| 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 | 49.9 | Very low | 74 | Confident | 234 Ų | 234 | 113.6 Ų | 113.6 | 100% | 1.153 | 58% | 0.58 | S | S | * | * | 0 | 139 | 0 | -68.1 | -157.7 | -173.6 | 0 | 0 | 107.7 | E3 | M1-E3 PolarHBondContact O-N 3.45Š| |||
| 2 | P | 66.4 | Low | 73.3 | Confident | 126 Ų | 126 | 114.6 Ų | 114.6 | 82% | 0.818 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 132.2 | 173.3 | 26.9 | -30.6 | 0 | 0 | 0 | 108.9 | ||
| 3 | E | 74.8 | Confident | 72.6 | Confident | 101 Ų | 101 | 113.5 Ų | 113.5 | 47% | 0.472 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -55.8 | 139.8 | 175.3 | -82.3 | 179.7 | 153.3 | 0 | 0 | 110.3 | M1 L5 I8 | M1-E3 PolarHBondContact O-N 3.45Å; E3-L5 PolarHBondContact O-N 3.41Å; E3-I8 HydrophobicContact CB-CD1 4.06Å; E3-I8 HydrophobicContact CB-CG1 3.89Å |
| 4 | P | 84.6 | Confident | 71.7 | Confident | 69 Ų | 69 | 120.7 Ų | 120.7 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -56 | 134.9 | 170.8 | -19.8 | 30.2 | 0 | 0 | 0 | 110.6 | W6 E7 I8 | P4-W6 PolarHBondContact O-N 2.89Å; P4-E7 WeakPolarHBondContact CD-OE2 3.33Å; P4-E7 HydrophobicContact CG-CG 4.45Å; P4-E7 PolarHBondContact O-N 2.96Å; P4-I8 PolarHBondContact O-N 3.33Å |
| 5 | L | 78.7 | Confident | 70.3 | Confident | 124 Ų | 124 | 119.7 Ų | 119.7 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -52.5 | -29.5 | -179 | -165.9 | 122.2 | 0 | 0 | 0 | 113.2 | E3 A9 | E3-L5 PolarHBondContact O-N 3.41Å; L5-A9 WeakPolarHBondContact O-CB 3.21Å; L5-A9 PolarHBondContact O-N 3.5Å |
| 6 | W | 81.1 | Confident | 69.2 | Low | 191 Ų | 191 | 121.1 Ų | 121.1 | 72% | 0.723 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -70 | -37.3 | 176.5 | -48 | 131.4 | 0 | 0 | 0 | 113.6 | P4 A9 I10 | P4-W6 PolarHBondContact O-N 2.89Å; W6-A9 PolarHBondContact O-N 2.88Å; W6-I10 WeakPolarHBondContact O-CD1 3.41Å; W6-I10 WeakPolarHBondContact O-CG1 3.38Å; W6-I10 PolarHBondContact O-N 3.2Å |
| 7 | E | 81.1 | Confident | 68.3 | Low | 105 Ų | 105 | 119.2 Ų | 119.2 | 49% | 0.491 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.7 | -42.6 | 175.9 | -73.9 | -172.7 | 160.6 | 0 | 0 | 110.8 | P4 A9 I10 Q11 | P4-E7 WeakPolarHBondContact CD-OE2 3.33Å; P4-E7 HydrophobicContact CG-CG 4.45Å; P4-E7 PolarHBondContact O-N 2.96Å; E7-A9 VanDerWaalsContact C-N 3.3Å; E7-A9 PolarHBondContact O-N 2.86Å; E7-I10 PolarHBondContact O-N 2.9Å; E7-Q11 PolarHBondContact O-N 3.42Å |
| 8 | I | 78.3 | Confident | 68 | Low | 61 Ų | 61 | 114.5 Ų | 114.5 | 31% | 0.313 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.7 | -44.7 | 173.1 | -59.1 | 172.8 | 0 | 0 | 0 | 109.9 | E3 P4 I10 Q11 Q12 | E3-I8 HydrophobicContact CB-CD1 4.06Å; E3-I8 HydrophobicContact CB-CG1 3.89Å; P4-I8 PolarHBondContact O-N 3.33Å; I8-I10 PolarHBondContact O-N 3.46Å; I8-Q11 PolarHBondContact O-N 3.42Å; I8-Q12 HydrophobicContact CG2-CG 4.46Å; I8-Q12 WeakPolarHBondContact O-CB 3.36Å; I8-Q12 WeakPolarHBondContact O-CG 3.48Å; I8-Q12 PolarHBondContact O-N 3.35Å |
| 9 | A | 73.2 | Confident | 68.5 | Low | 43 Ų | 43 | 112 Ų | 112 | 36% | 0.355 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L5 W6 E7 Q12 N13 | L5-A9 WeakPolarHBondContact O-CB 3.21Å; L5-A9 PolarHBondContact O-N 3.5Å; W6-A9 PolarHBondContact O-N 2.88Å; E7-A9 VanDerWaalsContact C-N 3.3Å; E7-A9 PolarHBondContact O-N 2.86Å; A9-Q12 PolarHBondContact O-N 2.89Å; A9-N13 WeakPolarHBondContact O-CB 3.3Å; A9-N13 PolarHBondContact O-N 3.11Å |
| 10 | I | 76.1 | Confident | 69.5 | Low | 93 Ų | 93 | 111.3 Ų | 111.3 | 48% | 0.477 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.8 | -46.3 | 176.3 | -70.4 | 163.5 | 0 | 0 | 0 | 110.6 | W6 E7 I8 N13 R14 | W6-I10 WeakPolarHBondContact O-CD1 3.41Å; W6-I10 WeakPolarHBondContact O-CG1 3.38Å; W6-I10 PolarHBondContact O-N 3.2Å; E7-I10 PolarHBondContact O-N 2.9Å; I8-I10 PolarHBondContact O-N 3.46Å; I10-N13 PolarHBondContact O-N 3.19Å; I10-R14 WeakPolarHBondContact O-CG 3.46Å; I10-R14 PolarHBondContact O-N 3.19Å; I10-R14 VanDerWaalsContact O-N 3.09Å |
| 11 | Q | 70.2 | Confident | 70.7 | Confident | 103 Ų | 103 | 106.6 Ų | 106.6 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.9 | -77.5 | -179.2 | 6.7 | 0 | 0 | 110.8 | E7 I8 N13 R14 T15 | E7-Q11 PolarHBondContact O-N 3.42Å; I8-Q11 PolarHBondContact O-N 3.42Å; Q11-N13 VanDerWaalsContact C-N 3.32Å; Q11-N13 PolarHBondContact O-N 3.33Å; Q11-R14 PolarHBondContact O-N 2.98Å; Q11-T15 PolarHBondContact O-N 3.38Å; Q11-T15 VanDerWaalsContact O-N 3.11Å; Q11-T15 PolarHBondContact O-OG1 2.88Å |
| 12 | Q | 64.9 | Low | 72.9 | Confident | 125 Ų | 125 | 95.7 Ų | 95.7 | 58% | 0.584 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.5 | -37.4 | 177.8 | -77.5 | -172.1 | 2.4 | 0 | 0 | 113 | I8 A9 R14 T15 K16 | I8-Q12 HydrophobicContact CG2-CG 4.46Å; I8-Q12 WeakPolarHBondContact O-CB 3.36Å; I8-Q12 WeakPolarHBondContact O-CG 3.48Å; I8-Q12 PolarHBondContact O-N 3.35Å; A9-Q12 PolarHBondContact O-N 2.89Å; Q12-R14 VanDerWaalsContact C-N 3.33Å; Q12-T15 VanDerWaalsContact CA-OG1 3.3Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.33Å; Q12-T15 CarbonylContact O-C 3.54Å; Q12-T15 PolarHBondContact O-N 3.09Å; Q12-T15 PolarHBondContact O-OG1 3.47Å; Q12-K16 PolarHBondContact O-N 2.77Å |
| 13 | N | 64.6 | Low | 74.4 | Confident | 100 Ų | 100 | 89.8 Ų | 89.8 | 54% | 0.535 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.9 | -35.8 | 177.6 | -162.2 | 41.5 | 0 | 0 | 0 | 111.8 | A9 I10 Q11 T15 K16 | A9-N13 WeakPolarHBondContact O-CB 3.3Å; A9-N13 PolarHBondContact O-N 3.11Å; I10-N13 PolarHBondContact O-N 3.19Å; Q11-N13 VanDerWaalsContact C-N 3.32Å; Q11-N13 PolarHBondContact O-N 3.33Å; N13-T15 VanDerWaalsContact C-N 3.29Å; N13-T15 PolarHBondContact O-N 3.3Å; N13-K16 PolarHBondContact O-N 3.44Å; N13-K16 WeakPolarHBondContact OD1-CD 3.29Å; N13-K16 WeakPolarHBondContact OD1-CE 3.44Å; N13-K16 PolarHBondContact OD1-NZ 3.49Å |
| 14 | R | 59.4 | Low | 75.5 | Confident | 215 Ų | 215 | 85 Ų | 85 | 81% | 0.811 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.3 | -30.1 | 172.7 | -69.1 | 177.7 | -179.4 | -177.4 | 1.3 | 112.3 | I10 Q11 Q12 | I10-R14 WeakPolarHBondContact O-CG 3.46Å; I10-R14 PolarHBondContact O-N 3.19Å; I10-R14 VanDerWaalsContact O-N 3.09Å; Q11-R14 PolarHBondContact O-N 2.98Å; Q12-R14 VanDerWaalsContact C-N 3.33Å |
| 15 | T | 51.5 | Low | 76.2 | Confident | 105 Ų | 105 | 81.7 Ų | 81.7 | 64% | 0.644 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | 2.3 | 176.6 | 59.1 | 0 | 0 | 0 | 0 | 114.4 | Q11 Q12 N13 S17 | Q11-T15 PolarHBondContact O-N 3.38Å; Q11-T15 VanDerWaalsContact O-N 3.11Å; Q11-T15 PolarHBondContact O-OG1 2.88Å; Q12-T15 VanDerWaalsContact CA-OG1 3.3Å; Q12-T15 WeakPolarHBondContact CA-OG1 3.33Å; Q12-T15 CarbonylContact O-C 3.54Å; Q12-T15 PolarHBondContact O-N 3.09Å; Q12-T15 PolarHBondContact O-OG1 3.47Å; N13-T15 VanDerWaalsContact C-N 3.29Å; N13-T15 PolarHBondContact O-N 3.3Å; T15-S17 PolarHBondContact O-N 2.8Å |
| 16 | K | 52.2 | Low | 77.1 | Confident | 142 Ų | 142 | 75.8 Ų | 75.8 | 62% | 0.617 | 38% | 0.381 | S | S | * | . | trans | -61 | 99.3 | 179.2 | -90 | -172.6 | -176.3 | 173.1 | 0 | 110 | Q12 N13 G18 | Q12-K16 PolarHBondContact O-N 2.77Å; N13-K16 PolarHBondContact O-N 3.44Å; N13-K16 WeakPolarHBondContact OD1-CD 3.29Å; N13-K16 WeakPolarHBondContact OD1-CE 3.44Å; N13-K16 PolarHBondContact OD1-NZ 3.49Å; K16-G18 VanDerWaalsContact C-N 3.34Å | ||
| 17 | S | 53.6 | Low | 77.8 | Confident | 89 Ų | 89 | 66.7 Ų | 66.7 | 62% | 0.622 | 35% | 0.346 | S | S | * | . | trans | -100 | 26.3 | 165.6 | 95.4 | 0 | 0 | 0 | 0 | 111.6 | T15 T67 | T15-S17 PolarHBondContact O-N 2.8Å; S17-T67 VanDerWaalsContact OG-CG2 3.29Å; S17-T67 WeakPolarHBondContact OG-CG2 3.42Å | ||
| 18 | G | 63.1 | Low | 78.4 | Confident | 35 Ų | 35 | 62.7 Ų | 62.7 | 36% | 0.361 | 33% | 0.328 | S | S | . | . | trans | -75.9 | 133.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K16 | K16-G18 VanDerWaalsContact C-N 3.34Š| ||
| 19 | T | 77.8 | Confident | 79 | Confident | 67 Ų | 67 | 66 Ų | 66 | 41% | 0.411 | 34% | 0.341 | S | S | . | . | trans | -78.3 | 129 | 168.2 | 51.6 | 0 | 0 | 0 | 0 | 109.3 | V69 V70 | T19-V69 WeakPolarHBondContact O-CG1 3.37Å; T19-V69 WeakPolarHBondContact OG1-CG1 3.47Å; T19-V69 WeakPolarHBondContact OG1-CG2 3.41Å; T19-V70 PolarHBondContact O-N 3.03Å | ||
| 20 | E | 88.9 | Confident | 79.9 | Confident | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 127.9 | 175.7 | -64.1 | -177 | 171.1 | 0 | 0 | 109.7 | V70 H72 N97 | E20-V70 WeakPolarHBondContact CA-O 3.42Å; E20-V70 HydrophobicContact CG-CB 4.44Å; E20-H72 IonicContact OE2-NE2 3.41Å; E20-N97 WeakPolarHBondContact O-CB 3.01Å; E20-N97 PolarHBondContact O-ND2 2.98Å |
| 21 | N | 93.9 | Very high | 80.8 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 7% | 0.07 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 149.6 | 175 | -70.1 | -25.7 | 0 | 0 | 0 | 109.6 | L23 V70 S71 H72 A229 | N21-L23 HydrophobicContact CB-CD1 4.45Å; N21-V70 PolarHBondContact N-O 3.35Å; N21-S71 CarbonylContact O-C 3.54Å; N21-S71 WeakPolarHBondContact O-CA 3.38Å; N21-H72 PolarHBondContact O-N 3.04Å; N21-A229 PolarHBondContact ND2-O 2.8Å |
| 22 | T | 96.9 | Very high | 82 | Confident | 6 Ų | 6 | 58.1 Ų | 58.1 | 4% | 0.037 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 122.1 | 178 | -59 | 0 | 0 | 0 | 0 | 110.1 | H72 V89 N97 L98 H99 | T22-H72 CarbonylContact C-O 3.59Å; T22-H72 WeakPolarHBondContact CA-O 3.47Å; T22-H72 HydrophobicContact CG2-CB 4.22Å; T22-V89 HydrophobicContact CG2-CG1 4Å; T22-N97 PolarHBondContact N-O 2.89Å; T22-L98 HydrophobicContact CG2-CD2 3.43Å; T22-L98 VanDerWaalsContact CG2-CD2 3.43Å; T22-L98 HydrophobicContact CG2-CG 4.43Å; T22-L98 CarbonylContact O-C 3.5Å; T22-L98 WeakPolarHBondContact O-CA 3.34Å; T22-H99 PolarHBondContact O-N 3.06Å |
| 23 | L | 98 | Very high | 83.5 | Confident | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.8 | 177 | -80.6 | 58.8 | 0 | 0 | 0 | 108.6 | N21 F25 H72 I73 W74 H99 I101 I228 A229 | N21-L23 HydrophobicContact CB-CD1 4.45Å; L23-F25 HydrophobicContact CB-CE2 4.15Å; L23-F25 HydrophobicContact CD2-CE2 4.33Å; L23-H72 PolarHBondContact N-O 3.23Å; L23-I73 WeakPolarHBondContact O-CA 3.35Å; L23-W74 PolarHBondContact O-N 2.92Å; L23-H99 WeakPolarHBondContact CA-O 3.46Å; L23-H99 HydrophobicContact CG-CB 4.46Å; L23-I101 HydrophobicContact CB-CD1 4.33Å; L23-I101 HydrophobicContact CD2-CD1 3.88Å; L23-I101 HydrophobicContact CG-CD1 4.1Å; L23-I228 HydrophobicContact CD1-CG2 4.02Å; L23-I228 HydrophobicContact CD2-CG2 4.1Å; L23-I228 HydrophobicContact CG-CG2 4.02Å; L23-A229 HydrophobicContact CD1-CB 4.38Å; L23-A229 HydrophobicContact CD2-CB 4.03Å |
| 24 | I | 98.2 | Very high | 84.9 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 114.5 | 175 | -57 | 175.7 | 0 | 0 | 0 | 108.1 | W74 I86 V89 M90 L98 H99 L100 I101 | I24-W74 CarbonylContact C-O 3.54Å; I24-W74 WeakPolarHBondContact CA-O 3.18Å; I24-W74 HydrophobicContact CG1-CB 4.46Å; I24-I86 HydrophobicContact CD1-CG2 4.45Å; I24-V89 HydrophobicContact CD1-CB 3.94Å; I24-V89 HydrophobicContact CD1-CG1 3.73Å; I24-V89 HydrophobicContact CG1-CB 4.43Å; I24-V89 HydrophobicContact CG1-CG1 3.86Å; I24-M90 HydrophobicContact CD1-CE 3.74Å; I24-M90 HydrophobicContact CD1-CG 3.95Å; I24-L98 HydrophobicContact CD1-CD2 3.61Å; I24-L98 HydrophobicContact CG1-CD2 3.91Å; I24-H99 PolarHBondContact N-O 3.42Å; I24-L100 HydrophobicContact CB-CD1 4Å; I24-L100 HydrophobicContact CG2-CD1 3.98Å; I24-I101 PolarHBondContact O-N 2.92Å |
| 25 | F | 98.4 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 113.4 | 172.3 | -74.1 | -101.4 | 0 | 0 | 0 | 109.4 | L23 K33 I36 I37 I73 W74 L76 I101 V103 L225 | L23-F25 HydrophobicContact CB-CE2 4.15Å; L23-F25 HydrophobicContact CD2-CE2 4.33Å; F25-K33 HydrophobicContact CB-CD 4.4Å; F25-I36 HydrophobicContact CE1-CG2 3.9Å; F25-I37 HydrophobicContact CB-CD1 4.07Å; F25-I37 HydrophobicContact CD1-CD1 4.41Å; F25-I37 HydrophobicContact CD1-CG1 4.15Å; F25-I37 HydrophobicContact CD2-CD1 3.97Å; F25-I37 HydrophobicContact CD2-CG1 3.98Å; F25-I37 HydrophobicContact CE1-CG1 4.22Å; F25-I37 HydrophobicContact CE2-CG1 4.05Å; F25-I37 HydrophobicContact CG-CD1 3.9Å; F25-I37 HydrophobicContact CG-CG1 4.02Å; F25-I37 HydrophobicContact CZ-CG1 4.16Å; F25-I73 HydrophobicContact CD2-CG2 3.85Å; F25-I73 HydrophobicContact CE2-CG2 3.8Å; F25-W74 PolarHBondContact N-O 3.45Å; F25-L76 PolarHBondContact O-N 3.35Å; F25-I101 WeakPolarHBondContact CA-O 3.42Å; F25-I101 HydrophobicContact CD1-CB 4.11Å; F25-I101 HydrophobicContact CD1-CD1 4.46Å; F25-I101 HydrophobicContact CD1-CG2 3.86Å; F25-I101 HydrophobicContact CD2-CD1 4.34Å; F25-I101 HydrophobicContact CE1-CB 4.22Å; F25-I101 HydrophobicContact CE1-CD1 3.87Å; F25-I101 HydrophobicContact CE1-CG2 3.8Å; F25-I101 HydrophobicContact CE2-CD1 3.72Å; F25-I101 HydrophobicContact CG-CB 4.38Å; F25-I101 HydrophobicContact CZ-CD1 3.46Å; F25-I101 VanDerWaalsContact CZ-CD1 3.46Å; F25-I101 HydrophobicContact CZ-CG2 4.5Å; F25-V103 HydrophobicContact CD1-CG2 3.85Å; F25-L225 HydrophobicContact CE1-CD1 4.48Å; F25-L225 HydrophobicContact CE1-CD2 4.36Å; F25-L225 HydrophobicContact CZ-CD1 4.13Å; F25-L225 HydrophobicContact CZ-CD2 3.88Å |
| 26 | A | 97.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 143.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L76 I86 L100 I101 L102 V103 L119 | A26-L76 HydrophobicContact CB-CB 4.39Å; A26-L76 HydrophobicContact CB-CD2 4.18Å; A26-I86 HydrophobicContact CB-CD1 4.03Å; A26-L100 HydrophobicContact CB-CD1 4.14Å; A26-I101 PolarHBondContact N-O 2.94Å; A26-L102 CarbonylContact O-C 3.52Å; A26-L102 WeakPolarHBondContact O-CA 3.16Å; A26-V103 PolarHBondContact O-N 3.13Å; A26-L119 HydrophobicContact CB-CD1 4.01Å; A26-L119 HydrophobicContact CB-CD2 4.41Å |
| 27 | G | 96.2 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | trans | 158.8 | 170.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | K33 G79 V103 | G27-K33 PolarHBondContact O-NZ 3.18Å; G27-G79 WeakPolarHBondContact O-CA 3.46Å; G27-V103 WeakPolarHBondContact CA-O 3.37Å | ||
| 28 | N | 94.2 | Very high | 92.8 | Very high | 21 Ų | 21 | 26 Ų | 26 | 11% | 0.112 | 16% | 0.16 | C | C | . | . | trans | -64.1 | 163.2 | -175.7 | -80.6 | -12.3 | 0 | 0 | 0 | 114.7 | G30 S31 K33 E111 T115 | N28-G30 PolarHBondContact O-N 2.85Å; N28-S31 WeakPolarHBondContact O-CB 3.45Å; N28-S31 PolarHBondContact O-N 3.21Å; N28-S31 PolarHBondContact O-OG 2.92Å; N28-K33 PolarHBondContact O-NZ 3.35Å; N28-E111 PolarHBondContact ND2-OE2 2.72Å; N28-T115 PolarHBondContact ND2-OG1 3.44Å; N28-T115 PolarHBondContact OD1-OG1 2.85Å | ||
| 29 | K | 90.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 30.6 Ų | 30.6 | 57% | 0.57 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | 131.1 | 172.2 | -173.5 | 175.1 | -178.2 | 174.1 | 0 | 109.2 | S31 S49 | K29-S31 VanDerWaalsContact C-N 3.31Å; K29-S31 PolarHBondContact O-N 3.09Å; K29-S49 WeakPolarHBondContact CE-OG 3.47Å |
| 30 | G | 91.6 | Very high | 95 | Very high | 51 Ų | 51 | 27.8 Ų | 27.8 | 53% | 0.526 | 15% | 0.148 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 11.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | N28 G32 K177 | N28-G30 PolarHBondContact O-N 2.85Å; G30-G32 PolarHBondContact O-N 2.81Å; G30-K177 WeakPolarHBondContact O-CE 3.44Å; G30-K177 PolarHBondContact O-NZ 3.01Å |
| 31 | S | 94.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 24.9 Ų | 24.9 | 1% | 0.014 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -75.5 | -0.5 | 172.6 | 71.3 | 0 | 0 | 0 | 0 | 114.1 | N28 K29 V103 T176 | N28-S31 WeakPolarHBondContact O-CB 3.45Å; N28-S31 PolarHBondContact O-N 3.21Å; N28-S31 PolarHBondContact O-OG 2.92Å; K29-S31 VanDerWaalsContact C-N 3.31Å; K29-S31 PolarHBondContact O-N 3.09Å; S31-V103 WeakPolarHBondContact O-CG1 3.41Å; S31-V103 PolarHBondContact OG-O 2.86Å; S31-T176 WeakPolarHBondContact O-CB 3.43Å; S31-T176 VanDerWaalsContact O-CG2 3.29Å; S31-T176 WeakPolarHBondContact O-CG2 3.33Å; S31-T176 PolarHBondContact O-OG1 3.16Å |
| 32 | G | 94.6 | Very high | 95 | Very high | 20 Ų | 20 | 30.5 Ų | 30.5 | 21% | 0.206 | 16% | 0.162 | C | C | . | . | S | Bend | trans | 89.4 | 12.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 116 | G30 T35 I36 | G30-G32 PolarHBondContact O-N 2.81Å; G32-T35 WeakPolarHBondContact O-CB 3.41Å; G32-T35 PolarHBondContact O-N 3.44Å; G32-I36 WeakPolarHBondContact O-CG1 3.44Å; G32-I36 PolarHBondContact O-N 2.83Å |
| 33 | K | 96.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 33.3 Ų | 33.3 | 4% | 0.039 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -50.2 | -62.2 | 175.7 | -66.6 | -172.9 | -54.2 | -75 | 0 | 113.4 | F25 G27 N28 T35 I36 I37 E75 L76 V103 | F25-K33 HydrophobicContact CB-CD 4.4Å; G27-K33 PolarHBondContact O-NZ 3.18Å; N28-K33 PolarHBondContact O-NZ 3.35Å; K33-T35 PolarHBondContact O-N 3.45Å; K33-I36 PolarHBondContact O-N 3.06Å; K33-I37 WeakPolarHBondContact O-CG1 3.37Å; K33-I37 PolarHBondContact O-N 2.99Å; K33-E75 HydrophobicContact CB-CG 4.03Å; K33-E75 WeakPolarHBondContact CB-OE1 3.28Å; K33-E75 HydrophobicContact CD-CG 4.22Å; K33-E75 VanDerWaalsContact CE-OE1 3.28Å; K33-E75 WeakPolarHBondContact CE-OE1 3.45Å; K33-L76 WeakPolarHBondContact CE-O 3.48Å; K33-L76 PolarHBondContact NZ-O 2.88Å; K33-V103 HydrophobicContact CD-CB 4.44Å; K33-V103 HydrophobicContact CG-CB 3.65Å; K33-V103 HydrophobicContact CG-CG1 3.98Å; K33-V103 HydrophobicContact CG-CG2 3.76Å |
| 34 | S | 95.5 | Very high | 94 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 13% | 0.126 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.5 | -38.1 | 179.2 | -39.3 | 0 | 0 | 0 | 0 | 112.2 | I37 N38 T50 E75 | S34-I37 PolarHBondContact O-N 3Å; S34-N38 WeakPolarHBondContact O-CB 3.45Å; S34-N38 PolarHBondContact O-N 3.28Å; S34-N38 PolarHBondContact O-OD1 3.15Å; S34-T50 PolarHBondContact OG-OG1 3.22Å; S34-E75 PolarHBondContact N-OE1 2.95Å; S34-E75 PolarHBondContact OG-OE1 3.25Å; S34-E75 PolarHBondContact OG-OE2 2.94Å |
| 35 | T | 94.8 | Very high | 93.4 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 25% | 0.252 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.4 | -46.3 | 175.8 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | G32 K33 R39 T212 | G32-T35 WeakPolarHBondContact O-CB 3.41Å; G32-T35 PolarHBondContact O-N 3.44Å; K33-T35 PolarHBondContact O-N 3.45Å; T35-R39 WeakPolarHBondContact O-CB 3.32Å; T35-R39 WeakPolarHBondContact O-CG 3.37Å; T35-R39 PolarHBondContact O-N 3.4Å; T35-T212 HydrophobicContact CG2-CG2 3.82Å |
| 36 | I | 96.2 | Very high | 92.7 | Very high | 7 Ų | 7 | 52.8 Ų | 52.8 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 177 | -69 | -60.3 | 0 | 0 | 0 | 110.9 | F25 G32 K33 R39 F40 L174 T176 L218 I221 L225 | F25-I36 HydrophobicContact CE1-CG2 3.9Å; G32-I36 WeakPolarHBondContact O-CG1 3.44Å; G32-I36 PolarHBondContact O-N 2.83Å; K33-I36 PolarHBondContact O-N 3.06Å; I36-R39 PolarHBondContact O-N 2.99Å; I36-F40 VanDerWaalsContact O-CB 3.31Å; I36-F40 WeakPolarHBondContact O-CB 3.49Å; I36-F40 PolarHBondContact O-N 3.33Å; I36-L174 HydrophobicContact CB-CD2 4.28Å; I36-L174 HydrophobicContact CD1-CD2 4.31Å; I36-L174 HydrophobicContact CG1-CD2 3.84Å; I36-L174 HydrophobicContact CG2-CD2 3.72Å; I36-T176 HydrophobicContact CG1-CG2 4.47Å; I36-L218 HydrophobicContact CD1-CD2 4.12Å; I36-I221 HydrophobicContact CG2-CG2 4.37Å; I36-L225 HydrophobicContact CG2-CD1 3.72Å |
| 37 | I | 96.1 | Very high | 92 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 3% | 0.026 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 178.7 | -67 | 167.3 | 0 | 0 | 0 | 110.6 | F25 K33 S34 R39 F40 L41 T56 I73 E75 | F25-I37 HydrophobicContact CB-CD1 4.07Å; F25-I37 HydrophobicContact CD1-CD1 4.41Å; F25-I37 HydrophobicContact CD1-CG1 4.15Å; F25-I37 HydrophobicContact CD2-CD1 3.97Å; F25-I37 HydrophobicContact CD2-CG1 3.98Å; F25-I37 HydrophobicContact CE1-CG1 4.22Å; F25-I37 HydrophobicContact CE2-CG1 4.05Å; F25-I37 HydrophobicContact CG-CD1 3.9Å; F25-I37 HydrophobicContact CG-CG1 4.02Å; F25-I37 HydrophobicContact CZ-CG1 4.16Å; K33-I37 WeakPolarHBondContact O-CG1 3.37Å; K33-I37 PolarHBondContact O-N 2.99Å; S34-I37 PolarHBondContact O-N 3Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.45Å; I37-F40 WeakPolarHBondContact O-CB 3.34Å; I37-F40 PolarHBondContact O-N 2.92Å; I37-L41 HydrophobicContact CG2-CD1 3.9Å; I37-L41 WeakPolarHBondContact O-CB 3.48Å; I37-L41 WeakPolarHBondContact O-CG 3.22Å; I37-L41 PolarHBondContact O-N 2.95Å; I37-T56 HydrophobicContact CG2-CG2 3.95Å; I37-I73 HydrophobicContact CD1-CG2 4.2Å; I37-I73 HydrophobicContact CG1-CG2 4.24Å; I37-I73 HydrophobicContact CG2-CG2 4.21Å; I37-E75 HydrophobicContact CD1-CB 3.74Å; I37-E75 HydrophobicContact CD1-CG 3.89Å |
| 38 | N | 94.3 | Very high | 91.5 | Very high | 20 Ų | 20 | 62.2 Ų | 62.2 | 11% | 0.107 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 178.2 | -73.8 | 3.1 | 0 | 0 | 0 | 111.3 | S34 L41 E42 K43 E45 | S34-N38 WeakPolarHBondContact O-CB 3.45Å; S34-N38 PolarHBondContact O-N 3.28Å; S34-N38 PolarHBondContact O-OD1 3.15Å; N38-L41 CarbonylContact O-C 3.5Å; N38-L41 PolarHBondContact O-N 3.21Å; N38-E42 WeakPolarHBondContact O-CA 3.49Å; N38-E42 PolarHBondContact O-N 2.89Å; N38-K43 HydrophobicContact CB-CB 4.23Å; N38-K43 PolarHBondContact O-N 3.03Å; N38-E45 PolarHBondContact ND2-O 3.11Å |
| 39 | R | 92.6 | Very high | 91 | Very high | 133 Ų | 133 | 63.7 Ų | 63.7 | 50% | 0.502 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 175.7 | -69.4 | -65 | -170.2 | 161.7 | 7.2 | 112.9 | T35 I36 I37 | T35-R39 WeakPolarHBondContact O-CB 3.32Å; T35-R39 WeakPolarHBondContact O-CG 3.37Å; T35-R39 PolarHBondContact O-N 3.4Å; I36-R39 PolarHBondContact O-N 2.99Å; I37-R39 VanDerWaalsContact C-N 3.33Å; I37-R39 PolarHBondContact O-N 3.45Å |
| 40 | F | 94.4 | Very high | 90.7 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 3% | 0.031 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.2 | -44.3 | 175.9 | 169.1 | -133.2 | 0 | 0 | 0 | 111.5 | I36 I37 I73 R222 L225 N226 A229 F230 | I36-F40 VanDerWaalsContact O-CB 3.31Å; I36-F40 WeakPolarHBondContact O-CB 3.49Å; I36-F40 PolarHBondContact O-N 3.33Å; I37-F40 WeakPolarHBondContact O-CB 3.34Å; I37-F40 PolarHBondContact O-N 2.92Å; F40-I73 HydrophobicContact CD1-CD1 4Å; F40-I73 HydrophobicContact CE1-CD1 3.63Å; F40-I73 HydrophobicContact CE1-CG1 4.47Å; F40-R222 HydrophobicContact CD2-CG 4.3Å; F40-R222 PolarHBondContact O-NE 3.45Å; F40-L225 HydrophobicContact CB-CD1 3.79Å; F40-L225 HydrophobicContact CD1-CB 4.43Å; F40-L225 HydrophobicContact CD1-CD1 4.39Å; F40-L225 HydrophobicContact CD2-CB 3.59Å; F40-L225 HydrophobicContact CD2-CD1 4.24Å; F40-L225 HydrophobicContact CE2-CB 3.73Å; F40-L225 HydrophobicContact CG-CB 3.99Å; F40-L225 HydrophobicContact CG-CD1 3.89Å; F40-L225 HydrophobicContact CZ-CB 4.19Å; F40-N226 HydrophobicContact CE2-CB 4.47Å; F40-A229 HydrophobicContact CE1-CB 4.28Å; F40-A229 HydrophobicContact CZ-CB 3.63Å; F40-F230 HydrophobicContact CE2-CE2 4.27Å; F40-F230 AromaticContact CZ-CE2 3.8Å; F40-F230 HydrophobicContact CZ-CE2 3.8Å; F40-F230 HydrophobicContact CZ-CZ 4.5Å |
| 41 | L | 93.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 57.8 Ų | 57.8 | 19% | 0.188 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -88.1 | 0.9 | -177.3 | -64 | 179 | 0 | 0 | 0 | 114.7 | I37 N38 K43 T56 I73 | I37-L41 HydrophobicContact CG2-CD1 3.9Å; I37-L41 WeakPolarHBondContact O-CB 3.48Å; I37-L41 WeakPolarHBondContact O-CG 3.22Å; I37-L41 PolarHBondContact O-N 2.95Å; N38-L41 CarbonylContact O-C 3.5Å; N38-L41 PolarHBondContact O-N 3.21Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 HydrophobicContact CB-CD 4.4Å; L41-K43 HydrophobicContact CB-CG 4Å; L41-K43 PolarHBondContact O-N 2.91Å; L41-T56 HydrophobicContact CD1-CG2 3.53Å; L41-I73 HydrophobicContact CD1-CD1 3.94Å; L41-I73 HydrophobicContact CD2-CD1 3.72Å; L41-I73 HydrophobicContact CG-CD1 4.13Å |
| 42 | E | 90.7 | Very high | 89.9 | Confident | 131 Ų | 131 | 59.6 Ų | 59.6 | 61% | 0.612 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 41.5 | -174.2 | -65.2 | 174.2 | 145.7 | 0 | 0 | 113.3 | N38 R222 | N38-E42 WeakPolarHBondContact O-CA 3.49Å; N38-E42 PolarHBondContact O-N 2.89Å; E42-R222 VanDerWaalsContact CG-NH1 3.31Å; E42-R222 VanDerWaalsContact CG-NH2 3.29Å; E42-R222 IonicContact OE1-CZ 3.74Å; E42-R222 IonicContact OE1-NH1 3.76Å; E42-R222 PolarHBondContact OE1-NH1 3Å; E42-R222 IonicContact OE1-NH2 2.85Å; E42-R222 PolarHBondContact OE1-NH2 3.37Å; E42-R222 IonicContact OE2-CZ 3.97Å; E42-R222 IonicContact OE2-NH1 2.61Å; E42-R222 IonicContact OE2-NH2 3.11Å; E42-R222 PolarHBondContact OE2-NH2 2.92Å |
| 43 | K | 88.5 | Confident | 89.7 | Confident | 66 Ų | 66 | 60.6 Ų | 60.6 | 29% | 0.287 | 32% | 0.316 | S | S | . | . | trans | -89.4 | 120.4 | 172.5 | -64.1 | -174.6 | -176.7 | -179.4 | 0 | 110 | N38 L41 E45 T56 | N38-K43 HydrophobicContact CB-CB 4.23Å; N38-K43 PolarHBondContact O-N 3.03Å; L41-K43 VanDerWaalsContact C-N 3.25Å; L41-K43 HydrophobicContact CB-CD 4.4Å; L41-K43 HydrophobicContact CB-CG 4Å; L41-K43 PolarHBondContact O-N 2.91Å; K43-E45 HydrophobicContact CB-CB 4.46Å; K43-E45 HydrophobicContact CB-CG 4.37Å; K43-E45 PolarHBondContact O-N 2.81Å; K43-T56 PolarHBondContact NZ-OG1 2.9Å | ||
| 44 | D | 83.9 | Confident | 89.6 | Confident | 175 Ų | 175 | 63.8 Ų | 63.8 | 94% | 0.936 | 33% | 0.334 | S | S | * | . | trans | -81.6 | 53.1 | 171 | -68.3 | -32 | 0 | 0 | 0 | 111 | ||||
| 45 | E | 85.3 | Confident | 89.6 | Confident | 121 Ų | 121 | 67.5 Ų | 67.5 | 57% | 0.565 | 35% | 0.345 | S | S | * | . | trans | -114.2 | 138.2 | -179.8 | -69.9 | 176 | -171.1 | 0 | 0 | 110.4 | N38 K43 P47 | N38-E45 PolarHBondContact ND2-O 3.11Å; K43-E45 HydrophobicContact CB-CB 4.46Å; K43-E45 HydrophobicContact CB-CG 4.37Å; K43-E45 PolarHBondContact O-N 2.81Å; E45-P47 WeakPolarHBondContact O-CD 3.45Å | ||
| 46 | T | 84.3 | Confident | 89.6 | Confident | 114 Ų | 114 | 66.3 Ų | 66.3 | 70% | 0.699 | 34% | 0.338 | S | S | * | . | trans | -65.8 | 123.6 | 171.9 | 47.3 | 0 | 0 | 0 | 0 | 109.2 | K48 | T46-K48 PolarHBondContact O-N 2.61Å; T46-K48 VanDerWaalsContact O-N 3.08Å | ||
| 47 | P | 84.2 | Confident | 89.5 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | trans | -62.6 | 115.7 | -178.9 | -19.2 | 30.1 | 0 | 0 | 0 | 110.4 | E45 | E45-P47 WeakPolarHBondContact O-CD 3.45Š| ||
| 48 | K | 84.6 | Confident | 89.3 | Confident | 132 Ų | 132 | 70.3 Ų | 70.3 | 57% | 0.574 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -90.8 | 162.4 | 176.7 | -62.2 | -177.5 | -175.9 | 175.7 | 0 | 110.6 | T46 T50 Q313 | T46-K48 PolarHBondContact O-N 2.61Å; T46-K48 VanDerWaalsContact O-N 3.08Å; K48-T50 PolarHBondContact O-N 2.85Å; K48-Q313 HydrophobicContact CD-CG 4.2Å |
| 49 | S | 84.1 | Confident | 89 | Confident | 52 Ų | 52 | 76.4 Ų | 76.4 | 36% | 0.364 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 119.1 | 176.3 | -177.9 | 0 | 0 | 0 | 0 | 109.6 | K29 L51 | K29-S49 WeakPolarHBondContact CE-OG 3.47Å; S49-L51 PolarHBondContact O-N 2.87Å |
| 50 | T | 84.2 | Confident | 88.5 | Confident | 17 Ų | 17 | 74.9 Ų | 74.9 | 10% | 0.104 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 126.6 | 178 | -55 | 0 | 0 | 0 | 0 | 111.5 | S34 K48 D54 E75 G77 | S34-T50 PolarHBondContact OG-OG1 3.22Å; K48-T50 PolarHBondContact O-N 2.85Å; T50-D54 HydrophobicContact CG2-CB 3.56Å; T50-E75 HydrophobicContact CG2-CB 4.31Å; T50-E75 HydrophobicContact CG2-CG 4.27Å; T50-E75 PolarHBondContact OG1-OE1 3.32Å; T50-E75 PolarHBondContact OG1-OE2 3.16Å; T50-G77 WeakPolarHBondContact O-CA 3.41Å |
| 51 | L | 82.3 | Confident | 87.5 | Confident | 41 Ų | 41 | 77.4 Ų | 77.4 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -91.8 | 125.5 | 171.2 | -65.6 | -172.2 | 0 | 0 | 0 | 110.1 | S49 L53 P308 D311 Y314 | S49-L51 PolarHBondContact O-N 2.87Å; L51-L53 PolarHBondContact O-N 3.18Å; L51-P308 HydrophobicContact CD1-CB 3.86Å; L51-D311 HydrophobicContact CD1-CB 4.11Å; L51-Y314 HydrophobicContact CB-CE2 4.4Å; L51-Y314 HydrophobicContact CD1-CD2 3.49Å; L51-Y314 VanDerWaalsContact CD1-CD2 3.49Å; L51-Y314 HydrophobicContact CD1-CE2 3.13Å; L51-Y314 HydrophobicContact CG-CD2 4.39Å; L51-Y314 HydrophobicContact CG-CE2 3.56Å |
| 52 | A | 87.7 | Confident | 86 | Confident | 40 Ų | 40 | 77.8 Ų | 77.8 | 33% | 0.331 | 41% | 0.412 | S | S | . | . | S | Bend | trans | 55.1 | -87.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | G77 L82 L85 | A52-G77 WeakPolarHBondContact O-CA 3.37Å; A52-G77 PolarHBondContact O-N 2.98Å; A52-L82 HydrophobicContact CB-CD1 4.27Å; A52-L85 HydrophobicContact CB-CD1 3.56Å |
| 53 | L | 91.4 | Very high | 84.5 | Confident | 41 Ų | 41 | 74.9 Ų | 74.9 | 22% | 0.215 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 126.5 | 175.5 | -74.4 | 170.6 | 0 | 0 | 0 | 109.4 | L51 W74 E75 L76 L85 V88 V89 | L51-L53 PolarHBondContact O-N 3.18Å; L53-W74 HydrophobicContact CB-CE3 4.32Å; L53-W74 HydrophobicContact CB-CZ3 4.42Å; L53-E75 WeakPolarHBondContact CA-O 3.28Å; L53-L76 HydrophobicContact CD2-CD1 4.08Å; L53-L85 HydrophobicContact CD1-CB 3.89Å; L53-L85 HydrophobicContact CD2-CB 4.16Å; L53-L85 HydrophobicContact CG-CB 3.85Å; L53-L85 HydrophobicContact CG-CD1 4.16Å; L53-V88 HydrophobicContact CD1-CB 4.13Å; L53-V88 HydrophobicContact CD1-CG1 4.37Å; L53-V89 HydrophobicContact CD1-CG2 4.07Å; L53-V89 HydrophobicContact CD2-CG2 4.1Å |
| 54 | D | 93.1 | Very high | 82.9 | Confident | 77 Ų | 77 | 79.5 Ų | 79.5 | 41% | 0.412 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 143.7 | 167.8 | -176.9 | 46.7 | 0 | 0 | 0 | 110.7 | T50 W74 E75 | T50-D54 HydrophobicContact CG2-CB 3.56Å; D54-W74 CarbonylContact O-C 3.59Å; D54-W74 WeakPolarHBondContact O-CA 3.4Å; D54-E75 HydrophobicContact CB-CB 4.37Å; D54-E75 PolarHBondContact N-O 2.92Å; D54-E75 PolarHBondContact O-N 3.32Å |
