| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 76.7 | Confident | 243 Ų | 243 | 107.1 Ų | 107.1 | 100% | 1.197 | 53% | 0.525 | S | S | * | . | 0 | 105.1 | 0 | -67.9 | 175.6 | -170.7 | 0 | 0 | 106.9 | S3 | M1-S3 PolarHBondContact O-N 3.03Š| |||
| 2 | T | 46.5 | Very low | 78.3 | Confident | 141 Ų | 141 | 98.2 Ų | 98.2 | 87% | 0.865 | 48% | 0.481 | S | S | * | . | trans | -62.8 | 119.2 | 174.1 | 27.7 | 0 | 0 | 0 | 0 | 108 | R4 | T2-R4 PolarHBondContact O-N 3.24Š| ||
| 3 | S | 54.9 | Low | 79.8 | Confident | 114 Ų | 114 | 90.6 Ų | 90.6 | 80% | 0.797 | 44% | 0.444 | S | S | * | . | trans | -53.9 | 111.4 | 172.4 | 171.4 | 0 | 0 | 0 | 0 | 108.2 | M1 K5 | M1-S3 PolarHBondContact O-N 3.03Å; S3-K5 PolarHBondContact O-N 3.09Å; S3-K5 VanDerWaalsContact O-N 3.09Å | ||
| 4 | R | 64 | Low | 80.9 | Confident | 233 Ų | 233 | 84.1 Ų | 84.1 | 88% | 0.879 | 41% | 0.412 | S | S | * | . | trans | -63.2 | 112.9 | 170.3 | -87 | -176.8 | 172.9 | 177.8 | -3.4 | 106.8 | T2 K6 | T2-R4 PolarHBondContact O-N 3.24Å; R4-K6 PolarHBondContact O-N 3.18Å | ||
| 5 | K | 75.8 | Confident | 81.8 | Confident | 141 Ų | 141 | 78.5 Ų | 78.5 | 61% | 0.613 | 39% | 0.385 | S | S | * | . | P | Polyproline II helix | trans | -54.9 | 123.4 | 175.4 | -168.8 | -178.1 | -179.2 | -170 | 0 | 108.3 | S3 V7 E181 | S3-K5 PolarHBondContact O-N 3.09Å; S3-K5 VanDerWaalsContact O-N 3.09Å; K5-V7 PolarHBondContact O-N 2.88Å; K5-E181 IonicContact NZ-OE1 2.69Å; K5-E181 PolarHBondContact NZ-OE1 3.42Å |
| 6 | K | 82.9 | Confident | 82.6 | Confident | 177 Ų | 177 | 75.8 Ų | 75.8 | 77% | 0.77 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -69.3 | 124.3 | 174 | -69.7 | -172.9 | 177.9 | -170.2 | 0 | 108.1 | R4 | R4-K6 PolarHBondContact O-N 3.18Š|
| 7 | V | 93.3 | Very high | 83.2 | Confident | 4 Ų | 4 | 74.2 Ų | 74.2 | 2% | 0.024 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.3 | 175.2 | -176.6 | 0 | 0 | 0 | 0 | 108.8 | K5 L9 V57 T58 L174 E177 | K5-V7 PolarHBondContact O-N 2.88Å; V7-L9 HydrophobicContact CG1-CD2 3.54Å; V7-L9 HydrophobicContact CG1-CG 4.03Å; V7-V57 HydrophobicContact CB-CB 4.3Å; V7-V57 HydrophobicContact CB-CG1 3.98Å; V7-V57 HydrophobicContact CG1-CG1 4.25Å; V7-T58 PolarHBondContact O-N 3.36Å; V7-L174 HydrophobicContact CG1-CD1 3.91Å; V7-E177 HydrophobicContact CG1-CG 4.32Å |
| 8 | L | 95.6 | Very high | 83.8 | Confident | 94 Ų | 94 | 71.9 Ų | 71.9 | 49% | 0.492 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 120.6 | 174.1 | -172.6 | 153.6 | 0 | 0 | 0 | 107.9 | T58 Q60 | L8-T58 CarbonylContact C-O 3.26Å; L8-T58 WeakPolarHBondContact CA-O 3.29Å; L8-Q60 HydrophobicContact CD2-CB 4.12Å |
| 9 | L | 97.3 | Very high | 84.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 113.6 | -179.3 | -57.9 | 179.9 | 0 | 0 | 0 | 109.7 | V7 V57 T58 M59 Q60 D82 A173 L174 E177 | V7-L9 HydrophobicContact CG1-CD2 3.54Å; V7-L9 HydrophobicContact CG1-CG 4.03Å; L9-V57 HydrophobicContact CD1-CB 4.01Å; L9-V57 HydrophobicContact CD1-CG1 4.42Å; L9-V57 HydrophobicContact CD1-CG2 3.65Å; L9-V57 HydrophobicContact CG-CB 4.35Å; L9-V57 HydrophobicContact CG-CG2 4.43Å; L9-T58 PolarHBondContact N-O 3.01Å; L9-M59 CarbonylContact O-C 3.46Å; L9-M59 WeakPolarHBondContact O-CA 3.46Å; L9-Q60 PolarHBondContact O-N 3.46Å; L9-D82 WeakPolarHBondContact CA-OD2 3.5Å; L9-A173 HydrophobicContact CB-CB 4.13Å; L9-A173 HydrophobicContact CD1-CB 4.08Å; L9-A173 HydrophobicContact CD2-CB 4.4Å; L9-A173 HydrophobicContact CG-CB 4.44Å; L9-L174 HydrophobicContact CD1-CB 3.98Å; L9-L174 HydrophobicContact CD2-CB 4.42Å; L9-L174 HydrophobicContact CD2-CD1 4.34Å; L9-E177 HydrophobicContact CD2-CB 3.77Å; L9-E177 HydrophobicContact CD2-CG 4.13Å |
| 10 | K | 96.6 | Very high | 85.1 | Confident | 31 Ų | 31 | 65.4 Ų | 65.4 | 14% | 0.135 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 113.2 | 179.4 | -177.4 | 171.1 | 174.9 | -173.6 | 0 | 110.5 | I12 F77 R79 D82 C83 | K10-I12 HydrophobicContact CG-CD1 4.25Å; K10-F77 WeakPolarHBondContact CE-O 3.24Å; K10-F77 PolarHBondContact NZ-O 2.75Å; K10-R79 PolarHBondContact NZ-O 3.36Å; K10-D82 PolarHBondContact N-OD2 3.22Å; K10-D82 PolarHBondContact O-N 3.47Å; K10-C83 PolarHBondContact O-N 2.83Å |
| 11 | V | 97.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.4 | -179.5 | 178 | 0 | 0 | 0 | 0 | 109.5 | M59 Q60 W62 C83 V85 I169 A173 | V11-M59 HydrophobicContact CG2-CE 3.77Å; V11-Q60 PolarHBondContact N-O 3.4Å; V11-W62 PolarHBondContact O-N 3.43Å; V11-C83 WeakPolarHBondContact CA-O 3.34Å; V11-C83 HydrophobicContact CG2-CB 4.42Å; V11-V85 HydrophobicContact CG1-CG2 3.64Å; V11-I169 HydrophobicContact CB-CG2 4.39Å; V11-I169 HydrophobicContact CG1-CG2 3.62Å; V11-I169 HydrophobicContact CG2-CG2 3.8Å; V11-A173 HydrophobicContact CG2-CB 4.44Å |
| 12 | I | 96.2 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 132.2 | 176.7 | -51.4 | -56.7 | 0 | 0 | 0 | 109.7 | K10 L14 W62 T64 Y78 A81 C83 C84 V85 F106 | K10-I12 HydrophobicContact CG-CD1 4.25Å; I12-L14 HydrophobicContact CG2-CD2 3.67Å; I12-L14 HydrophobicContact CG2-CG 3.94Å; I12-W62 HydrophobicContact CD1-CB 3.55Å; I12-W62 HydrophobicContact CD1-CD2 4.39Å; I12-W62 HydrophobicContact CD1-CG 3.62Å; I12-T64 HydrophobicContact CG2-CG2 4.06Å; I12-Y78 HydrophobicContact CG2-CD1 4Å; I12-Y78 HydrophobicContact CG2-CE1 4.15Å; I12-A81 HydrophobicContact CD1-CB 4.41Å; I12-A81 HydrophobicContact CG1-CB 3.62Å; I12-C83 PolarHBondContact N-O 2.97Å; I12-C84 CarbonylContact O-C 3.56Å; I12-C84 WeakPolarHBondContact O-CA 3.38Å; I12-V85 PolarHBondContact O-N 3.35Å; I12-F106 HydrophobicContact CB-CE2 4.38Å; I12-F106 HydrophobicContact CG1-CE2 4.25Å |
