| 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 | 47.3 | Very low | 84.9 | Confident | 243 Ų | 243 | 93.6 Ų | 93.6 | 100% | 1.197 | 49% | 0.487 | S | S | * | . | 0 | 126.2 | 0 | -63.4 | -173 | -159.5 | 0 | 0 | 107.7 | S3 | M1-S3 PolarHBondContact O-N 2.82Š| |||
| 2 | S | 63.2 | Low | 85.6 | Confident | 110 Ų | 110 | 87.4 Ų | 87.4 | 77% | 0.769 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -64.4 | 131.2 | 173.7 | 60 | 0 | 0 | 0 | 0 | 108.4 | L4 | S2-L4 PolarHBondContact O-N 3.29Š|
| 3 | S | 79.1 | Confident | 86.2 | Confident | 107 Ų | 107 | 88.2 Ų | 88.2 | 75% | 0.748 | 46% | 0.456 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 137.1 | 177.7 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | M1 | M1-S3 PolarHBondContact O-N 2.82Š|
| 4 | L | 86.3 | Confident | 86.7 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 27% | 0.267 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 133.3 | 174.8 | -137.3 | 80.5 | 0 | 0 | 0 | 109.9 | S2 K6 I8 I9 A32 R33 | S2-L4 PolarHBondContact O-N 3.29Å; L4-K6 PolarHBondContact O-N 3.41Å; L4-I8 HydrophobicContact CD2-CB 3.87Å; L4-I8 HydrophobicContact CD2-CG2 3.45Å; L4-I8 VanDerWaalsContact CD2-CG2 3.45Å; L4-I8 HydrophobicContact CG-CB 4.25Å; L4-I8 HydrophobicContact CG-CG2 4.18Å; L4-I9 HydrophobicContact CB-CD1 4.29Å; L4-I9 HydrophobicContact CB-CG1 4.12Å; L4-I9 HydrophobicContact CD2-CG1 4.1Å; L4-A32 HydrophobicContact CD1-CB 3.78Å; L4-A32 HydrophobicContact CD2-CB 3.72Å; L4-A32 HydrophobicContact CG-CB 4.42Å; L4-R33 HydrophobicContact CD1-CG 4.21Å |
| 5 | P | 89.7 | Confident | 87 | Confident | 46 Ų | 46 | 85.1 Ų | 85.1 | 30% | 0.299 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 137.5 | 175.9 | -27.3 | 33.2 | 0 | 0 | 0 | 111.7 | R7 I8 I9 | P5-R7 PolarHBondContact O-N 2.84Å; P5-I8 HydrophobicContact CB-CG1 4.35Å; P5-I8 HydrophobicContact CG-CD1 4.17Å; P5-I8 PolarHBondContact O-N 2.95Å; P5-I9 PolarHBondContact O-N 2.93Å |
| 6 | K | 93.5 | Very high | 87.1 | Confident | 180 Ų | 180 | 86.9 Ų | 86.9 | 78% | 0.783 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -51.2 | -31.4 | 179.8 | -71.6 | -177.1 | 179.3 | 177.5 | 0 | 113.2 | L4 K10 | L4-K6 PolarHBondContact O-N 3.41Å; K6-K10 WeakPolarHBondContact O-CG 3.36Å; K6-K10 PolarHBondContact O-N 3.4Å |
| 7 | R | 95.5 | Very high | 87.3 | Confident | 73 Ų | 73 | 91.1 Ų | 91.1 | 28% | 0.275 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.3 | -49.8 | 176.1 | 179.1 | 173.7 | 179.6 | 139.7 | -4 | 112.3 | P5 I9 K10 E11 Y62 P63 P97 L99 | P5-R7 PolarHBondContact O-N 2.84Å; R7-I9 VanDerWaalsContact C-N 3.29Å; R7-I9 PolarHBondContact O-N 3.35Å; R7-K10 PolarHBondContact O-N 3.45Å; R7-K10 VanDerWaalsContact O-N 3.17Å; R7-E11 HydrophobicContact CG-CG 4.45Å; R7-E11 VanDerWaalsContact CG-OE1 3.3Å; R7-E11 WeakPolarHBondContact CG-OE1 3.41Å; R7-E11 IonicContact CZ-OE1 2.64Å; R7-E11 IonicContact NE-OE1 3.05Å; R7-E11 PolarHBondContact NE-OE1 2.75Å; R7-E11 IonicContact NH2-OE1 3.76Å; R7-E11 PolarHBondContact NH2-OE1 2.81Å; R7-E11 PolarHBondContact O-N 2.96Å; R7-Y62 HydrophobicContact CG-CE1 4.44Å; R7-P63 VanDerWaalsContact CZ-CB 3.42Å; R7-P97 PolarHBondContact NH1-O 2.85Å; R7-P97 PolarHBondContact NH2-O 2.69Å; R7-L99 PolarHBondContact NH2-O 2.64Å |
| 8 | I | 94.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -61.7 | -42.9 | -178.7 | -58.3 | -176.1 | 0 | 0 | 0 | 110 | L4 P5 K10 E11 T12 R33 L58 Y62 | L4-I8 HydrophobicContact CD2-CB 3.87Å; L4-I8 HydrophobicContact CD2-CG2 3.45Å; L4-I8 VanDerWaalsContact CD2-CG2 3.45Å; L4-I8 HydrophobicContact CG-CB 4.25Å; L4-I8 HydrophobicContact CG-CG2 4.18Å; P5-I8 HydrophobicContact CB-CG1 4.35Å; P5-I8 HydrophobicContact CG-CD1 4.17Å; P5-I8 PolarHBondContact O-N 2.95Å; I8-K10 PolarHBondContact O-N 2.96Å; I8-E11 PolarHBondContact O-N 2.96Å; I8-T12 WeakPolarHBondContact O-CB 3.36Å; I8-T12 PolarHBondContact O-N 2.81Å; I8-T12 PolarHBondContact O-OG1 2.78Å; I8-R33 HydrophobicContact CD1-CG 4.19Å; I8-L58 HydrophobicContact CB-CD1 4.32Å; I8-L58 HydrophobicContact CD1-CB 4.28Å; I8-L58 HydrophobicContact CD1-CD1 3.82Å; I8-L58 HydrophobicContact CG1-CD1 3.88Å; I8-L58 HydrophobicContact CG2-CD1 3.62Å; I8-Y62 HydrophobicContact CD1-CD1 4.3Å; I8-Y62 HydrophobicContact CG1-CD1 4.02Å; I8-Y62 HydrophobicContact CG1-CE1 4.35Å |
| 9 | I | 93.3 | Very high | 87.5 | Confident | 73 Ų | 73 | 90.8 Ų | 90.8 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -58.1 | -48.7 | 176.2 | -59.3 | 173.4 | 0 | 0 | 0 | 110.5 | L4 P5 R7 T12 Q13 | L4-I9 HydrophobicContact CB-CD1 4.29Å; L4-I9 HydrophobicContact CB-CG1 4.12Å; L4-I9 HydrophobicContact CD2-CG1 4.1Å; P5-I9 PolarHBondContact O-N 2.93Å; R7-I9 VanDerWaalsContact C-N 3.29Å; R7-I9 PolarHBondContact O-N 3.35Å; I9-T12 PolarHBondContact O-N 3.05Å; I9-Q13 WeakPolarHBondContact O-CB 3.34Å; I9-Q13 VanDerWaalsContact O-CG 3.28Å; I9-Q13 WeakPolarHBondContact O-CG 3.48Å; I9-Q13 PolarHBondContact O-N 3.49Å |
| 10 | K | 95.7 | Very high | 87.7 | Confident | 139 Ų | 139 | 86.8 Ų | 86.8 | 60% | 0.604 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -64.5 | -42.7 | 179.4 | -77.2 | -174.7 | 175.2 | -171.8 | 0 | 113 | K6 R7 I8 K14 | K6-K10 WeakPolarHBondContact O-CG 3.36Å; K6-K10 PolarHBondContact O-N 3.4Å; R7-K10 PolarHBondContact O-N 3.45Å; R7-K10 VanDerWaalsContact O-N 3.17Å; I8-K10 PolarHBondContact O-N 2.96Å; K10-K14 WeakPolarHBondContact O-CB 3.41Å; K10-K14 WeakPolarHBondContact O-CG 3.4Å; K10-K14 PolarHBondContact O-N 3.09Å |
| 11 | E | 95.7 | Very high | 87.9 | Confident | 8 Ų | 8 | 89.9 Ų | 89.9 | 4% | 0.037 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.8 | -42.3 | 177.8 | -73.6 | -170.1 | -131.3 | 0 | 0 | 111.5 | R7 I8 K14 L15 Y62 Q100 I101 | R7-E11 HydrophobicContact CG-CG 4.45Å; R7-E11 VanDerWaalsContact CG-OE1 3.3Å; R7-E11 WeakPolarHBondContact CG-OE1 3.41Å; R7-E11 IonicContact CZ-OE1 2.64Å; R7-E11 IonicContact NE-OE1 3.05Å; R7-E11 PolarHBondContact NE-OE1 2.75Å; R7-E11 IonicContact NH2-OE1 3.76Å; R7-E11 PolarHBondContact NH2-OE1 2.81Å; R7-E11 PolarHBondContact O-N 2.96Å; I8-E11 PolarHBondContact O-N 2.96Å; E11-K14 PolarHBondContact O-N 3.25Å; E11-L15 WeakPolarHBondContact O-CG 3.46Å; E11-L15 PolarHBondContact O-N 2.71Å; E11-Y62 PolarHBondContact OE1-OH 3.29Å; E11-Y62 PolarHBondContact OE2-OH 3.18Å; E11-Y62 VanDerWaalsContact OE2-OH 3.11Å; E11-Q100 HydrophobicContact CG-CG 4.31Å; E11-Q100 VanDerWaalsContact OE2-CA 3.25Å; E11-Q100 WeakPolarHBondContact OE2-CA 3.28Å; E11-Q100 WeakPolarHBondContact OE2-CB 3.45Å; E11-I101 HydrophobicContact CB-CD1 4.21Å; E11-I101 PolarHBondContact OE2-N 3.05Å |
| 12 | T | 93.3 | Very high | 90.2 | Very high | 19 Ų | 19 | 79.4 Ų | 79.4 | 12% | 0.117 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 176.1 | -53.8 | 0 | 0 | 0 | 0 | 111.3 | I8 I9 K14 L15 I16 P27 F35 | I8-T12 WeakPolarHBondContact O-CB 3.36Å; I8-T12 PolarHBondContact O-N 2.81Å; I8-T12 PolarHBondContact O-OG1 2.78Å; I9-T12 PolarHBondContact O-N 3.05Å; T12-K14 VanDerWaalsContact C-N 3.32Å; T12-K14 PolarHBondContact O-N 2.88Å; T12-L15 PolarHBondContact O-N 2.89Å; T12-I16 HydrophobicContact CG2-CD1 4.06Å; T12-I16 WeakPolarHBondContact O-CG1 3.26Å; T12-I16 PolarHBondContact O-N 3.36Å; T12-I16 VanDerWaalsContact O-N 3.12Å; T12-P27 HydrophobicContact CG2-CB 4.33Å; T12-P27 HydrophobicContact CG2-CG 3.79Å; T12-F35 HydrophobicContact CG2-CE1 4.16Å; T12-F35 WeakPolarHBondContact OG1-CZ 3.15Å |
| 13 | Q | 93.2 | Very high | 91.7 | Very high | 98 Ų | 98 | 74.7 Ų | 74.7 | 46% | 0.458 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 176.4 | -75.7 | 173.4 | -19.6 | 0 | 0 | 111.9 | I9 I16 Q17 | I9-Q13 WeakPolarHBondContact O-CB 3.34Å; I9-Q13 VanDerWaalsContact O-CG 3.28Å; I9-Q13 WeakPolarHBondContact O-CG 3.48Å; I9-Q13 PolarHBondContact O-N 3.49Å; Q13-I16 PolarHBondContact O-N 2.88Å; Q13-Q17 WeakPolarHBondContact O-CB 3.16Å; Q13-Q17 VanDerWaalsContact O-CG 3.26Å; Q13-Q17 WeakPolarHBondContact O-CG 3.38Å; Q13-Q17 PolarHBondContact O-N 3.17Å |
| 14 | K | 93.5 | Very high | 92.5 | Very high | 117 Ų | 117 | 76 Ų | 76 | 51% | 0.509 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -42.2 | 177.2 | -77.5 | -177.8 | 175 | -168.4 | 0 | 112.6 | K10 E11 T12 I16 Q17 D18 | K10-K14 WeakPolarHBondContact O-CB 3.41Å; K10-K14 WeakPolarHBondContact O-CG 3.4Å; K10-K14 PolarHBondContact O-N 3.09Å; E11-K14 PolarHBondContact O-N 3.25Å; T12-K14 VanDerWaalsContact C-N 3.32Å; T12-K14 PolarHBondContact O-N 2.88Å; K14-I16 PolarHBondContact O-N 3.44Å; K14-Q17 PolarHBondContact O-N 3.06Å; K14-D18 CarbonylContact O-C 3.57Å; K14-D18 PolarHBondContact O-N 2.86Å |
| 15 | L | 91.6 | Very high | 92.9 | Very high | 13 Ų | 13 | 74.1 Ų | 74.1 | 7% | 0.068 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.1 | -34.5 | 176.3 | -75 | 167.2 | 0 | 0 | 0 | 112.5 | E11 T12 D18 P19 A25 I101 R102 | E11-L15 WeakPolarHBondContact O-CG 3.46Å; E11-L15 PolarHBondContact O-N 2.71Å; T12-L15 PolarHBondContact O-N 2.89Å; L15-D18 CarbonylContact O-C 3.5Å; L15-P19 WeakPolarHBondContact O-CA 3.46Å; L15-A25 HydrophobicContact CD1-CB 4.28Å; L15-I101 HydrophobicContact CD1-CB 3.96Å; L15-I101 HydrophobicContact CD1-CD1 4.1Å; L15-I101 HydrophobicContact CD1-CG2 3.64Å; L15-R102 HydrophobicContact CD2-CB 4.02Å |
| 16 | I | 88.2 | Confident | 93.1 | Very high | 114 Ų | 114 | 75.2 Ų | 75.2 | 59% | 0.585 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -77.7 | -44.5 | 178.5 | -65.7 | 166.8 | 0 | 0 | 0 | 111.4 | T12 Q13 K14 | T12-I16 HydrophobicContact CG2-CD1 4.06Å; T12-I16 WeakPolarHBondContact O-CG1 3.26Å; T12-I16 PolarHBondContact O-N 3.36Å; T12-I16 VanDerWaalsContact O-N 3.12Å; Q13-I16 PolarHBondContact O-N 2.88Å; K14-I16 PolarHBondContact O-N 3.44Å |
| 17 | Q | 91.2 | Very high | 93.2 | Very high | 158 Ų | 158 | 68.3 Ų | 68.3 | 74% | 0.738 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -73.2 | -31.3 | -176.5 | -72.9 | 175 | -1.4 | 0 | 0 | 112.8 | Q13 K14 | Q13-Q17 WeakPolarHBondContact O-CB 3.16Å; Q13-Q17 VanDerWaalsContact O-CG 3.26Å; Q13-Q17 WeakPolarHBondContact O-CG 3.38Å; Q13-Q17 PolarHBondContact O-N 3.17Å; K14-Q17 PolarHBondContact O-N 3.06Å |
| 18 | D | 90.8 | Very high | 93.1 | Very high | 99 Ų | 99 | 67 Ų | 67 | 53% | 0.529 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -137 | 87.1 | -178.9 | -179.1 | 16.2 | 0 | 0 | 0 | 106 | K14 L15 R102 | K14-D18 CarbonylContact O-C 3.57Å; K14-D18 PolarHBondContact O-N 2.86Å; L15-D18 CarbonylContact O-C 3.5Å; D18-R102 PolarHBondContact O-NH2 3.4Å; D18-R102 IonicContact OD1-NH2 2.68Å; D18-R102 PolarHBondContact OD1-NH2 2.89Å; D18-R102 IonicContact OD2-CZ 3.47Å; D18-R102 IonicContact OD2-NH2 3.42Å; D18-R102 PolarHBondContact OD2-NH2 2.94Å |
| 19 | P | 86.8 | Confident | 93 | Very high | 78 Ų | 78 | 76.2 Ų | 76.2 | 51% | 0.506 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 151.9 | 172.2 | 27 | -31.5 | 0 | 0 | 0 | 110.3 | L15 | L15-P19 WeakPolarHBondContact O-CA 3.46Š|
| 20 | C | 90.8 | Very high | 93 | Very high | 10 Ų | 10 | 79.9 Ų | 79.9 | 7% | 0.068 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -83 | 149.4 | 172.7 | -37.5 | 0 | 0 | 0 | 0 | 109.3 | G22 I23 R102 L106 | C20-G22 PolarHBondContact O-N 2.95Å; C20-I23 HydrophobicContact CB-CB 3.98Å; C20-I23 HydrophobicContact CB-CD1 4.17Å; C20-I23 HydrophobicContact CB-CG1 4.26Å; C20-I23 PolarHBondContact O-N 2.98Å; C20-I23 VanDerWaalsContact O-O 3.1Å; C20-R102 PolarHBondContact SG-NH1 3.36Å; C20-L106 HydrophobicContact CB-CD2 4.15Å |
| 21 | D | 91.9 | Very high | 92.9 | Very high | 152 Ų | 152 | 76.3 Ų | 76.3 | 81% | 0.813 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 123.7 | 174.4 | -74.3 | -11.1 | 0 | 0 | 0 | 110.7 | I23 | D21-I23 PolarHBondContact O-N 2.58Š|
| 22 | G | 95.3 | Very high | 92.8 | Very high | 23 Ų | 23 | 78 Ų | 78 | 24% | 0.237 | 41% | 0.412 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 66.1 | 17.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | C20 I39 D40 | C20-G22 PolarHBondContact O-N 2.95Å; G22-I39 CarbonylContact O-C 3.38Å; G22-I39 WeakPolarHBondContact O-CA 3.32Å; G22-D40 VanDerWaalsContact CA-OD2 3.27Å; G22-D40 WeakPolarHBondContact CA-OD2 3.34Å; G22-D40 PolarHBondContact O-N 3.08Å |
| 23 | I | 96.3 | Very high | 93 | Very high | 10 Ų | 10 | 78.9 Ų | 78.9 | 5% | 0.051 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 122.6 | 174.5 | -52.9 | -179.8 | 0 | 0 | 0 | 109.8 | C20 D21 V37 S38 I39 L105 L106 Q109 | C20-I23 HydrophobicContact CB-CB 3.98Å; C20-I23 HydrophobicContact CB-CD1 4.17Å; C20-I23 HydrophobicContact CB-CG1 4.26Å; C20-I23 PolarHBondContact O-N 2.98Å; C20-I23 VanDerWaalsContact O-O 3.1Å; D21-I23 PolarHBondContact O-N 2.58Å; I23-V37 HydrophobicContact CG2-CG1 4.46Å; I23-S38 WeakPolarHBondContact CA-O 3.36Å; I23-I39 HydrophobicContact CG1-CG1 4.24Å; I23-I39 HydrophobicContact CG2-CG1 4.2Å; I23-L105 HydrophobicContact CD1-CB 4.02Å; I23-L105 HydrophobicContact CG2-CB 3.94Å; I23-L105 HydrophobicContact CG2-CD1 3.7Å; I23-L105 HydrophobicContact CG2-CG 4.42Å; I23-L106 HydrophobicContact CD1-CD2 3.83Å; I23-L106 HydrophobicContact CD1-CG 4.17Å; I23-Q109 HydrophobicContact CD1-CB 4.25Å |