| 55 | Y | 95.2 | Very high | 81.4 | Confident | 95 Ų | 95 | 80.3 Ų | 80.3 | 37% | 0.373 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.8 | 179 | 169.3 | -102.9 | 0 | 0 | 0 | 110.3 | F57 H72 W74 | Y55-F57 HydrophobicContact CE1-CD1 4.1Å; Y55-H72 HydrophobicContact CE2-CB 3.94Å; Y55-H72 AromaticContact CE2-ND1 3.58Å; Y55-H72 AromaticContact CZ-ND1 3.68Å; Y55-H72 PolarHBondContact OH-ND1 2.95Å; Y55-W74 HydrophobicContact CD2-CD2 4.04Å; Y55-W74 AromaticContact CD2-CE2 3.55Å; Y55-W74 HydrophobicContact CD2-CH2 4.17Å; Y55-W74 AromaticContact CD2-CZ2 3.63Å; Y55-W74 HydrophobicContact CD2-CZ2 3.63Å; Y55-W74 AromaticContact CD2-NE1 3.79Å; Y55-W74 HydrophobicContact CE2-CZ2 4.33Å; Y55-W74 HydrophobicContact CG-CH2 4.24Å; Y55-W74 HydrophobicContact CG-CZ2 4.16Å |
| 56 | T | 95.1 | Very high | 80 | Confident | 17 Ų | 17 | 83.4 Ų | 83.4 | 10% | 0.104 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 172 | 166.2 | -160.6 | 0 | 0 | 0 | 0 | 110.2 | I37 L41 K43 I73 | I37-T56 HydrophobicContact CG2-CG2 3.95Å; L41-T56 HydrophobicContact CD1-CG2 3.53Å; K43-T56 PolarHBondContact NZ-OG1 2.9Å; T56-I73 HydrophobicContact CG2-CB 3.76Å; T56-I73 HydrophobicContact CG2-CD1 4.24Å; T56-I73 HydrophobicContact CG2-CG2 3.96Å; T56-I73 PolarHBondContact N-O 3.4Å; T56-I73 PolarHBondContact O-N 2.8Å; T56-I73 VanDerWaalsContact O-O 3.07Å |
| 57 | F | 94.3 | Very high | 78.8 | Confident | 88 Ų | 88 | 80.3 Ų | 80.3 | 39% | 0.386 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 148.7 | 178.9 | 69.1 | -86.7 | 0 | 0 | 0 | 111.5 | Y55 R59 S71 | Y55-F57 HydrophobicContact CE1-CD1 4.1Å; F57-R59 HydrophobicContact CD2-CG 3.84Å; F57-R59 HydrophobicContact CE2-CG 3.98Å; F57-R59 VanDerWaalsContact CE2-CZ 3.49Å; F57-R59 VanDerWaalsContact CE2-NE 3.28Å; F57-S71 CarbonylContact C-O 3.46Å; F57-S71 WeakPolarHBondContact CA-O 3.36Å; F57-S71 WeakPolarHBondContact CB-O 3.4Å |
| 58 | G | 91.6 | Very high | 78.2 | Confident | 7 Ų | 7 | 84.6 Ų | 84.6 | 7% | 0.072 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 151.6 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S71 | G58-S71 PolarHBondContact N-O 3.35Å; G58-S71 PolarHBondContact O-N 3.35Å |
| 59 | R | 87.7 | Confident | 78.2 | Confident | 149 Ų | 149 | 79 Ų | 79 | 56% | 0.562 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 139.2 | 174 | -58.7 | -172.9 | 177.2 | 159.9 | -0 | 109.8 | F57 V69 V70 | F57-R59 HydrophobicContact CD2-CG 3.84Å; F57-R59 HydrophobicContact CE2-CG 3.98Å; F57-R59 VanDerWaalsContact CE2-CZ 3.49Å; F57-R59 VanDerWaalsContact CE2-NE 3.28Å; R59-V69 WeakPolarHBondContact CA-O 3.49Å; R59-V70 HydrophobicContact CG-CG1 4.4Å; R59-V70 HydrophobicContact CG-CG2 4.15Å |
| 60 | K | 83.3 | Confident | 78.5 | Confident | 101 Ų | 101 | 77.4 Ų | 77.4 | 44% | 0.439 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.3 | 173.3 | -162.8 | 171.6 | -176.8 | 173 | 0 | 109.6 | V69 F230 | K60-V69 PolarHBondContact N-O 2.94Å; K60-V69 VanDerWaalsContact N-O 3.09Å; K60-V69 PolarHBondContact O-N 3.38Å; K60-F230 HydrophobicContact CB-CB 4.35Å; K60-F230 HydrophobicContact CB-CD1 3.7Å; K60-F230 HydrophobicContact CB-CD2 4.22Å; K60-F230 HydrophobicContact CB-CE1 3.99Å; K60-F230 HydrophobicContact CB-CE2 4.47Å; K60-F230 HydrophobicContact CB-CG 3.83Å; K60-F230 HydrophobicContact CB-CZ 4.36Å; K60-F230 HydrophobicContact CD-CB 4.13Å; K60-F230 HydrophobicContact CD-CD2 4.11Å; K60-F230 HydrophobicContact CD-CG 4.11Å |
| 61 | G | 72.3 | Confident | 79 | Confident | 59 Ų | 59 | 76.6 Ų | 76.6 | 61% | 0.608 | 40% | 0.399 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 133 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 62 | A | 61.8 | Low | 79.7 | Confident | 44 Ų | 44 | 76.4 Ų | 76.4 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | trans | -98.8 | 92.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | T67 V69 | A62-T67 WeakPolarHBondContact CB-O 3.49Å; A62-T67 PolarHBondContact N-O 2.99Å; A62-V69 HydrophobicContact CB-CG2 4.11Å | ||
| 63 | G | 58.9 | Low | 80.2 | Confident | 70 Ų | 70 | 74.5 Ų | 74.5 | 72% | 0.722 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -151 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y65 | G63-Y65 VanDerWaalsContact C-N 3.3Å; G63-Y65 PolarHBondContact O-N 2.96Å |
| 64 | N | 56.4 | Low | 80.5 | Confident | 163 Ų | 163 | 75.8 Ų | 75.8 | 87% | 0.872 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -12.2 | -173 | -68.6 | -3.1 | 0 | 0 | 0 | 114.2 | ||
| 65 | Y | 51.2 | Low | 80.7 | Confident | 193 Ų | 193 | 72.6 Ų | 72.6 | 76% | 0.757 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -97.6 | 145.2 | -177.4 | -66.7 | -81.7 | 0 | 0 | 0 | 109.8 | G63 T67 | G63-Y65 VanDerWaalsContact C-N 3.3Å; G63-Y65 PolarHBondContact O-N 2.96Å; Y65-T67 PolarHBondContact O-N 2.89Å; Y65-T67 PolarHBondContact O-OG1 3.47Å |
| 66 | H | 56.7 | Low | 80.7 | Confident | 185 Ų | 185 | 68 Ų | 68 | 86% | 0.856 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -62.4 | 12.3 | 179.1 | -62.7 | -71.1 | 0 | 0 | 0 | 114.6 | R68 | H66-R68 PolarHBondContact O-N 3.3Š|
| 67 | T | 58.6 | Low | 80.5 | Confident | 49 Ų | 49 | 67.3 Ų | 67.3 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | trans | -68.4 | 110.1 | 172.1 | 43.1 | 0 | 0 | 0 | 0 | 109.2 | S17 A62 Y65 | S17-T67 VanDerWaalsContact OG-CG2 3.29Å; S17-T67 WeakPolarHBondContact OG-CG2 3.42Å; A62-T67 WeakPolarHBondContact CB-O 3.49Å; A62-T67 PolarHBondContact N-O 2.99Å; Y65-T67 PolarHBondContact O-N 2.89Å; Y65-T67 PolarHBondContact O-OG1 3.47Å | ||
| 68 | R | 72.8 | Confident | 79.9 | Confident | 156 Ų | 156 | 64.9 Ų | 64.9 | 59% | 0.589 | 34% | 0.344 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 127.7 | 176.4 | -65.9 | 179.1 | -178.9 | 178.6 | -1.7 | 108.4 | H66 | H66-R68 PolarHBondContact O-N 3.3Å |
| 69 | V | 84.3 | Confident | 79.7 | Confident | 14 Ų | 14 | 64.6 Ų | 64.6 | 9% | 0.085 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 128.4 | 166.8 | -175.5 | 0 | 0 | 0 | 0 | 107.1 | T19 R59 K60 A62 F230 | T19-V69 WeakPolarHBondContact O-CG1 3.37Å; T19-V69 WeakPolarHBondContact OG1-CG1 3.47Å; T19-V69 WeakPolarHBondContact OG1-CG2 3.41Å; R59-V69 WeakPolarHBondContact CA-O 3.49Å; K60-V69 PolarHBondContact N-O 2.94Å; K60-V69 VanDerWaalsContact N-O 3.09Å; K60-V69 PolarHBondContact O-N 3.38Å; A62-V69 HydrophobicContact CB-CG2 4.11Å; V69-F230 HydrophobicContact CB-CD1 4.05Å; V69-F230 HydrophobicContact CG1-CB 4.45Å; V69-F230 HydrophobicContact CG1-CD1 3.84Å |
| 70 | V | 90.7 | Very high | 79.8 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 12% | 0.121 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 131.4 | 177.9 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | T19 E20 N21 R59 | T19-V70 PolarHBondContact O-N 3.03Å; E20-V70 WeakPolarHBondContact CA-O 3.42Å; E20-V70 HydrophobicContact CG-CB 4.44Å; N21-V70 PolarHBondContact N-O 3.35Å; R59-V70 HydrophobicContact CG-CG1 4.4Å; R59-V70 HydrophobicContact CG-CG2 4.15Å |
| 71 | S | 94.8 | Very high | 79.9 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.5 | 172.3 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | N21 F57 G58 A229 | N21-S71 CarbonylContact O-C 3.54Å; N21-S71 WeakPolarHBondContact O-CA 3.38Å; F57-S71 CarbonylContact C-O 3.46Å; F57-S71 WeakPolarHBondContact CA-O 3.36Å; F57-S71 WeakPolarHBondContact CB-O 3.4Å; G58-S71 PolarHBondContact N-O 3.35Å; G58-S71 PolarHBondContact O-N 3.35Å; S71-A229 WeakPolarHBondContact OG-CB 3.47Å |
| 72 | H | 96.6 | Very high | 80.7 | Confident | 36 Ų | 36 | 59 Ų | 59 | 17% | 0.167 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 128.2 | 170.5 | -60 | -73.7 | 0 | 0 | 0 | 108.7 | E20 N21 T22 L23 Y55 | E20-H72 IonicContact OE2-NE2 3.41Å; N21-H72 PolarHBondContact O-N 3.04Å; T22-H72 CarbonylContact C-O 3.59Å; T22-H72 WeakPolarHBondContact CA-O 3.47Å; T22-H72 HydrophobicContact CG2-CB 4.22Å; L23-H72 PolarHBondContact N-O 3.23Å; Y55-H72 HydrophobicContact CE2-CB 3.94Å; Y55-H72 AromaticContact CE2-ND1 3.58Å; Y55-H72 AromaticContact CZ-ND1 3.68Å; Y55-H72 PolarHBondContact OH-ND1 2.95Å |
| 73 | I | 97.7 | Very high | 82.1 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 117.8 | -175.1 | -59.7 | 159.8 | 0 | 0 | 0 | 107.2 | L23 F25 I37 F40 L41 T56 | L23-I73 WeakPolarHBondContact O-CA 3.35Å; F25-I73 HydrophobicContact CD2-CG2 3.85Å; F25-I73 HydrophobicContact CE2-CG2 3.8Å; I37-I73 HydrophobicContact CD1-CG2 4.2Å; I37-I73 HydrophobicContact CG1-CG2 4.24Å; I37-I73 HydrophobicContact CG2-CG2 4.21Å; F40-I73 HydrophobicContact CD1-CD1 4Å; F40-I73 HydrophobicContact CE1-CD1 3.63Å; F40-I73 HydrophobicContact CE1-CG1 4.47Å; L41-I73 HydrophobicContact CD1-CD1 3.94Å; L41-I73 HydrophobicContact CD2-CD1 3.72Å; L41-I73 HydrophobicContact CG-CD1 4.13Å; T56-I73 HydrophobicContact CG2-CB 3.76Å; T56-I73 HydrophobicContact CG2-CD1 4.24Å; T56-I73 HydrophobicContact CG2-CG2 3.96Å; T56-I73 PolarHBondContact N-O 3.4Å; T56-I73 PolarHBondContact O-N 2.8Å; T56-I73 VanDerWaalsContact O-O 3.07Å |
| 74 | W | 97.8 | Very high | 83.6 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 26% | 0.258 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 130.4 | 178.6 | -68.3 | 87 | 0 | 0 | 0 | 109.6 | L23 I24 F25 L53 D54 Y55 V89 | L23-W74 PolarHBondContact O-N 2.92Å; I24-W74 CarbonylContact C-O 3.54Å; I24-W74 WeakPolarHBondContact CA-O 3.18Å; I24-W74 HydrophobicContact CG1-CB 4.46Å; F25-W74 PolarHBondContact N-O 3.45Å; L53-W74 HydrophobicContact CB-CE3 4.32Å; L53-W74 HydrophobicContact CB-CZ3 4.42Å; D54-W74 CarbonylContact O-C 3.59Å; D54-W74 WeakPolarHBondContact O-CA 3.4Å; Y55-W74 HydrophobicContact CD2-CD2 4.04Å; Y55-W74 AromaticContact CD2-CE2 3.55Å; Y55-W74 HydrophobicContact CD2-CH2 4.17Å; Y55-W74 AromaticContact CD2-CZ2 3.63Å; Y55-W74 HydrophobicContact CD2-CZ2 3.63Å; Y55-W74 AromaticContact CD2-NE1 3.79Å; Y55-W74 HydrophobicContact CE2-CZ2 4.33Å; Y55-W74 HydrophobicContact CG-CH2 4.24Å; Y55-W74 HydrophobicContact CG-CZ2 4.16Å; W74-V89 HydrophobicContact CB-CG1 4.11Å; W74-V89 HydrophobicContact CB-CG2 4.04Å; W74-V89 HydrophobicContact CD2-CB 4.42Å; W74-V89 HydrophobicContact CD2-CG1 3.9Å; W74-V89 HydrophobicContact CD2-CG2 3.63Å; W74-V89 HydrophobicContact CE3-CG2 3.77Å; W74-V89 HydrophobicContact CG-CB 4.31Å; W74-V89 HydrophobicContact CG-CG1 3.51Å; W74-V89 HydrophobicContact CG-CG2 3.77Å; W74-V89 HydrophobicContact CZ3-CG2 4.44Å |
| 75 | E | 97 | Very high | 85.2 | Confident | 9 Ų | 9 | 54.8 Ų | 54.8 | 4% | 0.042 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.8 | 173.4 | -169.5 | -170.7 | 172.4 | 0 | 0 | 110.6 | K33 S34 I37 T50 L53 D54 G77 | K33-E75 HydrophobicContact CB-CG 4.03Å; K33-E75 WeakPolarHBondContact CB-OE1 3.28Å; K33-E75 HydrophobicContact CD-CG 4.22Å; K33-E75 VanDerWaalsContact CE-OE1 3.28Å; K33-E75 WeakPolarHBondContact CE-OE1 3.45Å; S34-E75 PolarHBondContact N-OE1 2.95Å; S34-E75 PolarHBondContact OG-OE1 3.25Å; S34-E75 PolarHBondContact OG-OE2 2.94Å; I37-E75 HydrophobicContact CD1-CB 3.74Å; I37-E75 HydrophobicContact CD1-CG 3.89Å; T50-E75 HydrophobicContact CG2-CB 4.31Å; T50-E75 HydrophobicContact CG2-CG 4.27Å; T50-E75 PolarHBondContact OG1-OE1 3.32Å; T50-E75 PolarHBondContact OG1-OE2 3.16Å; L53-E75 WeakPolarHBondContact CA-O 3.28Å; D54-E75 HydrophobicContact CB-CB 4.37Å; D54-E75 PolarHBondContact N-O 2.92Å; D54-E75 PolarHBondContact O-N 3.32Å; E75-G77 PolarHBondContact O-N 3.42Å |
| 76 | L | 95.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 110.3 | 172.3 | -178.5 | 69.5 | 0 | 0 | 0 | 111.8 | F25 A26 K33 L53 L82 L85 I86 L119 | F25-L76 PolarHBondContact O-N 3.35Å; A26-L76 HydrophobicContact CB-CB 4.39Å; A26-L76 HydrophobicContact CB-CD2 4.18Å; K33-L76 WeakPolarHBondContact CE-O 3.48Å; K33-L76 PolarHBondContact NZ-O 2.88Å; L53-L76 HydrophobicContact CD2-CD1 4.08Å; L76-L82 HydrophobicContact CD1-CB 4.35Å; L76-L82 WeakPolarHBondContact CD1-O 3.26Å; L76-L85 HydrophobicContact CD1-CB 3.85Å; L76-I86 HydrophobicContact CD1-CG1 4.46Å; L76-I86 HydrophobicContact CD2-CD1 4.03Å; L76-I86 HydrophobicContact CD2-CG1 3.92Å; L76-L119 HydrophobicContact CD2-CD2 3.71Å |
| 77 | G | 90 | Very high | 88.9 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | trans | -73.7 | 163.4 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T50 A52 E75 G79 | T50-G77 WeakPolarHBondContact O-CA 3.41Å; A52-G77 WeakPolarHBondContact O-CA 3.37Å; A52-G77 PolarHBondContact O-N 2.98Å; E75-G77 PolarHBondContact O-N 3.42Å; G77-G79 PolarHBondContact O-N 2.93Å | ||
| 78 | G | 82.9 | Confident | 90.5 | Very high | 37 Ų | 37 | 39.6 Ų | 39.6 | 38% | 0.381 | 21% | 0.205 | S | C | . | . | S | Bend | trans | 71.5 | -11.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||
| 79 | G | 86.9 | Confident | 91.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | 74.8 | -148.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | G27 G77 K81 L82 | G27-G79 WeakPolarHBondContact O-CA 3.46Å; G77-G79 PolarHBondContact O-N 2.93Å; G79-K81 PolarHBondContact O-N 3.29Å; G79-K81 VanDerWaalsContact O-N 3.07Å; G79-L82 PolarHBondContact O-N 2.82Å; G79-L82 VanDerWaalsContact O-N 3.13Å |
| 80 | V | 89.7 | Confident | 92 | Very high | 29 Ų | 29 | 31.8 Ų | 31.8 | 18% | 0.176 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -55 | -28.2 | -177.1 | -67.8 | 0 | 0 | 0 | 0 | 114.5 | L82 S83 T115 T118 L119 | V80-L82 PolarHBondContact O-N 2.96Å; V80-S83 VanDerWaalsContact O-CB 3.26Å; V80-S83 WeakPolarHBondContact O-CB 3.15Å; V80-S83 PolarHBondContact O-N 2.96Å; V80-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 PolarHBondContact O-OG 3.43Å; V80-T115 HydrophobicContact CG1-CG2 4.42Å; V80-T118 HydrophobicContact CB-CG2 3.98Å; V80-T118 HydrophobicContact CG1-CG2 4.22Å; V80-L119 HydrophobicContact CG1-CG 4.35Å |
| 81 | K | 86.6 | Confident | 92 | Very high | 120 Ų | 120 | 33 Ų | 33 | 52% | 0.522 | 18% | 0.182 | S | C | . | . | G | 310 helix | trans | -63.4 | -26.9 | -179.5 | -64 | -171.2 | 179.4 | -168.5 | 0 | 113.6 | G79 T295 | G79-K81 PolarHBondContact O-N 3.29Å; G79-K81 VanDerWaalsContact O-N 3.07Å; K81-T295 PolarHBondContact NZ-O 2.91Å |
| 82 | L | 88.3 | Confident | 91.7 | Very high | 44 Ų | 44 | 35.5 Ų | 35.5 | 23% | 0.23 | 20% | 0.199 | C | C | . | . | G | 310 helix | trans | -112.6 | 21 | 179.7 | -61.1 | -178.2 | 0 | 0 | 0 | 111.6 | A52 L76 G79 V80 D84 L85 L305 | A52-L82 HydrophobicContact CB-CD1 4.27Å; L76-L82 HydrophobicContact CD1-CB 4.35Å; L76-L82 WeakPolarHBondContact CD1-O 3.26Å; G79-L82 PolarHBondContact O-N 2.82Å; G79-L82 VanDerWaalsContact O-N 3.13Å; V80-L82 PolarHBondContact O-N 2.96Å; L82-D84 PolarHBondContact O-N 3.04Å; L82-D84 VanDerWaalsContact O-N 3.09Å; L82-L85 HydrophobicContact CB-CD1 3.84Å; L82-L85 HydrophobicContact CB-CG 4.19Å; L82-L85 HydrophobicContact CD1-CD1 4.11Å; L82-L85 HydrophobicContact CG-CD1 4.39Å; L82-L85 VanDerWaalsContact O-CB 3.25Å; L82-L85 WeakPolarHBondContact O-CB 3.36Å; L82-L85 WeakPolarHBondContact O-CG 3.46Å; L82-L85 PolarHBondContact O-N 3.36Å; L82-L305 HydrophobicContact CD2-CD2 4.28Å |
| 83 | S | 91 | Very high | 91.3 | Very high | 13 Ų | 13 | 41.2 Ų | 41.2 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -52.2 | -34.3 | -176.9 | 52.1 | 0 | 0 | 0 | 0 | 113.5 | V80 L85 I86 S122 | V80-S83 VanDerWaalsContact O-CB 3.26Å; V80-S83 WeakPolarHBondContact O-CB 3.15Å; V80-S83 PolarHBondContact O-N 2.96Å; V80-S83 VanDerWaalsContact O-N 3.16Å; V80-S83 PolarHBondContact O-OG 3.43Å; S83-L85 PolarHBondContact O-N 3.44Å; S83-L85 VanDerWaalsContact O-N 3.11Å; S83-I86 VanDerWaalsContact O-CB 3.23Å; S83-I86 WeakPolarHBondContact O-CB 3.42Å; S83-I86 VanDerWaalsContact O-CG1 3.25Å; S83-I86 WeakPolarHBondContact O-CG1 3.47Å; S83-I86 PolarHBondContact O-N 2.99Å; S83-S122 VanDerWaalsContact C-OG 3.29Å; S83-S122 PolarHBondContact O-OG 2.99Å; S83-S122 VanDerWaalsContact O-OG 3.06Å |
| 84 | D | 89.8 | Confident | 91.1 | Very high | 129 Ų | 129 | 42.6 Ų | 42.6 | 69% | 0.69 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -58.6 | -24.3 | 176.3 | -65.3 | -26.5 | 0 | 0 | 0 | 114 | L82 I86 G87 | L82-D84 PolarHBondContact O-N 3.04Å; L82-D84 VanDerWaalsContact O-N 3.09Å; D84-I86 PolarHBondContact O-N 3.48Å; D84-G87 PolarHBondContact O-N 3.36Å |
| 85 | L | 91.8 | Very high | 90.8 | Very high | 46 Ų | 46 | 39.5 Ų | 39.5 | 24% | 0.241 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -66.8 | -22.4 | 175.6 | -64 | -176 | 0 | 0 | 0 | 112.8 | A52 L53 L76 L82 S83 G87 V88 | A52-L85 HydrophobicContact CB-CD1 3.56Å; L53-L85 HydrophobicContact CD1-CB 3.89Å; L53-L85 HydrophobicContact CD2-CB 4.16Å; L53-L85 HydrophobicContact CG-CB 3.85Å; L53-L85 HydrophobicContact CG-CD1 4.16Å; L76-L85 HydrophobicContact CD1-CB 3.85Å; L82-L85 HydrophobicContact CB-CD1 3.84Å; L82-L85 HydrophobicContact CB-CG 4.19Å; L82-L85 HydrophobicContact CD1-CD1 4.11Å; L82-L85 HydrophobicContact CG-CD1 4.39Å; L82-L85 VanDerWaalsContact O-CB 3.25Å; L82-L85 WeakPolarHBondContact O-CB 3.36Å; L82-L85 WeakPolarHBondContact O-CG 3.46Å; L82-L85 PolarHBondContact O-N 3.36Å; S83-L85 PolarHBondContact O-N 3.44Å; S83-L85 VanDerWaalsContact O-N 3.11Å; L85-G87 PolarHBondContact O-N 2.93Å; L85-G87 VanDerWaalsContact O-N 3.15Å; L85-V88 HydrophobicContact CD2-CG2 4.26Å; L85-V88 WeakPolarHBondContact O-CB 3.45Å; L85-V88 PolarHBondContact O-N 3.42Å |
| 86 | I | 93.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -52.8 | -37.9 | 169.9 | -66 | 173 | 0 | 0 | 0 | 109.7 | I24 A26 L76 S83 D84 V88 V89 M90 L119 A123 | I24-I86 HydrophobicContact CD1-CG2 4.45Å; A26-I86 HydrophobicContact CB-CD1 4.03Å; L76-I86 HydrophobicContact CD1-CG1 4.46Å; L76-I86 HydrophobicContact CD2-CD1 4.03Å; L76-I86 HydrophobicContact CD2-CG1 3.92Å; S83-I86 VanDerWaalsContact O-CB 3.23Å; S83-I86 WeakPolarHBondContact O-CB 3.42Å; S83-I86 VanDerWaalsContact O-CG1 3.25Å; S83-I86 WeakPolarHBondContact O-CG1 3.47Å; S83-I86 PolarHBondContact O-N 2.99Å; D84-I86 PolarHBondContact O-N 3.48Å; I86-V88 VanDerWaalsContact C-N 3.26Å; I86-V88 PolarHBondContact O-N 2.99Å; I86-V89 PolarHBondContact O-N 3.34Å; I86-M90 HydrophobicContact CG2-CE 3.33Å; I86-M90 HydrophobicContact CG2-SD 3.96Å; I86-M90 PolarHBondContact O-N 3.17Å; I86-L119 HydrophobicContact CD1-CB 4.34Å; I86-L119 HydrophobicContact CD1-CD2 3.79Å; I86-A123 HydrophobicContact CG2-CB 4.08Å |
| 87 | G | 90.8 | Very high | 90.5 | Very high | 11 Ų | 11 | 44.3 Ų | 44.3 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -70.7 | -19.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | D84 L85 R126 | D84-G87 PolarHBondContact O-N 3.36Å; L85-G87 PolarHBondContact O-N 2.93Å; L85-G87 VanDerWaalsContact O-N 3.15Å; G87-R126 PolarHBondContact O-NE 3.03Å; G87-R126 PolarHBondContact O-NH2 2.57Å |
| 88 | V | 92 | Very high | 90.8 | Very high | 96 Ų | 96 | 44.3 Ų | 44.3 | 58% | 0.582 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -68.3 | -38 | 175.1 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | L53 L85 I86 | L53-V88 HydrophobicContact CD1-CB 4.13Å; L53-V88 HydrophobicContact CD1-CG1 4.37Å; L85-V88 HydrophobicContact CD2-CG2 4.26Å; L85-V88 WeakPolarHBondContact O-CB 3.45Å; L85-V88 PolarHBondContact O-N 3.42Å; I86-V88 VanDerWaalsContact C-N 3.26Å; I86-V88 PolarHBondContact O-N 2.99Å |
| 89 | V | 93.6 | Very high | 91.5 | Very high | 7 Ų | 7 | 44 Ų | 44 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -75 | -31.7 | -179.6 | -177.3 | 0 | 0 | 0 | 0 | 111.7 | T22 I24 L53 W74 I86 T91 N94 | T22-V89 HydrophobicContact CG2-CG1 4Å; I24-V89 HydrophobicContact CD1-CB 3.94Å; I24-V89 HydrophobicContact CD1-CG1 3.73Å; I24-V89 HydrophobicContact CG1-CB 4.43Å; I24-V89 HydrophobicContact CG1-CG1 3.86Å; L53-V89 HydrophobicContact CD1-CG2 4.07Å; L53-V89 HydrophobicContact CD2-CG2 4.1Å; W74-V89 HydrophobicContact CB-CG1 4.11Å; W74-V89 HydrophobicContact CB-CG2 4.04Å; W74-V89 HydrophobicContact CD2-CB 4.42Å; W74-V89 HydrophobicContact CD2-CG1 3.9Å; W74-V89 HydrophobicContact CD2-CG2 3.63Å; W74-V89 HydrophobicContact CE3-CG2 3.77Å; W74-V89 HydrophobicContact CG-CB 4.31Å; W74-V89 HydrophobicContact CG-CG1 3.51Å; W74-V89 HydrophobicContact CG-CG2 3.77Å; W74-V89 HydrophobicContact CZ3-CG2 4.44Å; I86-V89 PolarHBondContact O-N 3.34Å; V89-T91 PolarHBondContact O-N 3.48Å; V89-N94 PolarHBondContact O-ND2 2.74Å |
| 90 | M | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.24 | C | C | . | . | trans | -79.6 | 117.9 | -178.9 | -61.3 | 178 | 174 | 0 | 0 | 111.5 | I24 I86 L98 A123 R126 V127 I130 L169 | I24-M90 HydrophobicContact CD1-CE 3.74Å; I24-M90 HydrophobicContact CD1-CG 3.95Å; I86-M90 HydrophobicContact CG2-CE 3.33Å; I86-M90 HydrophobicContact CG2-SD 3.96Å; I86-M90 PolarHBondContact O-N 3.17Å; M90-L98 HydrophobicContact CB-CD1 4.14Å; M90-L98 HydrophobicContact CG-CD1 3.9Å; M90-A123 HydrophobicContact CE-CB 3.88Å; M90-R126 HydrophobicContact CB-CG 3.76Å; M90-R126 HydrophobicContact CG-CG 4.45Å; M90-R126 PolarHBondContact O-NE 3.12Å; M90-R126 PolarHBondContact O-NH2 3.2Å; M90-R126 HydrophobicContact SD-CB 4.14Å; M90-R126 HydrophobicContact SD-CG 4Å; M90-V127 HydrophobicContact SD-CG2 4.31Å; M90-I130 HydrophobicContact CB-CD1 3.88Å; M90-I130 WeakPolarHBondContact O-CD1 3.4Å; M90-L169 HydrophobicContact CE-CD1 3.67Å; M90-L169 HydrophobicContact SD-CD1 4.26Å | ||
| 91 | T | 92.2 | Very high | 92.4 | Very high | 44 Ų | 44 | 42.7 Ų | 42.7 | 27% | 0.27 | 23% | 0.232 | S | C | . | . | trans | -131.2 | 159.3 | -178.1 | 72.6 | 0 | 0 | 0 | 0 | 110.8 | V89 N93 N94 I95 | V89-T91 PolarHBondContact O-N 3.48Å; T91-N93 PolarHBondContact O-N 3.25Å; T91-N93 VanDerWaalsContact O-N 3.1Å; T91-N93 PolarHBondContact OG1-N 3.49Å; T91-N94 PolarHBondContact N-OD1 3.06Å; T91-N94 PolarHBondContact O-N 2.73Å; T91-N94 PolarHBondContact O-OD1 3Å; T91-N94 VanDerWaalsContact OG1-CG 3.25Å; T91-N94 PolarHBondContact OG1-N 3.31Å; T91-N94 PolarHBondContact OG1-OD1 3.45Å; T91-I95 WeakPolarHBondContact O-CB 3.37Å; T91-I95 PolarHBondContact O-N 2.92Å; T91-I95 VanDerWaalsContact O-N 3.13Å | ||
| 92 | P | 88.6 | Confident | 93 | Very high | 53 Ų | 53 | 37 Ų | 37 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -26.7 | 173.2 | -24.5 | 33.4 | 0 | 0 | 0 | 114.1 | I130 L134 | P92-I130 HydrophobicContact CB-CG2 4.33Å; P92-I130 HydrophobicContact CG-CG2 4.13Å; P92-L134 HydrophobicContact CB-CD2 4.21Å |
| 93 | N | 88 | Confident | 93.5 | Very high | 157 Ų | 157 | 34.9 Ų | 34.9 | 84% | 0.84 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -29.3 | -175.2 | -65 | -17 | 0 | 0 | 0 | 113.1 | T91 | T91-N93 PolarHBondContact O-N 3.25Å; T91-N93 VanDerWaalsContact O-N 3.1Å; T91-N93 PolarHBondContact OG1-N 3.49Å |
| 94 | N | 92.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 34.5 Ų | 34.5 | 16% | 0.16 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -6.9 | -176.2 | 65.2 | 5.3 | 0 | 0 | 0 | 113.9 | V89 T91 L96 N97 L98 | V89-N94 PolarHBondContact O-ND2 2.74Å; T91-N94 PolarHBondContact N-OD1 3.06Å; T91-N94 PolarHBondContact O-N 2.73Å; T91-N94 PolarHBondContact O-OD1 3Å; T91-N94 VanDerWaalsContact OG1-CG 3.25Å; T91-N94 PolarHBondContact OG1-N 3.31Å; T91-N94 PolarHBondContact OG1-OD1 3.45Å; N94-L96 PolarHBondContact O-N 3.13Å; N94-N97 CarbonylContact O-C 3.58Å; N94-N97 PolarHBondContact O-N 3.41Å; N94-L98 HydrophobicContact CB-CD1 4.46Å; N94-L98 HydrophobicContact CB-CG 4.36Å; N94-L98 WeakPolarHBondContact O-CG 3.1Å; N94-L98 PolarHBondContact O-N 2.97Å; N94-L98 VanDerWaalsContact O-N 3.13Å; N94-L98 WeakPolarHBondContact OD1-CD1 3.37Å |
| 95 | I | 93.1 | Very high | 94.2 | Very high | 2 Ų | 2 | 28.8 Ų | 28.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | G | 310 helix | trans | -53.7 | -31.9 | -175.3 | -158.3 | 66.3 | 0 | 0 | 0 | 114.6 | T91 N97 L98 V127 I130 I142 F146 L169 | T91-I95 WeakPolarHBondContact O-CB 3.37Å; T91-I95 PolarHBondContact O-N 2.92Å; T91-I95 VanDerWaalsContact O-N 3.13Å; I95-N97 VanDerWaalsContact C-N 3.34Å; I95-L98 HydrophobicContact CD1-CD1 4.08Å; I95-V127 HydrophobicContact CD1-CG2 4.15Å; I95-I130 HydrophobicContact CD1-CD1 4.03Å; I95-I130 HydrophobicContact CG1-CG2 4.48Å; I95-I142 HydrophobicContact CG2-CG2 4.04Å; I95-F146 HydrophobicContact CG1-CD2 4.23Å; I95-F146 HydrophobicContact CG1-CE2 3.89Å; I95-L169 HydrophobicContact CD1-CD2 3.9Å; I95-L169 HydrophobicContact CG1-CD2 4.3Å |
| 96 | L | 92.2 | Very high | 94.5 | Very high | 43 Ų | 43 | 26.6 Ų | 26.6 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -76.5 | -20.2 | -179.9 | -63.9 | -179.8 | 0 | 0 | 0 | 113.8 | N94 I142 I145 F146 K149 | N94-L96 PolarHBondContact O-N 3.13Å; L96-I142 HydrophobicContact CD1-CG2 4.27Å; L96-I142 HydrophobicContact CD2-CG2 4.14Å; L96-I142 HydrophobicContact CG-CG2 4.18Å; L96-I145 HydrophobicContact CD1-CB 4.37Å; L96-I145 HydrophobicContact CD1-CD1 4.47Å; L96-I145 HydrophobicContact CD1-CG2 4.04Å; L96-I145 HydrophobicContact CD2-CB 4.25Å; L96-I145 HydrophobicContact CD2-CG2 3.96Å; L96-F146 HydrophobicContact CD2-CB 3.92Å; L96-F146 HydrophobicContact CD2-CD2 4.17Å; L96-K149 PolarHBondContact O-NZ 3.46Å |
| 97 | N | 93.3 | Very high | 94.6 | Very high | 67 Ų | 67 | 27.5 Ų | 27.5 | 36% | 0.358 | 16% | 0.158 | S | C | . | . | G | 310 helix | trans | -124.7 | 24.3 | -176 | -59.3 | -16.5 | 0 | 0 | 0 | 111.4 | E20 T22 N94 I95 K149 | E20-N97 WeakPolarHBondContact O-CB 3.01Å; E20-N97 PolarHBondContact O-ND2 2.98Å; T22-N97 PolarHBondContact N-O 2.89Å; N94-N97 CarbonylContact O-C 3.58Å; N94-N97 PolarHBondContact O-N 3.41Å; I95-N97 VanDerWaalsContact C-N 3.34Å; N97-K149 PolarHBondContact OD1-NZ 3.47Å |
| 98 | L | 95.9 | Very high | 94.9 | Very high | 2 Ų | 2 | 30.1 Ų | 30.1 | 1% | 0.01 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 136.6 | 176.9 | -96.2 | 169.2 | 0 | 0 | 0 | 110.4 | T22 I24 M90 N94 I95 L169 P170 | T22-L98 HydrophobicContact CG2-CD2 3.43Å; T22-L98 VanDerWaalsContact CG2-CD2 3.43Å; T22-L98 HydrophobicContact CG2-CG 4.43Å; T22-L98 CarbonylContact O-C 3.5Å; T22-L98 WeakPolarHBondContact O-CA 3.34Å; I24-L98 HydrophobicContact CD1-CD2 3.61Å; I24-L98 HydrophobicContact CG1-CD2 3.91Å; M90-L98 HydrophobicContact CB-CD1 4.14Å; M90-L98 HydrophobicContact CG-CD1 3.9Å; N94-L98 HydrophobicContact CB-CD1 4.46Å; N94-L98 HydrophobicContact CB-CG 4.36Å; N94-L98 WeakPolarHBondContact O-CG 3.1Å; N94-L98 PolarHBondContact O-N 2.97Å; N94-L98 VanDerWaalsContact O-N 3.13Å; N94-L98 WeakPolarHBondContact OD1-CD1 3.37Å; I95-L98 HydrophobicContact CD1-CD1 4.08Å; L98-L169 HydrophobicContact CB-CD1 4.46Å; L98-L169 HydrophobicContact CB-CD2 4.42Å; L98-P170 WeakPolarHBondContact O-CD 3.15Å |
| 99 | H | 97.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 25.5 Ų | 25.5 | 14% | 0.139 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.4 | 173.5 | -162.1 | 115.2 | 0 | 0 | 0 | 109.7 | T22 L23 I24 P170 T172 I228 | T22-H99 PolarHBondContact O-N 3.06Å; L23-H99 WeakPolarHBondContact CA-O 3.46Å; L23-H99 HydrophobicContact CG-CB 4.46Å; I24-H99 PolarHBondContact N-O 3.42Å; H99-P170 HydrophobicContact CB-CB 4.4Å; H99-P170 VanDerWaalsContact ND1-CB 3.27Å; H99-P170 WeakPolarHBondContact ND1-CB 3.46Å; H99-T172 PolarHBondContact NE2-OG1 3.13Å; H99-I228 HydrophobicContact CB-CG2 3.79Å; H99-I228 VanDerWaalsContact CG-CG2 3.47Å; H99-I228 WeakPolarHBondContact ND1-CG2 3.42Å |
| 100 | L | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 125.3 | 177.2 | -177.2 | 60.9 | 0 | 0 | 0 | 109.8 | I24 A26 L120 A123 F167 P170 L171 T172 | I24-L100 HydrophobicContact CB-CD1 4Å; I24-L100 HydrophobicContact CG2-CD1 3.98Å; A26-L100 HydrophobicContact CB-CD1 4.14Å; L100-L120 HydrophobicContact CD2-CD2 3.95Å; L100-A123 HydrophobicContact CD2-CB 3.95Å; L100-F167 HydrophobicContact CD2-CE1 3.78Å; L100-F167 HydrophobicContact CD2-CZ 3.99Å; L100-P170 PolarHBondContact N-O 2.78Å; L100-L171 HydrophobicContact CB-CD1 4.09Å; L100-L171 HydrophobicContact CD2-CD1 4.04Å; L100-L171 HydrophobicContact CG-CD1 3.96Å; L100-L171 CarbonylContact O-C 3.45Å; L100-L171 WeakPolarHBondContact O-CA 3.02Å; L100-T172 PolarHBondContact O-N 2.97Å |
| 101 | I | 98.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 108.1 | 177.1 | -58.4 | 171.1 | 0 | 0 | 0 | 107.8 | L23 I24 F25 A26 V103 T172 L174 L225 | L23-I101 HydrophobicContact CB-CD1 4.33Å; L23-I101 HydrophobicContact CD2-CD1 3.88Å; L23-I101 HydrophobicContact CG-CD1 4.1Å; I24-I101 PolarHBondContact O-N 2.92Å; F25-I101 WeakPolarHBondContact CA-O 3.42Å; F25-I101 HydrophobicContact CD1-CB 4.11Å; F25-I101 HydrophobicContact CD1-CD1 4.46Å; F25-I101 HydrophobicContact CD1-CG2 3.86Å; F25-I101 HydrophobicContact CD2-CD1 4.34Å; F25-I101 HydrophobicContact CE1-CB 4.22Å; F25-I101 HydrophobicContact CE1-CD1 3.87Å; F25-I101 HydrophobicContact CE1-CG2 3.8Å; F25-I101 HydrophobicContact CE2-CD1 3.72Å; F25-I101 HydrophobicContact CG-CB 4.38Å; F25-I101 HydrophobicContact CZ-CD1 3.46Å; F25-I101 VanDerWaalsContact CZ-CD1 3.46Å; F25-I101 HydrophobicContact CZ-CG2 4.5Å; A26-I101 PolarHBondContact N-O 2.94Å; I101-V103 HydrophobicContact CG2-CG2 4.15Å; I101-T172 CarbonylContact C-O 3.57Å; I101-T172 WeakPolarHBondContact CA-O 3.2Å; I101-L174 HydrophobicContact CG2-CB 4.17Å; I101-L225 HydrophobicContact CD1-CD2 3.51Å |
