHBondContact O-NZ 3.41Å |
| 575 | R | 88.1 | Confident | 90.3 | Very high | 79 Ų | 79 | 23 Ų | 23 | 30% | 0.298 | 11% | 0.111 | S | C | . | . | trans | 65.3 | 25.3 | 179.2 | -47.7 | 175.8 | -95 | 157.7 | 1.4 | 112.5 | G572 W573 K604 A605 S606 K607 G608 | G572-R575 PolarHBondContact O-N 3.41Å; G572-R575 VanDerWaalsContact O-N 3.12Å; W573-R575 PolarHBondContact O-N 2.88Å; R575-K604 HydrophobicContact CB-CB 3.77Å; R575-K604 HydrophobicContact CB-CD 4.02Å; R575-K604 HydrophobicContact CB-CG 4.19Å; R575-K604 HydrophobicContact CG-CD 4.45Å; R575-K604 VanDerWaalsContact NH2-CD 3.35Å; R575-A605 VanDerWaalsContact O-CB 3.26Å; R575-A605 WeakPolarHBondContact O-CB 3.42Å; R575-A605 PolarHBondContact O-N 3.15Å; R575-S606 WeakPolarHBondContact CD-O 3.11Å; R575-K607 WeakPolarHBondContact CD-O 3.18Å; R575-K607 PolarHBondContact NH1-O 3.43Å; R575-G608 WeakPolarHBondContact CD-O 3.45Å; R575-G608 WeakPolarHBondContact CG-O 3.37Å | ||
| 576 | C | 88.2 | Confident | 90.4 | Very high | 24 Ų | 24 | 27.3 Ų | 27.3 | 16% | 0.162 | 13% | 0.129 | C | C | . | . | trans | -104.1 | 149.1 | 173.9 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | H546 S571 D574 | H546-C576 PolarHBondContact CE1-O 2.84Å; S571-C576 WeakPolarHBondContact CA-O 3.45Å; S571-C576 VanDerWaalsContact CB-O 3.26Å; S571-C576 WeakPolarHBondContact CB-O 3.3Å; D574-C576 PolarHBondContact O-N 3.43Å; D574-C576 PolarHBondContact OD1-N 2.92Å | ||
| 577 | I | 92.2 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 118.2 | 170.5 | -52.3 | 177.8 | 0 | 0 | 0 | 106.8 | L569 T570 K590 F591 A605 I610 M613 F622 Y624 | L569-I577 HydrophobicContact CD2-CG2 4.07Å; T570-I577 WeakPolarHBondContact O-CA 3.19Å; I577-K590 WeakPolarHBondContact O-CA 3.39Å; I577-F591 HydrophobicContact CB-CB 4.05Å; I577-F591 HydrophobicContact CD1-CD1 4.09Å; I577-F591 HydrophobicContact CG1-CD1 4.46Å; I577-F591 PolarHBondContact O-N 3.09Å; I577-A605 HydrophobicContact CD1-CB 4.13Å; I577-A605 HydrophobicContact CG1-CB 4.09Å; I577-I610 HydrophobicContact CD1-CD1 4.17Å; I577-I610 HydrophobicContact CG1-CD1 3.82Å; I577-M613 HydrophobicContact CB-CE 4.45Å; I577-M613 HydrophobicContact CD1-CE 3.65Å; I577-M613 HydrophobicContact CG1-CE 3.74Å; I577-M613 HydrophobicContact CG2-CE 4.01Å; I577-F622 HydrophobicContact CD1-CE2 3.87Å; I577-F622 HydrophobicContact CD1-CZ 4.14Å; I577-Y624 HydrophobicContact CD1-CD1 4.15Å; I577-Y624 HydrophobicContact CD1-CE1 3.96Å |
| 578 | C | 92.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 138.9 | 177.4 | -61.6 | 0 | 0 | 0 | 0 | 109.6 | H546 L569 T570 W580 L587 | H546-C578 VanDerWaalsContact CE1-SG 3.51Å; L569-C578 WeakPolarHBondContact CA-O 3.39Å; T570-C578 PolarHBondContact N-O 2.65Å; T570-C578 PolarHBondContact O-N 3.19Å; C578-W580 HydrophobicContact CB-CZ2 3.99Å; C578-W580 VanDerWaalsContact CB-NE1 3.31Å; C578-L587 HydrophobicContact CB-CD1 3.87Å |
| 579 | I | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 123.8 | -179.9 | -44.8 | 173.2 | 0 | 0 | 0 | 108 | I567 L569 I588 D589 L638 M643 | I567-I579 HydrophobicContact CG2-CG2 3.49Å; I567-I579 VanDerWaalsContact CG2-CG2 3.49Å; L569-I579 HydrophobicContact CD2-CB 4.16Å; L569-I579 HydrophobicContact CD2-CG1 3.72Å; L569-I579 HydrophobicContact CD2-CG2 4.13Å; I579-I588 HydrophobicContact CB-CB 4.29Å; I579-I588 HydrophobicContact CG2-CB 4.18Å; I579-I588 HydrophobicContact CG2-CD1 4.13Å; I579-I588 PolarHBondContact O-N 2.8Å; I579-D589 WeakPolarHBondContact CB-O 3.27Å; I579-D589 HydrophobicContact CD1-CB 4.21Å; I579-D589 PolarHBondContact N-O 2.89Å; I579-L638 WeakPolarHBondContact CD1-O 3.4Å; I579-M643 HydrophobicContact CD1-CE 3.23Å; I579-M643 HydrophobicContact CG1-CE 3.84Å |
| 580 | W | 93.5 | Very high | 89.3 | Confident | 8 Ų | 8 | 36 Ų | 36 | 3% | 0.03 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 144 | -176.2 | -51.1 | 88.3 | 0 | 0 | 0 | 111.4 | L543 E545 I567 L568 T570 C578 K586 L587 | L543-W580 HydrophobicContact CB-CD2 4.14Å; L543-W580 HydrophobicContact CB-CE3 3.99Å; L543-W580 HydrophobicContact CB-CH2 3.61Å; L543-W580 HydrophobicContact CB-CZ2 3.82Å; L543-W580 HydrophobicContact CB-CZ3 3.73Å; L543-W580 HydrophobicContact CD1-CB 4.29Å; L543-W580 HydrophobicContact CD1-CD2 3.93Å; L543-W580 HydrophobicContact CD1-CE3 4.18Å; L543-W580 HydrophobicContact CD1-CG 3.98Å; L543-W580 HydrophobicContact CD2-CD2 4.31Å; L543-W580 HydrophobicContact CD2-CE3 3.71Å; L543-W580 HydrophobicContact CD2-CZ3 3.91Å; L543-W580 HydrophobicContact CG-CD2 4.35Å; L543-W580 HydrophobicContact CG-CE3 4.16Å; L543-W580 HydrophobicContact CG-CZ3 4.31Å; E545-W580 HydrophobicContact CB-CH2 3.53Å; E545-W580 HydrophobicContact CB-CZ2 3.7Å; E545-W580 HydrophobicContact CG-CH2 3.33Å; E545-W580 HydrophobicContact CG-CZ2 4Å; E545-W580 HydrophobicContact CG-CZ3 4.08Å; I567-W580 CarbonylContact C-O 3.59Å; I567-W580 VanDerWaalsContact CA-O 3.29Å; I567-W580 WeakPolarHBondContact CA-O 3.34Å; L568-W580 HydrophobicContact CB-CB 4.25Å; L568-W580 PolarHBondContact N-O 2.91Å; L568-W580 PolarHBondContact O-N 2.83Å; T570-W580 PolarHBondContact OG1-NE1 3.18Å; C578-W580 HydrophobicContact CB-CZ2 3.99Å; C578-W580 VanDerWaalsContact CB-NE1 3.31Å; W580-K586 WeakPolarHBondContact CA-O 2.99Å; W580-L587 HydrophobicContact CD2-CD1 3.93Å; W580-L587 HydrophobicContact CE3-CB 3.8Å; W580-L587 HydrophobicContact CE3-CD1 3.97Å; W580-L587 HydrophobicContact CH2-CB 4.4Å; W580-L587 HydrophobicContact CH2-CD1 4.03Å; W580-L587 HydrophobicContact CZ2-CD1 3.94Å; W580-L587 HydrophobicContact CZ3-CB 3.71Å; W580-L587 HydrophobicContact CZ3-CD1 4.02Å; W580-L587 HydrophobicContact CZ3-CG 4.47Å |
| 581 | N | 91.7 | Very high | 88.7 | Confident | 22 Ų | 22 | 36.3 Ų | 36.3 | 12% | 0.118 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 113.4 | 164.5 | -176 | -40.3 | 0 | 0 | 0 | 108.8 | Q565 K583 S584 G585 K586 I588 | Q565-N581 PolarHBondContact OE1-ND2 2.89Å; N581-K583 VanDerWaalsContact C-N 3.32Å; N581-K583 PolarHBondContact O-N 3.23Å; N581-K583 PolarHBondContact OD1-N 3.13Å; N581-S584 WeakPolarHBondContact CB-OG 3.41Å; N581-S584 PolarHBondContact O-N 2.82Å; N581-S584 PolarHBondContact OD1-N 2.94Å; N581-G585 WeakPolarHBondContact O-CA 3.24Å; N581-G585 PolarHBondContact O-N 3.03Å; N581-K586 PolarHBondContact N-O 2.86Å; N581-K586 PolarHBondContact O-N 2.94Å; N581-I588 HydrophobicContact CB-CD1 4.03Å; N581-I588 HydrophobicContact CB-CG1 4.13Å |
| 582 | L | 88.9 | Confident | 87.5 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.4 | -177 | -78.5 | 166.9 | 0 | 0 | 0 | 113.6 | I409 L412 V416 V426 Y541 W566 L568 | I409-L582 HydrophobicContact CD1-CD1 3.38Å; I409-L582 HydrophobicContact CD1-CD2 4.39Å; L412-L582 HydrophobicContact CD1-CB 4.17Å; V416-L582 HydrophobicContact CG2-CD2 4.07Å; V426-L582 HydrophobicContact CG2-CD2 4.38Å; Y541-L582 WeakPolarHBondContact CE2-O 3.39Å; W566-L582 HydrophobicContact CB-CB 4Å; W566-L582 HydrophobicContact CB-CD1 4.11Å; W566-L582 WeakPolarHBondContact O-CB 3.49Å; W566-L582 PolarHBondContact O-N 3.14Å; L568-L582 HydrophobicContact CB-CD1 3.93Å; L568-L582 HydrophobicContact CB-CD2 3.7Å; L568-L582 HydrophobicContact CB-CG 3.64Å; L568-L582 HydrophobicContact CD2-CD2 3.98Å; L568-L582 HydrophobicContact CG-CD2 4.32Å |
| 583 | K | 87.8 | Confident | 86.1 | Confident | 113 Ų | 113 | 42.1 Ų | 42.1 | 49% | 0.491 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -31.4 | 179.4 | -77 | -176.9 | 168 | 176.9 | 0 | 112.3 | L412 Y541 W566 N581 | L412-K583 HydrophobicContact CD2-CG 4.43Å; Y541-K583 PolarHBondContact OH-O 3.28Å; W566-K583 VanDerWaalsContact CD1-CE 3.44Å; N581-K583 VanDerWaalsContact C-N 3.32Å; N581-K583 PolarHBondContact O-N 3.23Å; N581-K583 PolarHBondContact OD1-N 3.13Å |
| 584 | S | 85.8 | Confident | 84.3 | Confident | 48 Ų | 48 | 42.2 Ų | 42.2 | 34% | 0.336 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | -13 | 179.7 | 71.2 | 0 | 0 | 0 | 0 | 113.9 | N581 K586 | N581-S584 WeakPolarHBondContact CB-OG 3.41Å; N581-S584 PolarHBondContact O-N 2.82Å; N581-S584 PolarHBondContact OD1-N 2.94Å; S584-K586 PolarHBondContact O-N 2.8Å; S584-K586 PolarHBondContact OG-N 3.18Å |
| 585 | G | 85.9 | Confident | 82.4 | Confident | 18 Ų | 18 | 49.3 Ų | 49.3 | 19% | 0.186 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.7 | 22.2 | -173.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L543 N581 | L543-G585 WeakPolarHBondContact CD2-O 3.26Å; N581-G585 WeakPolarHBondContact O-CA 3.24Å; N581-G585 PolarHBondContact O-N 3.03Å |
| 586 | K | 88.2 | Confident | 80 | Confident | 146 Ų | 146 | 49.8 Ų | 49.8 | 64% | 0.635 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 142.4 | -176.1 | -67.8 | -175.1 | 179.2 | -179.9 | 0 | 110.6 | W580 N581 S584 I588 | W580-K586 WeakPolarHBondContact CA-O 2.99Å; N581-K586 PolarHBondContact N-O 2.86Å; N581-K586 PolarHBondContact O-N 2.94Å; S584-K586 PolarHBondContact O-N 2.8Å; S584-K586 PolarHBondContact OG-N 3.18Å; K586-I588 PolarHBondContact O-N 2.83Å |
| 587 | L | 88.7 | Confident | 78.1 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 30% | 0.304 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 127.7 | 167.3 | -175.2 | 77.9 | 0 | 0 | 0 | 108.6 | E545 C578 W580 K590 | E545-L587 HydrophobicContact CG-CD1 4.27Å; E545-L587 HydrophobicContact CG-CD2 3.95Å; E545-L587 HydrophobicContact CG-CG 4.49Å; C578-L587 HydrophobicContact CB-CD1 3.87Å; W580-L587 HydrophobicContact CD2-CD1 3.93Å; W580-L587 HydrophobicContact CE3-CB 3.8Å; W580-L587 HydrophobicContact CE3-CD1 3.97Å; W580-L587 HydrophobicContact CH2-CB 4.4Å; W580-L587 HydrophobicContact CH2-CD1 4.03Å; W580-L587 HydrophobicContact CZ2-CD1 3.94Å; W580-L587 HydrophobicContact CZ3-CB 3.71Å; W580-L587 HydrophobicContact CZ3-CD1 4.02Å; W580-L587 HydrophobicContact CZ3-CG 4.47Å; L587-K590 HydrophobicContact CD1-CG 4.21Å; L587-K590 HydrophobicContact CD2-CG 4.07Å |
| 588 | I | 87.9 | Confident | 75.8 | Confident | 65 Ų | 65 | 63.5 Ų | 63.5 | 33% | 0.333 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | -59.2 | 172.8 | -58.2 | -179.7 | 0 | 0 | 0 | 108.4 | I579 N581 K586 L638 | I579-I588 HydrophobicContact CB-CB 4.29Å; I579-I588 HydrophobicContact CG2-CB 4.18Å; I579-I588 HydrophobicContact CG2-CD1 4.13Å; I579-I588 PolarHBondContact O-N 2.8Å; N581-I588 HydrophobicContact CB-CD1 4.03Å; N581-I588 HydrophobicContact CB-CG1 4.13Å; K586-I588 PolarHBondContact O-N 2.83Å; I588-L638 HydrophobicContact CD1-CD2 3.67Å; I588-L638 HydrophobicContact CG2-CD2 4.26Å |
| 589 | D | 88.3 | Confident | 73.5 | Confident | 44 Ų | 44 | 73 Ų | 73 | 24% | 0.235 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159 | 170.1 | 179.7 | -159.3 | 7.4 | 0 | 0 | 0 | 111.5 | I579 N639 G640 | I579-D589 WeakPolarHBondContact CB-O 3.27Å; I579-D589 HydrophobicContact CD1-CB 4.21Å; I579-D589 PolarHBondContact N-O 2.89Å; D589-N639 PolarHBondContact OD2-OD1 3.31Å; D589-G640 PolarHBondContact OD2-N 2.79Å |
| 590 | K | 85.8 | Confident | 71.2 | Confident | 34 Ų | 34 | 82.7 Ų | 82.7 | 15% | 0.148 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135.2 | 169.8 | -62.6 | -172.6 | -175.1 | -173.9 | 0 | 109.5 | E545 I577 L587 F592 | E545-K590 PolarHBondContact O-NZ 2.89Å; E545-K590 WeakPolarHBondContact OE2-CE 3.22Å; E545-K590 IonicContact OE2-NZ 2.76Å; E545-K590 PolarHBondContact OE2-NZ 2.87Å; I577-K590 WeakPolarHBondContact O-CA 3.39Å; L587-K590 HydrophobicContact CD1-CG 4.21Å; L587-K590 HydrophobicContact CD2-CG 4.07Å; K590-F592 HydrophobicContact CB-CD2 4.33Å; K590-F592 HydrophobicContact CB-CE2 3.61Å; K590-F592 HydrophobicContact CB-CZ 3.79Å; K590-F592 HydrophobicContact CD-CZ 4.03Å; K590-F592 WeakPolarHBondContact O-CD2 3.44Å; K590-F592 PolarHBondContact O-N 2.89Å |
| 591 | F | 82.5 | Confident | 68.7 | Low | 5 Ų | 5 | 89.7 Ų | 89.7 | 2% | 0.022 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 125.2 | 170.3 | 176.7 | -121.9 | 0 | 0 | 0 | 110.9 | I577 E593 A605 G640 M643 | I577-F591 HydrophobicContact CB-CB 4.05Å; I577-F591 HydrophobicContact CD1-CD1 4.09Å; I577-F591 HydrophobicContact CG1-CD1 4.46Å; I577-F591 PolarHBondContact O-N 3.09Å; F591-E593 HydrophobicContact CZ-CB 4.36Å; F591-E593 WeakPolarHBondContact CZ-OE2 3.44Å; F591-A605 HydrophobicContact CD1-CB 3.65Å; F591-A605 HydrophobicContact CE1-CB 3.72Å; F591-G640 WeakPolarHBondContact CD2-O 3.37Å; F591-M643 HydrophobicContact CB-SD 4.05Å; F591-M643 HydrophobicContact CD2-CB 3.98Å; F591-M643 HydrophobicContact CD2-SD 4.49Å; F591-M643 HydrophobicContact CE2-CB 4.15Å; F591-M643 HydrophobicContact CG-SD 4.27Å |
| 592 | F | 68.7 | Low | 66.7 | Low | 86 Ų | 86 | 91.7 Ų | 91.7 | 38% | 0.377 | 48% | 0.48 | S | S | . | . | trans | -122.5 | 138 | 165.1 | -57.1 | -78.5 | 0 | 0 | 0 | 108.2 | K590 T594 | K590-F592 HydrophobicContact CB-CD2 4.33Å; K590-F592 HydrophobicContact CB-CE2 3.61Å; K590-F592 HydrophobicContact CB-CZ 3.79Å; K590-F592 HydrophobicContact CD-CZ 4.03Å; K590-F592 WeakPolarHBondContact O-CD2 3.44Å; K590-F592 PolarHBondContact O-N 2.89Å; F592-T594 PolarHBondContact O-N 2.81Å | ||
| 593 | E | 59 | Low | 65.2 | Low | 37 Ų | 37 | 96.1 Ų | 96.1 | 17% | 0.173 | 50% | 0.501 | C | S | . | . | trans | -72.3 | 116.5 | 174.6 | -172.8 | 69.4 | -129.6 | 0 | 0 | 108.9 | F591 Q603 R634 | F591-E593 HydrophobicContact CZ-CB 4.36Å; F591-E593 WeakPolarHBondContact CZ-OE2 3.44Å; E593-Q603 HydrophobicContact CB-CB 4.45Å; E593-Q603 HydrophobicContact CB-CG 4.27Å; E593-Q603 PolarHBondContact N-O 3.34Å; E593-R634 IonicContact OE2-CZ 3.91Å; E593-R634 VanDerWaalsContact OE2-CZ 3.29Å; E593-R634 IonicContact OE2-NH1 3.64Å; E593-R634 PolarHBondContact OE2-NH1 3.5Å; E593-R634 IonicContact OE2-NH2 3.66Å; E593-R634 PolarHBondContact OE2-NH2 3.49Å | ||
| 594 | T | 48.9 | Very low | 64.5 | Low | 92 Ų | 92 | 94.5 Ų | 94.5 | 56% | 0.564 | 49% | 0.493 | S | S | * | . | trans | -93.3 | 2.7 | -174.7 | 43 | 0 | 0 | 0 | 0 | 114.4 | F592 C596 | F592-T594 PolarHBondContact O-N 2.81Å; T594-C596 PolarHBondContact O-N 3Å | ||
| 595 | Q | 43.9 | Very low | 64 | Low | 156 Ų | 156 | 92.4 Ų | 92.4 | 73% | 0.729 | 48% | 0.479 | S | S | * | . | trans | -90 | 70.9 | -179.1 | -65 | -173.4 | -4.9 | 0 | 0 | 113.3 | ||||
| 596 | C | 38.6 | Very low | 63.8 | Low | 88 Ų | 88 | 92 Ų | 92 | 60% | 0.595 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -170 | 145.6 | 149.6 | -156 | 0 | 0 | 0 | 0 | 110.8 | T594 D598 | T594-C596 PolarHBondContact O-N 3Å; C596-D598 PolarHBondContact O-N 2.85Å; C596-D598 VanDerWaalsContact O-N 3.14Å |
| 597 | L | 48.2 | Very low | 63.5 | Low | 173 Ų | 173 | 93.3 Ų | 93.3 | 91% | 0.906 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -68.1 | -6.2 | -175.5 | -87.8 | 115.1 | 0 | 0 | 0 | 115.6 | Q599 | L597-Q599 PolarHBondContact O-N 2.85Š|
| 598 | D | 43.6 | Very low | 63.2 | Low | 140 Ų | 140 | 91 Ų | 91 | 75% | 0.749 | 47% | 0.469 | S | S | * | . | trans | -89 | 90.5 | -179.7 | -83.3 | -27.8 | 0 | 0 | 0 | 112.6 | C596 K600 | C596-D598 PolarHBondContact O-N 2.85Å; C596-D598 VanDerWaalsContact O-N 3.14Å; D598-K600 PolarHBondContact O-N 2.96Å | ||
| 599 | Q | 44.7 | Very low | 63.2 | Low | 200 Ų | 200 | 89.2 Ų | 89.2 | 94% | 0.935 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 15.9 | -179.1 | -68.9 | -178 | -13 | 0 | 0 | 116.2 | L597 | L597-Q599 PolarHBondContact O-N 2.85Š|
| 600 | K | 45.4 | Very low | 63.4 | Low | 202 Ų | 202 | 87.1 Ų | 87.1 | 88% | 0.878 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | -4.5 | -172 | -81.2 | -175.4 | 178.1 | 176.5 | 0 | 117.3 | D598 | D598-K600 PolarHBondContact O-N 2.96Š|
| 601 | L | 41 | Very low | 63.7 | Low | 156 Ų | 156 | 87.1 Ų | 87.1 | 82% | 0.817 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -133.7 | 112.2 | 170.9 | -133.3 | 85.1 | 0 | 0 | 0 | 109.2 | Q603 | L601-Q603 PolarHBondContact O-N 3.04Š|
| 602 | G | 48.3 | Very low | 64.3 | Low | 64 Ų | 64 | 87.4 Ų | 87.4 | 66% | 0.66 | 45% | 0.454 | S | S | * | . | trans | -52.6 | 105.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 603 | Q | 57.1 | Low | 65.6 | Low | 94 Ų | 94 | 83.9 Ų | 83.9 | 44% | 0.439 | 44% | 0.439 | S | S | . | . | trans | -78.1 | 130.3 | -170.5 | -164.7 | 166.1 | -0.3 | 0 | 0 | 110 | E593 L601 | E593-Q603 HydrophobicContact CB-CB 4.45Å; E593-Q603 HydrophobicContact CB-CG 4.27Å; E593-Q603 PolarHBondContact N-O 3.34Å; L601-Q603 PolarHBondContact O-N 3.04Å | ||
| 604 | K | 74.3 | Confident | 67.3 | Low | 79 Ų | 79 | 82.5 Ų | 82.5 | 34% | 0.343 | 43% | 0.434 | S | S | . | . | trans | -84.9 | 156.3 | -171.4 | -70.9 | 172.4 | 172.7 | -135.1 | 0 | 111.5 | D574 R575 S606 | D574-K604 WeakPolarHBondContact O-CD 3.39Å; D574-K604 WeakPolarHBondContact O-CE 3.45Å; D574-K604 PolarHBondContact O-NZ 3.41Å; R575-K604 HydrophobicContact CB-CB 3.77Å; R575-K604 HydrophobicContact CB-CD 4.02Å; R575-K604 HydrophobicContact CB-CG 4.19Å; R575-K604 HydrophobicContact CG-CD 4.45Å; R575-K604 VanDerWaalsContact NH2-CD 3.35Å; K604-S606 PolarHBondContact O-N 2.9Å; K604-S606 VanDerWaalsContact O-N 3.12Å | ||
| 605 | A | 75.4 | Confident | 69.5 | Low | 3 Ų | 3 | 80.2 Ų | 80.2 | 3% | 0.025 | 42% | 0.415 | C | S | . | . | S | Bend | trans | -63.7 | -20.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.7 | R575 I577 F591 I610 Y624 | R575-A605 VanDerWaalsContact O-CB 3.26Å; R575-A605 WeakPolarHBondContact O-CB 3.42Å; R575-A605 PolarHBondContact O-N 3.15Å; I577-A605 HydrophobicContact CD1-CB 4.13Å; I577-A605 HydrophobicContact CG1-CB 4.09Å; F591-A605 HydrophobicContact CD1-CB 3.65Å; F591-A605 HydrophobicContact CE1-CB 3.72Å; A605-I610 HydrophobicContact CB-CD1 4.23Å; A605-Y624 PolarHBondContact O-OH 3.25Å |
| 606 | S | 80.4 | Confident | 71.7 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 6% | 0.063 | 38% | 0.381 | C | S | . | . | trans | -153.8 | 166.4 | -178.7 | 49.9 | 0 | 0 | 0 | 0 | 111.3 | R575 K604 G608 | R575-S606 WeakPolarHBondContact CD-O 3.11Å; K604-S606 PolarHBondContact O-N 2.9Å; K604-S606 VanDerWaalsContact O-N 3.12Å; S606-G608 PolarHBondContact OG-O 2.78Å | ||
| 607 | K | 82 | Confident | 74.1 | Confident | 174 Ų | 174 | 73 Ų | 73 | 76% | 0.757 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -72.7 | -45 | 173 | -68.6 | -177 | 177.8 | -179.2 | 0 | 110.6 | R575 D628 | R575-K607 WeakPolarHBondContact CD-O 3.18Å; R575-K607 PolarHBondContact NH1-O 3.43Å; K607-D628 HydrophobicContact CB-CB 4.26Å; K607-D628 PolarHBondContact N-OD2 2.8Å |
| 608 | G | 83.7 | Confident | 75.8 | Confident | 10 Ų | 10 | 70 Ų | 70 | 10% | 0.103 | 36% | 0.363 | C | S | . | . | S | Bend | trans | -93.7 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R575 S606 C626 S627 D628 | R575-G608 WeakPolarHBondContact CD-O 3.45Å; R575-G608 WeakPolarHBondContact CG-O 3.37Å; S606-G608 PolarHBondContact OG-O 2.78Å; G608-C626 WeakPolarHBondContact CA-SG 3.34Å; G608-C626 PolarHBondContact O-SG 2.86Å; G608-S627 WeakPolarHBondContact CA-OG 3.38Å; G608-D628 PolarHBondContact N-OD2 2.82Å |
| 609 | S | 87.5 | Confident | 77.8 | Confident | 27 Ų | 27 | 66.4 Ų | 66.4 | 19% | 0.189 | 34% | 0.343 | C | S | . | . | trans | -69.7 | 140 | 174.1 | -64.6 | 0 | 0 | 0 | 0 | 111 | C626 S627 | S609-C626 CarbonylContact O-C 3.3Å; S609-C626 WeakPolarHBondContact O-CA 3.4Å; S609-C626 PolarHBondContact O-SG 3.28Å; S609-S627 PolarHBondContact N-OG 3.35Å; S609-S627 PolarHBondContact O-N 3.44Å | ||
| 610 | I | 92.4 | Very high | 80 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 132.7 | 175.6 | -53.3 | 174.6 | 0 | 0 | 0 | 108.4 | T551 S571 G572 I577 A605 M613 Y624 | T551-I610 PolarHBondContact OG1-O 3.5Å; S571-I610 VanDerWaalsContact OG-CG2 3.3Å; S571-I610 WeakPolarHBondContact OG-CG2 3.15Å; G572-I610 PolarHBondContact O-N 2.75Å; I577-I610 HydrophobicContact CD1-CD1 4.17Å; I577-I610 HydrophobicContact CG1-CD1 3.82Å; A605-I610 HydrophobicContact CB-CD1 4.23Å; I610-M613 HydrophobicContact CD1-CE 4.34Å; I610-M613 HydrophobicContact CG2-CE 4.18Å; I610-M613 HydrophobicContact CG2-CG 4.32Å; I610-Y624 HydrophobicContact CD1-CD2 3.87Å; I610-Y624 HydrophobicContact CD1-CE2 4.06Å; I610-Y624 HydrophobicContact CG1-CD2 3.97Å; I610-Y624 HydrophobicContact CG1-CE2 4.35Å; I610-Y624 HydrophobicContact CG2-CD2 4.07Å; I610-Y624 HydrophobicContact CG2-CG 4.38Å |
| 611 | L | 92.4 | Very high | 82.2 | Confident | 34 Ų | 34 | 50 Ų | 50 | 18% | 0.178 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | -34.6 | -171.7 | -62.4 | -179.7 | 0 | 0 | 0 | 113.3 | C552 A625 P655 V656 | C552-L611 PolarHBondContact SG-O 3.13Å; C552-L611 VanDerWaalsContact SG-O 3.41Å; L611-A625 PolarHBondContact N-O 3.5Å; L611-P655 HydrophobicContact CD1-CB 4.23Å; L611-V656 WeakPolarHBondContact CD1-O 3.26Å |
| 612 | D | 94.5 | Very high | 84.7 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.064 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 162.7 | 175.1 | -157 | 26 | 0 | 0 | 0 | 111.3 | K405 C552 Y624 A625 N657 C658 I659 | K405-D612 IonicContact NZ-OD1 3.86Å; K405-D612 PolarHBondContact NZ-OD1 2.88Å; C552-D612 VanDerWaalsContact SG-CA 3.55Å; C552-D612 PolarHBondContact SG-N 3.11Å; D612-Y624 WeakPolarHBondContact O-CA 3.31Å; D612-A625 PolarHBondContact O-N 3.19Å; D612-N657 WeakPolarHBondContact CB-O 3.29Å; D612-C658 WeakPolarHBondContact OD2-CA 3.07Å; D612-I659 HydrophobicContact CB-CG2 4.13Å; D612-I659 PolarHBondContact OD2-N 3.02Å; D612-I659 VanDerWaalsContact OD2-N 3.09Å |