| 24 | K | 94.6 | Very high | 93.2 | Very high | 134 Ų | 134 | 76.9 Ų | 76.9 | 58% | 0.583 | 40% | 0.402 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 132.6 | 170.3 | -170.9 | -179.9 | 176.5 | -176.5 | 0 | 108.9 | V26 V37 S38 | K24-V26 HydrophobicContact CD-CG2 4.45Å; K24-V26 HydrophobicContact CG-CG2 4.05Å; K24-V37 CarbonylContact O-C 3.5Å; K24-V37 WeakPolarHBondContact O-CA 3.29Å; K24-V37 WeakPolarHBondContact O-CG1 3.22Å; K24-S38 WeakPolarHBondContact CB-OG 3.38Å; K24-S38 PolarHBondContact N-O 3.22Å; K24-S38 PolarHBondContact O-N 2.91Å |
| 25 | A | 95.4 | Very high | 93.4 | Very high | 13 Ų | 13 | 71.3 Ų | 71.3 | 11% | 0.107 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 116.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L15 V37 L105 | L15-A25 HydrophobicContact CD1-CB 4.28Å; A25-V37 HydrophobicContact CB-CG2 3.96Å; A25-L105 HydrophobicContact CB-CD1 3.76Å |
| 26 | V | 93.6 | Very high | 93.7 | Very high | 69 Ų | 69 | 75.6 Ų | 75.6 | 42% | 0.418 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 129.7 | -175.9 | -172.4 | 0 | 0 | 0 | 0 | 108.8 | K24 F35 L36 | K24-V26 HydrophobicContact CD-CG2 4.45Å; K24-V26 HydrophobicContact CG-CG2 4.05Å; V26-F35 CarbonylContact O-C 3.6Å; V26-F35 VanDerWaalsContact O-CA 3.26Å; V26-F35 WeakPolarHBondContact O-CA 3.49Å; V26-L36 PolarHBondContact N-O 2.98Å; V26-L36 PolarHBondContact O-N 2.68Å |
| 27 | P | 95 | Very high | 94.1 | Very high | 35 Ų | 35 | 70.4 Ų | 70.4 | 23% | 0.227 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 143.6 | 174.3 | 29.5 | -35.8 | 0 | 0 | 0 | 110.6 | T12 Y34 F35 | T12-P27 HydrophobicContact CG2-CB 4.33Å; T12-P27 HydrophobicContact CG2-CG 3.79Å; P27-Y34 CarbonylContact C-O 3.46Å; P27-Y34 WeakPolarHBondContact CA-O 3.36Å; P27-F35 HydrophobicContact CB-CD1 4.2Å; P27-F35 HydrophobicContact CB-CE1 3.95Å; P27-F35 HydrophobicContact CB-CZ 4.36Å |
| 28 | D | 94.6 | Very high | 94.4 | Very high | 46 Ų | 46 | 64 Ų | 64 | 25% | 0.246 | 35% | 0.347 | C | S | . | . | trans | -65.5 | 142.6 | 172 | 177.8 | -93.5 | 0 | 0 | 0 | 111.1 | N30 N31 Y34 | D28-N30 PolarHBondContact O-N 3.43Å; D28-N30 WeakPolarHBondContact OD1-CA 3.39Å; D28-N30 WeakPolarHBondContact OD1-CB 3.32Å; D28-N30 PolarHBondContact OD1-N 2.92Å; D28-N31 CarbonylContact O-C 3.53Å; D28-N31 PolarHBondContact O-N 3.37Å; D28-N31 PolarHBondContact OD1-N 3.33Å; D28-Y34 HydrophobicContact CB-CD1 3.87Å; D28-Y34 HydrophobicContact CB-CG 4.45Å; D28-Y34 PolarHBondContact N-O 3.02Å | ||
| 29 | E | 91.6 | Very high | 94.7 | Very high | 192 Ų | 192 | 59.3 Ų | 59.3 | 90% | 0.897 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -63.7 | -30.4 | -176 | -61.6 | -175.2 | 169.7 | 0 | 0 | 112.7 | ||
| 30 | N | 93.2 | Very high | 95.2 | Very high | 151 Ų | 151 | 58.9 Ų | 58.9 | 81% | 0.807 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -98.8 | -18.1 | -177.1 | -56.7 | -66.1 | 0 | 0 | 0 | 112.4 | D28 | D28-N30 PolarHBondContact O-N 3.43Å; D28-N30 WeakPolarHBondContact OD1-CA 3.39Å; D28-N30 WeakPolarHBondContact OD1-CB 3.32Å; D28-N30 PolarHBondContact OD1-N 2.92Å |
| 31 | N | 94.5 | Very high | 95.5 | Very high | 64 Ų | 64 | 58.9 Ų | 58.9 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | trans | -144.1 | 97.7 | -177.3 | -174.1 | -3.3 | 0 | 0 | 0 | 112.4 | D28 R33 Y34 | D28-N31 CarbonylContact O-C 3.53Å; D28-N31 PolarHBondContact O-N 3.37Å; D28-N31 PolarHBondContact OD1-N 3.33Å; N31-R33 PolarHBondContact O-N 3.12Å; N31-R33 WeakPolarHBondContact OD1-CB 3.44Å; N31-R33 PolarHBondContact OD1-N 2.91Å; N31-Y34 WeakPolarHBondContact O-CB 3.41Å; N31-Y34 PolarHBondContact O-N 3.29Å; N31-Y34 VanDerWaalsContact O-O 3.12Å | ||
| 32 | A | 94 | Very high | 95.8 | Very high | 42 Ų | 42 | 52.3 Ų | 52.3 | 35% | 0.347 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 0.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | L4 | L4-A32 HydrophobicContact CD1-CB 3.78Å; L4-A32 HydrophobicContact CD2-CB 3.72Å; L4-A32 HydrophobicContact CG-CB 4.42Å |
| 33 | R | 96.8 | Very high | 95.8 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 15% | 0.147 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -12.2 | 167.9 | -69.7 | 176.1 | 168.1 | -85.6 | 7.2 | 112.7 | L4 I8 N31 F57 L58 P59 | L4-R33 HydrophobicContact CD1-CG 4.21Å; I8-R33 HydrophobicContact CD1-CG 4.19Å; N31-R33 PolarHBondContact O-N 3.12Å; N31-R33 WeakPolarHBondContact OD1-CB 3.44Å; N31-R33 PolarHBondContact OD1-N 2.91Å; R33-F57 HydrophobicContact CB-CD2 4.24Å; R33-F57 HydrophobicContact CB-CE2 3.87Å; R33-F57 CarbonylContact O-C 3.56Å; R33-F57 WeakPolarHBondContact O-CA 3.49Å; R33-L58 HydrophobicContact CB-CB 4.16Å; R33-L58 WeakPolarHBondContact CD-O 3.26Å; R33-L58 HydrophobicContact CG-CB 4.44Å; R33-L58 PolarHBondContact NH1-O 3.41Å; R33-L58 VanDerWaalsContact NH1-O 3.09Å; R33-L58 PolarHBondContact O-N 2.9Å; R33-P59 PolarHBondContact NH1-O 3.25Å |
| 34 | Y | 97.7 | Very high | 95.8 | Very high | 56 Ų | 56 | 66.5 Ų | 66.5 | 22% | 0.22 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 138.4 | 178.6 | -166.6 | -88.7 | 0 | 0 | 0 | 109.2 | P27 D28 N31 L36 E55 L56 F57 | P27-Y34 CarbonylContact C-O 3.46Å; P27-Y34 WeakPolarHBondContact CA-O 3.36Å; D28-Y34 HydrophobicContact CB-CD1 3.87Å; D28-Y34 HydrophobicContact CB-CG 4.45Å; D28-Y34 PolarHBondContact N-O 3.02Å; N31-Y34 WeakPolarHBondContact O-CB 3.41Å; N31-Y34 PolarHBondContact O-N 3.29Å; N31-Y34 VanDerWaalsContact O-O 3.12Å; Y34-L36 HydrophobicContact CE1-CD2 3.92Å; Y34-E55 HydrophobicContact CE1-CB 4.21Å; Y34-E55 HydrophobicContact CE2-CB 4.15Å; Y34-E55 WeakPolarHBondContact OH-CB 3.34Å; Y34-E55 PolarHBondContact OH-OE2 2.82Å; Y34-L56 CarbonylContact C-O 3.54Å; Y34-L56 WeakPolarHBondContact CA-O 3.36Å; Y34-F57 HydrophobicContact CD2-CB 4.22Å; Y34-F57 HydrophobicContact CD2-CD2 4.18Å |
| 35 | F | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 133.2 | -176.6 | -66.9 | -103.8 | 0 | 0 | 0 | 109.4 | T12 V26 P27 V37 L56 L58 I101 | T12-F35 HydrophobicContact CG2-CE1 4.16Å; T12-F35 WeakPolarHBondContact OG1-CZ 3.15Å; V26-F35 CarbonylContact O-C 3.6Å; V26-F35 VanDerWaalsContact O-CA 3.26Å; V26-F35 WeakPolarHBondContact O-CA 3.49Å; P27-F35 HydrophobicContact CB-CD1 4.2Å; P27-F35 HydrophobicContact CB-CE1 3.95Å; P27-F35 HydrophobicContact CB-CZ 4.36Å; F35-V37 HydrophobicContact CB-CG2 4.15Å; F35-L56 HydrophobicContact CB-CB 4.18Å; F35-L56 HydrophobicContact CB-CD2 4.2Å; F35-L56 HydrophobicContact CD2-CD2 3.62Å; F35-L56 HydrophobicContact CE2-CD2 4.35Å; F35-L56 HydrophobicContact CG-CD2 4.12Å; F35-L56 PolarHBondContact N-O 2.93Å; F35-L56 PolarHBondContact O-N 3.47Å; F35-L58 HydrophobicContact CD2-CG 4.47Å; F35-L58 HydrophobicContact CE2-CD1 3.59Å; F35-L58 HydrophobicContact CE2-CG 3.98Å; F35-L58 HydrophobicContact CZ-CD1 4.2Å; F35-I101 HydrophobicContact CE1-CD1 4.41Å; F35-I101 HydrophobicContact CE2-CD1 4.21Å; F35-I101 HydrophobicContact CZ-CD1 3.99Å |
| 36 | L | 97 | Very high | 96 | Very high | 102 Ų | 102 | 60.5 Ų | 60.5 | 53% | 0.534 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 123.4 | 164.6 | -61.5 | 175.3 | 0 | 0 | 0 | 107.5 | V26 Y34 | V26-L36 PolarHBondContact N-O 2.98Å; V26-L36 PolarHBondContact O-N 2.68Å; Y34-L36 HydrophobicContact CE1-CD2 3.92Å |
| 37 | V | 97.3 | Very high | 96.3 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 138.8 | -173.9 | 179.6 | 0 | 0 | 0 | 0 | 109.1 | I23 K24 A25 F35 I39 D53 L54 L56 L105 | I23-V37 HydrophobicContact CG2-CG1 4.46Å; K24-V37 CarbonylContact O-C 3.5Å; K24-V37 WeakPolarHBondContact O-CA 3.29Å; K24-V37 WeakPolarHBondContact O-CG1 3.22Å; A25-V37 HydrophobicContact CB-CG2 3.96Å; F35-V37 HydrophobicContact CB-CG2 4.15Å; V37-I39 HydrophobicContact CG1-CG1 4.08Å; V37-D53 CarbonylContact O-C 3.49Å; V37-D53 WeakPolarHBondContact O-CA 3.42Å; V37-L54 HydrophobicContact CB-CB 4.13Å; V37-L54 HydrophobicContact CG1-CD1 4.13Å; V37-L54 PolarHBondContact N-O 2.89Å; V37-L54 PolarHBondContact O-N 2.75Å; V37-L56 HydrophobicContact CG2-CB 4.09Å; V37-L105 HydrophobicContact CG1-CD1 3.89Å; V37-L105 HydrophobicContact CG1-CD2 3.84Å; V37-L105 HydrophobicContact CG1-CG 4.47Å; V37-L105 HydrophobicContact CG2-CD1 4.29Å; V37-L105 HydrophobicContact CG2-CD2 4.34Å |
| 38 | S | 96.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 60.1 Ų | 60.1 | 17% | 0.168 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 132.6 | 165.4 | 74.5 | 0 | 0 | 0 | 0 | 109.3 | I23 K24 F52 | I23-S38 WeakPolarHBondContact CA-O 3.36Å; K24-S38 WeakPolarHBondContact CB-OG 3.38Å; K24-S38 PolarHBondContact N-O 3.22Å; K24-S38 PolarHBondContact O-N 2.91Å; S38-F52 CarbonylContact C-O 3.56Å; S38-F52 WeakPolarHBondContact CA-O 3.19Å |
| 39 | I | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.8 | 175.5 | -66.1 | 178.3 | 0 | 0 | 0 | 108.3 | G22 I23 V37 F52 L54 L105 I108 Q109 L112 | G22-I39 CarbonylContact O-C 3.38Å; G22-I39 WeakPolarHBondContact O-CA 3.32Å; I23-I39 HydrophobicContact CG1-CG1 4.24Å; I23-I39 HydrophobicContact CG2-CG1 4.2Å; V37-I39 HydrophobicContact CG1-CG1 4.08Å; I39-F52 PolarHBondContact N-O 2.85Å; I39-F52 WeakPolarHBondContact O-CD2 3.42Å; I39-F52 PolarHBondContact O-N 2.87Å; I39-L54 HydrophobicContact CB-CD1 4.05Å; I39-L54 HydrophobicContact CD1-CD1 3.67Å; I39-L54 HydrophobicContact CD1-CD2 4.31Å; I39-L54 HydrophobicContact CG1-CD1 3.7Å; I39-L105 HydrophobicContact CD1-CD2 4.5Å; I39-I108 HydrophobicContact CD1-CB 4.27Å; I39-I108 HydrophobicContact CD1-CG2 3.9Å; I39-Q109 HydrophobicContact CG2-CB 3.84Å; I39-Q109 HydrophobicContact CG2-CG 3.81Å; I39-L112 HydrophobicContact CG2-CD1 4.39Å |
| 40 | D | 97.6 | Very high | 96.8 | Very high | 70 Ų | 70 | 51 Ų | 51 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.8 | 169.1 | -65.8 | -4.5 | 0 | 0 | 0 | 108.7 | G22 Q109 | G22-D40 VanDerWaalsContact CA-OD2 3.27Å; G22-D40 WeakPolarHBondContact CA-OD2 3.34Å; G22-D40 PolarHBondContact O-N 3.08Å; D40-Q109 PolarHBondContact O-NE2 2.84Å; D40-Q109 VanDerWaalsContact O-NE2 3.12Å |
| 41 | G | 97.7 | Very high | 97 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 9% | 0.093 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 130.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y47 G50 | G41-Y47 WeakPolarHBondContact CA-O 3.18Å; G41-G50 PolarHBondContact N-O 2.86Å |
| 42 | P | 97.6 | Very high | 97.2 | Very high | 14 Ų | 14 | 43.7 Ų | 43.7 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -58.5 | 146.7 | -176.4 | -23.3 | 31.7 | 0 | 0 | 0 | 112.8 | S45 E48 Q109 L112 S113 | P42-S45 WeakPolarHBondContact O-CB 3.4Å; P42-S45 PolarHBondContact O-N 2.91Å; P42-S45 PolarHBondContact O-OG 3.11Å; P42-E48 WeakPolarHBondContact O-CA 3.46Å; P42-E48 WeakPolarHBondContact O-CB 3.39Å; P42-Q109 HydrophobicContact CG-CG 3.9Å; P42-Q109 VanDerWaalsContact CG-O 3.25Å; P42-Q109 WeakPolarHBondContact CG-O 3.42Å; P42-L112 HydrophobicContact CG-CB 3.93Å; P42-S113 WeakPolarHBondContact CB-OG 3.39Å; P42-S113 WeakPolarHBondContact CG-OG 3.36Å |
| 43 | K | 96.2 | Very high | 97.4 | Very high | 168 Ų | 168 | 44.3 Ų | 44.3 | 73% | 0.73 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 149.9 | 170.9 | -64.3 | -174.9 | -179.9 | -179.3 | 0 | 111 | S45 | K43-S45 PolarHBondContact O-N 2.8Å; K43-S45 VanDerWaalsContact O-N 3.16Å |
| 44 | D | 95.3 | Very high | 97.5 | Very high | 163 Ų | 163 | 42.6 Ų | 42.6 | 87% | 0.872 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 20.6 | -179.3 | -54.9 | -57.5 | 0 | 0 | 0 | 113.6 | E48 | D44-E48 PolarHBondContact N-OE2 2.98Š|
| 45 | S | 97.2 | Very high | 97.5 | Very high | 17 Ų | 17 | 41.8 Ų | 41.8 | 12% | 0.119 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -113.6 | 168.4 | 176.2 | 83.1 | 0 | 0 | 0 | 0 | 111.8 | P42 K43 Y47 E48 | P42-S45 WeakPolarHBondContact O-CB 3.4Å; P42-S45 PolarHBondContact O-N 2.91Å; P42-S45 PolarHBondContact O-OG 3.11Å; K43-S45 PolarHBondContact O-N 2.8Å; K43-S45 VanDerWaalsContact O-N 3.16Å; S45-Y47 PolarHBondContact O-N 2.98Å; S45-Y47 VanDerWaalsContact O-N 3.15Å; S45-Y47 PolarHBondContact OG-N 2.8Å; S45-Y47 VanDerWaalsContact OG-N 3.07Å; S45-E48 PolarHBondContact O-N 2.85Å; S45-E48 PolarHBondContact OG-N 3.33Å |
| 46 | A | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 4% | 0.041 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -9.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | L137 A140 R141 T144 | A46-L137 HydrophobicContact CB-CD2 3.86Å; A46-A140 HydrophobicContact CB-CB 3.58Å; A46-R141 HydrophobicContact CB-CG 3.87Å; A46-R141 WeakPolarHBondContact O-CA 3.24Å; A46-R141 WeakPolarHBondContact O-CG 3.38Å; A46-T144 PolarHBondContact O-OG1 2.97Å |