| 13 | I | 96.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 119.4 | 173.5 | -50.1 | -178.6 | 0 | 0 | 0 | 109.4 | K21 M25 I61 W62 T64 V85 V87 F166 | I13-K21 HydrophobicContact CG2-CB 3.77Å; I13-K21 HydrophobicContact CG2-CD 3.98Å; I13-K21 HydrophobicContact CG2-CG 3.78Å; I13-M25 HydrophobicContact CD1-CB 4.17Å; I13-I61 HydrophobicContact CD1-CG2 3.52Å; I13-I61 HydrophobicContact CG1-CG2 3.99Å; I13-W62 PolarHBondContact N-O 3.4Å; I13-T64 PolarHBondContact O-OG1 3.22Å; I13-V85 WeakPolarHBondContact CA-O 3.42Å; I13-V85 HydrophobicContact CB-CB 4.49Å; I13-V85 HydrophobicContact CG1-CB 4.23Å; I13-V85 HydrophobicContact CG1-CG2 4.47Å; I13-V85 HydrophobicContact CG2-CB 4.35Å; I13-V85 HydrophobicContact CG2-CG1 4.45Å; I13-V87 HydrophobicContact CG2-CG2 3.48Å; I13-V87 VanDerWaalsContact CG2-CG2 3.48Å; I13-F166 HydrophobicContact CD1-CE1 4.46Å; I13-F166 HydrophobicContact CD1-CZ 4.06Å |
| 14 | L | 95.3 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 163.5 | 178.8 | -57.7 | -175.9 | 0 | 0 | 0 | 111.7 | I12 K21 T64 Y78 V85 L86 V87 W102 F106 | I12-L14 HydrophobicContact CG2-CD2 3.67Å; I12-L14 HydrophobicContact CG2-CG 3.94Å; L14-K21 VanDerWaalsContact C-CD 3.49Å; L14-T64 HydrophobicContact CD2-CG2 3.92Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.27Å; L14-Y78 HydrophobicContact CD1-CE2 4.41Å; L14-Y78 HydrophobicContact CD2-CE1 3.82Å; L14-V85 PolarHBondContact N-O 3.44Å; L14-L86 HydrophobicContact CB-CD2 4.11Å; L14-V87 PolarHBondContact O-N 3.01Å; L14-W102 HydrophobicContact CB-CB 4.49Å; L14-W102 HydrophobicContact CB-CD2 4.32Å; L14-W102 HydrophobicContact CB-CE3 4.02Å; L14-W102 HydrophobicContact CD1-CE3 4.24Å; L14-W102 HydrophobicContact CD2-CE3 4.46Å; L14-W102 HydrophobicContact CD2-CZ3 4.46Å; L14-W102 HydrophobicContact CG-CE3 4.48Å; L14-F106 HydrophobicContact CD1-CB 3.79Å; L14-F106 HydrophobicContact CD1-CD2 4.03Å; L14-F106 HydrophobicContact CD1-CG 4.31Å |
| 15 | G | 95.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | 140.1 | 166.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K21 G66 V87 W102 | G15-K21 PolarHBondContact O-NZ 3.46Å; G15-G66 WeakPolarHBondContact O-CA 3.41Å; G15-V87 WeakPolarHBondContact CA-O 3.45Å; G15-W102 WeakPolarHBondContact O-CZ2 3.47Å | ||
| 16 | D | 94.3 | Very high | 95.4 | Very high | 34 Ų | 34 | 27.4 Ų | 27.4 | 18% | 0.182 | 16% | 0.155 | C | C | . | . | trans | -60.2 | 162.5 | -175.1 | -73 | 14.7 | 0 | 0 | 0 | 113.3 | G18 V19 K21 T95 T98 W102 | D16-G18 PolarHBondContact O-N 2.97Å; D16-V19 HydrophobicContact CB-CG1 3.81Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.35Å; D16-V19 PolarHBondContact O-N 3.39Å; D16-K21 PolarHBondContact O-NZ 3.44Å; D16-T95 HydrophobicContact CB-CG2 3.93Å; D16-T95 WeakPolarHBondContact OD2-CA 3.32Å; D16-T98 VanDerWaalsContact CG-OG1 3.23Å; D16-T98 WeakPolarHBondContact OD1-CB 3.43Å; D16-T98 PolarHBondContact OD1-OG1 2.73Å; D16-T98 PolarHBondContact OD2-OG1 3.24Å; D16-W102 PolarHBondContact OD1-NE1 2.98Å | ||
| 17 | S | 92.7 | Very high | 96.1 | Very high | 50 Ų | 50 | 19.8 Ų | 19.8 | 35% | 0.35 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 134.6 | 171.5 | -171.8 | 0 | 0 | 0 | 0 | 111 | V19 Y37 G66 | S17-V19 VanDerWaalsContact C-N 3.33Å; S17-V19 PolarHBondContact O-N 2.91Å; S17-Y37 PolarHBondContact OG-OH 3.08Å; S17-G66 PolarHBondContact N-O 2.77Å |
| 18 | G | 93.6 | Very high | 96.4 | Very high | 33 Ų | 33 | 19.6 Ų | 19.6 | 34% | 0.34 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | -1.1 | 175 | 0 | 0 | 0 | 0 | 0 | 116.5 | D16 G20 K126 | D16-G18 PolarHBondContact O-N 2.97Å; G18-G20 PolarHBondContact O-N 2.96Å; G18-K126 VanDerWaalsContact O-CE 3.27Å; G18-K126 WeakPolarHBondContact O-CE 3.31Å; G18-K126 PolarHBondContact O-NZ 3.23Å |
| 19 | V | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.006 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -67.9 | -18.9 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 113.7 | D16 S17 K21 V87 D89 T95 N125 K126 | D16-V19 HydrophobicContact CB-CG1 3.81Å; D16-V19 VanDerWaalsContact O-CG2 3.23Å; D16-V19 WeakPolarHBondContact O-CG2 3.35Å; D16-V19 PolarHBondContact O-N 3.39Å; S17-V19 VanDerWaalsContact C-N 3.33Å; S17-V19 PolarHBondContact O-N 2.91Å; V19-K21 HydrophobicContact CG2-CD 4.4Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; V19-V87 HydrophobicContact CB-CG1 4.25Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.75Å; V19-D89 HydrophobicContact CB-CB 4.39Å; V19-D89 HydrophobicContact CG1-CB 4.26Å; V19-T95 HydrophobicContact CG1-CG2 3.75Å; V19-N125 PolarHBondContact O-ND2 3.43Å; V19-K126 WeakPolarHBondContact O-CE 3.26Å |
| 20 | G | 96.9 | Very high | 96.4 | Very high | 12 Ų | 12 | 20 Ų | 20 | 12% | 0.124 | 12% | 0.124 | C | C | . | . | S | Bend | trans | 106.8 | 23 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | G18 S23 L24 | G18-G20 PolarHBondContact O-N 2.96Å; G20-S23 WeakPolarHBondContact O-CB 3.43Å; G20-S23 PolarHBondContact O-N 3.01Å; G20-L24 WeakPolarHBondContact O-CG 3.3Å; G20-L24 PolarHBondContact O-N 3.48Å |
| 21 | K | 96.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 4% | 0.043 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.7 | -56.3 | 175.9 | -57 | -171.9 | -61.2 | -76.3 | 0 | 112.9 | I13 L14 G15 D16 V19 S23 L24 M25 D63 T64 V87 | I13-K21 HydrophobicContact CG2-CB 3.77Å; I13-K21 HydrophobicContact CG2-CD 3.98Å; I13-K21 HydrophobicContact CG2-CG 3.78Å; L14-K21 VanDerWaalsContact C-CD 3.49Å; G15-K21 PolarHBondContact O-NZ 3.46Å; D16-K21 PolarHBondContact O-NZ 3.44Å; V19-K21 HydrophobicContact CG2-CD 4.4Å; V19-K21 HydrophobicContact CG2-CG 3.68Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.08Å; K21-L24 PolarHBondContact O-N 2.62Å; K21-L24 VanDerWaalsContact O-N 3.16Å; K21-M25 PolarHBondContact O-N 3.47Å; K21-D63 WeakPolarHBondContact CB-OD1 3.27Å; K21-T64 WeakPolarHBondContact CE-O 3.41Å; K21-V87 HydrophobicContact CG-CB 4.16Å; K21-V87 HydrophobicContact CG-CG2 4.25Å |
| 22 | T | 95.9 | Very high | 96.2 | Very high | 45 Ų | 45 | 31.2 Ų | 31.2 | 28% | 0.276 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58 | -38.1 | 176.2 | -39.9 | 0 | 0 | 0 | 0 | 112.6 | N26 T40 D63 | T22-N26 WeakPolarHBondContact O-CB 3.38Å; T22-N26 PolarHBondContact O-N 3.31Å; T22-N26 PolarHBondContact O-ND2 2.92Å; T22-T40 PolarHBondContact OG1-OG1 2.92Å; T22-T40 VanDerWaalsContact OG1-OG1 3.04Å; T22-D63 WeakPolarHBondContact CA-OD2 3.14Å; T22-D63 VanDerWaalsContact CB-OD2 3.26Å; T22-D63 WeakPolarHBondContact CB-OD2 3.47Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.47Å; T22-D63 PolarHBondContact N-OD1 3.14Å; T22-D63 PolarHBondContact OG1-OD1 3.35Å; T22-D63 PolarHBondContact OG1-OD2 2.94Å |