| 102 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 106.5 | -179 | -168.4 | 70.7 | 0 | 0 | 0 | 109.9 | A26 I104 V116 L119 L171 T172 F173 L174 | A26-L102 CarbonylContact O-C 3.52Å; A26-L102 WeakPolarHBondContact O-CA 3.16Å; L102-I104 HydrophobicContact CD2-CD1 3.99Å; L102-I104 HydrophobicContact CD2-CG1 4.46Å; L102-I104 HydrophobicContact CG-CD1 3.85Å; L102-I104 HydrophobicContact CG-CG1 4.31Å; L102-V116 HydrophobicContact CD2-CB 4.15Å; L102-V116 HydrophobicContact CD2-CG1 4.15Å; L102-V116 HydrophobicContact CD2-CG2 3.73Å; L102-L119 HydrophobicContact CD1-CB 3.85Å; L102-L119 HydrophobicContact CD1-CD1 3.41Å; L102-L119 VanDerWaalsContact CD1-CD1 3.41Å; L102-L119 HydrophobicContact CD1-CG 4.26Å; L102-L171 HydrophobicContact CB-CD1 4.27Å; L102-T172 PolarHBondContact N-O 3.04Å; L102-F173 HydrophobicContact CD2-CD1 3.96Å; L102-F173 HydrophobicContact CD2-CE1 3.59Å; L102-F173 HydrophobicContact CD2-CZ 3.98Å; L102-L174 PolarHBondContact O-N 3.15Å |
| 103 | V | 98.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 109.4 | -176.2 | -172.4 | 0 | 0 | 0 | 0 | 110.3 | F25 A26 G27 S31 K33 I101 L174 T176 | F25-V103 HydrophobicContact CD1-CG2 3.85Å; A26-V103 PolarHBondContact O-N 3.13Å; G27-V103 WeakPolarHBondContact CA-O 3.37Å; S31-V103 WeakPolarHBondContact O-CG1 3.41Å; S31-V103 PolarHBondContact OG-O 2.86Å; K33-V103 HydrophobicContact CD-CB 4.44Å; K33-V103 HydrophobicContact CG-CB 3.65Å; K33-V103 HydrophobicContact CG-CG1 3.98Å; K33-V103 HydrophobicContact CG-CG2 3.76Å; I101-V103 HydrophobicContact CG2-CG2 4.15Å; V103-L174 CarbonylContact C-O 3.54Å; V103-L174 WeakPolarHBondContact CA-O 3.47Å; V103-L174 HydrophobicContact CG2-CB 4.35Å; V103-L174 HydrophobicContact CG2-CD2 4.26Å; V103-T176 HydrophobicContact CG1-CG2 3.57Å |
| 104 | I | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 19 Ų | 19 | 3% | 0.026 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 132.9 | -175.7 | -57.2 | -58.8 | 0 | 0 | 0 | 109.6 | L102 L106 L112 T115 V116 F173 L174 G175 T176 | L102-I104 HydrophobicContact CD2-CD1 3.99Å; L102-I104 HydrophobicContact CD2-CG1 4.46Å; L102-I104 HydrophobicContact CG-CD1 3.85Å; L102-I104 HydrophobicContact CG-CG1 4.31Å; I104-L106 PolarHBondContact O-N 3.27Å; I104-L112 HydrophobicContact CG2-CB 4.34Å; I104-L112 HydrophobicContact CG2-CD1 3.81Å; I104-L112 HydrophobicContact CG2-CG 3.78Å; I104-T115 HydrophobicContact CD1-CG2 3.85Å; I104-V116 HydrophobicContact CD1-CG2 3.87Å; I104-F173 HydrophobicContact CG1-CD1 4.39Å; I104-L174 PolarHBondContact N-O 3.03Å; I104-G175 CarbonylContact O-C 3.25Å; I104-G175 WeakPolarHBondContact O-CA 3.48Å; I104-T176 PolarHBondContact O-N 3.17Å; I104-T176 PolarHBondContact O-OG1 3.35Å; I104-T176 VanDerWaalsContact O-OG1 3.08Å |
| 105 | D | 97.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 5% | 0.048 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 106.4 | 172.6 | -173.6 | -14.3 | 0 | 0 | 0 | 109.9 | S107 K108 K177 | D105-S107 VanDerWaalsContact CG-OG 3.26Å; D105-S107 PolarHBondContact O-N 3.43Å; D105-S107 WeakPolarHBondContact OD1-CB 3.4Å; D105-S107 PolarHBondContact OD1-N 3.1Å; D105-S107 PolarHBondContact OD1-OG 3.39Å; D105-S107 PolarHBondContact OD2-OG 2.9Å; D105-K108 HydrophobicContact CB-CB 4.46Å; D105-K108 PolarHBondContact O-N 3.3Å; D105-K108 VanDerWaalsContact O-N 3.1Å; D105-K177 VanDerWaalsContact OD1-CD 3.29Å; D105-K177 WeakPolarHBondContact OD1-CD 3.49Å; D105-K177 IonicContact OD1-NZ 3.77Å; D105-K177 WeakPolarHBondContact OD2-CE 3.4Å; D105-K177 IonicContact OD2-NZ 3.95Å; D105-K177 PolarHBondContact OD2-NZ 2.82Å |
| 106 | L | 98 | Very high | 96.6 | Very high | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -16.6 | -177.5 | -57.9 | 171.9 | 0 | 0 | 0 | 112.6 | I104 K108 T176 H178 L181 I192 I196 F209 | I104-L106 PolarHBondContact O-N 3.27Å; L106-K108 PolarHBondContact O-N 3.42Å; L106-T176 WeakPolarHBondContact CB-O 3.32Å; L106-T176 WeakPolarHBondContact CG-O 3.39Å; L106-T176 PolarHBondContact N-O 3.32Å; L106-H178 HydrophobicContact CD1-CB 4.2Å; L106-L181 HydrophobicContact CB-CB 4.03Å; L106-L181 HydrophobicContact CB-CD2 4.28Å; L106-L181 HydrophobicContact CD1-CD2 4.09Å; L106-I192 HydrophobicContact CD2-CG2 4.39Å; L106-I196 HydrophobicContact CD2-CD1 3.27Å; L106-F209 HydrophobicContact CD1-CB 4.28Å; L106-F209 HydrophobicContact CD1-CD1 3.87Å; L106-F209 HydrophobicContact CD1-CD2 3.84Å; L106-F209 HydrophobicContact CD1-CE1 4.1Å; L106-F209 HydrophobicContact CD1-CE2 4.04Å; L106-F209 HydrophobicContact CD1-CG 3.74Å; L106-F209 HydrophobicContact CD1-CZ 4.18Å; L106-F209 HydrophobicContact CD2-CD1 4.36Å; L106-F209 HydrophobicContact CD2-CE1 3.82Å; L106-F209 HydrophobicContact CD2-CE2 4.42Å; L106-F209 HydrophobicContact CD2-CZ 3.84Å |
| 107 | S | 96.3 | Very high | 96.7 | Very high | 19 Ų | 19 | 19.6 Ų | 19.6 | 13% | 0.133 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.5 | 175 | 72.7 | 0 | 0 | 0 | 0 | 112.8 | D105 P109 R184 | D105-S107 VanDerWaalsContact CG-OG 3.26Å; D105-S107 PolarHBondContact O-N 3.43Å; D105-S107 WeakPolarHBondContact OD1-CB 3.4Å; D105-S107 PolarHBondContact OD1-N 3.1Å; D105-S107 PolarHBondContact OD1-OG 3.39Å; D105-S107 PolarHBondContact OD2-OG 2.9Å; S107-P109 WeakPolarHBondContact O-CD 3.46Å; S107-R184 PolarHBondContact O-NH2 3.06Å |
| 108 | K | 96.2 | Very high | 96.8 | Very high | 65 Ų | 65 | 18.3 Ų | 18.3 | 28% | 0.283 | 9% | 0.091 | S | C | . | . | trans | -125.5 | 67.5 | -174.4 | -60 | -171.5 | -179.6 | -176.7 | 0 | 113.2 | D105 L106 E110 E111 | D105-K108 HydrophobicContact CB-CB 4.46Å; D105-K108 PolarHBondContact O-N 3.3Å; D105-K108 VanDerWaalsContact O-N 3.1Å; L106-K108 PolarHBondContact O-N 3.42Å; K108-E110 VanDerWaalsContact CA-OE2 3.25Å; K108-E110 WeakPolarHBondContact CA-OE2 3.31Å; K108-E110 PolarHBondContact O-N 3.01Å; K108-E110 VanDerWaalsContact O-N 3.11Å; K108-E111 HydrophobicContact CB-CB 4.47Å; K108-E111 HydrophobicContact CB-CG 4.38Å; K108-E111 HydrophobicContact CD-CG 4.42Å; K108-E111 VanDerWaalsContact CD-OE1 3.23Å; K108-E111 WeakPolarHBondContact CD-OE1 3.33Å; K108-E111 IonicContact NZ-OE1 3.4Å; K108-E111 PolarHBondContact NZ-OE1 3.48Å; K108-E111 IonicContact NZ-OE2 2.83Å; K108-E111 PolarHBondContact O-N 2.82Å | ||
| 109 | P | 96.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -58.5 | -23.4 | 177.1 | 27.3 | -37 | 0 | 0 | 0 | 113.6 | S107 E111 L112 I192 F284 F288 Q290 | S107-P109 WeakPolarHBondContact O-CD 3.46Å; P109-E111 PolarHBondContact O-N 2.91Å; P109-L112 WeakPolarHBondContact O-CB 3.22Å; P109-L112 PolarHBondContact O-N 3.41Å; P109-I192 HydrophobicContact CB-CD1 3.83Å; P109-I192 HydrophobicContact CB-CG1 4.01Å; P109-I192 HydrophobicContact CG-CD1 3.94Å; P109-F284 HydrophobicContact CB-CZ 3.81Å; P109-F284 WeakPolarHBondContact O-CE1 3.25Å; P109-F288 HydrophobicContact CB-CB 4.2Å; P109-F288 HydrophobicContact CB-CD1 3.85Å; P109-F288 HydrophobicContact CB-CD2 3.84Å; P109-F288 HydrophobicContact CB-CE1 4.11Å; P109-F288 HydrophobicContact CB-CE2 4.08Å; P109-F288 HydrophobicContact CB-CG 3.7Å; P109-F288 HydrophobicContact CB-CZ 4.2Å; P109-F288 HydrophobicContact CG-CD1 3.49Å; P109-F288 VanDerWaalsContact CG-CD1 3.49Å; P109-F288 HydrophobicContact CG-CD2 4.37Å; P109-F288 HydrophobicContact CG-CE1 3.58Å; P109-F288 HydrophobicContact CG-CE2 4.42Å; P109-F288 HydrophobicContact CG-CG 3.9Å; P109-F288 HydrophobicContact CG-CZ 4.05Å; P109-Q290 PolarHBondContact O-NE2 3.49Å |
| 110 | E | 96.3 | Very high | 96.9 | Very high | 38 Ų | 38 | 17.1 Ų | 17.1 | 18% | 0.178 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -72.3 | -4 | 176.3 | 74.7 | -82 | -167.4 | 0 | 0 | 114.7 | K108 P289 Q290 K291 | K108-E110 VanDerWaalsContact CA-OE2 3.25Å; K108-E110 WeakPolarHBondContact CA-OE2 3.31Å; K108-E110 PolarHBondContact O-N 3.01Å; K108-E110 VanDerWaalsContact O-N 3.11Å; E110-P289 WeakPolarHBondContact CB-O 3.48Å; E110-Q290 CarbonylContact O-C 3.27Å; E110-Q290 VanDerWaalsContact O-CA 3.27Å; E110-Q290 WeakPolarHBondContact O-CA 3.07Å; E110-K291 HydrophobicContact CB-CG 4.45Å; E110-K291 HydrophobicContact CG-CD 3.63Å; E110-K291 VanDerWaalsContact CG-CE 3.47Å; E110-K291 HydrophobicContact CG-CG 3.98Å; E110-K291 PolarHBondContact O-N 3.04Å; E110-K291 IonicContact OE1-NZ 3Å; E110-K291 PolarHBondContact OE1-NZ 3.41Å |
| 111 | E | 95.1 | Very high | 96.7 | Very high | 39 Ų | 39 | 24.6 Ų | 24.6 | 18% | 0.182 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -111.5 | -11.4 | 171.4 | -65.4 | -179.4 | -165.6 | 0 | 0 | 112.1 | N28 K108 P109 T115 | N28-E111 PolarHBondContact ND2-OE2 2.72Å; K108-E111 HydrophobicContact CB-CB 4.47Å; K108-E111 HydrophobicContact CB-CG 4.38Å; K108-E111 HydrophobicContact CD-CG 4.42Å; K108-E111 VanDerWaalsContact CD-OE1 3.23Å; K108-E111 WeakPolarHBondContact CD-OE1 3.33Å; K108-E111 IonicContact NZ-OE1 3.4Å; K108-E111 PolarHBondContact NZ-OE1 3.48Å; K108-E111 IonicContact NZ-OE2 2.83Å; K108-E111 PolarHBondContact O-N 2.82Å; P109-E111 PolarHBondContact O-N 2.91Å; E111-T115 VanDerWaalsContact O-CB 3.25Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 2.99Å; E111-T115 VanDerWaalsContact O-N 3.13Å; E111-T115 PolarHBondContact O-OG1 2.88Å |
| 112 | L | 96.8 | Very high | 96.6 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65 | -55.4 | -164.6 | -178.6 | 157.9 | 0 | 0 | 0 | 112.9 | I104 P109 T115 V116 I196 L199 F284 | I104-L112 HydrophobicContact CG2-CB 4.34Å; I104-L112 HydrophobicContact CG2-CD1 3.81Å; I104-L112 HydrophobicContact CG2-CG 3.78Å; P109-L112 WeakPolarHBondContact O-CB 3.22Å; P109-L112 PolarHBondContact O-N 3.41Å; L112-T115 PolarHBondContact O-N 2.86Å; L112-V116 HydrophobicContact CD2-CG2 4.24Å; L112-V116 VanDerWaalsContact O-CG2 3.24Å; L112-V116 WeakPolarHBondContact O-CG2 3.2Å; L112-V116 PolarHBondContact O-N 3.27Å; L112-I196 HydrophobicContact CD1-CD1 3.75Å; L112-I196 HydrophobicContact CD1-CG1 3.76Å; L112-L199 HydrophobicContact CD2-CD1 3.98Å; L112-F284 HydrophobicContact CB-CE1 4.17Å; L112-F284 HydrophobicContact CB-CZ 4.23Å; L112-F284 HydrophobicContact CD1-CZ 4.04Å; L112-F284 HydrophobicContact CD2-CE1 4.16Å; L112-F284 HydrophobicContact CD2-CZ 4.24Å; L112-F284 HydrophobicContact CG-CZ 4.41Å |
| 113 | W | 96.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 3% | 0.03 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.6 | -44.4 | -171.6 | -162.3 | -72.1 | 0 | 0 | 0 | 111 | T115 V116 E117 T195 L199 L277 W280 K281 F284 Q290 | W113-T115 VanDerWaalsContact C-N 3.3Å; W113-T115 PolarHBondContact O-N 2.79Å; W113-V116 PolarHBondContact O-N 3.2Å; W113-E117 WeakPolarHBondContact O-CB 3.45Å; W113-E117 PolarHBondContact O-N 3.03Å; W113-T195 HydrophobicContact CE3-CG2 4.11Å; W113-T195 HydrophobicContact CZ3-CG2 3.75Å; W113-L199 HydrophobicContact CE3-CD1 4.37Å; W113-L199 HydrophobicContact CH2-CD2 3.89Å; W113-L199 HydrophobicContact CZ2-CD2 4.16Å; W113-L199 HydrophobicContact CZ3-CD1 4.3Å; W113-L199 HydrophobicContact CZ3-CD2 4.24Å; W113-L199 HydrophobicContact CZ3-CG 4.49Å; W113-L277 HydrophobicContact CH2-CD1 4.13Å; W113-L277 HydrophobicContact CZ2-CD1 3.81Å; W113-L277 HydrophobicContact CZ2-CG 4.34Å; W113-W280 HydrophobicContact CH2-CB 3.87Å; W113-W280 HydrophobicContact CZ3-CB 4.18Å; W113-K281 HydrophobicContact CD2-CB 4.34Å; W113-K281 HydrophobicContact CD2-CG 4.06Å; W113-K281 VanDerWaalsContact CE2-CG 3.48Å; W113-K281 HydrophobicContact CG-CG 4.43Å; W113-K281 HydrophobicContact CH2-CB 3.74Å; W113-K281 HydrophobicContact CH2-CG 4.47Å; W113-K281 HydrophobicContact CZ2-CB 3.33Å; W113-K281 HydrophobicContact CZ2-CD 4.16Å; W113-K281 HydrophobicContact CZ2-CG 3.75Å; W113-K281 HydrophobicContact CZ3-CB 4.38Å; W113-F284 HydrophobicContact CB-CD1 4.38Å; W113-F284 HydrophobicContact CE3-CB 4.08Å; W113-F284 AromaticContact CE3-CD1 3.89Å; W113-F284 HydrophobicContact CE3-CD1 3.89Å; W113-F284 HydrophobicContact CE3-CG 4.17Å; W113-F284 HydrophobicContact CZ3-CB 4.18Å; W113-Q290 HydrophobicContact CB-CG 3.99Å |
| 114 | D | 95.1 | Very high | 96.4 | Very high | 35 Ų | 35 | 27 Ų | 27 | 19% | 0.187 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.4 | -41.9 | 176.9 | -172.5 | 67.9 | 0 | 0 | 0 | 112.2 | T118 Q290 S292 | D114-T118 WeakPolarHBondContact O-CB 3.43Å; D114-T118 PolarHBondContact O-N 3.42Å; D114-T118 PolarHBondContact O-OG1 2.89Å; D114-Q290 HydrophobicContact CB-CB 4.44Å; D114-Q290 VanDerWaalsContact N-OE1 3.16Å; D114-S292 VanDerWaalsContact CB-OG 3.27Å; D114-S292 WeakPolarHBondContact CB-OG 3.42Å; D114-S292 VanDerWaalsContact OD1-CB 3.31Å; D114-S292 WeakPolarHBondContact OD1-CB 3.37Å; D114-S292 PolarHBondContact OD1-OG 2.85Å |
| 115 | T | 95.8 | Very high | 96.3 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 3% | 0.025 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62 | -48 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | N28 V80 I104 E111 L112 W113 L119 | N28-T115 PolarHBondContact ND2-OG1 3.44Å; N28-T115 PolarHBondContact OD1-OG1 2.85Å; V80-T115 HydrophobicContact CG1-CG2 4.42Å; I104-T115 HydrophobicContact CD1-CG2 3.85Å; E111-T115 VanDerWaalsContact O-CB 3.25Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 2.99Å; E111-T115 VanDerWaalsContact O-N 3.13Å; E111-T115 PolarHBondContact O-OG1 2.88Å; L112-T115 PolarHBondContact O-N 2.86Å; W113-T115 VanDerWaalsContact C-N 3.3Å; W113-T115 PolarHBondContact O-N 2.79Å; T115-L119 HydrophobicContact CG2-CD1 3.57Å; T115-L119 HydrophobicContact CG2-CG 4.46Å; T115-L119 VanDerWaalsContact O-CB 3.3Å; T115-L119 WeakPolarHBondContact O-CB 3.43Å; T115-L119 WeakPolarHBondContact O-CD1 3.41Å; T115-L119 WeakPolarHBondContact O-CG 3.43Å; T115-L119 PolarHBondContact O-N 2.85Å; T115-L119 VanDerWaalsContact O-N 3.12Å |
| 116 | V | 97.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 30.7 Ų | 30.7 | 2% | 0.018 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.5 | -52.7 | 179.4 | 176.3 | 0 | 0 | 0 | 0 | 110.6 | L102 I104 L112 W113 T118 L120 F173 L199 Y203 | L102-V116 HydrophobicContact CD2-CB 4.15Å; L102-V116 HydrophobicContact CD2-CG1 4.15Å; L102-V116 HydrophobicContact CD2-CG2 3.73Å; I104-V116 HydrophobicContact CD1-CG2 3.87Å; L112-V116 HydrophobicContact CD2-CG2 4.24Å; L112-V116 VanDerWaalsContact O-CG2 3.24Å; L112-V116 WeakPolarHBondContact O-CG2 3.2Å; L112-V116 PolarHBondContact O-N 3.27Å; W113-V116 PolarHBondContact O-N 3.2Å; V116-T118 PolarHBondContact O-N 2.84Å; V116-L120 HydrophobicContact CG1-CD1 3.7Å; V116-L120 HydrophobicContact CG1-CG 4.3Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 VanDerWaalsContact O-CG 3.25Å; V116-L120 WeakPolarHBondContact O-CG 3.3Å; V116-L120 PolarHBondContact O-N 2.89Å; V116-F173 HydrophobicContact CG1-CE1 3.94Å; V116-F173 HydrophobicContact CG1-CZ 3.95Å; V116-F173 HydrophobicContact CG2-CE1 3.75Å; V116-L199 HydrophobicContact CG1-CD1 4.46Å; V116-L199 HydrophobicContact CG2-CD1 4.4Å; V116-Y203 HydrophobicContact CG1-CE2 4.35Å |
| 117 | E | 95.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 30.6 Ų | 30.6 | 37% | 0.374 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -61.4 | -48.1 | -176.2 | -173.4 | 166.6 | -147.4 | 0 | 0 | 111.7 | W113 K121 K281 | W113-E117 WeakPolarHBondContact O-CB 3.45Å; W113-E117 PolarHBondContact O-N 3.03Å; E117-K121 WeakPolarHBondContact O-CB 3.4Å; E117-K121 PolarHBondContact O-N 2.97Å; E117-K281 IonicContact OE1-NZ 3.75Å; E117-K281 PolarHBondContact OE1-NZ 2.8Å; E117-K281 IonicContact OE2-NZ 2.66Å; E117-K281 PolarHBondContact OE2-NZ 2.72Å |
| 118 | T | 95.4 | Very high | 96.1 | Very high | 40 Ų | 40 | 33.3 Ų | 33.3 | 25% | 0.245 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.2 | -46.7 | -178.2 | -59.4 | 0 | 0 | 0 | 0 | 112.2 | V80 D114 V116 K121 S122 | V80-T118 HydrophobicContact CB-CG2 3.98Å; V80-T118 HydrophobicContact CG1-CG2 4.22Å; D114-T118 WeakPolarHBondContact O-CB 3.43Å; D114-T118 PolarHBondContact O-N 3.42Å; D114-T118 PolarHBondContact O-OG1 2.89Å; V116-T118 PolarHBondContact O-N 2.84Å; T118-K121 PolarHBondContact O-N 3.49Å; T118-S122 PolarHBondContact O-N 3.37Å |
| 119 | L | 96.3 | Very high | 96 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -72 | -40.9 | -175.8 | -63.4 | 173.9 | 0 | 0 | 0 | 111.9 | A26 L76 V80 I86 L102 T115 A123 | A26-L119 HydrophobicContact CB-CD1 4.01Å; A26-L119 HydrophobicContact CB-CD2 4.41Å; L76-L119 HydrophobicContact CD2-CD2 3.71Å; V80-L119 HydrophobicContact CG1-CG 4.35Å; I86-L119 HydrophobicContact CD1-CB 4.34Å; I86-L119 HydrophobicContact CD1-CD2 3.79Å; L102-L119 HydrophobicContact CD1-CB 3.85Å; L102-L119 HydrophobicContact CD1-CD1 3.41Å; L102-L119 VanDerWaalsContact CD1-CD1 3.41Å; L102-L119 HydrophobicContact CD1-CG 4.26Å; T115-L119 HydrophobicContact CG2-CD1 3.57Å; T115-L119 HydrophobicContact CG2-CG 4.46Å; T115-L119 VanDerWaalsContact O-CB 3.3Å; T115-L119 WeakPolarHBondContact O-CB 3.43Å; T115-L119 WeakPolarHBondContact O-CD1 3.41Å; T115-L119 WeakPolarHBondContact O-CG 3.43Å; T115-L119 PolarHBondContact O-N 2.85Å; T115-L119 VanDerWaalsContact O-N 3.12Å; L119-A123 VanDerWaalsContact O-CB 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.4Å; L119-A123 PolarHBondContact O-N 2.79Å |
| 120 | L | 97.4 | Very high | 95.8 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 4% | 0.042 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.8 | -39.4 | 175.5 | -65.7 | -175.7 | 0 | 0 | 0 | 111.5 | L100 V116 A123 S124 F167 L171 F173 Y203 | L100-L120 HydrophobicContact CD2-CD2 3.95Å; V116-L120 HydrophobicContact CG1-CD1 3.7Å; V116-L120 HydrophobicContact CG1-CG 4.3Å; V116-L120 VanDerWaalsContact O-CB 3.31Å; V116-L120 WeakPolarHBondContact O-CB 3.42Å; V116-L120 VanDerWaalsContact O-CG 3.25Å; V116-L120 WeakPolarHBondContact O-CG 3.3Å; V116-L120 PolarHBondContact O-N 2.89Å; L120-A123 PolarHBondContact O-N 3.08Å; L120-S124 VanDerWaalsContact O-CB 3.26Å; L120-S124 WeakPolarHBondContact O-CB 3.47Å; L120-S124 PolarHBondContact O-N 2.91Å; L120-F167 HydrophobicContact CB-CD2 4.31Å; L120-F167 HydrophobicContact CB-CE2 4.07Å; L120-F167 HydrophobicContact CD2-CD2 3.87Å; L120-F167 HydrophobicContact CD2-CE1 4.5Å; L120-F167 HydrophobicContact CD2-CE2 3.86Å; L120-F167 HydrophobicContact CD2-CG 4.27Å; L120-F167 HydrophobicContact CD2-CZ 4.21Å; L120-F167 HydrophobicContact CG-CD2 4.49Å; L120-F167 WeakPolarHBondContact O-CE2 3.41Å; L120-L171 HydrophobicContact CD1-CD2 4.24Å; L120-L171 HydrophobicContact CD2-CD1 3.96Å; L120-L171 HydrophobicContact CD2-CD2 3.68Å; L120-F173 HydrophobicContact CD1-CZ 4.5Å; L120-Y203 HydrophobicContact CD1-CD1 4.23Å; L120-Y203 HydrophobicContact CD1-CD2 3.66Å; L120-Y203 HydrophobicContact CD1-CE1 4.2Å; L120-Y203 HydrophobicContact CD1-CE2 3.64Å; L120-Y203 HydrophobicContact CD1-CG 3.99Å |
| 121 | K | 95.8 | Very high | 95.6 | Very high | 158 Ų | 158 | 34.2 Ų | 34.2 | 69% | 0.687 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -61.1 | -48.3 | 176 | -177.8 | 179.3 | 178.8 | -178.9 | 0 | 111.9 | E117 T118 S124 A125 | E117-K121 WeakPolarHBondContact O-CB 3.4Å; E117-K121 PolarHBondContact O-N 2.97Å; T118-K121 PolarHBondContact O-N 3.49Å; K121-S124 PolarHBondContact O-N 3.06Å; K121-A125 WeakPolarHBondContact O-CB 3.31Å; K121-A125 PolarHBondContact O-N 3.21Å |
| 122 | S | 95.1 | Very high | 95.5 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 11% | 0.112 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 111.5 | S83 T118 R126 | S83-S122 VanDerWaalsContact C-OG 3.29Å; S83-S122 PolarHBondContact O-OG 2.99Å; S83-S122 VanDerWaalsContact O-OG 3.06Å; T118-S122 PolarHBondContact O-N 3.37Å; S122-R126 PolarHBondContact O-N 3.37Å |
| 123 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.6 | -46.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I86 M90 L100 L119 L120 R126 V127 F167 | I86-A123 HydrophobicContact CG2-CB 4.08Å; M90-A123 HydrophobicContact CE-CB 3.88Å; L100-A123 HydrophobicContact CD2-CB 3.95Å; L119-A123 VanDerWaalsContact O-CB 3.29Å; L119-A123 WeakPolarHBondContact O-CB 3.4Å; L119-A123 PolarHBondContact O-N 2.79Å; L120-A123 PolarHBondContact O-N 3.08Å; A123-R126 PolarHBondContact O-N 2.8Å; A123-V127 VanDerWaalsContact O-CG2 3.32Å; A123-V127 WeakPolarHBondContact O-CG2 3.47Å; A123-V127 PolarHBondContact O-N 3.19Å; A123-F167 HydrophobicContact CB-CE2 4.37Å; A123-F167 HydrophobicContact CB-CZ 3.61Å |
| 124 | S | 96.3 | Very high | 94.9 | Very high | 35 Ų | 35 | 42.9 Ų | 42.9 | 25% | 0.245 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.2 | -47.9 | 178.3 | -167.1 | 0 | 0 | 0 | 0 | 111.6 | L120 K121 R126 V127 D128 | L120-S124 VanDerWaalsContact O-CB 3.26Å; L120-S124 WeakPolarHBondContact O-CB 3.47Å; L120-S124 PolarHBondContact O-N 2.91Å; K121-S124 PolarHBondContact O-N 3.06Å; S124-R126 PolarHBondContact O-N 3.46Å; S124-V127 WeakPolarHBondContact O-CB 3.28Å; S124-V127 PolarHBondContact O-N 2.9Å; S124-D128 VanDerWaalsContact O-CG 3.31Å; S124-D128 PolarHBondContact O-N 3.31Å |
| 125 | A | 96.2 | Very high | 94.5 | Very high | 45 Ų | 45 | 46 Ų | 46 | 37% | 0.372 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57 | -37.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K121 Q129 | K121-A125 WeakPolarHBondContact O-CB 3.31Å; K121-A125 PolarHBondContact O-N 3.21Å; A125-Q129 VanDerWaalsContact O-CG 3.27Å; A125-Q129 WeakPolarHBondContact O-CG 3.45Å; A125-Q129 PolarHBondContact O-N 3.31Å; A125-Q129 VanDerWaalsContact O-N 3.09Å |
| 126 | R | 96.1 | Very high | 94.2 | Very high | 46 Ų | 46 | 53.2 Ų | 53.2 | 17% | 0.174 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.3 | -44.6 | 174.6 | 178.1 | 61.4 | 171.2 | 170.5 | -3.3 | 112.8 | G87 M90 S122 A123 S124 D128 Q129 I130 | G87-R126 PolarHBondContact O-NE 3.03Å; G87-R126 PolarHBondContact O-NH2 2.57Å; M90-R126 HydrophobicContact CB-CG 3.76Å; M90-R126 HydrophobicContact CG-CG 4.45Å; M90-R126 PolarHBondContact O-NE 3.12Å; M90-R126 PolarHBondContact O-NH2 3.2Å; M90-R126 HydrophobicContact SD-CB 4.14Å; M90-R126 HydrophobicContact SD-CG 4Å; S122-R126 PolarHBondContact O-N 3.37Å; A123-R126 PolarHBondContact O-N 2.8Å; S124-R126 PolarHBondContact O-N 3.46Å; R126-D128 VanDerWaalsContact C-N 3.26Å; R126-D128 PolarHBondContact O-N 3.35Å; R126-Q129 WeakPolarHBondContact O-CB 3.44Å; R126-Q129 PolarHBondContact O-N 2.99Å; R126-I130 HydrophobicContact CG-CD1 3.98Å; R126-I130 HydrophobicContact CG-CG1 4.49Å; R126-I130 WeakPolarHBondContact O-CG1 3.32Å; R126-I130 PolarHBondContact O-N 3.06Å |
| 127 | V | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.9 | -46.3 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 109.7 | M90 I95 A123 S124 Q129 I130 L131 F146 P168 L169 | M90-V127 HydrophobicContact SD-CG2 4.31Å; I95-V127 HydrophobicContact CD1-CG2 4.15Å; A123-V127 VanDerWaalsContact O-CG2 3.32Å; A123-V127 WeakPolarHBondContact O-CG2 3.47Å; A123-V127 PolarHBondContact O-N 3.19Å; S124-V127 WeakPolarHBondContact O-CB 3.28Å; S124-V127 PolarHBondContact O-N 2.9Å; V127-Q129 PolarHBondContact O-N 2.94Å; V127-I130 WeakPolarHBondContact O-CB 3.41Å; V127-I130 PolarHBondContact O-N 2.95Å; V127-I130 VanDerWaalsContact O-N 3.1Å; V127-L131 HydrophobicContact CG1-CD1 3.87Å; V127-L131 HydrophobicContact CG1-CG 4.23Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.47Å; V127-F146 HydrophobicContact CG1-CE1 4.35Å; V127-F146 HydrophobicContact CG1-CE2 4.44Å; V127-F146 HydrophobicContact CG1-CZ 3.76Å; V127-P168 HydrophobicContact CB-CG 4.3Å; V127-P168 HydrophobicContact CG1-CB 4.02Å; V127-P168 HydrophobicContact CG1-CG 4.1Å; V127-P168 HydrophobicContact CG2-CG 4.37Å; V127-L169 HydrophobicContact CG2-CD1 3.73Å; V127-L169 HydrophobicContact CG2-CD2 4.26Å; V127-L169 HydrophobicContact CG2-CG 3.84Å |
| 128 | D | 94.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 63.1 Ų | 63.1 | 41% | 0.406 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 178.3 | -63.7 | -30.3 | 0 | 0 | 0 | 111.7 | S124 R126 I130 L131 N132 | S124-D128 VanDerWaalsContact O-CG 3.31Å; S124-D128 PolarHBondContact O-N 3.31Å; R126-D128 VanDerWaalsContact C-N 3.26Å; R126-D128 PolarHBondContact O-N 3.35Å; D128-I130 VanDerWaalsContact C-N 3.32Å; D128-I130 PolarHBondContact O-N 3.36Å; D128-L131 PolarHBondContact O-N 3.29Å; D128-N132 VanDerWaalsContact O-CB 3.26Å; D128-N132 WeakPolarHBondContact O-CB 3.35Å; D128-N132 PolarHBondContact O-N 2.86Å; D128-N132 PolarHBondContact O-ND2 3.08Å |
| 129 | Q | 95 | Very high | 92.6 | Very high | 94 Ų | 94 | 64.4 Ų | 64.4 | 44% | 0.439 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.1 | -41.9 | 174.2 | -73.1 | 171.9 | 8.2 | 0 | 0 | 112.5 | A125 R126 V127 R133 | A125-Q129 VanDerWaalsContact O-CG 3.27Å; A125-Q129 WeakPolarHBondContact O-CG 3.45Å; A125-Q129 PolarHBondContact O-N 3.31Å; A125-Q129 VanDerWaalsContact O-N 3.09Å; R126-Q129 WeakPolarHBondContact O-CB 3.44Å; R126-Q129 PolarHBondContact O-N 2.99Å; V127-Q129 PolarHBondContact O-N 2.94Å; Q129-R133 WeakPolarHBondContact O-CB 3.45Å; Q129-R133 WeakPolarHBondContact O-CD 3.5Å; Q129-R133 WeakPolarHBondContact O-CG 3.37Å; Q129-R133 PolarHBondContact O-N 2.74Å |
| 130 | I | 93.2 | Very high | 92 | Very high | 1 Ų | 1 | 68.4 Ų | 68.4 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 178.3 | -69.5 | 167.4 | 0 | 0 | 0 | 109.9 | M90 P92 I95 R126 V127 D128 N132 R133 L134 | M90-I130 HydrophobicContact CB-CD1 3.88Å; M90-I130 WeakPolarHBondContact O-CD1 3.4Å; P92-I130 HydrophobicContact CB-CG2 4.33Å; P92-I130 HydrophobicContact CG-CG2 4.13Å; I95-I130 HydrophobicContact CD1-CD1 4.03Å; I95-I130 HydrophobicContact CG1-CG2 4.48Å; R126-I130 HydrophobicContact CG-CD1 3.98Å; R126-I130 HydrophobicContact CG-CG1 4.49Å; R126-I130 WeakPolarHBondContact O-CG1 3.32Å; R126-I130 PolarHBondContact O-N 3.06Å; V127-I130 WeakPolarHBondContact O-CB 3.41Å; V127-I130 PolarHBondContact O-N 2.95Å; V127-I130 VanDerWaalsContact O-N 3.1Å; D128-I130 VanDerWaalsContact C-N 3.32Å; D128-I130 PolarHBondContact O-N 3.36Å; I130-N132 PolarHBondContact O-N 2.99Å; I130-R133 PolarHBondContact O-N 3.36Å; I130-L134 HydrophobicContact CG2-CD1 4.04Å; I130-L134 WeakPolarHBondContact O-CG 3.19Å; I130-L134 PolarHBondContact O-N 3.39Å |
| 131 | L | 91.6 | Very high | 91.5 | Very high | 26 Ų | 26 | 77.2 Ų | 77.2 | 14% | 0.136 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.9 | -42.7 | -179.4 | -66.8 | 177.5 | 0 | 0 | 0 | 111.5 | V127 D128 R133 L134 H135 Q143 F146 | V127-L131 HydrophobicContact CG1-CD1 3.87Å; V127-L131 HydrophobicContact CG1-CG 4.23Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 3.47Å; D128-L131 PolarHBondContact O-N 3.29Å; L131-R133 PolarHBondContact O-N 3.05Å; L131-L134 WeakPolarHBondContact O-CB 3.47Å; L131-L134 PolarHBondContact O-N 2.9Å; L131-H135 PolarHBondContact O-N 3.4Å; L131-H135 PolarHBondContact O-ND1 2.69Å; L131-Q143 HydrophobicContact CD2-CG 4.47Å; L131-Q143 PolarHBondContact O-NE2 3.13Å; L131-Q143 VanDerWaalsContact O-NE2 3.14Å; L131-F146 HydrophobicContact CD1-CD1 4Å; L131-F146 HydrophobicContact CD1-CE1 3.77Å; L131-F146 HydrophobicContact CD1-CZ 4.39Å; L131-F146 HydrophobicContact CD2-CD1 4.09Å; L131-F146 HydrophobicContact CD2-CE1 4.49Å; L131-F146 HydrophobicContact CD2-CG 4.13Å |
| 132 | N | 92.4 | Very high | 91 | Very high | 92 Ų | 92 | 71.5 Ų | 71.5 | 49% | 0.492 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.2 | -72.1 | -20.7 | 0 | 0 | 0 | 112.1 | D128 I130 L134 H135 Q136 | D128-N132 VanDerWaalsContact O-CB 3.26Å; D128-N132 WeakPolarHBondContact O-CB 3.35Å; D128-N132 PolarHBondContact O-N 2.86Å; D128-N132 PolarHBondContact O-ND2 3.08Å; I130-N132 PolarHBondContact O-N 2.99Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 3.48Å; N132-H135 PolarHBondContact O-N 3.3Å; N132-Q136 WeakPolarHBondContact O-CG 3.46Å; N132-Q136 PolarHBondContact O-N 3.32Å |
| 133 | R | 91.3 | Very high | 90.5 | Very high | 135 Ų | 135 | 71.3 Ų | 71.3 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.5 | -36.7 | 174.8 | -74 | 170.6 | -176.2 | -173 | 0.8 | 112.3 | Q129 I130 L131 K137 | Q129-R133 WeakPolarHBondContact O-CB 3.45Å; Q129-R133 WeakPolarHBondContact O-CD 3.5Å; Q129-R133 WeakPolarHBondContact O-CG 3.37Å; Q129-R133 PolarHBondContact O-N 2.74Å; I130-R133 PolarHBondContact O-N 3.36Å; L131-R133 PolarHBondContact O-N 3.05Å; R133-K137 WeakPolarHBondContact O-CG 3.35Å; R133-K137 PolarHBondContact O-N 3.5Å |
| 134 | L | 89.3 | Confident | 90 | Very high | 7 Ų | 7 | 75.8 Ų | 75.8 | 4% | 0.037 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -37.4 | 174.3 | -70.8 | 172.9 | 0 | 0 | 0 | 111.3 | P92 I130 L131 N132 K137 N138 I139 I142 Q143 | P92-L134 HydrophobicContact CB-CD2 4.21Å; I130-L134 HydrophobicContact CG2-CD1 4.04Å; I130-L134 WeakPolarHBondContact O-CG 3.19Å; I130-L134 PolarHBondContact O-N 3.39Å; L131-L134 WeakPolarHBondContact O-CB 3.47Å; L131-L134 PolarHBondContact O-N 2.9Å; N132-L134 VanDerWaalsContact C-N 3.32Å; N132-L134 PolarHBondContact O-N 3.48Å; L134-K137 PolarHBondContact O-N 2.99Å; L134-N138 PolarHBondContact O-N 3Å; L134-I139 HydrophobicContact CD2-CB 4.11Å; L134-I139 HydrophobicContact CD2-CD1 3.88Å; L134-I139 HydrophobicContact CD2-CG2 4.22Å; L134-I139 PolarHBondContact O-N 3.37Å; L134-I142 HydrophobicContact CD1-CB 4.15Å; L134-I142 HydrophobicContact CD1-CD1 4.46Å; L134-I142 HydrophobicContact CD1-CG2 3.7Å; L134-I142 HydrophobicContact CD2-CD1 4.24Å; L134-Q143 HydrophobicContact CB-CG 4.48Å |
| 135 | H | 87.1 | Confident | 89.7 | Confident | 99 Ų | 99 | 76.6 Ų | 76.6 | 46% | 0.458 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -46.6 | 179.1 | -76.3 | 115.3 | 0 | 0 | 0 | 109.7 | L131 N132 K137 N138 Q143 | L131-H135 PolarHBondContact O-N 3.4Å; L131-H135 PolarHBondContact O-ND1 2.69Å; N132-H135 PolarHBondContact O-N 3.3Å; H135-K137 PolarHBondContact O-N 3.39Å; H135-N138 PolarHBondContact O-N 2.87Å; H135-Q143 PolarHBondContact CD2-NE2 3.27Å; H135-Q143 PolarHBondContact CD2-OE1 3.44Å; H135-Q143 PolarHBondContact CE1-NE2 3.01Å; H135-Q143 PolarHBondContact ND1-NE2 3.3Å; H135-Q143 PolarHBondContact NE2-NE2 3.28Å; H135-Q143 PolarHBondContact NE2-OE1 3.25Å |