| 613 | M | 95.9 | Very high | 86.9 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 144.8 | -177.4 | -69.2 | -175.3 | 150.1 | 0 | 0 | 111.6 | C552 L554 S571 I577 I610 F622 A623 Y624 | C552-M613 HydrophobicContact CB-CB 4.45Å; C552-M613 HydrophobicContact CB-CG 3.85Å; C552-M613 HydrophobicContact CB-SD 4.02Å; L554-M613 HydrophobicContact CB-CB 4.17Å; L554-M613 HydrophobicContact CD2-CB 4.06Å; S571-M613 WeakPolarHBondContact OG-CE 3.33Å; S571-M613 PolarHBondContact OG-SD 3.29Å; S571-M613 VanDerWaalsContact OG-SD 3.39Å; I577-M613 HydrophobicContact CB-CE 4.45Å; I577-M613 HydrophobicContact CD1-CE 3.65Å; I577-M613 HydrophobicContact CG1-CE 3.74Å; I577-M613 HydrophobicContact CG2-CE 4.01Å; I610-M613 HydrophobicContact CD1-CE 4.34Å; I610-M613 HydrophobicContact CG2-CE 4.18Å; I610-M613 HydrophobicContact CG2-CG 4.32Å; M613-F622 HydrophobicContact CE-CE2 4.38Å; M613-A623 WeakPolarHBondContact CA-O 3.42Å; M613-Y624 HydrophobicContact CE-CG 4.32Å |
| 614 | A | 95 | Very high | 88.7 | Confident | 8 Ų | 8 | 35 Ų | 35 | 7% | 0.066 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 153 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111 | F622 A623 I659 F661 W674 | A614-F622 CarbonylContact O-C 3.55Å; A614-F622 VanDerWaalsContact O-CA 3.27Å; A614-F622 WeakPolarHBondContact O-CA 3.42Å; A614-F622 WeakPolarHBondContact O-CB 3.46Å; A614-A623 PolarHBondContact N-O 3.25Å; A614-A623 PolarHBondContact O-N 3.43Å; A614-I659 HydrophobicContact CB-CG1 4.18Å; A614-I659 HydrophobicContact CB-CG2 4.06Å; A614-F661 HydrophobicContact CB-CB 4.46Å; A614-W674 HydrophobicContact CB-CE3 4.3Å; A614-W674 HydrophobicContact CB-CZ3 3.81Å |
| 615 | Y | 94.6 | Very high | 89.7 | Confident | 43 Ų | 43 | 31.3 Ų | 31.3 | 17% | 0.169 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 135.7 | -176.9 | -179 | -123.1 | 0 | 0 | 0 | 111 | I556 P617 N620 I621 F622 F636 | I556-Y615 HydrophobicContact CD1-CD2 3.91Å; I556-Y615 HydrophobicContact CD1-CE2 4.11Å; I556-Y615 HydrophobicContact CD1-CG 4.14Å; I556-Y615 HydrophobicContact CG1-CD1 4.13Å; I556-Y615 HydrophobicContact CG1-CD2 4.37Å; I556-Y615 HydrophobicContact CG1-CE1 4.4Å; I556-Y615 HydrophobicContact CG1-CG 4.11Å; I556-Y615 HydrophobicContact CG2-CD1 4.43Å; I556-Y615 HydrophobicContact CG2-CE1 3.9Å; Y615-P617 HydrophobicContact CD1-CB 4.1Å; Y615-P617 HydrophobicContact CE1-CB 3.65Å; Y615-P617 WeakPolarHBondContact O-CD 3.49Å; Y615-N620 PolarHBondContact OH-OD1 3.26Å; Y615-I621 WeakPolarHBondContact CD2-O 3.22Å; Y615-F622 HydrophobicContact CD2-CB 4.01Å; Y615-F636 HydrophobicContact CE2-CB 4.11Å; Y615-F636 HydrophobicContact CE2-CG 4.45Å |
| 616 | N | 91.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 106.9 | 165.6 | 176.3 | -8.4 | 0 | 0 | 0 | 107.8 | E618 L619 N620 I621 F661 W674 | N616-E618 VanDerWaalsContact C-N 3.31Å; N616-E618 PolarHBondContact O-N 3.14Å; N616-E618 WeakPolarHBondContact OD1-CB 3.42Å; N616-E618 PolarHBondContact OD1-N 2.86Å; N616-L619 PolarHBondContact OD1-N 3.21Å; N616-N620 PolarHBondContact O-N 3.37Å; N616-I621 HydrophobicContact CB-CD1 4.39Å; N616-I621 HydrophobicContact CB-CG1 3.74Å; N616-I621 PolarHBondContact N-O 3.38Å; N616-I621 PolarHBondContact O-N 2.58Å; N616-F661 HydrophobicContact CB-CD1 4.03Å; N616-F661 HydrophobicContact CB-CD2 3.91Å; N616-F661 HydrophobicContact CB-CE1 3.84Å; N616-F661 HydrophobicContact CB-CE2 3.73Å; N616-F661 HydrophobicContact CB-CG 4.06Å; N616-F661 HydrophobicContact CB-CZ 3.7Å; N616-F661 WeakPolarHBondContact ND2-CE2 3.48Å; N616-F661 WeakPolarHBondContact ND2-CZ 3.45Å; N616-F661 WeakPolarHBondContact OD1-CZ 3.24Å; N616-W674 HydrophobicContact CB-CH2 3.74Å; N616-W674 HydrophobicContact CB-CZ2 3.85Å |
| 617 | P | 87.4 | Confident | 90.9 | Very high | 91 Ų | 91 | 32.9 Ų | 32.9 | 59% | 0.591 | 17% | 0.174 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | -24.4 | -178.5 | 28.4 | -34.5 | 0 | 0 | 0 | 114.3 | Y615 | Y615-P617 HydrophobicContact CD1-CB 4.1Å; Y615-P617 HydrophobicContact CE1-CB 3.65Å; Y615-P617 WeakPolarHBondContact O-CD 3.49Å |
| 618 | E | 84.4 | Confident | 91.2 | Very high | 112 Ų | 112 | 26.4 Ų | 26.4 | 52% | 0.523 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -48.4 | -176.6 | -176.1 | -179.1 | 179.4 | 0 | 0 | 111.4 | N616 N620 | N616-E618 VanDerWaalsContact C-N 3.31Å; N616-E618 PolarHBondContact O-N 3.14Å; N616-E618 WeakPolarHBondContact OD1-CB 3.42Å; N616-E618 PolarHBondContact OD1-N 2.86Å; E618-N620 VanDerWaalsContact C-N 3.34Å |
| 619 | L | 86.2 | Confident | 91.5 | Very high | 64 Ų | 64 | 27.4 Ų | 27.4 | 34% | 0.335 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -1.9 | 179.8 | -63.7 | -179.6 | 0 | 0 | 0 | 113.1 | N616 I621 Q671 T688 | N616-L619 PolarHBondContact OD1-N 3.21Å; L619-I621 HydrophobicContact CB-CD1 3.91Å; L619-I621 HydrophobicContact CB-CG1 3.89Å; L619-I621 HydrophobicContact CB-CG2 4.33Å; L619-I621 HydrophobicContact CD1-CD1 3.93Å; L619-I621 PolarHBondContact O-N 2.84Å; L619-Q671 HydrophobicContact CD1-CB 4.33Å; L619-T688 HydrophobicContact CD1-CG2 3.57Å |
| 620 | N | 89.8 | Confident | 91.7 | Very high | 42 Ų | 42 | 28 Ų | 28 | 23% | 0.225 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 47.3 | -174.4 | -174.7 | 47.3 | 0 | 0 | 0 | 111.6 | Y615 N616 E618 F636 | Y615-N620 PolarHBondContact OH-OD1 3.26Å; N616-N620 PolarHBondContact O-N 3.37Å; E618-N620 VanDerWaalsContact C-N 3.34Å; N620-F636 PolarHBondContact ND2-O 3.43Å; N620-F636 PolarHBondContact O-N 3.37Å; N620-F636 WeakPolarHBondContact OD1-CB 3.32Å; N620-F636 WeakPolarHBondContact OD1-CD1 3.47Å |
| 621 | I | 92 | Very high | 91.7 | Very high | 15 Ų | 15 | 28 Ų | 28 | 8% | 0.077 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 149.3 | 177.3 | 60.7 | -179.5 | 0 | 0 | 0 | 109.3 | Y615 N616 L619 V633 R634 Q646 W674 T688 | Y615-I621 WeakPolarHBondContact CD2-O 3.22Å; N616-I621 HydrophobicContact CB-CD1 4.39Å; N616-I621 HydrophobicContact CB-CG1 3.74Å; N616-I621 PolarHBondContact N-O 3.38Å; N616-I621 PolarHBondContact O-N 2.58Å; L619-I621 HydrophobicContact CB-CD1 3.91Å; L619-I621 HydrophobicContact CB-CG1 3.89Å; L619-I621 HydrophobicContact CB-CG2 4.33Å; L619-I621 HydrophobicContact CD1-CD1 3.93Å; L619-I621 PolarHBondContact O-N 2.84Å; I621-V633 HydrophobicContact CB-CG1 4.34Å; I621-V633 HydrophobicContact CD1-CG1 4.01Å; I621-V633 HydrophobicContact CG1-CG1 4.44Å; I621-R634 CarbonylContact C-O 3.08Å; I621-R634 WeakPolarHBondContact CA-O 3.39Å; I621-R634 VanDerWaalsContact CB-O 3.32Å; I621-R634 WeakPolarHBondContact CB-O 3.27Å; I621-Q646 HydrophobicContact CG2-CG 4.41Å; I621-W674 HydrophobicContact CD1-CZ2 3.91Å; I621-W674 HydrophobicContact CG1-CZ2 3.96Å; I621-T688 HydrophobicContact CD1-CG2 3.87Å |
| 622 | F | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 148.8 | 172.9 | 71.7 | -80.1 | 0 | 0 | 0 | 110 | L554 L569 I577 M613 A614 Y615 Y624 V633 R634 F636 M643 | L554-F622 HydrophobicContact CD2-CB 4.32Å; L569-F622 HydrophobicContact CD1-CD2 4.47Å; L569-F622 HydrophobicContact CD1-CG 4.43Å; I577-F622 HydrophobicContact CD1-CE2 3.87Å; I577-F622 HydrophobicContact CD1-CZ 4.14Å; M613-F622 HydrophobicContact CE-CE2 4.38Å; A614-F622 CarbonylContact O-C 3.55Å; A614-F622 VanDerWaalsContact O-CA 3.27Å; A614-F622 WeakPolarHBondContact O-CA 3.42Å; A614-F622 WeakPolarHBondContact O-CB 3.46Å; Y615-F622 HydrophobicContact CD2-CB 4.01Å; F622-Y624 HydrophobicContact CD2-CD1 4.05Å; F622-Y624 AromaticContact CE2-CD1 3.59Å; F622-Y624 HydrophobicContact CE2-CD1 3.59Å; F622-Y624 AromaticContact CE2-CE1 4Å; F622-Y624 HydrophobicContact CE2-CE1 4Å; F622-V633 WeakPolarHBondContact O-CA 3.48Å; F622-R634 HydrophobicContact CD1-CB 4.29Å; F622-R634 HydrophobicContact CE1-CB 3.73Å; F622-R634 HydrophobicContact CZ-CB 3.91Å; F622-R634 PolarHBondContact N-O 3.44Å; F622-R634 PolarHBondContact O-N 2.87Å; F622-F636 HydrophobicContact CD1-CB 3.99Å; F622-F636 HydrophobicContact CD1-CD2 4.25Å; F622-F636 HydrophobicContact CE1-CD2 4.44Å; F622-M643 HydrophobicContact CE1-CE 4.42Å; F622-M643 HydrophobicContact CE1-CG 4.37Å; F622-M643 HydrophobicContact CE1-SD 3.86Å; F622-M643 HydrophobicContact CZ-SD 3.8Å |
| 623 | A | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 142.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | M613 A614 I631 Y632 V633 I659 W674 | M613-A623 WeakPolarHBondContact CA-O 3.42Å; A614-A623 PolarHBondContact N-O 3.25Å; A614-A623 PolarHBondContact O-N 3.43Å; A623-I631 HydrophobicContact CB-CG2 4.09Å; A623-Y632 CarbonylContact C-O 3.55Å; A623-Y632 VanDerWaalsContact CA-O 3.26Å; A623-Y632 WeakPolarHBondContact CA-O 3.38Å; A623-V633 HydrophobicContact CB-CG2 3.94Å; A623-I659 HydrophobicContact CB-CD1 3.43Å; A623-I659 VanDerWaalsContact CB-CD1 3.43Å; A623-W674 HydrophobicContact CB-CD2 3.87Å; A623-W674 HydrophobicContact CB-CE3 3.56Å; A623-W674 HydrophobicContact CB-CH2 3.77Å; A623-W674 HydrophobicContact CB-CZ2 4.07Å; A623-W674 HydrophobicContact CB-CZ3 3.5Å; A623-W674 VanDerWaalsContact CB-CZ3 3.5Å |
| 624 | Y | 95.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 133 | 177.1 | 60.2 | -89.9 | 0 | 0 | 0 | 111.7 | I577 A605 I610 D612 M613 F622 I631 Y632 R634 | I577-Y624 HydrophobicContact CD1-CD1 4.15Å; I577-Y624 HydrophobicContact CD1-CE1 3.96Å; A605-Y624 PolarHBondContact O-OH 3.25Å; I610-Y624 HydrophobicContact CD1-CD2 3.87Å; I610-Y624 HydrophobicContact CD1-CE2 4.06Å; I610-Y624 HydrophobicContact CG1-CD2 3.97Å; I610-Y624 HydrophobicContact CG1-CE2 4.35Å; I610-Y624 HydrophobicContact CG2-CD2 4.07Å; I610-Y624 HydrophobicContact CG2-CG 4.38Å; D612-Y624 WeakPolarHBondContact O-CA 3.31Å; M613-Y624 HydrophobicContact CE-CG 4.32Å; F622-Y624 HydrophobicContact CD2-CD1 4.05Å; F622-Y624 AromaticContact CE2-CD1 3.59Å; F622-Y624 HydrophobicContact CE2-CD1 3.59Å; F622-Y624 AromaticContact CE2-CE1 4Å; F622-Y624 HydrophobicContact CE2-CE1 4Å; Y624-I631 WeakPolarHBondContact O-CA 3.33Å; Y624-Y632 WeakPolarHBondContact CD1-O 3.47Å; Y624-Y632 HydrophobicContact CD2-CD2 4.09Å; Y624-Y632 HydrophobicContact CD2-CG 4.46Å; Y624-Y632 HydrophobicContact CE1-CG 4.46Å; Y624-Y632 AromaticContact CE2-CD2 3.53Å; Y624-Y632 HydrophobicContact CE2-CD2 3.53Å; Y624-Y632 HydrophobicContact CE2-CE2 4.42Å; Y624-Y632 AromaticContact CE2-CG 3.69Å; Y624-Y632 HydrophobicContact CE2-CG 3.69Å; Y624-Y632 AromaticContact CZ-CG 3.7Å; Y624-Y632 PolarHBondContact N-O 2.79Å; Y624-Y632 PolarHBondContact O-N 3.47Å; Y624-Y632 VanDerWaalsContact O-N 3.12Å; Y624-Y632 WeakPolarHBondContact OH-CB 3.29Å; Y624-R634 HydrophobicContact CE1-CG 4Å; Y624-R634 PolarHBondContact OH-NE 2.92Å; Y624-R634 PolarHBondContact OH-NH2 2.85Å |
| 625 | A | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 139.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | L611 D612 V656 I659 | L611-A625 PolarHBondContact N-O 3.5Å; D612-A625 PolarHBondContact O-N 3.19Å; A625-V656 HydrophobicContact CB-CB 3.93Å; A625-V656 HydrophobicContact CB-CG1 3.65Å; A625-V656 WeakPolarHBondContact CB-O 3.28Å; A625-I659 HydrophobicContact CB-CB 4.13Å; A625-I659 HydrophobicContact CB-CG2 3.98Å |
| 626 | C | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 153.9 | -167.1 | -171.8 | 0 | 0 | 0 | 0 | 112.6 | G608 S609 D628 C629 L630 Y632 V656 | G608-C626 WeakPolarHBondContact CA-SG 3.34Å; G608-C626 PolarHBondContact O-SG 2.86Å; S609-C626 CarbonylContact O-C 3.3Å; S609-C626 WeakPolarHBondContact O-CA 3.4Å; S609-C626 PolarHBondContact O-SG 3.28Å; C626-D628 WeakPolarHBondContact CB-OD1 3.27Å; C626-D628 PolarHBondContact O-N 2.72Å; C626-D628 PolarHBondContact SG-OD1 2.74Å; C626-D628 PolarHBondContact SG-OD2 3.05Å; C626-C629 PolarHBondContact O-N 3.09Å; C626-L630 WeakPolarHBondContact CB-O 3.32Å; C626-L630 PolarHBondContact N-O 3.32Å; C626-L630 VanDerWaalsContact N-O 3.15Å; C626-Y632 HydrophobicContact CB-CD2 4.49Å; C626-Y632 HydrophobicContact CB-CE2 4.2Å; C626-V656 PolarHBondContact O-N 3.07Å; C626-V656 VanDerWaalsContact O-N 3.1Å |
| 627 | S | 89.5 | Confident | 91.1 | Very high | 46 Ų | 46 | 29.6 Ų | 29.6 | 32% | 0.322 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -5.9 | 175.9 | 80.7 | 0 | 0 | 0 | 0 | 113.8 | G608 S609 C629 | G608-S627 WeakPolarHBondContact CA-OG 3.38Å; S609-S627 PolarHBondContact N-OG 3.35Å; S609-S627 PolarHBondContact O-N 3.44Å; S627-C629 PolarHBondContact O-N 3.27Å |
| 628 | D | 88.4 | Confident | 91.2 | Very high | 37 Ų | 37 | 27.1 Ų | 27.1 | 20% | 0.198 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 15.5 | 172.9 | 64.1 | 5.9 | 0 | 0 | 0 | 112.9 | K607 G608 C626 L630 Y632 | K607-D628 HydrophobicContact CB-CB 4.26Å; K607-D628 PolarHBondContact N-OD2 2.8Å; G608-D628 PolarHBondContact N-OD2 2.82Å; C626-D628 WeakPolarHBondContact CB-OD1 3.27Å; C626-D628 PolarHBondContact O-N 2.72Å; C626-D628 PolarHBondContact SG-OD1 2.74Å; C626-D628 PolarHBondContact SG-OD2 3.05Å; D628-L630 PolarHBondContact O-N 3.46Å; D628-L630 WeakPolarHBondContact OD1-CB 3.32Å; D628-L630 PolarHBondContact OD1-N 2.95Å; D628-L630 VanDerWaalsContact OD1-N 3.14Å; D628-Y632 PolarHBondContact OD2-OH 3.24Å |
| 629 | C | 88.5 | Confident | 91.2 | Very high | 32 Ų | 32 | 24.4 Ų | 24.4 | 22% | 0.216 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 68.3 | 7.7 | -179.1 | -45 | 0 | 0 | 0 | 0 | 114.4 | C626 S627 H652 G654 | C626-C629 PolarHBondContact O-N 3.09Å; S627-C629 PolarHBondContact O-N 3.27Å; C629-H652 WeakPolarHBondContact CB-O 3.32Å; C629-G654 WeakPolarHBondContact CA-O 3.16Å; C629-G654 WeakPolarHBondContact CB-O 3.46Å; C629-G654 VanDerWaalsContact SG-CA 3.52Å; C629-G654 PolarHBondContact SG-O 3.01Å |
| 630 | L | 91.9 | Very high | 91.1 | Very high | 38 Ų | 38 | 21.4 Ų | 21.4 | 20% | 0.199 | 12% | 0.115 | C | C | . | . | trans | -108.5 | 159.8 | -178.9 | -59.9 | 178.3 | 0 | 0 | 0 | 112.2 | C626 D628 Y632 V650 | C626-L630 WeakPolarHBondContact CB-O 3.32Å; C626-L630 PolarHBondContact N-O 3.32Å; C626-L630 VanDerWaalsContact N-O 3.15Å; D628-L630 PolarHBondContact O-N 3.46Å; D628-L630 WeakPolarHBondContact OD1-CB 3.32Å; D628-L630 PolarHBondContact OD1-N 2.95Å; D628-L630 VanDerWaalsContact OD1-N 3.14Å; L630-Y632 HydrophobicContact CB-CE2 3.91Å; L630-V650 HydrophobicContact CD2-CB 4.19Å; L630-V650 HydrophobicContact CD2-CG1 4.06Å; L630-V650 HydrophobicContact CD2-CG2 3.82Å | ||
| 631 | I | 93.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 133.5 | 166.4 | -56.6 | 96 | 0 | 0 | 0 | 108.3 | A623 Y624 K648 L649 V656 I659 T676 W686 | A623-I631 HydrophobicContact CB-CG2 4.09Å; Y624-I631 WeakPolarHBondContact O-CA 3.33Å; I631-K648 CarbonylContact O-C 3.53Å; I631-K648 WeakPolarHBondContact O-CA 3.39Å; I631-L649 HydrophobicContact CB-CB 4.02Å; I631-L649 HydrophobicContact CB-CD1 3.98Å; I631-L649 HydrophobicContact CB-CG 4.08Å; I631-L649 HydrophobicContact CD1-CB 4.24Å; I631-L649 HydrophobicContact CG2-CD1 3.82Å; I631-L649 HydrophobicContact CG2-CG 4.24Å; I631-L649 PolarHBondContact N-O 2.71Å; I631-L649 PolarHBondContact O-N 3.18Å; I631-V656 HydrophobicContact CD1-CG1 4.12Å; I631-V656 HydrophobicContact CD1-CG2 3.92Å; I631-V656 HydrophobicContact CG1-CG1 4.07Å; I631-V656 HydrophobicContact CG1-CG2 4.36Å; I631-I659 HydrophobicContact CG2-CD1 3.5Å; I631-T676 HydrophobicContact CD1-CG2 3.76Å; I631-T676 HydrophobicContact CG1-CG2 3.72Å; I631-W686 HydrophobicContact CD1-CZ2 4.33Å |
| 632 | Y | 92.9 | Very high | 90.4 | Very high | 11 Ų | 11 | 26.6 Ų | 26.6 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.7 | 178 | -62.1 | -99.7 | 0 | 0 | 0 | 108.5 | A623 Y624 C626 D628 L630 L645 K648 | A623-Y632 CarbonylContact C-O 3.55Å; A623-Y632 VanDerWaalsContact CA-O 3.26Å; A623-Y632 WeakPolarHBondContact CA-O 3.38Å; Y624-Y632 WeakPolarHBondContact CD1-O 3.47Å; Y624-Y632 HydrophobicContact CD2-CD2 4.09Å; Y624-Y632 HydrophobicContact CD2-CG 4.46Å; Y624-Y632 HydrophobicContact CE1-CG 4.46Å; Y624-Y632 AromaticContact CE2-CD2 3.53Å; Y624-Y632 HydrophobicContact CE2-CD2 3.53Å; Y624-Y632 HydrophobicContact CE2-CE2 4.42Å; Y624-Y632 AromaticContact CE2-CG 3.69Å; Y624-Y632 HydrophobicContact CE2-CG 3.69Å; Y624-Y632 AromaticContact CZ-CG 3.7Å; Y624-Y632 PolarHBondContact N-O 2.79Å; Y624-Y632 PolarHBondContact O-N 3.47Å; Y624-Y632 VanDerWaalsContact O-N 3.12Å; Y624-Y632 WeakPolarHBondContact OH-CB 3.29Å; C626-Y632 HydrophobicContact CB-CD2 4.49Å; C626-Y632 HydrophobicContact CB-CE2 4.2Å; D628-Y632 PolarHBondContact OD2-OH 3.24Å; L630-Y632 HydrophobicContact CB-CE2 3.91Å; Y632-L645 HydrophobicContact CD1-CD1 3.98Å; Y632-K648 HydrophobicContact CD1-CD 4.2Å; Y632-K648 HydrophobicContact CD1-CG 4.02Å; Y632-K648 HydrophobicContact CE1-CD 3.9Å; Y632-K648 HydrophobicContact CE1-CG 4.23Å |
| 633 | V | 92.6 | Very high | 90.1 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 124.1 | 176.7 | -173.8 | 0 | 0 | 0 | 0 | 108.4 | I621 F622 A623 Q646 T647 L649 W674 | I621-V633 HydrophobicContact CB-CG1 4.34Å; I621-V633 HydrophobicContact CD1-CG1 4.01Å; I621-V633 HydrophobicContact CG1-CG1 4.44Å; F622-V633 WeakPolarHBondContact O-CA 3.48Å; A623-V633 HydrophobicContact CB-CG2 3.94Å; V633-Q646 WeakPolarHBondContact O-CB 3.39Å; V633-Q646 PolarHBondContact O-N 2.91Å; V633-T647 HydrophobicContact CB-CG2 3.83Å; V633-T647 HydrophobicContact CG2-CG2 3.92Å; V633-T647 PolarHBondContact N-O 3.36Å; V633-T647 PolarHBondContact O-N 3.39Å; V633-L649 HydrophobicContact CG2-CD1 4.13Å; V633-L649 HydrophobicContact CG2-CD2 4.15Å; V633-L649 HydrophobicContact CG2-CG 4.07Å; V633-W674 HydrophobicContact CG1-CZ2 4.27Å |
| 634 | R | 92.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 151.5 | -175.5 | -66.2 | -169.6 | 177.1 | -95 | -3.8 | 111.6 | E593 I621 F622 Y624 M643 H644 L645 | E593-R634 IonicContact OE2-CZ 3.91Å; E593-R634 VanDerWaalsContact OE2-CZ 3.29Å; E593-R634 IonicContact OE2-NH1 3.64Å; E593-R634 PolarHBondContact OE2-NH1 3.5Å; E593-R634 IonicContact OE2-NH2 3.66Å; E593-R634 PolarHBondContact OE2-NH2 3.49Å; I621-R634 CarbonylContact C-O 3.08Å; I621-R634 WeakPolarHBondContact CA-O 3.39Å; I621-R634 VanDerWaalsContact CB-O 3.32Å; I621-R634 WeakPolarHBondContact CB-O 3.27Å; F622-R634 HydrophobicContact CD1-CB 4.29Å; F622-R634 HydrophobicContact CE1-CB 3.73Å; F622-R634 HydrophobicContact CZ-CB 3.91Å; F622-R634 PolarHBondContact N-O 3.44Å; F622-R634 PolarHBondContact O-N 2.87Å; Y624-R634 HydrophobicContact CE1-CG 4Å; Y624-R634 PolarHBondContact OH-NE 2.92Å; Y624-R634 PolarHBondContact OH-NH2 2.85Å; R634-M643 WeakPolarHBondContact CD-O 3.43Å; R634-M643 PolarHBondContact NH1-O 3.44Å; R634-H644 VanDerWaalsContact CA-O 3.31Å; R634-H644 WeakPolarHBondContact CA-O 3.28Å; R634-L645 HydrophobicContact CG-CD1 4.08Å |
| 635 | K | 91.4 | Very high | 89.4 | Confident | 102 Ų | 102 | 34.9 Ų | 34.9 | 44% | 0.443 | 18% | 0.18 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 134.7 | 165.3 | -168.6 | 173.9 | -178.4 | 179.1 | 0 | 109.6 | M643 H644 | K635-M643 WeakPolarHBondContact O-CA 3.5Å; K635-H644 PolarHBondContact N-O 2.86Å |
| 636 | F | 91.9 | Very high | 89.1 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 1% | 0.013 | 20% | 0.203 | C | C | . | . | trans | -81.2 | 130.3 | 173.7 | 178.8 | -103.2 | 0 | 0 | 0 | 110.1 | I556 Y558 I567 L569 Y615 N620 F622 M643 | I556-F636 HydrophobicContact CD1-CD1 4.43Å; I556-F636 HydrophobicContact CD1-CD2 3.66Å; I556-F636 HydrophobicContact CD1-CE1 4.4Å; I556-F636 HydrophobicContact CD1-CE2 3.62Å; I556-F636 HydrophobicContact CD1-CG 4.08Å; I556-F636 HydrophobicContact CD1-CZ 4.01Å; I556-F636 HydrophobicContact CG2-CE1 4.16Å; I556-F636 HydrophobicContact CG2-CZ 4.41Å; Y558-F636 HydrophobicContact CD2-CD1 4.25Å; Y558-F636 AromaticContact CD2-CE1 3.71Å; Y558-F636 HydrophobicContact CD2-CE1 3.71Å; Y558-F636 HydrophobicContact CE2-CD1 4.4Å; Y558-F636 HydrophobicContact CE2-CE1 4.09Å; Y558-F636 HydrophobicContact CG-CE1 4.5Å; I567-F636 HydrophobicContact CD1-CE1 3.96Å; I567-F636 HydrophobicContact CD1-CZ 3.68Å; I567-F636 HydrophobicContact CG2-CZ 4.09Å; L569-F636 HydrophobicContact CD1-CD2 3.92Å; L569-F636 HydrophobicContact CD1-CE2 3.83Å; L569-F636 HydrophobicContact CD2-CE2 3.99Å; L569-F636 HydrophobicContact CG-CE2 4.07Å; Y615-F636 HydrophobicContact CE2-CB 4.11Å; Y615-F636 HydrophobicContact CE2-CG 4.45Å; N620-F636 PolarHBondContact ND2-O 3.43Å; N620-F636 PolarHBondContact O-N 3.37Å; N620-F636 WeakPolarHBondContact OD1-CB 3.32Å; N620-F636 WeakPolarHBondContact OD1-CD1 3.47Å; F622-F636 HydrophobicContact CD1-CB 3.99Å; F622-F636 HydrophobicContact CD1-CD2 4.25Å; F622-F636 HydrophobicContact CE1-CD2 4.44Å; F636-M643 HydrophobicContact CD2-CE 4.05Å; F636-M643 HydrophobicContact CE2-CE 4.09Å | ||
| 637 | S | 90.4 | Very high | 89 | Confident | 20 Ų | 20 | 42.2 Ų | 42.2 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | trans | -137.6 | 157.8 | 167.6 | -176.6 | 0 | 0 | 0 | 0 | 109 | N639 E642 M643 | S637-N639 VanDerWaalsContact C-N 3.27Å; S637-N639 PolarHBondContact OG-N 3.14Å; S637-E642 PolarHBondContact OG-OE2 2.95Å; S637-M643 WeakPolarHBondContact O-CE 3.4Å | ||
| 638 | L | 88.1 | Confident | 89 | Confident | 40 Ų | 40 | 44.7 Ų | 44.7 | 21% | 0.209 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -70.2 | -27.6 | 170.5 | -82.3 | 165.9 | 0 | 0 | 0 | 112.1 | Y558 I567 I579 I588 | Y558-L638 HydrophobicContact CD1-CD1 4.11Å; Y558-L638 HydrophobicContact CE1-CD1 3.58Å; Y558-L638 HydrophobicContact CE1-CG 4.34Å; I567-L638 HydrophobicContact CD1-CD2 3.38Å; I567-L638 HydrophobicContact CD1-CG 4.16Å; I567-L638 HydrophobicContact CG1-CD2 4.28Å; I579-L638 WeakPolarHBondContact CD1-O 3.4Å; I588-L638 HydrophobicContact CD1-CD2 3.67Å; I588-L638 HydrophobicContact CG2-CD2 4.26Å |