| 23 | S | 97.4 | Very high | 96.1 | Very high | 33 Ų | 33 | 34.9 Ų | 34.9 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -69.4 | -40.9 | 178.3 | -54.8 | 0 | 0 | 0 | 0 | 111.8 | G20 K21 Q27 | G20-S23 WeakPolarHBondContact O-CB 3.43Å; G20-S23 PolarHBondContact O-N 3.01Å; K21-S23 VanDerWaalsContact C-N 3.27Å; K21-S23 PolarHBondContact O-N 3.08Å; S23-Q27 WeakPolarHBondContact O-CB 3.46Å; S23-Q27 PolarHBondContact O-N 2.99Å |
| 24 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64 | -46.9 | 175.3 | -75.3 | 165.5 | 0 | 0 | 0 | 111.1 | G20 K21 Q27 Y28 V87 L123 N125 A156 V162 F166 | G20-L24 WeakPolarHBondContact O-CG 3.3Å; G20-L24 PolarHBondContact O-N 3.48Å; K21-L24 PolarHBondContact O-N 2.62Å; K21-L24 VanDerWaalsContact O-N 3.16Å; L24-Q27 PolarHBondContact O-N 3.45Å; L24-Y28 WeakPolarHBondContact O-CB 3.33Å; L24-Y28 PolarHBondContact O-N 3.13Å; L24-V87 HydrophobicContact CD1-CG1 3.73Å; L24-V87 HydrophobicContact CD1-CG2 4.13Å; L24-L123 HydrophobicContact CD1-CD1 3.89Å; L24-N125 HydrophobicContact CD1-CB 4.24Å; L24-A156 HydrophobicContact CD2-CB 3.89Å; L24-A156 HydrophobicContact CG-CB 4.04Å; L24-V162 HydrophobicContact CD2-CG2 4.01Å; L24-F166 HydrophobicContact CB-CE2 4.47Å |
| 25 | M | 97.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 44.6 Ų | 44.6 | 2% | 0.02 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.1 | -50.8 | 176.1 | -176.9 | -178.3 | 66.4 | 0 | 0 | 111.1 | I13 K21 Q27 Y28 V29 L46 I61 D63 | I13-M25 HydrophobicContact CD1-CB 4.17Å; K21-M25 PolarHBondContact O-N 3.47Å; M25-Q27 PolarHBondContact O-N 3.47Å; M25-Y28 PolarHBondContact O-N 2.98Å; M25-V29 WeakPolarHBondContact O-CB 3.42Å; M25-V29 WeakPolarHBondContact O-CG2 3.42Å; M25-V29 PolarHBondContact O-N 3.35Å; M25-L46 HydrophobicContact CE-CD1 3.98Å; M25-L46 HydrophobicContact CE-CG 3.94Å; M25-L46 HydrophobicContact CG-CB 4.35Å; M25-L46 HydrophobicContact CG-CD1 4.1Å; M25-L46 HydrophobicContact CG-CG 4.41Å; M25-L46 HydrophobicContact SD-CB 4.12Å; M25-L46 HydrophobicContact SD-CD1 4.28Å; M25-L46 HydrophobicContact SD-CG 4.03Å; M25-I61 HydrophobicContact CB-CG2 4.44Å; M25-I61 HydrophobicContact CG-CB 4.32Å; M25-I61 HydrophobicContact CG-CG2 3.84Å; M25-I61 HydrophobicContact SD-CB 4.42Å; M25-I61 HydrophobicContact SD-CG2 4.13Å; M25-I61 VanDerWaalsContact SD-O 3.35Å; M25-D63 HydrophobicContact CE-CB 3.53Å; M25-D63 HydrophobicContact SD-CB 3.71Å |
| 26 | N | 96.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.9 | -37 | 178.9 | -82.7 | -63.5 | 0 | 0 | 0 | 113.1 | T22 Y28 N30 K31 K32 | T22-N26 WeakPolarHBondContact O-CB 3.38Å; T22-N26 PolarHBondContact O-N 3.31Å; T22-N26 PolarHBondContact O-ND2 2.92Å; N26-Y28 VanDerWaalsContact C-N 3.34Å; N26-N30 CarbonylContact O-C 3.6Å; N26-N30 WeakPolarHBondContact O-CA 3.27Å; N26-N30 WeakPolarHBondContact O-CB 3.44Å; N26-N30 PolarHBondContact O-N 3.38Å; N26-N30 PolarHBondContact OD1-ND2 3.02Å; N26-N30 VanDerWaalsContact OD1-ND2 3.08Å; N26-K31 PolarHBondContact O-N 3.48Å; N26-K32 CarbonylContact C-O 3.56Å |
| 27 | Q | 97.9 | Very high | 94.1 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 177 | -178.3 | 65.1 | -57 | 0 | 0 | 110.9 | S23 L24 M25 K31 K32 A156 A159 V162 | S23-Q27 WeakPolarHBondContact O-CB 3.46Å; S23-Q27 PolarHBondContact O-N 2.99Å; L24-Q27 PolarHBondContact O-N 3.45Å; M25-Q27 PolarHBondContact O-N 3.47Å; Q27-K31 VanDerWaalsContact O-CA 3.3Å; Q27-K31 WeakPolarHBondContact O-CA 3.37Å; Q27-K31 WeakPolarHBondContact O-CD 3.46Å; Q27-K31 PolarHBondContact O-N 3.09Å; Q27-K31 VanDerWaalsContact OE1-CA 3.29Å; Q27-K32 PolarHBondContact N-O 3.49Å; Q27-A156 VanDerWaalsContact CG-O 3.31Å; Q27-A156 WeakPolarHBondContact CG-O 3.35Å; Q27-A156 PolarHBondContact NE2-O 3.19Å; Q27-A159 HydrophobicContact CG-CB 4.26Å; Q27-V162 HydrophobicContact CG-CG1 4.37Å; Q27-V162 HydrophobicContact CG-CG2 4.27Å |
| 28 | Y | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.5 | -46.6 | 178.1 | 178.7 | -117.5 | 0 | 0 | 0 | 112.6 | L24 M25 N26 K48 M59 I61 V162 E163 F166 | L24-Y28 WeakPolarHBondContact O-CB 3.33Å; L24-Y28 PolarHBondContact O-N 3.13Å; M25-Y28 PolarHBondContact O-N 2.98Å; N26-Y28 VanDerWaalsContact C-N 3.34Å; Y28-K48 HydrophobicContact CD1-CD 3.82Å; Y28-K48 HydrophobicContact CE1-CB 4.46Å; Y28-K48 HydrophobicContact CE1-CD 3.37Å; Y28-K48 HydrophobicContact CE1-CG 4.5Å; Y28-K48 HydrophobicContact CE2-CD 4.2Å; Y28-K48 HydrophobicContact CG-CD 4.42Å; Y28-K48 PolarHBondContact O-NZ 3.49Å; Y28-M59 HydrophobicContact CE1-SD 4.11Å; Y28-I61 HydrophobicContact CD1-CD1 3.55Å; Y28-I61 HydrophobicContact CE1-CD1 3.71Å; Y28-V162 HydrophobicContact CD2-CG1 4.45Å; Y28-E163 WeakPolarHBondContact CE2-OE1 3.26Å; Y28-F166 HydrophobicContact CD1-CB 4.02Å; Y28-F166 AromaticContact CD1-CD1 3.42Å; Y28-F166 HydrophobicContact CD1-CD1 3.42Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.42Å; Y28-F166 HydrophobicContact CD1-CD2 4.13Å; Y28-F166 AromaticContact CD1-CE1 3.84Å; Y28-F166 HydrophobicContact CD1-CE1 3.84Å; Y28-F166 HydrophobicContact CD1-CE2 4.47Å; Y28-F166 AromaticContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CZ 4.34Å; Y28-F166 HydrophobicContact CD2-CB 3.53Å; Y28-F166 HydrophobicContact CD2-CD1 4.39Å; Y28-F166 AromaticContact CD2-CD2 3.88Å; Y28-F166 HydrophobicContact CD2-CD2 3.88Å; Y28-F166 AromaticContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CE1-CB 3.76Å; Y28-F166 AromaticContact CE1-CD1 3.56Å; Y28-F166 HydrophobicContact CE1-CD1 3.56Å; Y28-F166 HydrophobicContact CE1-CE1 4.34Å; Y28-F166 AromaticContact CE1-CG 3.78Å; Y28-F166 HydrophobicContact CE1-CG 3.78Å; Y28-F166 HydrophobicContact CE2-CB 3.27Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.9Å; Y28-F166 AromaticContact CG-CD1 3.85Å; Y28-F166 HydrophobicContact CG-CD1 3.85Å; Y28-F166 AromaticContact CG-CD2 3.66Å; Y28-F166 HydrophobicContact CG-CD2 3.66Å; Y28-F166 HydrophobicContact CG-CE1 4.28Å; Y28-F166 HydrophobicContact CG-CE2 4.1Å; Y28-F166 AromaticContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CZ 4.39Å; Y28-F166 AromaticContact CZ-CG 3.93Å |