| 136 | Q | 89.9 | Confident | 89.4 | Confident | 157 Ų | 157 | 75.3 Ų | 75.3 | 73% | 0.734 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.8 | -29.1 | 177.1 | -71.7 | 171.9 | -7.8 | 0 | 0 | 113.3 | N132 N138 | N132-Q136 WeakPolarHBondContact O-CG 3.46Å; N132-Q136 PolarHBondContact O-N 3.32Å; Q136-N138 VanDerWaalsContact C-N 3.32Å |
| 137 | K | 88.9 | Confident | 89 | Confident | 153 Ų | 153 | 75.3 Ų | 75.3 | 67% | 0.665 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | 6 | 176.2 | -68.7 | -175.5 | 177.7 | -170.3 | 0 | 113.5 | R133 L134 H135 I139 | R133-K137 WeakPolarHBondContact O-CG 3.35Å; R133-K137 PolarHBondContact O-N 3.5Å; L134-K137 PolarHBondContact O-N 2.99Å; H135-K137 PolarHBondContact O-N 3.39Å; K137-I139 HydrophobicContact CB-CD1 4Å; K137-I139 HydrophobicContact CB-CG1 3.98Å; K137-I139 HydrophobicContact CD-CD1 4.47Å; K137-I139 PolarHBondContact O-N 3.2Å |
| 138 | N | 82.2 | Confident | 88.7 | Confident | 138 Ų | 138 | 80.6 Ų | 80.6 | 74% | 0.738 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.8 | 30.6 | -175.8 | -62.5 | -44.7 | 0 | 0 | 0 | 114 | L134 H135 Q136 T140 | L134-N138 PolarHBondContact O-N 3Å; H135-N138 PolarHBondContact O-N 2.87Å; Q136-N138 VanDerWaalsContact C-N 3.32Å; N138-T140 PolarHBondContact O-N 2.86Å |
| 139 | I | 83.6 | Confident | 88.4 | Confident | 66 Ų | 66 | 81.5 Ų | 81.5 | 34% | 0.338 | 39% | 0.388 | S | S | . | . | trans | -89.3 | 82.5 | 177.4 | -56.1 | 176 | 0 | 0 | 0 | 109 | L134 K137 I142 Q143 | L134-I139 HydrophobicContact CD2-CB 4.11Å; L134-I139 HydrophobicContact CD2-CD1 3.88Å; L134-I139 HydrophobicContact CD2-CG2 4.22Å; L134-I139 PolarHBondContact O-N 3.37Å; K137-I139 HydrophobicContact CB-CD1 4Å; K137-I139 HydrophobicContact CB-CG1 3.98Å; K137-I139 HydrophobicContact CD-CD1 4.47Å; K137-I139 PolarHBondContact O-N 3.2Å; I139-I142 HydrophobicContact CG2-CB 4.43Å; I139-I142 HydrophobicContact CG2-CD1 4.02Å; I139-I142 HydrophobicContact CG2-CG1 4.1Å; I139-Q143 PolarHBondContact O-OE1 2.96Å | ||
| 140 | T | 84.9 | Confident | 87.9 | Confident | 84 Ų | 84 | 78.5 Ų | 78.5 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -76.8 | -30.2 | -176.3 | 55.8 | 0 | 0 | 0 | 0 | 113.6 | N138 I142 Q143 N144 | N138-T140 PolarHBondContact O-N 2.86Å; T140-I142 PolarHBondContact O-N 3.31Å; T140-Q143 WeakPolarHBondContact O-CB 3.33Å; T140-Q143 PolarHBondContact O-N 3.12Å; T140-Q143 VanDerWaalsContact O-N 3.13Å; T140-N144 VanDerWaalsContact O-CG 3.29Å; T140-N144 PolarHBondContact O-N 3.14Å; T140-N144 PolarHBondContact O-OD1 2.93Å |
| 141 | R | 86.9 | Confident | 87.5 | Confident | 193 Ų | 193 | 87.2 Ų | 87.2 | 73% | 0.728 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56.4 | -48.5 | -176.4 | -178.5 | 178.5 | 175.4 | -178.7 | -0.3 | 112.6 | Q143 I145 | R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.49Å; R141-I145 HydrophobicContact CG-CD1 3.94Å; R141-I145 WeakPolarHBondContact O-CD1 3.4Å; R141-I145 VanDerWaalsContact O-CG1 3.26Å; R141-I145 WeakPolarHBondContact O-CG1 3.27Å; R141-I145 PolarHBondContact O-N 2.88Å; R141-I145 VanDerWaalsContact O-N 3.17Å |
| 142 | I | 84.1 | Confident | 87.4 | Confident | 39 Ų | 39 | 92.3 Ų | 92.3 | 20% | 0.2 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | -179.2 | -63.2 | 177.4 | 0 | 0 | 0 | 110.1 | I95 L96 L134 I139 T140 F146 | I95-I142 HydrophobicContact CG2-CG2 4.04Å; L96-I142 HydrophobicContact CD1-CG2 4.27Å; L96-I142 HydrophobicContact CD2-CG2 4.14Å; L96-I142 HydrophobicContact CG-CG2 4.18Å; L134-I142 HydrophobicContact CD1-CB 4.15Å; L134-I142 HydrophobicContact CD1-CD1 4.46Å; L134-I142 HydrophobicContact CD1-CG2 3.7Å; L134-I142 HydrophobicContact CD2-CD1 4.24Å; I139-I142 HydrophobicContact CG2-CB 4.43Å; I139-I142 HydrophobicContact CG2-CD1 4.02Å; I139-I142 HydrophobicContact CG2-CG1 4.1Å; T140-I142 PolarHBondContact O-N 3.31Å; I142-F146 WeakPolarHBondContact O-CB 3.49Å; I142-F146 PolarHBondContact O-N 3.28Å |
| 143 | Q | 84.2 | Confident | 87.2 | Confident | 11 Ų | 11 | 90.3 Ų | 90.3 | 5% | 0.051 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -65.8 | -45.4 | 179.8 | -71.2 | 159.6 | -12.2 | 0 | 0 | 112.3 | L131 L134 H135 I139 T140 R141 I145 F146 S147 | L131-Q143 HydrophobicContact CD2-CG 4.47Å; L131-Q143 PolarHBondContact O-NE2 3.13Å; L131-Q143 VanDerWaalsContact O-NE2 3.14Å; L134-Q143 HydrophobicContact CB-CG 4.48Å; H135-Q143 PolarHBondContact CD2-NE2 3.27Å; H135-Q143 PolarHBondContact CD2-OE1 3.44Å; H135-Q143 PolarHBondContact CE1-NE2 3.01Å; H135-Q143 PolarHBondContact ND1-NE2 3.3Å; H135-Q143 PolarHBondContact NE2-NE2 3.28Å; H135-Q143 PolarHBondContact NE2-OE1 3.25Å; I139-Q143 PolarHBondContact O-OE1 2.96Å; T140-Q143 WeakPolarHBondContact O-CB 3.33Å; T140-Q143 PolarHBondContact O-N 3.12Å; T140-Q143 VanDerWaalsContact O-N 3.13Å; R141-Q143 VanDerWaalsContact C-N 3.3Å; R141-Q143 PolarHBondContact O-N 3.49Å; Q143-I145 PolarHBondContact O-N 3.2Å; Q143-F146 WeakPolarHBondContact O-CB 3.28Å; Q143-F146 PolarHBondContact O-N 2.89Å; Q143-S147 WeakPolarHBondContact O-CB 3.44Å; Q143-S147 PolarHBondContact O-N 2.82Å; Q143-S147 PolarHBondContact O-OG 2.9Å; Q143-S147 VanDerWaalsContact O-OG 3.12Å |
| 144 | N | 88.1 | Confident | 87 | Confident | 94 Ų | 94 | 84.7 Ų | 84.7 | 50% | 0.503 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -60.5 | -49 | 178.1 | -67 | -10.6 | 0 | 0 | 0 | 110.6 | T140 F146 S147 E148 | T140-N144 VanDerWaalsContact O-CG 3.29Å; T140-N144 PolarHBondContact O-N 3.14Å; T140-N144 PolarHBondContact O-OD1 2.93Å; N144-F146 VanDerWaalsContact C-N 3.29Å; N144-F146 PolarHBondContact O-N 3.2Å; N144-S147 PolarHBondContact O-N 3.31Å; N144-E148 WeakPolarHBondContact O-CB 3.49Å; N144-E148 WeakPolarHBondContact O-CG 3.39Å; N144-E148 PolarHBondContact O-N 3.27Å |
| 145 | I | 89.1 | Confident | 87 | Confident | 53 Ų | 53 | 87.4 Ų | 87.4 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 177.2 | -61.8 | 166.8 | 0 | 0 | 0 | 110.7 | L96 R141 Q143 K149 | L96-I145 HydrophobicContact CD1-CB 4.37Å; L96-I145 HydrophobicContact CD1-CD1 4.47Å; L96-I145 HydrophobicContact CD1-CG2 4.04Å; L96-I145 HydrophobicContact CD2-CB 4.25Å; L96-I145 HydrophobicContact CD2-CG2 3.96Å; R141-I145 HydrophobicContact CG-CD1 3.94Å; R141-I145 WeakPolarHBondContact O-CD1 3.4Å; R141-I145 VanDerWaalsContact O-CG1 3.26Å; R141-I145 WeakPolarHBondContact O-CG1 3.27Å; R141-I145 PolarHBondContact O-N 2.88Å; R141-I145 VanDerWaalsContact O-N 3.17Å; Q143-I145 PolarHBondContact O-N 3.2Å; I145-K149 HydrophobicContact CG2-CD 4.45Å; I145-K149 HydrophobicContact CG2-CG 4.37Å; I145-K149 WeakPolarHBondContact O-CB 3.49Å; I145-K149 WeakPolarHBondContact O-CG 3.46Å; I145-K149 PolarHBondContact O-N 3.19Å |
| 146 | F | 89.8 | Confident | 86.9 | Confident | 17 Ų | 17 | 88 Ų | 88 | 8% | 0.075 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -63.1 | -48.6 | 178.1 | -173.1 | -89.4 | 0 | 0 | 0 | 111.7 | I95 L96 V127 L131 I142 Q143 N144 K149 S150 P168 L169 | I95-F146 HydrophobicContact CG1-CD2 4.23Å; I95-F146 HydrophobicContact CG1-CE2 3.89Å; L96-F146 HydrophobicContact CD2-CB 3.92Å; L96-F146 HydrophobicContact CD2-CD2 4.17Å; V127-F146 HydrophobicContact CG1-CE1 4.35Å; V127-F146 HydrophobicContact CG1-CE2 4.44Å; V127-F146 HydrophobicContact CG1-CZ 3.76Å; L131-F146 HydrophobicContact CD1-CD1 4Å; L131-F146 HydrophobicContact CD1-CE1 3.77Å; L131-F146 HydrophobicContact CD1-CZ 4.39Å; L131-F146 HydrophobicContact CD2-CD1 4.09Å; L131-F146 HydrophobicContact CD2-CE1 4.49Å; L131-F146 HydrophobicContact CD2-CG 4.13Å; I142-F146 WeakPolarHBondContact O-CB 3.49Å; I142-F146 PolarHBondContact O-N 3.28Å; Q143-F146 WeakPolarHBondContact O-CB 3.28Å; Q143-F146 PolarHBondContact O-N 2.89Å; N144-F146 VanDerWaalsContact C-N 3.29Å; N144-F146 PolarHBondContact O-N 3.2Å; F146-K149 PolarHBondContact O-N 2.96Å; F146-S150 WeakPolarHBondContact O-CB 3.35Å; F146-S150 PolarHBondContact O-N 3.27Å; F146-P168 HydrophobicContact CE1-CB 4.14Å; F146-P168 HydrophobicContact CZ-CB 3.93Å; F146-P168 VanDerWaalsContact CZ-O 3.28Å; F146-P168 WeakPolarHBondContact CZ-O 3.36Å; F146-L169 HydrophobicContact CE2-CD2 3.71Å; F146-L169 HydrophobicContact CZ-CD2 4.09Å |
| 147 | S | 87.1 | Confident | 87 | Confident | 47 Ų | 47 | 86.2 Ų | 86.2 | 33% | 0.329 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 178.1 | -62.9 | 0 | 0 | 0 | 0 | 112.2 | Q143 N144 S150 R151 | Q143-S147 WeakPolarHBondContact O-CB 3.44Å; Q143-S147 PolarHBondContact O-N 2.82Å; Q143-S147 PolarHBondContact O-OG 2.9Å; Q143-S147 VanDerWaalsContact O-OG 3.12Å; N144-S147 PolarHBondContact O-N 3.31Å; S147-S150 PolarHBondContact O-N 3.05Å; S147-R151 WeakPolarHBondContact O-CB 3.19Å; S147-R151 WeakPolarHBondContact O-CG 3.35Å; S147-R151 PolarHBondContact O-N 2.89Å |
| 148 | E | 89 | Confident | 87.1 | Confident | 110 Ų | 110 | 80 Ų | 80 | 51% | 0.514 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63 | -50 | 173.8 | -76 | 175 | -176.2 | 0 | 0 | 111.5 | N144 S150 R151 N152 | N144-E148 WeakPolarHBondContact O-CB 3.49Å; N144-E148 WeakPolarHBondContact O-CG 3.39Å; N144-E148 PolarHBondContact O-N 3.27Å; E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.34Å; E148-R151 PolarHBondContact O-N 3.47Å; E148-N152 WeakPolarHBondContact O-CB 3.49Å; E148-N152 PolarHBondContact O-N 2.98Å; E148-N152 PolarHBondContact O-ND2 3.25Å |
| 149 | K | 88.3 | Confident | 87.7 | Confident | 95 Ų | 95 | 78.7 Ų | 78.7 | 41% | 0.413 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -57.2 | -42.8 | 176.2 | -79.8 | -166.7 | 178.3 | -165.4 | 0 | 111.4 | L96 N97 I145 F146 N152 R153 | L96-K149 PolarHBondContact O-NZ 3.46Å; N97-K149 PolarHBondContact OD1-NZ 3.47Å; I145-K149 HydrophobicContact CG2-CD 4.45Å; I145-K149 HydrophobicContact CG2-CG 4.37Å; I145-K149 WeakPolarHBondContact O-CB 3.49Å; I145-K149 WeakPolarHBondContact O-CG 3.46Å; I145-K149 PolarHBondContact O-N 3.19Å; F146-K149 PolarHBondContact O-N 2.96Å; K149-N152 PolarHBondContact O-N 2.95Å; K149-R153 WeakPolarHBondContact O-CG 3.42Å; K149-R153 PolarHBondContact O-N 3.35Å |
| 150 | S | 84.8 | Confident | 88.2 | Confident | 31 Ų | 31 | 76.3 Ų | 76.3 | 22% | 0.217 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -62.4 | -46.9 | 178.7 | -166.3 | 0 | 0 | 0 | 0 | 112 | F146 S147 E148 R153 | F146-S150 WeakPolarHBondContact O-CB 3.35Å; F146-S150 PolarHBondContact O-N 3.27Å; S147-S150 PolarHBondContact O-N 3.05Å; E148-S150 VanDerWaalsContact C-N 3.27Å; E148-S150 PolarHBondContact O-N 3.34Å; S150-R153 PolarHBondContact O-N 2.68Å; S150-R153 PolarHBondContact OG-NH2 3.1Å |
| 151 | R | 84.8 | Confident | 88.4 | Confident | 184 Ų | 184 | 75.2 Ų | 75.2 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.3 | -38.3 | 177.9 | -73.5 | 177.8 | -176.7 | 120 | 1 | 112.7 | S147 E148 R153 | S147-R151 WeakPolarHBondContact O-CB 3.19Å; S147-R151 WeakPolarHBondContact O-CG 3.35Å; S147-R151 PolarHBondContact O-N 2.89Å; E148-R151 PolarHBondContact O-N 3.47Å; R151-R153 VanDerWaalsContact C-N 3.26Å; R151-R153 PolarHBondContact O-N 3.39Å |
| 152 | N | 89.1 | Confident | 88.6 | Confident | 133 Ų | 133 | 75.3 Ų | 75.3 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -77.6 | -6.7 | -176.1 | -66.5 | -15.7 | 0 | 0 | 0 | 113.8 | E148 K149 I154 | E148-N152 WeakPolarHBondContact O-CB 3.49Å; E148-N152 PolarHBondContact O-N 2.98Å; E148-N152 PolarHBondContact O-ND2 3.25Å; K149-N152 PolarHBondContact O-N 2.95Å; N152-I154 VanDerWaalsContact C-N 3.31Å |
| 153 | R | 88.5 | Confident | 88.9 | Confident | 50 Ų | 50 | 78.2 Ų | 78.2 | 19% | 0.189 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -30.6 | 177.4 | -76.9 | -164.3 | -62.3 | -97.2 | -7.8 | 113 | K149 S150 R151 F167 P168 | K149-R153 WeakPolarHBondContact O-CG 3.42Å; K149-R153 PolarHBondContact O-N 3.35Å; S150-R153 PolarHBondContact O-N 2.68Å; S150-R153 PolarHBondContact OG-NH2 3.1Å; R151-R153 VanDerWaalsContact C-N 3.26Å; R151-R153 PolarHBondContact O-N 3.39Å; R153-F167 PolarHBondContact NH2-O 2.98Å; R153-P168 PolarHBondContact NH1-O 2.9Å; R153-P168 PolarHBondContact NH2-O 3.32Å; R153-P168 VanDerWaalsContact NH2-O 3.15Å |
| 154 | I | 87.8 | Confident | 89.3 | Confident | 18 Ų | 18 | 78.6 Ų | 78.6 | 9% | 0.092 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -125.2 | 135.2 | -179.9 | -60.3 | 157.3 | 0 | 0 | 0 | 106.9 | N152 S156 H158 L164 P166 V250 | N152-I154 VanDerWaalsContact C-N 3.31Å; I154-S156 PolarHBondContact O-N 3Å; I154-H158 HydrophobicContact CG2-CB 3.86Å; I154-L164 HydrophobicContact CD1-CD1 3.84Å; I154-L164 HydrophobicContact CG2-CD1 4.04Å; I154-P166 HydrophobicContact CD1-CB 4.04Å; I154-P166 HydrophobicContact CD1-CG 3.64Å; I154-V250 HydrophobicContact CG1-CG1 4.02Å |
| 155 | S | 88.3 | Confident | 89.6 | Confident | 64 Ų | 64 | 78.3 Ų | 78.3 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | trans | -58.5 | 135.3 | 177 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | T157 H158 | S155-T157 PolarHBondContact O-N 3.23Å; S155-T157 VanDerWaalsContact O-N 3.11Å; S155-T157 PolarHBondContact OG-N 2.86Å; S155-T157 PolarHBondContact OG-OG1 3.33Å; S155-H158 WeakPolarHBondContact O-CB 3.41Å; S155-H158 PolarHBondContact O-N 2.83Å | ||
| 156 | S | 86.8 | Confident | 89.9 | Confident | 112 Ų | 112 | 78.1 Ų | 78.1 | 78% | 0.783 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.1 | 172.3 | 58.9 | 0 | 0 | 0 | 0 | 113.1 | I154 H158 | I154-S156 PolarHBondContact O-N 3Å; S156-H158 VanDerWaalsContact C-N 3.34Å |
| 157 | T | 90.6 | Very high | 90.2 | Very high | 119 Ų | 119 | 77.7 Ų | 77.7 | 73% | 0.73 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | 4.4 | 176 | 68 | 0 | 0 | 0 | 0 | 112.9 | S155 | S155-T157 PolarHBondContact O-N 3.23Å; S155-T157 VanDerWaalsContact O-N 3.11Å; S155-T157 PolarHBondContact OG-N 2.86Å; S155-T157 PolarHBondContact OG-OG1 3.33Å |
| 158 | H | 92.4 | Very high | 90.5 | Very high | 23 Ų | 23 | 76.6 Ų | 76.6 | 11% | 0.106 | 41% | 0.409 | C | S | . | . | trans | -66.7 | 133.4 | -178.8 | -169.5 | -80.2 | 0 | 0 | 0 | 109.8 | I154 S155 S156 D160 T161 H201 D253 | I154-H158 HydrophobicContact CG2-CB 3.86Å; S155-H158 WeakPolarHBondContact O-CB 3.41Å; S155-H158 PolarHBondContact O-N 2.83Å; S156-H158 VanDerWaalsContact C-N 3.34Å; H158-D160 IonicContact CE1-OD2 3.95Å; H158-D160 PolarHBondContact CE1-OD2 3.44Å; H158-D160 PolarHBondContact ND1-N 3.02Å; H158-D160 VanDerWaalsContact ND1-N 3.15Å; H158-D160 PolarHBondContact O-N 2.94Å; H158-D160 VanDerWaalsContact O-N 3.14Å; H158-T161 WeakPolarHBondContact O-CB 3.49Å; H158-T161 PolarHBondContact O-N 3.21Å; H158-T161 VanDerWaalsContact O-N 3.15Å; H158-T161 PolarHBondContact O-OG1 2.93Å; H158-H201 AromaticContact CE1-CE1 3.32Å; H158-H201 PolarHBondContact CE1-CE1 3.46Å; H158-H201 AromaticContact CE1-NE2 3.58Å; H158-H201 AromaticContact NE2-CE1 3.67Å; H158-D253 PolarHBondContact NE2-O 3.42Å; H158-D253 VanDerWaalsContact NE2-O 3.09Å | ||
| 159 | P | 93.3 | Very high | 90.8 | Very high | 109 Ų | 109 | 71.5 Ų | 71.5 | 71% | 0.708 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -31.1 | -174.3 | 22.4 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 160 | D | 93.6 | Very high | 91.2 | Very high | 16 Ų | 16 | 69 Ų | 69 | 9% | 0.086 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 5 | -176.2 | -58.7 | -36.2 | 0 | 0 | 0 | 114.4 | H158 E162 L163 L164 H201 S254 F255 | H158-D160 IonicContact CE1-OD2 3.95Å; H158-D160 PolarHBondContact CE1-OD2 3.44Å; H158-D160 PolarHBondContact ND1-N 3.02Å; H158-D160 VanDerWaalsContact ND1-N 3.15Å; H158-D160 PolarHBondContact O-N 2.94Å; H158-D160 VanDerWaalsContact O-N 3.14Å; D160-E162 PolarHBondContact O-N 3.29Å; D160-L163 PolarHBondContact O-N 3.42Å; D160-L164 HydrophobicContact CB-CD2 4.3Å; D160-L164 HydrophobicContact CB-CG 4.26Å; D160-L164 WeakPolarHBondContact O-CG 3.47Å; D160-L164 PolarHBondContact O-N 3.04Å; D160-H201 IonicContact OD2-CD2 3.63Å; D160-H201 IonicContact OD2-CE1 2.69Å; D160-H201 IonicContact OD2-NE2 3.49Å; D160-H201 PolarHBondContact OD2-NE2 3.16Å; D160-S254 WeakPolarHBondContact OD2-CA 3.31Å; D160-S254 WeakPolarHBondContact OD2-CB 3.32Å; D160-F255 HydrophobicContact CB-CD2 3.6Å; D160-F255 HydrophobicContact CB-CE2 3.79Å; D160-F255 PolarHBondContact OD2-N 2.96Å |
| 161 | T | 90.8 | Very high | 91.8 | Very high | 62 Ų | 62 | 67.6 Ų | 67.6 | 38% | 0.38 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.5 | -38.8 | -168.9 | -61.6 | 0 | 0 | 0 | 0 | 114.2 | H158 | H158-T161 WeakPolarHBondContact O-CB 3.49Å; H158-T161 PolarHBondContact O-N 3.21Å; H158-T161 VanDerWaalsContact O-N 3.15Å; H158-T161 PolarHBondContact O-OG1 2.93Å |
| 162 | E | 89.6 | Confident | 92.5 | Very high | 194 Ų | 194 | 59 Ų | 59 | 91% | 0.907 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -22.2 | -178.8 | -60.6 | -176.4 | 170.4 | 0 | 0 | 114.3 | D160 | D160-E162 PolarHBondContact O-N 3.29Š|
| 163 | L | 91.2 | Very high | 92.9 | Very high | 100 Ų | 100 | 52.8 Ų | 52.8 | 52% | 0.524 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -11.5 | -177.2 | -65.7 | 176.5 | 0 | 0 | 0 | 112.9 | D160 F255 | D160-L163 PolarHBondContact O-N 3.42Å; L163-F255 HydrophobicContact CB-CD2 4.07Å; L163-F255 HydrophobicContact CB-CE2 3.55Å; L163-F255 HydrophobicContact CD1-CD2 4.02Å; L163-F255 HydrophobicContact CD1-CE2 4.34Å |
| 164 | L | 93.3 | Very high | 93.4 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 11% | 0.105 | 30% | 0.295 | C | S | . | . | trans | -77.2 | 148.8 | 178 | -61.1 | -179.7 | 0 | 0 | 0 | 110.8 | I154 D160 P166 H201 F255 | I154-L164 HydrophobicContact CD1-CD1 3.84Å; I154-L164 HydrophobicContact CG2-CD1 4.04Å; D160-L164 HydrophobicContact CB-CD2 4.3Å; D160-L164 HydrophobicContact CB-CG 4.26Å; D160-L164 WeakPolarHBondContact O-CG 3.47Å; D160-L164 PolarHBondContact O-N 3.04Å; L164-P166 HydrophobicContact CB-CG 4.16Å; L164-H201 VanDerWaalsContact CD2-O 3.31Å; L164-H201 WeakPolarHBondContact CD2-O 3.35Å; L164-F255 HydrophobicContact CD2-CE2 3.8Å; L164-F255 HydrophobicContact CD2-CZ 3.71Å | ||
| 165 | N | 94.4 | Very high | 93.9 | Very high | 88 Ų | 88 | 49.9 Ų | 49.9 | 47% | 0.471 | 29% | 0.292 | S | S | . | . | trans | -126 | 74.5 | 165.8 | -176.1 | 31.9 | 0 | 0 | 0 | 109.2 | F167 Y202 Y203 | N165-F167 PolarHBondContact O-N 2.99Å; N165-Y202 CarbonylContact C-O 3.54Å; N165-Y202 VanDerWaalsContact C-O 3.25Å; N165-Y202 HydrophobicContact CB-CD1 4.41Å; N165-Y202 HydrophobicContact CB-CE1 3.72Å; N165-Y202 HydrophobicContact CB-CE2 4.1Å; N165-Y202 PolarHBondContact N-O 3.37Å; N165-Y203 WeakPolarHBondContact O-CD1 3.35Å | ||
| 166 | P | 95 | Very high | 94.4 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 32% | 0.318 | 27% | 0.273 | S | S | . | . | trans | -58.4 | 130.6 | -171.9 | -23.9 | 35.2 | 0 | 0 | 0 | 111.8 | I154 L164 Y203 | I154-P166 HydrophobicContact CD1-CB 4.04Å; I154-P166 HydrophobicContact CD1-CG 3.64Å; L164-P166 HydrophobicContact CB-CG 4.16Å; P166-Y203 WeakPolarHBondContact CA-O 3.48Å | ||
| 167 | F | 96.5 | Very high | 94.9 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -60 | 138.6 | 173.1 | -172.1 | -107.5 | 0 | 0 | 0 | 109.1 | L100 L120 A123 R153 N165 L169 L171 Y203 | L100-F167 HydrophobicContact CD2-CE1 3.78Å; L100-F167 HydrophobicContact CD2-CZ 3.99Å; L120-F167 HydrophobicContact CB-CD2 4.31Å; L120-F167 HydrophobicContact CB-CE2 4.07Å; L120-F167 HydrophobicContact CD2-CD2 3.87Å; L120-F167 HydrophobicContact CD2-CE1 4.5Å; L120-F167 HydrophobicContact CD2-CE2 3.86Å; L120-F167 HydrophobicContact CD2-CG 4.27Å; L120-F167 HydrophobicContact CD2-CZ 4.21Å; L120-F167 HydrophobicContact CG-CD2 4.49Å; L120-F167 WeakPolarHBondContact O-CE2 3.41Å; A123-F167 HydrophobicContact CB-CE2 4.37Å; A123-F167 HydrophobicContact CB-CZ 3.61Å; R153-F167 PolarHBondContact NH2-O 2.98Å; N165-F167 PolarHBondContact O-N 2.99Å; F167-L169 VanDerWaalsContact C-N 3.25Å; F167-L169 HydrophobicContact CD1-CB 4.02Å; F167-L169 WeakPolarHBondContact CD1-O 3.49Å; F167-L169 HydrophobicContact CE1-CB 3.79Å; F167-L169 HydrophobicContact CE1-CD1 4.3Å; F167-L169 HydrophobicContact CE1-CG 4.2Å; F167-L169 PolarHBondContact O-N 2.93Å; F167-L171 HydrophobicContact CB-CB 4.38Å; F167-L171 HydrophobicContact CB-CD2 3.82Å; F167-L171 HydrophobicContact CD1-CB 4.12Å; F167-L171 HydrophobicContact CD1-CD2 4.21Å; F167-L171 HydrophobicContact CG-CD2 4Å; F167-Y203 PolarHBondContact N-O 2.92Å | ||
| 168 | P | 93.6 | Very high | 95.2 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 16% | 0.162 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -64.4 | -25.6 | -170.1 | 23.7 | -36.5 | 0 | 0 | 0 | 114.2 | V127 F146 R153 | V127-P168 HydrophobicContact CB-CG 4.3Å; V127-P168 HydrophobicContact CG1-CB 4.02Å; V127-P168 HydrophobicContact CG1-CG 4.1Å; V127-P168 HydrophobicContact CG2-CG 4.37Å; F146-P168 HydrophobicContact CE1-CB 4.14Å; F146-P168 HydrophobicContact CZ-CB 3.93Å; F146-P168 VanDerWaalsContact CZ-O 3.28Å; F146-P168 WeakPolarHBondContact CZ-O 3.36Å; R153-P168 PolarHBondContact NH1-O 2.9Å; R153-P168 PolarHBondContact NH2-O 3.32Å; R153-P168 VanDerWaalsContact NH2-O 3.15Å |
| 169 | L | 94.8 | Very high | 95.4 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -100.8 | 157.3 | 173.9 | -57.9 | 174 | 0 | 0 | 0 | 111.8 | M90 I95 L98 V127 F146 F167 L171 | M90-L169 HydrophobicContact CE-CD1 3.67Å; M90-L169 HydrophobicContact SD-CD1 4.26Å; I95-L169 HydrophobicContact CD1-CD2 3.9Å; I95-L169 HydrophobicContact CG1-CD2 4.3Å; L98-L169 HydrophobicContact CB-CD1 4.46Å; L98-L169 HydrophobicContact CB-CD2 4.42Å; V127-L169 HydrophobicContact CG2-CD1 3.73Å; V127-L169 HydrophobicContact CG2-CD2 4.26Å; V127-L169 HydrophobicContact CG2-CG 3.84Å; F146-L169 HydrophobicContact CE2-CD2 3.71Å; F146-L169 HydrophobicContact CZ-CD2 4.09Å; F167-L169 VanDerWaalsContact C-N 3.25Å; F167-L169 HydrophobicContact CD1-CB 4.02Å; F167-L169 WeakPolarHBondContact CD1-O 3.49Å; F167-L169 HydrophobicContact CE1-CB 3.79Å; F167-L169 HydrophobicContact CE1-CD1 4.3Å; F167-L169 HydrophobicContact CE1-CG 4.2Å; F167-L169 PolarHBondContact O-N 2.93Å; L169-L171 PolarHBondContact O-N 3.31Å |
| 170 | P | 96.4 | Very high | 95.5 | Very high | 42 Ų | 42 | 37.3 Ų | 37.3 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -49.3 | 127.4 | 161.7 | -25.6 | 34.7 | 0 | 0 | 0 | 111.3 | L98 H99 L100 | L98-P170 WeakPolarHBondContact O-CD 3.15Å; H99-P170 HydrophobicContact CB-CB 4.4Å; H99-P170 VanDerWaalsContact ND1-CB 3.27Å; H99-P170 WeakPolarHBondContact ND1-CB 3.46Å; L100-P170 PolarHBondContact N-O 2.78Å | ||
| 171 | L | 98.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.7 | -173.5 | 178.4 | 60.1 | 0 | 0 | 0 | 110.5 | L100 L102 L120 F167 L169 F173 A205 S206 | L100-L171 HydrophobicContact CB-CD1 4.09Å; L100-L171 HydrophobicContact CD2-CD1 4.04Å; L100-L171 HydrophobicContact CG-CD1 3.96Å; L100-L171 CarbonylContact O-C 3.45Å; L100-L171 WeakPolarHBondContact O-CA 3.02Å; L102-L171 HydrophobicContact CB-CD1 4.27Å; L120-L171 HydrophobicContact CD1-CD2 4.24Å; L120-L171 HydrophobicContact CD2-CD1 3.96Å; L120-L171 HydrophobicContact CD2-CD2 3.68Å; F167-L171 HydrophobicContact CB-CB 4.38Å; F167-L171 HydrophobicContact CB-CD2 3.82Å; F167-L171 HydrophobicContact CD1-CB 4.12Å; F167-L171 HydrophobicContact CD1-CD2 4.21Å; F167-L171 HydrophobicContact CG-CD2 4Å; L169-L171 PolarHBondContact O-N 3.31Å; L171-F173 HydrophobicContact CD2-CD2 4.43Å; L171-F173 HydrophobicContact CD2-CE2 3.69Å; L171-F173 HydrophobicContact CD2-CZ 4.43Å; L171-F173 HydrophobicContact CG-CD2 4.32Å; L171-F173 HydrophobicContact CG-CE2 4.06Å; L171-A205 HydrophobicContact CB-CB 3.74Å; L171-A205 HydrophobicContact CD2-CB 3.82Å; L171-A205 HydrophobicContact CG-CB 3.57Å; L171-A205 VanDerWaalsContact O-CA 3.25Å; L171-A205 WeakPolarHBondContact O-CA 3.46Å; L171-A205 VanDerWaalsContact O-CB 3.28Å; L171-A205 WeakPolarHBondContact O-CB 3.25Å; L171-S206 PolarHBondContact O-N 3.31Å; L171-S206 VanDerWaalsContact O-N 3.16Å |
| 172 | T | 98.2 | Very high | 95.9 | Very high | 4 Ų | 4 | 36.7 Ų | 36.7 | 3% | 0.025 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 126.3 | 171.2 | -62.3 | 0 | 0 | 0 | 0 | 110.5 | H99 L100 I101 L102 S206 Y208 | H99-T172 PolarHBondContact NE2-OG1 3.13Å; L100-T172 PolarHBondContact O-N 2.97Å; I101-T172 CarbonylContact C-O 3.57Å; I101-T172 WeakPolarHBondContact CA-O 3.2Å; L102-T172 PolarHBondContact N-O 3.04Å; T172-S206 CarbonylContact C-O 3.6Å; T172-S206 WeakPolarHBondContact CA-O 3.42Å; T172-S206 WeakPolarHBondContact CB-OG 3.37Å; T172-S206 WeakPolarHBondContact CG2-OG 3.46Å; T172-S206 PolarHBondContact OG1-OG 2.79Å; T172-Y208 HydrophobicContact CG2-CD2 3.68Å; T172-Y208 HydrophobicContact CG2-CE2 3.97Å |
| 173 | F | 98.7 | Very high | 96.2 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.013 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 122.8 | 165.9 | -75.4 | -107.2 | 0 | 0 | 0 | 109.1 | L102 I104 V116 L120 L171 L199 S200 Y203 A205 S206 V207 Y208 | L102-F173 HydrophobicContact CD2-CD1 3.96Å; L102-F173 HydrophobicContact CD2-CE1 3.59Å; L102-F173 HydrophobicContact CD2-CZ 3.98Å; I104-F173 HydrophobicContact CG1-CD1 4.39Å; V116-F173 HydrophobicContact CG1-CE1 3.94Å; V116-F173 HydrophobicContact CG1-CZ 3.95Å; V116-F173 HydrophobicContact CG2-CE1 3.75Å; L120-F173 HydrophobicContact CD1-CZ 4.5Å; L171-F173 HydrophobicContact CD2-CD2 4.43Å; L171-F173 HydrophobicContact CD2-CE2 3.69Å; L171-F173 HydrophobicContact CD2-CZ 4.43Å; L171-F173 HydrophobicContact CG-CD2 4.32Å; L171-F173 HydrophobicContact CG-CE2 4.06Å; F173-L199 HydrophobicContact CE1-CB 4.25Å; F173-L199 HydrophobicContact CZ-CB 4.16Å; F173-S200 WeakPolarHBondContact CD2-OG 3.45Å; F173-S200 WeakPolarHBondContact CG-OG 3.47Å; F173-Y203 HydrophobicContact CZ-CD2 4.3Å; F173-A205 HydrophobicContact CD2-CB 3.69Å; F173-A205 HydrophobicContact CE2-CB 3.8Å; F173-S206 PolarHBondContact N-O 3.09Å; F173-V207 HydrophobicContact CB-CB 4.07Å; F173-V207 HydrophobicContact CB-CG2 3.77Å; F173-V207 CarbonylContact O-C 3.42Å; F173-V207 VanDerWaalsContact O-CA 3.31Å; F173-V207 WeakPolarHBondContact O-CA 3.42Å; F173-Y208 PolarHBondContact O-N 2.93Å |
| 174 | L | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 31.4 Ų | 31.4 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 98.6 | 174.9 | -174.1 | 66.5 | 0 | 0 | 0 | 109.4 | I36 I101 L102 V103 I104 Y208 I221 | I36-L174 HydrophobicContact CB-CD2 4.28Å; I36-L174 HydrophobicContact CD1-CD2 4.31Å; I36-L174 HydrophobicContact CG1-CD2 3.84Å; I36-L174 HydrophobicContact CG2-CD2 3.72Å; I101-L174 HydrophobicContact CG2-CB 4.17Å; L102-L174 PolarHBondContact O-N 3.15Å; V103-L174 CarbonylContact C-O 3.54Å; V103-L174 WeakPolarHBondContact CA-O 3.47Å; V103-L174 HydrophobicContact CG2-CB 4.35Å; V103-L174 HydrophobicContact CG2-CD2 4.26Å; I104-L174 PolarHBondContact N-O 3.03Å; L174-Y208 CarbonylContact C-O 3.58Å; L174-Y208 WeakPolarHBondContact CA-O 3.13Å; L174-I221 HydrophobicContact CD1-CD1 3.61Å; L174-I221 HydrophobicContact CD1-CG1 4.19Å; L174-I221 HydrophobicContact CD1-CG2 4.01Å; L174-I221 HydrophobicContact CD2-CG2 4.41Å |
| 175 | G | 98.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 2% | 0.021 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 128.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | I104 Y208 F209 S210 | I104-G175 CarbonylContact O-C 3.25Å; I104-G175 WeakPolarHBondContact O-CA 3.48Å; G175-Y208 PolarHBondContact N-O 2.79Å; G175-F209 CarbonylContact O-C 3.6Å; G175-F209 VanDerWaalsContact O-CA 3.31Å; G175-F209 WeakPolarHBondContact O-CA 3.28Å; G175-S210 PolarHBondContact O-N 3.48Å; G175-S210 PolarHBondContact O-OG 3.17Å |
| 176 | T | 98.2 | Very high | 96.4 | Very high | 7 Ų | 7 | 33.5 Ų | 33.5 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 164.4 | 178.4 | 63.2 | 0 | 0 | 0 | 0 | 110.8 | S31 I36 V103 I104 L106 H178 S210 | S31-T176 WeakPolarHBondContact O-CB 3.43Å; S31-T176 VanDerWaalsContact O-CG2 3.29Å; S31-T176 WeakPolarHBondContact O-CG2 3.33Å; S31-T176 PolarHBondContact O-OG1 3.16Å; I36-T176 HydrophobicContact CG1-CG2 4.47Å; V103-T176 HydrophobicContact CG1-CG2 3.57Å; I104-T176 PolarHBondContact O-N 3.17Å; I104-T176 PolarHBondContact O-OG1 3.35Å; I104-T176 VanDerWaalsContact O-OG1 3.08Å; L106-T176 WeakPolarHBondContact CB-O 3.32Å; L106-T176 WeakPolarHBondContact CG-O 3.39Å; L106-T176 PolarHBondContact N-O 3.32Å; T176-H178 VanDerWaalsContact C-N 3.26Å; T176-H178 PolarHBondContact O-N 3.04Å; T176-S210 CarbonylContact C-O 3.58Å; T176-S210 WeakPolarHBondContact CA-O 3.17Å |
| 177 | K | 96.9 | Very high | 96.3 | Very high | 61 Ų | 61 | 35 Ų | 35 | 27% | 0.265 | 19% | 0.193 | S | C | . | . | trans | 59.4 | 38.9 | -177.9 | -46.4 | -171.1 | -164.2 | 164.7 | 0 | 112.4 | G30 D105 D179 I180 L181 S210 | G30-K177 WeakPolarHBondContact O-CE 3.44Å; G30-K177 PolarHBondContact O-NZ 3.01Å; D105-K177 VanDerWaalsContact OD1-CD 3.29Å; D105-K177 WeakPolarHBondContact OD1-CD 3.49Å; D105-K177 IonicContact OD1-NZ 3.77Å; D105-K177 WeakPolarHBondContact OD2-CE 3.4Å; D105-K177 IonicContact OD2-NZ 3.95Å; D105-K177 PolarHBondContact OD2-NZ 2.82Å; K177-D179 PolarHBondContact O-N 3.41Å; K177-I180 HydrophobicContact CB-CB 4.38Å; K177-I180 HydrophobicContact CB-CD1 4.02Å; K177-I180 HydrophobicContact CB-CG1 4.21Å; K177-I180 HydrophobicContact CD-CD1 3.99Å; K177-I180 HydrophobicContact CG-CD1 4.47Å; K177-I180 PolarHBondContact O-N 2.94Å; K177-L181 PolarHBondContact O-N 2.99Å; K177-S210 PolarHBondContact N-O 3.04Å | ||