| 639 | N | 85.9 | Confident | 89.1 | Confident | 55 Ų | 55 | 43.1 Ų | 43.1 | 29% | 0.294 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -88.6 | 118.7 | 172.7 | -177.1 | 3.2 | 0 | 0 | 0 | 108.2 | D589 S637 N641 E642 | D589-N639 PolarHBondContact OD2-OD1 3.31Å; S637-N639 VanDerWaalsContact C-N 3.27Å; S637-N639 PolarHBondContact OG-N 3.14Å; N639-N641 PolarHBondContact O-N 3.03Å; N639-N641 PolarHBondContact OD1-N 2.86Å; N639-E642 HydrophobicContact CB-CB 4.28Å; N639-E642 HydrophobicContact CB-CG 4.1Å; N639-E642 PolarHBondContact ND2-OE1 2.7Å; N639-E642 PolarHBondContact O-N 2.95Å |
| 640 | G | 82.9 | Confident | 89.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -54.7 | -42 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | D589 F591 E642 M643 | D589-G640 PolarHBondContact OD2-N 2.79Å; F591-G640 WeakPolarHBondContact CD2-O 3.37Å; G640-E642 PolarHBondContact O-N 2.84Å; G640-E642 VanDerWaalsContact O-N 3.07Å; G640-M643 WeakPolarHBondContact O-CB 3.22Å; G640-M643 WeakPolarHBondContact O-CG 3.31Å; G640-M643 PolarHBondContact O-N 2.79Å |
| 641 | N | 83.3 | Confident | 88.8 | Confident | 74 Ų | 74 | 45.5 Ų | 45.5 | 40% | 0.396 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -64.1 | -18.1 | -177.6 | -62.8 | -39.2 | 0 | 0 | 0 | 114.3 | N639 | N639-N641 PolarHBondContact O-N 3.03Å; N639-N641 PolarHBondContact OD1-N 2.86Å |
| 642 | E | 85.5 | Confident | 88.5 | Confident | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 24% | 0.236 | S | C | . | . | G | 310 helix | trans | -94.6 | 5.1 | 178.1 | -69.4 | 168.3 | -159.5 | 0 | 0 | 113 | S637 N639 G640 H644 | S637-E642 PolarHBondContact OG-OE2 2.95Å; N639-E642 HydrophobicContact CB-CB 4.28Å; N639-E642 HydrophobicContact CB-CG 4.1Å; N639-E642 PolarHBondContact ND2-OE1 2.7Å; N639-E642 PolarHBondContact O-N 2.95Å; G640-E642 PolarHBondContact O-N 2.84Å; G640-E642 VanDerWaalsContact O-N 3.07Å; E642-H644 PolarHBondContact O-CD2 3.01Å; E642-H644 PolarHBondContact O-N 3.31Å |
| 643 | M | 87.8 | Confident | 88.3 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | trans | -77.8 | 66.9 | 174.7 | -65.4 | -174 | 174.2 | 0 | 0 | 111.6 | L569 I579 F591 F622 R634 K635 F636 S637 G640 L645 | L569-M643 HydrophobicContact CD2-CE 4.39Å; I579-M643 HydrophobicContact CD1-CE 3.23Å; I579-M643 HydrophobicContact CG1-CE 3.84Å; F591-M643 HydrophobicContact CB-SD 4.05Å; F591-M643 HydrophobicContact CD2-CB 3.98Å; F591-M643 HydrophobicContact CD2-SD 4.49Å; F591-M643 HydrophobicContact CE2-CB 4.15Å; F591-M643 HydrophobicContact CG-SD 4.27Å; F622-M643 HydrophobicContact CE1-CE 4.42Å; F622-M643 HydrophobicContact CE1-CG 4.37Å; F622-M643 HydrophobicContact CE1-SD 3.86Å; F622-M643 HydrophobicContact CZ-SD 3.8Å; R634-M643 WeakPolarHBondContact CD-O 3.43Å; R634-M643 PolarHBondContact NH1-O 3.44Å; K635-M643 WeakPolarHBondContact O-CA 3.5Å; F636-M643 HydrophobicContact CD2-CE 4.05Å; F636-M643 HydrophobicContact CE2-CE 4.09Å; S637-M643 WeakPolarHBondContact O-CE 3.4Å; G640-M643 WeakPolarHBondContact O-CB 3.22Å; G640-M643 WeakPolarHBondContact O-CG 3.31Å; G640-M643 PolarHBondContact O-N 2.79Å; M643-L645 PolarHBondContact O-N 3.02Å | ||
| 644 | H | 86.9 | Confident | 88 | Confident | 109 Ų | 109 | 51 Ų | 51 | 51% | 0.505 | 27% | 0.265 | S | S | . | . | trans | -62.8 | 135.4 | -178.4 | -59.5 | -55.5 | 0 | 0 | 0 | 111.7 | R634 K635 E642 Q646 | R634-H644 VanDerWaalsContact CA-O 3.31Å; R634-H644 WeakPolarHBondContact CA-O 3.28Å; K635-H644 PolarHBondContact N-O 2.86Å; E642-H644 PolarHBondContact O-CD2 3.01Å; E642-H644 PolarHBondContact O-N 3.31Å; H644-Q646 PolarHBondContact O-N 2.9Å | ||
| 645 | L | 88.1 | Confident | 87.9 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 121.1 | 171.2 | -174.4 | 69.8 | 0 | 0 | 0 | 109.7 | Y632 R634 M643 K648 | Y632-L645 HydrophobicContact CD1-CD1 3.98Å; R634-L645 HydrophobicContact CG-CD1 4.08Å; M643-L645 PolarHBondContact O-N 3.02Å; L645-K648 HydrophobicContact CD1-CG 4.39Å; L645-K648 HydrophobicContact CD2-CD 4.32Å; L645-K648 HydrophobicContact CD2-CG 3.96Å |
| 646 | Q | 87.1 | Confident | 88 | Confident | 103 Ų | 103 | 47.5 Ų | 47.5 | 48% | 0.481 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | -52.3 | 174.9 | -68.8 | -67.8 | -29.2 | 0 | 0 | 110 | I621 V633 H644 | I621-Q646 HydrophobicContact CG2-CG 4.41Å; V633-Q646 WeakPolarHBondContact O-CB 3.39Å; V633-Q646 PolarHBondContact O-N 2.91Å; H644-Q646 PolarHBondContact O-N 2.9Å |
| 647 | T | 89.7 | Confident | 88.1 | Confident | 51 Ų | 51 | 48.5 Ų | 48.5 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 162.6 | -178.9 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | V633 L649 | V633-T647 HydrophobicContact CB-CG2 3.83Å; V633-T647 HydrophobicContact CG2-CG2 3.92Å; V633-T647 PolarHBondContact N-O 3.36Å; V633-T647 PolarHBondContact O-N 3.39Å; T647-L649 HydrophobicContact CG2-CD2 3.86Å |
| 648 | K | 90 | Very high | 88.2 | Confident | 99 Ų | 99 | 47.6 Ų | 47.6 | 43% | 0.43 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 123.3 | 169.1 | -59.8 | -175.9 | -172.4 | 178.3 | 0 | 108.5 | I631 Y632 L645 V650 | I631-K648 CarbonylContact O-C 3.53Å; I631-K648 WeakPolarHBondContact O-CA 3.39Å; Y632-K648 HydrophobicContact CD1-CD 4.2Å; Y632-K648 HydrophobicContact CD1-CG 4.02Å; Y632-K648 HydrophobicContact CE1-CD 3.9Å; Y632-K648 HydrophobicContact CE1-CG 4.23Å; L645-K648 HydrophobicContact CD1-CG 4.39Å; L645-K648 HydrophobicContact CD2-CD 4.32Å; L645-K648 HydrophobicContact CD2-CG 3.96Å; K648-V650 HydrophobicContact CB-CG2 4.48Å; K648-V650 PolarHBondContact O-N 2.96Å |
| 649 | L | 90.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 114.4 | 174.8 | -36.4 | 175.8 | 0 | 0 | 0 | 107.7 | I631 V633 T647 W674 W686 I694 | I631-L649 HydrophobicContact CB-CB 4.02Å; I631-L649 HydrophobicContact CB-CD1 3.98Å; I631-L649 HydrophobicContact CB-CG 4.08Å; I631-L649 HydrophobicContact CD1-CB 4.24Å; I631-L649 HydrophobicContact CG2-CD1 3.82Å; I631-L649 HydrophobicContact CG2-CG 4.24Å; I631-L649 PolarHBondContact N-O 2.71Å; I631-L649 PolarHBondContact O-N 3.18Å; V633-L649 HydrophobicContact CG2-CD1 4.13Å; V633-L649 HydrophobicContact CG2-CD2 4.15Å; V633-L649 HydrophobicContact CG2-CG 4.07Å; T647-L649 HydrophobicContact CG2-CD2 3.86Å; L649-W674 HydrophobicContact CD1-CB 4.3Å; L649-W674 HydrophobicContact CD1-CG 4.42Å; L649-W686 HydrophobicContact CB-CD2 3.98Å; L649-W686 HydrophobicContact CB-CE3 3.97Å; L649-W686 HydrophobicContact CB-CH2 4.23Å; L649-W686 HydrophobicContact CB-CZ2 4.25Å; L649-W686 HydrophobicContact CB-CZ3 4.08Å; L649-W686 HydrophobicContact CD1-CB 4.07Å; L649-W686 HydrophobicContact CD1-CD2 4.06Å; L649-W686 HydrophobicContact CD1-CG 3.75Å; L649-W686 HydrophobicContact CG-CD2 4.49Å; L649-I694 HydrophobicContact CB-CG2 4.37Å; L649-I694 HydrophobicContact CD2-CG2 3.29Å; L649-I694 HydrophobicContact CG-CG2 4.37Å |
| 650 | V | 89.2 | Confident | 89.1 | Confident | 100 Ų | 100 | 44.1 Ų | 44.1 | 61% | 0.606 | 24% | 0.235 | S | C | * | . | trans | -112.2 | 131.5 | -176.6 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | L630 K648 W686 | L630-V650 HydrophobicContact CD2-CB 4.19Å; L630-V650 HydrophobicContact CD2-CG1 4.06Å; L630-V650 HydrophobicContact CD2-CG2 3.82Å; K648-V650 HydrophobicContact CB-CG2 4.48Å; K648-V650 PolarHBondContact O-N 2.96Å; V650-W686 WeakPolarHBondContact O-CH2 3.27Å | ||
| 651 | G | 84.2 | Confident | 89.6 | Confident | 21 Ų | 21 | 45 Ų | 45 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | trans | 163.5 | -22.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R684 | G651-R684 PolarHBondContact O-NE 3.07Å; G651-R684 PolarHBondContact O-NH2 3.02Å | ||
| 652 | H | 88.3 | Confident | 90 | Very high | 9 Ų | 9 | 42 Ų | 42 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -71.6 | 145.5 | 174.3 | -79.3 | -64.7 | 0 | 0 | 0 | 111.8 | C629 V656 T676 S678 D680 T682 | C629-H652 WeakPolarHBondContact CB-O 3.32Å; H652-V656 HydrophobicContact CB-CG2 3.9Å; H652-T676 PolarHBondContact CD2-OG1 3.35Å; H652-T676 PolarHBondContact NE2-OG1 3.26Å; H652-S678 WeakPolarHBondContact ND1-CB 3.37Å; H652-D680 VanDerWaalsContact CA-OD2 3.25Å; H652-D680 WeakPolarHBondContact CA-OD2 3.41Å; H652-D680 WeakPolarHBondContact CB-OD2 3.37Å; H652-D680 IonicContact CE1-OD1 3.96Å; H652-D680 IonicContact CG-OD2 2.95Å; H652-D680 IonicContact ND1-OD1 3.35Å; H652-D680 PolarHBondContact ND1-OD1 3.47Å; H652-D680 IonicContact ND1-OD2 3.9Å; H652-D680 PolarHBondContact ND1-OD2 3.05Å; H652-T682 PolarHBondContact CE1-OG1 2.85Å; H652-T682 PolarHBondContact ND1-OG1 3.32Å; H652-T682 VanDerWaalsContact ND1-OG1 3.14Å | ||
| 653 | N | 88.5 | Confident | 90 | Very high | 114 Ų | 114 | 40.5 Ų | 40.5 | 61% | 0.61 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -106 | 8.7 | 179.8 | -69.6 | -34 | 0 | 0 | 0 | 112.7 | D680 | N653-D680 HydrophobicContact CB-CB 4.2Å; N653-D680 PolarHBondContact N-OD2 2.93Å |
| 654 | G | 86.1 | Confident | 89.2 | Confident | 6 Ų | 6 | 41.5 Ų | 41.5 | 6% | 0.062 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -150.4 | 168.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | C629 V656 S678 | C629-G654 WeakPolarHBondContact CA-O 3.16Å; C629-G654 WeakPolarHBondContact CB-O 3.46Å; C629-G654 VanDerWaalsContact SG-CA 3.52Å; C629-G654 PolarHBondContact SG-O 3.01Å; G654-V656 PolarHBondContact O-N 3.39Å; G654-S678 PolarHBondContact O-OG 3.24Å |
| 655 | P | 89.6 | Confident | 87.7 | Confident | 34 Ų | 34 | 42.4 Ų | 42.4 | 22% | 0.221 | 24% | 0.237 | C | C | . | . | trans | -46.8 | 130.3 | 176.3 | -30.7 | 36.4 | 0 | 0 | 0 | 112.5 | L611 N657 S678 D679 | L611-P655 HydrophobicContact CD1-CB 4.23Å; P655-N657 PolarHBondContact O-N 3.32Å; P655-S678 VanDerWaalsContact O-CA 3.29Å; P655-S678 WeakPolarHBondContact O-CA 3.47Å; P655-S678 WeakPolarHBondContact O-CB 3.34Å; P655-S678 PolarHBondContact O-OG 2.84Å; P655-D679 PolarHBondContact O-N 3.47Å | ||
| 656 | V | 93.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 106.4 | 177.9 | -170.3 | 0 | 0 | 0 | 0 | 107.7 | L611 A625 C626 I631 H652 G654 G677 | L611-V656 WeakPolarHBondContact CD1-O 3.26Å; A625-V656 HydrophobicContact CB-CB 3.93Å; A625-V656 HydrophobicContact CB-CG1 3.65Å; A625-V656 WeakPolarHBondContact CB-O 3.28Å; C626-V656 PolarHBondContact O-N 3.07Å; C626-V656 VanDerWaalsContact O-N 3.1Å; I631-V656 HydrophobicContact CD1-CG1 4.12Å; I631-V656 HydrophobicContact CD1-CG2 3.92Å; I631-V656 HydrophobicContact CG1-CG1 4.07Å; I631-V656 HydrophobicContact CG1-CG2 4.36Å; H652-V656 HydrophobicContact CB-CG2 3.9Å; G654-V656 PolarHBondContact O-N 3.39Å; V656-G677 CarbonylContact C-O 3.59Å |
| 657 | N | 93.3 | Very high | 84.1 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -26.6 | -171.1 | -70.5 | -37.6 | 0 | 0 | 0 | 113.3 | D612 P655 G677 D679 I705 | D612-N657 WeakPolarHBondContact CB-O 3.29Å; P655-N657 PolarHBondContact O-N 3.32Å; N657-G677 PolarHBondContact N-O 2.85Å; N657-D679 VanDerWaalsContact ND2-CG 3.3Å; N657-D679 PolarHBondContact ND2-OD1 3.49Å; N657-I705 WeakPolarHBondContact CB-O 3.43Å; N657-I705 PolarHBondContact ND2-O 3.23Å |
| 658 | C | 93.9 | Very high | 82.2 | Confident | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.007 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 149.1 | -172.3 | 53.7 | 0 | 0 | 0 | 0 | 111.9 | D612 T676 G677 I705 F708 | D612-C658 WeakPolarHBondContact OD2-CA 3.07Å; C658-T676 WeakPolarHBondContact O-CA 3.4Å; C658-G677 PolarHBondContact N-O 3.29Å; C658-G677 PolarHBondContact O-N 3.41Å; C658-I705 WeakPolarHBondContact SG-CG2 3.49Å; C658-F708 HydrophobicContact CB-CD2 3.91Å; C658-F708 HydrophobicContact CB-CE2 4.46Å; C658-F708 HydrophobicContact CB-CG 4.29Å; C658-F708 WeakPolarHBondContact SG-CD2 3.43Å; C658-F708 WeakPolarHBondContact SG-CE2 3.17Å |
| 659 | I | 96.2 | Very high | 80.5 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | 138.5 | 177.2 | -174 | 166.4 | 0 | 0 | 0 | 110.3 | D612 A614 A623 A625 I631 W674 I675 T676 | D612-I659 HydrophobicContact CB-CG2 4.13Å; D612-I659 PolarHBondContact OD2-N 3.02Å; D612-I659 VanDerWaalsContact OD2-N 3.09Å; A614-I659 HydrophobicContact CB-CG1 4.18Å; A614-I659 HydrophobicContact CB-CG2 4.06Å; A623-I659 HydrophobicContact CB-CD1 3.43Å; A623-I659 VanDerWaalsContact CB-CD1 3.43Å; A625-I659 HydrophobicContact CB-CB 4.13Å; A625-I659 HydrophobicContact CB-CG2 3.98Å; I631-I659 HydrophobicContact CG2-CD1 3.5Å; I659-W674 HydrophobicContact CD1-CE3 4.14Å; I659-W674 HydrophobicContact CG1-CE3 4.34Å; I659-I675 VanDerWaalsContact CA-O 3.3Å; I659-I675 WeakPolarHBondContact CA-O 3.46Å; I659-T676 HydrophobicContact CB-CG2 4.39Å; I659-T676 HydrophobicContact CD1-CG2 3.86Å; I659-T676 HydrophobicContact CG1-CG2 3.91Å |
| 660 | V | 95.6 | Very high | 79.3 | Confident | 21 Ų | 21 | 53 Ų | 53 | 13% | 0.127 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 151.5 | 173.3 | -66.4 | 0 | 0 | 0 | 0 | 109.8 | I675 F708 L710 L717 | V660-I675 HydrophobicContact CG2-CB 3.8Å; V660-I675 HydrophobicContact CG2-CD1 4.17Å; V660-I675 HydrophobicContact CG2-CG2 4.32Å; V660-I675 PolarHBondContact N-O 2.69Å; V660-I675 PolarHBondContact O-N 3.41Å; V660-F708 HydrophobicContact CG1-CB 3.74Å; V660-F708 HydrophobicContact CG2-CB 4.15Å; V660-F708 HydrophobicContact CG2-CD2 4.09Å; V660-F708 HydrophobicContact CG2-CG 4.43Å; V660-L710 HydrophobicContact CB-CD1 3.97Å; V660-L710 HydrophobicContact CB-CG 4.25Å; V660-L710 HydrophobicContact CG2-CD1 3.76Å; V660-L710 HydrophobicContact CG2-CD2 4.4Å; V660-L710 HydrophobicContact CG2-CG 3.79Å; V660-L717 HydrophobicContact CG2-CD1 4.11Å |
| 661 | F | 93.6 | Very high | 78.5 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.2 | 174.2 | -179.8 | -108.7 | 0 | 0 | 0 | 109.5 | A614 N616 P663 W674 L710 | A614-F661 HydrophobicContact CB-CB 4.46Å; N616-F661 HydrophobicContact CB-CD1 4.03Å; N616-F661 HydrophobicContact CB-CD2 3.91Å; N616-F661 HydrophobicContact CB-CE1 3.84Å; N616-F661 HydrophobicContact CB-CE2 3.73Å; N616-F661 HydrophobicContact CB-CG 4.06Å; N616-F661 HydrophobicContact CB-CZ 3.7Å; N616-F661 WeakPolarHBondContact ND2-CE2 3.48Å; N616-F661 WeakPolarHBondContact ND2-CZ 3.45Å; N616-F661 WeakPolarHBondContact OD1-CZ 3.24Å; F661-P663 HydrophobicContact CE1-CB 3.93Å; F661-W674 HydrophobicContact CB-CE3 3.91Å; F661-W674 HydrophobicContact CB-CH2 4.32Å; F661-W674 HydrophobicContact CB-CZ3 3.64Å; F661-W674 AromaticContact CD2-CD2 3.94Å; F661-W674 HydrophobicContact CD2-CD2 3.94Å; F661-W674 AromaticContact CD2-CE2 3.99Å; F661-W674 AromaticContact CD2-CE3 3.83Å; F661-W674 HydrophobicContact CD2-CE3 3.83Å; F661-W674 AromaticContact CD2-CH2 3.92Å; F661-W674 HydrophobicContact CD2-CH2 3.92Å; F661-W674 AromaticContact CD2-CZ2 4Å; F661-W674 HydrophobicContact CD2-CZ2 4Å; F661-W674 AromaticContact CD2-CZ3 3.84Å; F661-W674 HydrophobicContact CD2-CZ3 3.84Å; F661-W674 HydrophobicContact CE2-CZ2 4.42Å; F661-W674 HydrophobicContact CG-CE3 4.33Å; F661-W674 HydrophobicContact CG-CH2 4.32Å; F661-W674 HydrophobicContact CG-CZ3 4.06Å; F661-L710 VanDerWaalsContact O-CD1 3.22Å; F661-L710 WeakPolarHBondContact O-CD1 3.35Å |
| 662 | N | 91.6 | Very high | 78.5 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 109 | 171.5 | -173.8 | 30.3 | 0 | 0 | 0 | 109 | S664 G672 E673 I675 L710 | N662-S664 PolarHBondContact O-N 2.88Å; N662-S664 VanDerWaalsContact O-N 3.1Å; N662-G672 CarbonylContact O-C 3.53Å; N662-G672 VanDerWaalsContact O-CA 3.28Å; N662-G672 WeakPolarHBondContact O-CA 3.45Å; N662-E673 PolarHBondContact N-O 3.35Å; N662-E673 PolarHBondContact O-N 3.25Å; N662-I675 HydrophobicContact CB-CD1 3.88Å; N662-L710 HydrophobicContact CB-CD1 3.86Å |
| 663 | P | 86.2 | Confident | 78.6 | Confident | 62 Ų | 62 | 51.1 Ų | 51.1 | 40% | 0.403 | 29% | 0.292 | S | S | . | . | trans | -68.2 | 109 | 168.5 | 29.3 | -27.2 | 0 | 0 | 0 | 107 | F661 F712 | F661-P663 HydrophobicContact CE1-CB 3.93Å; P663-F712 HydrophobicContact CG-CE1 4.15Å | ||
| 664 | S | 70.6 | Confident | 78.8 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | trans | -69.5 | 144.6 | 171.3 | 46 | 0 | 0 | 0 | 0 | 108.7 | N662 V666 N670 G672 | N662-S664 PolarHBondContact O-N 2.88Å; N662-S664 VanDerWaalsContact O-N 3.1Å; S664-V666 PolarHBondContact O-N 3.15Å; S664-N670 WeakPolarHBondContact OG-CB 3.24Å; S664-N670 PolarHBondContact OG-O 3.33Å; S664-N670 VanDerWaalsContact OG-O 3.07Å; S664-G672 VanDerWaalsContact OG-CA 3.26Å; S664-G672 WeakPolarHBondContact OG-CA 3.29Å; S664-G672 PolarHBondContact OG-N 3.46Å; S664-G672 VanDerWaalsContact OG-N 3.08Å | ||
| 665 | N | 55.4 | Low | 79.3 | Confident | 129 Ų | 129 | 45.6 Ų | 45.6 | 69% | 0.69 | 26% | 0.261 | S | S | * | . | trans | -55 | 117.4 | 175.8 | -77.6 | -1.2 | 0 | 0 | 0 | 108.7 | E667 N668 | N665-E667 PolarHBondContact O-N 3.45Å; N665-N668 PolarHBondContact O-N 2.94Å | ||
| 666 | V | 49.6 | Very low | 79.6 | Confident | 93 Ų | 93 | 44 Ų | 44 | 56% | 0.564 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -57.6 | -17.2 | -175.4 | 179.1 | 0 | 0 | 0 | 0 | 112.3 | S664 N668 G669 | S664-V666 PolarHBondContact O-N 3.15Å; V666-N668 PolarHBondContact O-N 3.12Å; V666-G669 PolarHBondContact O-N 2.78Å |
| 667 | E | 50 | Low | 79.6 | Confident | 180 Ų | 180 | 44 Ų | 44 | 84% | 0.841 | 25% | 0.25 | S | S | * | . | G | 310 helix | trans | -52 | -27 | 175.3 | -67.8 | -172.6 | 162.2 | 0 | 0 | 113.8 | N665 | N665-E667 PolarHBondContact O-N 3.45Š|
| 668 | N | 49.9 | Very low | 79.6 | Confident | 150 Ų | 150 | 42.9 Ų | 42.9 | 80% | 0.802 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -97.5 | 8.8 | 177.1 | -71.8 | -16.2 | 0 | 0 | 0 | 114.6 | N665 V666 N670 | N665-N668 PolarHBondContact O-N 2.94Å; V666-N668 PolarHBondContact O-N 3.12Å; N668-N670 PolarHBondContact O-N 2.96Å |
| 669 | G | 54.2 | Low | 79.4 | Confident | 68 Ų | 68 | 43.5 Ų | 43.5 | 70% | 0.701 | 25% | 0.248 | S | C | * | . | trans | 66.8 | 16.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | V666 | V666-G669 PolarHBondContact O-N 2.78Š| ||
| 670 | N | 65.6 | Low | 79 | Confident | 50 Ų | 50 | 44.7 Ų | 44.7 | 27% | 0.267 | 25% | 0.254 | S | S | . | . | trans | -92.6 | 130.4 | -177.3 | -164.3 | 10 | 0 | 0 | 0 | 110.2 | S664 N668 G672 | S664-N670 WeakPolarHBondContact OG-CB 3.24Å; S664-N670 PolarHBondContact OG-O 3.33Å; S664-N670 VanDerWaalsContact OG-O 3.07Å; N668-N670 PolarHBondContact O-N 2.96Å; N670-G672 PolarHBondContact O-N 2.86Å | ||
| 671 | Q | 72.1 | Confident | 78.8 | Confident | 77 Ų | 77 | 44.6 Ų | 44.6 | 36% | 0.36 | 25% | 0.254 | S | S | . | . | trans | -80.9 | 24.5 | -171.5 | -62.7 | -178.4 | -16.7 | 0 | 0 | 114.2 | L619 T688 | L619-Q671 HydrophobicContact CD1-CB 4.33Å; Q671-T688 HydrophobicContact CB-CG2 4.45Å; Q671-T688 WeakPolarHBondContact CB-O 3.42Å; Q671-T688 WeakPolarHBondContact O-CB 3.3Å; Q671-T688 PolarHBondContact OE1-O 2.86Å | ||
| 672 | G | 85.3 | Confident | 78.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | 76.9 | 168.9 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | N662 S664 N670 T688 | N662-G672 CarbonylContact O-C 3.53Å; N662-G672 VanDerWaalsContact O-CA 3.28Å; N662-G672 WeakPolarHBondContact O-CA 3.45Å; S664-G672 VanDerWaalsContact OG-CA 3.26Å; S664-G672 WeakPolarHBondContact OG-CA 3.29Å; S664-G672 PolarHBondContact OG-N 3.46Å; S664-G672 VanDerWaalsContact OG-N 3.08Å; N670-G672 PolarHBondContact O-N 2.86Å; G672-T688 VanDerWaalsContact O-CB 3.32Å; G672-T688 WeakPolarHBondContact O-CB 3.25Å; G672-T688 PolarHBondContact O-N 3.29Å; G672-T688 VanDerWaalsContact O-N 3.1Å; G672-T688 PolarHBondContact O-OG1 3.14Å | ||
| 673 | E | 90.2 | Very high | 78.8 | Confident | 13 Ų | 13 | 43.6 Ų | 43.6 | 6% | 0.061 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 140 | -174.4 | -58.3 | -173.7 | 147.2 | 0 | 0 | 111.6 | N662 I685 W686 R696 | N662-E673 PolarHBondContact N-O 3.35Å; N662-E673 PolarHBondContact O-N 3.25Å; E673-I685 HydrophobicContact CB-CG2 3.89Å; E673-I685 HydrophobicContact CG-CG2 4.33Å; E673-I685 VanDerWaalsContact OE2-CG2 3.3Å; E673-I685 WeakPolarHBondContact OE2-CG2 3.39Å; E673-W686 CarbonylContact C-O 3.57Å; E673-W686 WeakPolarHBondContact CA-O 2.92Å; E673-W686 WeakPolarHBondContact CB-O 3.49Å; E673-R696 IonicContact OE1-CZ 3.87Å; E673-R696 IonicContact OE1-NE 2.77Å; E673-R696 PolarHBondContact OE1-NE 3.33Å; E673-R696 IonicContact OE1-NH2 3.97Å; E673-R696 PolarHBondContact OE1-NH2 2.95Å; E673-R696 IonicContact OE2-CZ 3.68Å; E673-R696 IonicContact OE2-NE 2.76Å; E673-R696 IonicContact OE2-NH2 3.49Å; E673-R696 PolarHBondContact OE2-NH2 2.67Å |