| 29 | V | 97.3 | Very high | 92.9 | Very high | 30 Ų | 30 | 62.3 Ų | 62.3 | 18% | 0.182 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -81.8 | -51.2 | -174.3 | -179 | 0 | 0 | 0 | 0 | 112 | M25 L46 K48 I61 | M25-V29 WeakPolarHBondContact O-CB 3.42Å; M25-V29 WeakPolarHBondContact O-CG2 3.42Å; M25-V29 PolarHBondContact O-N 3.35Å; V29-L46 HydrophobicContact CB-CB 4.46Å; V29-L46 HydrophobicContact CB-CD1 4.03Å; V29-L46 HydrophobicContact CG1-CB 4.2Å; V29-L46 HydrophobicContact CG1-CD1 4.12Å; V29-L46 HydrophobicContact CG2-CB 4.03Å; V29-L46 HydrophobicContact CG2-CD1 4.26Å; V29-K48 HydrophobicContact CG2-CB 4.24Å; V29-I61 HydrophobicContact CG2-CD1 3.89Å |
| 30 | N | 96.4 | Very high | 92 | Very high | 72 Ų | 72 | 63.6 Ų | 63.6 | 39% | 0.385 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -103.1 | -5.1 | -168.7 | -64.4 | -40.5 | 0 | 0 | 0 | 113.7 | N26 K32 | N26-N30 CarbonylContact O-C 3.6Å; N26-N30 WeakPolarHBondContact O-CA 3.27Å; N26-N30 WeakPolarHBondContact O-CB 3.44Å; N26-N30 PolarHBondContact O-N 3.38Å; N26-N30 PolarHBondContact OD1-ND2 3.02Å; N26-N30 VanDerWaalsContact OD1-ND2 3.08Å; N30-K32 HydrophobicContact CB-CB 4.2Å; N30-K32 HydrophobicContact CB-CD 4.24Å; N30-K32 HydrophobicContact CB-CG 4.33Å; N30-K32 WeakPolarHBondContact O-CG 3.49Å; N30-K32 PolarHBondContact O-N 2.94Å |
| 31 | K | 96.6 | Very high | 91.1 | Very high | 123 Ų | 123 | 69.4 Ų | 69.4 | 54% | 0.535 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 52.4 | 37.9 | -172.3 | -55.4 | -67.4 | 169.6 | -172.6 | 0 | 111.9 | N26 Q27 E163 | N26-K31 PolarHBondContact O-N 3.48Å; Q27-K31 VanDerWaalsContact O-CA 3.3Å; Q27-K31 WeakPolarHBondContact O-CA 3.37Å; Q27-K31 WeakPolarHBondContact O-CD 3.46Å; Q27-K31 PolarHBondContact O-N 3.09Å; Q27-K31 VanDerWaalsContact OE1-CA 3.29Å; K31-E163 IonicContact NZ-OE2 3.33Å; K31-E163 PolarHBondContact NZ-OE2 2.83Å |
| 32 | K | 93.9 | Very high | 90.2 | Very high | 144 Ų | 144 | 69.5 Ų | 69.5 | 63% | 0.626 | 35% | 0.352 | S | S | * | . | trans | -126.1 | 139.9 | -176.4 | -76.6 | 176.2 | -173.7 | 177.9 | 0 | 111 | N26 Q27 N30 | N26-K32 CarbonylContact C-O 3.56Å; Q27-K32 PolarHBondContact N-O 3.49Å; N30-K32 HydrophobicContact CB-CB 4.2Å; N30-K32 HydrophobicContact CB-CD 4.24Å; N30-K32 HydrophobicContact CB-CG 4.33Å; N30-K32 WeakPolarHBondContact O-CG 3.49Å; N30-K32 PolarHBondContact O-N 2.94Å | ||
| 33 | F | 94.6 | Very high | 89.5 | Confident | 77 Ų | 77 | 68.6 Ų | 68.6 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | trans | -129.2 | 144.9 | 171 | 177.3 | -97.6 | 0 | 0 | 0 | 109.9 | N35 A156 K157 | F33-N35 VanDerWaalsContact CE1-OD1 3.26Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.43Å; F33-A156 HydrophobicContact CD2-CB 4.34Å; F33-A156 HydrophobicContact CE2-CB 4.5Å; F33-K157 HydrophobicContact CD1-CB 4.29Å; F33-K157 HydrophobicContact CD1-CG 4.04Å; F33-K157 HydrophobicContact CD2-CB 4.29Å; F33-K157 HydrophobicContact CE1-CB 3.96Å; F33-K157 HydrophobicContact CE1-CD 4.45Å; F33-K157 HydrophobicContact CE1-CG 3.67Å; F33-K157 HydrophobicContact CE2-CB 3.97Å; F33-K157 HydrophobicContact CG-CB 4.44Å; F33-K157 HydrophobicContact CZ-CB 3.8Å; F33-K157 HydrophobicContact CZ-CG 3.99Å | ||
| 34 | S | 91.1 | Very high | 89 | Confident | 67 Ų | 67 | 71.6 Ų | 71.6 | 47% | 0.469 | 36% | 0.363 | S | S | . | . | trans | -132 | 133.5 | 175.6 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | Q36 | S34-Q36 PolarHBondContact O-N 3.49Å; S34-Q36 PolarHBondContact OG-N 3.42Å; S34-Q36 VanDerWaalsContact OG-N 3.16Å | ||
| 35 | N | 85.5 | Confident | 88.6 | Confident | 137 Ų | 137 | 75.6 Ų | 75.6 | 73% | 0.733 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -74.4 | -15.9 | 172.2 | -71.8 | -51.6 | 0 | 0 | 0 | 112.7 | F33 Y37 | F33-N35 VanDerWaalsContact CE1-OD1 3.26Å; F33-N35 WeakPolarHBondContact CE1-OD1 3.43Å; N35-Y37 PolarHBondContact O-N 3.42Å |
| 36 | Q | 84.4 | Confident | 88.5 | Confident | 144 Ų | 144 | 77.4 Ų | 77.4 | 67% | 0.673 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -75.4 | 111.5 | 178.9 | -67.7 | -178.6 | -0 | 0 | 0 | 109.7 | S34 K38 | S34-Q36 PolarHBondContact O-N 3.49Å; S34-Q36 PolarHBondContact OG-N 3.42Å; S34-Q36 VanDerWaalsContact OG-N 3.16Å; Q36-K38 PolarHBondContact O-N 3.34Å |
| 37 | Y | 78.6 | Confident | 88.5 | Confident | 144 Ų | 144 | 78.9 Ų | 78.9 | 57% | 0.565 | 40% | 0.401 | S | S | * | . | trans | -67.9 | 122.5 | 170.9 | 178.1 | -104.9 | 0 | 0 | 0 | 110.1 | S17 N35 A39 | S17-Y37 PolarHBondContact OG-OH 3.08Å; N35-Y37 PolarHBondContact O-N 3.42Å; Y37-A39 HydrophobicContact CE1-CB 4.09Å | ||
| 38 | K | 80.3 | Confident | 88.4 | Confident | 158 Ų | 158 | 80 Ų | 80 | 69% | 0.687 | 41% | 0.405 | S | S | * | . | trans | -123.6 | 122.4 | 166.5 | -67 | -173.3 | 179 | -177 | 0 | 107.2 | Q36 T40 | Q36-K38 PolarHBondContact O-N 3.34Å; K38-T40 PolarHBondContact O-N 3.43Å | ||
| 39 | A | 80.9 | Confident | 88.4 | Confident | 42 Ų | 42 | 85.7 Ų | 85.7 | 35% | 0.347 | 43% | 0.432 | S | S | . | . | trans | -67.2 | 128.9 | 177 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y37 | Y37-A39 HydrophobicContact CE1-CB 4.09Š| ||
| 40 | T | 77.6 | Confident | 88.3 | Confident | 29 Ų | 29 | 84.8 Ų | 84.8 | 18% | 0.178 | 43% | 0.426 | C | S | . | . | trans | -68.3 | 130.2 | 170.7 | -50.9 | 0 | 0 | 0 | 0 | 109.2 | T22 K38 D63 A65 | T22-T40 PolarHBondContact OG1-OG1 2.92Å; T22-T40 VanDerWaalsContact OG1-OG1 3.04Å; K38-T40 PolarHBondContact O-N 3.43Å; T40-D63 PolarHBondContact OG1-OD2 2.88Å; T40-D63 VanDerWaalsContact OG1-OD2 3.07Å; T40-A65 VanDerWaalsContact O-CB 3.25Å; T40-A65 WeakPolarHBondContact O-CB 3.35Å | ||
| 41 | I | 76.9 | Confident | 88.2 | Confident | 133 Ų | 133 | 86.1 Ų | 86.1 | 68% | 0.682 | 43% | 0.431 | S | S | * | . | trans | -105.8 | 120.7 | 174.9 | -60.1 | 174.8 | 0 | 0 | 0 | 107.2 | ||||