| 178 | H | 97.1 | Very high | 96.2 | Very high | 3 Ų | 3 | 36.5 Ų | 36.5 | 1% | 0.014 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -52.9 | -37.4 | 174.5 | 174.5 | -100.2 | 0 | 0 | 0 | 112.3 | L106 T176 I180 L181 M182 F209 S210 E214 | L106-H178 HydrophobicContact CD1-CB 4.2Å; T176-H178 VanDerWaalsContact C-N 3.26Å; T176-H178 PolarHBondContact O-N 3.04Å; H178-I180 PolarHBondContact O-N 3.22Å; H178-L181 WeakPolarHBondContact O-CB 3.32Å; H178-L181 PolarHBondContact O-N 3.47Å; H178-L181 VanDerWaalsContact O-N 3.1Å; H178-M182 WeakPolarHBondContact O-CG 3.26Å; H178-M182 PolarHBondContact O-N 2.91Å; H178-F209 HydrophobicContact CB-CB 4.4Å; H178-F209 AromaticContact CD2-CD2 3.74Å; H178-S210 WeakPolarHBondContact CB-O 3.39Å; H178-S210 PolarHBondContact N-O 3.28Å; H178-E214 IonicContact ND1-OE1 3.38Å; H178-E214 PolarHBondContact ND1-OE1 3.06Å |
| 179 | D | 96.4 | Very high | 96.3 | Very high | 28 Ų | 28 | 36.6 Ų | 36.6 | 15% | 0.15 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.1 | -33.5 | 176 | 59.6 | -62.9 | 0 | 0 | 0 | 113.1 | K177 S211 K213 | K177-D179 PolarHBondContact O-N 3.41Å; D179-S211 WeakPolarHBondContact CB-OG 3.27Å; D179-S211 WeakPolarHBondContact OD1-CB 3.5Å; D179-S211 PolarHBondContact OD1-OG 2.77Å; D179-K213 HydrophobicContact CB-CD 4.32Å; D179-K213 WeakPolarHBondContact OD2-CD 3.36Å; D179-K213 VanDerWaalsContact OD2-CE 3.25Å; D179-K213 WeakPolarHBondContact OD2-CE 3.28Å; D179-K213 IonicContact OD2-NZ 3.11Å; D179-K213 PolarHBondContact OD2-NZ 3.26Å |
| 180 | I | 96.9 | Very high | 96.3 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 33% | 0.333 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -81 | -33.5 | 177.1 | -52.5 | -179 | 0 | 0 | 0 | 111 | K177 H178 M182 T183 | K177-I180 HydrophobicContact CB-CB 4.38Å; K177-I180 HydrophobicContact CB-CD1 4.02Å; K177-I180 HydrophobicContact CB-CG1 4.21Å; K177-I180 HydrophobicContact CD-CD1 3.99Å; K177-I180 HydrophobicContact CG-CD1 4.47Å; K177-I180 PolarHBondContact O-N 2.94Å; H178-I180 PolarHBondContact O-N 3.22Å; I180-M182 PolarHBondContact O-N 2.78Å; I180-T183 PolarHBondContact O-N 2.78Å; I180-T183 VanDerWaalsContact O-N 3.14Å; I180-T183 PolarHBondContact O-OG1 2.88Å |
| 181 | L | 96.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -56.6 | -42.1 | 170.6 | 174.9 | 62.2 | 0 | 0 | 0 | 110.5 | L106 K177 H178 T183 R184 Q189 I192 F209 | L106-L181 HydrophobicContact CB-CB 4.03Å; L106-L181 HydrophobicContact CB-CD2 4.28Å; L106-L181 HydrophobicContact CD1-CD2 4.09Å; K177-L181 PolarHBondContact O-N 2.99Å; H178-L181 WeakPolarHBondContact O-CB 3.32Å; H178-L181 PolarHBondContact O-N 3.47Å; H178-L181 VanDerWaalsContact O-N 3.1Å; L181-T183 PolarHBondContact O-N 3.32Å; L181-R184 WeakPolarHBondContact O-CB 3.38Å; L181-R184 PolarHBondContact O-N 3.27Å; L181-Q189 HydrophobicContact CD1-CG 4.41Å; L181-Q189 WeakPolarHBondContact O-CG 3.25Å; L181-I192 HydrophobicContact CD1-CB 4.06Å; L181-I192 HydrophobicContact CD1-CD1 3.55Å; L181-I192 HydrophobicContact CD1-CG1 4.41Å; L181-I192 HydrophobicContact CD1-CG2 4Å; L181-I192 HydrophobicContact CD2-CG2 4.38Å; L181-F209 HydrophobicContact CD2-CE2 4.08Å |
| 182 | M | 95.6 | Very high | 96.2 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 32% | 0.32 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -13.6 | 179.7 | -65.1 | -50 | -61.5 | 0 | 0 | 114.5 | H178 I180 Q189 | H178-M182 WeakPolarHBondContact O-CG 3.26Å; H178-M182 PolarHBondContact O-N 2.91Å; I180-M182 PolarHBondContact O-N 2.78Å; M182-Q189 PolarHBondContact O-NE2 3.12Å; M182-Q189 VanDerWaalsContact O-NE2 3.14Å |
| 183 | T | 96.2 | Very high | 96.1 | Very high | 115 Ų | 115 | 37 Ų | 37 | 71% | 0.706 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -8.8 | 173.3 | 71.2 | 0 | 0 | 0 | 0 | 113.2 | I180 L181 | I180-T183 PolarHBondContact O-N 2.78Å; I180-T183 VanDerWaalsContact O-N 3.14Å; I180-T183 PolarHBondContact O-OG1 2.88Å; L181-T183 PolarHBondContact O-N 3.32Å |
| 184 | R | 95.8 | Very high | 96 | Very high | 68 Ų | 68 | 39 Ų | 39 | 26% | 0.257 | 21% | 0.207 | S | C | . | . | S | Bend | trans | -76.7 | 168 | 176.1 | -65.3 | -177.8 | 168.9 | -87.6 | -0.6 | 110.9 | S107 L181 Q188 Q189 | S107-R184 PolarHBondContact O-NH2 3.06Å; L181-R184 WeakPolarHBondContact O-CB 3.38Å; L181-R184 PolarHBondContact O-N 3.27Å; R184-Q188 HydrophobicContact CB-CB 4.18Å; R184-Q189 HydrophobicContact CB-CG 4.3Å; R184-Q189 PolarHBondContact O-NE2 3.37Å |
| 185 | D | 94.4 | Very high | 95.9 | Very high | 76 Ų | 76 | 38.9 Ų | 38.9 | 41% | 0.406 | 21% | 0.206 | S | C | . | . | trans | -65.7 | 158.3 | 172 | 66.2 | 54.6 | 0 | 0 | 0 | 112.1 | E187 Q188 Q189 | D185-E187 VanDerWaalsContact C-N 3.25Å; D185-E187 PolarHBondContact O-N 2.77Å; D185-E187 WeakPolarHBondContact OD1-CB 3.4Å; D185-E187 PolarHBondContact OD1-N 3.26Å; D185-Q188 PolarHBondContact O-N 3.38Å; D185-Q188 VanDerWaalsContact OD1-CB 3.31Å; D185-Q188 WeakPolarHBondContact OD1-CB 3.47Å; D185-Q188 WeakPolarHBondContact OD1-CG 3.46Å; D185-Q188 PolarHBondContact OD1-N 3.34Å; D185-Q188 WeakPolarHBondContact OD2-CG 3.28Å; D185-Q188 PolarHBondContact OD2-NE2 2.94Å; D185-Q189 WeakPolarHBondContact O-CG 3.37Å; D185-Q189 PolarHBondContact O-N 3.33Å | ||
| 186 | A | 93.5 | Very high | 95.9 | Very high | 75 Ų | 75 | 39 Ų | 39 | 62% | 0.62 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -63.3 | -29.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | N190 | A186-N190 VanDerWaalsContact O-CB 3.23Å; A186-N190 WeakPolarHBondContact O-CB 3.38Å; A186-N190 PolarHBondContact O-N 3.49Å |
| 187 | E | 92.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 39.6 Ų | 39.6 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -65.7 | -48.9 | 177.6 | -170.6 | -158.4 | 161 | 0 | 0 | 110.3 | D185 N190 L191 N263 K287 | D185-E187 VanDerWaalsContact C-N 3.25Å; D185-E187 PolarHBondContact O-N 2.77Å; D185-E187 WeakPolarHBondContact OD1-CB 3.4Å; D185-E187 PolarHBondContact OD1-N 3.26Å; E187-N190 PolarHBondContact O-N 3.42Å; E187-L191 WeakPolarHBondContact O-CB 3.32Å; E187-L191 PolarHBondContact O-N 3.34Å; E187-N263 PolarHBondContact OE1-ND2 2.98Å; E187-K287 IonicContact OE1-NZ 2.86Å; E187-K287 PolarHBondContact OE1-NZ 3.49Å; E187-K287 IonicContact OE2-NZ 2.89Å; E187-K287 PolarHBondContact OE2-NZ 2.86Å |
| 188 | Q | 94.5 | Very high | 95.9 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.8 | -44.9 | 177.6 | -70.6 | 179 | 25.2 | 0 | 0 | 111.6 | R184 D185 N190 L191 I192 F288 | R184-Q188 HydrophobicContact CB-CB 4.18Å; D185-Q188 PolarHBondContact O-N 3.38Å; D185-Q188 VanDerWaalsContact OD1-CB 3.31Å; D185-Q188 WeakPolarHBondContact OD1-CB 3.47Å; D185-Q188 WeakPolarHBondContact OD1-CG 3.46Å; D185-Q188 PolarHBondContact OD1-N 3.34Å; D185-Q188 WeakPolarHBondContact OD2-CG 3.28Å; D185-Q188 PolarHBondContact OD2-NE2 2.94Å; Q188-N190 VanDerWaalsContact C-N 3.32Å; Q188-N190 PolarHBondContact O-N 3.35Å; Q188-L191 PolarHBondContact O-N 3.44Å; Q188-I192 WeakPolarHBondContact O-CB 3.39Å; Q188-I192 WeakPolarHBondContact O-CD1 3.44Å; Q188-I192 VanDerWaalsContact O-CG1 3.24Å; Q188-I192 WeakPolarHBondContact O-CG1 3.41Å; Q188-I192 PolarHBondContact O-N 2.93Å; Q188-F288 HydrophobicContact CB-CZ 4.05Å; Q188-F288 HydrophobicContact CG-CE1 4.2Å; Q188-F288 HydrophobicContact CG-CZ 3.85Å |
| 189 | Q | 95.2 | Very high | 96 | Very high | 27 Ų | 27 | 36.7 Ų | 36.7 | 13% | 0.126 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -55.6 | -49.9 | 175.7 | -71.8 | 178.5 | 27.8 | 0 | 0 | 111 | L181 M182 R184 D185 I192 C193 T242 | L181-Q189 HydrophobicContact CD1-CG 4.41Å; L181-Q189 WeakPolarHBondContact O-CG 3.25Å; M182-Q189 PolarHBondContact O-NE2 3.12Å; M182-Q189 VanDerWaalsContact O-NE2 3.14Å; R184-Q189 HydrophobicContact CB-CG 4.3Å; R184-Q189 PolarHBondContact O-NE2 3.37Å; D185-Q189 WeakPolarHBondContact O-CG 3.37Å; D185-Q189 PolarHBondContact O-N 3.33Å; Q189-I192 PolarHBondContact O-N 3.35Å; Q189-C193 WeakPolarHBondContact O-CB 3.46Å; Q189-C193 PolarHBondContact O-N 2.8Å; Q189-C193 PolarHBondContact O-SG 3.33Å; Q189-T242 HydrophobicContact CB-CG2 4.09Å |
| 190 | N | 94.2 | Very high | 96 | Very high | 50 Ų | 50 | 35.4 Ų | 35.4 | 27% | 0.267 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -63.8 | -43.8 | -179.5 | -173 | 41.8 | 0 | 0 | 0 | 112 | A186 E187 Q188 K194 T242 | A186-N190 VanDerWaalsContact O-CB 3.23Å; A186-N190 WeakPolarHBondContact O-CB 3.38Å; A186-N190 PolarHBondContact O-N 3.49Å; E187-N190 PolarHBondContact O-N 3.42Å; Q188-N190 VanDerWaalsContact C-N 3.32Å; Q188-N190 PolarHBondContact O-N 3.35Å; N190-K194 WeakPolarHBondContact O-CB 3.46Å; N190-K194 WeakPolarHBondContact O-CG 3.45Å; N190-K194 PolarHBondContact O-N 3.45Å; N190-K194 VanDerWaalsContact OD1-CE 3.3Å; N190-K194 WeakPolarHBondContact OD1-CE 3.33Å; N190-T242 HydrophobicContact CB-CG2 4.43Å |
| 191 | L | 95.4 | Very high | 96.1 | Very high | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.1 | -47 | 177.5 | 179.3 | 59.2 | 0 | 0 | 0 | 111.6 | E187 Q188 T195 P262 I283 F284 K287 F288 | E187-L191 WeakPolarHBondContact O-CB 3.32Å; E187-L191 PolarHBondContact O-N 3.34Å; Q188-L191 PolarHBondContact O-N 3.44Å; L191-T195 VanDerWaalsContact O-CB 3.28Å; L191-T195 WeakPolarHBondContact O-CB 3.29Å; L191-T195 PolarHBondContact O-N 3.47Å; L191-T195 PolarHBondContact O-OG1 3.24Å; L191-P262 HydrophobicContact CD1-CG 4.49Å; L191-I283 HydrophobicContact CD1-CG2 4.35Å; L191-F284 HydrophobicContact CD1-CD2 4.37Å; L191-F284 HydrophobicContact CD2-CD2 4.47Å; L191-F284 HydrophobicContact CG-CD2 4.05Å; L191-K287 HydrophobicContact CD2-CB 3.76Å; L191-K287 HydrophobicContact CD2-CG 3.82Å; L191-F288 HydrophobicContact CD2-CD2 4.25Å; L191-F288 HydrophobicContact CD2-CE2 3.7Å; L191-F288 HydrophobicContact CG-CE2 4.19Å |
| 192 | I | 97 | Very high | 96.1 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -48.4 | 179.6 | -66.6 | 164.8 | 0 | 0 | 0 | 110.9 | L106 P109 L181 Q188 Q189 T195 I196 F284 F288 | L106-I192 HydrophobicContact CD2-CG2 4.39Å; P109-I192 HydrophobicContact CB-CD1 3.83Å; P109-I192 HydrophobicContact CB-CG1 4.01Å; P109-I192 HydrophobicContact CG-CD1 3.94Å; L181-I192 HydrophobicContact CD1-CB 4.06Å; L181-I192 HydrophobicContact CD1-CD1 3.55Å; L181-I192 HydrophobicContact CD1-CG1 4.41Å; L181-I192 HydrophobicContact CD1-CG2 4Å; L181-I192 HydrophobicContact CD2-CG2 4.38Å; Q188-I192 WeakPolarHBondContact O-CB 3.39Å; Q188-I192 WeakPolarHBondContact O-CD1 3.44Å; Q188-I192 VanDerWaalsContact O-CG1 3.24Å; Q188-I192 WeakPolarHBondContact O-CG1 3.41Å; Q188-I192 PolarHBondContact O-N 2.93Å; Q189-I192 PolarHBondContact O-N 3.35Å; I192-T195 PolarHBondContact O-N 2.89Å; I192-I196 HydrophobicContact CG2-CD1 3.82Å; I192-I196 WeakPolarHBondContact O-CG1 3.09Å; I192-I196 PolarHBondContact O-N 2.99Å; I192-F284 HydrophobicContact CG1-CE2 4.14Å; I192-F288 HydrophobicContact CD1-CE2 4.3Å; I192-F288 HydrophobicContact CD1-CZ 4.01Å; I192-F288 HydrophobicContact CG1-CE2 3.87Å; I192-F288 HydrophobicContact CG1-CZ 4.08Å |
| 193 | C | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | -179.3 | -68.2 | 0 | 0 | 0 | 0 | 111.6 | Q189 I196 R197 T242 L246 | Q189-C193 WeakPolarHBondContact O-CB 3.46Å; Q189-C193 PolarHBondContact O-N 2.8Å; Q189-C193 PolarHBondContact O-SG 3.33Å; C193-I196 PolarHBondContact O-N 2.87Å; C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 VanDerWaalsContact O-CG 3.32Å; C193-R197 WeakPolarHBondContact O-CG 3.35Å; C193-R197 PolarHBondContact O-N 2.9Å; C193-T242 HydrophobicContact CB-CG2 3.95Å; C193-L246 HydrophobicContact CB-CD1 4.37Å |
| 194 | K | 96.1 | Very high | 96.1 | Very high | 47 Ų | 47 | 27.5 Ų | 27.5 | 20% | 0.204 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.3 | -39.3 | 179.7 | -70.9 | -171.3 | 170.8 | -146.5 | 0 | 112.6 | N190 I196 R197 F198 I258 W280 | N190-K194 WeakPolarHBondContact O-CB 3.46Å; N190-K194 WeakPolarHBondContact O-CG 3.45Å; N190-K194 PolarHBondContact O-N 3.45Å; N190-K194 VanDerWaalsContact OD1-CE 3.3Å; N190-K194 WeakPolarHBondContact OD1-CE 3.33Å; K194-I196 PolarHBondContact O-N 3.37Å; K194-R197 PolarHBondContact O-N 2.93Å; K194-F198 WeakPolarHBondContact O-CB 3.42Å; K194-F198 PolarHBondContact O-N 2.92Å; K194-I258 HydrophobicContact CB-CG2 4.37Å; K194-I258 WeakPolarHBondContact CE-O 3.4Å; K194-I258 PolarHBondContact NZ-O 2.77Å; K194-W280 HydrophobicContact CB-CH2 3.65Å; K194-W280 HydrophobicContact CB-CZ3 3.96Å |
| 195 | T | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 175.5 | -67 | 0 | 0 | 0 | 0 | 111.3 | W113 L191 I192 F198 L199 W280 F284 | W113-T195 HydrophobicContact CE3-CG2 4.11Å; W113-T195 HydrophobicContact CZ3-CG2 3.75Å; L191-T195 VanDerWaalsContact O-CB 3.28Å; L191-T195 WeakPolarHBondContact O-CB 3.29Å; L191-T195 PolarHBondContact O-N 3.47Å; L191-T195 PolarHBondContact O-OG1 3.24Å; I192-T195 PolarHBondContact O-N 2.89Å; T195-F198 PolarHBondContact O-N 2.94Å; T195-L199 HydrophobicContact CG2-CD1 3.98Å; T195-L199 HydrophobicContact CG2-CG 4.39Å; T195-L199 WeakPolarHBondContact O-CG 3.27Å; T195-L199 PolarHBondContact O-N 3.23Å; T195-W280 WeakPolarHBondContact OG1-CZ3 3.25Å; T195-F284 HydrophobicContact CG2-CB 4.37Å; T195-F284 HydrophobicContact CG2-CD2 3.71Å; T195-F284 HydrophobicContact CG2-CE2 4.09Å; T195-F284 HydrophobicContact CG2-CG 3.96Å; T195-F284 VanDerWaalsContact OG1-CD2 3.26Å; T195-F284 WeakPolarHBondContact OG1-CD2 3.14Å |
| 196 | I | 97.9 | Very high | 96.4 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -67 | -40.4 | 178.4 | -68.2 | 169.3 | 0 | 0 | 0 | 111 | L106 L112 I192 C193 K194 L199 S200 V207 F209 | L106-I196 HydrophobicContact CD2-CD1 3.27Å; L112-I196 HydrophobicContact CD1-CD1 3.75Å; L112-I196 HydrophobicContact CD1-CG1 3.76Å; I192-I196 HydrophobicContact CG2-CD1 3.82Å; I192-I196 WeakPolarHBondContact O-CG1 3.09Å; I192-I196 PolarHBondContact O-N 2.99Å; C193-I196 PolarHBondContact O-N 2.87Å; K194-I196 PolarHBondContact O-N 3.37Å; I196-L199 PolarHBondContact O-N 3.33Å; I196-S200 VanDerWaalsContact O-CB 3.28Å; I196-S200 WeakPolarHBondContact O-CB 3.23Å; I196-S200 PolarHBondContact O-N 3.45Å; I196-S200 PolarHBondContact O-OG 2.85Å; I196-V207 HydrophobicContact CG2-CG2 3.57Å; I196-F209 HydrophobicContact CB-CZ 4.34Å; I196-F209 HydrophobicContact CD1-CE1 3.95Å; I196-F209 HydrophobicContact CD1-CZ 3.75Å; I196-F209 HydrophobicContact CG2-CE1 3.94Å; I196-F209 HydrophobicContact CG2-CZ 4.23Å |
| 197 | R | 97.5 | Very high | 96.6 | Very high | 20 Ų | 20 | 17.9 Ų | 17.9 | 8% | 0.075 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -58.8 | -47.3 | 173.1 | -74.3 | 179.2 | 61.8 | -169.4 | -8.3 | 111.4 | C193 K194 S200 H201 M240 L246 I248 D253 I258 | C193-R197 WeakPolarHBondContact O-CB 3.45Å; C193-R197 VanDerWaalsContact O-CG 3.32Å; C193-R197 WeakPolarHBondContact O-CG 3.35Å; C193-R197 PolarHBondContact O-N 2.9Å; K194-R197 PolarHBondContact O-N 2.93Å; R197-S200 PolarHBondContact O-N 3.15Å; R197-H201 VanDerWaalsContact O-CB 3.32Å; R197-H201 WeakPolarHBondContact O-CB 3.37Å; R197-H201 PolarHBondContact O-N 3.46Å; R197-M240 PolarHBondContact NH1-O 2.82Å; R197-L246 HydrophobicContact CG-CD1 3.73Å; R197-I248 HydrophobicContact CG-CD1 3.81Å; R197-D253 IonicContact CZ-OD1 2.71Å; R197-D253 IonicContact CZ-OD2 2.72Å; R197-D253 IonicContact NE-OD1 3.86Å; R197-D253 IonicContact NE-OD2 2.76Å; R197-D253 PolarHBondContact NE-OD2 3.07Å; R197-D253 VanDerWaalsContact NH2-CG 3.33Å; R197-D253 IonicContact NH2-OD1 2.8Å; R197-D253 PolarHBondContact NH2-OD1 3.05Å; R197-D253 IonicContact NH2-OD2 3.88Å; R197-D253 PolarHBondContact NH2-OD2 3.41Å; R197-D253 VanDerWaalsContact NH2-OD2 3.11Å; R197-I258 HydrophobicContact CB-CD1 4.21Å; R197-I258 HydrophobicContact CB-CG1 4.07Å |
| 198 | F | 97.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 14.6 Ų | 14.6 | 1% | 0.009 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -57.2 | -52.7 | 175.4 | 171 | -97.4 | 0 | 0 | 0 | 112 | K194 T195 S200 H201 Y202 F255 I258 P276 L277 W280 | K194-F198 WeakPolarHBondContact O-CB 3.42Å; K194-F198 PolarHBondContact O-N 2.92Å; T195-F198 PolarHBondContact O-N 2.94Å; F198-S200 VanDerWaalsContact C-N 3.32Å; F198-S200 PolarHBondContact O-N 2.65Å; F198-H201 PolarHBondContact O-N 2.82Å; F198-Y202 HydrophobicContact CZ-CD2 4.11Å; F198-Y202 HydrophobicContact CZ-CG 4.23Å; F198-Y202 WeakPolarHBondContact O-CB 3.29Å; F198-Y202 PolarHBondContact O-N 3.27Å; F198-F255 AromaticContact CD2-CD1 3.91Å; F198-F255 HydrophobicContact CD2-CD1 3.91Å; F198-F255 AromaticContact CD2-CE1 3.53Å; F198-F255 HydrophobicContact CD2-CE1 3.53Å; F198-F255 HydrophobicContact CE2-CD1 4.09Å; F198-F255 AromaticContact CE2-CE1 3.48Å; F198-F255 HydrophobicContact CE2-CE1 3.48Å; F198-F255 VanDerWaalsContact CE2-CE1 3.48Å; F198-F255 HydrophobicContact CE2-CZ 4.23Å; F198-I258 HydrophobicContact CB-CG2 4.32Å; F198-P276 HydrophobicContact CE2-CB 4.08Å; F198-P276 HydrophobicContact CZ-CB 4.04Å; F198-L277 HydrophobicContact CE1-CD1 3.96Å; F198-W280 HydrophobicContact CB-CD2 4.06Å; F198-W280 HydrophobicContact CB-CE3 4.47Å; F198-W280 HydrophobicContact CB-CG 4.47Å; F198-W280 HydrophobicContact CB-CZ2 4.16Å; F198-W280 HydrophobicContact CD1-CB 3.83Å; F198-W280 AromaticContact CD1-CD1 3.53Å; F198-W280 AromaticContact CD1-CD2 3.96Å; F198-W280 HydrophobicContact CD1-CD2 3.96Å; F198-W280 AromaticContact CD1-CG 3.5Å; F198-W280 HydrophobicContact CD1-CG 3.5Å; F198-W280 VanDerWaalsContact CD1-CG 3.5Å; F198-W280 AromaticContact CD1-NE1 4Å; F198-W280 AromaticContact CD2-CD1 3.48Å; F198-W280 VanDerWaalsContact CD2-CD1 3.48Å; F198-W280 HydrophobicContact CD2-CD2 4.4Å; F198-W280 AromaticContact CD2-CE2 3.88Å; F198-W280 HydrophobicContact CD2-CG 4.19Å; F198-W280 AromaticContact CD2-NE1 3.25Å; F198-W280 HydrophobicContact CE1-CB 3.81Å; F198-W280 AromaticContact CE1-CD1 3.51Å; F198-W280 AromaticContact CE1-CG 3.72Å; F198-W280 HydrophobicContact CE1-CG 3.72Å; F198-W280 AromaticContact CE2-CD1 3.45Å; F198-W280 VanDerWaalsContact CE2-CD1 3.45Å; F198-W280 HydrophobicContact CE2-CG 4.37Å; F198-W280 AromaticContact CE2-NE1 3.59Å; F198-W280 AromaticContact CG-CD1 3.52Å; F198-W280 AromaticContact CG-CD2 3.85Å; F198-W280 HydrophobicContact CG-CD2 3.85Å; F198-W280 AromaticContact CG-CE2 3.71Å; F198-W280 AromaticContact CG-CG 3.77Å; F198-W280 HydrophobicContact CG-CG 3.77Å; F198-W280 HydrophobicContact CG-CZ2 4.44Å; F198-W280 AromaticContact CG-NE1 3.48Å; F198-W280 AromaticContact CZ-CD1 3.47Å; F198-W280 VanDerWaalsContact CZ-CD1 3.47Å; F198-W280 HydrophobicContact CZ-CG 4.16Å |
| 199 | L | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 12.9 Ų | 12.9 | 1% | 0.005 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 179.9 | -71.4 | 171.1 | 0 | 0 | 0 | 111.4 | L112 W113 V116 F173 T195 I196 Y203 L277 | L112-L199 HydrophobicContact CD2-CD1 3.98Å; W113-L199 HydrophobicContact CE3-CD1 4.37Å; W113-L199 HydrophobicContact CH2-CD2 3.89Å; W113-L199 HydrophobicContact CZ2-CD2 4.16Å; W113-L199 HydrophobicContact CZ3-CD1 4.3Å; W113-L199 HydrophobicContact CZ3-CD2 4.24Å; W113-L199 HydrophobicContact CZ3-CG 4.49Å; V116-L199 HydrophobicContact CG1-CD1 4.46Å; V116-L199 HydrophobicContact CG2-CD1 4.4Å; F173-L199 HydrophobicContact CE1-CB 4.25Å; F173-L199 HydrophobicContact CZ-CB 4.16Å; T195-L199 HydrophobicContact CG2-CD1 3.98Å; T195-L199 HydrophobicContact CG2-CG 4.39Å; T195-L199 WeakPolarHBondContact O-CG 3.27Å; T195-L199 PolarHBondContact O-N 3.23Å; I196-L199 PolarHBondContact O-N 3.33Å; L199-Y203 HydrophobicContact CD2-CE2 4.02Å; L199-Y203 WeakPolarHBondContact O-CB 3.43Å; L199-Y203 WeakPolarHBondContact O-CD2 3.25Å; L199-Y203 PolarHBondContact O-N 2.91Å; L199-L277 HydrophobicContact CD2-CD1 3.87Å |
| 200 | S | 97.9 | Very high | 97 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.014 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63.4 | -48 | -180 | -53.6 | 0 | 0 | 0 | 0 | 110.5 | F173 I196 R197 F198 Y203 G204 A205 V207 | F173-S200 WeakPolarHBondContact CD2-OG 3.45Å; F173-S200 WeakPolarHBondContact CG-OG 3.47Å; I196-S200 VanDerWaalsContact O-CB 3.28Å; I196-S200 WeakPolarHBondContact O-CB 3.23Å; I196-S200 PolarHBondContact O-N 3.45Å; I196-S200 PolarHBondContact O-OG 2.85Å; R197-S200 PolarHBondContact O-N 3.15Å; F198-S200 VanDerWaalsContact C-N 3.32Å; F198-S200 PolarHBondContact O-N 2.65Å; S200-Y203 PolarHBondContact O-N 3.18Å; S200-G204 PolarHBondContact O-N 3.42Å; S200-G204 VanDerWaalsContact O-N 3.17Å; S200-A205 CarbonylContact C-O 3.46Å; S200-A205 WeakPolarHBondContact O-CA 3.28Å; S200-A205 WeakPolarHBondContact O-CB 3.46Å; S200-A205 PolarHBondContact O-N 3.03Å; S200-V207 WeakPolarHBondContact OG-CB 3.35Å |
| 201 | H | 97.2 | Very high | 97.1 | Very high | 10 Ų | 10 | 9.4 Ų | 9.4 | 5% | 0.046 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.8 | -51.4 | 177.4 | -170.2 | 52.3 | 0 | 0 | 0 | 112.1 | H158 D160 L164 R197 F198 Y203 G204 D253 F255 I258 | H158-H201 AromaticContact CE1-CE1 3.32Å; H158-H201 PolarHBondContact CE1-CE1 3.46Å; H158-H201 AromaticContact CE1-NE2 3.58Å; H158-H201 AromaticContact NE2-CE1 3.67Å; D160-H201 IonicContact OD2-CD2 3.63Å; D160-H201 IonicContact OD2-CE1 2.69Å; D160-H201 IonicContact OD2-NE2 3.49Å; D160-H201 PolarHBondContact OD2-NE2 3.16Å; L164-H201 VanDerWaalsContact CD2-O 3.31Å; L164-H201 WeakPolarHBondContact CD2-O 3.35Å; R197-H201 VanDerWaalsContact O-CB 3.32Å; R197-H201 WeakPolarHBondContact O-CB 3.37Å; R197-H201 PolarHBondContact O-N 3.46Å; F198-H201 PolarHBondContact O-N 2.82Å; H201-Y203 VanDerWaalsContact C-N 3.26Å; H201-Y203 PolarHBondContact O-N 3.42Å; H201-G204 PolarHBondContact O-N 3.01Å; H201-D253 PolarHBondContact CE1-O 3.44Å; H201-F255 AromaticContact CD2-CD1 3.78Å; H201-F255 AromaticContact CD2-CE1 3.6Å; H201-F255 AromaticContact CD2-CZ 3.79Å; H201-I258 HydrophobicContact CB-CD1 3.99Å |
| 202 | Y | 96.9 | Very high | 97 | Very high | 30 Ų | 30 | 13 Ų | 13 | 12% | 0.118 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -53.5 | -41.7 | 179.8 | 179.8 | -99.3 | 0 | 0 | 0 | 112.5 | N165 F198 G204 F255 L277 | N165-Y202 CarbonylContact C-O 3.54Å; N165-Y202 VanDerWaalsContact C-O 3.25Å; N165-Y202 HydrophobicContact CB-CD1 4.41Å; N165-Y202 HydrophobicContact CB-CE1 3.72Å; N165-Y202 HydrophobicContact CB-CE2 4.1Å; N165-Y202 PolarHBondContact N-O 3.37Å; F198-Y202 HydrophobicContact CZ-CD2 4.11Å; F198-Y202 HydrophobicContact CZ-CG 4.23Å; F198-Y202 WeakPolarHBondContact O-CB 3.29Å; F198-Y202 PolarHBondContact O-N 3.27Å; Y202-G204 VanDerWaalsContact C-N 3.34Å; Y202-F255 HydrophobicContact CD2-CZ 4.3Å; Y202-L277 HydrophobicContact CD1-CD1 4.17Å; Y202-L277 HydrophobicContact CE1-CB 4.32Å; Y202-L277 HydrophobicContact CE1-CD1 4.08Å; Y202-L277 HydrophobicContact CE1-CD2 3.84Å; Y202-L277 HydrophobicContact CE1-CG 4.3Å; Y202-L277 HydrophobicContact CE2-CB 4.45Å |
| 203 | Y | 97.2 | Very high | 96.8 | Very high | 33 Ų | 33 | 20.5 Ų | 20.5 | 13% | 0.129 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | 7.7 | 177.2 | -69.4 | -61.3 | 0 | 0 | 0 | 114.4 | V116 L120 N165 P166 F167 F173 L199 S200 H201 A205 | V116-Y203 HydrophobicContact CG1-CE2 4.35Å; L120-Y203 HydrophobicContact CD1-CD1 4.23Å; L120-Y203 HydrophobicContact CD1-CD2 3.66Å; L120-Y203 HydrophobicContact CD1-CE1 4.2Å; L120-Y203 HydrophobicContact CD1-CE2 3.64Å; L120-Y203 HydrophobicContact CD1-CG 3.99Å; N165-Y203 WeakPolarHBondContact O-CD1 3.35Å; P166-Y203 WeakPolarHBondContact CA-O 3.48Å; F167-Y203 PolarHBondContact N-O 2.92Å; F173-Y203 HydrophobicContact CZ-CD2 4.3Å; L199-Y203 HydrophobicContact CD2-CE2 4.02Å; L199-Y203 WeakPolarHBondContact O-CB 3.43Å; L199-Y203 WeakPolarHBondContact O-CD2 3.25Å; L199-Y203 PolarHBondContact O-N 2.91Å; S200-Y203 PolarHBondContact O-N 3.18Å; H201-Y203 VanDerWaalsContact C-N 3.26Å; H201-Y203 PolarHBondContact O-N 3.42Å; Y203-A205 VanDerWaalsContact C-N 3.32Å; Y203-A205 PolarHBondContact O-N 3.24Å |
| 204 | G | 96.3 | Very high | 96.6 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 5% | 0.052 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 35.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | S200 H201 Y202 V250 | S200-G204 PolarHBondContact O-N 3.42Å; S200-G204 VanDerWaalsContact O-N 3.17Å; H201-G204 PolarHBondContact O-N 3.01Å; Y202-G204 VanDerWaalsContact C-N 3.34Å; G204-V250 WeakPolarHBondContact O-CG1 3.47Å |
| 205 | A | 97.6 | Very high | 96.3 | Very high | 7 Ų | 7 | 26 Ų | 26 | 6% | 0.058 | 13% | 0.129 | C | C | . | . | trans | -111.9 | 152.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L171 F173 S200 Y203 | L171-A205 HydrophobicContact CB-CB 3.74Å; L171-A205 HydrophobicContact CD2-CB 3.82Å; L171-A205 HydrophobicContact CG-CB 3.57Å; L171-A205 VanDerWaalsContact O-CA 3.25Å; L171-A205 WeakPolarHBondContact O-CA 3.46Å; L171-A205 VanDerWaalsContact O-CB 3.28Å; L171-A205 WeakPolarHBondContact O-CB 3.25Å; F173-A205 HydrophobicContact CD2-CB 3.69Å; F173-A205 HydrophobicContact CE2-CB 3.8Å; S200-A205 CarbonylContact C-O 3.46Å; S200-A205 WeakPolarHBondContact O-CA 3.28Å; S200-A205 WeakPolarHBondContact O-CB 3.46Å; S200-A205 PolarHBondContact O-N 3.03Å; Y203-A205 VanDerWaalsContact C-N 3.32Å; Y203-A205 PolarHBondContact O-N 3.24Å | ||
| 206 | S | 97.2 | Very high | 96 | Very high | 8 Ų | 8 | 28.4 Ų | 28.4 | 6% | 0.056 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 155.1 | 167.6 | 59.7 | 0 | 0 | 0 | 0 | 110.1 | L171 T172 F173 Y208 I248 | L171-S206 PolarHBondContact O-N 3.31Å; L171-S206 VanDerWaalsContact O-N 3.16Å; T172-S206 CarbonylContact C-O 3.6Å; T172-S206 WeakPolarHBondContact CA-O 3.42Å; T172-S206 WeakPolarHBondContact CB-OG 3.37Å; T172-S206 WeakPolarHBondContact CG2-OG 3.46Å; T172-S206 PolarHBondContact OG1-OG 2.79Å; F173-S206 PolarHBondContact N-O 3.09Å; S206-Y208 WeakPolarHBondContact OG-CE2 3.44Å; S206-I248 CarbonylContact C-O 3.55Å; S206-I248 VanDerWaalsContact CA-O 3.24Å; S206-I248 WeakPolarHBondContact CA-O 3.29Å; S206-I248 WeakPolarHBondContact CB-O 3.47Å |
| 207 | V | 98.1 | Very high | 95.8 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 136.7 | 173.1 | 60.5 | 0 | 0 | 0 | 0 | 113.5 | F173 I196 S200 F209 A247 I248 | F173-V207 HydrophobicContact CB-CB 4.07Å; F173-V207 HydrophobicContact CB-CG2 3.77Å; F173-V207 CarbonylContact O-C 3.42Å; F173-V207 VanDerWaalsContact O-CA 3.31Å; F173-V207 WeakPolarHBondContact O-CA 3.42Å; I196-V207 HydrophobicContact CG2-CG2 3.57Å; S200-V207 WeakPolarHBondContact OG-CB 3.35Å; V207-F209 HydrophobicContact CG2-CD1 4.26Å; V207-F209 HydrophobicContact CG2-CE1 3.93Å; V207-A247 CarbonylContact O-C 3.59Å; V207-A247 WeakPolarHBondContact O-CA 3.34Å; V207-I248 HydrophobicContact CG1-CB 3.83Å; V207-I248 HydrophobicContact CG1-CD1 3.99Å; V207-I248 HydrophobicContact CG1-CG1 4.14Å; V207-I248 PolarHBondContact N-O 2.81Å; V207-I248 PolarHBondContact O-N 2.9Å |
| 208 | Y | 97.8 | Very high | 95.6 | Very high | 14 Ų | 14 | 28.4 Ų | 28.4 | 6% | 0.055 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 136 | 176.4 | -54.3 | -83.1 | 0 | 0 | 0 | 111.2 | T172 F173 L174 G175 S206 I221 V224 L246 A247 | T172-Y208 HydrophobicContact CG2-CD2 3.68Å; T172-Y208 HydrophobicContact CG2-CE2 3.97Å; F173-Y208 PolarHBondContact O-N 2.93Å; L174-Y208 CarbonylContact C-O 3.58Å; L174-Y208 WeakPolarHBondContact CA-O 3.13Å; G175-Y208 PolarHBondContact N-O 2.79Å; S206-Y208 WeakPolarHBondContact OG-CE2 3.44Å; Y208-I221 VanDerWaalsContact CB-CD1 3.43Å; Y208-I221 HydrophobicContact CG-CD1 4.24Å; Y208-V224 HydrophobicContact CD1-CG2 4.19Å; Y208-V224 HydrophobicContact CD2-CG1 3.98Å; Y208-V224 HydrophobicContact CE1-CG1 4.43Å; Y208-V224 HydrophobicContact CE1-CG2 3.77Å; Y208-V224 HydrophobicContact CE2-CG1 3.54Å; Y208-V224 HydrophobicContact CE2-CG2 4.39Å; Y208-L246 CarbonylContact C-O 3.53Å; Y208-L246 VanDerWaalsContact CA-O 3.28Å; Y208-L246 WeakPolarHBondContact CA-O 3.25Å; Y208-A247 HydrophobicContact CD1-CB 3.8Å; Y208-A247 HydrophobicContact CE1-CB 4.12Å |
| 209 | F | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 148.9 | 172.5 | -70.6 | -3.3 | 0 | 0 | 0 | 111.4 | L106 G175 H178 L181 I196 V207 V217 P245 L246 | L106-F209 HydrophobicContact CD1-CB 4.28Å; L106-F209 HydrophobicContact CD1-CD1 3.87Å; L106-F209 HydrophobicContact CD1-CD2 3.84Å; L106-F209 HydrophobicContact CD1-CE1 4.1Å; L106-F209 HydrophobicContact CD1-CE2 4.04Å; L106-F209 HydrophobicContact CD1-CG 3.74Å; L106-F209 HydrophobicContact CD1-CZ 4.18Å; L106-F209 HydrophobicContact CD2-CD1 4.36Å; L106-F209 HydrophobicContact CD2-CE1 3.82Å; L106-F209 HydrophobicContact CD2-CE2 4.42Å; L106-F209 HydrophobicContact CD2-CZ 3.84Å; G175-F209 CarbonylContact O-C 3.6Å; G175-F209 VanDerWaalsContact O-CA 3.31Å; G175-F209 WeakPolarHBondContact O-CA 3.28Å; H178-F209 HydrophobicContact CB-CB 4.4Å; H178-F209 AromaticContact CD2-CD2 3.74Å; L181-F209 HydrophobicContact CD2-CE2 4.08Å; I196-F209 HydrophobicContact CB-CZ 4.34Å; I196-F209 HydrophobicContact CD1-CE1 3.95Å; I196-F209 HydrophobicContact CD1-CZ 3.75Å; I196-F209 HydrophobicContact CG2-CE1 3.94Å; I196-F209 HydrophobicContact CG2-CZ 4.23Å; V207-F209 HydrophobicContact CG2-CD1 4.26Å; V207-F209 HydrophobicContact CG2-CE1 3.93Å; F209-V217 WeakPolarHBondContact O-CG1 3.41Å; F209-P245 HydrophobicContact CB-CB 4.03Å; F209-L246 HydrophobicContact CB-CB 4.49Å; F209-L246 HydrophobicContact CD1-CB 4.28Å; F209-L246 HydrophobicContact CD2-CB 3.9Å; F209-L246 HydrophobicContact CD2-CD1 4.12Å; F209-L246 HydrophobicContact CD2-CG 3.68Å; F209-L246 HydrophobicContact CE1-CD1 4.14Å; F209-L246 HydrophobicContact CE2-CB 4.19Å; F209-L246 HydrophobicContact CE2-CD1 3.53Å; F209-L246 HydrophobicContact CE2-CG 3.59Å; F209-L246 HydrophobicContact CG-CB 3.96Å; F209-L246 HydrophobicContact CG-CG 4.26Å; F209-L246 HydrophobicContact CZ-CB 4.5Å; F209-L246 HydrophobicContact CZ-CD1 3.55Å; F209-L246 HydrophobicContact CZ-CG 4.08Å; F209-L246 PolarHBondContact N-O 2.77Å |