| 674 | W | 93.1 | Very high | 79.1 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 137.9 | 167.6 | -56.7 | 98.1 | 0 | 0 | 0 | 109.4 | A614 N616 I621 A623 V633 L649 I659 F661 I685 W686 T688 | A614-W674 HydrophobicContact CB-CE3 4.3Å; A614-W674 HydrophobicContact CB-CZ3 3.81Å; N616-W674 HydrophobicContact CB-CH2 3.74Å; N616-W674 HydrophobicContact CB-CZ2 3.85Å; I621-W674 HydrophobicContact CD1-CZ2 3.91Å; I621-W674 HydrophobicContact CG1-CZ2 3.96Å; A623-W674 HydrophobicContact CB-CD2 3.87Å; A623-W674 HydrophobicContact CB-CE3 3.56Å; A623-W674 HydrophobicContact CB-CH2 3.77Å; A623-W674 HydrophobicContact CB-CZ2 4.07Å; A623-W674 HydrophobicContact CB-CZ3 3.5Å; A623-W674 VanDerWaalsContact CB-CZ3 3.5Å; V633-W674 HydrophobicContact CG1-CZ2 4.27Å; L649-W674 HydrophobicContact CD1-CB 4.3Å; L649-W674 HydrophobicContact CD1-CG 4.42Å; I659-W674 HydrophobicContact CD1-CE3 4.14Å; I659-W674 HydrophobicContact CG1-CE3 4.34Å; F661-W674 HydrophobicContact CB-CE3 3.91Å; F661-W674 HydrophobicContact CB-CH2 4.32Å; F661-W674 HydrophobicContact CB-CZ3 3.64Å; F661-W674 AromaticContact CD2-CD2 3.94Å; F661-W674 HydrophobicContact CD2-CD2 3.94Å; F661-W674 AromaticContact CD2-CE2 3.99Å; F661-W674 AromaticContact CD2-CE3 3.83Å; F661-W674 HydrophobicContact CD2-CE3 3.83Å; F661-W674 AromaticContact CD2-CH2 3.92Å; F661-W674 HydrophobicContact CD2-CH2 3.92Å; F661-W674 AromaticContact CD2-CZ2 4Å; F661-W674 HydrophobicContact CD2-CZ2 4Å; F661-W674 AromaticContact CD2-CZ3 3.84Å; F661-W674 HydrophobicContact CD2-CZ3 3.84Å; F661-W674 HydrophobicContact CE2-CZ2 4.42Å; F661-W674 HydrophobicContact CG-CE3 4.33Å; F661-W674 HydrophobicContact CG-CH2 4.32Å; F661-W674 HydrophobicContact CG-CZ3 4.06Å; W674-I685 CarbonylContact O-C 3.54Å; W674-I685 WeakPolarHBondContact O-CA 3.46Å; W674-W686 HydrophobicContact CB-CB 4.18Å; W674-W686 PolarHBondContact N-O 3.1Å; W674-W686 VanDerWaalsContact O-CD1 3.31Å; W674-W686 PolarHBondContact O-N 3.46Å; W674-T688 PolarHBondContact NE1-OG1 2.91Å |
| 675 | I | 95.1 | Very high | 80.1 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 124 | 176.2 | -58.9 | 155.4 | 0 | 0 | 0 | 107.9 | I659 V660 N662 I683 R684 I685 F708 L710 L717 L730 | I659-I675 VanDerWaalsContact CA-O 3.3Å; I659-I675 WeakPolarHBondContact CA-O 3.46Å; V660-I675 HydrophobicContact CG2-CB 3.8Å; V660-I675 HydrophobicContact CG2-CD1 4.17Å; V660-I675 HydrophobicContact CG2-CG2 4.32Å; V660-I675 PolarHBondContact N-O 2.69Å; V660-I675 PolarHBondContact O-N 3.41Å; N662-I675 HydrophobicContact CB-CD1 3.88Å; I675-I683 HydrophobicContact CG2-CG2 3.73Å; I675-R684 CarbonylContact C-O 3.52Å; I675-R684 WeakPolarHBondContact CA-O 3.42Å; I675-I685 HydrophobicContact CG1-CG1 4.27Å; I675-I685 HydrophobicContact CG1-CG2 4.18Å; I675-F708 HydrophobicContact CG2-CD2 4.44Å; I675-F708 HydrophobicContact CG2-CE2 3.91Å; I675-F708 HydrophobicContact CG2-CZ 4.18Å; I675-L710 HydrophobicContact CD1-CD1 4.19Å; I675-L710 HydrophobicContact CD1-CD2 3.76Å; I675-L710 HydrophobicContact CD1-CG 4.47Å; I675-L717 HydrophobicContact CG2-CD1 4.27Å; I675-L717 HydrophobicContact CG2-CD2 3.75Å; I675-L730 HydrophobicContact CD1-CD1 4.07Å; I675-L730 HydrophobicContact CD1-CD2 3.44Å; I675-L730 VanDerWaalsContact CD1-CD2 3.44Å; I675-L730 HydrophobicContact CD1-CG 4.4Å; I675-L730 HydrophobicContact CG1-CD2 4.24Å |
| 676 | T | 95.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 142 | -173.3 | 63.3 | 0 | 0 | 0 | 0 | 110.9 | I631 H652 C658 I659 I683 R684 W686 | I631-T676 HydrophobicContact CD1-CG2 3.76Å; I631-T676 HydrophobicContact CG1-CG2 3.72Å; H652-T676 PolarHBondContact CD2-OG1 3.35Å; H652-T676 PolarHBondContact NE2-OG1 3.26Å; C658-T676 WeakPolarHBondContact O-CA 3.4Å; I659-T676 HydrophobicContact CB-CG2 4.39Å; I659-T676 HydrophobicContact CD1-CG2 3.86Å; I659-T676 HydrophobicContact CG1-CG2 3.91Å; T676-I683 CarbonylContact O-C 3.52Å; T676-I683 VanDerWaalsContact O-CA 3.27Å; T676-I683 WeakPolarHBondContact O-CA 3.36Å; T676-R684 PolarHBondContact N-O 2.8Å; T676-R684 PolarHBondContact O-N 2.81Å; T676-W686 PolarHBondContact OG1-NE1 3.09Å |
| 677 | G | 95 | Very high | 83.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | V656 N657 C658 F708 | V656-G677 CarbonylContact C-O 3.59Å; N657-G677 PolarHBondContact N-O 2.85Å; C658-G677 PolarHBondContact N-O 3.29Å; C658-G677 PolarHBondContact O-N 3.41Å; G677-F708 VanDerWaalsContact CA-CZ 3.43Å |
| 678 | S | 93.4 | Very high | 85 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 161 | -170 | 171.7 | 0 | 0 | 0 | 0 | 112.8 | H652 G654 P655 D680 C681 T682 I705 | H652-S678 WeakPolarHBondContact ND1-CB 3.37Å; G654-S678 PolarHBondContact O-OG 3.24Å; P655-S678 VanDerWaalsContact O-CA 3.29Å; P655-S678 WeakPolarHBondContact O-CA 3.47Å; P655-S678 WeakPolarHBondContact O-CB 3.34Å; P655-S678 PolarHBondContact O-OG 2.84Å; S678-D680 VanDerWaalsContact CB-OD1 3.24Å; S678-D680 WeakPolarHBondContact CB-OD1 3.36Å; S678-D680 PolarHBondContact O-N 2.99Å; S678-D680 VanDerWaalsContact OG-CG 3.27Å; S678-D680 PolarHBondContact OG-N 3.42Å; S678-D680 VanDerWaalsContact OG-N 3.09Å; S678-D680 PolarHBondContact OG-OD1 3.38Å; S678-C681 PolarHBondContact O-N 3.37Å; S678-T682 PolarHBondContact N-O 2.89Å; S678-I705 PolarHBondContact O-N 3.23Å; S678-I705 VanDerWaalsContact O-N 3.11Å |
| 679 | D | 88.9 | Confident | 85.9 | Confident | 15 Ų | 15 | 22.4 Ų | 22.4 | 8% | 0.08 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.8 | 166.5 | -85.9 | -16.5 | 0 | 0 | 0 | 113.3 | P655 N657 C681 A811 | P655-D679 PolarHBondContact O-N 3.47Å; N657-D679 VanDerWaalsContact ND2-CG 3.3Å; N657-D679 PolarHBondContact ND2-OD1 3.49Å; D679-C681 PolarHBondContact O-N 3.17Å; D679-C681 VanDerWaalsContact O-N 3.17Å; D679-A811 HydrophobicContact CB-CB 3.7Å |
| 680 | D | 87.4 | Confident | 86.3 | Confident | 27 Ų | 27 | 25.8 Ų | 25.8 | 14% | 0.144 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 5.8 | 170.3 | 71.8 | 10.3 | 0 | 0 | 0 | 114 | H652 N653 S678 T682 | H652-D680 VanDerWaalsContact CA-OD2 3.25Å; H652-D680 WeakPolarHBondContact CA-OD2 3.41Å; H652-D680 WeakPolarHBondContact CB-OD2 3.37Å; H652-D680 IonicContact CE1-OD1 3.96Å; H652-D680 IonicContact CG-OD2 2.95Å; H652-D680 IonicContact ND1-OD1 3.35Å; H652-D680 PolarHBondContact ND1-OD1 3.47Å; H652-D680 IonicContact ND1-OD2 3.9Å; H652-D680 PolarHBondContact ND1-OD2 3.05Å; N653-D680 HydrophobicContact CB-CB 4.2Å; N653-D680 PolarHBondContact N-OD2 2.93Å; S678-D680 VanDerWaalsContact CB-OD1 3.24Å; S678-D680 WeakPolarHBondContact CB-OD1 3.36Å; S678-D680 PolarHBondContact O-N 2.99Å; S678-D680 VanDerWaalsContact OG-CG 3.27Å; S678-D680 PolarHBondContact OG-N 3.42Å; S678-D680 VanDerWaalsContact OG-N 3.09Å; S678-D680 PolarHBondContact OG-OD1 3.38Å; D680-T682 VanDerWaalsContact CG-OG1 3.23Å; D680-T682 PolarHBondContact O-N 3.1Å; D680-T682 WeakPolarHBondContact OD1-CA 3.47Å; D680-T682 VanDerWaalsContact OD1-CB 3.3Å; D680-T682 WeakPolarHBondContact OD1-CB 3.38Å; D680-T682 PolarHBondContact OD1-N 3Å; D680-T682 PolarHBondContact OD1-OG1 3.5Å; D680-T682 PolarHBondContact OD2-OG1 3.12Å |
| 681 | C | 91.3 | Very high | 85.8 | Confident | 19 Ų | 19 | 31.4 Ų | 31.4 | 13% | 0.128 | 16% | 0.158 | C | C | . | . | S | Bend | trans | 67.5 | 17.1 | -178.5 | -53 | 0 | 0 | 0 | 0 | 114.6 | S678 D679 N700 A701 G703 | S678-C681 PolarHBondContact O-N 3.37Å; D679-C681 PolarHBondContact O-N 3.17Å; D679-C681 VanDerWaalsContact O-N 3.17Å; C681-N700 PolarHBondContact O-OD1 3.13Å; C681-A701 PolarHBondContact O-N 3.37Å; C681-G703 VanDerWaalsContact CA-O 3.24Å; C681-G703 WeakPolarHBondContact CA-O 3.49Å; C681-G703 WeakPolarHBondContact CB-O 3.46Å |
| 682 | T | 90.2 | Very high | 84.8 | Confident | 7 Ų | 7 | 31.5 Ų | 31.5 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 148.8 | 178.9 | 72.8 | 0 | 0 | 0 | 0 | 113.2 | H652 S678 D680 T698 L699 | H652-T682 PolarHBondContact CE1-OG1 2.85Å; H652-T682 PolarHBondContact ND1-OG1 3.32Å; H652-T682 VanDerWaalsContact ND1-OG1 3.14Å; S678-T682 PolarHBondContact N-O 2.89Å; D680-T682 VanDerWaalsContact CG-OG1 3.23Å; D680-T682 PolarHBondContact O-N 3.1Å; D680-T682 WeakPolarHBondContact OD1-CA 3.47Å; D680-T682 VanDerWaalsContact OD1-CB 3.3Å; D680-T682 WeakPolarHBondContact OD1-CB 3.38Å; D680-T682 PolarHBondContact OD1-N 3Å; D680-T682 PolarHBondContact OD1-OG1 3.5Å; D680-T682 PolarHBondContact OD2-OG1 3.12Å; T682-T698 HydrophobicContact CG2-CG2 4.27Å; T682-L699 CarbonylContact C-O 3.48Å; T682-L699 WeakPolarHBondContact CA-O 3Å |
| 683 | I | 94.5 | Very high | 83.2 | Confident | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 126.9 | 164.8 | -56.3 | 175 | 0 | 0 | 0 | 107 | I675 T676 T698 L699 I705 F708 L717 A719 Y728 | I675-I683 HydrophobicContact CG2-CG2 3.73Å; T676-I683 CarbonylContact O-C 3.52Å; T676-I683 VanDerWaalsContact O-CA 3.27Å; T676-I683 WeakPolarHBondContact O-CA 3.36Å; I683-T698 CarbonylContact O-C 3.58Å; I683-T698 WeakPolarHBondContact O-CA 3.49Å; I683-L699 HydrophobicContact CB-CB 4.26Å; I683-L699 PolarHBondContact N-O 2.84Å; I683-L699 PolarHBondContact O-N 2.95Å; I683-I705 HydrophobicContact CD1-CD1 4.07Å; I683-I705 HydrophobicContact CG1-CD1 3.74Å; I683-I705 HydrophobicContact CG1-CG1 3.94Å; I683-F708 HydrophobicContact CB-CZ 4.32Å; I683-F708 HydrophobicContact CD1-CE1 3.85Å; I683-F708 HydrophobicContact CD1-CZ 4.21Å; I683-F708 HydrophobicContact CG1-CE1 3.99Å; I683-F708 HydrophobicContact CG1-CZ 3.87Å; I683-F708 HydrophobicContact CG2-CE1 4.36Å; I683-F708 HydrophobicContact CG2-CZ 3.79Å; I683-L717 HydrophobicContact CD1-CD2 4.09Å; I683-L717 HydrophobicContact CG2-CD2 3.96Å; I683-A719 HydrophobicContact CD1-CB 3.79Å; I683-Y728 HydrophobicContact CD1-CD2 3.89Å; I683-Y728 HydrophobicContact CD1-CE2 3.54Å |
| 684 | R | 93.1 | Very high | 82.7 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 12% | 0.117 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 137.6 | 177.1 | -68.9 | 179.6 | 175.7 | -103.1 | 0.9 | 110.3 | G651 I675 T676 W686 L697 T698 | G651-R684 PolarHBondContact O-NE 3.07Å; G651-R684 PolarHBondContact O-NH2 3.02Å; I675-R684 CarbonylContact C-O 3.52Å; I675-R684 WeakPolarHBondContact CA-O 3.42Å; T676-R684 PolarHBondContact N-O 2.8Å; T676-R684 PolarHBondContact O-N 2.81Å; R684-W686 HydrophobicContact CB-CZ2 3.63Å; R684-W686 HydrophobicContact CG-CZ2 4.13Å; R684-L697 WeakPolarHBondContact CA-O 3.41Å; R684-T698 HydrophobicContact CG-CG2 4.01Å; R684-T698 PolarHBondContact NH1-OG1 3.5Å |
| 685 | I | 92.7 | Very high | 82.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 123.6 | 176.4 | -49.5 | -177.1 | 0 | 0 | 0 | 108.3 | E673 W674 I675 C695 R696 L697 L730 | E673-I685 HydrophobicContact CB-CG2 3.89Å; E673-I685 HydrophobicContact CG-CG2 4.33Å; E673-I685 VanDerWaalsContact OE2-CG2 3.3Å; E673-I685 WeakPolarHBondContact OE2-CG2 3.39Å; W674-I685 CarbonylContact O-C 3.54Å; W674-I685 WeakPolarHBondContact O-CA 3.46Å; I675-I685 HydrophobicContact CG1-CG1 4.27Å; I675-I685 HydrophobicContact CG1-CG2 4.18Å; I685-C695 CarbonylContact O-C 3.59Å; I685-R696 PolarHBondContact O-N 2.8Å; I685-L697 HydrophobicContact CB-CB 4.21Å; I685-L697 HydrophobicContact CD1-CB 4.24Å; I685-L697 HydrophobicContact CD1-CD2 3.89Å; I685-L697 HydrophobicContact CG1-CB 4.3Å; I685-L697 PolarHBondContact N-O 3.44Å; I685-L697 PolarHBondContact O-N 3.4Å; I685-L730 HydrophobicContact CD1-CD2 4.12Å; I685-L730 VanDerWaalsContact CD1-O 3.3Å; I685-L730 WeakPolarHBondContact CD1-O 3.37Å |
| 686 | W | 91.1 | Very high | 81.9 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 132.8 | -174.2 | -43 | 85 | 0 | 0 | 0 | 110.3 | I631 L649 V650 E673 W674 T676 R684 I694 C695 | I631-W686 HydrophobicContact CD1-CZ2 4.33Å; L649-W686 HydrophobicContact CB-CD2 3.98Å; L649-W686 HydrophobicContact CB-CE3 3.97Å; L649-W686 HydrophobicContact CB-CH2 4.23Å; L649-W686 HydrophobicContact CB-CZ2 4.25Å; L649-W686 HydrophobicContact CB-CZ3 4.08Å; L649-W686 HydrophobicContact CD1-CB 4.07Å; L649-W686 HydrophobicContact CD1-CD2 4.06Å; L649-W686 HydrophobicContact CD1-CG 3.75Å; L649-W686 HydrophobicContact CG-CD2 4.49Å; V650-W686 WeakPolarHBondContact O-CH2 3.27Å; E673-W686 CarbonylContact C-O 3.57Å; E673-W686 WeakPolarHBondContact CA-O 2.92Å; E673-W686 WeakPolarHBondContact CB-O 3.49Å; W674-W686 HydrophobicContact CB-CB 4.18Å; W674-W686 PolarHBondContact N-O 3.1Å; W674-W686 VanDerWaalsContact O-CD1 3.31Å; W674-W686 PolarHBondContact O-N 3.46Å; T676-W686 PolarHBondContact OG1-NE1 3.09Å; R684-W686 HydrophobicContact CB-CZ2 3.63Å; R684-W686 HydrophobicContact CG-CZ2 4.13Å; W686-I694 CarbonylContact C-O 3.48Å; W686-I694 WeakPolarHBondContact CA-O 3.48Å; W686-I694 HydrophobicContact CB-CG2 4.42Å; W686-I694 VanDerWaalsContact CB-O 3.26Å; W686-I694 WeakPolarHBondContact CB-O 3.41Å; W686-I694 HydrophobicContact CD2-CG2 4.38Å; W686-I694 HydrophobicContact CE3-CB 4.07Å; W686-I694 HydrophobicContact CE3-CG2 3.53Å; W686-I694 HydrophobicContact CZ3-CB 4.49Å; W686-I694 HydrophobicContact CZ3-CG2 4.19Å; W686-C695 HydrophobicContact CD2-CB 4.27Å; W686-C695 HydrophobicContact CE3-CB 3.45Å; W686-C695 VanDerWaalsContact CE3-CB 3.45Å; W686-C695 HydrophobicContact CH2-CB 4.3Å; W686-C695 HydrophobicContact CZ3-CB 3.49Å; W686-C695 VanDerWaalsContact CZ3-CB 3.49Å |
| 687 | K | 86.5 | Confident | 81.5 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 30% | 0.3 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 142.4 | 172.1 | -61.4 | 178.9 | 179 | 170.9 | 0 | 109 | V689 I694 R696 | K687-V689 VanDerWaalsContact C-N 3.34Å; K687-V689 HydrophobicContact CB-CG2 3.81Å; K687-V689 HydrophobicContact CD-CG2 4.46Å; K687-V689 PolarHBondContact O-N 3.35Å; K687-V689 VanDerWaalsContact O-N 3.15Å; K687-I694 PolarHBondContact N-O 3Å; K687-R696 HydrophobicContact CG-CB 4.15Å |
| 688 | T | 78.5 | Confident | 81.3 | Confident | 11 Ų | 11 | 51.1 Ų | 51.1 | 7% | 0.067 | 28% | 0.279 | C | S | . | . | trans | -81.8 | 86.7 | 167.3 | -48.9 | 0 | 0 | 0 | 0 | 107.2 | L619 I621 Q671 G672 W674 | L619-T688 HydrophobicContact CD1-CG2 3.57Å; I621-T688 HydrophobicContact CD1-CG2 3.87Å; Q671-T688 HydrophobicContact CB-CG2 4.45Å; Q671-T688 WeakPolarHBondContact CB-O 3.42Å; Q671-T688 WeakPolarHBondContact O-CB 3.3Å; Q671-T688 PolarHBondContact OE1-O 2.86Å; G672-T688 VanDerWaalsContact O-CB 3.32Å; G672-T688 WeakPolarHBondContact O-CB 3.25Å; G672-T688 PolarHBondContact O-N 3.29Å; G672-T688 VanDerWaalsContact O-N 3.1Å; G672-T688 PolarHBondContact O-OG1 3.14Å; W674-T688 PolarHBondContact NE1-OG1 2.91Å | ||
| 689 | V | 69.5 | Low | 81.2 | Confident | 76 Ų | 76 | 52 Ų | 52 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | trans | -132.2 | 141.5 | 174.1 | -171.2 | 0 | 0 | 0 | 0 | 107.8 | K687 E691 | K687-V689 VanDerWaalsContact C-N 3.34Å; K687-V689 HydrophobicContact CB-CG2 3.81Å; K687-V689 HydrophobicContact CD-CG2 4.46Å; K687-V689 PolarHBondContact O-N 3.35Å; K687-V689 VanDerWaalsContact O-N 3.15Å; V689-E691 PolarHBondContact O-N 2.88Å | ||
| 690 | N | 62.8 | Low | 81.2 | Confident | 139 Ų | 139 | 54.7 Ų | 54.7 | 74% | 0.743 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -65.5 | -25 | 179.7 | -71 | -6.4 | 0 | 0 | 0 | 112.8 | ||
| 691 | E | 54.3 | Low | 81.3 | Confident | 168 Ų | 168 | 53.4 Ų | 53.4 | 79% | 0.785 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -141.1 | 130.5 | -168.2 | -62.4 | -177.2 | 176.6 | 0 | 0 | 113 | V689 E693 | V689-E691 PolarHBondContact O-N 2.88Å; E691-E693 PolarHBondContact O-N 3.32Å |
| 692 | G | 51.6 | Low | 81 | Confident | 79 Ų | 79 | 58.8 Ų | 58.8 | 81% | 0.814 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 101.8 | -52.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 693 | E | 52.2 | Low | 80.9 | Confident | 146 Ų | 146 | 58.9 Ų | 58.9 | 68% | 0.682 | 32% | 0.321 | S | S | * | . | trans | -135.1 | 97 | -174.5 | -73.3 | -171.2 | 167.6 | 0 | 0 | 112.2 | E691 | E691-E693 PolarHBondContact O-N 3.32Š| ||
| 694 | I | 79.2 | Confident | 80.6 | Confident | 64 Ų | 64 | 59.3 Ų | 59.3 | 33% | 0.328 | 32% | 0.324 | S | S | . | . | trans | -84.2 | -44.5 | -167.8 | -46.7 | 179.5 | 0 | 0 | 0 | 111.2 | L649 W686 K687 | L649-I694 HydrophobicContact CB-CG2 4.37Å; L649-I694 HydrophobicContact CD2-CG2 3.29Å; L649-I694 HydrophobicContact CG-CG2 4.37Å; W686-I694 CarbonylContact C-O 3.48Å; W686-I694 WeakPolarHBondContact CA-O 3.48Å; W686-I694 HydrophobicContact CB-CG2 4.42Å; W686-I694 VanDerWaalsContact CB-O 3.26Å; W686-I694 WeakPolarHBondContact CB-O 3.41Å; W686-I694 HydrophobicContact CD2-CG2 4.38Å; W686-I694 HydrophobicContact CE3-CB 4.07Å; W686-I694 HydrophobicContact CE3-CG2 3.53Å; W686-I694 HydrophobicContact CZ3-CB 4.49Å; W686-I694 HydrophobicContact CZ3-CG2 4.19Å; K687-I694 PolarHBondContact N-O 3Å | ||
| 695 | C | 85 | Confident | 80.7 | Confident | 47 Ų | 47 | 57.9 Ų | 57.9 | 32% | 0.318 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 108.9 | -173 | -165.9 | 0 | 0 | 0 | 0 | 111.4 | I685 W686 | I685-C695 CarbonylContact O-C 3.59Å; W686-C695 HydrophobicContact CD2-CB 4.27Å; W686-C695 HydrophobicContact CE3-CB 3.45Å; W686-C695 VanDerWaalsContact CE3-CB 3.45Å; W686-C695 HydrophobicContact CH2-CB 4.3Å; W686-C695 HydrophobicContact CZ3-CB 3.49Å; W686-C695 VanDerWaalsContact CZ3-CB 3.49Å |
| 696 | R | 86 | Confident | 80.7 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -41.2 | 178.2 | -178.5 | 178.2 | 62.6 | 75.6 | -5.3 | 112.8 | E673 I685 K687 L730 L731 | E673-R696 IonicContact OE1-CZ 3.87Å; E673-R696 IonicContact OE1-NE 2.77Å; E673-R696 PolarHBondContact OE1-NE 3.33Å; E673-R696 IonicContact OE1-NH2 3.97Å; E673-R696 PolarHBondContact OE1-NH2 2.95Å; E673-R696 IonicContact OE2-CZ 3.68Å; E673-R696 IonicContact OE2-NE 2.76Å; E673-R696 IonicContact OE2-NH2 3.49Å; E673-R696 PolarHBondContact OE2-NH2 2.67Å; I685-R696 PolarHBondContact O-N 2.8Å; K687-R696 HydrophobicContact CG-CB 4.15Å; R696-L730 PolarHBondContact NH2-O 2.9Å; R696-L731 PolarHBondContact NH1-O 2.85Å |
| 697 | L | 88.2 | Confident | 80.8 | Confident | 39 Ų | 39 | 59.2 Ų | 59.2 | 20% | 0.204 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 137.6 | -170.5 | -172.4 | 61.2 | 0 | 0 | 0 | 110.6 | R684 I685 L699 | R684-L697 WeakPolarHBondContact CA-O 3.41Å; I685-L697 HydrophobicContact CB-CB 4.21Å; I685-L697 HydrophobicContact CD1-CB 4.24Å; I685-L697 HydrophobicContact CD1-CD2 3.89Å; I685-L697 HydrophobicContact CG1-CB 4.3Å; I685-L697 PolarHBondContact N-O 3.44Å; I685-L697 PolarHBondContact O-N 3.4Å; L697-L699 HydrophobicContact CD1-CD2 4.02Å; L697-L699 HydrophobicContact CD2-CD1 4.32Å; L697-L699 HydrophobicContact CD2-CD2 3.79Å; L697-L699 HydrophobicContact CD2-CG 4.19Å; L697-L699 HydrophobicContact CG-CD2 3.72Å; L697-L699 HydrophobicContact CG-CG 4.09Å |
| 698 | T | 91.1 | Very high | 81.2 | Confident | 55 Ų | 55 | 56 Ų | 56 | 34% | 0.337 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 123.6 | 171.4 | -59.2 | 0 | 0 | 0 | 0 | 108.6 | T682 I683 R684 | T682-T698 HydrophobicContact CG2-CG2 4.27Å; I683-T698 CarbonylContact O-C 3.58Å; I683-T698 WeakPolarHBondContact O-CA 3.49Å; R684-T698 HydrophobicContact CG-CG2 4.01Å; R684-T698 PolarHBondContact NH1-OG1 3.5Å |
| 699 | L | 90.6 | Very high | 82 | Confident | 19 Ų | 19 | 58.4 Ų | 58.4 | 10% | 0.099 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 130.2 | -178.2 | -53.3 | 175.2 | 0 | 0 | 0 | 109.4 | T682 I683 L697 Y728 G733 | T682-L699 CarbonylContact C-O 3.48Å; T682-L699 WeakPolarHBondContact CA-O 3Å; I683-L699 HydrophobicContact CB-CB 4.26Å; I683-L699 PolarHBondContact N-O 2.84Å; I683-L699 PolarHBondContact O-N 2.95Å; L697-L699 HydrophobicContact CD1-CD2 4.02Å; L697-L699 HydrophobicContact CD2-CD1 4.32Å; L697-L699 HydrophobicContact CD2-CD2 3.79Å; L697-L699 HydrophobicContact CD2-CG 4.19Å; L697-L699 HydrophobicContact CG-CD2 3.72Å; L697-L699 HydrophobicContact CG-CG 4.09Å; L699-Y728 HydrophobicContact CD1-CD1 3.84Å; L699-Y728 HydrophobicContact CD1-CE1 4.31Å; L699-Y728 HydrophobicContact CD1-CG 4.41Å; L699-G733 VanDerWaalsContact CD2-CA 3.41Å |
| 700 | N | 89.5 | Confident | 83.2 | Confident | 72 Ų | 72 | 55.7 Ų | 55.7 | 39% | 0.385 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 118.4 | 171.3 | -170.6 | -10.1 | 0 | 0 | 0 | 109.5 | C681 N702 | C681-N700 PolarHBondContact O-OD1 3.13Å; N700-N702 PolarHBondContact OD1-N 3.1Å; N700-N702 PolarHBondContact OD1-OD1 3.02Å |
| 701 | A | 88.6 | Confident | 84.6 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | trans | -90.6 | -6.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C681 G703 I705 V721 K726 Y728 | C681-A701 PolarHBondContact O-N 3.37Å; A701-G703 PolarHBondContact O-N 3.16Å; A701-I705 HydrophobicContact CB-CD1 3.44Å; A701-I705 VanDerWaalsContact CB-CD1 3.44Å; A701-V721 HydrophobicContact CB-CG1 3.91Å; A701-V721 HydrophobicContact CB-CG2 4.06Å; A701-K726 PolarHBondContact O-NZ 2.88Å; A701-Y728 WeakPolarHBondContact CA-OH 3.37Å; A701-Y728 WeakPolarHBondContact CB-OH 3.3Å | ||
| 702 | N | 86.4 | Confident | 86.2 | Confident | 132 Ų | 132 | 47.4 Ų | 47.4 | 71% | 0.706 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 58.8 | 20.3 | -176 | -58.8 | -29 | 0 | 0 | 0 | 114.5 | N700 | N700-N702 PolarHBondContact OD1-N 3.1Å; N700-N702 PolarHBondContact OD1-OD1 3.02Å |
| 703 | G | 87.2 | Confident | 87.9 | Confident | 8 Ų | 8 | 49.4 Ų | 49.4 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -170.3 | 159 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | C681 A701 I705 V721 | C681-G703 VanDerWaalsContact CA-O 3.24Å; C681-G703 WeakPolarHBondContact CA-O 3.49Å; C681-G703 WeakPolarHBondContact CB-O 3.46Å; A701-G703 PolarHBondContact O-N 3.16Å; G703-I705 PolarHBondContact O-N 2.8Å; G703-V721 WeakPolarHBondContact O-CG1 3.33Å |
| 704 | P | 88.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.065 | 22% | 0.221 | C | C | . | . | trans | -63.3 | 134.9 | -178.6 | 27.1 | -36.3 | 0 | 0 | 0 | 111.1 | D722 | P704-D722 HydrophobicContact CG-CB 4.23Å; P704-D722 PolarHBondContact O-N 3.48Å | ||