| 47 | Y | 98.3 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -6.9 | -176.8 | -50.1 | -72 | 0 | 0 | 0 | 112.4 | G41 S45 G49 G50 F52 L75 Y76 H77 L112 P115 W129 A140 T144 | G41-Y47 WeakPolarHBondContact CA-O 3.18Å; S45-Y47 PolarHBondContact O-N 2.98Å; S45-Y47 VanDerWaalsContact O-N 3.15Å; S45-Y47 PolarHBondContact OG-N 2.8Å; S45-Y47 VanDerWaalsContact OG-N 3.07Å; Y47-G49 PolarHBondContact O-N 3.21Å; Y47-G50 PolarHBondContact O-N 3.39Å; Y47-F52 HydrophobicContact CD1-CE1 4.23Å; Y47-F52 HydrophobicContact CD1-CE2 4.48Å; Y47-F52 AromaticContact CD1-CZ 3.75Å; Y47-F52 HydrophobicContact CD1-CZ 3.75Å; Y47-F52 HydrophobicContact CG-CE2 4.49Å; Y47-F52 HydrophobicContact CG-CZ 4.17Å; Y47-L75 HydrophobicContact CE1-CD1 4.32Å; Y47-Y76 PolarHBondContact OH-O 3.31Å; Y47-H77 AromaticContact CE2-CD2 3.91Å; Y47-H77 AromaticContact CZ-CD2 3.56Å; Y47-H77 WeakPolarHBondContact OH-CB 3.3Å; Y47-H77 PolarHBondContact OH-CD2 2.75Å; Y47-L112 HydrophobicContact CD2-CB 3.77Å; Y47-L112 HydrophobicContact CD2-CD2 4.39Å; Y47-L112 WeakPolarHBondContact CD2-O 3.37Å; Y47-L112 HydrophobicContact CE2-CB 4.17Å; Y47-L112 HydrophobicContact CE2-CD2 4.37Å; Y47-L112 WeakPolarHBondContact CE2-O 3.41Å; Y47-L112 HydrophobicContact CG-CB 4.36Å; Y47-P115 HydrophobicContact CE2-CG 4.49Å; Y47-W129 WeakPolarHBondContact OH-CH2 3.25Å; Y47-A140 HydrophobicContact CE1-CB 4.13Å; Y47-T144 WeakPolarHBondContact O-CG2 3.36Å |
| 48 | E | 97.5 | Very high | 97.6 | Very high | 94 Ų | 94 | 39.7 Ų | 39.7 | 44% | 0.439 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 132.6 | -176.8 | -174.8 | 175.4 | 162.3 | 0 | 0 | 112.4 | P42 D44 S45 G50 | P42-E48 WeakPolarHBondContact O-CA 3.46Å; P42-E48 WeakPolarHBondContact O-CB 3.39Å; D44-E48 PolarHBondContact N-OE2 2.98Å; S45-E48 PolarHBondContact O-N 2.85Å; S45-E48 PolarHBondContact OG-N 3.33Å; E48-G50 PolarHBondContact O-N 2.75Å |
| 49 | G | 96.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 49% | 0.485 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | 7.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y47 R149 | Y47-G49 PolarHBondContact O-N 3.21Å; G49-R149 PolarHBondContact O-NE 2.81Å |
| 50 | G | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | trans | -93.2 | 153.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | G41 Y47 E48 A148 | G41-G50 PolarHBondContact N-O 2.86Å; Y47-G50 PolarHBondContact O-N 3.39Å; E48-G50 PolarHBondContact O-N 2.75Å; G50-A148 CarbonylContact C-O 3.5Å; G50-A148 WeakPolarHBondContact CA-O 3.34Å | ||
| 51 | I | 98.1 | Very high | 97.5 | Very high | 61 Ų | 61 | 48 Ų | 48 | 31% | 0.313 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.7 | 170.5 | -60.3 | 171.8 | 0 | 0 | 0 | 106.5 | A148 | I51-A148 PolarHBondContact N-O 2.83Å; I51-A148 WeakPolarHBondContact O-CB 3.25Å |
| 52 | F | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 118 | -175.8 | -59.8 | -91.2 | 0 | 0 | 0 | 109.4 | S38 I39 Y47 L54 F71 T73 L75 L112 T144 A148 | S38-F52 CarbonylContact C-O 3.56Å; S38-F52 WeakPolarHBondContact CA-O 3.19Å; I39-F52 PolarHBondContact N-O 2.85Å; I39-F52 WeakPolarHBondContact O-CD2 3.42Å; I39-F52 PolarHBondContact O-N 2.87Å; Y47-F52 HydrophobicContact CD1-CE1 4.23Å; Y47-F52 HydrophobicContact CD1-CE2 4.48Å; Y47-F52 AromaticContact CD1-CZ 3.75Å; Y47-F52 HydrophobicContact CD1-CZ 3.75Å; Y47-F52 HydrophobicContact CG-CE2 4.49Å; Y47-F52 HydrophobicContact CG-CZ 4.17Å; F52-L54 VanDerWaalsContact O-CD1 3.25Å; F52-L54 WeakPolarHBondContact O-CD1 3.41Å; F52-F71 HydrophobicContact CB-CD1 3.96Å; F52-F71 HydrophobicContact CB-CE1 3.7Å; F52-F71 HydrophobicContact CG-CE1 4.31Å; F52-T73 HydrophobicContact CD1-CG2 3.99Å; F52-L75 HydrophobicContact CD1-CB 4.12Å; F52-L75 HydrophobicContact CD1-CD1 3.95Å; F52-L75 HydrophobicContact CE1-CB 3.78Å; F52-L75 HydrophobicContact CE1-CD1 4.03Å; F52-L112 HydrophobicContact CD2-CD1 4.4Å; F52-T144 HydrophobicContact CZ-CG2 3.98Å; F52-A148 HydrophobicContact CD1-CB 3.88Å; F52-A148 HydrophobicContact CD2-CB 4.49Å; F52-A148 HydrophobicContact CE1-CB 3.51Å; F52-A148 HydrophobicContact CE2-CB 4.15Å; F52-A148 HydrophobicContact CG-CB 4.36Å; F52-A148 HydrophobicContact CZ-CB 3.66Å |
| 53 | D | 98.3 | Very high | 97.4 | Very high | 54 Ų | 54 | 48.5 Ų | 48.5 | 29% | 0.289 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 140.5 | 175 | -66.5 | -37.7 | 0 | 0 | 0 | 110.2 | V37 T72 T73 H150 | V37-D53 CarbonylContact O-C 3.49Å; V37-D53 WeakPolarHBondContact O-CA 3.42Å; D53-T72 WeakPolarHBondContact CB-OG1 3.38Å; D53-T72 PolarHBondContact O-N 3.19Å; D53-T72 PolarHBondContact O-OG1 3.22Å; D53-T72 VanDerWaalsContact O-OG1 3.08Å; D53-T73 WeakPolarHBondContact CB-OG1 3.44Å; D53-T73 PolarHBondContact N-OG1 2.89Å; D53-T73 PolarHBondContact O-N 2.88Å; D53-H150 IonicContact OD2-CE1 2.62Å; D53-H150 IonicContact OD2-NE2 3.01Å |
| 54 | L | 98.5 | Very high | 97.5 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 156.3 | 173.9 | -52.5 | 91 | 0 | 0 | 0 | 109.6 | V37 I39 F52 V69 R70 F71 I86 I108 | V37-L54 HydrophobicContact CB-CB 4.13Å; V37-L54 HydrophobicContact CG1-CD1 4.13Å; V37-L54 PolarHBondContact N-O 2.89Å; V37-L54 PolarHBondContact O-N 2.75Å; I39-L54 HydrophobicContact CB-CD1 4.05Å; I39-L54 HydrophobicContact CD1-CD1 3.67Å; I39-L54 HydrophobicContact CD1-CD2 4.31Å; I39-L54 HydrophobicContact CG1-CD1 3.7Å; F52-L54 VanDerWaalsContact O-CD1 3.25Å; F52-L54 WeakPolarHBondContact O-CD1 3.41Å; L54-V69 HydrophobicContact CB-CG1 4.43Å; L54-V69 HydrophobicContact CD2-CG1 3.88Å; L54-R70 VanDerWaalsContact CA-O 3.22Å; L54-R70 WeakPolarHBondContact CA-O 3.2Å; L54-R70 VanDerWaalsContact CB-O 3.29Å; L54-R70 WeakPolarHBondContact CB-O 3.25Å; L54-F71 HydrophobicContact CD1-CD1 4.17Å; L54-F71 HydrophobicContact CD1-CE1 3.96Å; L54-F71 HydrophobicContact CD2-CD1 3.93Å; L54-F71 HydrophobicContact CD2-CD2 3.91Å; L54-F71 HydrophobicContact CD2-CE1 3.8Å; L54-F71 HydrophobicContact CD2-CE2 3.76Å; L54-F71 HydrophobicContact CD2-CG 4Å; L54-F71 HydrophobicContact CD2-CZ 3.72Å; L54-F71 HydrophobicContact CG-CD1 3.7Å; L54-F71 HydrophobicContact CG-CD2 4.47Å; L54-F71 HydrophobicContact CG-CE1 3.86Å; L54-F71 HydrophobicContact CG-CG 4.04Å; L54-F71 HydrophobicContact CG-CZ 4.31Å; L54-I86 HydrophobicContact CD2-CD1 4.17Å; L54-I108 HydrophobicContact CD2-CG2 4.06Å |
| 55 | E | 98.2 | Very high | 97.6 | Very high | 39 Ų | 39 | 41.9 Ų | 41.9 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 139.3 | 162.3 | 57.7 | 178.5 | -125.6 | 0 | 0 | 109.8 | Y34 V69 R70 T72 | Y34-E55 HydrophobicContact CE1-CB 4.21Å; Y34-E55 HydrophobicContact CE2-CB 4.15Å; Y34-E55 WeakPolarHBondContact OH-CB 3.34Å; Y34-E55 PolarHBondContact OH-OE2 2.82Å; E55-V69 WeakPolarHBondContact O-CA 3.3Å; E55-R70 HydrophobicContact CG-CG 3.54Å; E55-R70 PolarHBondContact N-O 3.27Å; E55-R70 PolarHBondContact O-N 2.85Å; E55-R70 VanDerWaalsContact O-N 3.11Å; E55-R70 IonicContact OE1-CZ 3.62Å; E55-R70 VanDerWaalsContact OE1-CZ 3.23Å; E55-R70 IonicContact OE1-NE 2.93Å; E55-R70 PolarHBondContact OE1-NE 3.05Å; E55-R70 IonicContact OE1-NH2 3.23Å; E55-R70 PolarHBondContact OE1-NH2 3.01Å; E55-R70 IonicContact OE2-CZ 3.86Å; E55-R70 IonicContact OE2-NE 2.82Å; E55-R70 PolarHBondContact OE2-NE 2.91Å; E55-R70 IonicContact OE2-NH2 3.52Å; E55-R70 PolarHBondContact OE2-NH2 3.49Å; E55-T72 HydrophobicContact CB-CG2 4.42Å; E55-T72 HydrophobicContact CG-CG2 4.09Å |
| 56 | L | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 131.4 | 175.3 | 176.8 | 155 | 0 | 0 | 0 | 109.7 | Y34 F35 V37 L58 P67 K68 V69 I101 L105 | Y34-L56 CarbonylContact C-O 3.54Å; Y34-L56 WeakPolarHBondContact CA-O 3.36Å; F35-L56 HydrophobicContact CB-CB 4.18Å; F35-L56 HydrophobicContact CB-CD2 4.2Å; F35-L56 HydrophobicContact CD2-CD2 3.62Å; F35-L56 HydrophobicContact CE2-CD2 4.35Å; F35-L56 HydrophobicContact CG-CD2 4.12Å; F35-L56 PolarHBondContact N-O 2.93Å; F35-L56 PolarHBondContact O-N 3.47Å; V37-L56 HydrophobicContact CG2-CB 4.09Å; L56-L58 HydrophobicContact CD2-CD2 3.77Å; L56-L58 HydrophobicContact CD2-CG 4.06Å; L56-P67 HydrophobicContact CD1-CB 4.19Å; L56-P67 HydrophobicContact CD2-CB 4.27Å; L56-P67 HydrophobicContact CG-CB 4.05Å; L56-K68 CarbonylContact C-O 3.54Å; L56-K68 WeakPolarHBondContact CA-O 3.18Å; L56-V69 HydrophobicContact CB-CG1 4.44Å; L56-V69 HydrophobicContact CB-CG2 4.27Å; L56-V69 HydrophobicContact CD1-CG2 3.76Å; L56-V69 HydrophobicContact CG-CG2 3.9Å; L56-I101 HydrophobicContact CD1-CG2 3.82Å; L56-I101 HydrophobicContact CD2-CG2 4.46Å; L56-L105 HydrophobicContact CD1-CD2 3.95Å; L56-L105 HydrophobicContact CD1-CG 4.5Å |
| 57 | F | 98.2 | Very high | 97.6 | Very high | 63 Ų | 63 | 41.6 Ų | 41.6 | 28% | 0.276 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 132 | 177.4 | 177.2 | -105.4 | 0 | 0 | 0 | 111.6 | R33 Y34 P59 P67 K68 | R33-F57 HydrophobicContact CB-CD2 4.24Å; R33-F57 HydrophobicContact CB-CE2 3.87Å; R33-F57 CarbonylContact O-C 3.56Å; R33-F57 WeakPolarHBondContact O-CA 3.49Å; Y34-F57 HydrophobicContact CD2-CB 4.22Å; Y34-F57 HydrophobicContact CD2-CD2 4.18Å; F57-P59 HydrophobicContact CE1-CB 4.34Å; F57-P59 WeakPolarHBondContact O-CD 3.43Å; F57-P67 CarbonylContact O-C 3.58Å; F57-P67 WeakPolarHBondContact O-CA 3.27Å; F57-K68 HydrophobicContact CB-CB 4.41Å; F57-K68 HydrophobicContact CD1-CD 4.38Å; F57-K68 PolarHBondContact N-O 3.01Å; F57-K68 PolarHBondContact O-N 3.11Å |
| 58 | L | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | trans | -94 | 104.7 | 175.7 | -58 | 179.6 | 0 | 0 | 0 | 110.1 | I8 R33 F35 L56 Y62 P67 I101 | I8-L58 HydrophobicContact CB-CD1 4.32Å; I8-L58 HydrophobicContact CD1-CB 4.28Å; I8-L58 HydrophobicContact CD1-CD1 3.82Å; I8-L58 HydrophobicContact CG1-CD1 3.88Å; I8-L58 HydrophobicContact CG2-CD1 3.62Å; R33-L58 HydrophobicContact CB-CB 4.16Å; R33-L58 WeakPolarHBondContact CD-O 3.26Å; R33-L58 HydrophobicContact CG-CB 4.44Å; R33-L58 PolarHBondContact NH1-O 3.41Å; R33-L58 VanDerWaalsContact NH1-O 3.09Å; R33-L58 PolarHBondContact O-N 2.9Å; F35-L58 HydrophobicContact CD2-CG 4.47Å; F35-L58 HydrophobicContact CE2-CD1 3.59Å; F35-L58 HydrophobicContact CE2-CG 3.98Å; F35-L58 HydrophobicContact CZ-CD1 4.2Å; L56-L58 HydrophobicContact CD2-CD2 3.77Å; L56-L58 HydrophobicContact CD2-CG 4.06Å; L58-Y62 HydrophobicContact CB-CD1 4.47Å; L58-Y62 HydrophobicContact CB-CG 4.2Å; L58-Y62 HydrophobicContact CD1-CD1 4.32Å; L58-Y62 HydrophobicContact CD1-CE1 4.42Å; L58-Y62 HydrophobicContact CD2-CD1 4.2Å; L58-Y62 HydrophobicContact CD2-CD2 3.8Å; L58-Y62 HydrophobicContact CD2-CE1 4.23Å; L58-Y62 HydrophobicContact CD2-CE2 3.85Å; L58-Y62 HydrophobicContact CD2-CG 4Å; L58-P67 HydrophobicContact CD2-CB 4Å; L58-P67 HydrophobicContact CD2-CG 3.89Å; L58-I101 HydrophobicContact CD1-CD1 3.87Å; L58-I101 HydrophobicContact CD2-CD1 4.14Å; L58-I101 HydrophobicContact CD2-CG1 4.03Å; L58-I101 HydrophobicContact CG-CD1 4.48Å | ||
| 59 | P | 97.1 | Very high | 97.7 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | -61.4 | 165.7 | 179.2 | 28.3 | -35.6 | 0 | 0 | 0 | 112 | R33 F57 E61 Y62 T65 A66 | R33-P59 PolarHBondContact NH1-O 3.25Å; F57-P59 HydrophobicContact CE1-CB 4.34Å; F57-P59 WeakPolarHBondContact O-CD 3.43Å; P59-E61 PolarHBondContact O-N 2.93Å; P59-Y62 WeakPolarHBondContact O-CB 3.38Å; P59-Y62 PolarHBondContact O-N 2.7Å; P59-T65 HydrophobicContact CG-CG2 4.01Å; P59-A66 WeakPolarHBondContact CG-O 3.33Å | ||
| 60 | E | 95.8 | Very high | 97.8 | Very high | 153 Ų | 153 | 47.4 Ų | 47.4 | 72% | 0.715 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -38.4 | -176.2 | -172.5 | 165.3 | -173.1 | 0 | 0 | 111.7 | Y62 | E60-Y62 VanDerWaalsContact C-N 3.26Å; E60-Y62 PolarHBondContact O-N 2.95Å |
| 61 | E | 96.3 | Very high | 97.8 | Very high | 109 Ų | 109 | 47.6 Ų | 47.6 | 51% | 0.509 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -4.4 | -180 | -55 | 78.6 | -172 | 0 | 0 | 113.7 | P59 M64 T65 | P59-E61 PolarHBondContact O-N 2.93Å; E61-M64 WeakPolarHBondContact O-CA 3.49Å; E61-M64 VanDerWaalsContact O-CB 3.3Å; E61-M64 WeakPolarHBondContact O-CB 3.23Å; E61-M64 PolarHBondContact O-N 3.35Å; E61-T65 WeakPolarHBondContact CB-OG1 3.42Å; E61-T65 PolarHBondContact O-N 3.22Å |
| 62 | Y | 97 | Very high | 97.8 | Very high | 8 Ų | 8 | 48.3 Ų | 48.3 | 3% | 0.031 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | 128 | 177.2 | -177.5 | -93.2 | 0 | 0 | 0 | 110.7 | R7 I8 E11 L58 P59 E60 T65 P67 W95 | R7-Y62 HydrophobicContact CG-CE1 4.44Å; I8-Y62 HydrophobicContact CD1-CD1 4.3Å; I8-Y62 HydrophobicContact CG1-CD1 4.02Å; I8-Y62 HydrophobicContact CG1-CE1 4.35Å; E11-Y62 PolarHBondContact OE1-OH 3.29Å; E11-Y62 PolarHBondContact OE2-OH 3.18Å; E11-Y62 VanDerWaalsContact OE2-OH 3.11Å; L58-Y62 HydrophobicContact CB-CD1 4.47Å; L58-Y62 HydrophobicContact CB-CG 4.2Å; L58-Y62 HydrophobicContact CD1-CD1 4.32Å; L58-Y62 HydrophobicContact CD1-CE1 4.42Å; L58-Y62 HydrophobicContact CD2-CD1 4.2Å; L58-Y62 HydrophobicContact CD2-CD2 3.8Å; L58-Y62 HydrophobicContact CD2-CE1 4.23Å; L58-Y62 HydrophobicContact CD2-CE2 3.85Å; L58-Y62 HydrophobicContact CD2-CG 4Å; P59-Y62 WeakPolarHBondContact O-CB 3.38Å; P59-Y62 PolarHBondContact O-N 2.7Å; E60-Y62 VanDerWaalsContact C-N 3.26Å; E60-Y62 PolarHBondContact O-N 2.95Å; Y62-T65 WeakPolarHBondContact CD2-O 3.48Å; Y62-P67 HydrophobicContact CD2-CG 4.15Å; Y62-P67 HydrophobicContact CE2-CG 3.75Å; Y62-W95 HydrophobicContact CD2-CZ2 4.26Å; Y62-W95 AromaticContact CE2-CH2 3.74Å; Y62-W95 HydrophobicContact CE2-CH2 3.74Å; Y62-W95 AromaticContact CE2-CZ2 3.78Å; Y62-W95 HydrophobicContact CE2-CZ2 3.78Å |