| 42 | G | 77.4 | Confident | 88.1 | Confident | 13 Ų | 13 | 80.3 Ų | 80.3 | 13% | 0.134 | 41% | 0.406 | C | S | . | . | S | Bend | trans | 70.6 | -127.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A65 | G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.87Å |
| 43 | A | 82.1 | Confident | 87.8 | Confident | 26 Ų | 26 | 78.6 Ų | 78.6 | 22% | 0.215 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 142.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | W62 D63 T64 F77 | A43-W62 HydrophobicContact CB-CE3 4.27Å; A43-D63 VanDerWaalsContact CA-O 3.3Å; A43-D63 WeakPolarHBondContact CA-O 3.3Å; A43-T64 HydrophobicContact CB-CG2 4.44Å; A43-F77 HydrophobicContact CB-CD2 3.55Å; A43-F77 HydrophobicContact CB-CE2 3.72Å; A43-F77 HydrophobicContact CB-CG 4.08Å; A43-F77 HydrophobicContact CB-CZ 4.38Å |
| 44 | D | 85.9 | Confident | 87.5 | Confident | 96 Ų | 96 | 82.3 Ų | 82.3 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 158.9 | 172.6 | -165.3 | 8 | 0 | 0 | 0 | 108.6 | W62 D63 | D44-W62 CarbonylContact O-C 3.57Å; D44-W62 WeakPolarHBondContact O-CA 3.24Å; D44-D63 PolarHBondContact N-O 3.46Å; D44-D63 PolarHBondContact O-N 2.69Å |
| 45 | F | 90.8 | Very high | 87.5 | Confident | 83 Ų | 83 | 83.4 Ų | 83.4 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 146.8 | 176.8 | 72.6 | -93.9 | 0 | 0 | 0 | 112.8 | T47 Q60 I61 W62 | F45-T47 HydrophobicContact CD2-CG2 4.24Å; F45-T47 HydrophobicContact CE2-CG2 4.17Å; F45-Q60 HydrophobicContact CB-CG 4.13Å; F45-Q60 HydrophobicContact CD2-CG 3.43Å; F45-Q60 VanDerWaalsContact CD2-CG 3.43Å; F45-Q60 HydrophobicContact CE2-CG 4.01Å; F45-Q60 HydrophobicContact CG-CG 3.86Å; F45-I61 CarbonylContact C-O 3.45Å; F45-I61 WeakPolarHBondContact CA-O 3.41Å; F45-I61 WeakPolarHBondContact CB-O 3.36Å; F45-W62 HydrophobicContact CB-CB 4.49Å; F45-W62 HydrophobicContact CB-CD2 3.84Å; F45-W62 HydrophobicContact CB-CE3 4.21Å; F45-W62 HydrophobicContact CB-CG 3.95Å; F45-W62 HydrophobicContact CD1-CD2 4.33Å; F45-W62 HydrophobicContact CD1-CE3 4.23Å; F45-W62 AromaticContact CD1-CH2 3.77Å; F45-W62 HydrophobicContact CD1-CH2 3.77Å; F45-W62 AromaticContact CD1-CZ2 3.86Å; F45-W62 HydrophobicContact CD1-CZ2 3.86Å; F45-W62 AromaticContact CD1-CZ3 3.95Å; F45-W62 HydrophobicContact CD1-CZ3 3.95Å; F45-W62 HydrophobicContact CE1-CH2 4.19Å; F45-W62 HydrophobicContact CE1-CZ2 4.33Å; F45-W62 HydrophobicContact CG-CD2 4.39Å; F45-W62 HydrophobicContact CG-CZ2 4.36Å |
| 46 | L | 95.3 | Very high | 88 | Confident | 42 Ų | 42 | 81.5 Ų | 81.5 | 22% | 0.22 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 151.8 | 168.1 | -66.4 | -177.4 | 0 | 0 | 0 | 110.2 | M25 V29 I61 | M25-L46 HydrophobicContact CE-CD1 3.98Å; M25-L46 HydrophobicContact CE-CG 3.94Å; M25-L46 HydrophobicContact CG-CB 4.35Å; M25-L46 HydrophobicContact CG-CD1 4.1Å; M25-L46 HydrophobicContact CG-CG 4.41Å; M25-L46 HydrophobicContact SD-CB 4.12Å; M25-L46 HydrophobicContact SD-CD1 4.28Å; M25-L46 HydrophobicContact SD-CG 4.03Å; V29-L46 HydrophobicContact CB-CB 4.46Å; V29-L46 HydrophobicContact CB-CD1 4.03Å; V29-L46 HydrophobicContact CG1-CB 4.2Å; V29-L46 HydrophobicContact CG1-CD1 4.12Å; V29-L46 HydrophobicContact CG2-CB 4.03Å; V29-L46 HydrophobicContact CG2-CD1 4.26Å; L46-I61 PolarHBondContact N-O 3.3Å; L46-I61 PolarHBondContact O-N 3.36Å |
| 47 | T | 96.9 | Very high | 88.5 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 49% | 0.491 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 144.1 | 174.1 | 52.9 | 0 | 0 | 0 | 0 | 111.1 | F45 M59 Q60 | F45-T47 HydrophobicContact CD2-CG2 4.24Å; F45-T47 HydrophobicContact CE2-CG2 4.17Å; T47-M59 CarbonylContact C-O 3.59Å; T47-M59 VanDerWaalsContact CA-O 3.22Å; T47-M59 WeakPolarHBondContact CA-O 3.27Å; T47-Q60 HydrophobicContact CG2-CG 4.33Å |
| 48 | K | 96.7 | Very high | 89.4 | Confident | 41 Ų | 41 | 69.3 Ų | 69.3 | 18% | 0.178 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 129.9 | 172.4 | -166.5 | -173.3 | 179.8 | -177.7 | 0 | 109.7 | Y28 V29 M59 E163 | Y28-K48 HydrophobicContact CD1-CD 3.82Å; Y28-K48 HydrophobicContact CE1-CB 4.46Å; Y28-K48 HydrophobicContact CE1-CD 3.37Å; Y28-K48 HydrophobicContact CE1-CG 4.5Å; Y28-K48 HydrophobicContact CE2-CD 4.2Å; Y28-K48 HydrophobicContact CG-CD 4.42Å; Y28-K48 PolarHBondContact O-NZ 3.49Å; V29-K48 HydrophobicContact CG2-CB 4.24Å; K48-M59 PolarHBondContact N-O 3.06Å; K48-M59 PolarHBondContact O-N 3.24Å; K48-E163 IonicContact NZ-OE1 3.06Å; K48-E163 PolarHBondContact NZ-OE1 2.84Å; K48-E163 IonicContact NZ-OE2 3.07Å |
| 49 | E | 96.9 | Very high | 90.2 | Very high | 119 Ų | 119 | 61.8 Ų | 61.8 | 56% | 0.556 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 133.8 | 167.8 | -66.7 | -170.6 | 161.5 | 0 | 0 | 109.6 | L56 V57 | E49-L56 HydrophobicContact CB-CD1 4.2Å; E49-V57 WeakPolarHBondContact CA-O 3.43Å |
| 50 | V | 95.5 | Very high | 91 | Very high | 10 Ų | 10 | 61.2 Ų | 61.2 | 6% | 0.061 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.4 | -179.9 | 65.2 | 0 | 0 | 0 | 0 | 109.6 | V52 V57 M59 A170 | V50-V52 HydrophobicContact CG1-CG2 3.93Å; V50-V52 HydrophobicContact CG2-CG2 4.35Å; V50-V57 HydrophobicContact CG1-CG2 3.43Å; V50-V57 VanDerWaalsContact CG1-CG2 3.43Å; V50-V57 PolarHBondContact N-O 3.28Å; V50-V57 PolarHBondContact O-N 3.3Å; V50-M59 HydrophobicContact CB-SD 4.45Å; V50-M59 HydrophobicContact CG1-CG 3.69Å; V50-M59 HydrophobicContact CG1-SD 3.67Å; V50-A170 HydrophobicContact CG1-CB 4.12Å |
| 51 | M | 94.7 | Very high | 92 | Very high | 100 Ų | 100 | 59.9 Ų | 59.9 | 49% | 0.493 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120 | 170.4 | -72.4 | -65.3 | -63.9 | 0 | 0 | 108.7 | L56 | M51-L56 HydrophobicContact CG-CD1 4.2Å; M51-L56 HydrophobicContact SD-CB 3.68Å; M51-L56 HydrophobicContact SD-CD1 3.68Å; M51-L56 HydrophobicContact SD-CG 4.28Å |