| 705 | I | 94.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 126.1 | 176.9 | -46.7 | -60 | 0 | 0 | 0 | 109.5 | N657 C658 S678 I683 A701 G703 F708 G720 V721 | N657-I705 WeakPolarHBondContact CB-O 3.43Å; N657-I705 PolarHBondContact ND2-O 3.23Å; C658-I705 WeakPolarHBondContact SG-CG2 3.49Å; S678-I705 PolarHBondContact O-N 3.23Å; S678-I705 VanDerWaalsContact O-N 3.11Å; I683-I705 HydrophobicContact CD1-CD1 4.07Å; I683-I705 HydrophobicContact CG1-CD1 3.74Å; I683-I705 HydrophobicContact CG1-CG1 3.94Å; A701-I705 HydrophobicContact CB-CD1 3.44Å; A701-I705 VanDerWaalsContact CB-CD1 3.44Å; G703-I705 PolarHBondContact O-N 2.8Å; I705-F708 HydrophobicContact CG2-CD1 4.04Å; I705-F708 HydrophobicContact CG2-CE1 3.45Å; I705-F708 VanDerWaalsContact CG2-CE1 3.45Å; I705-F708 HydrophobicContact CG2-CZ 3.77Å; I705-G720 WeakPolarHBondContact CA-O 3.46Å; I705-V721 HydrophobicContact CD1-CB 4.48Å; I705-V721 HydrophobicContact CD1-CG1 4.36Å; I705-V721 HydrophobicContact CD1-CG2 3.71Å |
| 706 | T | 92.7 | Very high | 90.2 | Very high | 22 Ų | 22 | 43 Ų | 43 | 14% | 0.135 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | -29.6 | -176.5 | 57.6 | 0 | 0 | 0 | 0 | 113.9 | G720 V745 I746 | T706-G720 PolarHBondContact N-O 3.12Å; T706-G720 PolarHBondContact OG1-O 2.95Å; T706-V745 HydrophobicContact CG2-CG1 3.38Å; T706-I746 WeakPolarHBondContact CB-O 3.46Å; T706-I746 PolarHBondContact OG1-O 3.28Å |
| 707 | C | 94.4 | Very high | 90.7 | Very high | 10 Ų | 10 | 39.3 Ų | 39.3 | 7% | 0.068 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 158 | -179.7 | 58.2 | 0 | 0 | 0 | 0 | 111.9 | G720 | C707-G720 PolarHBondContact O-N 3.18Å |
| 708 | F | 94.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 37.5 Ų | 37.5 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 151 | 175.3 | -74.1 | -36.8 | 0 | 0 | 0 | 112.7 | C658 V660 I675 G677 I683 I705 L717 L718 A719 | C658-F708 HydrophobicContact CB-CD2 3.91Å; C658-F708 HydrophobicContact CB-CE2 4.46Å; C658-F708 HydrophobicContact CB-CG 4.29Å; C658-F708 WeakPolarHBondContact SG-CD2 3.43Å; C658-F708 WeakPolarHBondContact SG-CE2 3.17Å; V660-F708 HydrophobicContact CG1-CB 3.74Å; V660-F708 HydrophobicContact CG2-CB 4.15Å; V660-F708 HydrophobicContact CG2-CD2 4.09Å; V660-F708 HydrophobicContact CG2-CG 4.43Å; I675-F708 HydrophobicContact CG2-CD2 4.44Å; I675-F708 HydrophobicContact CG2-CE2 3.91Å; I675-F708 HydrophobicContact CG2-CZ 4.18Å; G677-F708 VanDerWaalsContact CA-CZ 3.43Å; I683-F708 HydrophobicContact CB-CZ 4.32Å; I683-F708 HydrophobicContact CD1-CE1 3.85Å; I683-F708 HydrophobicContact CD1-CZ 4.21Å; I683-F708 HydrophobicContact CG1-CE1 3.99Å; I683-F708 HydrophobicContact CG1-CZ 3.87Å; I683-F708 HydrophobicContact CG2-CE1 4.36Å; I683-F708 HydrophobicContact CG2-CZ 3.79Å; I705-F708 HydrophobicContact CG2-CD1 4.04Å; I705-F708 HydrophobicContact CG2-CE1 3.45Å; I705-F708 VanDerWaalsContact CG2-CE1 3.45Å; I705-F708 HydrophobicContact CG2-CZ 3.77Å; F708-L717 HydrophobicContact CB-CD1 4.1Å; F708-L717 HydrophobicContact CD1-CD1 3.85Å; F708-L717 HydrophobicContact CD1-CD2 4.12Å; F708-L717 HydrophobicContact CD1-CG 4.15Å; F708-L717 HydrophobicContact CE1-CD1 4.4Å; F708-L717 HydrophobicContact CE1-CD2 3.85Å; F708-L717 HydrophobicContact CE1-CG 4.38Å; F708-L717 HydrophobicContact CG-CD1 3.97Å; F708-L717 HydrophobicContact CZ-CD2 4.31Å; F708-L718 WeakPolarHBondContact CA-O 3.31Å; F708-A719 HydrophobicContact CD1-CB 3.82Å; F708-A719 HydrophobicContact CE1-CB 3.65Å |
| 709 | R | 95.3 | Very high | 91.4 | Very high | 63 Ų | 63 | 34.9 Ų | 34.9 | 24% | 0.238 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 141.7 | 157.3 | -68.3 | -62.6 | 178.6 | -104.3 | 1.5 | 110.8 | L718 I749 I751 | R709-L718 PolarHBondContact N-O 3.26Å; R709-L718 PolarHBondContact O-N 3.4Å; R709-I749 HydrophobicContact CB-CG2 4.28Å; R709-I749 WeakPolarHBondContact CD-O 3.42Å; R709-I749 HydrophobicContact CG-CB 3.93Å; R709-I749 HydrophobicContact CG-CG2 3.98Å; R709-I749 WeakPolarHBondContact CG-O 3.3Å; R709-I749 PolarHBondContact NE-O 3.14Å; R709-I749 PolarHBondContact NH2-O 3.47Å; R709-I751 HydrophobicContact CB-CD1 3.63Å; R709-I751 HydrophobicContact CB-CG1 4.02Å |
| 710 | L | 94.3 | Very high | 91.6 | Very high | 18 Ų | 18 | 34 Ų | 34 | 9% | 0.094 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.8 | 173.4 | -74.3 | 173 | 0 | 0 | 0 | 109.6 | V660 F661 N662 I675 F712 L717 L730 I751 | V660-L710 HydrophobicContact CB-CD1 3.97Å; V660-L710 HydrophobicContact CB-CG 4.25Å; V660-L710 HydrophobicContact CG2-CD1 3.76Å; V660-L710 HydrophobicContact CG2-CD2 4.4Å; V660-L710 HydrophobicContact CG2-CG 3.79Å; F661-L710 VanDerWaalsContact O-CD1 3.22Å; F661-L710 WeakPolarHBondContact O-CD1 3.35Å; N662-L710 HydrophobicContact CB-CD1 3.86Å; I675-L710 HydrophobicContact CD1-CD1 4.19Å; I675-L710 HydrophobicContact CD1-CD2 3.76Å; I675-L710 HydrophobicContact CD1-CG 4.47Å; L710-F712 HydrophobicContact CB-CE1 3.97Å; L710-F712 HydrophobicContact CB-CZ 4Å; L710-F712 HydrophobicContact CD1-CE1 4.02Å; L710-F712 HydrophobicContact CD1-CZ 4.23Å; L710-L717 HydrophobicContact CD2-CB 4.19Å; L710-L717 HydrophobicContact CD2-CD1 3.7Å; L710-L717 HydrophobicContact CG-CD1 4.25Å; L710-L730 HydrophobicContact CD2-CD1 3.61Å; L710-L730 HydrophobicContact CD2-CD2 4.45Å; L710-I751 WeakPolarHBondContact O-CD1 3.46Å |
| 711 | D | 92.7 | Very high | 91.9 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 2% | 0.016 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 101.7 | 167.6 | -175.4 | -20.6 | 0 | 0 | 0 | 108.4 | K713 R714 N715 I716 L718 I751 Y758 | D711-K713 VanDerWaalsContact C-N 3.34Å; D711-K713 WeakPolarHBondContact OD1-CA 3.33Å; D711-K713 VanDerWaalsContact OD1-CB 3.29Å; D711-K713 WeakPolarHBondContact OD1-CB 3.05Å; D711-K713 PolarHBondContact OD1-N 3.47Å; D711-R714 PolarHBondContact O-N 3.12Å; D711-R714 PolarHBondContact OD1-N 2.75Å; D711-R714 IonicContact OD1-NH1 3.92Å; D711-R714 VanDerWaalsContact OD2-CD 3.28Å; D711-R714 WeakPolarHBondContact OD2-CD 3.26Å; D711-R714 IonicContact OD2-CZ 3.81Å; D711-R714 IonicContact OD2-NE 3.94Å; D711-R714 IonicContact OD2-NH1 3.94Å; D711-R714 PolarHBondContact OD2-NH1 3.04Å; D711-N715 VanDerWaalsContact O-CA 3.23Å; D711-N715 WeakPolarHBondContact O-CA 3.3Å; D711-N715 PolarHBondContact O-N 2.95Å; D711-I716 HydrophobicContact CB-CD1 4.37Å; D711-I716 HydrophobicContact CB-CG1 3.77Å; D711-I716 PolarHBondContact N-O 3.3Å; D711-I716 PolarHBondContact O-N 3.25Å; D711-L718 HydrophobicContact CB-CD1 4.04Å; D711-I751 HydrophobicContact CB-CD1 3.85Å; D711-Y758 PolarHBondContact OD2-OH 3.42Å |
| 712 | F | 88.5 | Confident | 92 | Very high | 130 Ų | 130 | 33.4 Ų | 33.4 | 57% | 0.57 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -29.4 | 179.1 | -60.3 | -63 | 0 | 0 | 0 | 113 | P663 L710 R714 | P663-F712 HydrophobicContact CG-CE1 4.15Å; L710-F712 HydrophobicContact CB-CE1 3.97Å; L710-F712 HydrophobicContact CB-CZ 4Å; L710-F712 HydrophobicContact CD1-CE1 4.02Å; L710-F712 HydrophobicContact CD1-CZ 4.23Å; F712-R714 PolarHBondContact O-N 2.9Å |
| 713 | K | 86.3 | Confident | 92.2 | Very high | 122 Ų | 122 | 31.2 Ų | 31.2 | 53% | 0.53 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -34 | 177.8 | -176.2 | -177.2 | -176.9 | -177.3 | 0 | 110.6 | D711 A753 D756 | D711-K713 VanDerWaalsContact C-N 3.34Å; D711-K713 WeakPolarHBondContact OD1-CA 3.33Å; D711-K713 VanDerWaalsContact OD1-CB 3.29Å; D711-K713 WeakPolarHBondContact OD1-CB 3.05Å; D711-K713 PolarHBondContact OD1-N 3.47Å; K713-A753 HydrophobicContact CD-CB 4.47Å; K713-A753 PolarHBondContact NZ-O 2.77Å; K713-D756 IonicContact NZ-OD1 3.22Å; K713-D756 PolarHBondContact NZ-OD1 2.89Å |
| 714 | R | 86.7 | Confident | 92.6 | Very high | 44 Ų | 44 | 33.4 Ų | 33.4 | 17% | 0.166 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | -7.2 | -177.1 | -63.2 | 175.5 | 179.3 | 80.7 | 7.3 | 114.2 | D711 F712 I716 D756 W773 | D711-R714 PolarHBondContact O-N 3.12Å; D711-R714 PolarHBondContact OD1-N 2.75Å; D711-R714 IonicContact OD1-NH1 3.92Å; D711-R714 VanDerWaalsContact OD2-CD 3.28Å; D711-R714 WeakPolarHBondContact OD2-CD 3.26Å; D711-R714 IonicContact OD2-CZ 3.81Å; D711-R714 IonicContact OD2-NE 3.94Å; D711-R714 IonicContact OD2-NH1 3.94Å; D711-R714 PolarHBondContact OD2-NH1 3.04Å; F712-R714 PolarHBondContact O-N 2.9Å; R714-I716 HydrophobicContact CB-CD1 3.84Å; R714-I716 HydrophobicContact CB-CG1 3.83Å; R714-I716 PolarHBondContact O-N 3.46Å; R714-D756 IonicContact CZ-OD1 2.65Å; R714-D756 IonicContact NH1-OD1 3.59Å; R714-D756 IonicContact NH2-OD1 2.8Å; R714-D756 PolarHBondContact NH2-OD1 2.98Å; R714-D756 IonicContact NH2-OD2 3.96Å; R714-W773 WeakPolarHBondContact CD-O 3.46Å; R714-W773 PolarHBondContact NE-O 3.41Å |
| 715 | N | 87 | Confident | 93 | Very high | 75 Ų | 75 | 33 Ų | 33 | 40% | 0.401 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52 | 48.9 | -174.6 | -164.8 | 22.8 | 0 | 0 | 0 | 113.6 | D711 | D711-N715 VanDerWaalsContact O-CA 3.23Å; D711-N715 WeakPolarHBondContact O-CA 3.3Å; D711-N715 PolarHBondContact O-N 2.95Å |
| 716 | I | 91.9 | Very high | 93 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.01 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 155.2 | -179.1 | 57.2 | 179.8 | 0 | 0 | 0 | 111.3 | D711 R714 L718 I727 Y728 Y736 Y758 W773 | D711-I716 HydrophobicContact CB-CD1 4.37Å; D711-I716 HydrophobicContact CB-CG1 3.77Å; D711-I716 PolarHBondContact N-O 3.3Å; D711-I716 PolarHBondContact O-N 3.25Å; R714-I716 HydrophobicContact CB-CD1 3.84Å; R714-I716 HydrophobicContact CB-CG1 3.83Å; R714-I716 PolarHBondContact O-N 3.46Å; I716-L718 HydrophobicContact CG1-CD1 4.49Å; I716-I727 HydrophobicContact CB-CG2 3.8Å; I716-I727 HydrophobicContact CD1-CG2 3.55Å; I716-I727 HydrophobicContact CG1-CG2 4.05Å; I716-I727 HydrophobicContact CG2-CG2 4.2Å; I716-Y728 WeakPolarHBondContact CA-O 3.32Å; I716-Y736 HydrophobicContact CG2-CD2 3.85Å; I716-Y736 HydrophobicContact CG2-CE2 3.73Å; I716-Y758 VanDerWaalsContact CD1-OH 3.28Å; I716-Y758 WeakPolarHBondContact CD1-OH 3.43Å; I716-W773 HydrophobicContact CD1-CB 4.38Å; I716-W773 HydrophobicContact CD1-CE3 4.14Å; I716-W773 HydrophobicContact CG2-CE3 4.48Å; I716-W773 HydrophobicContact CG2-CZ3 4.35Å |
| 717 | L | 95.2 | Very high | 93.2 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.7 | 173.6 | 178.8 | 73.4 | 0 | 0 | 0 | 110.7 | V660 I675 I683 F708 L710 I727 Y728 L730 | V660-L717 HydrophobicContact CG2-CD1 4.11Å; I675-L717 HydrophobicContact CG2-CD1 4.27Å; I675-L717 HydrophobicContact CG2-CD2 3.75Å; I683-L717 HydrophobicContact CD1-CD2 4.09Å; I683-L717 HydrophobicContact CG2-CD2 3.96Å; F708-L717 HydrophobicContact CB-CD1 4.1Å; F708-L717 HydrophobicContact CD1-CD1 3.85Å; F708-L717 HydrophobicContact CD1-CD2 4.12Å; F708-L717 HydrophobicContact CD1-CG 4.15Å; F708-L717 HydrophobicContact CE1-CD1 4.4Å; F708-L717 HydrophobicContact CE1-CD2 3.85Å; F708-L717 HydrophobicContact CE1-CG 4.38Å; F708-L717 HydrophobicContact CG-CD1 3.97Å; F708-L717 HydrophobicContact CZ-CD2 4.31Å; L710-L717 HydrophobicContact CD2-CB 4.19Å; L710-L717 HydrophobicContact CD2-CD1 3.7Å; L710-L717 HydrophobicContact CG-CD1 4.25Å; L717-I727 CarbonylContact O-C 3.48Å; L717-I727 VanDerWaalsContact O-CA 3.31Å; L717-I727 WeakPolarHBondContact O-CA 3.35Å; L717-Y728 PolarHBondContact N-O 3.29Å; L717-Y728 PolarHBondContact O-N 2.89Å; L717-L730 HydrophobicContact CB-CD2 3.69Å; L717-L730 HydrophobicContact CB-CG 4.26Å; L717-L730 HydrophobicContact CD2-CD2 4.28Å; L717-L730 HydrophobicContact CG-CD2 4.5Å |
| 718 | L | 96.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 119.1 | 165.2 | -67.1 | 87.1 | 0 | 0 | 0 | 108.8 | F708 R709 D711 I716 I725 I749 I751 Y758 | F708-L718 WeakPolarHBondContact CA-O 3.31Å; R709-L718 PolarHBondContact N-O 3.26Å; R709-L718 PolarHBondContact O-N 3.4Å; D711-L718 HydrophobicContact CB-CD1 4.04Å; I716-L718 HydrophobicContact CG1-CD1 4.49Å; L718-I725 HydrophobicContact CB-CG2 4.27Å; L718-I725 HydrophobicContact CD2-CG2 4.35Å; L718-I749 HydrophobicContact CB-CD1 4.47Å; L718-I749 HydrophobicContact CB-CG2 4.38Å; L718-I749 HydrophobicContact CD2-CG2 4.02Å; L718-I751 HydrophobicContact CD1-CD1 4.04Å; L718-I751 HydrophobicContact CD1-CG1 4.3Å; L718-Y758 HydrophobicContact CD1-CE1 4.18Å; L718-Y758 HydrophobicContact CD2-CD1 3.71Å; L718-Y758 HydrophobicContact CD2-CD2 3.5Å; L718-Y758 HydrophobicContact CD2-CE1 3.98Å; L718-Y758 HydrophobicContact CD2-CE2 3.74Å; L718-Y758 HydrophobicContact CD2-CG 3.47Å; L718-Y758 VanDerWaalsContact CD2-CG 3.47Å; L718-Y758 HydrophobicContact CG-CE2 4.45Å |
| 719 | A | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 124.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | I683 F708 V721 I725 K726 Y728 | I683-A719 HydrophobicContact CD1-CB 3.79Å; F708-A719 HydrophobicContact CD1-CB 3.82Å; F708-A719 HydrophobicContact CE1-CB 3.65Å; A719-V721 HydrophobicContact CB-CG2 3.98Å; A719-V721 PolarHBondContact O-N 3.07Å; A719-I725 CarbonylContact O-C 3.59Å; A719-I725 WeakPolarHBondContact O-CA 3.46Å; A719-K726 PolarHBondContact N-O 3.23Å; A719-K726 PolarHBondContact O-N 3.41Å; A719-Y728 HydrophobicContact CB-CD2 4.2Å; A719-Y728 HydrophobicContact CB-CE2 3.93Å |
| 720 | G | 96.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 109.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | I705 T706 C707 | I705-G720 WeakPolarHBondContact CA-O 3.46Å; T706-G720 PolarHBondContact N-O 3.12Å; T706-G720 PolarHBondContact OG1-O 2.95Å; C707-G720 PolarHBondContact O-N 3.18Å |
| 721 | V | 94.8 | Very high | 91.7 | Very high | 6 Ų | 6 | 34.4 Ų | 34.4 | 4% | 0.036 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 95.6 | -177.3 | -172.9 | 0 | 0 | 0 | 0 | 107.8 | A701 G703 I705 A719 K723 E724 K726 | A701-V721 HydrophobicContact CB-CG1 3.91Å; A701-V721 HydrophobicContact CB-CG2 4.06Å; G703-V721 WeakPolarHBondContact O-CG1 3.33Å; I705-V721 HydrophobicContact CD1-CB 4.48Å; I705-V721 HydrophobicContact CD1-CG1 4.36Å; I705-V721 HydrophobicContact CD1-CG2 3.71Å; A719-V721 HydrophobicContact CB-CG2 3.98Å; A719-V721 PolarHBondContact O-N 3.07Å; V721-K723 PolarHBondContact O-N 3.36Å; V721-E724 PolarHBondContact N-O 3.23Å; V721-E724 PolarHBondContact O-N 3.13Å; V721-K726 HydrophobicContact CB-CD 4.4Å; V721-K726 HydrophobicContact CG2-CB 4.16Å; V721-K726 HydrophobicContact CG2-CD 4.05Å; V721-K726 HydrophobicContact CG2-CG 4.17Å |
| 722 | D | 90 | Very high | 91.2 | Very high | 55 Ų | 55 | 38.4 Ų | 38.4 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | -106.1 | -169.4 | -168.4 | 30.7 | 0 | 0 | 0 | 111.3 | P704 V745 I746 | P704-D722 HydrophobicContact CG-CB 4.23Å; P704-D722 PolarHBondContact O-N 3.48Å; D722-V745 CarbonylContact O-C 3.57Å; D722-V745 VanDerWaalsContact O-CA 3.31Å; D722-V745 WeakPolarHBondContact O-CA 3.5Å; D722-V745 WeakPolarHBondContact OD1-CG2 3.11Å; D722-I746 PolarHBondContact O-N 3.34Å |
| 723 | K | 92 | Very high | 91 | Very high | 86 Ų | 86 | 32.8 Ų | 32.8 | 37% | 0.374 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -3.3 | -177.5 | -50.1 | -177.8 | -178.8 | -161.7 | 0 | 114.1 | V721 H742 Q743 I746 | V721-K723 PolarHBondContact O-N 3.36Å; K723-H742 WeakPolarHBondContact O-CB 3.16Å; K723-Q743 WeakPolarHBondContact CD-O 3.4Å; K723-Q743 VanDerWaalsContact CE-O 3.28Å; K723-Q743 WeakPolarHBondContact CE-O 3.25Å; K723-Q743 PolarHBondContact NZ-O 2.84Å; K723-I746 VanDerWaalsContact C-CD1 3.43Å |
| 724 | E | 94.9 | Very high | 91 | Very high | 53 Ų | 53 | 32.3 Ų | 32.3 | 25% | 0.248 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 153 | -174.5 | -56.8 | -174.4 | 148.3 | 0 | 0 | 111.5 | V721 N738 Y739 K740 I746 | V721-E724 PolarHBondContact N-O 3.23Å; V721-E724 PolarHBondContact O-N 3.13Å; E724-N738 WeakPolarHBondContact CB-OD1 3.4Å; E724-N738 VanDerWaalsContact CD-ND2 3.3Å; E724-N738 PolarHBondContact OE2-ND2 2.86Å; E724-N738 PolarHBondContact OE2-OD1 2.9Å; E724-Y739 WeakPolarHBondContact CA-O 3.39Å; E724-K740 HydrophobicContact CG-CG 4.28Å; E724-K740 WeakPolarHBondContact OE1-CD 3.37Å; E724-K740 WeakPolarHBondContact OE1-CE 3.38Å; E724-K740 IonicContact OE1-NZ 3.93Å; E724-I746 WeakPolarHBondContact O-CD1 3.44Å |
| 725 | I | 97.2 | Very high | 91.2 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 114.9 | 170.5 | -51.4 | 165.7 | 0 | 0 | 0 | 108.3 | L718 A719 N738 Y739 I746 I749 W770 | L718-I725 HydrophobicContact CB-CG2 4.27Å; L718-I725 HydrophobicContact CD2-CG2 4.35Å; A719-I725 CarbonylContact O-C 3.59Å; A719-I725 WeakPolarHBondContact O-CA 3.46Å; I725-N738 CarbonylContact O-C 3.55Å; I725-Y739 HydrophobicContact CB-CD2 4.13Å; I725-Y739 HydrophobicContact CG2-CD2 4.27Å; I725-Y739 PolarHBondContact N-O 2.84Å; I725-Y739 PolarHBondContact O-N 3.45Å; I725-I746 HydrophobicContact CD1-CD1 4.48Å; I725-I746 HydrophobicContact CG1-CD1 3.51Å; I725-I749 HydrophobicContact CD1-CD1 4.49Å; I725-I749 HydrophobicContact CG1-CD1 4.18Å; I725-I749 HydrophobicContact CG2-CD1 3.88Å; I725-W770 HydrophobicContact CD1-CD2 4.48Å; I725-W770 HydrophobicContact CD1-CZ2 4.14Å |
| 726 | K | 95.5 | Very high | 91.3 | Very high | 25 Ų | 25 | 31.7 Ų | 31.7 | 11% | 0.109 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 135 | 176.8 | -68.7 | -175.5 | -175.7 | -179.8 | 0 | 110.7 | A701 A719 V721 Y728 N738 | A701-K726 PolarHBondContact O-NZ 2.88Å; A719-K726 PolarHBondContact N-O 3.23Å; A719-K726 PolarHBondContact O-N 3.41Å; V721-K726 HydrophobicContact CB-CD 4.4Å; V721-K726 HydrophobicContact CG2-CB 4.16Å; V721-K726 HydrophobicContact CG2-CD 4.05Å; V721-K726 HydrophobicContact CG2-CG 4.17Å; K726-Y728 HydrophobicContact CB-CD2 4.15Å; K726-Y728 HydrophobicContact CB-CE2 3.37Å; K726-Y728 HydrophobicContact CD-CE2 4.45Å; K726-Y728 WeakPolarHBondContact CD-OH 3.34Å; K726-N738 HydrophobicContact CG-CB 4.45Å; K726-N738 WeakPolarHBondContact CG-OD1 3.34Å |
| 727 | I | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 124 | 174.9 | -50.5 | -178.7 | 0 | 0 | 0 | 109.1 | I716 L717 V735 Y736 R737 Y739 Y758 W773 | I716-I727 HydrophobicContact CB-CG2 3.8Å; I716-I727 HydrophobicContact CD1-CG2 3.55Å; I716-I727 HydrophobicContact CG1-CG2 4.05Å; I716-I727 HydrophobicContact CG2-CG2 4.2Å; L717-I727 CarbonylContact O-C 3.48Å; L717-I727 VanDerWaalsContact O-CA 3.31Å; L717-I727 WeakPolarHBondContact O-CA 3.35Å; I727-V735 CarbonylContact O-C 3.5Å; I727-V735 VanDerWaalsContact O-CA 3.29Å; I727-V735 WeakPolarHBondContact O-CA 3.45Å; I727-Y736 HydrophobicContact CG2-CD2 4.23Å; I727-Y736 PolarHBondContact O-N 3.08Å; I727-R737 HydrophobicContact CB-CB 4.37Å; I727-R737 HydrophobicContact CD1-CB 3.73Å; I727-R737 HydrophobicContact CG1-CB 4.1Å; I727-R737 PolarHBondContact N-O 2.63Å; I727-Y739 HydrophobicContact CD1-CD2 4.32Å; I727-Y739 HydrophobicContact CD1-CE2 3.44Å; I727-Y739 VanDerWaalsContact CD1-CE2 3.44Å; I727-Y739 HydrophobicContact CG1-CD2 4.31Å; I727-Y739 HydrophobicContact CG1-CE2 3.86Å; I727-Y758 HydrophobicContact CD1-CE2 4.17Å; I727-W773 HydrophobicContact CD1-CB 3.57Å; I727-W773 HydrophobicContact CD1-CG 4.17Å |
| 728 | Y | 92.6 | Very high | 91.2 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.7 | -179.5 | -65.9 | -92.3 | 0 | 0 | 0 | 112.6 | I683 L699 A701 I716 L717 A719 K726 H734 V735 | I683-Y728 HydrophobicContact CD1-CD2 3.89Å; I683-Y728 HydrophobicContact CD1-CE2 3.54Å; L699-Y728 HydrophobicContact CD1-CD1 3.84Å; L699-Y728 HydrophobicContact CD1-CE1 4.31Å; L699-Y728 HydrophobicContact CD1-CG 4.41Å; A701-Y728 WeakPolarHBondContact CA-OH 3.37Å; A701-Y728 WeakPolarHBondContact CB-OH 3.3Å; I716-Y728 WeakPolarHBondContact CA-O 3.32Å; L717-Y728 PolarHBondContact N-O 3.29Å; L717-Y728 PolarHBondContact O-N 2.89Å; A719-Y728 HydrophobicContact CB-CD2 4.2Å; A719-Y728 HydrophobicContact CB-CE2 3.93Å; K726-Y728 HydrophobicContact CB-CD2 4.15Å; K726-Y728 HydrophobicContact CB-CE2 3.37Å; K726-Y728 HydrophobicContact CD-CE2 4.45Å; K726-Y728 WeakPolarHBondContact CD-OH 3.34Å; Y728-H734 CarbonylContact C-O 3.59Å; Y728-H734 WeakPolarHBondContact CA-O 3.41Å; Y728-V735 HydrophobicContact CD1-CG2 3.7Å; Y728-V735 HydrophobicContact CE1-CG2 3.29Å |
| 729 | D | 87.5 | Confident | 91.1 | Very high | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.032 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 122.8 | 157.9 | -175.5 | -6 | 0 | 0 | 0 | 109.1 | L731 T732 G733 H734 Y736 R777 | D729-L731 VanDerWaalsContact C-N 3.27Å; D729-L731 PolarHBondContact O-N 2.82Å; D729-L731 WeakPolarHBondContact OD1-CB 3.5Å; D729-L731 PolarHBondContact OD1-N 3.2Å; D729-T732 WeakPolarHBondContact CB-OG1 3.28Å; D729-T732 VanDerWaalsContact CG-OG1 3.25Å; D729-T732 WeakPolarHBondContact OD2-CG2 3.48Å; D729-T732 PolarHBondContact OD2-OG1 3.12Å; D729-G733 VanDerWaalsContact O-CA 3.23Å; D729-G733 WeakPolarHBondContact O-CA 3.38Å; D729-G733 PolarHBondContact O-N 3.44Å; D729-H734 HydrophobicContact CB-CB 4.37Å; D729-H734 PolarHBondContact N-O 3.37Å; D729-Y736 HydrophobicContact CB-CD2 4.46Å; D729-Y736 HydrophobicContact CB-CE2 3.6Å; D729-Y736 WeakPolarHBondContact CB-OH 3.23Å; D729-Y736 PolarHBondContact OD2-OH 2.68Å; D729-R777 IonicContact OD1-CZ 3.11Å; D729-R777 IonicContact OD1-NH2 3.9Å; D729-R777 PolarHBondContact OD1-NH2 3.14Å; D729-R777 IonicContact OD2-CZ 3.97Å; D729-R777 IonicContact OD2-NE 2.94Å; D729-R777 IonicContact OD2-NH2 3.96Å; D729-R777 PolarHBondContact OD2-NH2 3.3Å |