| 63 | P | 96.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 49 Ų | 49 | 16% | 0.156 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -100 | 11.4 | 16.8 | 40.1 | -38.2 | 0 | 0 | 0 | 115.6 | R7 T65 W95 P97 | R7-P63 VanDerWaalsContact CZ-CB 3.42Å; P63-T65 VanDerWaalsContact C-N 3.27Å; P63-W95 HydrophobicContact CB-CZ2 4.38Å; P63-W95 WeakPolarHBondContact O-CZ2 3.29Å; P63-W95 PolarHBondContact O-NE1 3.17Å; P63-P97 HydrophobicContact CB-CB 4.34Å; P63-P97 HydrophobicContact CG-CB 4.35Å; P63-P97 WeakPolarHBondContact O-CA 3.34Å; P63-P97 WeakPolarHBondContact O-CB 3.49Å |
| 64 | M | 97.1 | Very high | 97.7 | Very high | 127 Ų | 127 | 52.6 Ų | 52.6 | 63% | 0.626 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -30 | 176.1 | -59.7 | -61 | 104.2 | 0 | 0 | 111.6 | E61 W95 P97 | E61-M64 WeakPolarHBondContact O-CA 3.49Å; E61-M64 VanDerWaalsContact O-CB 3.3Å; E61-M64 WeakPolarHBondContact O-CB 3.23Å; E61-M64 PolarHBondContact O-N 3.35Å; M64-W95 PolarHBondContact O-NE1 3.02Å; M64-P97 HydrophobicContact CE-CB 3.53Å; M64-P97 HydrophobicContact CE-CG 3.56Å; M64-P97 HydrophobicContact SD-CG 4.06Å |
| 65 | T | 97.3 | Very high | 97.7 | Very high | 66 Ų | 66 | 53 Ų | 53 | 41% | 0.405 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -109.6 | 143.6 | 171.4 | -56.3 | 0 | 0 | 0 | 0 | 110.6 | P59 E61 Y62 P63 | P59-T65 HydrophobicContact CG-CG2 4.01Å; E61-T65 WeakPolarHBondContact CB-OG1 3.42Å; E61-T65 PolarHBondContact O-N 3.22Å; Y62-T65 WeakPolarHBondContact CD2-O 3.48Å; P63-T65 VanDerWaalsContact C-N 3.27Å |
| 66 | A | 98.1 | Very high | 97.6 | Very high | 11 Ų | 11 | 52.4 Ų | 52.4 | 9% | 0.091 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 151.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P59 W95 | P59-A66 WeakPolarHBondContact CG-O 3.33Å; A66-W95 VanDerWaalsContact CA-CD2 3.48Å; A66-W95 HydrophobicContact CB-CB 3.99Å; A66-W95 HydrophobicContact CB-CD2 3.57Å; A66-W95 HydrophobicContact CB-CE3 3.8Å; A66-W95 HydrophobicContact CB-CG 3.63Å |
| 67 | P | 98.3 | Very high | 97.6 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -56.8 | 144.3 | 164.6 | -21.1 | 33.1 | 0 | 0 | 0 | 110.9 | L56 F57 L58 Y62 V69 W95 V104 | L56-P67 HydrophobicContact CD1-CB 4.19Å; L56-P67 HydrophobicContact CD2-CB 4.27Å; L56-P67 HydrophobicContact CG-CB 4.05Å; F57-P67 CarbonylContact O-C 3.58Å; F57-P67 WeakPolarHBondContact O-CA 3.27Å; L58-P67 HydrophobicContact CD2-CB 4Å; L58-P67 HydrophobicContact CD2-CG 3.89Å; Y62-P67 HydrophobicContact CD2-CG 4.15Å; Y62-P67 HydrophobicContact CE2-CG 3.75Å; P67-V69 HydrophobicContact CB-CG2 4.12Å; P67-W95 HydrophobicContact CG-CH2 4.35Å; P67-W95 HydrophobicContact CG-CZ3 4.47Å; P67-V104 HydrophobicContact CG-CG2 4.44Å |
| 68 | K | 98.3 | Very high | 97.6 | Very high | 142 Ų | 142 | 49.4 Ų | 49.4 | 62% | 0.617 | 24% | 0.24 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.1 | 166.2 | -61.7 | -175.6 | -179.2 | 178.8 | 0 | 107.6 | L56 F57 | L56-K68 CarbonylContact C-O 3.54Å; L56-K68 WeakPolarHBondContact CA-O 3.18Å; F57-K68 HydrophobicContact CB-CB 4.41Å; F57-K68 HydrophobicContact CD1-CD 4.38Å; F57-K68 PolarHBondContact N-O 3.01Å; F57-K68 PolarHBondContact O-N 3.11Å |
| 69 | V | 98.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 49.6 Ų | 49.6 | 10% | 0.103 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 137.9 | -179.5 | -165.1 | 0 | 0 | 0 | 0 | 109.3 | L54 E55 L56 P67 I86 L91 V104 I108 | L54-V69 HydrophobicContact CB-CG1 4.43Å; L54-V69 HydrophobicContact CD2-CG1 3.88Å; E55-V69 WeakPolarHBondContact O-CA 3.3Å; L56-V69 HydrophobicContact CB-CG1 4.44Å; L56-V69 HydrophobicContact CB-CG2 4.27Å; L56-V69 HydrophobicContact CD1-CG2 3.76Å; L56-V69 HydrophobicContact CG-CG2 3.9Å; P67-V69 HydrophobicContact CB-CG2 4.12Å; V69-I86 HydrophobicContact CB-CD1 4.34Å; V69-I86 HydrophobicContact CG1-CD1 4.12Å; V69-L91 HydrophobicContact CG2-CD2 4.19Å; V69-V104 HydrophobicContact CG2-CG1 4.14Å; V69-I108 HydrophobicContact CB-CD1 4.12Å; V69-I108 HydrophobicContact CG1-CD1 3.67Å; V69-I108 HydrophobicContact CG2-CD1 4.33Å |
| 70 | R | 98.2 | Very high | 97.6 | Very high | 105 Ų | 105 | 49.4 Ų | 49.4 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 151.7 | 168.6 | 64.5 | 171 | 175 | 147.5 | 11.6 | 111.4 | L54 E55 G84 | L54-R70 VanDerWaalsContact CA-O 3.22Å; L54-R70 WeakPolarHBondContact CA-O 3.2Å; L54-R70 VanDerWaalsContact CB-O 3.29Å; L54-R70 WeakPolarHBondContact CB-O 3.25Å; E55-R70 HydrophobicContact CG-CG 3.54Å; E55-R70 PolarHBondContact N-O 3.27Å; E55-R70 PolarHBondContact O-N 2.85Å; E55-R70 VanDerWaalsContact O-N 3.11Å; E55-R70 IonicContact OE1-CZ 3.62Å; E55-R70 VanDerWaalsContact OE1-CZ 3.23Å; E55-R70 IonicContact OE1-NE 2.93Å; E55-R70 PolarHBondContact OE1-NE 3.05Å; E55-R70 IonicContact OE1-NH2 3.23Å; E55-R70 PolarHBondContact OE1-NH2 3.01Å; E55-R70 IonicContact OE2-CZ 3.86Å; E55-R70 IonicContact OE2-NE 2.82Å; E55-R70 PolarHBondContact OE2-NE 2.91Å; E55-R70 IonicContact OE2-NH2 3.52Å; E55-R70 PolarHBondContact OE2-NH2 3.49Å; R70-G84 CarbonylContact C-O 3.53Å; R70-G84 WeakPolarHBondContact CA-O 3.5Å; R70-G84 VanDerWaalsContact CB-O 3.23Å; R70-G84 WeakPolarHBondContact CB-O 3.46Å |
| 71 | F | 98.5 | Very high | 97.6 | Very high | 5 Ų | 5 | 43 Ų | 43 | 2% | 0.022 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.4 | 168.4 | -74.4 | -92.6 | 0 | 0 | 0 | 110.7 | F52 L54 L75 I80 G84 I86 I108 L112 | F52-F71 HydrophobicContact CB-CD1 3.96Å; F52-F71 HydrophobicContact CB-CE1 3.7Å; F52-F71 HydrophobicContact CG-CE1 4.31Å; L54-F71 HydrophobicContact CD1-CD1 4.17Å; L54-F71 HydrophobicContact CD1-CE1 3.96Å; L54-F71 HydrophobicContact CD2-CD1 3.93Å; L54-F71 HydrophobicContact CD2-CD2 3.91Å; L54-F71 HydrophobicContact CD2-CE1 3.8Å; L54-F71 HydrophobicContact CD2-CE2 3.76Å; L54-F71 HydrophobicContact CD2-CG 4Å; L54-F71 HydrophobicContact CD2-CZ 3.72Å; L54-F71 HydrophobicContact CG-CD1 3.7Å; L54-F71 HydrophobicContact CG-CD2 4.47Å; L54-F71 HydrophobicContact CG-CE1 3.86Å; L54-F71 HydrophobicContact CG-CG 4.04Å; L54-F71 HydrophobicContact CG-CZ 4.31Å; F71-L75 HydrophobicContact CB-CD2 4Å; F71-L75 HydrophobicContact CD1-CD1 4.21Å; F71-L75 HydrophobicContact CD1-CD2 4.05Å; F71-L75 HydrophobicContact CD2-CD2 4.32Å; F71-L75 HydrophobicContact CE1-CD1 4.02Å; F71-L75 HydrophobicContact CG-CD2 3.86Å; F71-L75 HydrophobicContact CZ-CD1 4.26Å; F71-I80 HydrophobicContact CD2-CD1 3.75Å; F71-I80 HydrophobicContact CD2-CG1 4.24Å; F71-I80 HydrophobicContact CD2-CG2 3.86Å; F71-I80 HydrophobicContact CE2-CD1 3.32Å; F71-I80 HydrophobicContact CE2-CG1 4.08Å; F71-I80 HydrophobicContact CG-CG2 4.47Å; F71-I80 HydrophobicContact CZ-CD1 3.89Å; F71-G84 PolarHBondContact N-O 3.27Å; F71-G84 WeakPolarHBondContact O-CA 3.42Å; F71-I86 HydrophobicContact CD2-CD1 3.73Å; F71-I86 HydrophobicContact CD2-CG1 3.76Å; F71-I86 HydrophobicContact CE2-CD1 3.56Å; F71-I86 HydrophobicContact CE2-CG1 3.84Å; F71-I108 HydrophobicContact CE2-CG2 3.9Å; F71-I108 HydrophobicContact CZ-CG2 3.7Å; F71-L112 HydrophobicContact CZ-CD1 4.36Å; F71-L112 HydrophobicContact CZ-CD2 4.09Å; F71-L112 HydrophobicContact CZ-CG 4.49Å |
| 72 | T | 98 | Very high | 97.5 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 47% | 0.466 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -103.8 | -27.9 | 167.7 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | D53 E55 | D53-T72 WeakPolarHBondContact CB-OG1 3.38Å; D53-T72 PolarHBondContact O-N 3.19Å; D53-T72 PolarHBondContact O-OG1 3.22Å; D53-T72 VanDerWaalsContact O-OG1 3.08Å; E55-T72 HydrophobicContact CB-CG2 4.42Å; E55-T72 HydrophobicContact CG-CG2 4.09Å |
| 73 | T | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 51.5 Ų | 51.5 | 9% | 0.086 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -74.1 | 133.7 | 166.7 | -60.3 | 0 | 0 | 0 | 0 | 110.9 | F52 D53 Y147 A148 | F52-T73 HydrophobicContact CD1-CG2 3.99Å; D53-T73 WeakPolarHBondContact CB-OG1 3.44Å; D53-T73 PolarHBondContact N-OG1 2.89Å; D53-T73 PolarHBondContact O-N 2.88Å; T73-Y147 WeakPolarHBondContact CG2-O 3.36Å; T73-A148 HydrophobicContact CG2-CB 3.98Å |
| 74 | K | 97.3 | Very high | 97.5 | Very high | 131 Ų | 131 | 50.6 Ų | 50.6 | 57% | 0.57 | 24% | 0.24 | S | C | * | . | trans | -69.6 | 136.8 | 173.8 | -67.3 | -179.7 | -178.2 | 175.7 | 0 | 110.4 | W143 Y147 | K74-W143 HydrophobicContact CB-CZ3 4.46Å; K74-Y147 HydrophobicContact CB-CD1 4.45Å; K74-Y147 HydrophobicContact CB-CD2 3.96Å; K74-Y147 HydrophobicContact CB-CE2 4.47Å; K74-Y147 HydrophobicContact CB-CG 3.95Å; K74-Y147 HydrophobicContact CD-CD1 4.45Å; K74-Y147 HydrophobicContact CD-CE1 4.32Å; K74-Y147 WeakPolarHBondContact O-CB 3.19Å | ||
| 75 | L | 97.7 | Very high | 97.5 | Very high | 12 Ų | 12 | 51.5 Ų | 51.5 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | trans | -148.7 | 159.4 | 173.5 | 73.3 | 176.2 | 0 | 0 | 0 | 111.5 | Y47 F52 F71 H77 I80 L112 W143 | Y47-L75 HydrophobicContact CE1-CD1 4.32Å; F52-L75 HydrophobicContact CD1-CB 4.12Å; F52-L75 HydrophobicContact CD1-CD1 3.95Å; F52-L75 HydrophobicContact CE1-CB 3.78Å; F52-L75 HydrophobicContact CE1-CD1 4.03Å; F71-L75 HydrophobicContact CB-CD2 4Å; F71-L75 HydrophobicContact CD1-CD1 4.21Å; F71-L75 HydrophobicContact CD1-CD2 4.05Å; F71-L75 HydrophobicContact CD2-CD2 4.32Å; F71-L75 HydrophobicContact CE1-CD1 4.02Å; F71-L75 HydrophobicContact CG-CD2 3.86Å; F71-L75 HydrophobicContact CZ-CD1 4.26Å; L75-H77 HydrophobicContact CD1-CB 4.45Å; L75-H77 HydrophobicContact CG-CB 4.28Å; L75-I80 HydrophobicContact CD1-CD1 3.67Å; L75-I80 HydrophobicContact CD2-CB 4.37Å; L75-I80 HydrophobicContact CD2-CD1 4.16Å; L75-I80 HydrophobicContact CD2-CG2 3.8Å; L75-I80 HydrophobicContact CG-CD1 4.12Å; L75-L112 HydrophobicContact CD1-CD2 3.68Å; L75-W143 VanDerWaalsContact C-CE3 3.43Å | ||
| 76 | Y | 97.8 | Very high | 97.5 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 10% | 0.098 | 22% | 0.222 | C | C | . | . | trans | -103.3 | 99.2 | -179.4 | -169.6 | -94.2 | 0 | 0 | 0 | 109 | Y47 V125 H128 W129 A136 K139 A140 W143 | Y47-Y76 PolarHBondContact OH-O 3.31Å; Y76-V125 HydrophobicContact CD1-CG1 4.14Å; Y76-V125 HydrophobicContact CD2-CG2 4.17Å; Y76-V125 HydrophobicContact CE1-CG1 3.74Å; Y76-V125 HydrophobicContact CE2-CB 4.43Å; Y76-V125 HydrophobicContact CE2-CG1 4.21Å; Y76-V125 HydrophobicContact CE2-CG2 3.7Å; Y76-H128 AromaticContact CZ-ND1 3.62Å; Y76-H128 WeakPolarHBondContact OH-CB 3.42Å; Y76-H128 PolarHBondContact OH-ND1 3.41Å; Y76-W129 HydrophobicContact CD1-CE3 4.37Å; Y76-W129 AromaticContact CD1-CZ3 3.8Å; Y76-W129 HydrophobicContact CD1-CZ3 3.8Å; Y76-W129 HydrophobicContact CE1-CE3 4.12Å; Y76-W129 HydrophobicContact CE1-CZ3 4.01Å; Y76-W129 WeakPolarHBondContact O-CZ3 3.41Å; Y76-A136 HydrophobicContact CE1-CB 4.26Å; Y76-K139 HydrophobicContact CD1-CB 4.11Å; Y76-K139 HydrophobicContact CD1-CG 4.23Å; Y76-K139 HydrophobicContact CD2-CG 4.13Å; Y76-K139 HydrophobicContact CE1-CB 4.16Å; Y76-K139 HydrophobicContact CE1-CG 4.29Å; Y76-K139 HydrophobicContact CE2-CG 4.17Å; Y76-K139 HydrophobicContact CG-CG 4.17Å; Y76-A140 HydrophobicContact CD1-CB 4.27Å; Y76-W143 HydrophobicContact CD2-CD2 4.37Å; Y76-W143 HydrophobicContact CD2-CH2 4.43Å; Y76-W143 HydrophobicContact CD2-CZ2 4.18Å | ||
| 77 | H | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | B | Isolated β-bridge | trans | -150.2 | 136.4 | -172.6 | -171.3 | -70.1 | 0 | 0 | 0 | 110.8 | Y47 L75 N79 I80 L111 | Y47-H77 AromaticContact CE2-CD2 3.91Å; Y47-H77 AromaticContact CZ-CD2 3.56Å; Y47-H77 WeakPolarHBondContact OH-CB 3.3Å; Y47-H77 PolarHBondContact OH-CD2 2.75Å; L75-H77 HydrophobicContact CD1-CB 4.45Å; L75-H77 HydrophobicContact CG-CB 4.28Å; H77-N79 PolarHBondContact CE1-OD1 2.83Å; H77-N79 PolarHBondContact ND1-N 3.04Å; H77-N79 PolarHBondContact O-N 2.85Å; H77-I80 HydrophobicContact CB-CB 4.1Å; H77-I80 HydrophobicContact CB-CD1 3.83Å; H77-I80 HydrophobicContact CB-CG1 4.16Å; H77-I80 PolarHBondContact O-N 3.41Å; H77-L111 PolarHBondContact NE2-O 2.88Å; H77-L111 VanDerWaalsContact NE2-O 3.15Å |