| 210 | S | 96.4 | Very high | 95 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.021 | 20% | 0.204 | C | C | . | . | trans | -145.2 | 149.9 | -175.2 | 66.3 | 0 | 0 | 0 | 0 | 111.9 | G175 T176 K177 H178 | G175-S210 PolarHBondContact O-N 3.48Å; G175-S210 PolarHBondContact O-OG 3.17Å; T176-S210 CarbonylContact C-O 3.58Å; T176-S210 WeakPolarHBondContact CA-O 3.17Å; K177-S210 PolarHBondContact N-O 3.04Å; H178-S210 WeakPolarHBondContact CB-O 3.39Å; H178-S210 PolarHBondContact N-O 3.28Å | ||
| 211 | S | 96 | Very high | 94.8 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -134.3 | 143.3 | 167.1 | 176.2 | 0 | 0 | 0 | 0 | 108.8 | D179 K213 E214 L218 | D179-S211 WeakPolarHBondContact CB-OG 3.27Å; D179-S211 WeakPolarHBondContact OD1-CB 3.5Å; D179-S211 PolarHBondContact OD1-OG 2.77Å; S211-K213 PolarHBondContact O-N 2.95Å; S211-K213 PolarHBondContact OG-N 2.91Å; S211-K213 VanDerWaalsContact OG-N 3.11Å; S211-E214 PolarHBondContact O-N 3.4Å; S211-L218 WeakPolarHBondContact O-CG 3.39Å | ||
| 212 | T | 92.5 | Very high | 94.7 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 50% | 0.503 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -13.2 | 172.6 | 50.7 | 0 | 0 | 0 | 0 | 113 | T35 | T35-T212 HydrophobicContact CG2-CG2 3.82Š|
| 213 | K | 92.7 | Very high | 94.4 | Very high | 159 Ų | 159 | 44 Ų | 44 | 69% | 0.691 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -11.5 | 176 | -62.7 | -177.4 | -176.3 | 151.1 | 0 | 113.3 | D179 S211 | D179-K213 HydrophobicContact CB-CD 4.32Å; D179-K213 WeakPolarHBondContact OD2-CD 3.36Å; D179-K213 VanDerWaalsContact OD2-CE 3.25Å; D179-K213 WeakPolarHBondContact OD2-CE 3.28Å; D179-K213 IonicContact OD2-NZ 3.11Å; D179-K213 PolarHBondContact OD2-NZ 3.26Å; S211-K213 PolarHBondContact O-N 2.95Å; S211-K213 PolarHBondContact OG-N 2.91Å; S211-K213 VanDerWaalsContact OG-N 3.11Å |
| 214 | E | 91.9 | Very high | 94.3 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 30% | 0.304 | 22% | 0.221 | S | C | . | . | trans | -115.1 | 85.6 | -175.1 | -63.3 | 178.8 | -135.6 | 0 | 0 | 110.6 | H178 S211 G216 V217 L218 | H178-E214 IonicContact ND1-OE1 3.38Å; H178-E214 PolarHBondContact ND1-OE1 3.06Å; S211-E214 PolarHBondContact O-N 3.4Å; E214-G216 PolarHBondContact O-N 3.11Å; E214-G216 VanDerWaalsContact O-N 3.17Å; E214-V217 HydrophobicContact CB-CB 4.09Å; E214-V217 HydrophobicContact CB-CG2 3.69Å; E214-V217 WeakPolarHBondContact O-CB 3.45Å; E214-V217 PolarHBondContact O-N 3.35Å; E214-V217 WeakPolarHBondContact OE2-CG2 3.44Å; E214-L218 PolarHBondContact O-N 3.28Å; E214-L218 VanDerWaalsContact O-N 3.16Å | ||
| 215 | D | 90.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 42.9 Ų | 42.9 | 52% | 0.524 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -56.4 | -35.3 | -176.6 | -76.1 | -40.4 | 0 | 0 | 0 | 113.6 | V217 L218 K219 | D215-V217 VanDerWaalsContact C-N 3.28Å; D215-V217 PolarHBondContact O-N 3.36Å; D215-L218 PolarHBondContact O-N 3.01Å; D215-K219 WeakPolarHBondContact O-CG 3.4Å; D215-K219 PolarHBondContact O-N 3.07Å |
| 216 | G | 91.6 | Very high | 94 | Very high | 49 Ų | 49 | 44 Ų | 44 | 51% | 0.505 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -38.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | E214 R220 | E214-G216 PolarHBondContact O-N 3.11Å; E214-G216 VanDerWaalsContact O-N 3.17Å; G216-R220 WeakPolarHBondContact O-CG 3.41Å; G216-R220 PolarHBondContact O-N 3.09Å |
| 217 | V | 92.4 | Very high | 93.8 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 5% | 0.048 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.4 | -42.7 | 177.6 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | F209 E214 D215 K219 R220 I221 P245 | F209-V217 WeakPolarHBondContact O-CG1 3.41Å; E214-V217 HydrophobicContact CB-CB 4.09Å; E214-V217 HydrophobicContact CB-CG2 3.69Å; E214-V217 WeakPolarHBondContact O-CB 3.45Å; E214-V217 PolarHBondContact O-N 3.35Å; E214-V217 WeakPolarHBondContact OE2-CG2 3.44Å; D215-V217 VanDerWaalsContact C-N 3.28Å; D215-V217 PolarHBondContact O-N 3.36Å; V217-K219 VanDerWaalsContact C-N 3.3Å; V217-K219 PolarHBondContact O-N 3.13Å; V217-R220 WeakPolarHBondContact O-CA 3.42Å; V217-R220 WeakPolarHBondContact O-CB 3.28Å; V217-R220 PolarHBondContact O-N 3.11Å; V217-I221 WeakPolarHBondContact O-CG1 3.24Å; V217-I221 PolarHBondContact O-N 3.01Å; V217-P245 HydrophobicContact CG1-CB 4.1Å; V217-P245 HydrophobicContact CG1-CG 4.45Å; V217-P245 HydrophobicContact CG2-CB 4.27Å; V217-P245 HydrophobicContact CG2-CG 3.76Å |
| 218 | L | 92.7 | Very high | 93.6 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.3 | -40.1 | 176.1 | -68.5 | 179 | 0 | 0 | 0 | 112.4 | I36 S211 E214 D215 R220 I221 R222 | I36-L218 HydrophobicContact CD1-CD2 4.12Å; S211-L218 WeakPolarHBondContact O-CG 3.39Å; E214-L218 PolarHBondContact O-N 3.28Å; E214-L218 VanDerWaalsContact O-N 3.16Å; D215-L218 PolarHBondContact O-N 3.01Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 2.61Å; L218-I221 PolarHBondContact O-N 2.83Å; L218-R222 WeakPolarHBondContact O-CB 3.36Å; L218-R222 PolarHBondContact O-N 3.16Å |
| 219 | K | 92.1 | Very high | 93.4 | Very high | 158 Ų | 158 | 47 Ų | 47 | 69% | 0.687 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60 | -39.9 | 173.7 | -73.5 | 177 | -177.4 | 179.2 | 0 | 111.9 | D215 V217 R222 A223 | D215-K219 WeakPolarHBondContact O-CG 3.4Å; D215-K219 PolarHBondContact O-N 3.07Å; V217-K219 VanDerWaalsContact C-N 3.3Å; V217-K219 PolarHBondContact O-N 3.13Å; K219-R222 PolarHBondContact O-N 2.9Å; K219-A223 PolarHBondContact O-N 2.97Å |
| 220 | R | 92 | Very high | 93 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 37% | 0.37 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.6 | -46.1 | 175.2 | -66.7 | -173.3 | -58.8 | -175.7 | 5.9 | 112.2 | G216 V217 L218 R222 A223 V224 | G216-R220 WeakPolarHBondContact O-CG 3.41Å; G216-R220 PolarHBondContact O-N 3.09Å; V217-R220 WeakPolarHBondContact O-CA 3.42Å; V217-R220 WeakPolarHBondContact O-CB 3.28Å; V217-R220 PolarHBondContact O-N 3.11Å; L218-R220 VanDerWaalsContact C-N 3.3Å; L218-R220 PolarHBondContact O-N 2.61Å; R220-R222 PolarHBondContact O-N 3.35Å; R220-A223 WeakPolarHBondContact O-CB 3.39Å; R220-A223 PolarHBondContact O-N 3.09Å; R220-V224 PolarHBondContact O-N 3.07Å |
| 221 | I | 94.6 | Very high | 92.5 | Very high | 8 Ų | 8 | 53.1 Ų | 53.1 | 4% | 0.041 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56.8 | -43.2 | 174.6 | -62.7 | -52.3 | 0 | 0 | 0 | 110.5 | I36 L174 Y208 V217 L218 A223 V224 L225 | I36-I221 HydrophobicContact CG2-CG2 4.37Å; L174-I221 HydrophobicContact CD1-CD1 3.61Å; L174-I221 HydrophobicContact CD1-CG1 4.19Å; L174-I221 HydrophobicContact CD1-CG2 4.01Å; L174-I221 HydrophobicContact CD2-CG2 4.41Å; Y208-I221 VanDerWaalsContact CB-CD1 3.43Å; Y208-I221 HydrophobicContact CG-CD1 4.24Å; V217-I221 WeakPolarHBondContact O-CG1 3.24Å; V217-I221 PolarHBondContact O-N 3.01Å; L218-I221 PolarHBondContact O-N 2.83Å; I221-A223 VanDerWaalsContact C-N 3.33Å; I221-A223 PolarHBondContact O-N 3.22Å; I221-V224 PolarHBondContact O-N 3.06Å; I221-L225 HydrophobicContact CG2-CD1 3.97Å; I221-L225 HydrophobicContact CG2-CG 4.23Å; I221-L225 WeakPolarHBondContact O-CG 3.31Å; I221-L225 PolarHBondContact O-N 3.49Å |
| 222 | R | 93.3 | Very high | 91.6 | Very high | 76 Ų | 76 | 54.3 Ų | 54.3 | 29% | 0.287 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -39.4 | 176.2 | -179.7 | 166.8 | -176.6 | -145.8 | -10.6 | 112.6 | F40 E42 L218 K219 R220 L225 N226 | F40-R222 HydrophobicContact CD2-CG 4.3Å; F40-R222 PolarHBondContact O-NE 3.45Å; E42-R222 VanDerWaalsContact CG-NH1 3.31Å; E42-R222 VanDerWaalsContact CG-NH2 3.29Å; E42-R222 IonicContact OE1-CZ 3.74Å; E42-R222 IonicContact OE1-NH1 3.76Å; E42-R222 PolarHBondContact OE1-NH1 3Å; E42-R222 IonicContact OE1-NH2 2.85Å; E42-R222 PolarHBondContact OE1-NH2 3.37Å; E42-R222 IonicContact OE2-CZ 3.97Å; E42-R222 IonicContact OE2-NH1 2.61Å; E42-R222 IonicContact OE2-NH2 3.11Å; E42-R222 PolarHBondContact OE2-NH2 2.92Å; L218-R222 WeakPolarHBondContact O-CB 3.36Å; L218-R222 PolarHBondContact O-N 3.16Å; K219-R222 PolarHBondContact O-N 2.9Å; R220-R222 PolarHBondContact O-N 3.35Å; R222-L225 PolarHBondContact O-N 3.22Å; R222-N226 WeakPolarHBondContact CG-ND2 3.26Å; R222-N226 WeakPolarHBondContact O-CB 3.25Å; R222-N226 PolarHBondContact O-N 3.46Å; R222-N226 PolarHBondContact O-ND2 2.81Å |
| 223 | A | 92.4 | Very high | 90.9 | Very high | 33 Ų | 33 | 59 Ų | 59 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.4 | K219 R220 I221 N226 H227 | K219-A223 PolarHBondContact O-N 2.97Å; R220-A223 WeakPolarHBondContact O-CB 3.39Å; R220-A223 PolarHBondContact O-N 3.09Å; I221-A223 VanDerWaalsContact C-N 3.33Å; I221-A223 PolarHBondContact O-N 3.22Å; A223-N226 WeakPolarHBondContact O-CB 3.44Å; A223-N226 PolarHBondContact O-N 2.87Å; A223-H227 PolarHBondContact O-N 3.23Å |
| 224 | V | 94.5 | Very high | 90.1 | Very high | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 111.6 | Y208 R220 I221 N226 H227 I228 | Y208-V224 HydrophobicContact CD1-CG2 4.19Å; Y208-V224 HydrophobicContact CD2-CG1 3.98Å; Y208-V224 HydrophobicContact CE1-CG1 4.43Å; Y208-V224 HydrophobicContact CE1-CG2 3.77Å; Y208-V224 HydrophobicContact CE2-CG1 3.54Å; Y208-V224 HydrophobicContact CE2-CG2 4.39Å; R220-V224 PolarHBondContact O-N 3.07Å; I221-V224 PolarHBondContact O-N 3.06Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 3.06Å; V224-H227 WeakPolarHBondContact O-CB 3.33Å; V224-H227 PolarHBondContact O-N 3.38Å; V224-H227 VanDerWaalsContact O-N 3.13Å; V224-I228 HydrophobicContact CG1-CD1 4.01Å; V224-I228 WeakPolarHBondContact O-CG1 3.31Å; V224-I228 PolarHBondContact O-N 3.44Å |
| 225 | L | 95.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.026 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.6 | -35.4 | 177 | -67.9 | 178.1 | 0 | 0 | 0 | 112.2 | F25 I36 F40 I101 I221 R222 I228 A229 | F25-L225 HydrophobicContact CE1-CD1 4.48Å; F25-L225 HydrophobicContact CE1-CD2 4.36Å; F25-L225 HydrophobicContact CZ-CD1 4.13Å; F25-L225 HydrophobicContact CZ-CD2 3.88Å; I36-L225 HydrophobicContact CG2-CD1 3.72Å; F40-L225 HydrophobicContact CB-CD1 3.79Å; F40-L225 HydrophobicContact CD1-CB 4.43Å; F40-L225 HydrophobicContact CD1-CD1 4.39Å; F40-L225 HydrophobicContact CD2-CB 3.59Å; F40-L225 HydrophobicContact CD2-CD1 4.24Å; F40-L225 HydrophobicContact CE2-CB 3.73Å; F40-L225 HydrophobicContact CG-CB 3.99Å; F40-L225 HydrophobicContact CG-CD1 3.89Å; F40-L225 HydrophobicContact CZ-CB 4.19Å; I101-L225 HydrophobicContact CD1-CD2 3.51Å; I221-L225 HydrophobicContact CG2-CD1 3.97Å; I221-L225 HydrophobicContact CG2-CG 4.23Å; I221-L225 WeakPolarHBondContact O-CG 3.31Å; I221-L225 PolarHBondContact O-N 3.49Å; R222-L225 PolarHBondContact O-N 3.22Å; L225-I228 PolarHBondContact O-N 3.4Å; L225-A229 WeakPolarHBondContact O-CB 3.36Å; L225-A229 PolarHBondContact O-N 3.43Å |
| 226 | N | 92.8 | Very high | 88.3 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 17% | 0.166 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.3 | -38.3 | 172.3 | -87.5 | -70.4 | 0 | 0 | 0 | 112.4 | F40 R222 A223 V224 F230 | F40-N226 HydrophobicContact CE2-CB 4.47Å; R222-N226 WeakPolarHBondContact CG-ND2 3.26Å; R222-N226 WeakPolarHBondContact O-CB 3.25Å; R222-N226 PolarHBondContact O-N 3.46Å; R222-N226 PolarHBondContact O-ND2 2.81Å; A223-N226 WeakPolarHBondContact O-CB 3.44Å; A223-N226 PolarHBondContact O-N 2.87Å; V224-N226 VanDerWaalsContact C-N 3.31Å; V224-N226 PolarHBondContact O-N 3.06Å; N226-F230 WeakPolarHBondContact O-CB 3.19Å; N226-F230 PolarHBondContact O-N 2.87Å; N226-F230 WeakPolarHBondContact OD1-CD2 3.31Å |
| 227 | H | 91.8 | Very high | 88 | Confident | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.296 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 173.5 | 170.6 | 67 | 0 | 0 | 0 | 110.4 | A223 V224 N231 G232 | A223-H227 PolarHBondContact O-N 3.23Å; V224-H227 WeakPolarHBondContact O-CB 3.33Å; V224-H227 PolarHBondContact O-N 3.38Å; V224-H227 VanDerWaalsContact O-N 3.13Å; H227-N231 WeakPolarHBondContact O-CA 3.3Å; H227-N231 PolarHBondContact O-N 2.75Å; H227-G232 PolarHBondContact ND1-O 2.87Å; H227-G232 PolarHBondContact O-N 3.44Å |
| 228 | I | 93.5 | Very high | 88 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 11% | 0.113 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 179.6 | -65.3 | 166.1 | 0 | 0 | 0 | 112 | L23 H99 V224 L225 | L23-I228 HydrophobicContact CD1-CG2 4.02Å; L23-I228 HydrophobicContact CD2-CG2 4.1Å; L23-I228 HydrophobicContact CG-CG2 4.02Å; H99-I228 HydrophobicContact CB-CG2 3.79Å; H99-I228 VanDerWaalsContact CG-CG2 3.47Å; H99-I228 WeakPolarHBondContact ND1-CG2 3.42Å; V224-I228 HydrophobicContact CG1-CD1 4.01Å; V224-I228 WeakPolarHBondContact O-CG1 3.31Å; V224-I228 PolarHBondContact O-N 3.44Å; L225-I228 PolarHBondContact O-N 3.4Å |
| 229 | A | 93.7 | Very high | 88 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.6 | -36.4 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | N21 L23 F40 S71 L225 | N21-A229 PolarHBondContact ND2-O 2.8Å; L23-A229 HydrophobicContact CD1-CB 4.38Å; L23-A229 HydrophobicContact CD2-CB 4.03Å; F40-A229 HydrophobicContact CE1-CB 4.28Å; F40-A229 HydrophobicContact CZ-CB 3.63Å; S71-A229 WeakPolarHBondContact OG-CB 3.47Å; L225-A229 WeakPolarHBondContact O-CB 3.36Å; L225-A229 PolarHBondContact O-N 3.43Å |
| 230 | F | 91 | Very high | 88.1 | Confident | 24 Ų | 24 | 56.8 Ų | 56.8 | 11% | 0.105 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -127.1 | 12.4 | -168 | -53.9 | -67.7 | 0 | 0 | 0 | 114.3 | F40 K60 V69 N226 G232 | F40-F230 HydrophobicContact CE2-CE2 4.27Å; F40-F230 AromaticContact CZ-CE2 3.8Å; F40-F230 HydrophobicContact CZ-CE2 3.8Å; F40-F230 HydrophobicContact CZ-CZ 4.5Å; K60-F230 HydrophobicContact CB-CB 4.35Å; K60-F230 HydrophobicContact CB-CD1 3.7Å; K60-F230 HydrophobicContact CB-CD2 4.22Å; K60-F230 HydrophobicContact CB-CE1 3.99Å; K60-F230 HydrophobicContact CB-CE2 4.47Å; K60-F230 HydrophobicContact CB-CG 3.83Å; K60-F230 HydrophobicContact CB-CZ 4.36Å; K60-F230 HydrophobicContact CD-CB 4.13Å; K60-F230 HydrophobicContact CD-CD2 4.11Å; K60-F230 HydrophobicContact CD-CG 4.11Å; V69-F230 HydrophobicContact CB-CD1 4.05Å; V69-F230 HydrophobicContact CG1-CB 4.45Å; V69-F230 HydrophobicContact CG1-CD1 3.84Å; N226-F230 WeakPolarHBondContact O-CB 3.19Å; N226-F230 PolarHBondContact O-N 2.87Å; N226-F230 WeakPolarHBondContact OD1-CD2 3.31Å; F230-G232 PolarHBondContact O-N 2.83Å |
| 231 | N | 83.9 | Confident | 88 | Confident | 108 Ų | 108 | 57.2 Ų | 57.2 | 58% | 0.578 | 30% | 0.297 | S | S | * | . | trans | 51.8 | 38.6 | -174 | -57.5 | -26.8 | 0 | 0 | 0 | 112 | H227 | H227-N231 WeakPolarHBondContact O-CA 3.3Å; H227-N231 PolarHBondContact O-N 2.75Å | ||
| 232 | G | 77.2 | Confident | 87.5 | Confident | 26 Ų | 26 | 58.5 Ų | 58.5 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | trans | -64.8 | 179.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H227 F230 D234 | H227-G232 PolarHBondContact ND1-O 2.87Å; H227-G232 PolarHBondContact O-N 3.44Å; F230-G232 PolarHBondContact O-N 2.83Å; G232-D234 PolarHBondContact O-N 2.85Å | ||
| 233 | K | 78.5 | Confident | 87.2 | Confident | 181 Ų | 181 | 57.2 Ų | 57.2 | 79% | 0.787 | 32% | 0.316 | S | S | * | . | trans | -69.6 | 133.2 | 169.7 | -66.7 | -175.8 | 178.5 | -176.9 | 0 | 109.5 | L235 | K233-L235 PolarHBondContact O-N 3.17Š| ||
| 234 | D | 75.2 | Confident | 87.3 | Confident | 75 Ų | 75 | 60.3 Ų | 60.3 | 40% | 0.401 | 32% | 0.323 | S | S | . | . | trans | -72.4 | 122.8 | 167.4 | -168.1 | -3.7 | 0 | 0 | 0 | 108.5 | G232 S236 | G232-D234 PolarHBondContact O-N 2.85Å; D234-S236 VanDerWaalsContact OD1-CB 3.28Å; D234-S236 WeakPolarHBondContact OD1-CB 3.48Å; D234-S236 PolarHBondContact OD1-N 2.83Å; D234-S236 PolarHBondContact OD1-OG 3.32Å; D234-S236 PolarHBondContact OD2-OG 3.19Å | ||
| 235 | L | 73.8 | Confident | 87.3 | Confident | 125 Ų | 125 | 60.4 Ų | 60.4 | 65% | 0.654 | 33% | 0.325 | S | S | * | . | trans | -121.6 | 17.8 | 179.9 | -63.5 | 174 | 0 | 0 | 0 | 110.6 | K233 N237 | K233-L235 PolarHBondContact O-N 3.17Å; L235-N237 PolarHBondContact O-N 2.87Å | ||
| 236 | S | 72.3 | Confident | 87.4 | Confident | 25 Ų | 25 | 60.3 Ų | 60.3 | 18% | 0.175 | 32% | 0.324 | C | S | . | . | trans | -73.9 | 112.9 | -178.1 | 59.8 | 0 | 0 | 0 | 0 | 110.7 | D234 P249 | D234-S236 VanDerWaalsContact OD1-CB 3.28Å; D234-S236 WeakPolarHBondContact OD1-CB 3.48Å; D234-S236 PolarHBondContact OD1-N 2.83Å; D234-S236 PolarHBondContact OD1-OG 3.32Å; D234-S236 PolarHBondContact OD2-OG 3.19Å; S236-P249 WeakPolarHBondContact OG-CG 3.4Å | ||
| 237 | N | 84.4 | Confident | 87.6 | Confident | 126 Ų | 126 | 59.2 Ų | 59.2 | 67% | 0.674 | 32% | 0.319 | S | S | * | . | trans | -75.9 | 131.2 | 167.2 | -71 | -17.6 | 0 | 0 | 0 | 109 | L235 Q239 A247 | L235-N237 PolarHBondContact O-N 2.87Å; N237-Q239 PolarHBondContact O-N 2.91Å; N237-A247 WeakPolarHBondContact O-CB 3.38Å | ||
| 238 | V | 92.5 | Very high | 87.8 | Confident | 76 Ų | 76 | 56.4 Ų | 56.4 | 46% | 0.461 | 31% | 0.306 | S | S | . | . | trans | -67.4 | 129.8 | 179.4 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | M240 A247 P249 V252 | V238-M240 HydrophobicContact CG1-CE 3.82Å; V238-M240 HydrophobicContact CG1-CG 4.09Å; V238-M240 HydrophobicContact CG1-SD 4.46Å; V238-A247 CarbonylContact C-O 3.57Å; V238-A247 VanDerWaalsContact CA-O 3.27Å; V238-A247 WeakPolarHBondContact CA-O 3.36Å; V238-P249 HydrophobicContact CG2-CG 4.45Å; V238-V252 HydrophobicContact CG1-CG1 4Å; V238-V252 HydrophobicContact CG2-CG1 4.07Å | ||
| 239 | Q | 94.2 | Very high | 87.9 | Confident | 38 Ų | 38 | 56.4 Ų | 56.4 | 18% | 0.178 | 31% | 0.308 | C | S | . | . | B | Isolated β-bridge | trans | -140.9 | 117.9 | 174.5 | -177.9 | 51.9 | -96.2 | 0 | 0 | 109.8 | N237 E241 K244 P245 L246 A247 I248 | N237-Q239 PolarHBondContact O-N 2.91Å; Q239-E241 VanDerWaalsContact OE1-CB 3.27Å; Q239-K244 HydrophobicContact CG-CB 3.81Å; Q239-K244 HydrophobicContact CG-CD 4.44Å; Q239-P245 WeakPolarHBondContact CG-O 3.19Å; Q239-L246 WeakPolarHBondContact O-CA 3.42Å; Q239-A247 HydrophobicContact CB-CB 4.21Å; Q239-A247 PolarHBondContact N-O 2.82Å; Q239-A247 PolarHBondContact O-N 2.82Å; Q239-I248 WeakPolarHBondContact O-CG1 3.33Å |
| 240 | M | 92.8 | Very high | 87.9 | Confident | 41 Ų | 41 | 58.9 Ų | 58.9 | 20% | 0.202 | 32% | 0.323 | C | S | . | . | trans | -118.2 | -6.3 | -174.4 | -66.3 | -178.8 | 173.8 | 0 | 0 | 113.7 | R197 V238 I248 V252 D253 | R197-M240 PolarHBondContact NH1-O 2.82Å; V238-M240 HydrophobicContact CG1-CE 3.82Å; V238-M240 HydrophobicContact CG1-CG 4.09Å; V238-M240 HydrophobicContact CG1-SD 4.46Å; M240-I248 HydrophobicContact CB-CD1 4.34Å; M240-I248 HydrophobicContact CE-CG2 3.87Å; M240-I248 HydrophobicContact CG-CD1 3.72Å; M240-I248 HydrophobicContact CG-CG1 3.81Å; M240-V252 HydrophobicContact CE-CB 4.36Å; M240-V252 HydrophobicContact CE-CG1 3.65Å; M240-D253 HydrophobicContact CE-CB 4.34Å | ||
| 241 | E | 90.7 | Very high | 87.9 | Confident | 107 Ų | 107 | 59.2 Ų | 59.2 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | trans | -74.9 | 126.9 | -176.7 | -64.2 | 169.7 | -168.9 | 0 | 0 | 111.4 | Q239 G243 K244 | Q239-E241 VanDerWaalsContact OE1-CB 3.27Å; E241-G243 PolarHBondContact O-N 3.42Å; E241-G243 VanDerWaalsContact O-N 3.07Å; E241-K244 PolarHBondContact O-N 2.97Å; E241-K244 IonicContact OE1-NZ 2.77Å; E241-K244 WeakPolarHBondContact OE2-CD 3.26Å; E241-K244 VanDerWaalsContact OE2-CE 3.32Å; E241-K244 WeakPolarHBondContact OE2-CE 3.17Å; E241-K244 IonicContact OE2-NZ 3.44Å; E241-K244 PolarHBondContact OE2-NZ 2.95Å | ||
| 242 | T | 84.7 | Confident | 88.4 | Confident | 36 Ų | 36 | 57.1 Ų | 57.1 | 22% | 0.221 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -30.9 | -179.9 | -55.7 | 0 | 0 | 0 | 0 | 114 | Q189 N190 C193 K244 | Q189-T242 HydrophobicContact CB-CG2 4.09Å; N190-T242 HydrophobicContact CB-CG2 4.43Å; C193-T242 HydrophobicContact CB-CG2 3.95Å; T242-K244 VanDerWaalsContact C-N 3.3Å; T242-K244 PolarHBondContact O-N 3.49Å |
| 243 | G | 87.1 | Confident | 89.2 | Confident | 49 Ų | 49 | 56.2 Ų | 56.2 | 51% | 0.505 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.6 | -179 | 0 | 0 | 0 | 0 | 0 | 115 | E241 | E241-G243 PolarHBondContact O-N 3.42Å; E241-G243 VanDerWaalsContact O-N 3.07Å |
| 244 | K | 93.1 | Very high | 90.1 | Very high | 97 Ų | 97 | 48.1 Ų | 48.1 | 42% | 0.422 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -124.7 | 155.7 | 179.1 | -69.7 | 174.8 | -174.5 | 151.1 | 0 | 109.4 | Q239 E241 T242 L246 | Q239-K244 HydrophobicContact CG-CB 3.81Å; Q239-K244 HydrophobicContact CG-CD 4.44Å; E241-K244 PolarHBondContact O-N 2.97Å; E241-K244 IonicContact OE1-NZ 2.77Å; E241-K244 WeakPolarHBondContact OE2-CD 3.26Å; E241-K244 VanDerWaalsContact OE2-CE 3.32Å; E241-K244 WeakPolarHBondContact OE2-CE 3.17Å; E241-K244 IonicContact OE2-NZ 3.44Å; E241-K244 PolarHBondContact OE2-NZ 2.95Å; T242-K244 VanDerWaalsContact C-N 3.3Å; T242-K244 PolarHBondContact O-N 3.49Å; K244-L246 PolarHBondContact O-N 3.04Å |
| 245 | P | 95.5 | Very high | 91 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 8% | 0.084 | 27% | 0.267 | C | S | . | . | trans | -58.4 | 117.1 | 173.8 | -17.6 | 26.3 | 0 | 0 | 0 | 110.3 | F209 V217 Q239 | F209-P245 HydrophobicContact CB-CB 4.03Å; V217-P245 HydrophobicContact CG1-CB 4.1Å; V217-P245 HydrophobicContact CG1-CG 4.45Å; V217-P245 HydrophobicContact CG2-CB 4.27Å; V217-P245 HydrophobicContact CG2-CG 3.76Å; Q239-P245 WeakPolarHBondContact CG-O 3.19Å | ||
| 246 | L | 97.2 | Very high | 91.9 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.01 | 27% | 0.269 | C | S | . | . | trans | -58.1 | 143.2 | 178.4 | -62 | -174.1 | 0 | 0 | 0 | 111 | C193 R197 Y208 F209 Q239 K244 | C193-L246 HydrophobicContact CB-CD1 4.37Å; R197-L246 HydrophobicContact CG-CD1 3.73Å; Y208-L246 CarbonylContact C-O 3.53Å; Y208-L246 VanDerWaalsContact CA-O 3.28Å; Y208-L246 WeakPolarHBondContact CA-O 3.25Å; F209-L246 HydrophobicContact CB-CB 4.49Å; F209-L246 HydrophobicContact CD1-CB 4.28Å; F209-L246 HydrophobicContact CD2-CB 3.9Å; F209-L246 HydrophobicContact CD2-CD1 4.12Å; F209-L246 HydrophobicContact CD2-CG 3.68Å; F209-L246 HydrophobicContact CE1-CD1 4.14Å; F209-L246 HydrophobicContact CE2-CB 4.19Å; F209-L246 HydrophobicContact CE2-CD1 3.53Å; F209-L246 HydrophobicContact CE2-CG 3.59Å; F209-L246 HydrophobicContact CG-CB 3.96Å; F209-L246 HydrophobicContact CG-CG 4.26Å; F209-L246 HydrophobicContact CZ-CB 4.5Å; F209-L246 HydrophobicContact CZ-CD1 3.55Å; F209-L246 HydrophobicContact CZ-CG 4.08Å; F209-L246 PolarHBondContact N-O 2.77Å; Q239-L246 WeakPolarHBondContact O-CA 3.42Å; K244-L246 PolarHBondContact O-N 3.04Å | ||
| 247 | A | 96.9 | Very high | 93 | Very high | 8 Ų | 8 | 48.7 Ų | 48.7 | 7% | 0.066 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 97.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | V207 Y208 N237 V238 Q239 | V207-A247 CarbonylContact O-C 3.59Å; V207-A247 WeakPolarHBondContact O-CA 3.34Å; Y208-A247 HydrophobicContact CD1-CB 3.8Å; Y208-A247 HydrophobicContact CE1-CB 4.12Å; N237-A247 WeakPolarHBondContact O-CB 3.38Å; V238-A247 CarbonylContact C-O 3.57Å; V238-A247 VanDerWaalsContact CA-O 3.27Å; V238-A247 WeakPolarHBondContact CA-O 3.36Å; Q239-A247 HydrophobicContact CB-CB 4.21Å; Q239-A247 PolarHBondContact N-O 2.82Å; Q239-A247 PolarHBondContact O-N 2.82Å |
| 248 | I | 96.6 | Very high | 93.5 | Very high | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 106.8 | -172.1 | -51.2 | 173.6 | 0 | 0 | 0 | 107.9 | R197 S206 V207 Q239 M240 V252 D253 | R197-I248 HydrophobicContact CG-CD1 3.81Å; S206-I248 CarbonylContact C-O 3.55Å; S206-I248 VanDerWaalsContact CA-O 3.24Å; S206-I248 WeakPolarHBondContact CA-O 3.29Å; S206-I248 WeakPolarHBondContact CB-O 3.47Å; V207-I248 HydrophobicContact CG1-CB 3.83Å; V207-I248 HydrophobicContact CG1-CD1 3.99Å; V207-I248 HydrophobicContact CG1-CG1 4.14Å; V207-I248 PolarHBondContact N-O 2.81Å; V207-I248 PolarHBondContact O-N 2.9Å; Q239-I248 WeakPolarHBondContact O-CG1 3.33Å; M240-I248 HydrophobicContact CB-CD1 4.34Å; M240-I248 HydrophobicContact CE-CG2 3.87Å; M240-I248 HydrophobicContact CG-CD1 3.72Å; M240-I248 HydrophobicContact CG-CG1 3.81Å; I248-V252 HydrophobicContact CG2-CB 4.32Å; I248-D253 HydrophobicContact CG2-CB 3.99Å |
| 249 | P | 95.2 | Very high | 93.4 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | trans | -63.9 | 162.2 | 172.5 | -21.9 | 34.6 | 0 | 0 | 0 | 112.2 | S236 V238 G251 V252 | S236-P249 WeakPolarHBondContact OG-CG 3.4Å; V238-P249 HydrophobicContact CG2-CG 4.45Å; P249-G251 PolarHBondContact O-N 3.12Å; P249-V252 HydrophobicContact CB-CG2 3.93Å; P249-V252 HydrophobicContact CG-CG2 4.28Å; P249-V252 PolarHBondContact O-N 3Å | ||
| 250 | V | 93.7 | Very high | 93.1 | Very high | 51 Ų | 51 | 42.8 Ų | 42.8 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 134.3 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 110.1 | I154 G204 V252 | I154-V250 HydrophobicContact CG1-CG1 4.02Å; G204-V250 WeakPolarHBondContact O-CG1 3.47Å; V250-V252 VanDerWaalsContact C-N 3.31Å; V250-V252 PolarHBondContact O-N 3.03Å |
| 251 | G | 91.2 | Very high | 92.7 | Very high | 31 Ų | 31 | 41 Ų | 41 | 32% | 0.32 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.3 | 6.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | P249 | P249-G251 PolarHBondContact O-N 3.12Š|
| 252 | V | 93.3 | Very high | 92 | Very high | 65 Ų | 65 | 37 Ų | 37 | 39% | 0.394 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -91 | -30.2 | 177.5 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | V238 M240 I248 P249 V250 | V238-V252 HydrophobicContact CG1-CG1 4Å; V238-V252 HydrophobicContact CG2-CG1 4.07Å; M240-V252 HydrophobicContact CE-CB 4.36Å; M240-V252 HydrophobicContact CE-CG1 3.65Å; I248-V252 HydrophobicContact CG2-CB 4.32Å; P249-V252 HydrophobicContact CB-CG2 3.93Å; P249-V252 HydrophobicContact CG-CG2 4.28Å; P249-V252 PolarHBondContact O-N 3Å; V250-V252 VanDerWaalsContact C-N 3.31Å; V250-V252 PolarHBondContact O-N 3.03Å |
| 253 | D | 94.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 40.4 Ų | 40.4 | 3% | 0.032 | 26% | 0.256 | C | S | . | . | trans | -82.9 | 168.9 | 179.3 | -144.9 | -17.8 | 0 | 0 | 0 | 112.1 | H158 R197 H201 M240 I248 | H158-D253 PolarHBondContact NE2-O 3.42Å; H158-D253 VanDerWaalsContact NE2-O 3.09Å; R197-D253 IonicContact CZ-OD1 2.71Å; R197-D253 IonicContact CZ-OD2 2.72Å; R197-D253 IonicContact NE-OD1 3.86Å; R197-D253 IonicContact NE-OD2 2.76Å; R197-D253 PolarHBondContact NE-OD2 3.07Å; R197-D253 VanDerWaalsContact NH2-CG 3.33Å; R197-D253 IonicContact NH2-OD1 2.8Å; R197-D253 PolarHBondContact NH2-OD1 3.05Å; R197-D253 IonicContact NH2-OD2 3.88Å; R197-D253 PolarHBondContact NH2-OD2 3.41Å; R197-D253 VanDerWaalsContact NH2-OD2 3.11Å; H201-D253 PolarHBondContact CE1-O 3.44Å; M240-D253 HydrophobicContact CE-CB 4.34Å; I248-D253 HydrophobicContact CG2-CB 3.99Å | ||
| 254 | S | 95.9 | Very high | 89.9 | Confident | 11 Ų | 11 | 38.4 Ų | 38.4 | 8% | 0.077 | 24% | 0.235 | C | C | . | . | trans | -146.6 | 154.9 | 172.8 | 68.3 | 0 | 0 | 0 | 0 | 111.9 | D160 S256 N257 I258 | D160-S254 WeakPolarHBondContact OD2-CA 3.31Å; D160-S254 WeakPolarHBondContact OD2-CB 3.32Å; S254-S256 PolarHBondContact O-N 3.08Å; S254-S256 PolarHBondContact OG-OG 3.41Å; S254-N257 PolarHBondContact O-N 3.27Å; S254-N257 VanDerWaalsContact O-N 3.09Å; S254-N257 WeakPolarHBondContact OG-CB 3.44Å; S254-N257 PolarHBondContact OG-N 2.92Å; S254-N257 VanDerWaalsContact OG-N 3.16Å; S254-I258 VanDerWaalsContact O-CG1 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.47Å; S254-I258 PolarHBondContact O-N 2.76Å | ||
| 255 | F | 94.9 | Very high | 88 | Confident | 36 Ų | 36 | 41.1 Ų | 41.1 | 16% | 0.158 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -32.2 | 175.1 | -67.5 | -49.5 | 0 | 0 | 0 | 112.2 | D160 L163 L164 F198 H201 Y202 I258 G259 | D160-F255 HydrophobicContact CB-CD2 3.6Å; D160-F255 HydrophobicContact CB-CE2 3.79Å; D160-F255 PolarHBondContact OD2-N 2.96Å; L163-F255 HydrophobicContact CB-CD2 4.07Å; L163-F255 HydrophobicContact CB-CE2 3.55Å; L163-F255 HydrophobicContact CD1-CD2 4.02Å; L163-F255 HydrophobicContact CD1-CE2 4.34Å; L164-F255 HydrophobicContact CD2-CE2 3.8Å; L164-F255 HydrophobicContact CD2-CZ 3.71Å; F198-F255 AromaticContact CD2-CD1 3.91Å; F198-F255 HydrophobicContact CD2-CD1 3.91Å; F198-F255 AromaticContact CD2-CE1 3.53Å; F198-F255 HydrophobicContact CD2-CE1 3.53Å; F198-F255 HydrophobicContact CE2-CD1 4.09Å; F198-F255 AromaticContact CE2-CE1 3.48Å; F198-F255 HydrophobicContact CE2-CE1 3.48Å; F198-F255 VanDerWaalsContact CE2-CE1 3.48Å; F198-F255 HydrophobicContact CE2-CZ 4.23Å; H201-F255 AromaticContact CD2-CD1 3.78Å; H201-F255 AromaticContact CD2-CE1 3.6Å; H201-F255 AromaticContact CD2-CZ 3.79Å; Y202-F255 HydrophobicContact CD2-CZ 4.3Å; F255-I258 HydrophobicContact CD1-CD1 4.4Å; F255-G259 PolarHBondContact O-N 2.84Å |
| 256 | S | 93.6 | Very high | 86.1 | Confident | 97 Ų | 97 | 46 Ų | 46 | 68% | 0.678 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -62.7 | -39.8 | 173 | 56.3 | 0 | 0 | 0 | 0 | 112.8 | S254 | S254-S256 PolarHBondContact O-N 3.08Å; S254-S256 PolarHBondContact OG-OG 3.41Å |
| 257 | N | 94.1 | Very high | 84 | Confident | 105 Ų | 105 | 52.9 Ų | 52.9 | 56% | 0.561 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -76.8 | -32.7 | 178.7 | -82.8 | -5.9 | 0 | 0 | 0 | 113.3 | S254 | S254-N257 PolarHBondContact O-N 3.27Å; S254-N257 VanDerWaalsContact O-N 3.09Å; S254-N257 WeakPolarHBondContact OG-CB 3.44Å; S254-N257 PolarHBondContact OG-N 2.92Å; S254-N257 VanDerWaalsContact OG-N 3.16Å |