| 730 | L | 84.1 | Confident | 90.9 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -23.7 | -179.8 | -69.3 | 173.1 | 0 | 0 | 0 | 113.3 | I675 I685 R696 L710 L717 | I675-L730 HydrophobicContact CD1-CD1 4.07Å; I675-L730 HydrophobicContact CD1-CD2 3.44Å; I675-L730 VanDerWaalsContact CD1-CD2 3.44Å; I675-L730 HydrophobicContact CD1-CG 4.4Å; I675-L730 HydrophobicContact CG1-CD2 4.24Å; I685-L730 HydrophobicContact CD1-CD2 4.12Å; I685-L730 VanDerWaalsContact CD1-O 3.3Å; I685-L730 WeakPolarHBondContact CD1-O 3.37Å; R696-L730 PolarHBondContact NH2-O 2.9Å; L710-L730 HydrophobicContact CD2-CD1 3.61Å; L710-L730 HydrophobicContact CD2-CD2 4.45Å; L717-L730 HydrophobicContact CB-CD2 3.69Å; L717-L730 HydrophobicContact CB-CG 4.26Å; L717-L730 HydrophobicContact CD2-CD2 4.28Å; L717-L730 HydrophobicContact CG-CD2 4.5Å |
| 731 | L | 83.2 | Confident | 90.5 | Very high | 105 Ų | 105 | 39.8 Ų | 39.8 | 55% | 0.55 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -53.2 | -180 | -174.4 | 64.2 | 0 | 0 | 0 | 111.3 | R696 D729 R777 | R696-L731 PolarHBondContact NH1-O 2.85Å; D729-L731 VanDerWaalsContact C-N 3.27Å; D729-L731 PolarHBondContact O-N 2.82Å; D729-L731 WeakPolarHBondContact OD1-CB 3.5Å; D729-L731 PolarHBondContact OD1-N 3.2Å; L731-R777 VanDerWaalsContact CD2-NH2 3.26Å |
| 732 | T | 82.5 | Confident | 90.4 | Very high | 87 Ų | 87 | 39.9 Ų | 39.9 | 53% | 0.534 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -20.7 | -170.8 | 62.6 | 0 | 0 | 0 | 0 | 113.5 | D729 H734 | D729-T732 WeakPolarHBondContact CB-OG1 3.28Å; D729-T732 VanDerWaalsContact CG-OG1 3.25Å; D729-T732 WeakPolarHBondContact OD2-CG2 3.48Å; D729-T732 PolarHBondContact OD2-OG1 3.12Å; T732-H734 WeakPolarHBondContact OG1-CB 3.43Å; T732-H734 PolarHBondContact OG1-N 3.21Å |
| 733 | G | 84.4 | Confident | 90.4 | Very high | 12 Ų | 12 | 43.2 Ų | 43.2 | 12% | 0.124 | 22% | 0.215 | C | C | . | . | trans | 78.9 | 4.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L699 D729 | L699-G733 VanDerWaalsContact CD2-CA 3.41Å; D729-G733 VanDerWaalsContact O-CA 3.23Å; D729-G733 WeakPolarHBondContact O-CA 3.38Å; D729-G733 PolarHBondContact O-N 3.44Å | ||
| 734 | H | 86.6 | Confident | 90.3 | Very high | 113 Ų | 113 | 42.3 Ų | 42.3 | 52% | 0.523 | 21% | 0.214 | S | C | . | . | trans | -66.6 | 139.5 | -179.1 | -174.8 | 72.5 | 0 | 0 | 0 | 111.7 | Y728 D729 T732 Y736 | Y728-H734 CarbonylContact C-O 3.59Å; Y728-H734 WeakPolarHBondContact CA-O 3.41Å; D729-H734 HydrophobicContact CB-CB 4.37Å; D729-H734 PolarHBondContact N-O 3.37Å; T732-H734 WeakPolarHBondContact OG1-CB 3.43Å; T732-H734 PolarHBondContact OG1-N 3.21Å; H734-Y736 AromaticContact CD2-CD1 3.77Å; H734-Y736 AromaticContact CD2-CE1 3.97Å; H734-Y736 PolarHBondContact O-N 3.43Å | ||
| 735 | V | 90.7 | Very high | 90.1 | Very high | 58 Ų | 58 | 40.6 Ų | 40.6 | 35% | 0.352 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 106.2 | 175.4 | 179.8 | 0 | 0 | 0 | 0 | 108.9 | I727 Y728 | I727-V735 CarbonylContact O-C 3.5Å; I727-V735 VanDerWaalsContact O-CA 3.29Å; I727-V735 WeakPolarHBondContact O-CA 3.45Å; Y728-V735 HydrophobicContact CD1-CG2 3.7Å; Y728-V735 HydrophobicContact CE1-CG2 3.29Å |
| 736 | Y | 89.6 | Confident | 90 | Very high | 48 Ų | 48 | 40.6 Ų | 40.6 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | -34.2 | 177.4 | -71 | -51.4 | 0 | 0 | 0 | 113 | I716 I727 D729 H734 W773 | I716-Y736 HydrophobicContact CG2-CD2 3.85Å; I716-Y736 HydrophobicContact CG2-CE2 3.73Å; I727-Y736 HydrophobicContact CG2-CD2 4.23Å; I727-Y736 PolarHBondContact O-N 3.08Å; D729-Y736 HydrophobicContact CB-CD2 4.46Å; D729-Y736 HydrophobicContact CB-CE2 3.6Å; D729-Y736 WeakPolarHBondContact CB-OH 3.23Å; D729-Y736 PolarHBondContact OD2-OH 2.68Å; H734-Y736 AromaticContact CD2-CD1 3.77Å; H734-Y736 AromaticContact CD2-CE1 3.97Å; H734-Y736 PolarHBondContact O-N 3.43Å; Y736-W773 HydrophobicContact CD1-CH2 4.19Å; Y736-W773 AromaticContact CD1-CZ2 3.63Å; Y736-W773 HydrophobicContact CD1-CZ2 3.63Å; Y736-W773 HydrophobicContact CD2-CH2 4.04Å; Y736-W773 AromaticContact CD2-CZ2 4Å; Y736-W773 HydrophobicContact CD2-CZ2 4Å; Y736-W773 HydrophobicContact CD2-CZ3 4.37Å; Y736-W773 HydrophobicContact CE1-CH2 4.16Å; Y736-W773 AromaticContact CE1-CZ2 3.99Å; Y736-W773 HydrophobicContact CE1-CZ2 3.99Å; Y736-W773 AromaticContact CE2-CH2 3.97Å; Y736-W773 HydrophobicContact CE2-CH2 3.97Å; Y736-W773 HydrophobicContact CE2-CZ2 4.3Å; Y736-W773 HydrophobicContact CE2-CZ3 4.38Å; Y736-W773 AromaticContact CG-CE2 3.88Å; Y736-W773 HydrophobicContact CG-CH2 4.15Å; Y736-W773 AromaticContact CG-CZ2 3.65Å; Y736-W773 HydrophobicContact CG-CZ2 3.65Å |
| 737 | R | 91.1 | Very high | 89.8 | Confident | 40 Ų | 40 | 42.3 Ų | 42.3 | 15% | 0.151 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 153.4 | -174.8 | -151.4 | 177.2 | -159.6 | 165.9 | 13.3 | 112.1 | S249 E250 I727 Y739 | S249-R737 VanDerWaalsContact C-NH2 3.28Å; S249-R737 PolarHBondContact O-NE 2.63Å; S249-R737 PolarHBondContact O-NH2 2.81Å; S249-R737 PolarHBondContact OG-NH2 2.93Å; E250-R737 HydrophobicContact CG-CG 4.2Å; I727-R737 HydrophobicContact CB-CB 4.37Å; I727-R737 HydrophobicContact CD1-CB 3.73Å; I727-R737 HydrophobicContact CG1-CB 4.1Å; I727-R737 PolarHBondContact N-O 2.63Å; R737-Y739 PolarHBondContact NH1-OH 3.17Å; R737-Y739 VanDerWaalsContact NH1-OH 3.16Å |
| 738 | N | 93 | Very high | 89.8 | Confident | 26 Ų | 26 | 42.7 Ų | 42.7 | 14% | 0.139 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 102.4 | 174.1 | -171.8 | 18.2 | 0 | 0 | 0 | 110.3 | E250 E724 I725 K726 K740 | E250-N738 WeakPolarHBondContact CB-O 2.83Å; E250-N738 WeakPolarHBondContact CG-O 3.24Å; E724-N738 WeakPolarHBondContact CB-OD1 3.4Å; E724-N738 VanDerWaalsContact CD-ND2 3.3Å; E724-N738 PolarHBondContact OE2-ND2 2.86Å; E724-N738 PolarHBondContact OE2-OD1 2.9Å; I725-N738 CarbonylContact O-C 3.55Å; K726-N738 HydrophobicContact CG-CB 4.45Å; K726-N738 WeakPolarHBondContact CG-OD1 3.34Å; N738-K740 VanDerWaalsContact ND2-CE 3.27Å; N738-K740 WeakPolarHBondContact ND2-CE 3.26Å |
| 739 | Y | 95.2 | Very high | 90 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 131 | 177.9 | -63.4 | -74.2 | 0 | 0 | 0 | 111.5 | E250 E724 I725 I727 R737 Y758 W770 S771 | E250-Y739 CarbonylContact O-C 3.45Å; E250-Y739 WeakPolarHBondContact O-CA 3.39Å; E250-Y739 WeakPolarHBondContact O-CD1 3.23Å; E724-Y739 WeakPolarHBondContact CA-O 3.39Å; I725-Y739 HydrophobicContact CB-CD2 4.13Å; I725-Y739 HydrophobicContact CG2-CD2 4.27Å; I725-Y739 PolarHBondContact N-O 2.84Å; I725-Y739 PolarHBondContact O-N 3.45Å; I727-Y739 HydrophobicContact CD1-CD2 4.32Å; I727-Y739 HydrophobicContact CD1-CE2 3.44Å; I727-Y739 VanDerWaalsContact CD1-CE2 3.44Å; I727-Y739 HydrophobicContact CG1-CD2 4.31Å; I727-Y739 HydrophobicContact CG1-CE2 3.86Å; R737-Y739 PolarHBondContact NH1-OH 3.17Å; R737-Y739 VanDerWaalsContact NH1-OH 3.16Å; Y739-Y758 AromaticContact CE2-CD2 3.81Å; Y739-Y758 HydrophobicContact CE2-CD2 3.81Å; Y739-Y758 AromaticContact CE2-CE2 3.96Å; Y739-Y758 HydrophobicContact CE2-CE2 3.96Å; Y739-W770 HydrophobicContact CD1-CB 4.36Å; Y739-W770 HydrophobicContact CD1-CD2 4.27Å; Y739-W770 AromaticContact CD1-CE3 3.66Å; Y739-W770 HydrophobicContact CD1-CE3 3.66Å; Y739-W770 HydrophobicContact CD1-CZ3 4.37Å; Y739-W770 HydrophobicContact CE1-CB 4.2Å; Y739-W770 HydrophobicContact CG-CD2 4.26Å; Y739-W770 AromaticContact CG-CE3 3.9Å; Y739-W770 HydrophobicContact CG-CE3 3.9Å; Y739-W770 HydrophobicContact CG-CZ3 4.44Å; Y739-S771 PolarHBondContact OH-O 2.87Å |
| 740 | K | 92.6 | Very high | 90.3 | Very high | 94 Ų | 94 | 42.6 Ų | 42.6 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | trans | -127.1 | 143.5 | -175.2 | -59.6 | -176 | -174.6 | -175.1 | 0 | 111 | E250 E724 N738 | E250-K740 PolarHBondContact O-N 3.14Å; E724-K740 HydrophobicContact CG-CG 4.28Å; E724-K740 WeakPolarHBondContact OE1-CD 3.37Å; E724-K740 WeakPolarHBondContact OE1-CE 3.38Å; E724-K740 IonicContact OE1-NZ 3.93Å; N738-K740 VanDerWaalsContact ND2-CE 3.27Å; N738-K740 WeakPolarHBondContact ND2-CE 3.26Å | ||
| 741 | G | 87.9 | Confident | 90.8 | Very high | 11 Ų | 11 | 43.4 Ų | 43.4 | 11% | 0.113 | 22% | 0.219 | C | C | . | . | trans | 156.6 | -31.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q743 R768 | G741-Q743 PolarHBondContact O-NE2 3.27Å; G741-R768 PolarHBondContact O-NH2 2.66Å | ||
| 742 | H | 92 | Very high | 91.1 | Very high | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | trans | -62.6 | 145.2 | 172.4 | -79 | -61.1 | 0 | 0 | 0 | 111.4 | K723 I746 S760 S762 D764 Q766 W770 | K723-H742 WeakPolarHBondContact O-CB 3.16Å; H742-I746 HydrophobicContact CB-CG1 4.34Å; H742-S760 PolarHBondContact NE2-OG 3.32Å; H742-S762 WeakPolarHBondContact ND1-CB 3.45Å; H742-D764 VanDerWaalsContact CA-OD2 3.24Å; H742-D764 WeakPolarHBondContact CA-OD2 3.43Å; H742-D764 WeakPolarHBondContact CB-OD2 3.43Å; H742-D764 IonicContact CG-OD2 3.29Å; H742-D764 IonicContact ND1-OD1 2.63Å; H742-D764 PolarHBondContact ND1-OD1 3.24Å; H742-D764 IonicContact ND1-OD2 3.39Å; H742-D764 PolarHBondContact ND1-OD2 3.13Å; H742-Q766 PolarHBondContact CE1-O 2.99Å; H742-W770 AromaticContact CD2-CZ2 3.76Å; H742-W770 AromaticContact NE2-CZ2 3.88Å | ||
| 743 | Q | 89.9 | Confident | 91.3 | Very high | 125 Ų | 125 | 35.9 Ų | 35.9 | 58% | 0.584 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -102.4 | -9.4 | -177 | -59.8 | -56 | -48.4 | 0 | 0 | 112.8 | K723 G741 D764 | K723-Q743 WeakPolarHBondContact CD-O 3.4Å; K723-Q743 VanDerWaalsContact CE-O 3.28Å; K723-Q743 WeakPolarHBondContact CE-O 3.25Å; K723-Q743 PolarHBondContact NZ-O 2.84Å; G741-Q743 PolarHBondContact O-NE2 3.27Å; Q743-D764 HydrophobicContact CB-CB 4.14Å; Q743-D764 PolarHBondContact N-OD2 2.98Å |
| 744 | D | 90.1 | Very high | 91.3 | Very high | 67 Ų | 67 | 43.1 Ų | 43.1 | 36% | 0.358 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -145.3 | 178 | 178 | -155.7 | -4 | 0 | 0 | 0 | 110.9 | I746 S762 A763 D764 | D744-I746 PolarHBondContact O-N 2.95Å; D744-S762 PolarHBondContact O-OG 2.88Å; D744-A763 HydrophobicContact CB-CB 4.14Å; D744-A763 WeakPolarHBondContact OD2-CB 3.44Å; D744-D764 HydrophobicContact CB-CB 3.88Å |
| 745 | V | 91.1 | Very high | 91.1 | Very high | 17 Ų | 17 | 41.9 Ų | 41.9 | 10% | 0.103 | 21% | 0.206 | C | C | . | . | trans | -55 | 124.5 | -173.8 | 179.6 | 0 | 0 | 0 | 0 | 112.1 | T706 D722 S762 A763 | T706-V745 HydrophobicContact CG2-CG1 3.38Å; D722-V745 CarbonylContact O-C 3.57Å; D722-V745 VanDerWaalsContact O-CA 3.31Å; D722-V745 WeakPolarHBondContact O-CA 3.5Å; D722-V745 WeakPolarHBondContact OD1-CG2 3.11Å; V745-S762 WeakPolarHBondContact O-CA 3.49Å; V745-S762 PolarHBondContact O-OG 3.42Å; V745-S762 VanDerWaalsContact O-OG 3.12Å; V745-A763 PolarHBondContact O-N 2.87Å | ||
| 746 | I | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 129.6 | 171.1 | -62.6 | 152.9 | 0 | 0 | 0 | 108.9 | T706 D722 K723 E724 I725 H742 D744 I749 | T706-I746 WeakPolarHBondContact CB-O 3.46Å; T706-I746 PolarHBondContact OG1-O 3.28Å; D722-I746 PolarHBondContact O-N 3.34Å; K723-I746 VanDerWaalsContact C-CD1 3.43Å; E724-I746 WeakPolarHBondContact O-CD1 3.44Å; I725-I746 HydrophobicContact CD1-CD1 4.48Å; I725-I746 HydrophobicContact CG1-CD1 3.51Å; H742-I746 HydrophobicContact CB-CG1 4.34Å; D744-I746 PolarHBondContact O-N 2.95Å; I746-I749 HydrophobicContact CG2-CD1 4.32Å; I746-I749 HydrophobicContact CG2-CG1 3.94Å |
| 747 | R | 92.5 | Very high | 91.2 | Very high | 60 Ų | 60 | 39.4 Ų | 39.4 | 23% | 0.226 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | -32 | -176.3 | -64.6 | -57.8 | -173.3 | 124 | 2.4 | 113.8 | I262 Q263 A761 K818 | I262-R747 WeakPolarHBondContact O-CG 3.17Å; Q263-R747 VanDerWaalsContact O-CB 3.32Å; Q263-R747 WeakPolarHBondContact O-CB 3.44Å; R747-A761 PolarHBondContact N-O 3.2Å; R747-K818 VanDerWaalsContact NH1-CE 3.25Å |
| 748 | S | 93.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 6% | 0.056 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 148.1 | -179.7 | -165.7 | 0 | 0 | 0 | 0 | 110.4 | L265 S760 A761 | L265-S748 PolarHBondContact O-OG 2.82Å; S748-S760 WeakPolarHBondContact O-CA 3.09Å; S748-A761 PolarHBondContact N-O 2.81Å; S748-A761 PolarHBondContact O-N 3.36Å |
| 749 | I | 96.7 | Very high | 91.5 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 144.8 | 172 | -61.2 | 168.8 | 0 | 0 | 0 | 107 | R709 L718 I725 I746 V759 | R709-I749 HydrophobicContact CB-CG2 4.28Å; R709-I749 WeakPolarHBondContact CD-O 3.42Å; R709-I749 HydrophobicContact CG-CB 3.93Å; R709-I749 HydrophobicContact CG-CG2 3.98Å; R709-I749 WeakPolarHBondContact CG-O 3.3Å; R709-I749 PolarHBondContact NE-O 3.14Å; R709-I749 PolarHBondContact NH2-O 3.47Å; L718-I749 HydrophobicContact CB-CD1 4.47Å; L718-I749 HydrophobicContact CB-CG2 4.38Å; L718-I749 HydrophobicContact CD2-CG2 4.02Å; I725-I749 HydrophobicContact CD1-CD1 4.49Å; I725-I749 HydrophobicContact CG1-CD1 4.18Å; I725-I749 HydrophobicContact CG2-CD1 3.88Å; I746-I749 HydrophobicContact CG2-CD1 4.32Å; I746-I749 HydrophobicContact CG2-CG1 3.94Å; I749-V759 CarbonylContact C-O 3.59Å; I749-V759 VanDerWaalsContact CA-O 3.28Å; I749-V759 WeakPolarHBondContact CA-O 3.35Å |
| 750 | I | 95.2 | Very high | 91.5 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.041 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.4 | 171.9 | -62.2 | 176.8 | 0 | 0 | 0 | 108 | L265 A267 Y269 L752 V759 | L265-I750 HydrophobicContact CB-CD1 3.99Å; L265-I750 HydrophobicContact CD2-CB 4.32Å; L265-I750 HydrophobicContact CD2-CD1 3.33Å; L265-I750 HydrophobicContact CD2-CG1 3.78Å; L265-I750 HydrophobicContact CG-CD1 3.55Å; L265-I750 HydrophobicContact CG-CG1 4.37Å; A267-I750 HydrophobicContact CB-CD1 3.95Å; A267-I750 HydrophobicContact CB-CG2 4Å; Y269-I750 WeakPolarHBondContact OH-CG2 3.38Å; I750-L752 HydrophobicContact CG2-CD2 4.26Å; I750-V759 HydrophobicContact CB-CB 4.42Å; I750-V759 PolarHBondContact N-O 2.89Å; I750-V759 PolarHBondContact O-N 2.6Å |
| 751 | I | 94.5 | Very high | 91.6 | Very high | 20 Ų | 20 | 31.7 Ų | 31.7 | 10% | 0.103 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 131.6 | 176.5 | -60.9 | 163.2 | 0 | 0 | 0 | 108.3 | Y269 R709 L710 D711 L718 A753 Y758 | Y269-I751 PolarHBondContact OH-O 3.17Å; R709-I751 HydrophobicContact CB-CD1 3.63Å; R709-I751 HydrophobicContact CB-CG1 4.02Å; L710-I751 WeakPolarHBondContact O-CD1 3.46Å; D711-I751 HydrophobicContact CB-CD1 3.85Å; L718-I751 HydrophobicContact CD1-CD1 4.04Å; L718-I751 HydrophobicContact CD1-CG1 4.3Å; I751-A753 HydrophobicContact CG2-CB 4.18Å; I751-Y758 HydrophobicContact CB-CD1 4.5Å; I751-Y758 HydrophobicContact CG1-CD1 4.16Å; I751-Y758 HydrophobicContact CG1-CE1 4.43Å; I751-Y758 HydrophobicContact CG2-CD1 4.21Å; I751-Y758 HydrophobicContact CG2-CE1 4.18Å |
| 752 | L | 90.1 | Very high | 91.8 | Very high | 4 Ų | 4 | 31.2 Ų | 31.2 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 86 | 168.1 | -51.5 | -177.6 | 0 | 0 | 0 | 106.9 | Y269 F273 I750 E754 E755 D756 E757 V759 | Y269-L752 HydrophobicContact CD1-CD2 4.36Å; Y269-L752 HydrophobicContact CE1-CD2 3.66Å; F273-L752 HydrophobicContact CE1-CD1 4.08Å; F273-L752 HydrophobicContact CE2-CD1 4.11Å; F273-L752 HydrophobicContact CE2-CD2 3.43Å; F273-L752 VanDerWaalsContact CE2-CD2 3.43Å; F273-L752 HydrophobicContact CE2-CG 4.42Å; F273-L752 HydrophobicContact CZ-CD1 3.49Å; F273-L752 VanDerWaalsContact CZ-CD1 3.49Å; F273-L752 HydrophobicContact CZ-CD2 3.53Å; F273-L752 HydrophobicContact CZ-CG 4.17Å; I750-L752 HydrophobicContact CG2-CD2 4.26Å; L752-E754 PolarHBondContact O-N 2.87Å; L752-E755 HydrophobicContact CB-CB 4.17Å; L752-E755 HydrophobicContact CB-CG 4.48Å; L752-E755 PolarHBondContact O-N 2.89Å; L752-D756 PolarHBondContact O-N 3.37Å; L752-D756 VanDerWaalsContact O-N 3.13Å; L752-E757 WeakPolarHBondContact CA-O 3.3Å; L752-E757 HydrophobicContact CB-CB 4.07Å; L752-E757 HydrophobicContact CD1-CB 4.11Å; L752-E757 HydrophobicContact CG-CB 4.45Å; L752-E757 PolarHBondContact N-O 2.92Å; L752-E757 PolarHBondContact O-N 3.5Å; L752-V759 HydrophobicContact CD1-CG2 3.77Å; L752-V759 HydrophobicContact CG-CG2 4.08Å |
| 753 | A | 86.4 | Confident | 91.8 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 25% | 0.248 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -32 | -169.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K713 I751 | K713-A753 HydrophobicContact CD-CB 4.47Å; K713-A753 PolarHBondContact NZ-O 2.77Å; I751-A753 HydrophobicContact CG2-CB 4.18Å |
| 754 | E | 83.3 | Confident | 91.7 | Very high | 164 Ų | 164 | 27.7 Ų | 27.7 | 77% | 0.766 | 14% | 0.143 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -43.1 | 177.1 | -61 | -52.2 | 134.7 | 0 | 0 | 111.4 | L752 D756 | L752-E754 PolarHBondContact O-N 2.87Å; E754-D756 VanDerWaalsContact C-N 3.27Å; E754-D756 PolarHBondContact O-N 2.85Å |
| 755 | E | 82.8 | Confident | 91.7 | Very high | 87 Ų | 87 | 24.8 Ų | 24.8 | 41% | 0.407 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -4.2 | -178.8 | -55.3 | -56.8 | 140.5 | 0 | 0 | 113.6 | R289 H294 L752 E757 | R289-E755 IonicContact NH1-OE2 3.35Å; R289-E755 PolarHBondContact NH1-OE2 2.88Å; H294-E755 IonicContact CE1-OE2 3.42Å; H294-E755 PolarHBondContact CE1-OE2 3.15Å; H294-E755 IonicContact ND1-OE2 3.68Å; H294-E755 IonicContact NE2-OE2 2.72Å; L752-E755 HydrophobicContact CB-CB 4.17Å; L752-E755 HydrophobicContact CB-CG 4.48Å; L752-E755 PolarHBondContact O-N 2.89Å; E755-E757 VanDerWaalsContact C-N 3.29Å; E755-E757 HydrophobicContact CB-CB 4.36Å; E755-E757 HydrophobicContact CB-CG 4.25Å; E755-E757 PolarHBondContact O-N 3.05Å |
| 756 | D | 89.6 | Confident | 91.7 | Very high | 35 Ų | 35 | 25.7 Ų | 25.7 | 19% | 0.187 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 47.3 | -170.9 | -67.4 | -19.5 | 0 | 0 | 0 | 112.4 | K713 R714 L752 E754 A772 K774 | K713-D756 IonicContact NZ-OD1 3.22Å; K713-D756 PolarHBondContact NZ-OD1 2.89Å; R714-D756 IonicContact CZ-OD1 2.65Å; R714-D756 IonicContact NH1-OD1 3.59Å; R714-D756 IonicContact NH2-OD1 2.8Å; R714-D756 PolarHBondContact NH2-OD1 2.98Å; R714-D756 IonicContact NH2-OD2 3.96Å; L752-D756 PolarHBondContact O-N 3.37Å; L752-D756 VanDerWaalsContact O-N 3.13Å; E754-D756 VanDerWaalsContact C-N 3.27Å; E754-D756 PolarHBondContact O-N 2.85Å; D756-A772 HydrophobicContact CB-CB 4.14Å; D756-A772 WeakPolarHBondContact O-CA 3.16Å; D756-A772 WeakPolarHBondContact O-CB 3.47Å; D756-A772 PolarHBondContact O-N 3.33Å; D756-K774 VanDerWaalsContact OD2-CE 3.3Å; D756-K774 WeakPolarHBondContact OD2-CE 3.35Å; D756-K774 IonicContact OD2-NZ 2.72Å |
| 757 | E | 91.9 | Very high | 91.7 | Very high | 19 Ų | 19 | 25.7 Ų | 25.7 | 9% | 0.089 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 149.5 | -178.8 | -73.9 | 169.4 | -170.1 | 0 | 0 | 111.8 | R289 H294 L752 E755 I769 W770 | R289-E757 IonicContact CZ-OE1 3.9Å; R289-E757 IonicContact CZ-OE2 3.36Å; R289-E757 IonicContact NH1-OE1 3.87Å; R289-E757 IonicContact NH2-OE1 3.9Å; R289-E757 PolarHBondContact NH2-OE1 3.02Å; R289-E757 IonicContact NH2-OE2 2.72Å; R289-E757 PolarHBondContact NH2-OE2 3.4Å; R289-E757 VanDerWaalsContact NH2-OE2 3.11Å; H294-E757 IonicContact CE1-OE1 2.6Å; H294-E757 IonicContact CG-OE1 3.99Å; H294-E757 IonicContact ND1-OE1 2.86Å; H294-E757 PolarHBondContact ND1-OE1 3Å; L752-E757 WeakPolarHBondContact CA-O 3.3Å; L752-E757 HydrophobicContact CB-CB 4.07Å; L752-E757 HydrophobicContact CD1-CB 4.11Å; L752-E757 HydrophobicContact CG-CB 4.45Å; L752-E757 PolarHBondContact N-O 2.92Å; L752-E757 PolarHBondContact O-N 3.5Å; E755-E757 VanDerWaalsContact C-N 3.29Å; E755-E757 HydrophobicContact CB-CB 4.36Å; E755-E757 HydrophobicContact CB-CG 4.25Å; E755-E757 PolarHBondContact O-N 3.05Å; E757-I769 HydrophobicContact CB-CG2 3.98Å; E757-I769 HydrophobicContact CG-CG2 4.04Å; E757-W770 CarbonylContact C-O 3.56Å; E757-W770 VanDerWaalsContact CA-O 3.32Å; E757-W770 WeakPolarHBondContact CA-O 3.39Å |
| 758 | Y | 95.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 142 | 167.8 | -51 | -43 | 0 | 0 | 0 | 109.1 | D711 I716 L718 I727 Y739 I751 I769 W770 A772 W773 | D711-Y758 PolarHBondContact OD2-OH 3.42Å; I716-Y758 VanDerWaalsContact CD1-OH 3.28Å; I716-Y758 WeakPolarHBondContact CD1-OH 3.43Å; L718-Y758 HydrophobicContact CD1-CE1 4.18Å; L718-Y758 HydrophobicContact CD2-CD1 3.71Å; L718-Y758 HydrophobicContact CD2-CD2 3.5Å; L718-Y758 HydrophobicContact CD2-CE1 3.98Å; L718-Y758 HydrophobicContact CD2-CE2 3.74Å; L718-Y758 HydrophobicContact CD2-CG 3.47Å; L718-Y758 VanDerWaalsContact CD2-CG 3.47Å; L718-Y758 HydrophobicContact CG-CE2 4.45Å; I727-Y758 HydrophobicContact CD1-CE2 4.17Å; Y739-Y758 AromaticContact CE2-CD2 3.81Å; Y739-Y758 HydrophobicContact CE2-CD2 3.81Å; Y739-Y758 AromaticContact CE2-CE2 3.96Å; Y739-Y758 HydrophobicContact CE2-CE2 3.96Å; I751-Y758 HydrophobicContact CB-CD1 4.5Å; I751-Y758 HydrophobicContact CG1-CD1 4.16Å; I751-Y758 HydrophobicContact CG1-CE1 4.43Å; I751-Y758 HydrophobicContact CG2-CD1 4.21Å; I751-Y758 HydrophobicContact CG2-CE1 4.18Å; Y758-I769 CarbonylContact O-C 3.37Å; Y758-I769 VanDerWaalsContact O-CA 3.32Å; Y758-I769 WeakPolarHBondContact O-CA 3.38Å; Y758-W770 PolarHBondContact N-O 3.12Å; Y758-W770 VanDerWaalsContact O-CD1 3.27Å; Y758-W770 PolarHBondContact O-N 3.01Å; Y758-A772 HydrophobicContact CD1-CB 4.22Å; Y758-A772 HydrophobicContact CD2-CB 4.38Å; Y758-A772 HydrophobicContact CE1-CB 3.65Å; Y758-A772 VanDerWaalsContact CE2-CA 3.47Å; Y758-A772 HydrophobicContact CE2-CB 3.88Å; Y758-A772 VanDerWaalsContact CZ-CB 3.46Å; Y758-W773 PolarHBondContact OH-N 2.81Å |