| 78 | P | 97.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33.7 | -173.3 | 25.9 | -34.4 | 0 | 0 | 0 | 113.3 | I80 P115 P117 P120 L121 D122 V125 A126 W129 | P78-I80 VanDerWaalsContact C-N 3.34Å; P78-P115 HydrophobicContact CG-CB 3.61Å; P78-P117 HydrophobicContact CB-CB 4.38Å; P78-P120 WeakPolarHBondContact O-CA 3.43Å; P78-L121 PolarHBondContact O-N 2.75Å; P78-D122 PolarHBondContact O-N 3.09Å; P78-V125 HydrophobicContact CB-CG1 4.38Å; P78-A126 HydrophobicContact CB-CB 4.01Å; P78-W129 VanDerWaalsContact CD-CE3 3.5Å; P78-W129 VanDerWaalsContact CD-CZ3 3.5Å; P78-W129 HydrophobicContact CG-CD2 4.22Å; P78-W129 HydrophobicContact CG-CE3 4.14Å |
| 79 | N | 97.7 | Very high | 96.9 | Very high | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.4 | 6.3 | 177.9 | -46.5 | 97.8 | 0 | 0 | 0 | 114.1 | H77 C87 L111 N116 D119 | H77-N79 PolarHBondContact CE1-OD1 2.83Å; H77-N79 PolarHBondContact ND1-N 3.04Å; H77-N79 PolarHBondContact O-N 2.85Å; N79-C87 PolarHBondContact O-N 2.9Å; N79-L111 HydrophobicContact CB-CD1 4.26Å; N79-L111 HydrophobicContact CB-CD2 4.05Å; N79-L111 HydrophobicContact CB-CG 4.48Å; N79-N116 PolarHBondContact ND2-O 3.21Å; N79-N116 PolarHBondContact OD1-N 3.35Å; N79-N116 PolarHBondContact OD1-O 2.95Å; N79-D119 PolarHBondContact ND2-O 3.45Å |
| 80 | I | 97.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | B | Isolated β-bridge | trans | -131.1 | 126.4 | -179.7 | -52.6 | 162.4 | 0 | 0 | 0 | 109.1 | F71 L75 H77 P78 R85 I86 L112 | F71-I80 HydrophobicContact CD2-CD1 3.75Å; F71-I80 HydrophobicContact CD2-CG1 4.24Å; F71-I80 HydrophobicContact CD2-CG2 3.86Å; F71-I80 HydrophobicContact CE2-CD1 3.32Å; F71-I80 HydrophobicContact CE2-CG1 4.08Å; F71-I80 HydrophobicContact CG-CG2 4.47Å; F71-I80 HydrophobicContact CZ-CD1 3.89Å; L75-I80 HydrophobicContact CD1-CD1 3.67Å; L75-I80 HydrophobicContact CD2-CB 4.37Å; L75-I80 HydrophobicContact CD2-CD1 4.16Å; L75-I80 HydrophobicContact CD2-CG2 3.8Å; L75-I80 HydrophobicContact CG-CD1 4.12Å; H77-I80 HydrophobicContact CB-CB 4.1Å; H77-I80 HydrophobicContact CB-CD1 3.83Å; H77-I80 HydrophobicContact CB-CG1 4.16Å; H77-I80 PolarHBondContact O-N 3.41Å; P78-I80 VanDerWaalsContact C-N 3.34Å; I80-R85 VanDerWaalsContact CA-O 3.29Å; I80-R85 WeakPolarHBondContact CA-O 3.47Å; I80-I86 HydrophobicContact CG1-CG1 4.46Å; I80-L112 HydrophobicContact CD1-CD2 3.94Å |
| 81 | D | 95.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 45 Ų | 45 | 10% | 0.096 | 21% | 0.213 | C | C | . | . | trans | -90.7 | 179.4 | -177.5 | 77.5 | 5.9 | 0 | 0 | 0 | 114.1 | L83 G84 R85 L121 | D81-L83 PolarHBondContact O-N 3.12Å; D81-L83 VanDerWaalsContact O-N 3.1Å; D81-L83 WeakPolarHBondContact OD1-CA 3.38Å; D81-L83 PolarHBondContact OD1-N 3.5Å; D81-G84 WeakPolarHBondContact O-CA 3.44Å; D81-G84 PolarHBondContact O-N 3.42Å; D81-G84 PolarHBondContact OD1-N 2.99Å; D81-R85 PolarHBondContact N-O 3.35Å; D81-R85 VanDerWaalsContact N-O 3.1Å; D81-R85 WeakPolarHBondContact OD1-CB 3.34Å; D81-R85 PolarHBondContact OD1-N 2.92Å; D81-R85 IonicContact OD1-NE 3.35Å; D81-R85 IonicContact OD2-CZ 4Å; D81-R85 IonicContact OD2-NE 3.78Å; D81-R85 PolarHBondContact OD2-NE 3.02Å; D81-R85 IonicContact OD2-NH2 2.73Å; D81-R85 PolarHBondContact OD2-NH2 3.37Å; D81-L121 HydrophobicContact CB-CB 4.13Å | ||
| 82 | R | 94.5 | Very high | 96.4 | Very high | 187 Ų | 187 | 53 Ų | 53 | 71% | 0.706 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17.3 | -179.5 | -58.3 | -178.3 | -175.2 | 179 | -0.2 | 114.8 | D122 E124 | R82-D122 IonicContact NE-OD2 2.7Å; R82-E124 IonicContact CZ-OE2 3.84Å; R82-E124 IonicContact NH2-OE2 2.83Å; R82-E124 PolarHBondContact NH2-OE2 3.35Å |
| 83 | L | 95.5 | Very high | 96.2 | Very high | 109 Ų | 109 | 54.7 Ų | 54.7 | 57% | 0.571 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | 3.6 | 176 | -60.6 | 179.5 | 0 | 0 | 0 | 112.2 | D81 R85 | D81-L83 PolarHBondContact O-N 3.12Å; D81-L83 VanDerWaalsContact O-N 3.1Å; D81-L83 WeakPolarHBondContact OD1-CA 3.38Å; D81-L83 PolarHBondContact OD1-N 3.5Å; L83-R85 VanDerWaalsContact C-N 3.33Å; L83-R85 HydrophobicContact CB-CG 4.44Å |
| 84 | G | 97.4 | Very high | 96.2 | Very high | 6 Ų | 6 | 59.9 Ų | 59.9 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | trans | 79.4 | 8.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | R70 F71 D81 | R70-G84 CarbonylContact C-O 3.53Å; R70-G84 WeakPolarHBondContact CA-O 3.5Å; R70-G84 VanDerWaalsContact CB-O 3.23Å; R70-G84 WeakPolarHBondContact CB-O 3.46Å; F71-G84 PolarHBondContact N-O 3.27Å; F71-G84 WeakPolarHBondContact O-CA 3.42Å; D81-G84 WeakPolarHBondContact O-CA 3.44Å; D81-G84 PolarHBondContact O-N 3.42Å; D81-G84 PolarHBondContact OD1-N 2.99Å | ||
| 85 | R | 97 | Very high | 96.2 | Very high | 145 Ų | 145 | 55.3 Ų | 55.3 | 55% | 0.547 | 25% | 0.254 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 141.7 | 177.4 | -60.9 | 179.2 | -67.9 | -176.9 | 2.9 | 109.1 | I80 D81 L83 L121 | I80-R85 VanDerWaalsContact CA-O 3.29Å; I80-R85 WeakPolarHBondContact CA-O 3.47Å; D81-R85 PolarHBondContact N-O 3.35Å; D81-R85 VanDerWaalsContact N-O 3.1Å; D81-R85 WeakPolarHBondContact OD1-CB 3.34Å; D81-R85 PolarHBondContact OD1-N 2.92Å; D81-R85 IonicContact OD1-NE 3.35Å; D81-R85 IonicContact OD2-CZ 4Å; D81-R85 IonicContact OD2-NE 3.78Å; D81-R85 PolarHBondContact OD2-NE 3.02Å; D81-R85 IonicContact OD2-NH2 2.73Å; D81-R85 PolarHBondContact OD2-NH2 3.37Å; L83-R85 VanDerWaalsContact C-N 3.33Å; L83-R85 HydrophobicContact CB-CG 4.44Å; R85-L121 HydrophobicContact CB-CD1 4.25Å; R85-L121 WeakPolarHBondContact O-CD1 3.35Å |
| 86 | I | 97.2 | Very high | 96.2 | Very high | 21 Ų | 21 | 57.1 Ų | 57.1 | 11% | 0.108 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -112 | 130.1 | -172.8 | -51.2 | 171.3 | 0 | 0 | 0 | 109.3 | L54 V69 F71 I80 L88 L91 I108 L111 L121 | L54-I86 HydrophobicContact CD2-CD1 4.17Å; V69-I86 HydrophobicContact CB-CD1 4.34Å; V69-I86 HydrophobicContact CG1-CD1 4.12Å; F71-I86 HydrophobicContact CD2-CD1 3.73Å; F71-I86 HydrophobicContact CD2-CG1 3.76Å; F71-I86 HydrophobicContact CE2-CD1 3.56Å; F71-I86 HydrophobicContact CE2-CG1 3.84Å; I80-I86 HydrophobicContact CG1-CG1 4.46Å; I86-L88 HydrophobicContact CG2-CB 3.96Å; I86-L91 HydrophobicContact CB-CD1 4.22Å; I86-L91 HydrophobicContact CG2-CD1 4.39Å; I86-I108 HydrophobicContact CD1-CD1 3.86Å; I86-I108 HydrophobicContact CD1-CG1 4.17Å; I86-I108 HydrophobicContact CD1-CG2 4.2Å; I86-L111 HydrophobicContact CG2-CD2 3.75Å; I86-L121 VanDerWaalsContact C-CD1 3.42Å |
| 87 | C | 94.2 | Very high | 96.2 | Very high | 30 Ų | 30 | 58.1 Ų | 58.1 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | trans | -92.9 | 103.9 | 163.5 | -174.8 | 0 | 0 | 0 | 0 | 108.2 | N79 D119 L121 | N79-C87 PolarHBondContact O-N 2.9Å; C87-D119 PolarHBondContact SG-OD2 2.94Å; C87-D119 VanDerWaalsContact SG-OD2 3.42Å; C87-L121 HydrophobicContact CB-CD1 3.8Å; C87-L121 HydrophobicContact CB-CD2 3.84Å; C87-L121 HydrophobicContact CB-CG 3.46Å; C87-L121 VanDerWaalsContact CB-CG 3.46Å | ||
| 88 | L | 94.9 | Very high | 96.2 | Very high | 25 Ų | 25 | 61.9 Ų | 61.9 | 13% | 0.131 | 31% | 0.309 | C | S | . | . | trans | -142 | 122.5 | 173.8 | -177.5 | 65.4 | 0 | 0 | 0 | 106.4 | I86 I90 L91 I108 L111 | I86-L88 HydrophobicContact CG2-CB 3.96Å; L88-I90 VanDerWaalsContact C-N 3.26Å; L88-I90 HydrophobicContact CD2-CD1 3.96Å; L88-I90 HydrophobicContact CD2-CG1 3.62Å; L88-I90 HydrophobicContact CG-CG1 3.67Å; L88-I90 PolarHBondContact O-N 2.97Å; L88-L91 HydrophobicContact CB-CD1 4.08Å; L88-L91 HydrophobicContact CB-CG 4.21Å; L88-L91 HydrophobicContact CD2-CD1 4.47Å; L88-L91 HydrophobicContact CD2-CG 4.37Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 3.25Å; L88-I108 HydrophobicContact CD2-CG1 3.88Å; L88-L111 HydrophobicContact CB-CD2 4.45Å; L88-L111 HydrophobicContact CD1-CD2 4.4Å | ||
| 89 | D | 94.1 | Very high | 96.2 | Very high | 77 Ų | 77 | 63.7 Ų | 63.7 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -56.3 | -36.6 | -172.3 | 63.9 | -15.6 | 0 | 0 | 0 | 113.4 | L91 K92 D93 K94 | D89-L91 PolarHBondContact O-N 3.5Å; D89-K92 CarbonylContact O-C 3.17Å; D89-K92 WeakPolarHBondContact O-CA 3.4Å; D89-K92 PolarHBondContact O-N 3.16Å; D89-D93 PolarHBondContact O-N 3.01Å; D89-K94 HydrophobicContact CB-CB 4.14Å; D89-K94 HydrophobicContact CB-CG 3.72Å; D89-K94 PolarHBondContact O-N 3.32Å; D89-K94 WeakPolarHBondContact OD2-CG 3.41Å |
| 90 | I | 96.4 | Very high | 96.1 | Very high | 22 Ų | 22 | 66.7 Ų | 66.7 | 11% | 0.113 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -66.9 | -15.8 | 176.3 | 64.5 | 154.4 | 0 | 0 | 0 | 113.4 | L88 K92 K94 W95 L99 V104 | L88-I90 VanDerWaalsContact C-N 3.26Å; L88-I90 HydrophobicContact CD2-CD1 3.96Å; L88-I90 HydrophobicContact CD2-CG1 3.62Å; L88-I90 HydrophobicContact CG-CG1 3.67Å; L88-I90 PolarHBondContact O-N 2.97Å; I90-K92 VanDerWaalsContact C-N 3.28Å; I90-K94 HydrophobicContact CG2-CB 4.23Å; I90-W95 VanDerWaalsContact O-CA 3.29Å; I90-W95 WeakPolarHBondContact O-CA 3.34Å; I90-W95 WeakPolarHBondContact O-CB 3.36Å; I90-L99 HydrophobicContact CB-CD1 3.92Å; I90-L99 HydrophobicContact CD1-CD1 4.42Å; I90-L99 HydrophobicContact CG2-CD1 4.1Å; I90-V104 HydrophobicContact CD1-CG2 4.22Å |
| 91 | L | 96.1 | Very high | 96.1 | Very high | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.173 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -86.3 | -1.9 | 171.2 | -61.5 | 178.2 | 0 | 0 | 0 | 112.3 | V69 I86 L88 D89 V104 | V69-L91 HydrophobicContact CG2-CD2 4.19Å; I86-L91 HydrophobicContact CB-CD1 4.22Å; I86-L91 HydrophobicContact CG2-CD1 4.39Å; L88-L91 HydrophobicContact CB-CD1 4.08Å; L88-L91 HydrophobicContact CB-CG 4.21Å; L88-L91 HydrophobicContact CD2-CD1 4.47Å; L88-L91 HydrophobicContact CD2-CG 4.37Å; L88-L91 WeakPolarHBondContact O-CB 3.46Å; L88-L91 PolarHBondContact O-N 3.25Å; D89-L91 PolarHBondContact O-N 3.5Å; L91-V104 HydrophobicContact CD2-CG1 3.65Å |
| 92 | K | 93 | Very high | 96.1 | Very high | 174 Ų | 174 | 68.6 Ų | 68.6 | 76% | 0.757 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -135.5 | -103.8 | -174.4 | -161.1 | -174.8 | -174.7 | -174.9 | 0 | 111.7 | D89 I90 | D89-K92 CarbonylContact O-C 3.17Å; D89-K92 WeakPolarHBondContact O-CA 3.4Å; D89-K92 PolarHBondContact O-N 3.16Å; I90-K92 VanDerWaalsContact C-N 3.28Å |
| 93 | D | 93.6 | Very high | 96.2 | Very high | 112 Ų | 112 | 62.2 Ų | 62.2 | 60% | 0.599 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -19.4 | -171.1 | 62.4 | -65 | 0 | 0 | 0 | 113.7 | D89 | D89-D93 PolarHBondContact O-N 3.01Š|
| 94 | K | 96.4 | Very high | 96.3 | Very high | 123 Ų | 123 | 57 Ų | 57 | 54% | 0.535 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 8.4 | 174.4 | -54.7 | -59.5 | -178.8 | -174.8 | 0 | 113.3 | D89 I90 S96 | D89-K94 HydrophobicContact CB-CB 4.14Å; D89-K94 HydrophobicContact CB-CG 3.72Å; D89-K94 PolarHBondContact O-N 3.32Å; D89-K94 WeakPolarHBondContact OD2-CG 3.41Å; I90-K94 HydrophobicContact CG2-CB 4.23Å; K94-S96 PolarHBondContact O-N 2.79Å |
| 95 | W | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 56.8 Ų | 56.8 | 13% | 0.129 | 29% | 0.29 | C | S | . | . | trans | -59.1 | 135.4 | 172.6 | 175 | -110.7 | 0 | 0 | 0 | 110.6 | Y62 P63 M64 A66 P67 I90 L99 V104 | Y62-W95 HydrophobicContact CD2-CZ2 4.26Å; Y62-W95 AromaticContact CE2-CH2 3.74Å; Y62-W95 HydrophobicContact CE2-CH2 3.74Å; Y62-W95 AromaticContact CE2-CZ2 3.78Å; Y62-W95 HydrophobicContact CE2-CZ2 3.78Å; P63-W95 HydrophobicContact CB-CZ2 4.38Å; P63-W95 WeakPolarHBondContact O-CZ2 3.29Å; P63-W95 PolarHBondContact O-NE1 3.17Å; M64-W95 PolarHBondContact O-NE1 3.02Å; A66-W95 VanDerWaalsContact CA-CD2 3.48Å; A66-W95 HydrophobicContact CB-CB 3.99Å; A66-W95 HydrophobicContact CB-CD2 3.57Å; A66-W95 HydrophobicContact CB-CE3 3.8Å; A66-W95 HydrophobicContact CB-CG 3.63Å; P67-W95 HydrophobicContact CG-CH2 4.35Å; P67-W95 HydrophobicContact CG-CZ3 4.47Å; I90-W95 VanDerWaalsContact O-CA 3.29Å; I90-W95 WeakPolarHBondContact O-CA 3.34Å; I90-W95 WeakPolarHBondContact O-CB 3.36Å; W95-L99 HydrophobicContact CE3-CB 4.14Å; W95-L99 HydrophobicContact CE3-CD1 4.01Å; W95-L99 HydrophobicContact CH2-CB 3.97Å; W95-L99 WeakPolarHBondContact CH2-O 3.36Å; W95-L99 HydrophobicContact CZ3-CB 3.55Å; W95-L99 HydrophobicContact CZ3-CD1 4.2Å; W95-L99 HydrophobicContact CZ3-CG 4.5Å; W95-V104 HydrophobicContact CZ3-CG2 3.82Å | ||
| 96 | S | 98 | Very high | 96.3 | Very high | 50 Ų | 50 | 53.1 Ų | 53.1 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | trans | -131.8 | 137.1 | 172.2 | 171 | 0 | 0 | 0 | 0 | 108.9 | K94 A98 L99 | K94-S96 PolarHBondContact O-N 2.79Å; S96-A98 PolarHBondContact O-N 2.89Å; S96-A98 WeakPolarHBondContact OG-CB 3.15Å; S96-A98 PolarHBondContact OG-N 3.1Å; S96-L99 WeakPolarHBondContact O-CB 3.49Å; S96-L99 PolarHBondContact O-N 2.62Å | ||