| 258 | I | 94.6 | Very high | 81.8 | Confident | 1 Ų | 1 | 58.2 Ų | 58.2 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -71 | -41.8 | 175.2 | -62.4 | 162.8 | 0 | 0 | 0 | 109.7 | K194 R197 F198 H201 S254 F255 W280 | K194-I258 HydrophobicContact CB-CG2 4.37Å; K194-I258 WeakPolarHBondContact CE-O 3.4Å; K194-I258 PolarHBondContact NZ-O 2.77Å; R197-I258 HydrophobicContact CB-CD1 4.21Å; R197-I258 HydrophobicContact CB-CG1 4.07Å; F198-I258 HydrophobicContact CB-CG2 4.32Å; H201-I258 HydrophobicContact CB-CD1 3.99Å; S254-I258 VanDerWaalsContact O-CG1 3.3Å; S254-I258 WeakPolarHBondContact O-CG1 3.47Å; S254-I258 PolarHBondContact O-N 2.76Å; F255-I258 HydrophobicContact CD1-CD1 4.4Å; I258-W280 HydrophobicContact CG2-CH2 4.25Å; I258-W280 HydrophobicContact CG2-CZ2 3.99Å |
| 259 | G | 91.4 | Very high | 79.6 | Confident | 32 Ų | 32 | 58.6 Ų | 58.6 | 33% | 0.33 | 34% | 0.343 | S | S | . | . | trans | 75.3 | -166.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F255 | F255-G259 PolarHBondContact O-N 2.84Š| ||
| 260 | T | 88.3 | Confident | 77.7 | Confident | 82 Ų | 82 | 64.6 Ų | 64.6 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -81.3 | 155.1 | 177.6 | 50.8 | 0 | 0 | 0 | 0 | 111.6 | ||
| 261 | P | 83.7 | Confident | 75.7 | Confident | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.019 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 137.7 | 172 | 21.7 | -30.1 | 0 | 0 | 0 | 110.3 | N263 A264 M279 W280 I283 | P261-N263 PolarHBondContact O-N 3.24Å; P261-A264 HydrophobicContact CG-CB 4.37Å; P261-A264 WeakPolarHBondContact O-CB 3.32Å; P261-A264 PolarHBondContact O-N 3.19Å; P261-M279 HydrophobicContact CG-CE 3.83Å; P261-M279 HydrophobicContact CG-CG 4.38Å; P261-M279 HydrophobicContact CG-SD 4.4Å; P261-W280 HydrophobicContact CB-CD2 3.98Å; P261-W280 HydrophobicContact CB-CE3 3.78Å; P261-W280 HydrophobicContact CB-CH2 3.82Å; P261-W280 HydrophobicContact CB-CZ2 4.05Å; P261-W280 HydrophobicContact CB-CZ3 3.7Å; P261-W280 HydrophobicContact CG-CD2 4.19Å; P261-W280 HydrophobicContact CG-CE3 4.49Å; P261-W280 HydrophobicContact CG-CZ2 4.32Å; P261-I283 HydrophobicContact CB-CB 4.35Å; P261-I283 HydrophobicContact CB-CD1 3.71Å; P261-I283 HydrophobicContact CB-CG2 4.11Å; P261-I283 HydrophobicContact CG-CD1 3.32Å |
| 262 | P | 76.7 | Confident | 74.2 | Confident | 25 Ų | 25 | 71.8 Ų | 71.8 | 16% | 0.162 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 139.7 | 175.1 | -25.3 | 33.2 | 0 | 0 | 0 | 111.3 | L191 A264 | L191-P262 HydrophobicContact CD1-CG 4.49Å; P262-A264 VanDerWaalsContact C-N 3.33Å; P262-A264 PolarHBondContact O-N 3.35Å |
| 263 | N | 67.8 | Low | 72.6 | Confident | 107 Ų | 107 | 69.8 Ų | 69.8 | 57% | 0.572 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 20.8 | -178.1 | -51.3 | -32 | 0 | 0 | 0 | 116.1 | E187 P261 N265 L266 | E187-N263 PolarHBondContact OE1-ND2 2.98Å; P261-N263 PolarHBondContact O-N 3.24Å; N263-N265 PolarHBondContact O-N 2.66Å; N263-L266 PolarHBondContact O-N 2.94Å |
| 264 | A | 59.5 | Low | 71.6 | Confident | 7 Ų | 7 | 78.9 Ų | 78.9 | 6% | 0.058 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -2.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | P261 P262 L266 M279 I283 | P261-A264 HydrophobicContact CG-CB 4.37Å; P261-A264 WeakPolarHBondContact O-CB 3.32Å; P261-A264 PolarHBondContact O-N 3.19Å; P262-A264 VanDerWaalsContact C-N 3.33Å; P262-A264 PolarHBondContact O-N 3.35Å; A264-L266 PolarHBondContact O-N 2.88Å; A264-M279 HydrophobicContact CB-CE 3.54Å; A264-I283 HydrophobicContact CB-CD1 4.43Å |
| 265 | N | 53.8 | Low | 71.2 | Confident | 153 Ų | 153 | 80 Ų | 80 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -12.4 | 175.2 | -73.2 | -1.7 | 0 | 0 | 0 | 113.3 | N263 E267 | N263-N265 PolarHBondContact O-N 2.66Å; N265-E267 PolarHBondContact O-N 2.56Å |
| 266 | L | 53.9 | Low | 70.9 | Confident | 117 Ų | 117 | 81.2 Ų | 81.2 | 61% | 0.613 | 44% | 0.443 | S | S | * | . | trans | -73.7 | 94.6 | 165.9 | -75.4 | 155.4 | 0 | 0 | 0 | 108.1 | N263 A264 I268 G269 | N263-L266 PolarHBondContact O-N 2.94Å; A264-L266 PolarHBondContact O-N 2.88Å; L266-I268 HydrophobicContact CD2-CD1 4.41Å; L266-I268 PolarHBondContact O-N 3Å; L266-G269 PolarHBondContact O-N 3.29Å | ||
| 267 | E | 53.4 | Low | 70.9 | Confident | 146 Ų | 146 | 78.2 Ų | 78.2 | 68% | 0.682 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -41.4 | -29.8 | 176 | -64.7 | -167.6 | 146.8 | 0 | 0 | 113.4 | N265 G269 R270 L271 | N265-E267 PolarHBondContact O-N 2.56Å; E267-G269 VanDerWaalsContact C-N 3.26Å; E267-G269 PolarHBondContact O-N 3.18Å; E267-R270 PolarHBondContact O-N 3.15Å; E267-R270 VanDerWaalsContact O-N 3.1Å; E267-L271 HydrophobicContact CB-CD1 4Å; E267-L271 WeakPolarHBondContact O-CB 3.32Å; E267-L271 VanDerWaalsContact O-CG 3.23Å; E267-L271 WeakPolarHBondContact O-CG 3.5Å; E267-L271 PolarHBondContact O-N 3.28Å |
| 268 | I | 51.8 | Low | 70.7 | Confident | 119 Ų | 119 | 76.9 Ų | 76.9 | 61% | 0.61 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -50.5 | -41.9 | 175.6 | -55.3 | 169.1 | 0 | 0 | 0 | 112.5 | L266 T272 | L266-I268 HydrophobicContact CD2-CD1 4.41Å; L266-I268 PolarHBondContact O-N 3Å; I268-T272 WeakPolarHBondContact O-CG2 3.28Å; I268-T272 PolarHBondContact O-N 3.5Å; I268-T272 PolarHBondContact O-OG1 3Å |
| 269 | G | 51 | Low | 70.6 | Confident | 15 Ų | 15 | 78.1 Ų | 78.1 | 16% | 0.155 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -74.3 | -31.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L266 E267 A273 | L266-G269 PolarHBondContact O-N 3.29Å; E267-G269 VanDerWaalsContact C-N 3.26Å; E267-G269 PolarHBondContact O-N 3.18Å; G269-A273 VanDerWaalsContact O-CB 3.24Å; G269-A273 WeakPolarHBondContact O-CB 3.15Å; G269-A273 PolarHBondContact O-N 3.14Å |
| 270 | R | 53.2 | Low | 70.7 | Confident | 148 Ų | 148 | 77.1 Ų | 77.1 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -80.6 | -35.9 | 176.9 | -69.8 | -173.4 | -179.7 | -165.1 | -1 | 112.4 | E267 T272 M279 | E267-R270 PolarHBondContact O-N 3.15Å; E267-R270 VanDerWaalsContact O-N 3.1Å; R270-T272 VanDerWaalsContact C-N 3.34Å; R270-M279 HydrophobicContact CG-CE 3.83Å |
| 271 | L | 53.5 | Low | 71 | Confident | 143 Ų | 143 | 76.2 Ų | 76.2 | 75% | 0.749 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -74 | -24.5 | -177 | -69.5 | 170.2 | 0 | 0 | 0 | 112.9 | E267 | E267-L271 HydrophobicContact CB-CD1 4Å; E267-L271 WeakPolarHBondContact O-CB 3.32Å; E267-L271 VanDerWaalsContact O-CG 3.23Å; E267-L271 WeakPolarHBondContact O-CG 3.5Å; E267-L271 PolarHBondContact O-N 3.28Å |
| 272 | T | 58.5 | Low | 71.3 | Confident | 90 Ų | 90 | 79.7 Ų | 79.7 | 55% | 0.552 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -103.5 | -25.1 | -175.9 | 57.2 | 0 | 0 | 0 | 0 | 114.4 | I268 R270 | I268-T272 WeakPolarHBondContact O-CG2 3.28Å; I268-T272 PolarHBondContact O-N 3.5Å; I268-T272 PolarHBondContact O-OG1 3Å; R270-T272 VanDerWaalsContact C-N 3.34Å |
| 273 | A | 59.2 | Low | 72.1 | Confident | 22 Ų | 22 | 79.7 Ų | 79.7 | 18% | 0.182 | 41% | 0.408 | C | S | . | . | trans | -80.4 | 123.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G269 E278 M279 | G269-A273 VanDerWaalsContact O-CB 3.24Å; G269-A273 WeakPolarHBondContact O-CB 3.15Å; G269-A273 PolarHBondContact O-N 3.14Å; A273-E278 HydrophobicContact CB-CB 4.1Å; A273-M279 HydrophobicContact CB-CB 3.79Å | ||
| 274 | K | 75.5 | Confident | 73.4 | Confident | 197 Ų | 197 | 74.6 Ų | 74.6 | 86% | 0.857 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -81.2 | -20.1 | 177 | -59.3 | 177.9 | 178.7 | 177.7 | 0 | 112.3 | E278 | K274-E278 WeakPolarHBondContact CA-OE2 3.35Å; K274-E278 VanDerWaalsContact CB-OE2 3.29Å; K274-E278 WeakPolarHBondContact CB-OE2 3.24Å; K274-E278 PolarHBondContact N-OE2 2.98Å |
| 275 | S | 86.5 | Confident | 75 | Confident | 35 Ų | 35 | 75.7 Ų | 75.7 | 25% | 0.245 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -139.2 | 156.2 | -179.6 | 68.6 | 0 | 0 | 0 | 0 | 112.3 | L277 E278 M279 | S275-L277 PolarHBondContact O-N 2.68Å; S275-E278 PolarHBondContact N-OE2 3.11Å; S275-E278 PolarHBondContact O-N 3.09Å; S275-E278 VanDerWaalsContact O-N 3.14Å; S275-E278 WeakPolarHBondContact OG-CG 3.35Å; S275-E278 PolarHBondContact OG-N 3.32Å; S275-M279 PolarHBondContact O-N 3.41Å; S275-M279 VanDerWaalsContact O-N 3.09Å |
| 276 | P | 88.8 | Confident | 76.9 | Confident | 61 Ų | 61 | 72.7 Ų | 72.7 | 40% | 0.396 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -54.1 | -37.6 | 171.7 | -26.5 | 35 | 0 | 0 | 0 | 112.6 | F198 E278 M279 W280 | F198-P276 HydrophobicContact CE2-CB 4.08Å; F198-P276 HydrophobicContact CZ-CB 4.04Å; P276-E278 PolarHBondContact O-N 3.15Å; P276-M279 WeakPolarHBondContact O-CB 3.11Å; P276-M279 PolarHBondContact O-N 3.14Å; P276-W280 VanDerWaalsContact O-CD1 3.24Å; P276-W280 PolarHBondContact O-N 3.15Å |
| 277 | L | 92.9 | Very high | 78.7 | Confident | 34 Ų | 34 | 71 Ų | 71 | 18% | 0.178 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.2 | -45.7 | 177.9 | -177.4 | 67.9 | 0 | 0 | 0 | 111.9 | W113 F198 L199 Y202 S275 W280 K281 | W113-L277 HydrophobicContact CH2-CD1 4.13Å; W113-L277 HydrophobicContact CZ2-CD1 3.81Å; W113-L277 HydrophobicContact CZ2-CG 4.34Å; F198-L277 HydrophobicContact CE1-CD1 3.96Å; L199-L277 HydrophobicContact CD2-CD1 3.87Å; Y202-L277 HydrophobicContact CD1-CD1 4.17Å; Y202-L277 HydrophobicContact CE1-CB 4.32Å; Y202-L277 HydrophobicContact CE1-CD1 4.08Å; Y202-L277 HydrophobicContact CE1-CD2 3.84Å; Y202-L277 HydrophobicContact CE1-CG 4.3Å; Y202-L277 HydrophobicContact CE2-CB 4.45Å; S275-L277 PolarHBondContact O-N 2.68Å; L277-W280 PolarHBondContact O-N 2.76Å; L277-K281 WeakPolarHBondContact O-CB 3.39Å; L277-K281 PolarHBondContact O-N 2.87Å |
| 278 | E | 91.5 | Very high | 80.7 | Confident | 78 Ų | 78 | 64.8 Ų | 64.8 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 176.6 | -73.2 | 174.8 | 169.4 | 0 | 0 | 112 | A273 K274 S275 P276 K281 N282 | A273-E278 HydrophobicContact CB-CB 4.1Å; K274-E278 WeakPolarHBondContact CA-OE2 3.35Å; K274-E278 VanDerWaalsContact CB-OE2 3.29Å; K274-E278 WeakPolarHBondContact CB-OE2 3.24Å; K274-E278 PolarHBondContact N-OE2 2.98Å; S275-E278 PolarHBondContact N-OE2 3.11Å; S275-E278 PolarHBondContact O-N 3.09Å; S275-E278 VanDerWaalsContact O-N 3.14Å; S275-E278 WeakPolarHBondContact OG-CG 3.35Å; S275-E278 PolarHBondContact OG-N 3.32Å; P276-E278 PolarHBondContact O-N 3.15Å; E278-K281 WeakPolarHBondContact O-CB 3.35Å; E278-K281 PolarHBondContact O-N 3.35Å; E278-N282 WeakPolarHBondContact O-CB 3.4Å; E278-N282 PolarHBondContact O-N 2.99Å; E278-N282 PolarHBondContact O-ND2 2.8Å; E278-N282 PolarHBondContact O-OD1 2.87Å |
| 279 | M | 90.8 | Very high | 82.7 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 13% | 0.133 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.6 | -49.4 | 176.2 | -176.5 | -174.2 | 179.1 | 0 | 0 | 111.2 | P261 A264 R270 A273 S275 P276 K281 N282 I283 | P261-M279 HydrophobicContact CG-CE 3.83Å; P261-M279 HydrophobicContact CG-CG 4.38Å; P261-M279 HydrophobicContact CG-SD 4.4Å; A264-M279 HydrophobicContact CB-CE 3.54Å; R270-M279 HydrophobicContact CG-CE 3.83Å; A273-M279 HydrophobicContact CB-CB 3.79Å; S275-M279 PolarHBondContact O-N 3.41Å; S275-M279 VanDerWaalsContact O-N 3.09Å; P276-M279 WeakPolarHBondContact O-CB 3.11Å; P276-M279 PolarHBondContact O-N 3.14Å; M279-K281 VanDerWaalsContact C-N 3.33Å; M279-K281 PolarHBondContact O-N 3.36Å; M279-N282 PolarHBondContact O-N 2.8Å; M279-I283 HydrophobicContact CE-CD1 4.18Å; M279-I283 HydrophobicContact CG-CD1 4.17Å; M279-I283 PolarHBondContact O-N 3.11Å |
| 280 | W | 94.2 | Very high | 84.8 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 4% | 0.038 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.6 | -82.6 | 96.8 | 0 | 0 | 0 | 111.9 | W113 K194 T195 F198 I258 P261 P276 L277 F284 | W113-W280 HydrophobicContact CH2-CB 3.87Å; W113-W280 HydrophobicContact CZ3-CB 4.18Å; K194-W280 HydrophobicContact CB-CH2 3.65Å; K194-W280 HydrophobicContact CB-CZ3 3.96Å; T195-W280 WeakPolarHBondContact OG1-CZ3 3.25Å; F198-W280 HydrophobicContact CB-CD2 4.06Å; F198-W280 HydrophobicContact CB-CE3 4.47Å; F198-W280 HydrophobicContact CB-CG 4.47Å; F198-W280 HydrophobicContact CB-CZ2 4.16Å; F198-W280 HydrophobicContact CD1-CB 3.83Å; F198-W280 AromaticContact CD1-CD1 3.53Å; F198-W280 AromaticContact CD1-CD2 3.96Å; F198-W280 HydrophobicContact CD1-CD2 3.96Å; F198-W280 AromaticContact CD1-CG 3.5Å; F198-W280 HydrophobicContact CD1-CG 3.5Å; F198-W280 VanDerWaalsContact CD1-CG 3.5Å; F198-W280 AromaticContact CD1-NE1 4Å; F198-W280 AromaticContact CD2-CD1 3.48Å; F198-W280 VanDerWaalsContact CD2-CD1 3.48Å; F198-W280 HydrophobicContact CD2-CD2 4.4Å; F198-W280 AromaticContact CD2-CE2 3.88Å; F198-W280 HydrophobicContact CD2-CG 4.19Å; F198-W280 AromaticContact CD2-NE1 3.25Å; F198-W280 HydrophobicContact CE1-CB 3.81Å; F198-W280 AromaticContact CE1-CD1 3.51Å; F198-W280 AromaticContact CE1-CG 3.72Å; F198-W280 HydrophobicContact CE1-CG 3.72Å; F198-W280 AromaticContact CE2-CD1 3.45Å; F198-W280 VanDerWaalsContact CE2-CD1 3.45Å; F198-W280 HydrophobicContact CE2-CG 4.37Å; F198-W280 AromaticContact CE2-NE1 3.59Å; F198-W280 AromaticContact CG-CD1 3.52Å; F198-W280 AromaticContact CG-CD2 3.85Å; F198-W280 HydrophobicContact CG-CD2 3.85Å; F198-W280 AromaticContact CG-CE2 3.71Å; F198-W280 AromaticContact CG-CG 3.77Å; F198-W280 HydrophobicContact CG-CG 3.77Å; F198-W280 HydrophobicContact CG-CZ2 4.44Å; F198-W280 AromaticContact CG-NE1 3.48Å; F198-W280 AromaticContact CZ-CD1 3.47Å; F198-W280 VanDerWaalsContact CZ-CD1 3.47Å; F198-W280 HydrophobicContact CZ-CG 4.16Å; I258-W280 HydrophobicContact CG2-CH2 4.25Å; I258-W280 HydrophobicContact CG2-CZ2 3.99Å; P261-W280 HydrophobicContact CB-CD2 3.98Å; P261-W280 HydrophobicContact CB-CE3 3.78Å; P261-W280 HydrophobicContact CB-CH2 3.82Å; P261-W280 HydrophobicContact CB-CZ2 4.05Å; P261-W280 HydrophobicContact CB-CZ3 3.7Å; P261-W280 HydrophobicContact CG-CD2 4.19Å; P261-W280 HydrophobicContact CG-CE3 4.49Å; P261-W280 HydrophobicContact CG-CZ2 4.32Å; P276-W280 VanDerWaalsContact O-CD1 3.24Å; P276-W280 PolarHBondContact O-N 3.15Å; L277-W280 PolarHBondContact O-N 2.76Å; W280-F284 WeakPolarHBondContact O-CB 3.31Å; W280-F284 PolarHBondContact O-N 3.41Å |
| 281 | K | 94.2 | Very high | 86.1 | Confident | 64 Ų | 64 | 62.9 Ų | 62.9 | 28% | 0.278 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.4 | -51.7 | 176.4 | -170.5 | 169.5 | -170.1 | 172.1 | 0 | 111.2 | W113 E117 L277 E278 M279 I283 F284 C285 | W113-K281 HydrophobicContact CD2-CB 4.34Å; W113-K281 HydrophobicContact CD2-CG 4.06Å; W113-K281 VanDerWaalsContact CE2-CG 3.48Å; W113-K281 HydrophobicContact CG-CG 4.43Å; W113-K281 HydrophobicContact CH2-CB 3.74Å; W113-K281 HydrophobicContact CH2-CG 4.47Å; W113-K281 HydrophobicContact CZ2-CB 3.33Å; W113-K281 HydrophobicContact CZ2-CD 4.16Å; W113-K281 HydrophobicContact CZ2-CG 3.75Å; W113-K281 HydrophobicContact CZ3-CB 4.38Å; E117-K281 IonicContact OE1-NZ 3.75Å; E117-K281 PolarHBondContact OE1-NZ 2.8Å; E117-K281 IonicContact OE2-NZ 2.66Å; E117-K281 PolarHBondContact OE2-NZ 2.72Å; L277-K281 WeakPolarHBondContact O-CB 3.39Å; L277-K281 PolarHBondContact O-N 2.87Å; E278-K281 WeakPolarHBondContact O-CB 3.35Å; E278-K281 PolarHBondContact O-N 3.35Å; M279-K281 VanDerWaalsContact C-N 3.33Å; M279-K281 PolarHBondContact O-N 3.36Å; K281-I283 PolarHBondContact O-N 3.22Å; K281-F284 PolarHBondContact O-N 2.87Å; K281-C285 WeakPolarHBondContact O-CB 3.27Å; K281-C285 PolarHBondContact O-N 3.49Å; K281-C285 PolarHBondContact O-SG 3.02Å |
| 282 | N | 91.4 | Very high | 86.6 | Confident | 76 Ų | 76 | 58.7 Ų | 58.7 | 41% | 0.406 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.9 | -45.8 | -175.9 | -69.2 | -13.6 | 0 | 0 | 0 | 111.2 | E278 M279 S286 | E278-N282 WeakPolarHBondContact O-CB 3.4Å; E278-N282 PolarHBondContact O-N 2.99Å; E278-N282 PolarHBondContact O-ND2 2.8Å; E278-N282 PolarHBondContact O-OD1 2.87Å; M279-N282 PolarHBondContact O-N 2.8Å; N282-S286 VanDerWaalsContact O-CB 3.23Å; N282-S286 WeakPolarHBondContact O-CB 3.21Å; N282-S286 PolarHBondContact O-N 3.26Å; N282-S286 PolarHBondContact O-OG 2.67Å; N282-S286 VanDerWaalsContact O-OG 3.06Å |
| 283 | I | 92.3 | Very high | 86.3 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 13% | 0.128 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.9 | -45.9 | -179.7 | -66.7 | 166.1 | 0 | 0 | 0 | 110.8 | L191 P261 A264 M279 K281 S286 K287 | L191-I283 HydrophobicContact CD1-CG2 4.35Å; P261-I283 HydrophobicContact CB-CB 4.35Å; P261-I283 HydrophobicContact CB-CD1 3.71Å; P261-I283 HydrophobicContact CB-CG2 4.11Å; P261-I283 HydrophobicContact CG-CD1 3.32Å; A264-I283 HydrophobicContact CB-CD1 4.43Å; M279-I283 HydrophobicContact CE-CD1 4.18Å; M279-I283 HydrophobicContact CG-CD1 4.17Å; M279-I283 PolarHBondContact O-N 3.11Å; K281-I283 PolarHBondContact O-N 3.22Å; I283-S286 PolarHBondContact O-N 3.33Å; I283-S286 PolarHBondContact O-OG 2.92Å; I283-K287 PolarHBondContact O-N 2.87Å |
| 284 | F | 95.1 | Very high | 85.5 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -64.7 | -47.8 | 180 | -172 | -96.5 | 0 | 0 | 0 | 112.1 | P109 L112 W113 L191 I192 T195 W280 K281 S286 K287 F288 | P109-F284 HydrophobicContact CB-CZ 3.81Å; P109-F284 WeakPolarHBondContact O-CE1 3.25Å; L112-F284 HydrophobicContact CB-CE1 4.17Å; L112-F284 HydrophobicContact CB-CZ 4.23Å; L112-F284 HydrophobicContact CD1-CZ 4.04Å; L112-F284 HydrophobicContact CD2-CE1 4.16Å; L112-F284 HydrophobicContact CD2-CZ 4.24Å; L112-F284 HydrophobicContact CG-CZ 4.41Å; W113-F284 HydrophobicContact CB-CD1 4.38Å; W113-F284 HydrophobicContact CE3-CB 4.08Å; W113-F284 AromaticContact CE3-CD1 3.89Å; W113-F284 HydrophobicContact CE3-CD1 3.89Å; W113-F284 HydrophobicContact CE3-CG 4.17Å; W113-F284 HydrophobicContact CZ3-CB 4.18Å; L191-F284 HydrophobicContact CD1-CD2 4.37Å; L191-F284 HydrophobicContact CD2-CD2 4.47Å; L191-F284 HydrophobicContact CG-CD2 4.05Å; I192-F284 HydrophobicContact CG1-CE2 4.14Å; T195-F284 HydrophobicContact CG2-CB 4.37Å; T195-F284 HydrophobicContact CG2-CD2 3.71Å; T195-F284 HydrophobicContact CG2-CE2 4.09Å; T195-F284 HydrophobicContact CG2-CG 3.96Å; T195-F284 VanDerWaalsContact OG1-CD2 3.26Å; T195-F284 WeakPolarHBondContact OG1-CD2 3.14Å; W280-F284 WeakPolarHBondContact O-CB 3.31Å; W280-F284 PolarHBondContact O-N 3.41Å; K281-F284 PolarHBondContact O-N 2.87Å; F284-S286 VanDerWaalsContact C-N 3.32Å; F284-S286 PolarHBondContact O-N 3.46Å; F284-K287 PolarHBondContact O-N 3Å; F284-F288 HydrophobicContact CD1-CD2 4.49Å; F284-F288 AromaticContact CD2-CD2 3.92Å; F284-F288 HydrophobicContact CD2-CD2 3.92Å; F284-F288 HydrophobicContact CD2-CE2 4.31Å; F284-F288 HydrophobicContact CE1-CB 4.33Å; F284-F288 HydrophobicContact CE1-CD2 4.18Å; F284-F288 AromaticContact CE2-CD2 3.58Å; F284-F288 HydrophobicContact CE2-CD2 3.58Å; F284-F288 AromaticContact CE2-CE2 3.86Å; F284-F288 HydrophobicContact CE2-CE2 3.86Å; F284-F288 HydrophobicContact CG-CD2 4.39Å; F284-F288 AromaticContact CZ-CD2 3.72Å; F284-F288 HydrophobicContact CZ-CD2 3.72Å; F284-F288 HydrophobicContact CZ-CE2 4.32Å; F284-F288 HydrophobicContact CZ-CG 4.47Å; F284-F288 PolarHBondContact O-N 3.07Å |
| 285 | C | 94.1 | Very high | 83.8 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 20% | 0.196 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -72.2 | -22.9 | -178.2 | -65.2 | 0 | 0 | 0 | 0 | 113.3 | K281 F288 P289 Q290 | K281-C285 WeakPolarHBondContact O-CB 3.27Å; K281-C285 PolarHBondContact O-N 3.49Å; K281-C285 PolarHBondContact O-SG 3.02Å; C285-F288 WeakPolarHBondContact CA-O 3.23Å; C285-F288 CarbonylContact O-C 3.57Å; C285-F288 VanDerWaalsContact O-C 3.27Å; C285-P289 VanDerWaalsContact O-CA 3.28Å; C285-P289 WeakPolarHBondContact O-CA 3.41Å; C285-P289 VanDerWaalsContact O-N 3.15Å; C285-Q290 HydrophobicContact CB-CG 4.48Å; C285-Q290 VanDerWaalsContact SG-CG 3.58Å |
| 286 | S | 92.3 | Very high | 81.6 | Confident | 91 Ų | 91 | 61.5 Ų | 61.5 | 64% | 0.636 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -70.2 | -38.2 | 171.2 | 63.7 | 0 | 0 | 0 | 0 | 112.3 | N282 I283 F284 | N282-S286 VanDerWaalsContact O-CB 3.23Å; N282-S286 WeakPolarHBondContact O-CB 3.21Å; N282-S286 PolarHBondContact O-N 3.26Å; N282-S286 PolarHBondContact O-OG 2.67Å; N282-S286 VanDerWaalsContact O-OG 3.06Å; I283-S286 PolarHBondContact O-N 3.33Å; I283-S286 PolarHBondContact O-OG 2.92Å; F284-S286 VanDerWaalsContact C-N 3.32Å; F284-S286 PolarHBondContact O-N 3.46Å |
| 287 | K | 93.3 | Very high | 78.9 | Confident | 81 Ų | 81 | 63.1 Ų | 63.1 | 35% | 0.352 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -76.5 | -37.8 | 173.6 | -170.2 | 75.3 | 171 | -155.3 | 0 | 112.1 | E187 L191 I283 F284 | E187-K287 IonicContact OE1-NZ 2.86Å; E187-K287 PolarHBondContact OE1-NZ 3.49Å; E187-K287 IonicContact OE2-NZ 2.89Å; E187-K287 PolarHBondContact OE2-NZ 2.86Å; L191-K287 HydrophobicContact CD2-CB 3.76Å; L191-K287 HydrophobicContact CD2-CG 3.82Å; I283-K287 PolarHBondContact O-N 2.87Å; F284-K287 PolarHBondContact O-N 3Å |
| 288 | F | 95 | Very high | 76.4 | Confident | 16 Ų | 16 | 68.1 Ų | 68.1 | 7% | 0.07 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -125.6 | 82 | -178.7 | -53.7 | -66.9 | 0 | 0 | 0 | 110.6 | P109 Q188 L191 I192 F284 C285 Q290 | P109-F288 HydrophobicContact CB-CB 4.2Å; P109-F288 HydrophobicContact CB-CD1 3.85Å; P109-F288 HydrophobicContact CB-CD2 3.84Å; P109-F288 HydrophobicContact CB-CE1 4.11Å; P109-F288 HydrophobicContact CB-CE2 4.08Å; P109-F288 HydrophobicContact CB-CG 3.7Å; P109-F288 HydrophobicContact CB-CZ 4.2Å; P109-F288 HydrophobicContact CG-CD1 3.49Å; P109-F288 VanDerWaalsContact CG-CD1 3.49Å; P109-F288 HydrophobicContact CG-CD2 4.37Å; P109-F288 HydrophobicContact CG-CE1 3.58Å; P109-F288 HydrophobicContact CG-CE2 4.42Å; P109-F288 HydrophobicContact CG-CG 3.9Å; P109-F288 HydrophobicContact CG-CZ 4.05Å; Q188-F288 HydrophobicContact CB-CZ 4.05Å; Q188-F288 HydrophobicContact CG-CE1 4.2Å; Q188-F288 HydrophobicContact CG-CZ 3.85Å; L191-F288 HydrophobicContact CD2-CD2 4.25Å; L191-F288 HydrophobicContact CD2-CE2 3.7Å; L191-F288 HydrophobicContact CG-CE2 4.19Å; I192-F288 HydrophobicContact CD1-CE2 4.3Å; I192-F288 HydrophobicContact CD1-CZ 4.01Å; I192-F288 HydrophobicContact CG1-CE2 3.87Å; I192-F288 HydrophobicContact CG1-CZ 4.08Å; F284-F288 HydrophobicContact CD1-CD2 4.49Å; F284-F288 AromaticContact CD2-CD2 3.92Å; F284-F288 HydrophobicContact CD2-CD2 3.92Å; F284-F288 HydrophobicContact CD2-CE2 4.31Å; F284-F288 HydrophobicContact CE1-CB 4.33Å; F284-F288 HydrophobicContact CE1-CD2 4.18Å; F284-F288 AromaticContact CE2-CD2 3.58Å; F284-F288 HydrophobicContact CE2-CD2 3.58Å; F284-F288 AromaticContact CE2-CE2 3.86Å; F284-F288 HydrophobicContact CE2-CE2 3.86Å; F284-F288 HydrophobicContact CG-CD2 4.39Å; F284-F288 AromaticContact CZ-CD2 3.72Å; F284-F288 HydrophobicContact CZ-CD2 3.72Å; F284-F288 HydrophobicContact CZ-CE2 4.32Å; F284-F288 HydrophobicContact CZ-CG 4.47Å; F284-F288 PolarHBondContact O-N 3.07Å; C285-F288 WeakPolarHBondContact CA-O 3.23Å; C285-F288 CarbonylContact O-C 3.57Å; C285-F288 VanDerWaalsContact O-C 3.27Å; F288-Q290 PolarHBondContact O-N 3.18Å; F288-Q290 PolarHBondContact O-NE2 3.26Å |
| 289 | P | 93.9 | Very high | 74 | Confident | 90 Ų | 90 | 70.7 Ų | 70.7 | 58% | 0.584 | 40% | 0.402 | S | S | * | . | trans | -53.8 | 123.8 | 177 | -27.7 | 35.8 | 0 | 0 | 0 | 111.2 | E110 C285 | E110-P289 WeakPolarHBondContact CB-O 3.48Å; C285-P289 VanDerWaalsContact O-CA 3.28Å; C285-P289 WeakPolarHBondContact O-CA 3.41Å; C285-P289 VanDerWaalsContact O-N 3.15Å | ||
| 290 | Q | 93.6 | Very high | 71.5 | Confident | 35 Ų | 35 | 72 Ų | 72 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | trans | -73 | 134.9 | -173.7 | -61.2 | -63.2 | -68.7 | 0 | 0 | 110.8 | P109 E110 W113 D114 C285 F288 S292 | P109-Q290 PolarHBondContact O-NE2 3.49Å; E110-Q290 CarbonylContact O-C 3.27Å; E110-Q290 VanDerWaalsContact O-CA 3.27Å; E110-Q290 WeakPolarHBondContact O-CA 3.07Å; W113-Q290 HydrophobicContact CB-CG 3.99Å; D114-Q290 HydrophobicContact CB-CB 4.44Å; D114-Q290 VanDerWaalsContact N-OE1 3.16Å; C285-Q290 HydrophobicContact CB-CG 4.48Å; C285-Q290 VanDerWaalsContact SG-CG 3.58Å; F288-Q290 PolarHBondContact O-N 3.18Å; F288-Q290 PolarHBondContact O-NE2 3.26Å; Q290-S292 PolarHBondContact O-N 2.9Å | ||
| 291 | K | 81.9 | Confident | 69.1 | Low | 117 Ų | 117 | 75.3 Ų | 75.3 | 51% | 0.509 | 43% | 0.428 | S | S | . | . | trans | -76.8 | 29.2 | 177.3 | -69.5 | 176.7 | 175.3 | 155.3 | 0 | 113.1 | E110 G293 | E110-K291 HydrophobicContact CB-CG 4.45Å; E110-K291 HydrophobicContact CG-CD 3.63Å; E110-K291 VanDerWaalsContact CG-CE 3.47Å; E110-K291 HydrophobicContact CG-CG 3.98Å; E110-K291 PolarHBondContact O-N 3.04Å; E110-K291 IonicContact OE1-NZ 3Å; E110-K291 PolarHBondContact OE1-NZ 3.41Å; K291-G293 PolarHBondContact O-N 3.04Å | ||
| 292 | S | 62.8 | Low | 66.8 | Low | 54 Ų | 54 | 77.5 Ų | 77.5 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -63.8 | 123.5 | 175.6 | -47.3 | 0 | 0 | 0 | 0 | 109.7 | D114 Q290 L294 | D114-S292 VanDerWaalsContact CB-OG 3.27Å; D114-S292 WeakPolarHBondContact CB-OG 3.42Å; D114-S292 VanDerWaalsContact OD1-CB 3.31Å; D114-S292 WeakPolarHBondContact OD1-CB 3.37Å; D114-S292 PolarHBondContact OD1-OG 2.85Å; Q290-S292 PolarHBondContact O-N 2.9Å; S292-L294 VanDerWaalsContact C-N 3.31Å; S292-L294 PolarHBondContact O-N 2.93Å; S292-L294 VanDerWaalsContact O-N 3.12Å |
| 293 | G | 51.9 | Low | 64.5 | Low | 74 Ų | 74 | 79.4 Ų | 79.4 | 76% | 0.763 | 46% | 0.457 | S | S | * | . | S | Bend | trans | 78.9 | -14 | 168.1 | 0 | 0 | 0 | 0 | 0 | 118 | K291 T295 | K291-G293 PolarHBondContact O-N 3.04Å; G293-T295 PolarHBondContact O-N 3.23Å; G293-T295 VanDerWaalsContact O-N 3.16Å |
| 294 | L | 43.4 | Very low | 62.2 | Low | 157 Ų | 157 | 83.9 Ų | 83.9 | 82% | 0.822 | 48% | 0.477 | S | S | * | . | trans | -73.4 | -1.9 | 175.6 | -72.4 | 176.2 | 0 | 0 | 0 | 114 | S292 | S292-L294 VanDerWaalsContact C-N 3.31Å; S292-L294 PolarHBondContact O-N 2.93Å; S292-L294 VanDerWaalsContact O-N 3.12Å | ||
| 295 | T | 39.3 | Very low | 60.2 | Low | 79 Ų | 79 | 88.3 Ų | 88.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -115.5 | 74.3 | 168.2 | 63.4 | 0 | 0 | 0 | 0 | 110.9 | K81 G293 | K81-T295 PolarHBondContact NZ-O 2.91Å; G293-T295 PolarHBondContact O-N 3.23Å; G293-T295 VanDerWaalsContact O-N 3.16Å |
| 296 | F | 40.6 | Very low | 58.4 | Low | 93 Ų | 93 | 91.1 Ų | 91.1 | 41% | 0.408 | 51% | 0.512 | S | S | . | . | trans | 109.7 | 106.5 | 138.5 | -62.9 | -62.3 | 0 | 0 | 0 | 117.9 | N300 | F296-N300 HydrophobicContact CB-CB 3.51Å; F296-N300 HydrophobicContact CD1-CB 3.3Å; F296-N300 WeakPolarHBondContact CD1-ND2 2.96Å; F296-N300 HydrophobicContact CD2-CB 4.43Å; F296-N300 HydrophobicContact CE1-CB 4.06Å; F296-N300 WeakPolarHBondContact CE1-ND2 3.39Å; F296-N300 HydrophobicContact CG-CB 3.48Å; F296-N300 VanDerWaalsContact CG-CB 3.48Å | ||
| 297 | S | 33 | Very low | 57.3 | Low | 96 Ų | 96 | 89.8 Ų | 89.8 | 67% | 0.671 | 50% | 0.498 | S | S | * | . | trans | -36.7 | 143.5 | 152.2 | -49.7 | 0 | 0 | 0 | 0 | 110.8 | N299 N300 | S297-N299 PolarHBondContact O-N 3.22Å; S297-N300 PolarHBondContact O-N 3.21Å | ||
| 298 | L | 38.9 | Very low | 56.2 | Low | 139 Ų | 139 | 89.4 Ų | 89.4 | 73% | 0.728 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -38.2 | -32.4 | 178.5 | -84.1 | 137.3 | 0 | 0 | 0 | 114.9 | N300 I301 | L298-N300 PolarHBondContact O-N 3.1Å; L298-I301 HydrophobicContact CD2-CD1 4.05Å; L298-I301 HydrophobicContact CG-CD1 4.19Å; L298-I301 WeakPolarHBondContact O-CB 3.4Å; L298-I301 PolarHBondContact O-N 3.1Å; L298-I301 VanDerWaalsContact O-N 3.15Å |
| 299 | N | 41.4 | Very low | 55.1 | Low | 131 Ų | 131 | 90.6 Ų | 90.6 | 70% | 0.701 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -62.1 | -18.5 | 176.6 | -63.2 | -2.8 | 0 | 0 | 0 | 115.5 | S297 T302 | S297-N299 PolarHBondContact O-N 3.22Å; N299-T302 PolarHBondContact O-OG1 3.33Å |
| 300 | N | 39.3 | Very low | 54.2 | Low | 56 Ų | 56 | 94 Ų | 94 | 30% | 0.299 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -108.8 | -3 | 177 | -87.1 | -16.7 | 0 | 0 | 0 | 113.1 | F296 S297 L298 T302 N303 H304 | F296-N300 HydrophobicContact CB-CB 3.51Å; F296-N300 HydrophobicContact CD1-CB 3.3Å; F296-N300 WeakPolarHBondContact CD1-ND2 2.96Å; F296-N300 HydrophobicContact CD2-CB 4.43Å; F296-N300 HydrophobicContact CE1-CB 4.06Å; F296-N300 WeakPolarHBondContact CE1-ND2 3.39Å; F296-N300 HydrophobicContact CG-CB 3.48Å; F296-N300 VanDerWaalsContact CG-CB 3.48Å; S297-N300 PolarHBondContact O-N 3.21Å; L298-N300 PolarHBondContact O-N 3.1Å; N300-T302 PolarHBondContact O-N 2.62Å; N300-N303 PolarHBondContact O-N 3.47Å; N300-N303 PolarHBondContact OD1-ND2 3.13Å; N300-N303 VanDerWaalsContact OD1-ND2 3.14Å; N300-H304 PolarHBondContact O-N 2.89Å |
| 301 | I | 42.8 | Very low | 53.3 | Low | 79 Ų | 79 | 93.6 Ų | 93.6 | 41% | 0.405 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -37.6 | 165.4 | -63.4 | -179.8 | 0 | 0 | 0 | 109.4 | L298 N303 L305 | L298-I301 HydrophobicContact CD2-CD1 4.05Å; L298-I301 HydrophobicContact CG-CD1 4.19Å; L298-I301 WeakPolarHBondContact O-CB 3.4Å; L298-I301 PolarHBondContact O-N 3.1Å; L298-I301 VanDerWaalsContact O-N 3.15Å; I301-N303 PolarHBondContact O-N 2.94Å; I301-L305 HydrophobicContact CG2-CD1 3.44Å; I301-L305 VanDerWaalsContact CG2-CD1 3.44Å; I301-L305 HydrophobicContact CG2-CG 4.02Å; I301-L305 VanDerWaalsContact O-CB 3.28Å; I301-L305 WeakPolarHBondContact O-CB 3.3Å; I301-L305 WeakPolarHBondContact O-CG 3.46Å; I301-L305 PolarHBondContact O-N 2.64Å |