| 759 | V | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 129.1 | 176.2 | -173.2 | 0 | 0 | 0 | 0 | 108.7 | L265 I275 I749 I750 L752 I767 R768 I769 | L265-V759 HydrophobicContact CD2-CB 4.1Å; L265-V759 HydrophobicContact CD2-CG1 3.51Å; I275-V759 HydrophobicContact CD1-CG1 4.22Å; I275-V759 HydrophobicContact CD1-CG2 4.23Å; I749-V759 CarbonylContact C-O 3.59Å; I749-V759 VanDerWaalsContact CA-O 3.28Å; I749-V759 WeakPolarHBondContact CA-O 3.35Å; I750-V759 HydrophobicContact CB-CB 4.42Å; I750-V759 PolarHBondContact N-O 2.89Å; I750-V759 PolarHBondContact O-N 2.6Å; L752-V759 HydrophobicContact CD1-CG2 3.77Å; L752-V759 HydrophobicContact CG-CG2 4.08Å; V759-I767 HydrophobicContact CG1-CG2 3.36Å; V759-R768 CarbonylContact C-O 3.57Å; V759-R768 WeakPolarHBondContact CA-O 3.38Å; V759-I769 HydrophobicContact CG1-CG1 4.35Å; V759-I769 HydrophobicContact CG2-CD1 4.14Å; V759-I769 HydrophobicContact CG2-CG1 4.13Å; V759-I769 HydrophobicContact CG2-CG2 4.29Å |
| 760 | S | 96.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148.2 | 174.7 | 60.5 | 0 | 0 | 0 | 0 | 111.8 | H742 S748 I767 R768 W770 | H742-S760 PolarHBondContact NE2-OG 3.32Å; S748-S760 WeakPolarHBondContact O-CA 3.09Å; S760-I767 CarbonylContact O-C 3.6Å; S760-I767 VanDerWaalsContact O-CA 3.24Å; S760-I767 WeakPolarHBondContact O-CA 3.36Å; S760-R768 PolarHBondContact N-O 2.76Å; S760-R768 PolarHBondContact O-N 3.39Å; S760-W770 PolarHBondContact OG-NE1 3.36Å |
| 761 | A | 94.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I262 L265 R747 S748 | I262-A761 HydrophobicContact CB-CB 4.07Å; I262-A761 HydrophobicContact CD1-CB 4.27Å; I262-A761 HydrophobicContact CG2-CB 3.63Å; L265-A761 HydrophobicContact CB-CB 4.06Å; L265-A761 HydrophobicContact CD1-CB 4.17Å; R747-A761 PolarHBondContact N-O 3.2Å; S748-A761 PolarHBondContact N-O 2.81Å; S748-A761 PolarHBondContact O-N 3.36Å |
| 762 | S | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 159.5 | -179.5 | 170.5 | 0 | 0 | 0 | 0 | 112.3 | I262 H742 D744 V745 D764 G765 Q766 | I262-S762 PolarHBondContact N-O 3.3Å; I262-S762 VanDerWaalsContact N-O 3.13Å; H742-S762 WeakPolarHBondContact ND1-CB 3.45Å; D744-S762 PolarHBondContact O-OG 2.88Å; V745-S762 WeakPolarHBondContact O-CA 3.49Å; V745-S762 PolarHBondContact O-OG 3.42Å; V745-S762 VanDerWaalsContact O-OG 3.12Å; S762-D764 WeakPolarHBondContact CB-OD1 3.42Å; S762-D764 PolarHBondContact O-N 3.48Å; S762-D764 VanDerWaalsContact OG-CG 3.31Å; S762-D764 PolarHBondContact OG-N 3.34Å; S762-D764 PolarHBondContact OG-OD1 2.85Å; S762-G765 PolarHBondContact O-N 3.09Å; S762-Q766 PolarHBondContact N-O 3.17Å |
| 763 | A | 90.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 25.6 Ų | 25.6 | 19% | 0.19 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -11.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G261 D744 V745 G765 | G261-A763 WeakPolarHBondContact CA-O 3.21Å; D744-A763 HydrophobicContact CB-CB 4.14Å; D744-A763 WeakPolarHBondContact OD2-CB 3.44Å; V745-A763 PolarHBondContact O-N 2.87Å; A763-G765 PolarHBondContact O-N 2.66Å |
| 764 | D | 89.1 | Confident | 91.1 | Very high | 37 Ų | 37 | 31.7 Ų | 31.7 | 20% | 0.198 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -1 | 173.6 | 67.1 | 7.7 | 0 | 0 | 0 | 114.5 | H742 Q743 D744 S762 Q766 | H742-D764 VanDerWaalsContact CA-OD2 3.24Å; H742-D764 WeakPolarHBondContact CA-OD2 3.43Å; H742-D764 WeakPolarHBondContact CB-OD2 3.43Å; H742-D764 IonicContact CG-OD2 3.29Å; H742-D764 IonicContact ND1-OD1 2.63Å; H742-D764 PolarHBondContact ND1-OD1 3.24Å; H742-D764 IonicContact ND1-OD2 3.39Å; H742-D764 PolarHBondContact ND1-OD2 3.13Å; Q743-D764 HydrophobicContact CB-CB 4.14Å; Q743-D764 PolarHBondContact N-OD2 2.98Å; D744-D764 HydrophobicContact CB-CB 3.88Å; S762-D764 WeakPolarHBondContact CB-OD1 3.42Å; S762-D764 PolarHBondContact O-N 3.48Å; S762-D764 VanDerWaalsContact OG-CG 3.31Å; S762-D764 PolarHBondContact OG-N 3.34Å; S762-D764 PolarHBondContact OG-OD1 2.85Å; D764-Q766 VanDerWaalsContact OD1-CB 3.29Å; D764-Q766 WeakPolarHBondContact OD1-CB 3.19Å; D764-Q766 PolarHBondContact OD1-N 3.17Å |
| 765 | G | 89.3 | Confident | 90.5 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 29.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T258 S260 S762 A763 | T258-G765 PolarHBondContact N-O 2.67Å; T258-G765 VanDerWaalsContact OG1-CA 3.3Å; T258-G765 WeakPolarHBondContact OG1-CA 3.12Å; T258-G765 PolarHBondContact OG1-O 2.97Å; S260-G765 VanDerWaalsContact O-CA 3.28Å; S260-G765 WeakPolarHBondContact O-CA 3.39Å; S762-G765 PolarHBondContact O-N 3.09Å; A763-G765 PolarHBondContact O-N 2.66Å |
| 766 | Q | 91.5 | Very high | 89.5 | Confident | 37 Ų | 37 | 24.7 Ų | 24.7 | 17% | 0.173 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 137.3 | 177 | -57.6 | -178.5 | -4.7 | 0 | 0 | 111.6 | T255 L256 H742 S762 D764 | T255-Q766 HydrophobicContact CG2-CB 4.02Å; T255-Q766 HydrophobicContact CG2-CG 4.14Å; L256-Q766 WeakPolarHBondContact O-CA 3.35Å; H742-Q766 PolarHBondContact CE1-O 2.99Å; S762-Q766 PolarHBondContact N-O 3.17Å; D764-Q766 VanDerWaalsContact OD1-CB 3.29Å; D764-Q766 WeakPolarHBondContact OD1-CB 3.19Å; D764-Q766 PolarHBondContact OD1-N 3.17Å |
| 767 | I | 94.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 126.7 | 160.2 | -53.2 | 171 | 0 | 0 | 0 | 106.6 | T255 L256 I262 L265 W287 V759 S760 | T255-I767 CarbonylContact C-O 3.54Å; T255-I767 WeakPolarHBondContact CA-O 3.4Å; L256-I767 HydrophobicContact CB-CB 4.13Å; L256-I767 HydrophobicContact CD1-CB 4.38Å; L256-I767 HydrophobicContact CD1-CG2 4.43Å; L256-I767 PolarHBondContact N-O 3.06Å; L256-I767 PolarHBondContact O-N 3.17Å; I262-I767 HydrophobicContact CD1-CD1 4.28Å; I262-I767 HydrophobicContact CD1-CG1 3.4Å; L265-I767 HydrophobicContact CD1-CD1 3.91Å; L265-I767 HydrophobicContact CD1-CG1 4.23Å; L265-I767 HydrophobicContact CD1-CG2 4.42Å; W287-I767 HydrophobicContact CD2-CD1 4.42Å; W287-I767 HydrophobicContact CG-CD1 4.42Å; V759-I767 HydrophobicContact CG1-CG2 3.36Å; S760-I767 CarbonylContact O-C 3.6Å; S760-I767 VanDerWaalsContact O-CA 3.24Å; S760-I767 WeakPolarHBondContact O-CA 3.36Å |
| 768 | R | 94.7 | Very high | 85.6 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 3% | 0.026 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 134.4 | 176.2 | -72.5 | -177.6 | 179.1 | -100.8 | -1.7 | 110.1 | S252 L254 T255 G741 V759 S760 W770 | S252-R768 PolarHBondContact OG-NH1 3.09Å; L254-R768 WeakPolarHBondContact O-CA 3.35Å; T255-R768 HydrophobicContact CG2-CG 4.17Å; T255-R768 PolarHBondContact OG1-NH1 3.49Å; G741-R768 PolarHBondContact O-NH2 2.66Å; V759-R768 CarbonylContact C-O 3.57Å; V759-R768 WeakPolarHBondContact CA-O 3.38Å; S760-R768 PolarHBondContact N-O 2.76Å; S760-R768 PolarHBondContact O-N 3.39Å; R768-W770 HydrophobicContact CB-CD2 4.5Å; R768-W770 HydrophobicContact CB-CH2 4.29Å; R768-W770 HydrophobicContact CB-CZ2 3.43Å; R768-W770 VanDerWaalsContact CB-CZ2 3.43Å; R768-W770 VanDerWaalsContact CD-CZ2 3.41Å; R768-W770 HydrophobicContact CG-CZ2 4.05Å; R768-W770 PolarHBondContact O-NE1 3.46Å |
| 769 | I | 94.1 | Very high | 83 | Confident | 4 Ų | 4 | 42.1 Ų | 42.1 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129.9 | 171.6 | -46.5 | -160.3 | 0 | 0 | 0 | 108.2 | S252 A253 L254 I275 Y297 E757 Y758 V759 | S252-I769 CarbonylContact C-O 3.59Å; S252-I769 WeakPolarHBondContact CA-O 2.91Å; A253-I769 PolarHBondContact N-O 2.76Å; L254-I769 HydrophobicContact CB-CB 4.11Å; L254-I769 HydrophobicContact CB-CG1 4.46Å; L254-I769 HydrophobicContact CD2-CB 4.24Å; L254-I769 HydrophobicContact CD2-CD1 3.57Å; L254-I769 HydrophobicContact CD2-CG1 3.83Å; L254-I769 HydrophobicContact CG-CB 4.39Å; L254-I769 HydrophobicContact CG-CD1 4.44Å; L254-I769 HydrophobicContact CG-CG1 4.18Å; L254-I769 PolarHBondContact N-O 3.16Å; L254-I769 VanDerWaalsContact N-O 3.15Å; L254-I769 PolarHBondContact O-N 2.85Å; I275-I769 HydrophobicContact CD1-CD1 4.24Å; Y297-I769 HydrophobicContact CE1-CD1 4.49Å; Y297-I769 HydrophobicContact CE2-CD1 3.87Å; Y297-I769 VanDerWaalsContact OH-CD1 3.26Å; Y297-I769 WeakPolarHBondContact OH-CD1 3.45Å; E757-I769 HydrophobicContact CB-CG2 3.98Å; E757-I769 HydrophobicContact CG-CG2 4.04Å; Y758-I769 CarbonylContact O-C 3.37Å; Y758-I769 VanDerWaalsContact O-CA 3.32Å; Y758-I769 WeakPolarHBondContact O-CA 3.38Å; V759-I769 HydrophobicContact CG1-CG1 4.35Å; V759-I769 HydrophobicContact CG2-CD1 4.14Å; V759-I769 HydrophobicContact CG2-CG1 4.13Å; V759-I769 HydrophobicContact CG2-CG2 4.29Å |
| 770 | W | 93.7 | Very high | 80.1 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 141.5 | -174.3 | -43.3 | 85.3 | 0 | 0 | 0 | 109.1 | S251 I725 Y739 H742 E757 Y758 S760 R768 A772 | S251-W770 VanDerWaalsContact C-CE3 3.41Å; S251-W770 VanDerWaalsContact C-CZ3 3.42Å; I725-W770 HydrophobicContact CD1-CD2 4.48Å; I725-W770 HydrophobicContact CD1-CZ2 4.14Å; Y739-W770 HydrophobicContact CD1-CB 4.36Å; Y739-W770 HydrophobicContact CD1-CD2 4.27Å; Y739-W770 AromaticContact CD1-CE3 3.66Å; Y739-W770 HydrophobicContact CD1-CE3 3.66Å; Y739-W770 HydrophobicContact CD1-CZ3 4.37Å; Y739-W770 HydrophobicContact CE1-CB 4.2Å; Y739-W770 HydrophobicContact CG-CD2 4.26Å; Y739-W770 AromaticContact CG-CE3 3.9Å; Y739-W770 HydrophobicContact CG-CE3 3.9Å; Y739-W770 HydrophobicContact CG-CZ3 4.44Å; H742-W770 AromaticContact CD2-CZ2 3.76Å; H742-W770 AromaticContact NE2-CZ2 3.88Å; E757-W770 CarbonylContact C-O 3.56Å; E757-W770 VanDerWaalsContact CA-O 3.32Å; E757-W770 WeakPolarHBondContact CA-O 3.39Å; Y758-W770 PolarHBondContact N-O 3.12Å; Y758-W770 VanDerWaalsContact O-CD1 3.27Å; Y758-W770 PolarHBondContact O-N 3.01Å; S760-W770 PolarHBondContact OG-NE1 3.36Å; R768-W770 HydrophobicContact CB-CD2 4.5Å; R768-W770 HydrophobicContact CB-CH2 4.29Å; R768-W770 HydrophobicContact CB-CZ2 3.43Å; R768-W770 VanDerWaalsContact CB-CZ2 3.43Å; R768-W770 VanDerWaalsContact CD-CZ2 3.41Å; R768-W770 HydrophobicContact CG-CZ2 4.05Å; R768-W770 PolarHBondContact O-NE1 3.46Å; W770-A772 PolarHBondContact O-N 3.27Å |
| 771 | S | 90.1 | Very high | 77.1 | Confident | 49 Ų | 49 | 52 Ų | 52 | 34% | 0.343 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.2 | 167.6 | -49 | 0 | 0 | 0 | 0 | 109.5 | Y739 | Y739-S771 PolarHBondContact OH-O 2.87Å |
| 772 | A | 91.6 | Very high | 74.2 | Confident | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 157.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D756 Y758 W770 K774 | D756-A772 HydrophobicContact CB-CB 4.14Å; D756-A772 WeakPolarHBondContact O-CA 3.16Å; D756-A772 WeakPolarHBondContact O-CB 3.47Å; D756-A772 PolarHBondContact O-N 3.33Å; Y758-A772 HydrophobicContact CD1-CB 4.22Å; Y758-A772 HydrophobicContact CD2-CB 4.38Å; Y758-A772 HydrophobicContact CE1-CB 3.65Å; Y758-A772 VanDerWaalsContact CE2-CA 3.47Å; Y758-A772 HydrophobicContact CE2-CB 3.88Å; Y758-A772 VanDerWaalsContact CZ-CB 3.46Å; W770-A772 PolarHBondContact O-N 3.27Å; A772-K774 PolarHBondContact O-N 3.33Å |
| 773 | W | 88.7 | Confident | 71.2 | Confident | 34 Ų | 34 | 66.2 Ų | 66.2 | 13% | 0.129 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 119.8 | 178.8 | 177.9 | 83.4 | 0 | 0 | 0 | 109.9 | R714 I716 I727 Y736 Y758 G775 | R714-W773 WeakPolarHBondContact CD-O 3.46Å; R714-W773 PolarHBondContact NE-O 3.41Å; I716-W773 HydrophobicContact CD1-CB 4.38Å; I716-W773 HydrophobicContact CD1-CE3 4.14Å; I716-W773 HydrophobicContact CG2-CE3 4.48Å; I716-W773 HydrophobicContact CG2-CZ3 4.35Å; I727-W773 HydrophobicContact CD1-CB 3.57Å; I727-W773 HydrophobicContact CD1-CG 4.17Å; Y736-W773 HydrophobicContact CD1-CH2 4.19Å; Y736-W773 AromaticContact CD1-CZ2 3.63Å; Y736-W773 HydrophobicContact CD1-CZ2 3.63Å; Y736-W773 HydrophobicContact CD2-CH2 4.04Å; Y736-W773 AromaticContact CD2-CZ2 4Å; Y736-W773 HydrophobicContact CD2-CZ2 4Å; Y736-W773 HydrophobicContact CD2-CZ3 4.37Å; Y736-W773 HydrophobicContact CE1-CH2 4.16Å; Y736-W773 AromaticContact CE1-CZ2 3.99Å; Y736-W773 HydrophobicContact CE1-CZ2 3.99Å; Y736-W773 AromaticContact CE2-CH2 3.97Å; Y736-W773 HydrophobicContact CE2-CH2 3.97Å; Y736-W773 HydrophobicContact CE2-CZ2 4.3Å; Y736-W773 HydrophobicContact CE2-CZ3 4.38Å; Y736-W773 AromaticContact CG-CE2 3.88Å; Y736-W773 HydrophobicContact CG-CH2 4.15Å; Y736-W773 AromaticContact CG-CZ2 3.65Å; Y736-W773 HydrophobicContact CG-CZ2 3.65Å; Y758-W773 PolarHBondContact OH-N 2.81Å; W773-G775 WeakPolarHBondContact CH2-O 3.36Å; W773-G775 WeakPolarHBondContact CZ3-O 3.47Å |
| 774 | K | 83 | Confident | 68.4 | Low | 159 Ų | 159 | 68.7 Ų | 68.7 | 69% | 0.691 | 37% | 0.372 | S | S | * | . | trans | -104.6 | 10.9 | 180 | -61.2 | -174.1 | 178.5 | -171.9 | 0 | 113.1 | D756 A772 | D756-K774 VanDerWaalsContact OD2-CE 3.3Å; D756-K774 WeakPolarHBondContact OD2-CE 3.35Å; D756-K774 IonicContact OD2-NZ 2.72Å; A772-K774 PolarHBondContact O-N 3.33Å | ||
| 775 | G | 72.6 | Confident | 65.9 | Low | 31 Ų | 31 | 72.8 Ų | 72.8 | 32% | 0.32 | 40% | 0.398 | S | S | . | . | trans | -66.2 | 153.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | W773 | W773-G775 WeakPolarHBondContact CH2-O 3.36Å; W773-G775 WeakPolarHBondContact CZ3-O 3.47Å | ||
| 776 | S | 60.6 | Low | 63.5 | Low | 72 Ų | 72 | 76.7 Ų | 76.7 | 50% | 0.503 | 42% | 0.418 | S | S | . | . | trans | -85.7 | 138.6 | 167.4 | 178.4 | 0 | 0 | 0 | 0 | 109.2 | N778 Q779 | S776-N778 PolarHBondContact O-N 3.45Å; S776-N778 PolarHBondContact OG-N 3.28Å; S776-Q779 PolarHBondContact O-N 3.37Å | ||
| 777 | R | 55 | Low | 61.2 | Low | 119 Ų | 119 | 83.6 Ų | 83.6 | 45% | 0.449 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -20.4 | 168.7 | -164.4 | 174.2 | -159.6 | -176.1 | 13 | 112.6 | D729 L731 | D729-R777 IonicContact OD1-CZ 3.11Å; D729-R777 IonicContact OD1-NH2 3.9Å; D729-R777 PolarHBondContact OD1-NH2 3.14Å; D729-R777 IonicContact OD2-CZ 3.97Å; D729-R777 IonicContact OD2-NE 2.94Å; D729-R777 IonicContact OD2-NH2 3.96Å; D729-R777 PolarHBondContact OD2-NH2 3.3Å; L731-R777 VanDerWaalsContact CD2-NH2 3.26Å |
| 778 | N | 44.4 | Very low | 58.7 | Low | 136 Ų | 136 | 90.8 Ų | 90.8 | 73% | 0.727 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 12.6 | -176.6 | -61 | -12.2 | 0 | 0 | 0 | 114.6 | S776 P780 | S776-N778 PolarHBondContact O-N 3.45Å; S776-N778 PolarHBondContact OG-N 3.28Å; N778-P780 VanDerWaalsContact O-CD 3.24Å; N778-P780 WeakPolarHBondContact O-CD 3.48Å |
| 779 | Q | 41.1 | Very low | 56.3 | Low | 166 Ų | 166 | 93.6 Ų | 93.6 | 78% | 0.776 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -61.5 | 112 | 155.6 | -83.3 | -169.2 | -6.3 | 0 | 0 | 106.3 | S776 T781 | S776-Q779 PolarHBondContact O-N 3.37Å; Q779-T781 PolarHBondContact O-N 3.33Å |
| 780 | P | 35.6 | Very low | 54.1 | Low | 88 Ų | 88 | 96.8 Ų | 96.8 | 57% | 0.571 | 53% | 0.531 | S | S | * | . | trans | -64.6 | 130.6 | -168.1 | 27.5 | -32 | 0 | 0 | 0 | 107.5 | N778 I782 I783 | N778-P780 VanDerWaalsContact O-CD 3.24Å; N778-P780 WeakPolarHBondContact O-CD 3.48Å; P780-I782 PolarHBondContact O-N 3.21Å; P780-I783 HydrophobicContact CB-CD1 4.24Å; P780-I783 HydrophobicContact CB-CG1 4.31Å | ||
| 781 | T | 32.9 | Very low | 51.8 | Low | 118 Ų | 118 | 101.4 Ų | 101.4 | 72% | 0.724 | 56% | 0.556 | S | S | * | * | 11.3 | 119.8 | 122.9 | 18.6 | 0 | 0 | 0 | 0 | 111.6 | Q779 I783 | Q779-T781 PolarHBondContact O-N 3.33Å; T781-I783 WeakPolarHBondContact O-CG1 3.42Å; T781-I783 PolarHBondContact O-N 2.97Å | |||
| 782 | I | 32.1 | Very low | 49.4 | Very low | 152 Ų | 152 | 100.8 Ų | 100.8 | 78% | 0.779 | 55% | 0.553 | S | S | * | * | trans | -45.5 | 101.2 | 158.2 | -65.3 | 169.5 | 0 | 0 | 0 | 106.1 | P780 S784 | P780-I782 PolarHBondContact O-N 3.21Å; I782-S784 PolarHBondContact O-N 3.32Å | ||
| 783 | I | 30.6 | Very low | 47.1 | Very low | 148 Ų | 148 | 103.5 Ų | 103.5 | 76% | 0.759 | 58% | 0.575 | S | S | * | * | trans | -78.7 | 79.5 | 172.9 | -54.6 | 175.4 | 0 | 0 | 0 | 103.7 | P780 T781 | P780-I783 HydrophobicContact CB-CD1 4.24Å; P780-I783 HydrophobicContact CB-CG1 4.31Å; T781-I783 WeakPolarHBondContact O-CG1 3.42Å; T781-I783 PolarHBondContact O-N 2.97Å | ||
| 784 | S | 31.2 | Very low | 45 | Very low | 75 Ų | 75 | 104.7 Ų | 104.7 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -166.4 | 106.4 | 152.5 | 56.7 | 0 | 0 | 0 | 0 | 105 | I782 D786 | I782-S784 PolarHBondContact O-N 3.32Å; S784-D786 PolarHBondContact O-N 3.44Å |
| 785 | T | 36.9 | Very low | 42.9 | Very low | 123 Ų | 123 | 102.4 Ų | 102.4 | 76% | 0.755 | 59% | 0.585 | S | S | * | * | S | Bend | trans | 28.3 | 90.8 | 147.2 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | ||
| 786 | D | 39.9 | Very low | 41.4 | Very low | 88 Ų | 88 | 106.6 Ų | 106.6 | 47% | 0.471 | 60% | 0.599 | S | S | . | * | 164.2 | 87.9 | 124.3 | -72.1 | -17.1 | 0 | 0 | 0 | 107 | S784 E788 S789 A790 | S784-D786 PolarHBondContact O-N 3.44Å; D786-E788 HydrophobicContact CB-CB 4.24Å; D786-E788 PolarHBondContact O-N 3.07Å; D786-E788 VanDerWaalsContact O-N 3.16Å; D786-S789 VanDerWaalsContact CB-CB 3.5Å; D786-S789 VanDerWaalsContact CB-N 3.32Å; D786-S789 WeakPolarHBondContact CB-OG 3.18Å; D786-S789 PolarHBondContact O-N 3.03Å; D786-S789 PolarHBondContact OD2-OG 3.23Å; D786-A790 PolarHBondContact O-N 2.85Å | |||
| 787 | Q | 43 | Very low | 40.5 | Very low | 181 Ų | 181 | 104.7 Ų | 104.7 | 85% | 0.846 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -48.5 | -31.2 | 153.1 | -96.2 | 178.6 | -31.2 | 0 | 0 | 109.6 | S789 A790 L791 | Q787-S789 VanDerWaalsContact C-N 3.35Å; Q787-S789 PolarHBondContact O-N 3.33Å; Q787-A790 PolarHBondContact O-N 3.06Å; Q787-L791 WeakPolarHBondContact O-CB 3.31Å; Q787-L791 PolarHBondContact O-N 3.48Å |
| 788 | E | 41.2 | Very low | 39.6 | Very low | 152 Ų | 152 | 101.5 Ų | 101.5 | 71% | 0.71 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -60.7 | -31.8 | 169.4 | -67.7 | -172.4 | 166.2 | 0 | 0 | 114.4 | D786 A792 | D786-E788 HydrophobicContact CB-CB 4.24Å; D786-E788 PolarHBondContact O-N 3.07Å; D786-E788 VanDerWaalsContact O-N 3.16Å; E788-A792 VanDerWaalsContact O-CA 3.28Å; E788-A792 WeakPolarHBondContact O-CA 3.18Å; E788-A792 WeakPolarHBondContact O-CB 3.47Å; E788-A792 PolarHBondContact O-N 3.17Å |
| 789 | S | 44.8 | Very low | 39.1 | Very low | 65 Ų | 65 | 100.3 Ų | 100.3 | 46% | 0.455 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -81.9 | -34.4 | 179.3 | -77.5 | 0 | 0 | 0 | 0 | 112 | D786 Q787 A793 | D786-S789 VanDerWaalsContact CB-CB 3.5Å; D786-S789 VanDerWaalsContact CB-N 3.32Å; D786-S789 WeakPolarHBondContact CB-OG 3.18Å; D786-S789 PolarHBondContact O-N 3.03Å; D786-S789 PolarHBondContact OD2-OG 3.23Å; Q787-S789 VanDerWaalsContact C-N 3.35Å; Q787-S789 PolarHBondContact O-N 3.33Å; S789-A793 WeakPolarHBondContact O-CB 3.4Å; S789-A793 PolarHBondContact O-N 3.42Å |
| 790 | A | 47.2 | Very low | 38.8 | Very low | 71 Ų | 71 | 101.1 Ų | 101.1 | 59% | 0.587 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.7 | -40.6 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | D786 Q787 A793 A794 | D786-A790 PolarHBondContact O-N 2.85Å; Q787-A790 PolarHBondContact O-N 3.06Å; A790-A793 PolarHBondContact O-N 2.79Å; A790-A794 VanDerWaalsContact O-CB 3.27Å; A790-A794 WeakPolarHBondContact O-CB 3.18Å; A790-A794 PolarHBondContact O-N 3.39Å |
| 791 | L | 45.1 | Very low | 38.9 | Very low | 100 Ų | 100 | 100 Ų | 100 | 52% | 0.524 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.1 | -32 | 173.9 | -146.6 | 163.1 | 0 | 0 | 0 | 110.7 | Q787 A794 Q795 | Q787-L791 WeakPolarHBondContact O-CB 3.31Å; Q787-L791 PolarHBondContact O-N 3.48Å; L791-A794 CarbonylContact O-C 3.56Å; L791-A794 PolarHBondContact O-N 2.83Å; L791-Q795 VanDerWaalsContact CD2-CD 3.48Å; L791-Q795 HydrophobicContact CD2-CG 3.82Å; L791-Q795 WeakPolarHBondContact O-CA 3.3Å; L791-Q795 WeakPolarHBondContact O-CB 3.27Å; L791-Q795 VanDerWaalsContact O-CG 3.27Å; L791-Q795 WeakPolarHBondContact O-CG 3.46Å; L791-Q795 PolarHBondContact O-N 2.84Å |
| 792 | A | 40.2 | Very low | 39.2 | Very low | 35 Ų | 35 | 98.8 Ų | 98.8 | 29% | 0.289 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -75.3 | -30.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E788 L796 | E788-A792 VanDerWaalsContact O-CA 3.28Å; E788-A792 WeakPolarHBondContact O-CA 3.18Å; E788-A792 WeakPolarHBondContact O-CB 3.47Å; E788-A792 PolarHBondContact O-N 3.17Å; A792-L796 WeakPolarHBondContact O-CA 3.19Å; A792-L796 WeakPolarHBondContact O-CB 3.26Å; A792-L796 WeakPolarHBondContact O-CD1 3.44Å; A792-L796 WeakPolarHBondContact O-CG 3.34Å; A792-L796 PolarHBondContact O-N 2.79Å |
| 793 | A | 44.4 | Very low | 39.6 | Very low | 60 Ų | 60 | 98.5 Ų | 98.5 | 50% | 0.496 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.9 | -39.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S789 A790 A797 | S789-A793 WeakPolarHBondContact O-CB 3.4Å; S789-A793 PolarHBondContact O-N 3.42Å; A790-A793 PolarHBondContact O-N 2.79Å; A793-A797 WeakPolarHBondContact O-CB 3.5Å; A793-A797 PolarHBondContact O-N 3.42Å |