| 52 | V | 93.8 | Very high | 92.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 115.3 | 176.8 | -179.4 | 0 | 0 | 0 | 0 | 107.5 | V50 D54 R55 V57 A170 R171 L174 | V50-V52 HydrophobicContact CG1-CG2 3.93Å; V50-V52 HydrophobicContact CG2-CG2 4.35Å; V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.05Å; V52-R55 PolarHBondContact N-O 2.88Å; V52-R55 WeakPolarHBondContact O-CA 3.22Å; V52-R55 WeakPolarHBondContact O-CB 3.39Å; V52-R55 PolarHBondContact O-N 3.39Å; V52-V57 HydrophobicContact CG2-CG2 3.91Å; V52-A170 HydrophobicContact CG2-CB 3.54Å; V52-R171 HydrophobicContact CG1-CB 3.99Å; V52-R171 HydrophobicContact CG1-CG 4.3Å; V52-L174 HydrophobicContact CB-CD2 4.17Å; V52-L174 HydrophobicContact CG1-CD2 3.9Å |
| 53 | D | 88.5 | Confident | 93.4 | Very high | 109 Ų | 109 | 54.3 Ų | 54.3 | 58% | 0.583 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.2 | 50.8 | 178.1 | -51 | -29.3 | 0 | 0 | 0 | 112.2 | R55 R171 | D53-R55 PolarHBondContact O-N 3.45Å; D53-R171 IonicContact OD1-NE 3.82Å; D53-R171 IonicContact OD1-NH2 3.66Å; D53-R171 IonicContact OD2-NE 3.55Å |
| 54 | D | 88.3 | Confident | 93.6 | Very high | 155 Ų | 155 | 53.3 Ų | 53.3 | 83% | 0.829 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 9.3 | -177.1 | -58.3 | -44.4 | 0 | 0 | 0 | 116.8 | V52 | V52-D54 VanDerWaalsContact C-N 3.28Å; V52-D54 PolarHBondContact O-N 3.05Å |
| 55 | R | 91.5 | Very high | 93.4 | Very high | 90 Ų | 90 | 49 Ų | 49 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 124.8 | 172.2 | -162.6 | 174 | -175.4 | -177.5 | -1.9 | 110.4 | V52 D53 V57 L174 | V52-R55 PolarHBondContact N-O 2.88Å; V52-R55 WeakPolarHBondContact O-CA 3.22Å; V52-R55 WeakPolarHBondContact O-CB 3.39Å; V52-R55 PolarHBondContact O-N 3.39Å; D53-R55 PolarHBondContact O-N 3.45Å; R55-V57 HydrophobicContact CB-CG1 4.42Å; R55-V57 HydrophobicContact CG-CG1 4.08Å; R55-V57 PolarHBondContact O-N 2.98Å; R55-L174 HydrophobicContact CB-CD2 4.47Å |
| 56 | L | 94.1 | Very high | 92.5 | Very high | 96 Ų | 96 | 45.6 Ų | 45.6 | 50% | 0.503 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 119.5 | 170.1 | -173 | 66.9 | 0 | 0 | 0 | 109 | E49 M51 | E49-L56 HydrophobicContact CB-CD1 4.2Å; M51-L56 HydrophobicContact CG-CD1 4.2Å; M51-L56 HydrophobicContact SD-CB 3.68Å; M51-L56 HydrophobicContact SD-CD1 3.68Å; M51-L56 HydrophobicContact SD-CG 4.28Å |
| 57 | V | 96.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 152 | 179.3 | -53.9 | 0 | 0 | 0 | 0 | 110.2 | V7 L9 E49 V50 V52 R55 L174 | V7-V57 HydrophobicContact CB-CB 4.3Å; V7-V57 HydrophobicContact CB-CG1 3.98Å; V7-V57 HydrophobicContact CG1-CG1 4.25Å; L9-V57 HydrophobicContact CD1-CB 4.01Å; L9-V57 HydrophobicContact CD1-CG1 4.42Å; L9-V57 HydrophobicContact CD1-CG2 3.65Å; L9-V57 HydrophobicContact CG-CB 4.35Å; L9-V57 HydrophobicContact CG-CG2 4.43Å; E49-V57 WeakPolarHBondContact CA-O 3.43Å; V50-V57 HydrophobicContact CG1-CG2 3.43Å; V50-V57 VanDerWaalsContact CG1-CG2 3.43Å; V50-V57 PolarHBondContact N-O 3.28Å; V50-V57 PolarHBondContact O-N 3.3Å; V52-V57 HydrophobicContact CG2-CG2 3.91Å; R55-V57 HydrophobicContact CB-CG1 4.42Å; R55-V57 HydrophobicContact CG-CG1 4.08Å; R55-V57 PolarHBondContact O-N 2.98Å; V57-L174 HydrophobicContact CG1-CD1 4.06Å; V57-L174 HydrophobicContact CG1-CD2 4.28Å |
| 58 | T | 97.4 | Very high | 89.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 20% | 0.196 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 112.9 | 173.6 | -55.8 | 0 | 0 | 0 | 0 | 108.8 | V7 L8 L9 | V7-T58 PolarHBondContact O-N 3.36Å; L8-T58 CarbonylContact C-O 3.26Å; L8-T58 WeakPolarHBondContact CA-O 3.29Å; L9-T58 PolarHBondContact N-O 3.01Å |
| 59 | M | 97.9 | Very high | 88 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 129.9 | 171.6 | -63.5 | 178.5 | 80.2 | 0 | 0 | 109.9 | L9 V11 Y28 T47 K48 V50 I61 F166 I169 A170 | L9-M59 CarbonylContact O-C 3.46Å; L9-M59 WeakPolarHBondContact O-CA 3.46Å; V11-M59 HydrophobicContact CG2-CE 3.77Å; Y28-M59 HydrophobicContact CE1-SD 4.11Å; T47-M59 CarbonylContact C-O 3.59Å; T47-M59 VanDerWaalsContact CA-O 3.22Å; T47-M59 WeakPolarHBondContact CA-O 3.27Å; K48-M59 PolarHBondContact N-O 3.06Å; K48-M59 PolarHBondContact O-N 3.24Å; V50-M59 HydrophobicContact CB-SD 4.45Å; V50-M59 HydrophobicContact CG1-CG 3.69Å; V50-M59 HydrophobicContact CG1-SD 3.67Å; M59-I61 HydrophobicContact CB-CD1 4.45Å; M59-I61 HydrophobicContact CB-CG1 4.1Å; M59-F166 HydrophobicContact CE-CD1 4.22Å; M59-I169 HydrophobicContact CE-CG2 3.95Å; M59-A170 HydrophobicContact CE-CB 3.85Å; M59-A170 HydrophobicContact CG-CB 4.38Å; M59-A170 HydrophobicContact SD-CB 3.6Å |
| 60 | Q | 97.5 | Very high | 86.4 | Confident | 30 Ų | 30 | 51.9 Ų | 51.9 | 14% | 0.14 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 105.6 | 165.4 | -167.7 | -174.1 | 39.3 | 0 | 0 | 108.2 | L8 L9 V11 F45 T47 | L8-Q60 HydrophobicContact CD2-CB 4.12Å; L9-Q60 PolarHBondContact O-N 3.46Å; V11-Q60 PolarHBondContact N-O 3.4Å; F45-Q60 HydrophobicContact CB-CG 4.13Å; F45-Q60 HydrophobicContact CD2-CG 3.43Å; F45-Q60 VanDerWaalsContact CD2-CG 3.43Å; F45-Q60 HydrophobicContact CE2-CG 4.01Å; F45-Q60 HydrophobicContact CG-CG 3.86Å; T47-Q60 HydrophobicContact CG2-CG 4.33Å |
| 61 | I | 97.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 112.2 | -172.7 | -54.7 | 165.7 | 0 | 0 | 0 | 108 | I13 M25 Y28 V29 F45 L46 M59 F166 | I13-I61 HydrophobicContact CD1-CG2 3.52Å; I13-I61 HydrophobicContact CG1-CG2 3.99Å; M25-I61 HydrophobicContact CB-CG2 4.44Å; M25-I61 HydrophobicContact CG-CB 4.32Å; M25-I61 HydrophobicContact CG-CG2 3.84Å; M25-I61 HydrophobicContact SD-CB 4.42Å; M25-I61 HydrophobicContact SD-CG2 4.13Å; M25-I61 VanDerWaalsContact SD-O 3.35Å; Y28-I61 HydrophobicContact CD1-CD1 3.55Å; Y28-I61 HydrophobicContact CE1-CD1 3.71Å; V29-I61 HydrophobicContact CG2-CD1 3.89Å; F45-I61 CarbonylContact C-O 3.45Å; F45-I61 WeakPolarHBondContact CA-O 3.41Å; F45-I61 WeakPolarHBondContact CB-O 3.36Å; L46-I61 PolarHBondContact N-O 3.3Å; L46-I61 PolarHBondContact O-N 3.36Å; M59-I61 HydrophobicContact CB-CD1 4.45Å; M59-I61 HydrophobicContact CB-CG1 4.1Å; I61-F166 HydrophobicContact CD1-CD1 4.12Å; I61-F166 HydrophobicContact CD1-CE1 3.81Å; I61-F166 HydrophobicContact CG1-CE1 4.37Å; I61-F166 HydrophobicContact CG2-CE1 4.06Å |