| 97 | P | 97.5 | Very high | 96.3 | Very high | 47 Ų | 47 | 54 Ų | 54 | 31% | 0.305 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -12.8 | 171.8 | -24.9 | 34.3 | 0 | 0 | 0 | 114.1 | R7 P63 M64 L99 | R7-P97 PolarHBondContact NH1-O 2.85Å; R7-P97 PolarHBondContact NH2-O 2.69Å; P63-P97 HydrophobicContact CB-CB 4.34Å; P63-P97 HydrophobicContact CG-CB 4.35Å; P63-P97 WeakPolarHBondContact O-CA 3.34Å; P63-P97 WeakPolarHBondContact O-CB 3.49Å; M64-P97 HydrophobicContact CE-CB 3.53Å; M64-P97 HydrophobicContact CE-CG 3.56Å; M64-P97 HydrophobicContact SD-CG 4.06Å; P97-L99 VanDerWaalsContact C-N 3.32Å |
| 98 | A | 97.3 | Very high | 96.5 | Very high | 80 Ų | 80 | 52.6 Ų | 52.6 | 66% | 0.661 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -26.7 | 172 | 0 | 0 | 0 | 0 | 0 | 112.9 | S96 | S96-A98 PolarHBondContact O-N 2.89Å; S96-A98 WeakPolarHBondContact OG-CB 3.15Å; S96-A98 PolarHBondContact OG-N 3.1Å |
| 99 | L | 97.7 | Very high | 96.6 | Very high | 37 Ų | 37 | 53.1 Ų | 53.1 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | trans | -71.6 | 145.6 | 178.5 | -62.1 | 175 | 0 | 0 | 0 | 111 | R7 I90 W95 S96 P97 T103 | R7-L99 PolarHBondContact NH2-O 2.64Å; I90-L99 HydrophobicContact CB-CD1 3.92Å; I90-L99 HydrophobicContact CD1-CD1 4.42Å; I90-L99 HydrophobicContact CG2-CD1 4.1Å; W95-L99 HydrophobicContact CE3-CB 4.14Å; W95-L99 HydrophobicContact CE3-CD1 4.01Å; W95-L99 HydrophobicContact CH2-CB 3.97Å; W95-L99 WeakPolarHBondContact CH2-O 3.36Å; W95-L99 HydrophobicContact CZ3-CB 3.55Å; W95-L99 HydrophobicContact CZ3-CD1 4.2Å; W95-L99 HydrophobicContact CZ3-CG 4.5Å; S96-L99 WeakPolarHBondContact O-CB 3.49Å; S96-L99 PolarHBondContact O-N 2.62Å; P97-L99 VanDerWaalsContact C-N 3.32Å; L99-T103 HydrophobicContact CD2-CG2 3.78Å | ||
| 100 | Q | 96.8 | Very high | 96.7 | Very high | 67 Ų | 67 | 52 Ų | 52 | 31% | 0.313 | 28% | 0.283 | S | S | . | . | trans | -117 | 165.7 | -178.6 | -69.8 | -179.5 | 4.2 | 0 | 0 | 110.3 | E11 R102 T103 V104 | E11-Q100 HydrophobicContact CG-CG 4.31Å; E11-Q100 VanDerWaalsContact OE2-CA 3.25Å; E11-Q100 WeakPolarHBondContact OE2-CA 3.28Å; E11-Q100 WeakPolarHBondContact OE2-CB 3.45Å; Q100-R102 PolarHBondContact O-N 3.1Å; Q100-T103 PolarHBondContact O-N 3.45Å; Q100-V104 PolarHBondContact O-N 3.28Å | ||
| 101 | I | 96.9 | Very high | 96.7 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -50.4 | -48.5 | 175.7 | -61.8 | 166.7 | 0 | 0 | 0 | 110.3 | E11 L15 F35 L56 L58 T103 V104 L105 | E11-I101 HydrophobicContact CB-CD1 4.21Å; E11-I101 PolarHBondContact OE2-N 3.05Å; L15-I101 HydrophobicContact CD1-CB 3.96Å; L15-I101 HydrophobicContact CD1-CD1 4.1Å; L15-I101 HydrophobicContact CD1-CG2 3.64Å; F35-I101 HydrophobicContact CE1-CD1 4.41Å; F35-I101 HydrophobicContact CE2-CD1 4.21Å; F35-I101 HydrophobicContact CZ-CD1 3.99Å; L56-I101 HydrophobicContact CD1-CG2 3.82Å; L56-I101 HydrophobicContact CD2-CG2 4.46Å; L58-I101 HydrophobicContact CD1-CD1 3.87Å; L58-I101 HydrophobicContact CD2-CD1 4.14Å; L58-I101 HydrophobicContact CD2-CG1 4.03Å; L58-I101 HydrophobicContact CG-CD1 4.48Å; I101-T103 VanDerWaalsContact C-N 3.33Å; I101-T103 PolarHBondContact O-N 3.27Å; I101-V104 WeakPolarHBondContact O-CB 3.34Å; I101-V104 PolarHBondContact O-N 2.96Å; I101-V104 VanDerWaalsContact O-N 3.16Å; I101-L105 HydrophobicContact CG2-CD1 3.97Å; I101-L105 HydrophobicContact CG2-CG 4.24Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 2.93Å |
| 102 | R | 96.4 | Very high | 96.8 | Very high | 61 Ų | 61 | 50.4 Ų | 50.4 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -50.8 | -50.3 | 175.9 | 165 | 175.1 | -77.5 | -109 | 21.7 | 112.4 | L15 D18 C20 Q100 V104 L105 L106 | L15-R102 HydrophobicContact CD2-CB 4.02Å; D18-R102 PolarHBondContact O-NH2 3.4Å; D18-R102 IonicContact OD1-NH2 2.68Å; D18-R102 PolarHBondContact OD1-NH2 2.89Å; D18-R102 IonicContact OD2-CZ 3.47Å; D18-R102 IonicContact OD2-NH2 3.42Å; D18-R102 PolarHBondContact OD2-NH2 2.94Å; C20-R102 PolarHBondContact SG-NH1 3.36Å; Q100-R102 PolarHBondContact O-N 3.1Å; R102-V104 VanDerWaalsContact C-N 3.34Å; R102-V104 PolarHBondContact O-N 3.47Å; R102-L105 PolarHBondContact O-N 3.04Å; R102-L106 HydrophobicContact CG-CD1 3.88Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 3.24Å |
| 103 | T | 96.3 | Very high | 96.9 | Very high | 53 Ų | 53 | 45.2 Ų | 45.2 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.9 | -40.3 | -177.5 | -44.8 | 0 | 0 | 0 | 0 | 111 | L99 Q100 I101 L106 S107 | L99-T103 HydrophobicContact CD2-CG2 3.78Å; Q100-T103 PolarHBondContact O-N 3.45Å; I101-T103 VanDerWaalsContact C-N 3.33Å; I101-T103 PolarHBondContact O-N 3.27Å; T103-L106 PolarHBondContact O-N 3.22Å; T103-S107 PolarHBondContact O-N 3.21Å; T103-S107 PolarHBondContact O-OG 3.42Å; T103-S107 VanDerWaalsContact O-OG 3.1Å |
| 104 | V | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 111.1 | P67 V69 I90 L91 W95 Q100 I101 R102 L106 S107 I108 | P67-V104 HydrophobicContact CG-CG2 4.44Å; V69-V104 HydrophobicContact CG2-CG1 4.14Å; I90-V104 HydrophobicContact CD1-CG2 4.22Å; L91-V104 HydrophobicContact CD2-CG1 3.65Å; W95-V104 HydrophobicContact CZ3-CG2 3.82Å; Q100-V104 PolarHBondContact O-N 3.28Å; I101-V104 WeakPolarHBondContact O-CB 3.34Å; I101-V104 PolarHBondContact O-N 2.96Å; I101-V104 VanDerWaalsContact O-N 3.16Å; R102-V104 VanDerWaalsContact C-N 3.34Å; R102-V104 PolarHBondContact O-N 3.47Å; V104-L106 PolarHBondContact O-N 3.45Å; V104-S107 PolarHBondContact O-N 2.9Å; V104-I108 HydrophobicContact CG1-CD1 3.95Å; V104-I108 WeakPolarHBondContact O-CG1 3.36Å; V104-I108 PolarHBondContact O-N 2.95Å |
| 105 | L | 97.7 | Very high | 96.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.7 | -39.5 | -179.3 | -62 | -178.5 | 0 | 0 | 0 | 112.3 | I23 A25 V37 I39 L56 I101 R102 I108 Q109 | I23-L105 HydrophobicContact CD1-CB 4.02Å; I23-L105 HydrophobicContact CG2-CB 3.94Å; I23-L105 HydrophobicContact CG2-CD1 3.7Å; I23-L105 HydrophobicContact CG2-CG 4.42Å; A25-L105 HydrophobicContact CB-CD1 3.76Å; V37-L105 HydrophobicContact CG1-CD1 3.89Å; V37-L105 HydrophobicContact CG1-CD2 3.84Å; V37-L105 HydrophobicContact CG1-CG 4.47Å; V37-L105 HydrophobicContact CG2-CD1 4.29Å; V37-L105 HydrophobicContact CG2-CD2 4.34Å; I39-L105 HydrophobicContact CD1-CD2 4.5Å; L56-L105 HydrophobicContact CD1-CD2 3.95Å; L56-L105 HydrophobicContact CD1-CG 4.5Å; I101-L105 HydrophobicContact CG2-CD1 3.97Å; I101-L105 HydrophobicContact CG2-CG 4.24Å; I101-L105 WeakPolarHBondContact O-CG 3.41Å; I101-L105 PolarHBondContact O-N 2.93Å; R102-L105 PolarHBondContact O-N 3.04Å; L105-I108 HydrophobicContact CD2-CD1 4.43Å; L105-I108 PolarHBondContact O-N 3.25Å; L105-Q109 PolarHBondContact O-N 3.41Å |
| 106 | L | 96.8 | Very high | 96.6 | Very high | 68 Ų | 68 | 40.6 Ų | 40.6 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 173.5 | -74 | 168.3 | 0 | 0 | 0 | 112 | C20 I23 R102 T103 V104 I108 Q109 A110 | C20-L106 HydrophobicContact CB-CD2 4.15Å; I23-L106 HydrophobicContact CD1-CD2 3.83Å; I23-L106 HydrophobicContact CD1-CG 4.17Å; R102-L106 HydrophobicContact CG-CD1 3.88Å; R102-L106 WeakPolarHBondContact O-CG 3.43Å; R102-L106 PolarHBondContact O-N 3.24Å; T103-L106 PolarHBondContact O-N 3.22Å; V104-L106 PolarHBondContact O-N 3.45Å; L106-I108 VanDerWaalsContact C-N 3.34Å; L106-Q109 PolarHBondContact O-N 3.07Å; L106-A110 WeakPolarHBondContact O-CB 3.41Å; L106-A110 PolarHBondContact O-N 3.44Å |
| 107 | S | 97.2 | Very high | 96.3 | Very high | 39 Ų | 39 | 39.4 Ų | 39.4 | 27% | 0.273 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -66.3 | -35.5 | 175.2 | -64.8 | 0 | 0 | 0 | 0 | 112.5 | T103 V104 A110 L111 | T103-S107 PolarHBondContact O-N 3.21Å; T103-S107 PolarHBondContact O-OG 3.42Å; T103-S107 VanDerWaalsContact O-OG 3.1Å; V104-S107 PolarHBondContact O-N 2.9Å; S107-A110 PolarHBondContact O-N 3.41Å; S107-L111 PolarHBondContact O-N 3.41Å |
| 108 | I | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.6 | -43.8 | 173.4 | -68 | 166.4 | 0 | 0 | 0 | 110.6 | I39 L54 V69 F71 I86 L88 V104 L105 L106 A110 L111 L112 | I39-I108 HydrophobicContact CD1-CB 4.27Å; I39-I108 HydrophobicContact CD1-CG2 3.9Å; L54-I108 HydrophobicContact CD2-CG2 4.06Å; V69-I108 HydrophobicContact CB-CD1 4.12Å; V69-I108 HydrophobicContact CG1-CD1 3.67Å; V69-I108 HydrophobicContact CG2-CD1 4.33Å; F71-I108 HydrophobicContact CE2-CG2 3.9Å; F71-I108 HydrophobicContact CZ-CG2 3.7Å; I86-I108 HydrophobicContact CD1-CD1 3.86Å; I86-I108 HydrophobicContact CD1-CG1 4.17Å; I86-I108 HydrophobicContact CD1-CG2 4.2Å; L88-I108 HydrophobicContact CD2-CG1 3.88Å; V104-I108 HydrophobicContact CG1-CD1 3.95Å; V104-I108 WeakPolarHBondContact O-CG1 3.36Å; V104-I108 PolarHBondContact O-N 2.95Å; L105-I108 HydrophobicContact CD2-CD1 4.43Å; L105-I108 PolarHBondContact O-N 3.25Å; L106-I108 VanDerWaalsContact C-N 3.34Å; I108-A110 VanDerWaalsContact C-N 3.31Å; I108-A110 PolarHBondContact O-N 3.41Å; I108-L111 WeakPolarHBondContact O-CB 3.5Å; I108-L111 PolarHBondContact O-N 3.34Å; I108-L112 PolarHBondContact O-N 3.35Å |
| 109 | Q | 97.4 | Very high | 95.5 | Very high | 36 Ų | 36 | 43.7 Ų | 43.7 | 17% | 0.168 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 174.6 | -173.4 | 179.9 | 53.8 | 0 | 0 | 111.4 | I23 I39 D40 P42 L105 L106 L111 L112 S113 | I23-Q109 HydrophobicContact CD1-CB 4.25Å; I39-Q109 HydrophobicContact CG2-CB 3.84Å; I39-Q109 HydrophobicContact CG2-CG 3.81Å; D40-Q109 PolarHBondContact O-NE2 2.84Å; D40-Q109 VanDerWaalsContact O-NE2 3.12Å; P42-Q109 HydrophobicContact CG-CG 3.9Å; P42-Q109 VanDerWaalsContact CG-O 3.25Å; P42-Q109 WeakPolarHBondContact CG-O 3.42Å; L105-Q109 PolarHBondContact O-N 3.41Å; L106-Q109 PolarHBondContact O-N 3.07Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 3.15Å; Q109-L112 WeakPolarHBondContact O-CB 3.03Å; Q109-L112 PolarHBondContact O-N 2.94Å; Q109-S113 PolarHBondContact O-N 2.64Å |
| 110 | A | 96.4 | Very high | 95.1 | Very high | 55 Ų | 55 | 44.3 Ų | 44.3 | 46% | 0.455 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L106 S107 I108 L112 S113 A114 | L106-A110 WeakPolarHBondContact O-CB 3.41Å; L106-A110 PolarHBondContact O-N 3.44Å; S107-A110 PolarHBondContact O-N 3.41Å; I108-A110 VanDerWaalsContact C-N 3.31Å; I108-A110 PolarHBondContact O-N 3.41Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 2.94Å; A110-S113 WeakPolarHBondContact O-CB 3.18Å; A110-S113 PolarHBondContact O-N 3.1Å; A110-A114 PolarHBondContact O-N 2.88Å; A110-A114 VanDerWaalsContact O-N 3.1Å |
| 111 | L | 96.5 | Very high | 94.7 | Very high | 19 Ų | 19 | 44.7 Ų | 44.7 | 10% | 0.099 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -38.1 | 174.4 | -178.1 | 64.2 | 0 | 0 | 0 | 111.4 | H77 N79 I86 L88 S107 I108 Q109 S113 A114 | H77-L111 PolarHBondContact NE2-O 2.88Å; H77-L111 VanDerWaalsContact NE2-O 3.15Å; N79-L111 HydrophobicContact CB-CD1 4.26Å; N79-L111 HydrophobicContact CB-CD2 4.05Å; N79-L111 HydrophobicContact CB-CG 4.48Å; I86-L111 HydrophobicContact CG2-CD2 3.75Å; L88-L111 HydrophobicContact CB-CD2 4.45Å; L88-L111 HydrophobicContact CD1-CD2 4.4Å; S107-L111 PolarHBondContact O-N 3.41Å; I108-L111 WeakPolarHBondContact O-CB 3.5Å; I108-L111 PolarHBondContact O-N 3.34Å; Q109-L111 VanDerWaalsContact C-N 3.34Å; Q109-L111 PolarHBondContact O-N 3.15Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.47Å; L111-A114 CarbonylContact O-C 3.59Å; L111-A114 PolarHBondContact O-N 3.42Å |
| 112 | L | 97.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -34.8 | 173.7 | -61.8 | -179.4 | 0 | 0 | 0 | 112.1 | I39 P42 Y47 F52 F71 L75 I80 I108 Q109 A110 | I39-L112 HydrophobicContact CG2-CD1 4.39Å; P42-L112 HydrophobicContact CG-CB 3.93Å; Y47-L112 HydrophobicContact CD2-CB 3.77Å; Y47-L112 HydrophobicContact CD2-CD2 4.39Å; Y47-L112 WeakPolarHBondContact CD2-O 3.37Å; Y47-L112 HydrophobicContact CE2-CB 4.17Å; Y47-L112 HydrophobicContact CE2-CD2 4.37Å; Y47-L112 WeakPolarHBondContact CE2-O 3.41Å; Y47-L112 HydrophobicContact CG-CB 4.36Å; F52-L112 HydrophobicContact CD2-CD1 4.4Å; F71-L112 HydrophobicContact CZ-CD1 4.36Å; F71-L112 HydrophobicContact CZ-CD2 4.09Å; F71-L112 HydrophobicContact CZ-CG 4.49Å; L75-L112 HydrophobicContact CD1-CD2 3.68Å; I80-L112 HydrophobicContact CD1-CD2 3.94Å; I108-L112 PolarHBondContact O-N 3.35Å; Q109-L112 WeakPolarHBondContact O-CB 3.03Å; Q109-L112 PolarHBondContact O-N 2.94Å; A110-L112 VanDerWaalsContact C-N 3.27Å; A110-L112 PolarHBondContact O-N 2.94Å |
| 113 | S | 95.5 | Very high | 94 | Very high | 66 Ų | 66 | 44.7 Ų | 44.7 | 46% | 0.462 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -71.6 | -32.1 | 175.6 | -58.7 | 0 | 0 | 0 | 0 | 113.2 | P42 Q109 A110 L111 | P42-S113 WeakPolarHBondContact CB-OG 3.39Å; P42-S113 WeakPolarHBondContact CG-OG 3.36Å; Q109-S113 PolarHBondContact O-N 2.64Å; A110-S113 WeakPolarHBondContact O-CB 3.18Å; A110-S113 PolarHBondContact O-N 3.1Å; L111-S113 VanDerWaalsContact C-N 3.28Å; L111-S113 PolarHBondContact O-N 3.47Å |