| 302 | T | 45.8 | Very low | 53.1 | Low | 110 Ų | 110 | 93 Ų | 93 | 68% | 0.675 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.2 | -28.3 | 175.6 | 47.9 | 0 | 0 | 0 | 0 | 113.8 | N299 N300 | N299-T302 PolarHBondContact O-OG1 3.33Å; N300-T302 PolarHBondContact O-N 2.62Å |
| 303 | N | 43 | Very low | 54 | Low | 115 Ų | 115 | 93.9 Ų | 93.9 | 62% | 0.615 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -91 | -26.8 | -177.1 | -70.5 | -22.2 | 0 | 0 | 0 | 113.7 | N300 I301 | N300-N303 PolarHBondContact O-N 3.47Å; N300-N303 PolarHBondContact OD1-ND2 3.13Å; N300-N303 VanDerWaalsContact OD1-ND2 3.14Å; I301-N303 PolarHBondContact O-N 2.94Å |
| 304 | H | 45.1 | Very low | 55.2 | Low | 120 Ų | 120 | 95.3 Ų | 95.3 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -118.8 | -6.3 | -174.6 | -100.8 | -54.1 | 0 | 0 | 0 | 115.9 | N300 I306 | N300-H304 PolarHBondContact O-N 2.89Å; H304-I306 PolarHBondContact O-N 3.19Å |
| 305 | L | 51.8 | Low | 57 | Low | 93 Ų | 93 | 91.3 Ų | 91.3 | 49% | 0.487 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -70.1 | 80.9 | 148.2 | -68.4 | 175.5 | 0 | 0 | 0 | 105.7 | L82 I301 D307 | L82-L305 HydrophobicContact CD2-CD2 4.28Å; I301-L305 HydrophobicContact CG2-CD1 3.44Å; I301-L305 VanDerWaalsContact CG2-CD1 3.44Å; I301-L305 HydrophobicContact CG2-CG 4.02Å; I301-L305 VanDerWaalsContact O-CB 3.28Å; I301-L305 WeakPolarHBondContact O-CB 3.3Å; I301-L305 WeakPolarHBondContact O-CG 3.46Å; I301-L305 PolarHBondContact O-N 2.64Å; L305-D307 PolarHBondContact O-N 3.14Å |
| 306 | I | 58.1 | Low | 59.2 | Low | 88 Ų | 88 | 92.8 Ų | 92.8 | 45% | 0.451 | 49% | 0.494 | S | S | . | . | trans | -48.3 | 109.5 | 171.4 | -62.8 | 163.2 | 0 | 0 | 0 | 104.7 | H304 P308 | H304-I306 PolarHBondContact O-N 3.19Å; I306-P308 WeakPolarHBondContact O-CD 3.13Å | ||
| 307 | D | 68.1 | Low | 61.4 | Low | 62 Ų | 62 | 93.3 Ų | 93.3 | 33% | 0.332 | 51% | 0.507 | S | S | . | . | trans | -48.5 | 113.6 | 173.3 | 176.2 | -9.5 | 0 | 0 | 0 | 106.3 | L305 S309 K310 D311 | L305-D307 PolarHBondContact O-N 3.14Å; D307-S309 PolarHBondContact O-N 3.36Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 2.88Å; D307-S309 PolarHBondContact OD1-OG 3.44Å; D307-S309 PolarHBondContact OD2-OG 2.79Å; D307-K310 HydrophobicContact CB-CB 4.38Å; D307-K310 HydrophobicContact CB-CD 4.14Å; D307-K310 HydrophobicContact CB-CG 4.09Å; D307-K310 WeakPolarHBondContact O-CA 3.17Å; D307-K310 PolarHBondContact O-N 3.04Å; D307-D311 PolarHBondContact O-N 3.16Å | ||
| 308 | P | 70.5 | Confident | 64.1 | Low | 73 Ų | 73 | 96.1 Ų | 96.1 | 47% | 0.474 | 51% | 0.514 | S | S | . | . | G | 310 helix | trans | -54.7 | -26.4 | -175.6 | -30.9 | 38.4 | 0 | 0 | 0 | 112.5 | L51 I306 K310 D311 | L51-P308 HydrophobicContact CD1-CB 3.86Å; I306-P308 WeakPolarHBondContact O-CD 3.13Å; P308-K310 PolarHBondContact O-N 3.11Å; P308-D311 WeakPolarHBondContact O-CB 3.34Å; P308-D311 PolarHBondContact O-N 2.83Å |
| 309 | S | 72.5 | Confident | 66.5 | Low | 42 Ų | 42 | 94.1 Ų | 94.1 | 29% | 0.294 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -77.2 | -6.5 | 177.4 | 66.1 | 0 | 0 | 0 | 0 | 115.2 | D307 R323 | D307-S309 PolarHBondContact O-N 3.36Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 2.88Å; D307-S309 PolarHBondContact OD1-OG 3.44Å; D307-S309 PolarHBondContact OD2-OG 2.79Å; S309-R323 VanDerWaalsContact OG-CZ 3.29Å; S309-R323 PolarHBondContact OG-NH1 3.02Å; S309-R323 PolarHBondContact OG-NH2 3.43Å; S309-R323 VanDerWaalsContact OG-NH2 3.12Å |
| 310 | K | 73.8 | Confident | 68.7 | Low | 162 Ų | 162 | 90.7 Ų | 90.7 | 70% | 0.704 | 48% | 0.484 | S | S | * | . | G | 310 helix | trans | -105.7 | -0.2 | 170.4 | -59.5 | -175.6 | -175.5 | 178.5 | 0 | 112.1 | D307 P308 P312 | D307-K310 HydrophobicContact CB-CB 4.38Å; D307-K310 HydrophobicContact CB-CD 4.14Å; D307-K310 HydrophobicContact CB-CG 4.09Å; D307-K310 WeakPolarHBondContact O-CA 3.17Å; D307-K310 PolarHBondContact O-N 3.04Å; P308-K310 PolarHBondContact O-N 3.11Å; K310-P312 VanDerWaalsContact O-CD 3.31Å; K310-P312 WeakPolarHBondContact O-CD 3.35Å |
| 311 | D | 74.7 | Confident | 71.1 | Confident | 25 Ų | 25 | 91.4 Ų | 91.4 | 13% | 0.134 | 49% | 0.494 | C | S | . | . | trans | -73.1 | 118.1 | 177 | -169.2 | -31.8 | 0 | 0 | 0 | 109.4 | L51 D307 P308 Q313 Y314 S315 | L51-D311 HydrophobicContact CD1-CB 4.11Å; D307-D311 PolarHBondContact O-N 3.16Å; P308-D311 WeakPolarHBondContact O-CB 3.34Å; P308-D311 PolarHBondContact O-N 2.83Å; D311-Q313 PolarHBondContact O-N 2.84Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.34Å; D311-Q313 PolarHBondContact OD1-N 2.97Å; D311-Y314 HydrophobicContact CB-CD2 4.02Å; D311-Y314 PolarHBondContact O-N 3.26Å; D311-S315 PolarHBondContact O-N 2.8Å | ||
| 312 | P | 79.1 | Confident | 73.4 | Confident | 104 Ų | 104 | 90.5 Ų | 90.5 | 68% | 0.675 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -56.7 | -26.1 | 179.8 | -24.4 | 34.6 | 0 | 0 | 0 | 113.7 | K310 Y314 S315 | K310-P312 VanDerWaalsContact O-CD 3.31Å; K310-P312 WeakPolarHBondContact O-CD 3.35Å; P312-Y314 PolarHBondContact O-N 3.16Å; P312-S315 PolarHBondContact O-N 3.29Å; P312-S315 PolarHBondContact O-OG 2.79Å |
| 313 | Q | 80.3 | Confident | 75.5 | Confident | 74 Ų | 74 | 90.4 Ų | 90.4 | 35% | 0.346 | 49% | 0.486 | S | S | . | . | G | 310 helix | trans | -60.6 | -27 | 178.3 | -178.8 | 176.6 | -40.2 | 0 | 0 | 112.8 | K48 D311 | K48-Q313 HydrophobicContact CD-CG 4.2Å; D311-Q313 PolarHBondContact O-N 2.84Å; D311-Q313 WeakPolarHBondContact OD1-CB 3.34Å; D311-Q313 PolarHBondContact OD1-N 2.97Å |
| 314 | Y | 78.8 | Confident | 77.7 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 41% | 0.408 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -117.4 | 16.1 | -176.6 | -55.7 | -87.1 | 0 | 0 | 0 | 112.3 | L51 D311 P312 E316 | L51-Y314 HydrophobicContact CB-CE2 4.4Å; L51-Y314 HydrophobicContact CD1-CD2 3.49Å; L51-Y314 VanDerWaalsContact CD1-CD2 3.49Å; L51-Y314 HydrophobicContact CD1-CE2 3.13Å; L51-Y314 HydrophobicContact CG-CD2 4.39Å; L51-Y314 HydrophobicContact CG-CE2 3.56Å; D311-Y314 HydrophobicContact CB-CD2 4.02Å; D311-Y314 PolarHBondContact O-N 3.26Å; P312-Y314 PolarHBondContact O-N 3.16Å; Y314-E316 PolarHBondContact O-N 3.09Å |
| 315 | S | 79.8 | Confident | 80 | Confident | 72 Ų | 72 | 88.8 Ų | 88.8 | 50% | 0.503 | 48% | 0.477 | S | S | . | . | trans | -64.6 | 125.8 | 177.6 | 58.9 | 0 | 0 | 0 | 0 | 110.9 | D311 P312 | D311-S315 PolarHBondContact O-N 2.8Å; P312-S315 PolarHBondContact O-N 3.29Å; P312-S315 PolarHBondContact O-OG 2.79Å | ||
| 316 | E | 86.8 | Confident | 81.9 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 51% | 0.514 | 48% | 0.479 | S | S | . | . | trans | -133.7 | 93.3 | 180 | -75.9 | -166.4 | -132.1 | 0 | 0 | 107.8 | Y314 L318 I319 D320 | Y314-E316 PolarHBondContact O-N 3.09Å; E316-L318 PolarHBondContact O-N 3.41Å; E316-I319 HydrophobicContact CB-CB 3.91Å; E316-I319 HydrophobicContact CB-CD1 4.08Å; E316-I319 HydrophobicContact CB-CG1 3.97Å; E316-I319 HydrophobicContact CG-CD1 4.45Å; E316-I319 CarbonylContact O-C 3.6Å; E316-I319 WeakPolarHBondContact O-CA 3.28Å; E316-I319 PolarHBondContact O-N 3.34Å; E316-I319 WeakPolarHBondContact OE2-CD1 3.38Å; E316-D320 PolarHBondContact N-OD2 2.98Å; E316-D320 PolarHBondContact O-N 2.94Å | ||
| 317 | P | 86.7 | Confident | 83.6 | Confident | 105 Ų | 105 | 89.7 Ų | 89.7 | 68% | 0.682 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -53.4 | -36.3 | -165 | -30.4 | 34.5 | 0 | 0 | 0 | 115.1 | S321 | P317-S321 VanDerWaalsContact O-CB 3.28Å; P317-S321 WeakPolarHBondContact O-CB 3.26Å; P317-S321 PolarHBondContact O-N 2.81Å |
| 318 | L | 89.9 | Confident | 84.8 | Confident | 155 Ų | 155 | 91.9 Ų | 91.9 | 81% | 0.812 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -71.2 | -40.8 | 177.6 | -64.8 | 177.1 | 0 | 0 | 0 | 112.1 | E316 A322 | E316-L318 PolarHBondContact O-N 3.41Å; L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.36Å |
| 319 | I | 88.2 | Confident | 85.9 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 49% | 0.492 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 176.5 | -58.9 | -169.3 | 0 | 0 | 0 | 109.8 | E316 S321 A322 R323 | E316-I319 HydrophobicContact CB-CB 3.91Å; E316-I319 HydrophobicContact CB-CD1 4.08Å; E316-I319 HydrophobicContact CB-CG1 3.97Å; E316-I319 HydrophobicContact CG-CD1 4.45Å; E316-I319 CarbonylContact O-C 3.6Å; E316-I319 WeakPolarHBondContact O-CA 3.28Å; E316-I319 PolarHBondContact O-N 3.34Å; E316-I319 WeakPolarHBondContact OE2-CD1 3.38Å; I319-S321 VanDerWaalsContact C-N 3.33Å; I319-S321 PolarHBondContact O-N 2.82Å; I319-A322 PolarHBondContact O-N 3.43Å; I319-R323 WeakPolarHBondContact O-CB 3.33Å; I319-R323 PolarHBondContact O-N 2.95Å |
| 320 | D | 88.3 | Confident | 86.8 | Confident | 59 Ų | 59 | 94 Ų | 94 | 32% | 0.316 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63 | -40.7 | 179.7 | -65.5 | -32.9 | 0 | 0 | 0 | 111.3 | E316 K324 | E316-D320 PolarHBondContact N-OD2 2.98Å; E316-D320 PolarHBondContact O-N 2.94Å; D320-K324 WeakPolarHBondContact O-CB 3.24Å; D320-K324 PolarHBondContact O-N 3Å |
| 321 | S | 90.1 | Very high | 87.8 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 173.2 | 179.1 | 0 | 0 | 0 | 0 | 112 | P317 I319 R323 K324 V325 | P317-S321 VanDerWaalsContact O-CB 3.28Å; P317-S321 WeakPolarHBondContact O-CB 3.26Å; P317-S321 PolarHBondContact O-N 2.81Å; I319-S321 VanDerWaalsContact C-N 3.33Å; I319-S321 PolarHBondContact O-N 2.82Å; S321-R323 VanDerWaalsContact C-N 3.32Å; S321-R323 PolarHBondContact O-N 3.42Å; S321-K324 PolarHBondContact O-N 3.49Å; S321-V325 WeakPolarHBondContact O-CG2 3.36Å; S321-V325 PolarHBondContact O-N 2.96Å; S321-V325 VanDerWaalsContact O-N 3.11Å |
| 322 | A | 90.7 | Very high | 88.7 | Confident | 59 Ų | 59 | 92.5 Ų | 92.5 | 49% | 0.488 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63 | -40.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L318 I319 V325 K326 | L318-A322 WeakPolarHBondContact O-CB 3.48Å; L318-A322 PolarHBondContact O-N 3.36Å; I319-A322 PolarHBondContact O-N 3.43Å; A322-V325 PolarHBondContact O-N 2.92Å; A322-K326 PolarHBondContact O-N 2.73Å; A322-K326 VanDerWaalsContact O-N 3.15Å |
| 323 | R | 88.4 | Confident | 89.3 | Confident | 109 Ų | 109 | 94.3 Ų | 94.3 | 41% | 0.411 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 174.3 | 178.1 | 178 | 170.8 | 169.7 | -13.4 | 111.3 | S309 I319 S321 V325 K326 D327 | S309-R323 VanDerWaalsContact OG-CZ 3.29Å; S309-R323 PolarHBondContact OG-NH1 3.02Å; S309-R323 PolarHBondContact OG-NH2 3.43Å; S309-R323 VanDerWaalsContact OG-NH2 3.12Å; I319-R323 WeakPolarHBondContact O-CB 3.33Å; I319-R323 PolarHBondContact O-N 2.95Å; S321-R323 VanDerWaalsContact C-N 3.32Å; S321-R323 PolarHBondContact O-N 3.42Å; R323-V325 VanDerWaalsContact C-N 3.29Å; R323-V325 PolarHBondContact O-N 2.71Å; R323-K326 CarbonylContact O-C 3.51Å; R323-K326 WeakPolarHBondContact O-CA 3.37Å; R323-K326 PolarHBondContact O-N 3.14Å; R323-D327 IonicContact NE-OD2 2.87Å; R323-D327 PolarHBondContact NE-OD2 3.44Å; R323-D327 PolarHBondContact O-N 3.07Å |
| 324 | K | 90.1 | Very high | 89.9 | Confident | 132 Ų | 132 | 98.4 Ų | 98.4 | 57% | 0.574 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -56.2 | -44.1 | 178.7 | -174.6 | -177.8 | 176.4 | -171.3 | 0 | 111.7 | D320 S321 K326 D327 E328 | D320-K324 WeakPolarHBondContact O-CB 3.24Å; D320-K324 PolarHBondContact O-N 3Å; S321-K324 PolarHBondContact O-N 3.49Å; K324-K326 VanDerWaalsContact C-N 3.3Å; K324-K326 PolarHBondContact O-N 2.99Å; K324-D327 PolarHBondContact O-N 2.88Å; K324-E328 WeakPolarHBondContact CE-OE1 3.42Å; K324-E328 WeakPolarHBondContact O-CG 3.45Å; K324-E328 PolarHBondContact O-N 2.93Å |
| 325 | V | 93.2 | Very high | 90.6 | Very high | 69 Ų | 69 | 99.9 Ų | 99.9 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 111.2 | S321 A322 R323 E328 E329 | S321-V325 WeakPolarHBondContact O-CG2 3.36Å; S321-V325 PolarHBondContact O-N 2.96Å; S321-V325 VanDerWaalsContact O-N 3.11Å; A322-V325 PolarHBondContact O-N 2.92Å; R323-V325 VanDerWaalsContact C-N 3.29Å; R323-V325 PolarHBondContact O-N 2.71Å; V325-E328 PolarHBondContact O-N 2.8Å; V325-E329 WeakPolarHBondContact O-CG 3.46Å; V325-E329 PolarHBondContact O-N 3.37Å |
| 326 | K | 92.9 | Very high | 91.2 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -36.5 | 177.5 | -70.5 | -64.3 | 173.8 | -147.8 | 0 | 113.7 | A322 R323 K324 E329 L330 | A322-K326 PolarHBondContact O-N 2.73Å; A322-K326 VanDerWaalsContact O-N 3.15Å; R323-K326 CarbonylContact O-C 3.51Å; R323-K326 WeakPolarHBondContact O-CA 3.37Å; R323-K326 PolarHBondContact O-N 3.14Å; K324-K326 VanDerWaalsContact C-N 3.3Å; K324-K326 PolarHBondContact O-N 2.99Å; K326-E329 WeakPolarHBondContact CD-OE2 3.36Å; K326-E329 IonicContact NZ-OE1 2.85Å; K326-E329 PolarHBondContact NZ-OE1 2.86Å; K326-E329 IonicContact NZ-OE2 2.72Å; K326-E329 PolarHBondContact NZ-OE2 3.24Å; K326-E329 PolarHBondContact O-N 3.02Å; K326-L330 VanDerWaalsContact O-CB 3.28Å; K326-L330 WeakPolarHBondContact O-CB 3.41Å; K326-L330 PolarHBondContact O-N 3.12Å |
| 327 | D | 91.9 | Very high | 91.3 | Very high | 80 Ų | 80 | 100.3 Ų | 100.3 | 43% | 0.428 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 174.5 | -72.4 | -22.6 | 0 | 0 | 0 | 110.5 | R323 K324 L330 E331 | R323-D327 IonicContact NE-OD2 2.87Å; R323-D327 PolarHBondContact NE-OD2 3.44Å; R323-D327 PolarHBondContact O-N 3.07Å; K324-D327 PolarHBondContact O-N 2.88Å; D327-L330 PolarHBondContact O-N 2.83Å; D327-E331 WeakPolarHBondContact O-CB 3.5Å; D327-E331 PolarHBondContact O-N 2.99Å |
| 328 | E | 94.2 | Very high | 91.5 | Very high | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.6 | -43.3 | 173.7 | -72 | 172.7 | -175.7 | 0 | 0 | 112.5 | K324 V325 L330 E331 S332 | K324-E328 WeakPolarHBondContact CE-OE1 3.42Å; K324-E328 WeakPolarHBondContact O-CG 3.45Å; K324-E328 PolarHBondContact O-N 2.93Å; V325-E328 PolarHBondContact O-N 2.8Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.91Å; E328-E331 PolarHBondContact O-N 3.25Å; E328-S332 WeakPolarHBondContact O-CB 3.27Å; E328-S332 PolarHBondContact O-N 2.97Å |
| 329 | E | 93.8 | Very high | 91.6 | Very high | 80 Ų | 80 | 101.9 Ų | 101.9 | 37% | 0.374 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 173.1 | -79.2 | 178.9 | -155.3 | 0 | 0 | 111.6 | V325 K326 S332 K333 | V325-E329 WeakPolarHBondContact O-CG 3.46Å; V325-E329 PolarHBondContact O-N 3.37Å; K326-E329 WeakPolarHBondContact CD-OE2 3.36Å; K326-E329 IonicContact NZ-OE1 2.85Å; K326-E329 PolarHBondContact NZ-OE1 2.86Å; K326-E329 IonicContact NZ-OE2 2.72Å; K326-E329 PolarHBondContact NZ-OE2 3.24Å; K326-E329 PolarHBondContact O-N 3.02Å; E329-S332 PolarHBondContact O-N 3.24Å; E329-K333 WeakPolarHBondContact O-CG 3.37Å; E329-K333 PolarHBondContact O-N 3.44Å |
| 330 | L | 91.6 | Very high | 91.6 | Very high | 80 Ų | 80 | 103 Ų | 103 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68 | -42.4 | -179.2 | -173 | 149.1 | 0 | 0 | 0 | 111.2 | K326 D327 E328 K333 R334 | K326-L330 VanDerWaalsContact O-CB 3.28Å; K326-L330 WeakPolarHBondContact O-CB 3.41Å; K326-L330 PolarHBondContact O-N 3.12Å; D327-L330 PolarHBondContact O-N 2.83Å; E328-L330 VanDerWaalsContact C-N 3.32Å; E328-L330 PolarHBondContact O-N 2.91Å; L330-K333 PolarHBondContact O-N 2.89Å; L330-R334 HydrophobicContact CD2-CG 4.27Å; L330-R334 WeakPolarHBondContact O-CG 3.3Å; L330-R334 PolarHBondContact O-N 2.91Å |
| 331 | E | 94.3 | Very high | 91.6 | Very high | 96 Ų | 96 | 105.6 Ų | 105.6 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.3 | -40.9 | 176.4 | -165.2 | 176.3 | 177.3 | 0 | 0 | 111.7 | D327 E328 K333 R334 R335 | D327-E331 WeakPolarHBondContact O-CB 3.5Å; D327-E331 PolarHBondContact O-N 2.99Å; E328-E331 PolarHBondContact O-N 3.25Å; E331-K333 VanDerWaalsContact C-N 3.34Å; E331-K333 PolarHBondContact O-N 3.46Å; E331-R334 PolarHBondContact O-N 3.49Å; E331-R335 WeakPolarHBondContact O-CG 3.42Å; E331-R335 PolarHBondContact O-N 3.48Å; E331-R335 IonicContact OE1-CZ 3.8Å; E331-R335 IonicContact OE1-NE 2.8Å; E331-R335 IonicContact OE1-NH2 3.68Å; E331-R335 PolarHBondContact OE1-NH2 3.24Å; E331-R335 IonicContact OE2-NH2 2.8Å |
| 332 | S | 93.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 107 Ų | 107 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.2 | -45.3 | 173.2 | -174.5 | 0 | 0 | 0 | 0 | 111.8 | E328 E329 R335 Q336 | E328-S332 WeakPolarHBondContact O-CB 3.27Å; E328-S332 PolarHBondContact O-N 2.97Å; E329-S332 PolarHBondContact O-N 3.24Å; S332-R335 PolarHBondContact O-N 3.09Å; S332-Q336 WeakPolarHBondContact O-CG 3.44Å; S332-Q336 PolarHBondContact O-N 3.14Å |
| 333 | K | 92.5 | Very high | 91.3 | Very high | 142 Ų | 142 | 108.4 Ų | 108.4 | 62% | 0.617 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.7 | -40.4 | 175.9 | -75.9 | -178.8 | 179.4 | 178.6 | 0 | 113 | E329 L330 E331 Q336 S337 | E329-K333 WeakPolarHBondContact O-CG 3.37Å; E329-K333 PolarHBondContact O-N 3.44Å; L330-K333 PolarHBondContact O-N 2.89Å; E331-K333 VanDerWaalsContact C-N 3.34Å; E331-K333 PolarHBondContact O-N 3.46Å; K333-Q336 PolarHBondContact O-N 3.27Å; K333-S337 WeakPolarHBondContact O-CB 3.43Å; K333-S337 PolarHBondContact O-N 3.34Å |
| 334 | R | 91.5 | Very high | 91.1 | Very high | 161 Ų | 161 | 106.9 Ų | 106.9 | 61% | 0.608 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.5 | -49.3 | 174.7 | -77.2 | -177.1 | 178 | 172.8 | 2.8 | 111.2 | L330 E331 Q336 S337 E338 | L330-R334 HydrophobicContact CD2-CG 4.27Å; L330-R334 WeakPolarHBondContact O-CG 3.3Å; L330-R334 PolarHBondContact O-N 2.91Å; E331-R334 PolarHBondContact O-N 3.49Å; R334-Q336 VanDerWaalsContact C-N 3.32Å; R334-Q336 PolarHBondContact O-N 3.47Å; R334-S337 PolarHBondContact O-N 2.89Å; R334-S337 VanDerWaalsContact O-N 3.16Å; R334-E338 WeakPolarHBondContact O-CG 3.31Å; R334-E338 PolarHBondContact O-N 3.28Å |
| 335 | R | 93.6 | Very high | 90.7 | Very high | 134 Ų | 134 | 104.7 Ų | 104.7 | 51% | 0.506 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 177.8 | -68.2 | 176.9 | -172.7 | 174.7 | 3.5 | 112.4 | E331 S332 R339 | E331-R335 WeakPolarHBondContact O-CG 3.42Å; E331-R335 PolarHBondContact O-N 3.48Å; E331-R335 IonicContact OE1-CZ 3.8Å; E331-R335 IonicContact OE1-NE 2.8Å; E331-R335 IonicContact OE1-NH2 3.68Å; E331-R335 PolarHBondContact OE1-NH2 3.24Å; E331-R335 IonicContact OE2-NH2 2.8Å; S332-R335 PolarHBondContact O-N 3.09Å; R335-R339 WeakPolarHBondContact O-CB 3.23Å; R335-R339 VanDerWaalsContact O-CG 3.28Å; R335-R339 WeakPolarHBondContact O-CG 3.4Å; R335-R339 PolarHBondContact O-N 3.42Å |
| 336 | Q | 92.4 | Very high | 90.2 | Very high | 122 Ų | 122 | 107.4 Ų | 107.4 | 57% | 0.57 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.7 | -42.9 | 175.1 | -72.8 | 175.7 | 9.8 | 0 | 0 | 112 | S332 K333 R334 R339 H340 | S332-Q336 WeakPolarHBondContact O-CG 3.44Å; S332-Q336 PolarHBondContact O-N 3.14Å; K333-Q336 PolarHBondContact O-N 3.27Å; R334-Q336 VanDerWaalsContact C-N 3.32Å; R334-Q336 PolarHBondContact O-N 3.47Å; Q336-R339 PolarHBondContact O-N 2.89Å; Q336-H340 WeakPolarHBondContact O-CB 3.44Å; Q336-H340 PolarHBondContact O-N 2.93Å |
| 337 | S | 89.3 | Confident | 89.6 | Confident | 70 Ų | 70 | 106.9 Ų | 106.9 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -42.5 | 176.9 | -171.8 | 0 | 0 | 0 | 0 | 112.2 | K333 R334 H340 M341 | K333-S337 WeakPolarHBondContact O-CB 3.43Å; K333-S337 PolarHBondContact O-N 3.34Å; R334-S337 PolarHBondContact O-N 2.89Å; R334-S337 VanDerWaalsContact O-N 3.16Å; S337-H340 PolarHBondContact O-N 3.43Å; S337-M341 WeakPolarHBondContact O-CB 3.2Å; S337-M341 PolarHBondContact O-N 3.18Å |
| 338 | E | 91.3 | Very high | 89 | Confident | 119 Ų | 119 | 106.2 Ų | 106.2 | 56% | 0.556 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -44.7 | 176.2 | -74.9 | 170.4 | -175.4 | 0 | 0 | 111.4 | R334 H340 M341 L342 | R334-E338 WeakPolarHBondContact O-CG 3.31Å; R334-E338 PolarHBondContact O-N 3.28Å; E338-H340 PolarHBondContact O-N 2.83Å; E338-M341 PolarHBondContact O-N 3.29Å; E338-L342 WeakPolarHBondContact O-CB 3.17Å; E338-L342 WeakPolarHBondContact O-CG 3.16Å; E338-L342 PolarHBondContact O-N 3.19Å |
| 339 | R | 91.2 | Very high | 88.1 | Confident | 173 Ų | 173 | 106 Ų | 106 | 65% | 0.653 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.2 | -43 | 174.7 | -74.6 | 174.8 | -178 | -178.2 | 0.2 | 112.3 | R335 Q336 M341 L342 N343 | R335-R339 WeakPolarHBondContact O-CB 3.23Å; R335-R339 VanDerWaalsContact O-CG 3.28Å; R335-R339 WeakPolarHBondContact O-CG 3.4Å; R335-R339 PolarHBondContact O-N 3.42Å; Q336-R339 PolarHBondContact O-N 2.89Å; R339-M341 VanDerWaalsContact C-N 3.34Å; R339-L342 PolarHBondContact O-N 2.83Å; R339-N343 VanDerWaalsContact O-CG 3.27Å; R339-N343 PolarHBondContact O-N 3.45Å |
| 340 | H | 88.4 | Confident | 87 | Confident | 121 Ų | 121 | 106.7 Ų | 106.7 | 56% | 0.56 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63 | -42.7 | 177.5 | -172.6 | 63.2 | 0 | 0 | 0 | 111.6 | Q336 S337 E338 N343 L344 | Q336-H340 WeakPolarHBondContact O-CB 3.44Å; Q336-H340 PolarHBondContact O-N 2.93Å; S337-H340 PolarHBondContact O-N 3.43Å; E338-H340 PolarHBondContact O-N 2.83Å; H340-N343 PolarHBondContact O-N 3.28Å; H340-L344 WeakPolarHBondContact O-CG 3.29Å; H340-L344 PolarHBondContact O-N 2.83Å |
| 341 | M | 88 | Confident | 86.1 | Confident | 112 Ų | 112 | 109.8 Ų | 109.8 | 55% | 0.552 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.9 | -42.5 | 176 | -168.3 | -176.3 | -61.2 | 0 | 0 | 112.3 | S337 E338 R339 L344 L345 | S337-M341 WeakPolarHBondContact O-CB 3.2Å; S337-M341 PolarHBondContact O-N 3.18Å; E338-M341 PolarHBondContact O-N 3.29Å; R339-M341 VanDerWaalsContact C-N 3.34Å; M341-L344 PolarHBondContact O-N 2.77Å; M341-L345 HydrophobicContact CG-CD1 4.48Å; M341-L345 WeakPolarHBondContact O-CG 3.49Å; M341-L345 PolarHBondContact O-N 2.76Å |
| 342 | L | 87.5 | Confident | 84.4 | Confident | 101 Ų | 101 | 107.9 Ų | 107.9 | 53% | 0.529 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.5 | -75.6 | 168.1 | 0 | 0 | 0 | 112.2 | E338 R339 L344 L345 Q346 | E338-L342 WeakPolarHBondContact O-CB 3.17Å; E338-L342 WeakPolarHBondContact O-CG 3.16Å; E338-L342 PolarHBondContact O-N 3.19Å; R339-L342 PolarHBondContact O-N 2.83Å; L342-L344 VanDerWaalsContact C-N 3.35Å; L342-L345 PolarHBondContact O-N 3.43Å; L342-Q346 WeakPolarHBondContact O-CG 3.28Å; L342-Q346 PolarHBondContact O-N 3.29Å |
| 343 | N | 87.7 | Confident | 82.4 | Confident | 90 Ų | 90 | 110.7 Ų | 110.7 | 48% | 0.481 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.7 | -40.7 | 176.4 | -71.5 | -11.2 | 0 | 0 | 0 | 111.8 | R339 H340 Q346 Q347 | R339-N343 VanDerWaalsContact O-CG 3.27Å; R339-N343 PolarHBondContact O-N 3.45Å; H340-N343 PolarHBondContact O-N 3.28Å; N343-Q346 PolarHBondContact O-N 3.43Å; N343-Q347 WeakPolarHBondContact O-CG 3.23Å; N343-Q347 PolarHBondContact O-N 3.33Å |
| 344 | L | 85 | Confident | 80.3 | Confident | 77 Ų | 77 | 111 Ų | 111 | 40% | 0.403 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.8 | -44.1 | 175 | -74.4 | 165.9 | 0 | 0 | 0 | 111.7 | H340 M341 L342 Q346 Q347 I348 | H340-L344 WeakPolarHBondContact O-CG 3.29Å; H340-L344 PolarHBondContact O-N 2.83Å; M341-L344 PolarHBondContact O-N 2.77Å; L342-L344 VanDerWaalsContact C-N 3.35Å; L344-Q346 VanDerWaalsContact C-N 3.34Å; L344-Q346 PolarHBondContact O-N 3.23Å; L344-Q347 PolarHBondContact O-N 3.47Å; L344-I348 VanDerWaalsContact O-CG1 3.3Å; L344-I348 WeakPolarHBondContact O-CG1 3.47Å; L344-I348 PolarHBondContact O-N 3.18Å |
| 345 | L | 81.6 | Confident | 78.3 | Confident | 86 Ų | 86 | 109.7 Ų | 109.7 | 45% | 0.45 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62 | -41.5 | 176 | -73.8 | 169.5 | 0 | 0 | 0 | 111.8 | M341 L342 I348 T349 | M341-L345 HydrophobicContact CG-CD1 4.48Å; M341-L345 WeakPolarHBondContact O-CG 3.49Å; M341-L345 PolarHBondContact O-N 2.76Å; L342-L345 PolarHBondContact O-N 3.43Å; L345-I348 PolarHBondContact O-N 2.89Å; L345-T349 WeakPolarHBondContact O-CG2 3.43Å; L345-T349 PolarHBondContact O-N 2.88Å; L345-T349 PolarHBondContact O-OG1 3.49Å; L345-T349 VanDerWaalsContact O-OG1 3.12Å |
| 346 | Q | 82.7 | Confident | 76 | Confident | 126 Ų | 126 | 112.5 Ų | 112.5 | 59% | 0.589 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -62.1 | -43 | 175.5 | -77.7 | -178 | -5.3 | 0 | 0 | 112.1 | L342 N343 L344 T349 S350 | L342-Q346 WeakPolarHBondContact O-CG 3.28Å; L342-Q346 PolarHBondContact O-N 3.29Å; N343-Q346 PolarHBondContact O-N 3.43Å; L344-Q346 VanDerWaalsContact C-N 3.34Å; L344-Q346 PolarHBondContact O-N 3.23Å; Q346-T349 VanDerWaalsContact CA-OG1 3.32Å; Q346-T349 WeakPolarHBondContact CA-OG1 3.39Å; Q346-T349 PolarHBondContact O-N 3.33Å; Q346-T349 PolarHBondContact O-OG1 3.36Å; Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 3.44Å; Q346-S350 PolarHBondContact O-OG 2.91Å |
| 347 | Q | 80.6 | Confident | 75.2 | Confident | 109 Ų | 109 | 112.1 Ų | 112.1 | 51% | 0.509 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -59.1 | -49 | 174.7 | -77.7 | 178.6 | -21.6 | 0 | 0 | 111.4 | N343 L344 T349 S350 E351 | N343-Q347 WeakPolarHBondContact O-CG 3.23Å; N343-Q347 PolarHBondContact O-N 3.33Å; L344-Q347 PolarHBondContact O-N 3.47Å; Q347-T349 VanDerWaalsContact C-N 3.33Å; Q347-T349 PolarHBondContact O-N 2.81Å; Q347-S350 WeakPolarHBondContact CA-OG 3.24Å; Q347-S350 PolarHBondContact O-N 3.48Å; Q347-S350 VanDerWaalsContact O-N 3.08Å; Q347-S350 PolarHBondContact O-OG 3.06Å; Q347-E351 WeakPolarHBondContact O-CB 3.44Å; Q347-E351 WeakPolarHBondContact O-CG 3.23Å; Q347-E351 PolarHBondContact O-N 2.99Å |
| 348 | I | 78.2 | Confident | 74.5 | Confident | 66 Ų | 66 | 114.3 Ų | 114.3 | 34% | 0.338 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.2 | -42.9 | 178 | -66 | 165.4 | 0 | 0 | 0 | 111.3 | L344 L345 E351 G352 L353 | L344-I348 VanDerWaalsContact O-CG1 3.3Å; L344-I348 WeakPolarHBondContact O-CG1 3.47Å; L344-I348 PolarHBondContact O-N 3.18Å; L345-I348 PolarHBondContact O-N 2.89Å; I348-E351 PolarHBondContact O-N 2.86Å; I348-G352 PolarHBondContact O-N 3.45Å; I348-L353 HydrophobicContact CG2-CB 3.95Å; I348-L353 PolarHBondContact O-N 2.93Å |
| 349 | T | 76.6 | Confident | 73.5 | Confident | 102 Ų | 102 | 114 Ų | 114 | 63% | 0.626 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.5 | -34.6 | 176.1 | 51.9 | 0 | 0 | 0 | 0 | 112.9 | L345 Q346 Q347 G352 | L345-T349 WeakPolarHBondContact O-CG2 3.43Å; L345-T349 PolarHBondContact O-N 2.88Å; L345-T349 PolarHBondContact O-OG1 3.49Å; L345-T349 VanDerWaalsContact O-OG1 3.12Å; Q346-T349 VanDerWaalsContact CA-OG1 3.32Å; Q346-T349 WeakPolarHBondContact CA-OG1 3.39Å; Q346-T349 PolarHBondContact O-N 3.33Å; Q346-T349 PolarHBondContact O-OG1 3.36Å; Q347-T349 VanDerWaalsContact C-N 3.33Å; Q347-T349 PolarHBondContact O-N 2.81Å; T349-G352 PolarHBondContact O-N 3.1Å |
| 350 | S | 70.8 | Confident | 72.5 | Confident | 96 Ų | 96 | 110.5 Ų | 110.5 | 67% | 0.671 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74 | -29.7 | 177.6 | 70 | 0 | 0 | 0 | 0 | 112.9 | Q346 Q347 G352 | Q346-S350 WeakPolarHBondContact O-CB 3.32Å; Q346-S350 PolarHBondContact O-N 3.44Å; Q346-S350 PolarHBondContact O-OG 2.91Å; Q347-S350 WeakPolarHBondContact CA-OG 3.24Å; Q347-S350 PolarHBondContact O-N 3.48Å; Q347-S350 VanDerWaalsContact O-N 3.08Å; Q347-S350 PolarHBondContact O-OG 3.06Å; S350-G352 PolarHBondContact O-N 3.22Å |
| 351 | E | 70.9 | Confident | 71.5 | Confident | 144 Ų | 144 | 109.9 Ų | 109.9 | 67% | 0.673 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 3.3 | 174.4 | -70.3 | -179.5 | 176.9 | 0 | 0 | 112.6 | Q347 I348 L353 | Q347-E351 WeakPolarHBondContact O-CB 3.44Å; Q347-E351 WeakPolarHBondContact O-CG 3.23Å; Q347-E351 PolarHBondContact O-N 2.99Å; I348-E351 PolarHBondContact O-N 2.86Å; E351-L353 PolarHBondContact O-N 2.86Å |
| 352 | G | 59.3 | Low | 70.4 | Confident | 56 Ų | 56 | 109.7 Ų | 109.7 | 58% | 0.577 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.8 | 16.2 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | I348 T349 S350 I354 | I348-G352 PolarHBondContact O-N 3.45Å; T349-G352 PolarHBondContact O-N 3.1Å; S350-G352 PolarHBondContact O-N 3.22Å; G352-I354 PolarHBondContact O-N 2.75Å |
| 353 | L | 51 | Low | 69.2 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 61% | 0.613 | 61% | 0.611 | S | S | * | * | trans | -76.8 | 94.9 | 168.7 | -95.8 | 102.4 | 0 | 0 | 0 | 109.8 | I348 E351 I355 | I348-L353 HydrophobicContact CG2-CB 3.95Å; I348-L353 PolarHBondContact O-N 2.93Å; E351-L353 PolarHBondContact O-N 2.86Å; L353-I355 PolarHBondContact O-N 3.02Å; L353-I355 VanDerWaalsContact O-N 3.09Å | ||
| 354 | I | 48.3 | Very low | 67.8 | Low | 149 Ų | 149 | 111.9 Ų | 111.9 | 76% | 0.764 | 62% | 0.621 | S | S | * | * | trans | -64.7 | 105.5 | 164.7 | -59.9 | 172.9 | 0 | 0 | 0 | 107 | G352 V356 | G352-I354 PolarHBondContact O-N 2.75Å; I354-V356 HydrophobicContact CG2-CG2 4.09Å; I354-V356 PolarHBondContact O-N 3.4Å | ||
| 355 | I | 49.5 | Very low | 66.3 | Low | 134 Ų | 134 | 114.8 Ų | 114.8 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | trans | -73.7 | 105.6 | 166.7 | -55.6 | 175.4 | 0 | 0 | 0 | 106 | L353 | L353-I355 PolarHBondContact O-N 3.02Å; L353-I355 VanDerWaalsContact O-N 3.09Å | ||
| 356 | V | 46.5 | Very low | 64.9 | Low | 193 Ų | 193 | 117.5 Ų | 117.5 | 100% | 1.17 | 66% | 0.656 | S | S | * | * | trans | -80.5 | 0 | 165.3 | -179.4 | 0 | 0 | 0 | 0 | 109.1 | I354 | I354-V356 HydrophobicContact CG2-CG2 4.09Å; I354-V356 PolarHBondContact O-N 3.4Å |
Retrieved 356 of 356 residues in 577 ms
(Link to these results)