| 62 | W | 94.4 | Very high | 83 | Confident | 27 Ų | 27 | 54.1 Ų | 54.1 | 10% | 0.102 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 116.7 | -178.7 | -66 | 73.8 | 0 | 0 | 0 | 110.4 | V11 I12 I13 A43 D44 F45 F77 | V11-W62 PolarHBondContact O-N 3.43Å; I12-W62 HydrophobicContact CD1-CB 3.55Å; I12-W62 HydrophobicContact CD1-CD2 4.39Å; I12-W62 HydrophobicContact CD1-CG 3.62Å; I13-W62 PolarHBondContact N-O 3.4Å; A43-W62 HydrophobicContact CB-CE3 4.27Å; D44-W62 CarbonylContact O-C 3.57Å; D44-W62 WeakPolarHBondContact O-CA 3.24Å; F45-W62 HydrophobicContact CB-CB 4.49Å; F45-W62 HydrophobicContact CB-CD2 3.84Å; F45-W62 HydrophobicContact CB-CE3 4.21Å; F45-W62 HydrophobicContact CB-CG 3.95Å; F45-W62 HydrophobicContact CD1-CD2 4.33Å; F45-W62 HydrophobicContact CD1-CE3 4.23Å; F45-W62 AromaticContact CD1-CH2 3.77Å; F45-W62 HydrophobicContact CD1-CH2 3.77Å; F45-W62 AromaticContact CD1-CZ2 3.86Å; F45-W62 HydrophobicContact CD1-CZ2 3.86Å; F45-W62 AromaticContact CD1-CZ3 3.95Å; F45-W62 HydrophobicContact CD1-CZ3 3.95Å; F45-W62 HydrophobicContact CE1-CH2 4.19Å; F45-W62 HydrophobicContact CE1-CZ2 4.33Å; F45-W62 HydrophobicContact CG-CD2 4.39Å; F45-W62 HydrophobicContact CG-CZ2 4.36Å; W62-F77 HydrophobicContact CE3-CB 4.07Å; W62-F77 AromaticContact CE3-CD1 3.92Å; W62-F77 HydrophobicContact CE3-CD1 3.92Å; W62-F77 HydrophobicContact CE3-CG 4.09Å; W62-F77 AromaticContact CH2-CD1 3.7Å; W62-F77 HydrophobicContact CH2-CD1 3.7Å; W62-F77 HydrophobicContact CH2-CE1 4.18Å; W62-F77 HydrophobicContact CZ3-CB 4.16Å; W62-F77 AromaticContact CZ3-CD1 3.17Å; W62-F77 HydrophobicContact CZ3-CD1 3.17Å; W62-F77 AromaticContact CZ3-CE1 3.66Å; W62-F77 HydrophobicContact CZ3-CE1 3.66Å; W62-F77 AromaticContact CZ3-CG 3.8Å; W62-F77 HydrophobicContact CZ3-CG 3.8Å |
| 63 | D | 90.8 | Very high | 81.6 | Confident | 3 Ų | 3 | 58.5 Ų | 58.5 | 2% | 0.016 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 127.4 | 168.2 | -178.4 | 45 | 0 | 0 | 0 | 109.3 | K21 T22 M25 T40 A43 D44 | K21-D63 WeakPolarHBondContact CB-OD1 3.27Å; T22-D63 WeakPolarHBondContact CA-OD2 3.14Å; T22-D63 VanDerWaalsContact CB-OD2 3.26Å; T22-D63 WeakPolarHBondContact CB-OD2 3.47Å; T22-D63 WeakPolarHBondContact CG2-OD2 3.47Å; T22-D63 PolarHBondContact N-OD1 3.14Å; T22-D63 PolarHBondContact OG1-OD1 3.35Å; T22-D63 PolarHBondContact OG1-OD2 2.94Å; M25-D63 HydrophobicContact CE-CB 3.53Å; M25-D63 HydrophobicContact SD-CB 3.71Å; T40-D63 PolarHBondContact OG1-OD2 2.88Å; T40-D63 VanDerWaalsContact OG1-OD2 3.07Å; A43-D63 VanDerWaalsContact CA-O 3.3Å; A43-D63 WeakPolarHBondContact CA-O 3.3Å; D44-D63 PolarHBondContact N-O 3.46Å; D44-D63 PolarHBondContact O-N 2.69Å |
| 64 | T | 85.9 | Confident | 80.3 | Confident | 4 Ų | 4 | 53.6 Ų | 53.6 | 3% | 0.025 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 152.4 | -178.9 | 68.5 | 0 | 0 | 0 | 0 | 111.5 | I12 I13 L14 K21 A43 G66 Y78 | I12-T64 HydrophobicContact CG2-CG2 4.06Å; I13-T64 PolarHBondContact O-OG1 3.22Å; L14-T64 HydrophobicContact CD2-CG2 3.92Å; L14-T64 WeakPolarHBondContact CD2-OG1 3.27Å; K21-T64 WeakPolarHBondContact CE-O 3.41Å; A43-T64 HydrophobicContact CB-CG2 4.44Å; T64-G66 PolarHBondContact O-N 2.92Å; T64-Y78 HydrophobicContact CG2-CE1 4.27Å |
| 65 | A | 82.2 | Confident | 79.2 | Confident | 6 Ų | 6 | 48.8 Ų | 48.8 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | trans | -61.8 | 126.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | T40 G42 Q67 F70 | T40-A65 VanDerWaalsContact O-CB 3.25Å; T40-A65 WeakPolarHBondContact O-CB 3.35Å; G42-A65 WeakPolarHBondContact O-CB 3.31Å; G42-A65 PolarHBondContact O-N 2.87Å; A65-Q67 VanDerWaalsContact C-N 3.33Å; A65-F70 HydrophobicContact CB-CB 3.7Å; A65-F70 HydrophobicContact CB-CD2 4.13Å; A65-F70 HydrophobicContact CB-CG 4.32Å | ||
| 66 | G | 71.2 | Confident | 78.2 | Confident | 11 Ų | 11 | 48.5 Ų | 48.5 | 11% | 0.113 | 26% | 0.259 | C | S | . | . | trans | -89.7 | 9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | G15 S17 T64 | G15-G66 WeakPolarHBondContact O-CA 3.41Å; S17-G66 PolarHBondContact N-O 2.77Å; T64-G66 PolarHBondContact O-N 2.92Å | ||
| 67 | Q | 70.9 | Confident | 77.6 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 17% | 0.173 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -92.7 | 134.1 | 175.8 | -71 | -173.9 | 36.6 | 0 | 0 | 109.5 | A65 R69 F70 Q71 | A65-Q67 VanDerWaalsContact C-N 3.33Å; Q67-R69 PolarHBondContact O-N 2.89Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-R69 VanDerWaalsContact OE1-NH2 3.16Å; Q67-F70 HydrophobicContact CB-CD2 4.04Å; Q67-F70 PolarHBondContact O-N 3.1Å; Q67-Q71 PolarHBondContact O-N 2.88Å |
| 68 | E | 62.5 | Low | 77.3 | Confident | 136 Ų | 136 | 46.9 Ų | 46.9 | 64% | 0.636 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -55.6 | -32.9 | -179.5 | 62 | -79.9 | 169.5 | 0 | 0 | 113.1 | F70 Q71 | E68-F70 PolarHBondContact O-N 3.06Å; E68-F70 VanDerWaalsContact O-N 3.1Å; E68-Q71 WeakPolarHBondContact O-CB 3.48Å; E68-Q71 PolarHBondContact O-N 2.86Å; E68-Q71 VanDerWaalsContact O-N 3.16Å |
| 69 | R | 60.6 | Low | 76.9 | Confident | 183 Ų | 183 | 54 Ų | 54 | 69% | 0.691 | 27% | 0.271 | S | S | * | . | G | 310 helix | trans | -64.4 | -16.4 | 179.1 | -64.1 | -174.3 | -65.5 | -173 | -1.3 | 114.4 | Q67 | Q67-R69 PolarHBondContact O-N 2.89Å; Q67-R69 VanDerWaalsContact O-N 3.1Å; Q67-R69 VanDerWaalsContact OE1-NH2 3.16Å |
| 70 | F | 63 | Low | 76.6 | Confident | 59 Ų | 59 | 56.6 Ų | 56.6 | 26% | 0.259 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -113.3 | 0.9 | 178.3 | -58 | -55.7 | 0 | 0 | 0 | 113.2 | A65 Q67 E68 S72 L73 | A65-F70 HydrophobicContact CB-CB 3.7Å; A65-F70 HydrophobicContact CB-CD2 4.13Å; A65-F70 HydrophobicContact CB-CG 4.32Å; Q67-F70 HydrophobicContact CB-CD2 4.04Å; Q67-F70 PolarHBondContact O-N 3.1Å; E68-F70 PolarHBondContact O-N 3.06Å; E68-F70 VanDerWaalsContact O-N 3.1Å; F70-S72 VanDerWaalsContact C-N 3.27Å; F70-S72 PolarHBondContact O-N 3Å; F70-L73 HydrophobicContact CB-CD1 4.5Å; F70-L73 HydrophobicContact CD1-CD1 4.18Å; F70-L73 WeakPolarHBondContact O-CB 2.94Å; F70-L73 PolarHBondContact O-N 2.83Å |