| 114 | A | 95 | Very high | 93.9 | Very high | 69 Ų | 69 | 48.5 Ų | 48.5 | 57% | 0.57 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -131.4 | 74.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A110 L111 | A110-A114 PolarHBondContact O-N 2.88Å; A110-A114 VanDerWaalsContact O-N 3.1Å; L111-A114 CarbonylContact O-C 3.59Å; L111-A114 PolarHBondContact O-N 3.42Å |
| 115 | P | 94.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 49 Ų | 49 | 20% | 0.201 | 29% | 0.293 | C | S | . | . | trans | -59.2 | 139.5 | 175.8 | -22.9 | 34.6 | 0 | 0 | 0 | 111.6 | Y47 P78 P117 W129 | Y47-P115 HydrophobicContact CE2-CG 4.49Å; P78-P115 HydrophobicContact CG-CB 3.61Å; P115-P117 WeakPolarHBondContact O-CD 3.32Å; P115-W129 HydrophobicContact CB-CH2 4.49Å; P115-W129 HydrophobicContact CB-CZ2 3.99Å; P115-W129 HydrophobicContact CG-CH2 4.19Å; P115-W129 HydrophobicContact CG-CZ2 3.69Å | ||
| 116 | N | 92.7 | Very high | 93.7 | Very high | 72 Ų | 72 | 49.2 Ų | 49.2 | 39% | 0.385 | 30% | 0.295 | S | S | . | . | trans | -114.1 | 93.3 | 179.8 | -178.4 | 10.3 | 0 | 0 | 0 | 111.1 | N79 E118 D119 | N79-N116 PolarHBondContact ND2-O 3.21Å; N79-N116 PolarHBondContact OD1-N 3.35Å; N79-N116 PolarHBondContact OD1-O 2.95Å; N116-E118 PolarHBondContact O-N 2.79Å; N116-E118 WeakPolarHBondContact OD1-CB 3.29Å; N116-E118 PolarHBondContact OD1-N 2.74Å; N116-D119 PolarHBondContact O-N 2.73Å | ||
| 117 | P | 91.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 48.8 Ų | 48.8 | 16% | 0.156 | 30% | 0.298 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -8 | 178.9 | 31.2 | -36.1 | 0 | 0 | 0 | 113.7 | P78 P115 A126 W129 K130 | P78-P117 HydrophobicContact CB-CB 4.38Å; P115-P117 WeakPolarHBondContact O-CD 3.32Å; P117-A126 HydrophobicContact CB-CB 4.39Å; P117-W129 HydrophobicContact CB-CB 4.16Å; P117-K130 VanDerWaalsContact C-CE 3.47Å; P117-K130 HydrophobicContact CB-CG 3.88Å; P117-K130 HydrophobicContact CG-CG 4.23Å; P117-K130 WeakPolarHBondContact O-CE 3.47Å; P117-K130 PolarHBondContact O-NZ 3.2Å |
| 118 | E | 90.4 | Very high | 93.7 | Very high | 133 Ų | 133 | 48.9 Ų | 48.9 | 62% | 0.621 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -20.1 | 176.6 | -58.7 | -52.6 | 125.3 | 0 | 0 | 113.7 | N116 K130 | N116-E118 PolarHBondContact O-N 2.79Å; N116-E118 WeakPolarHBondContact OD1-CB 3.29Å; N116-E118 PolarHBondContact OD1-N 2.74Å; E118-K130 WeakPolarHBondContact OE1-CE 3.45Å; E118-K130 IonicContact OE1-NZ 3.22Å; E118-K130 PolarHBondContact OE1-NZ 3.39Å; E118-K130 IonicContact OE2-NZ 3.01Å; E118-K130 PolarHBondContact OE2-NZ 3.16Å |
| 119 | D | 87.4 | Confident | 93.7 | Very high | 85 Ų | 85 | 49.2 Ų | 49.2 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -127.9 | 67.8 | 175.3 | -171.9 | 19.5 | 0 | 0 | 0 | 112 | N79 C87 N116 | N79-D119 PolarHBondContact ND2-O 3.45Å; C87-D119 PolarHBondContact SG-OD2 2.94Å; C87-D119 VanDerWaalsContact SG-OD2 3.42Å; N116-D119 PolarHBondContact O-N 2.73Å |
| 120 | P | 88.8 | Confident | 93.6 | Very high | 49 Ų | 49 | 52.5 Ų | 52.5 | 32% | 0.318 | 31% | 0.308 | S | S | . | . | trans | -85.7 | 153.5 | -168.8 | 36.2 | -37.1 | 0 | 0 | 0 | 113.5 | P78 A126 | P78-P120 WeakPolarHBondContact O-CA 3.43Å; P120-A126 HydrophobicContact CB-CB 3.28Å; P120-A126 HydrophobicContact CG-CB 3.8Å | ||
| 121 | L | 88.3 | Confident | 93.6 | Very high | 75 Ų | 75 | 57.4 Ų | 57.4 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -95 | -33.2 | 159.9 | -73.2 | -178.6 | 0 | 0 | 0 | 112.3 | P78 D81 R85 I86 C87 | P78-L121 PolarHBondContact O-N 2.75Å; D81-L121 HydrophobicContact CB-CB 4.13Å; R85-L121 HydrophobicContact CB-CD1 4.25Å; R85-L121 WeakPolarHBondContact O-CD1 3.35Å; I86-L121 VanDerWaalsContact C-CD1 3.42Å; C87-L121 HydrophobicContact CB-CD1 3.8Å; C87-L121 HydrophobicContact CB-CD2 3.84Å; C87-L121 HydrophobicContact CB-CG 3.46Å; C87-L121 VanDerWaalsContact CB-CG 3.46Å |
| 122 | D | 88.2 | Confident | 93.7 | Very high | 20 Ų | 20 | 59.7 Ų | 59.7 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | trans | -107.7 | 102.1 | 176.8 | -166.7 | -42.8 | 0 | 0 | 0 | 109.5 | P78 R82 E124 V125 A126 | P78-D122 PolarHBondContact O-N 3.09Å; R82-D122 IonicContact NE-OD2 2.7Å; D122-E124 VanDerWaalsContact C-N 3.27Å; D122-E124 PolarHBondContact O-N 3.26Å; D122-E124 PolarHBondContact OD1-N 3.31Å; D122-E124 VanDerWaalsContact OD1-N 3.1Å; D122-V125 HydrophobicContact CB-CB 3.96Å; D122-V125 HydrophobicContact CB-CG2 3.88Å; D122-V125 VanDerWaalsContact CG-CG2 3.43Å; D122-V125 PolarHBondContact O-N 3.21Å; D122-V125 PolarHBondContact OD1-N 3.28Å; D122-V125 VanDerWaalsContact OD1-N 3.09Å; D122-A126 VanDerWaalsContact O-CB 3.32Å; D122-A126 WeakPolarHBondContact O-CB 3.16Å; D122-A126 PolarHBondContact O-N 2.98Å | ||
| 123 | G | 90.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 65.1 Ų | 65.1 | 44% | 0.443 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.6 | -28.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S127 | G123-S127 VanDerWaalsContact O-CB 3.24Å; G123-S127 WeakPolarHBondContact O-CB 3.46Å; G123-S127 PolarHBondContact O-N 2.94Å; G123-S127 PolarHBondContact O-OG 2.85Å |
| 124 | E | 93.9 | Very high | 93.7 | Very high | 132 Ų | 132 | 66.1 Ų | 66.1 | 62% | 0.617 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -72.5 | -48.3 | 175.5 | -67.4 | -179.5 | 174.5 | 0 | 0 | 109.9 | R82 D122 A126 S127 H128 | R82-E124 IonicContact CZ-OE2 3.84Å; R82-E124 IonicContact NH2-OE2 2.83Å; R82-E124 PolarHBondContact NH2-OE2 3.35Å; D122-E124 VanDerWaalsContact C-N 3.27Å; D122-E124 PolarHBondContact O-N 3.26Å; D122-E124 PolarHBondContact OD1-N 3.31Å; D122-E124 VanDerWaalsContact OD1-N 3.1Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.89Å; E124-S127 PolarHBondContact O-N 2.86Å; E124-H128 PolarHBondContact O-N 3.22Å |
| 125 | V | 96 | Very high | 93.8 | Very high | 12 Ų | 12 | 68.1 Ų | 68.1 | 7% | 0.073 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 177.7 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | Y76 P78 D122 H128 W129 | Y76-V125 HydrophobicContact CD1-CG1 4.14Å; Y76-V125 HydrophobicContact CD2-CG2 4.17Å; Y76-V125 HydrophobicContact CE1-CG1 3.74Å; Y76-V125 HydrophobicContact CE2-CB 4.43Å; Y76-V125 HydrophobicContact CE2-CG1 4.21Å; Y76-V125 HydrophobicContact CE2-CG2 3.7Å; P78-V125 HydrophobicContact CB-CG1 4.38Å; D122-V125 HydrophobicContact CB-CB 3.96Å; D122-V125 HydrophobicContact CB-CG2 3.88Å; D122-V125 VanDerWaalsContact CG-CG2 3.43Å; D122-V125 PolarHBondContact O-N 3.21Å; D122-V125 PolarHBondContact OD1-N 3.28Å; D122-V125 VanDerWaalsContact OD1-N 3.09Å; V125-H128 PolarHBondContact O-N 2.9Å; V125-W129 HydrophobicContact CG1-CE3 3.96Å; V125-W129 HydrophobicContact CG1-CZ3 4.26Å; V125-W129 WeakPolarHBondContact O-CB 3.36Å; V125-W129 PolarHBondContact O-N 3.37Å |
| 126 | A | 95.6 | Very high | 94 | Very high | 3 Ų | 3 | 66.6 Ų | 66.6 | 3% | 0.025 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P78 P117 P120 D122 E124 H128 W129 K130 | P78-A126 HydrophobicContact CB-CB 4.01Å; P117-A126 HydrophobicContact CB-CB 4.39Å; P120-A126 HydrophobicContact CB-CB 3.28Å; P120-A126 HydrophobicContact CG-CB 3.8Å; D122-A126 VanDerWaalsContact O-CB 3.32Å; D122-A126 WeakPolarHBondContact O-CB 3.16Å; D122-A126 PolarHBondContact O-N 2.98Å; E124-A126 VanDerWaalsContact C-N 3.32Å; E124-A126 PolarHBondContact O-N 2.89Å; A126-H128 VanDerWaalsContact C-N 3.33Å; A126-H128 PolarHBondContact O-N 3.22Å; A126-W129 PolarHBondContact O-N 3Å; A126-K130 WeakPolarHBondContact O-CG 3.37Å; A126-K130 PolarHBondContact O-N 3.15Å |
| 127 | S | 96.7 | Very high | 94.2 | Very high | 60 Ų | 60 | 65.3 Ų | 65.3 | 42% | 0.42 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 174.3 | -64.3 | 0 | 0 | 0 | 0 | 111.2 | G123 E124 K130 Q131 | G123-S127 VanDerWaalsContact O-CB 3.24Å; G123-S127 WeakPolarHBondContact O-CB 3.46Å; G123-S127 PolarHBondContact O-N 2.94Å; G123-S127 PolarHBondContact O-OG 2.85Å; E124-S127 PolarHBondContact O-N 2.86Å; S127-K130 PolarHBondContact O-N 3.08Å; S127-Q131 WeakPolarHBondContact O-CB 3.41Å; S127-Q131 WeakPolarHBondContact O-CG 3.45Å; S127-Q131 PolarHBondContact O-N 3.42Å |
| 128 | H | 97.2 | Very high | 94.5 | Very high | 40 Ų | 40 | 66.4 Ų | 66.4 | 19% | 0.185 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 173.9 | -178.2 | -164.6 | 0 | 0 | 0 | 111.3 | Y76 E124 V125 A126 K130 Q131 N132 E135 | Y76-H128 AromaticContact CZ-ND1 3.62Å; Y76-H128 WeakPolarHBondContact OH-CB 3.42Å; Y76-H128 PolarHBondContact OH-ND1 3.41Å; E124-H128 PolarHBondContact O-N 3.22Å; V125-H128 PolarHBondContact O-N 2.9Å; A126-H128 VanDerWaalsContact C-N 3.33Å; A126-H128 PolarHBondContact O-N 3.22Å; H128-K130 VanDerWaalsContact C-N 3.33Å; H128-K130 PolarHBondContact O-N 2.97Å; H128-Q131 PolarHBondContact O-N 2.83Å; H128-N132 PolarHBondContact O-N 2.93Å; H128-E135 WeakPolarHBondContact NE2-CG 3.48Å; H128-E135 IonicContact NE2-OE2 2.81Å |
| 129 | W | 96.9 | Very high | 94.9 | Very high | 8 Ų | 8 | 63.4 Ų | 63.4 | 3% | 0.03 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.6 | -40.5 | 177.8 | -138.4 | -70.3 | 0 | 0 | 0 | 113 | Y47 Y76 P78 P115 P117 V125 A126 E133 A136 L137 A140 | Y47-W129 WeakPolarHBondContact OH-CH2 3.25Å; Y76-W129 HydrophobicContact CD1-CE3 4.37Å; Y76-W129 AromaticContact CD1-CZ3 3.8Å; Y76-W129 HydrophobicContact CD1-CZ3 3.8Å; Y76-W129 HydrophobicContact CE1-CE3 4.12Å; Y76-W129 HydrophobicContact CE1-CZ3 4.01Å; Y76-W129 WeakPolarHBondContact O-CZ3 3.41Å; P78-W129 VanDerWaalsContact CD-CE3 3.5Å; P78-W129 VanDerWaalsContact CD-CZ3 3.5Å; P78-W129 HydrophobicContact CG-CD2 4.22Å; P78-W129 HydrophobicContact CG-CE3 4.14Å; P115-W129 HydrophobicContact CB-CH2 4.49Å; P115-W129 HydrophobicContact CB-CZ2 3.99Å; P115-W129 HydrophobicContact CG-CH2 4.19Å; P115-W129 HydrophobicContact CG-CZ2 3.69Å; P117-W129 HydrophobicContact CB-CB 4.16Å; V125-W129 HydrophobicContact CG1-CE3 3.96Å; V125-W129 HydrophobicContact CG1-CZ3 4.26Å; V125-W129 WeakPolarHBondContact O-CB 3.36Å; V125-W129 PolarHBondContact O-N 3.37Å; A126-W129 PolarHBondContact O-N 3Å; W129-E133 WeakPolarHBondContact O-CA 3Å; W129-E133 PolarHBondContact O-N 3.1Å; W129-A136 HydrophobicContact CB-CB 4.22Å; W129-A136 HydrophobicContact CD2-CB 3.75Å; W129-A136 HydrophobicContact CE3-CB 3.8Å; W129-A136 HydrophobicContact CG-CB 3.94Å; W129-A136 HydrophobicContact CZ3-CB 4.42Å; W129-L137 HydrophobicContact CH2-CD2 4.41Å; W129-L137 HydrophobicContact CZ2-CD2 3.63Å; W129-L137 HydrophobicContact CZ2-CG 4.23Å; W129-A140 HydrophobicContact CH2-CB 4.09Å |
| 130 | K | 96.3 | Very high | 95.4 | Very high | 105 Ų | 105 | 59.4 Ų | 59.4 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -71.7 | -35.4 | 177.2 | -68.1 | -174.7 | -169.4 | -158.1 | 0 | 112.9 | P117 E118 A126 S127 H128 | P117-K130 VanDerWaalsContact C-CE 3.47Å; P117-K130 HydrophobicContact CB-CG 3.88Å; P117-K130 HydrophobicContact CG-CG 4.23Å; P117-K130 WeakPolarHBondContact O-CE 3.47Å; P117-K130 PolarHBondContact O-NZ 3.2Å; E118-K130 WeakPolarHBondContact OE1-CE 3.45Å; E118-K130 IonicContact OE1-NZ 3.22Å; E118-K130 PolarHBondContact OE1-NZ 3.39Å; E118-K130 IonicContact OE2-NZ 3.01Å; E118-K130 PolarHBondContact OE2-NZ 3.16Å; A126-K130 WeakPolarHBondContact O-CG 3.37Å; A126-K130 PolarHBondContact O-N 3.15Å; S127-K130 PolarHBondContact O-N 3.08Å; H128-K130 VanDerWaalsContact C-N 3.33Å; H128-K130 PolarHBondContact O-N 2.97Å |
| 131 | Q | 97.2 | Very high | 95.9 | Very high | 159 Ų | 159 | 63.5 Ų | 63.5 | 74% | 0.743 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -75.7 | -43.9 | -178.4 | -74 | 171.4 | 19.5 | 0 | 0 | 112.1 | S127 H128 | S127-Q131 WeakPolarHBondContact O-CB 3.41Å; S127-Q131 WeakPolarHBondContact O-CG 3.45Å; S127-Q131 PolarHBondContact O-N 3.42Å; H128-Q131 PolarHBondContact O-N 2.83Å |
| 132 | N | 96.9 | Very high | 96.3 | Very high | 67 Ų | 67 | 64 Ų | 64 | 36% | 0.358 | 33% | 0.332 | S | S | . | . | trans | -150.9 | 83.8 | -178 | -170 | -6.5 | 0 | 0 | 0 | 110.7 | H128 S134 E135 A136 | H128-N132 PolarHBondContact O-N 2.93Å; N132-S134 PolarHBondContact O-N 3.16Å; N132-S134 PolarHBondContact OD1-N 3.07Å; N132-E135 HydrophobicContact CB-CB 4.04Å; N132-E135 VanDerWaalsContact CG-CB 3.45Å; N132-E135 VanDerWaalsContact ND2-CB 3.3Å; N132-E135 WeakPolarHBondContact ND2-CB 3.49Å; N132-E135 PolarHBondContact ND2-OE2 3.43Å; N132-E135 PolarHBondContact O-N 3.38Å; N132-E135 PolarHBondContact OD1-N 3.1Å; N132-A136 PolarHBondContact O-N 2.91Å | ||
| 133 | E | 96.4 | Very high | 96.8 | Very high | 114 Ų | 114 | 66.3 Ų | 66.3 | 53% | 0.533 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | -179.6 | 178.5 | 170 | -154.1 | 0 | 0 | 112.6 | W129 E135 A136 L137 | W129-E133 WeakPolarHBondContact O-CA 3Å; W129-E133 PolarHBondContact O-N 3.1Å; E133-E135 PolarHBondContact O-N 3.48Å; E133-A136 PolarHBondContact O-N 2.89Å; E133-L137 HydrophobicContact CG-CD1 3.82Å; E133-L137 HydrophobicContact CG-CG 4.19Å; E133-L137 WeakPolarHBondContact O-CB 3.47Å; E133-L137 VanDerWaalsContact O-CG 3.25Å; E133-L137 WeakPolarHBondContact O-CG 3.47Å; E133-L137 PolarHBondContact O-N 3.35Å |