| 794 | A | 43.5 | Very low | 40.2 | Very low | 60 Ų | 60 | 96.4 Ų | 96.4 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66.7 | -36.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A790 L791 A797 A798 | A790-A794 VanDerWaalsContact O-CB 3.27Å; A790-A794 WeakPolarHBondContact O-CB 3.18Å; A790-A794 PolarHBondContact O-N 3.39Å; L791-A794 CarbonylContact O-C 3.56Å; L791-A794 PolarHBondContact O-N 2.83Å; A794-A797 CarbonylContact O-C 3.55Å; A794-A798 WeakPolarHBondContact O-CB 3.22Å; A794-A798 PolarHBondContact O-N 3.06Å |
| 795 | Q | 39.6 | Very low | 40.9 | Very low | 111 Ų | 111 | 96.9 Ų | 96.9 | 52% | 0.519 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -76.3 | -37.1 | 175.4 | -84.1 | 172.3 | -18.5 | 0 | 0 | 111.7 | L791 A797 A798 V799 | L791-Q795 VanDerWaalsContact CD2-CD 3.48Å; L791-Q795 HydrophobicContact CD2-CG 3.82Å; L791-Q795 WeakPolarHBondContact O-CA 3.3Å; L791-Q795 WeakPolarHBondContact O-CB 3.27Å; L791-Q795 VanDerWaalsContact O-CG 3.27Å; L791-Q795 WeakPolarHBondContact O-CG 3.46Å; L791-Q795 PolarHBondContact O-N 2.84Å; Q795-A797 VanDerWaalsContact C-N 3.31Å; Q795-A798 CarbonylContact O-C 3.58Å; Q795-A798 WeakPolarHBondContact O-CA 3.36Å; Q795-A798 PolarHBondContact O-N 3.08Å; Q795-A798 VanDerWaalsContact O-N 3.13Å; Q795-V799 VanDerWaalsContact O-CB 3.29Å; Q795-V799 WeakPolarHBondContact O-CB 3.2Å; Q795-V799 WeakPolarHBondContact O-CG2 3.2Å; Q795-V799 PolarHBondContact O-N 2.88Å |
| 796 | L | 39.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 94.1 Ų | 94.1 | 62% | 0.623 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.4 | -35.8 | 171.1 | -88.3 | 159.3 | 0 | 0 | 0 | 110.3 | A792 V799 K800 | A792-L796 WeakPolarHBondContact O-CA 3.19Å; A792-L796 WeakPolarHBondContact O-CB 3.26Å; A792-L796 WeakPolarHBondContact O-CD1 3.44Å; A792-L796 WeakPolarHBondContact O-CG 3.34Å; A792-L796 PolarHBondContact O-N 2.79Å; L796-V799 PolarHBondContact O-N 3.13Å; L796-K800 VanDerWaalsContact O-CB 3.31Å; L796-K800 WeakPolarHBondContact O-CB 3.18Å; L796-K800 PolarHBondContact O-N 3.04Å |
| 797 | A | 42.4 | Very low | 41.8 | Very low | 31 Ų | 31 | 90.7 Ų | 90.7 | 26% | 0.256 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.2 | -35.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A793 A794 Q795 L801 | A793-A797 WeakPolarHBondContact O-CB 3.5Å; A793-A797 PolarHBondContact O-N 3.42Å; A794-A797 CarbonylContact O-C 3.55Å; Q795-A797 VanDerWaalsContact C-N 3.31Å; A797-L801 PolarHBondContact O-N 3.17Å |
| 798 | A | 37.5 | Very low | 41.9 | Very low | 53 Ų | 53 | 85.2 Ų | 85.2 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -74.7 | -25 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A794 Q795 L801 | A794-A798 WeakPolarHBondContact O-CB 3.22Å; A794-A798 PolarHBondContact O-N 3.06Å; Q795-A798 CarbonylContact O-C 3.58Å; Q795-A798 WeakPolarHBondContact O-CA 3.36Å; Q795-A798 PolarHBondContact O-N 3.08Å; Q795-A798 VanDerWaalsContact O-N 3.13Å; A798-L801 VanDerWaalsContact C-CB 3.49Å; A798-L801 WeakPolarHBondContact O-CB 3.31Å; A798-L801 PolarHBondContact O-N 2.95Å |
| 799 | V | 33.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 84.1 Ų | 84.1 | 67% | 0.667 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -85.9 | -33.8 | 175 | 170.2 | 0 | 0 | 0 | 0 | 109.7 | Q795 L796 L801 | Q795-V799 VanDerWaalsContact O-CB 3.29Å; Q795-V799 WeakPolarHBondContact O-CB 3.2Å; Q795-V799 WeakPolarHBondContact O-CG2 3.2Å; Q795-V799 PolarHBondContact O-N 2.88Å; L796-V799 PolarHBondContact O-N 3.13Å; V799-L801 PolarHBondContact O-N 3.42Å |
| 800 | K | 34.9 | Very low | 42.3 | Very low | 183 Ų | 183 | 81.9 Ų | 81.9 | 80% | 0.796 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -8.7 | 163.6 | -92.6 | -179.2 | 171.5 | 176.1 | 0 | 113.9 | L796 S802 | L796-K800 VanDerWaalsContact O-CB 3.31Å; L796-K800 WeakPolarHBondContact O-CB 3.18Å; L796-K800 PolarHBondContact O-N 3.04Å; K800-S802 PolarHBondContact O-N 2.92Å |
| 801 | L | 37.8 | Very low | 42.3 | Very low | 66 Ų | 66 | 78.8 Ų | 78.8 | 35% | 0.346 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.5 | 179.2 | -146.8 | 82.8 | 0 | 0 | 0 | 112.9 | A797 A798 V799 L803 | A797-L801 PolarHBondContact O-N 3.17Å; A798-L801 VanDerWaalsContact C-CB 3.49Å; A798-L801 WeakPolarHBondContact O-CB 3.31Å; A798-L801 PolarHBondContact O-N 2.95Å; V799-L801 PolarHBondContact O-N 3.42Å; L801-L803 PolarHBondContact O-N 3.42Å |
| 802 | S | 38.9 | Very low | 42.3 | Very low | 92 Ų | 92 | 76 Ų | 76 | 64% | 0.643 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -66 | 94.8 | 174 | 160.9 | 0 | 0 | 0 | 0 | 110.4 | K800 | K800-S802 PolarHBondContact O-N 2.92Š|
| 803 | L | 39.7 | Very low | 42.7 | Very low | 146 Ų | 146 | 76.4 Ų | 76.4 | 76% | 0.764 | 47% | 0.471 | S | S | * | . | trans | 46.2 | 96.2 | 172.5 | -76 | 86.4 | 0 | 0 | 0 | 113.3 | L801 P805 | L801-L803 PolarHBondContact O-N 3.42Å; L803-P805 WeakPolarHBondContact O-CD 3.37Å | ||
| 804 | N | 42.7 | Very low | 42.9 | Very low | 104 Ų | 104 | 77.6 Ų | 77.6 | 56% | 0.556 | 46% | 0.463 | S | S | * | . | trans | -88.3 | 88.2 | 152 | -170.6 | -8.2 | 0 | 0 | 0 | 108.3 | A806 A807 S808 | N804-A806 PolarHBondContact O-N 3.21Å; N804-A806 VanDerWaalsContact O-N 3.13Å; N804-A806 VanDerWaalsContact OD1-CB 3.23Å; N804-A806 WeakPolarHBondContact OD1-CB 3.22Å; N804-A806 PolarHBondContact OD1-N 3.15Å; N804-A806 VanDerWaalsContact OD1-N 3.1Å; N804-A807 HydrophobicContact CB-CB 3.96Å; N804-A807 WeakPolarHBondContact O-CB 3.47Å; N804-A807 PolarHBondContact O-N 2.72Å; N804-A807 PolarHBondContact OD1-N 2.87Å; N804-S808 PolarHBondContact O-N 3.14Å | ||
| 805 | P | 45.9 | Very low | 43 | Very low | 84 Ų | 84 | 77.3 Ų | 77.3 | 55% | 0.545 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -60.1 | -21.1 | 176.7 | 24.8 | -33.6 | 0 | 0 | 0 | 112.1 | L803 A807 S808 L809 | L803-P805 WeakPolarHBondContact O-CD 3.37Å; P805-A807 VanDerWaalsContact C-N 3.34Å; P805-S808 WeakPolarHBondContact CA-OG 3.41Å; P805-S808 PolarHBondContact O-OG 2.94Å; P805-S808 VanDerWaalsContact O-OG 3.05Å; P805-L809 WeakPolarHBondContact O-CB 3.35Å; P805-L809 PolarHBondContact O-N 3.18Å |
| 806 | A | 48.6 | Very low | 43.3 | Very low | 65 Ų | 65 | 77.2 Ų | 77.2 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.1 | -29.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | N804 G810 | N804-A806 PolarHBondContact O-N 3.21Å; N804-A806 VanDerWaalsContact O-N 3.13Å; N804-A806 VanDerWaalsContact OD1-CB 3.23Å; N804-A806 WeakPolarHBondContact OD1-CB 3.22Å; N804-A806 PolarHBondContact OD1-N 3.15Å; N804-A806 VanDerWaalsContact OD1-N 3.1Å; A806-G810 WeakPolarHBondContact O-CA 3.18Å; A806-G810 PolarHBondContact O-N 3.44Å |
| 807 | A | 47.6 | Very low | 43.6 | Very low | 16 Ų | 16 | 74.7 Ų | 74.7 | 13% | 0.132 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.1 | -44.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N804 P805 G810 A811 | N804-A807 HydrophobicContact CB-CB 3.96Å; N804-A807 WeakPolarHBondContact O-CB 3.47Å; N804-A807 PolarHBondContact O-N 2.72Å; N804-A807 PolarHBondContact OD1-N 2.87Å; P805-A807 VanDerWaalsContact C-N 3.34Å; A807-G810 PolarHBondContact O-N 3.49Å; A807-A811 VanDerWaalsContact O-CB 3.28Å; A807-A811 WeakPolarHBondContact O-CB 3.23Å; A807-A811 PolarHBondContact O-N 3.2Å |
| 808 | S | 44.9 | Very low | 43.6 | Very low | 67 Ų | 67 | 78.2 Ų | 78.2 | 47% | 0.469 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.9 | -39.1 | 176.4 | 54.5 | 0 | 0 | 0 | 0 | 112.9 | N804 P805 A811 A812 | N804-S808 PolarHBondContact O-N 3.14Å; P805-S808 WeakPolarHBondContact CA-OG 3.41Å; P805-S808 PolarHBondContact O-OG 2.94Å; P805-S808 VanDerWaalsContact O-OG 3.05Å; S808-A811 PolarHBondContact O-N 3.14Å; S808-A812 WeakPolarHBondContact O-CB 3.45Å; S808-A812 PolarHBondContact O-N 3.41Å |
| 809 | L | 47.7 | Very low | 44.1 | Very low | 129 Ų | 129 | 77.7 Ų | 77.7 | 68% | 0.675 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -65.6 | -42.1 | 173.3 | -169.4 | 73.5 | 0 | 0 | 0 | 111.4 | P805 A812 A813 | P805-L809 WeakPolarHBondContact O-CB 3.35Å; P805-L809 PolarHBondContact O-N 3.18Å; L809-A812 PolarHBondContact O-N 3.24Å; L809-A813 WeakPolarHBondContact O-CB 3.35Å; L809-A813 PolarHBondContact O-N 2.92Å |
| 810 | G | 47.5 | Very low | 44.5 | Very low | 18 Ų | 18 | 75.7 Ų | 75.7 | 19% | 0.186 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A806 A807 A813 R814 | A806-G810 WeakPolarHBondContact O-CA 3.18Å; A806-G810 PolarHBondContact O-N 3.44Å; A807-G810 PolarHBondContact O-N 3.49Å; G810-A813 PolarHBondContact O-N 3.33Å; G810-R814 VanDerWaalsContact C-CZ 3.47Å; G810-R814 WeakPolarHBondContact O-CB 3.31Å; G810-R814 VanDerWaalsContact O-CG 3.3Å; G810-R814 WeakPolarHBondContact O-CG 3.44Å; G810-R814 PolarHBondContact O-N 2.9Å; G810-R814 PolarHBondContact O-NE 3.06Å |
| 811 | A | 47.2 | Very low | 44.9 | Very low | 6 Ų | 6 | 75.5 Ų | 75.5 | 5% | 0.05 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.4 | -47.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D679 A807 S808 R814 A815 | D679-A811 HydrophobicContact CB-CB 3.7Å; A807-A811 VanDerWaalsContact O-CB 3.28Å; A807-A811 WeakPolarHBondContact O-CB 3.23Å; A807-A811 PolarHBondContact O-N 3.2Å; S808-A811 PolarHBondContact O-N 3.14Å; A811-R814 PolarHBondContact O-N 2.69Å; A811-A815 WeakPolarHBondContact O-CB 2.96Å; A811-A815 PolarHBondContact O-N 2.81Å |
| 812 | A | 44.9 | Very low | 45 | Very low | 40 Ų | 40 | 77.4 Ų | 77.4 | 33% | 0.331 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -51.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S808 L809 R814 A815 F816 | S808-A812 WeakPolarHBondContact O-CB 3.45Å; S808-A812 PolarHBondContact O-N 3.41Å; L809-A812 PolarHBondContact O-N 3.24Å; A812-R814 VanDerWaalsContact C-N 3.28Å; A812-R814 PolarHBondContact O-N 3.41Å; A812-A815 PolarHBondContact O-N 3.25Å; A812-A815 VanDerWaalsContact O-N 3.17Å; A812-F816 HydrophobicContact CB-CD2 4.39Å; A812-F816 HydrophobicContact CB-CE2 4.16Å; A812-F816 WeakPolarHBondContact O-CD2 3.44Å; A812-F816 WeakPolarHBondContact O-CG 3.47Å; A812-F816 PolarHBondContact O-N 3.14Å |
| 813 | A | 48.1 | Very low | 45.1 | Very low | 45 Ų | 45 | 82.2 Ų | 82.2 | 37% | 0.372 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -57.7 | -38.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | L809 G810 F816 S817 | L809-A813 WeakPolarHBondContact O-CB 3.35Å; L809-A813 PolarHBondContact O-N 2.92Å; G810-A813 PolarHBondContact O-N 3.33Å; A813-F816 PolarHBondContact O-N 2.75Å; A813-S817 WeakPolarHBondContact O-CB 3.48Å; A813-S817 PolarHBondContact O-N 2.89Å |
| 814 | R | 47.9 | Very low | 45.2 | Very low | 85 Ų | 85 | 79.2 Ų | 79.2 | 32% | 0.321 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.9 | -39.4 | 175.7 | -74.4 | -174.9 | -62.6 | -94 | 0.1 | 113.1 | G810 A811 A812 F816 S817 K818 | G810-R814 VanDerWaalsContact C-CZ 3.47Å; G810-R814 WeakPolarHBondContact O-CB 3.31Å; G810-R814 VanDerWaalsContact O-CG 3.3Å; G810-R814 WeakPolarHBondContact O-CG 3.44Å; G810-R814 PolarHBondContact O-N 2.9Å; G810-R814 PolarHBondContact O-NE 3.06Å; A811-R814 PolarHBondContact O-N 2.69Å; A812-R814 VanDerWaalsContact C-N 3.28Å; A812-R814 PolarHBondContact O-N 3.41Å; R814-F816 PolarHBondContact O-N 3.17Å; R814-S817 PolarHBondContact O-N 2.81Å; R814-K818 WeakPolarHBondContact O-CB 2.93Å; R814-K818 PolarHBondContact O-N 3.01Å |
| 815 | A | 47.3 | Very low | 45.2 | Very low | 53 Ų | 53 | 77.5 Ų | 77.5 | 44% | 0.438 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -59.3 | -39.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A811 A812 A819 | A811-A815 WeakPolarHBondContact O-CB 2.96Å; A811-A815 PolarHBondContact O-N 2.81Å; A812-A815 PolarHBondContact O-N 3.25Å; A812-A815 VanDerWaalsContact O-N 3.17Å; A815-A819 WeakPolarHBondContact O-CB 3.11Å; A815-A819 PolarHBondContact O-N 2.9Å; A815-A819 VanDerWaalsContact O-N 3.13Å |
| 816 | F | 45.3 | Very low | 45.4 | Very low | 109 Ų | 109 | 77.1 Ų | 77.1 | 48% | 0.478 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -72.7 | -32.8 | 175.3 | -70.1 | -60.6 | 0 | 0 | 0 | 113.8 | A812 A813 R814 A819 R821 I825 | A812-F816 HydrophobicContact CB-CD2 4.39Å; A812-F816 HydrophobicContact CB-CE2 4.16Å; A812-F816 WeakPolarHBondContact O-CD2 3.44Å; A812-F816 WeakPolarHBondContact O-CG 3.47Å; A812-F816 PolarHBondContact O-N 3.14Å; A813-F816 PolarHBondContact O-N 2.75Å; R814-F816 PolarHBondContact O-N 3.17Å; F816-A819 PolarHBondContact O-N 3.37Å; F816-R821 PolarHBondContact O-N 3.25Å; F816-I825 HydrophobicContact CB-CD1 4.4Å; F816-I825 HydrophobicContact CG-CD1 4.48Å |
| 817 | S | 45.9 | Very low | 45.1 | Very low | 66 Ų | 66 | 78.6 Ų | 78.6 | 46% | 0.462 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.9 | -48.5 | 170.7 | -179 | 0 | 0 | 0 | 0 | 112.2 | A813 R814 A819 G820 | A813-S817 WeakPolarHBondContact O-CB 3.48Å; A813-S817 PolarHBondContact O-N 2.89Å; R814-S817 PolarHBondContact O-N 2.81Å; S817-A819 PolarHBondContact O-N 2.97Å; S817-G820 PolarHBondContact O-N 3.04Å |
| 818 | K | 42.7 | Very low | 45 | Very low | 105 Ų | 105 | 81.2 Ų | 81.2 | 46% | 0.457 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.6 | -31.4 | 174.6 | -78.3 | -173.6 | -173 | -178 | 0 | 112.5 | R747 R814 G820 | R747-K818 VanDerWaalsContact NH1-CE 3.25Å; R814-K818 WeakPolarHBondContact O-CB 2.93Å; R814-K818 PolarHBondContact O-N 3.01Å; K818-G820 PolarHBondContact O-N 3.27Å |
| 819 | A | 47.9 | Very low | 44.9 | Very low | 43 Ų | 43 | 83.3 Ų | 83.3 | 36% | 0.355 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | 6.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A815 F816 S817 R821 | A815-A819 WeakPolarHBondContact O-CB 3.11Å; A815-A819 PolarHBondContact O-N 2.9Å; A815-A819 VanDerWaalsContact O-N 3.13Å; F816-A819 PolarHBondContact O-N 3.37Å; S817-A819 PolarHBondContact O-N 2.97Å; A819-R821 PolarHBondContact O-N 3.28Å; A819-R821 VanDerWaalsContact O-N 3.12Å |
| 820 | G | 40.2 | Very low | 45 | Very low | 67 Ų | 67 | 82.8 Ų | 82.8 | 69% | 0.691 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 13.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | S817 K818 | S817-G820 PolarHBondContact O-N 3.04Å; K818-G820 PolarHBondContact O-N 3.27Å |
| 821 | R | 43.5 | Very low | 45 | Very low | 179 Ų | 179 | 90.7 Ų | 90.7 | 68% | 0.675 | 48% | 0.475 | S | S | * | . | trans | -100.5 | 19.1 | -174.1 | -71.7 | -171 | -177.6 | -170.8 | 1.6 | 114.5 | F816 A819 R823 C824 | F816-R821 PolarHBondContact O-N 3.25Å; A819-R821 PolarHBondContact O-N 3.28Å; A819-R821 VanDerWaalsContact O-N 3.12Å; R821-R823 PolarHBondContact O-N 3.41Å; R821-C824 PolarHBondContact O-N 3.29Å | ||
| 822 | F | 40.7 | Very low | 44.8 | Very low | 107 Ų | 107 | 97.3 Ų | 97.3 | 47% | 0.469 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -30 | -179.9 | -129 | -98.4 | 0 | 0 | 0 | 113.1 | C824 I825 V826 | F822-C824 PolarHBondContact O-N 3.18Å; F822-I825 PolarHBondContact O-N 3.4Å; F822-V826 HydrophobicContact CD1-CG2 4.35Å; F822-V826 PolarHBondContact O-N 3.17Å; F822-V826 VanDerWaalsContact O-N 3.14Å |
| 823 | R | 40.6 | Very low | 44.7 | Very low | 192 Ų | 192 | 102.6 Ų | 102.6 | 73% | 0.725 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -38.8 | 179.9 | -169.2 | 176.1 | 175.8 | 162.1 | 1.9 | 113.1 | R821 I825 E827 | R821-R823 PolarHBondContact O-N 3.41Å; R823-I825 VanDerWaalsContact C-N 3.3Å; R823-I825 PolarHBondContact O-N 3.43Å; R823-E827 IonicContact NE-OE1 3.54Å; R823-E827 PolarHBondContact O-N 2.62Å; R823-E827 VanDerWaalsContact O-N 3.13Å |
| 824 | C | 42.6 | Very low | 44.5 | Very low | 84 Ų | 84 | 111.1 Ų | 111.1 | 57% | 0.568 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.5 | -32.5 | 178.6 | -78.7 | 0 | 0 | 0 | 0 | 112.5 | R821 F822 C828 | R821-C824 PolarHBondContact O-N 3.29Å; F822-C824 PolarHBondContact O-N 3.18Å; C824-C828 WeakPolarHBondContact O-CB 3.35Å; C824-C828 PolarHBondContact O-N 3.35Å |
| 825 | I | 42.7 | Very low | 44.2 | Very low | 67 Ų | 67 | 113 Ų | 113 | 34% | 0.344 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -80 | -37.7 | -179.7 | -68.5 | 170.9 | 0 | 0 | 0 | 111.4 | F816 F822 R823 E827 C828 L829 | F816-I825 HydrophobicContact CB-CD1 4.4Å; F816-I825 HydrophobicContact CG-CD1 4.48Å; F822-I825 PolarHBondContact O-N 3.4Å; R823-I825 VanDerWaalsContact C-N 3.3Å; R823-I825 PolarHBondContact O-N 3.43Å; I825-E827 VanDerWaalsContact C-N 3.27Å; I825-E827 PolarHBondContact O-N 3.02Å; I825-C828 CarbonylContact O-C 3.52Å; I825-C828 PolarHBondContact O-N 2.94Å; I825-C828 VanDerWaalsContact O-N 3.15Å; I825-L829 HydrophobicContact CG2-CD1 3.52Å; I825-L829 HydrophobicContact CG2-CG 3.92Å; I825-L829 VanDerWaalsContact O-CB 3.31Å; I825-L829 WeakPolarHBondContact O-CB 3.21Å; I825-L829 WeakPolarHBondContact O-CG 3.45Å; I825-L829 PolarHBondContact O-N 3.35Å |
| 826 | V | 48.7 | Very low | 43.8 | Very low | 76 Ų | 76 | 122 Ų | 122 | 46% | 0.461 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.3 | -41.2 | 171.8 | 177.9 | 0 | 0 | 0 | 0 | 109.8 | F822 C828 M830 | F822-V826 HydrophobicContact CD1-CG2 4.35Å; F822-V826 PolarHBondContact O-N 3.17Å; F822-V826 VanDerWaalsContact O-N 3.14Å; V826-C828 PolarHBondContact O-N 3.41Å; V826-M830 HydrophobicContact CG1-CG 3.93Å; V826-M830 WeakPolarHBondContact O-CB 3.35Å; V826-M830 WeakPolarHBondContact O-CG 3.35Å; V826-M830 PolarHBondContact O-N 3.1Å |
| 827 | E | 42.7 | Very low | 43.7 | Very low | 97 Ų | 97 | 122.6 Ų | 122.6 | 45% | 0.453 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.5 | -36.8 | 173.3 | -76.5 | 177.7 | -174.7 | 0 | 0 | 113 | R823 I825 R831 | R823-E827 IonicContact NE-OE1 3.54Å; R823-E827 PolarHBondContact O-N 2.62Å; R823-E827 VanDerWaalsContact O-N 3.13Å; I825-E827 VanDerWaalsContact C-N 3.27Å; I825-E827 PolarHBondContact O-N 3.02Å; E827-R831 WeakPolarHBondContact O-CB 3.25Å; E827-R831 WeakPolarHBondContact O-CG 3.2Å; E827-R831 PolarHBondContact O-N 3.19Å |
| 828 | C | 45 | Very low | 43.6 | Very low | 71 Ų | 71 | 125.6 Ų | 125.6 | 48% | 0.48 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -70.7 | -43.7 | 175.7 | -106.8 | 0 | 0 | 0 | 0 | 113.2 | C824 I825 V826 R831 H832 | C824-C828 WeakPolarHBondContact O-CB 3.35Å; C824-C828 PolarHBondContact O-N 3.35Å; I825-C828 CarbonylContact O-C 3.52Å; I825-C828 PolarHBondContact O-N 2.94Å; I825-C828 VanDerWaalsContact O-N 3.15Å; V826-C828 PolarHBondContact O-N 3.41Å; C828-R831 WeakPolarHBondContact O-CB 3.48Å; C828-R831 PolarHBondContact O-N 3.49Å; C828-H832 PolarHBondContact O-CD2 2.74Å; C828-H832 PolarHBondContact O-N 3.49Å |
| 829 | L | 44.4 | Very low | 43.6 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.6 | -40 | 177.8 | -75.5 | 170.1 | 0 | 0 | 0 | 111 | I825 R831 H832 Q833 | I825-L829 HydrophobicContact CG2-CD1 3.52Å; I825-L829 HydrophobicContact CG2-CG 3.92Å; I825-L829 VanDerWaalsContact O-CB 3.31Å; I825-L829 WeakPolarHBondContact O-CB 3.21Å; I825-L829 WeakPolarHBondContact O-CG 3.45Å; I825-L829 PolarHBondContact O-N 3.35Å; L829-R831 VanDerWaalsContact C-N 3.26Å; L829-R831 PolarHBondContact O-N 3.22Å; L829-H832 PolarHBondContact O-N 3.21Å; L829-Q833 PolarHBondContact O-N 3.13Å |
| 830 | M | 49.5 | Very low | 43.4 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 58% | 0.581 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.4 | -25.7 | 174.1 | -66.3 | -74.3 | -82.7 | 0 | 0 | 112.3 | V826 | V826-M830 HydrophobicContact CG1-CG 3.93Å; V826-M830 WeakPolarHBondContact O-CB 3.35Å; V826-M830 WeakPolarHBondContact O-CG 3.35Å; V826-M830 PolarHBondContact O-N 3.1Å |
| 831 | R | 45.9 | Very low | 43.6 | Very low | 185 Ų | 185 | 135.7 Ų | 135.7 | 70% | 0.698 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -73.9 | -38 | 169.5 | -81.5 | 176.4 | -176.6 | -171.5 | 2.8 | 112.1 | E827 C828 L829 R834 | E827-R831 WeakPolarHBondContact O-CB 3.25Å; E827-R831 WeakPolarHBondContact O-CG 3.2Å; E827-R831 PolarHBondContact O-N 3.19Å; C828-R831 WeakPolarHBondContact O-CB 3.48Å; C828-R831 PolarHBondContact O-N 3.49Å; L829-R831 VanDerWaalsContact C-N 3.26Å; L829-R831 PolarHBondContact O-N 3.22Å; R831-R834 PolarHBondContact O-N 3.16Å |
| 832 | H | 43.7 | Very low | 43.6 | Very low | 145 Ų | 145 | 132.8 Ų | 132.8 | 67% | 0.671 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -71 | -33.5 | 177.4 | -89.8 | -73.8 | 0 | 0 | 0 | 113.1 | C828 L829 R834 V835 | C828-H832 PolarHBondContact O-CD2 2.74Å; C828-H832 PolarHBondContact O-N 3.49Å; L829-H832 PolarHBondContact O-N 3.21Å; H832-R834 PolarHBondContact O-N 2.92Å; H832-V835 PolarHBondContact O-N 3.05Å |
| 833 | Q | 43.4 | Very low | 43.8 | Very low | 151 Ų | 151 | 134.6 Ų | 134.6 | 71% | 0.706 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -2.4 | 174.5 | -90.3 | -172.1 | -21.7 | 0 | 0 | 115.1 | L829 | L829-Q833 PolarHBondContact O-N 3.13Š|
| 834 | R | 43.4 | Very low | 44 | Very low | 223 Ų | 223 | 130.2 Ų | 130.2 | 84% | 0.842 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 5.7 | 173.7 | -82.2 | -172.1 | 175.8 | -173.7 | -1.1 | 113.9 | R831 H832 | R831-R834 PolarHBondContact O-N 3.16Å; H832-R834 PolarHBondContact O-N 2.92Å |
| 835 | V | 42.1 | Very low | 44.1 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 76% | 0.758 | 64% | 0.641 | S | S | * | * | trans | -115.8 | 11.5 | 179.6 | -170 | 0 | 0 | 0 | 0 | 112.3 | H832 | H832-V835 PolarHBondContact O-N 3.05Š| ||
| 836 | E | 37.8 | Very low | 44.2 | Very low | 241 Ų | 241 | 140.2 Ų | 140.2 | 100% | 1.126 | 67% | 0.668 | S | S | * | * | trans | -115.6 | 0 | 155 | -70.5 | -179.2 | 173.3 | 0 | 0 | 108 |
Retrieved 836 of 836 residues in 721.3 ms
(Link to these results)