| 134 | S | 97.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 64.3 Ų | 64.3 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63 | -43 | -179.9 | -168.3 | 0 | 0 | 0 | 0 | 112 | N132 A138 | N132-S134 PolarHBondContact O-N 3.16Å; N132-S134 PolarHBondContact OD1-N 3.07Å; S134-A138 WeakPolarHBondContact O-CB 3.46Å; S134-A138 PolarHBondContact O-N 3.3Å |
| 135 | E | 97.8 | Very high | 97.3 | Very high | 110 Ų | 110 | 62.3 Ų | 62.3 | 51% | 0.514 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 177.2 | -173.2 | 178.4 | -173.7 | 0 | 0 | 111.8 | H128 N132 E133 L137 A138 K139 | H128-E135 WeakPolarHBondContact NE2-CG 3.48Å; H128-E135 IonicContact NE2-OE2 2.81Å; N132-E135 HydrophobicContact CB-CB 4.04Å; N132-E135 VanDerWaalsContact CG-CB 3.45Å; N132-E135 VanDerWaalsContact ND2-CB 3.3Å; N132-E135 WeakPolarHBondContact ND2-CB 3.49Å; N132-E135 PolarHBondContact ND2-OE2 3.43Å; N132-E135 PolarHBondContact O-N 3.38Å; N132-E135 PolarHBondContact OD1-N 3.1Å; E133-E135 PolarHBondContact O-N 3.48Å; E135-L137 PolarHBondContact O-N 3.36Å; E135-A138 WeakPolarHBondContact O-CB 3.48Å; E135-A138 PolarHBondContact O-N 2.95Å; E135-K139 WeakPolarHBondContact O-CB 3.37Å; E135-K139 PolarHBondContact O-N 2.99Å |
| 136 | A | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.5 | -43.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y76 W129 N132 E133 K139 A140 | Y76-A136 HydrophobicContact CE1-CB 4.26Å; W129-A136 HydrophobicContact CB-CB 4.22Å; W129-A136 HydrophobicContact CD2-CB 3.75Å; W129-A136 HydrophobicContact CE3-CB 3.8Å; W129-A136 HydrophobicContact CG-CB 3.94Å; W129-A136 HydrophobicContact CZ3-CB 4.42Å; N132-A136 PolarHBondContact O-N 2.91Å; E133-A136 PolarHBondContact O-N 2.89Å; A136-K139 WeakPolarHBondContact O-CB 3.42Å; A136-K139 PolarHBondContact O-N 3.35Å; A136-A140 PolarHBondContact O-N 2.89Å |
| 137 | L | 97.5 | Very high | 97.5 | Very high | 44 Ų | 44 | 71.2 Ų | 71.2 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.4 | -39.2 | 173.8 | -72.8 | 170 | 0 | 0 | 0 | 111.9 | A46 W129 E133 E135 K139 A140 R141 | A46-L137 HydrophobicContact CB-CD2 3.86Å; W129-L137 HydrophobicContact CH2-CD2 4.41Å; W129-L137 HydrophobicContact CZ2-CD2 3.63Å; W129-L137 HydrophobicContact CZ2-CG 4.23Å; E133-L137 HydrophobicContact CG-CD1 3.82Å; E133-L137 HydrophobicContact CG-CG 4.19Å; E133-L137 WeakPolarHBondContact O-CB 3.47Å; E133-L137 VanDerWaalsContact O-CG 3.25Å; E133-L137 WeakPolarHBondContact O-CG 3.47Å; E133-L137 PolarHBondContact O-N 3.35Å; E135-L137 PolarHBondContact O-N 3.36Å; L137-K139 VanDerWaalsContact C-N 3.33Å; L137-A140 PolarHBondContact O-N 3.21Å; L137-R141 WeakPolarHBondContact O-CG 3.42Å; L137-R141 PolarHBondContact O-N 3.48Å |
| 138 | A | 98.2 | Very high | 97.5 | Very high | 48 Ų | 48 | 68.3 Ų | 68.3 | 40% | 0.397 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | S134 E135 R141 E142 | S134-A138 WeakPolarHBondContact O-CB 3.46Å; S134-A138 PolarHBondContact O-N 3.3Å; E135-A138 WeakPolarHBondContact O-CB 3.48Å; E135-A138 PolarHBondContact O-N 2.95Å; A138-R141 PolarHBondContact O-N 2.71Å; A138-E142 PolarHBondContact O-N 3.31Å |
| 139 | K | 98.2 | Very high | 97.3 | Very high | 70 Ų | 70 | 72.4 Ų | 72.4 | 30% | 0.304 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.7 | -40.6 | 175.1 | -163.5 | 74.6 | -166.1 | 161.6 | 0 | 112.1 | Y76 E135 A136 L137 E142 W143 | Y76-K139 HydrophobicContact CD1-CB 4.11Å; Y76-K139 HydrophobicContact CD1-CG 4.23Å; Y76-K139 HydrophobicContact CD2-CG 4.13Å; Y76-K139 HydrophobicContact CE1-CB 4.16Å; Y76-K139 HydrophobicContact CE1-CG 4.29Å; Y76-K139 HydrophobicContact CE2-CG 4.17Å; Y76-K139 HydrophobicContact CG-CG 4.17Å; E135-K139 WeakPolarHBondContact O-CB 3.37Å; E135-K139 PolarHBondContact O-N 2.99Å; A136-K139 WeakPolarHBondContact O-CB 3.42Å; A136-K139 PolarHBondContact O-N 3.35Å; L137-K139 VanDerWaalsContact C-N 3.33Å; K139-E142 WeakPolarHBondContact CD-OE2 3.32Å; K139-E142 WeakPolarHBondContact CE-OE2 3.49Å; K139-E142 VanDerWaalsContact NZ-CD 3.26Å; K139-E142 IonicContact NZ-OE1 2.74Å; K139-E142 PolarHBondContact NZ-OE1 3.21Å; K139-E142 IonicContact NZ-OE2 3.89Å; K139-E142 PolarHBondContact NZ-OE2 2.97Å; K139-E142 WeakPolarHBondContact O-CB 3.48Å; K139-E142 PolarHBondContact O-N 3.45Å; K139-W143 VanDerWaalsContact O-CD1 3.29Å; K139-W143 PolarHBondContact O-N 2.76Å |
| 140 | A | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | A46 Y47 Y76 W129 A136 L137 E142 W143 T144 | A46-A140 HydrophobicContact CB-CB 3.58Å; Y47-A140 HydrophobicContact CE1-CB 4.13Å; Y76-A140 HydrophobicContact CD1-CB 4.27Å; W129-A140 HydrophobicContact CH2-CB 4.09Å; A136-A140 PolarHBondContact O-N 2.89Å; L137-A140 PolarHBondContact O-N 3.21Å; A140-E142 PolarHBondContact O-N 3.19Å; A140-W143 PolarHBondContact O-N 3.18Å; A140-T144 PolarHBondContact O-N 2.8Å; A140-T144 PolarHBondContact O-OG1 3.36Å |
| 141 | R | 98.1 | Very high | 94.1 | Very high | 136 Ų | 136 | 83.4 Ų | 83.4 | 51% | 0.513 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 172.9 | -69.9 | -179.4 | -164.6 | 124.9 | 1.4 | 112.2 | A46 L137 A138 W143 T144 Q145 | A46-R141 HydrophobicContact CB-CG 3.87Å; A46-R141 WeakPolarHBondContact O-CA 3.24Å; A46-R141 WeakPolarHBondContact O-CG 3.38Å; L137-R141 WeakPolarHBondContact O-CG 3.42Å; L137-R141 PolarHBondContact O-N 3.48Å; A138-R141 PolarHBondContact O-N 2.71Å; R141-W143 VanDerWaalsContact C-N 3.33Å; R141-W143 PolarHBondContact O-N 3.43Å; R141-T144 WeakPolarHBondContact O-CB 3.25Å; R141-T144 PolarHBondContact O-N 2.85Å; R141-Q145 WeakPolarHBondContact O-CG 3.38Å; R141-Q145 PolarHBondContact O-N 3.47Å |
| 142 | E | 98 | Very high | 93.9 | Very high | 86 Ų | 86 | 79.6 Ų | 79.6 | 40% | 0.402 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -57.3 | -47.1 | 176.1 | -174.3 | -163.3 | 149.7 | 0 | 0 | 111.2 | A138 K139 A140 Q145 L146 | A138-E142 PolarHBondContact O-N 3.31Å; K139-E142 WeakPolarHBondContact CD-OE2 3.32Å; K139-E142 WeakPolarHBondContact CE-OE2 3.49Å; K139-E142 VanDerWaalsContact NZ-CD 3.26Å; K139-E142 IonicContact NZ-OE1 2.74Å; K139-E142 PolarHBondContact NZ-OE1 3.21Å; K139-E142 IonicContact NZ-OE2 3.89Å; K139-E142 PolarHBondContact NZ-OE2 2.97Å; K139-E142 WeakPolarHBondContact O-CB 3.48Å; K139-E142 PolarHBondContact O-N 3.45Å; A140-E142 PolarHBondContact O-N 3.19Å; E142-Q145 WeakPolarHBondContact O-CB 3.3Å; E142-Q145 PolarHBondContact O-N 3.24Å; E142-L146 HydrophobicContact CG-CD1 4.04Å; E142-L146 WeakPolarHBondContact O-CG 3.42Å; E142-L146 PolarHBondContact O-N 3.24Å |
| 143 | W | 98.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 80.3 Ų | 80.3 | 25% | 0.254 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.8 | -82.3 | 44.4 | 0 | 0 | 0 | 112.6 | K74 L75 Y76 K139 A140 R141 Q145 L146 Y147 | K74-W143 HydrophobicContact CB-CZ3 4.46Å; L75-W143 VanDerWaalsContact C-CE3 3.43Å; Y76-W143 HydrophobicContact CD2-CD2 4.37Å; Y76-W143 HydrophobicContact CD2-CH2 4.43Å; Y76-W143 HydrophobicContact CD2-CZ2 4.18Å; K139-W143 VanDerWaalsContact O-CD1 3.29Å; K139-W143 PolarHBondContact O-N 2.76Å; A140-W143 PolarHBondContact O-N 3.18Å; R141-W143 VanDerWaalsContact C-N 3.33Å; R141-W143 PolarHBondContact O-N 3.43Å; W143-Q145 VanDerWaalsContact C-N 3.29Å; W143-Q145 PolarHBondContact O-N 3.37Å; W143-L146 PolarHBondContact O-N 2.91Å; W143-Y147 HydrophobicContact CB-CD2 4.02Å; W143-Y147 HydrophobicContact CB-CE2 4.29Å; W143-Y147 HydrophobicContact CD2-CD2 4.08Å; W143-Y147 AromaticContact CD2-CE2 3.68Å; W143-Y147 HydrophobicContact CD2-CE2 3.68Å; W143-Y147 HydrophobicContact CE3-CD2 4Å; W143-Y147 AromaticContact CE3-CE2 3.83Å; W143-Y147 HydrophobicContact CE3-CE2 3.83Å; W143-Y147 HydrophobicContact CG-CD2 4.11Å; W143-Y147 AromaticContact CG-CE2 3.89Å; W143-Y147 HydrophobicContact CG-CE2 3.89Å; W143-Y147 HydrophobicContact CZ3-CE2 4.48Å; W143-Y147 WeakPolarHBondContact O-CB 3.37Å; W143-Y147 WeakPolarHBondContact O-CD2 3.36Å; W143-Y147 PolarHBondContact O-N 3.37Å |
| 144 | T | 98.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 78.4 Ų | 78.4 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.3 | -45.5 | 172.5 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | A46 Y47 F52 A140 R141 L146 A148 R149 | A46-T144 PolarHBondContact O-OG1 2.97Å; Y47-T144 WeakPolarHBondContact O-CG2 3.36Å; F52-T144 HydrophobicContact CZ-CG2 3.98Å; A140-T144 PolarHBondContact O-N 2.8Å; A140-T144 PolarHBondContact O-OG1 3.36Å; R141-T144 WeakPolarHBondContact O-CB 3.25Å; R141-T144 PolarHBondContact O-N 2.85Å; T144-L146 PolarHBondContact O-N 3.22Å; T144-A148 HydrophobicContact CG2-CB 4.3Å; T144-A148 CarbonylContact O-C 3.55Å; T144-A148 WeakPolarHBondContact O-CA 3.02Å; T144-A148 WeakPolarHBondContact O-CB 2.88Å; T144-A148 PolarHBondContact O-N 2.91Å; T144-R149 PolarHBondContact O-N 3.25Å |
| 145 | Q | 97.3 | Very high | 93.4 | Very high | 90 Ų | 90 | 77.8 Ų | 77.8 | 42% | 0.421 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.3 | -64.5 | -61.6 | -40.2 | 0 | 0 | 112.7 | R141 E142 W143 R149 | R141-Q145 WeakPolarHBondContact O-CG 3.38Å; R141-Q145 PolarHBondContact O-N 3.47Å; E142-Q145 WeakPolarHBondContact O-CB 3.3Å; E142-Q145 PolarHBondContact O-N 3.24Å; W143-Q145 VanDerWaalsContact C-N 3.29Å; W143-Q145 PolarHBondContact O-N 3.37Å; Q145-R149 VanDerWaalsContact OE1-CZ 3.22Å |
| 146 | L | 97.3 | Very high | 93.1 | Very high | 103 Ų | 103 | 75.8 Ų | 75.8 | 54% | 0.539 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -77 | -36.2 | -176.1 | -72.2 | 171.4 | 0 | 0 | 0 | 113.8 | E142 W143 T144 | E142-L146 HydrophobicContact CG-CD1 4.04Å; E142-L146 WeakPolarHBondContact O-CG 3.42Å; E142-L146 PolarHBondContact O-N 3.24Å; W143-L146 PolarHBondContact O-N 2.91Å; T144-L146 PolarHBondContact O-N 3.22Å |
| 147 | Y | 97.5 | Very high | 92.8 | Very high | 98 Ų | 98 | 80.9 Ų | 80.9 | 38% | 0.384 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -120.1 | -22.8 | -166.5 | -56.3 | -58.3 | 0 | 0 | 0 | 114.4 | T73 K74 W143 | T73-Y147 WeakPolarHBondContact CG2-O 3.36Å; K74-Y147 HydrophobicContact CB-CD1 4.45Å; K74-Y147 HydrophobicContact CB-CD2 3.96Å; K74-Y147 HydrophobicContact CB-CE2 4.47Å; K74-Y147 HydrophobicContact CB-CG 3.95Å; K74-Y147 HydrophobicContact CD-CD1 4.45Å; K74-Y147 HydrophobicContact CD-CE1 4.32Å; K74-Y147 WeakPolarHBondContact O-CB 3.19Å; W143-Y147 HydrophobicContact CB-CD2 4.02Å; W143-Y147 HydrophobicContact CB-CE2 4.29Å; W143-Y147 HydrophobicContact CD2-CD2 4.08Å; W143-Y147 AromaticContact CD2-CE2 3.68Å; W143-Y147 HydrophobicContact CD2-CE2 3.68Å; W143-Y147 HydrophobicContact CE3-CD2 4Å; W143-Y147 AromaticContact CE3-CE2 3.83Å; W143-Y147 HydrophobicContact CE3-CE2 3.83Å; W143-Y147 HydrophobicContact CG-CD2 4.11Å; W143-Y147 AromaticContact CG-CE2 3.89Å; W143-Y147 HydrophobicContact CG-CE2 3.89Å; W143-Y147 HydrophobicContact CZ3-CE2 4.48Å; W143-Y147 WeakPolarHBondContact O-CB 3.37Å; W143-Y147 WeakPolarHBondContact O-CD2 3.36Å; W143-Y147 PolarHBondContact O-N 3.37Å |
| 148 | A | 97.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -112.5 | 3.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G50 I51 F52 T73 T144 | G50-A148 CarbonylContact C-O 3.5Å; G50-A148 WeakPolarHBondContact CA-O 3.34Å; I51-A148 PolarHBondContact N-O 2.83Å; I51-A148 WeakPolarHBondContact O-CB 3.25Å; F52-A148 HydrophobicContact CD1-CB 3.88Å; F52-A148 HydrophobicContact CD2-CB 4.49Å; F52-A148 HydrophobicContact CE1-CB 3.51Å; F52-A148 HydrophobicContact CE2-CB 4.15Å; F52-A148 HydrophobicContact CG-CB 4.36Å; F52-A148 HydrophobicContact CZ-CB 3.66Å; T73-A148 HydrophobicContact CG2-CB 3.98Å; T144-A148 HydrophobicContact CG2-CB 4.3Å; T144-A148 CarbonylContact O-C 3.55Å; T144-A148 WeakPolarHBondContact O-CA 3.02Å; T144-A148 WeakPolarHBondContact O-CB 2.88Å; T144-A148 PolarHBondContact O-N 2.91Å |
| 149 | R | 91.9 | Very high | 92.1 | Very high | 125 Ų | 125 | 86.2 Ų | 86.2 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | trans | -97.8 | 107.4 | 168 | -76.4 | -164.9 | 161.4 | 179.1 | -14.3 | 109.8 | G49 T144 Q145 N151 | G49-R149 PolarHBondContact O-NE 2.81Å; T144-R149 PolarHBondContact O-N 3.25Å; Q145-R149 VanDerWaalsContact OE1-CZ 3.22Å; R149-N151 PolarHBondContact O-N 3.06Å | ||
| 150 | H | 73.9 | Confident | 91.5 | Very high | 114 Ų | 114 | 87.6 Ų | 87.6 | 53% | 0.528 | 40% | 0.396 | S | S | . | . | trans | -68.2 | 114.6 | 165.2 | -59.5 | -63 | 0 | 0 | 0 | 107.8 | D53 | D53-H150 IonicContact OD2-CE1 2.62Å; D53-H150 IonicContact OD2-NE2 3.01Å | ||
| 151 | N | 52.3 | Low | 90.9 | Very high | 230 Ų | 230 | 95.5 Ų | 95.5 | 100% | 1.23 | 43% | 0.432 | S | S | * | . | trans | -69.5 | 0 | 172.8 | -68.4 | -32.3 | 0 | 0 | 0 | 111.5 | R149 | R149-N151 PolarHBondContact O-N 3.06Š|
Retrieved 151 of 151 residues in 173.7 ms
(Link to these results)