| 71 | Q | 59.4 | Low | 76.6 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 28% | 0.28 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.3 | -34.9 | -178.8 | -83.2 | 173.6 | -29.1 | 0 | 0 | 112.9 | Q67 E68 L73 G74 W102 E105 | Q67-Q71 PolarHBondContact O-N 2.88Å; E68-Q71 WeakPolarHBondContact O-CB 3.48Å; E68-Q71 PolarHBondContact O-N 2.86Å; E68-Q71 VanDerWaalsContact O-N 3.16Å; Q71-L73 PolarHBondContact O-N 2.86Å; Q71-G74 PolarHBondContact O-N 3.01Å; Q71-W102 HydrophobicContact CG-CH2 3.94Å; Q71-W102 HydrophobicContact CG-CZ3 4.24Å; Q71-W102 VanDerWaalsContact NE2-CH2 3.27Å; Q71-E105 PolarHBondContact NE2-OE2 3.17Å |
| 72 | S | 60.8 | Low | 76.6 | Confident | 97 Ų | 97 | 56.5 Ų | 56.5 | 68% | 0.678 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63 | -23.3 | 177.5 | 56.9 | 0 | 0 | 0 | 0 | 113.8 | F70 G74 | F70-S72 VanDerWaalsContact C-N 3.27Å; F70-S72 PolarHBondContact O-N 3Å; S72-G74 VanDerWaalsContact C-N 3.34Å |
| 73 | L | 62.9 | Low | 76.8 | Confident | 93 Ų | 93 | 55.2 Ų | 55.2 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -77.3 | -21.5 | 174.6 | -63.4 | 170 | 0 | 0 | 0 | 112.2 | F70 Q71 F77 | F70-L73 HydrophobicContact CB-CD1 4.5Å; F70-L73 HydrophobicContact CD1-CD1 4.18Å; F70-L73 WeakPolarHBondContact O-CB 2.94Å; F70-L73 PolarHBondContact O-N 2.83Å; Q71-L73 PolarHBondContact O-N 2.86Å; L73-F77 WeakPolarHBondContact O-CD2 3.32Å; L73-F77 WeakPolarHBondContact O-CE2 3.31Å |
| 74 | G | 61.9 | Low | 77.1 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 6% | 0.062 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -70.1 | -28.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q71 S72 A76 F77 Y78 | Q71-G74 PolarHBondContact O-N 3.01Å; S72-G74 VanDerWaalsContact C-N 3.34Å; G74-A76 VanDerWaalsContact C-N 3.33Å; G74-A76 PolarHBondContact O-N 3.38Å; G74-F77 WeakPolarHBondContact O-CB 3.48Å; G74-F77 PolarHBondContact O-N 3.36Å; G74-Y78 VanDerWaalsContact O-CD1 3.26Å; G74-Y78 WeakPolarHBondContact O-CD1 3.15Å; G74-Y78 WeakPolarHBondContact O-CE1 3.38Å |
| 75 | V | 64.8 | Low | 77.7 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 33% | 0.327 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -55.7 | -42.1 | -169.8 | 174.7 | 0 | 0 | 0 | 0 | 113.3 | F77 Q109 | V75-F77 PolarHBondContact O-N 2.93Å; V75-Q109 HydrophobicContact CG1-CB 4.39Å; V75-Q109 HydrophobicContact CG1-CG 4.48Å; V75-Q109 HydrophobicContact CG2-CG 4.09Å |
| 76 | A | 70.3 | Confident | 78.5 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 69% | 0.694 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -66.8 | -21.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | G74 | G74-A76 VanDerWaalsContact C-N 3.33Å; G74-A76 PolarHBondContact O-N 3.38Å |
| 77 | F | 81.6 | Confident | 79.8 | Confident | 61 Ų | 61 | 54.1 Ų | 54.1 | 27% | 0.268 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -92.7 | -16.4 | -173.1 | -55.9 | -62 | 0 | 0 | 0 | 113.6 | K10 A43 W62 L73 G74 V75 | K10-F77 WeakPolarHBondContact CE-O 3.24Å; K10-F77 PolarHBondContact NZ-O 2.75Å; A43-F77 HydrophobicContact CB-CD2 3.55Å; A43-F77 HydrophobicContact CB-CE2 3.72Å; A43-F77 HydrophobicContact CB-CG 4.08Å; A43-F77 HydrophobicContact CB-CZ 4.38Å; W62-F77 HydrophobicContact CE3-CB 4.07Å; W62-F77 AromaticContact CE3-CD1 3.92Å; W62-F77 HydrophobicContact CE3-CD1 3.92Å; W62-F77 HydrophobicContact CE3-CG 4.09Å; W62-F77 AromaticContact CH2-CD1 3.7Å; W62-F77 HydrophobicContact CH2-CD1 3.7Å; W62-F77 HydrophobicContact CH2-CE1 4.18Å; W62-F77 HydrophobicContact CZ3-CB 4.16Å; W62-F77 AromaticContact CZ3-CD1 3.17Å; W62-F77 HydrophobicContact CZ3-CD1 3.17Å; W62-F77 AromaticContact CZ3-CE1 3.66Å; W62-F77 HydrophobicContact CZ3-CE1 3.66Å; W62-F77 AromaticContact CZ3-CG 3.8Å; W62-F77 HydrophobicContact CZ3-CG 3.8Å; L73-F77 WeakPolarHBondContact O-CD2 3.32Å; L73-F77 WeakPolarHBondContact O-CE2 3.31Å; G74-F77 WeakPolarHBondContact O-CB 3.48Å; G74-F77 PolarHBondContact O-N 3.36Å; V75-F77 PolarHBondContact O-N 2.93Å |
| 78 | Y | 89.8 | Confident | 81.1 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -80.8 | -29.5 | -175 | -58.7 | -5.5 | 0 | 0 | 0 | 113.5 | I12 L14 T64 G74 G80 A81 E105 F106 Q109 | I12-Y78 HydrophobicContact CG2-CD1 4Å; I12-Y78 HydrophobicContact CG2-CE1 4.15Å; L14-Y78 HydrophobicContact CD1-CE2 4.41Å; L14-Y78 HydrophobicContact CD2-CE1 3.82Å; T64-Y78 HydrophobicContact CG2-CE1 4.27Å; G74-Y78 VanDerWaalsContact O-CD1 3.26Å; G74-Y78 WeakPolarHBondContact O-CD1 3.15Å; G74-Y78 WeakPolarHBondContact O-CE1 3.38Å; Y78-G80 PolarHBondContact O-N 3.18Å; Y78-A81 WeakPolarHBondContact O-CB 3.3Å; Y78-A81 PolarHBondContact O-N 3.12Å; Y78-A81 VanDerWaalsContact O-N 3.13Å; Y78-E105 HydrophobicContact CE2-CG 4.45Å; Y78-E105 PolarHBondContact OH-OE1 2.77Å; Y78-F106 HydrophobicContact CD2-CD2 4.05Å; Y78-F106 HydrophobicContact CG-CD2 4.14Å; Y78-F106 HydrophobicContact CG-CE2 4.48Å; Y78-Q109 HydrophobicContact CD2-CB 3.7Å; Y78-Q109 HydrophobicContact CD2-CG 4.49Å; Y78-Q109 HydrophobicContact CE2-CB 4.22Å |
| 79 | R | 90.3 | Very high | 82.8 | Confident | 181 Ų | 181 | 46.4 Ų | 46.4 | 68% | 0.683 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | 136.1 | -177.1 | -168.2 | 178.7 | -179.6 | 93.3 | -0.4 | 111.3 | K10 A81 | K10-R79 PolarHBondContact NZ-O 3.36Å; R79-A81 PolarHBondContact O-N 3.07Å |
| 80 | G | 91.5 | Very high | 84.7 | Confident | 55 Ų | 55 | 37.7 Ų | 37.7 | 57% | 0.567 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.8 | 18.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y78 | Y78-G80 PolarHBondContact O-N 3.18Š|
| 81 | A | 95.9 | Very high | 86.3 | Confident | 9 Ų | 9 | 35.7 Ų | 35.7 | 7% | 0.074 | 21% | 0.209 | C | C | . | . | trans | -67.1 | 140.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | I12 Y78 R79 F106 F118 | I12-A81 HydrophobicContact CD1-CB 4.41Å; I12-A81 HydrophobicContact CG1-CB 3.62Å; Y78-A81 WeakPolarHBondContact O-CB 3.3Å; Y78-A81 PolarHBondContact O-N 3.12Å; Y78-A81 VanDerWaalsContact O-N 3.13Å; R79-A81 PolarHBondContact O-N 3.07Å; A81-F106 HydrophobicContact CB-CE2 4Å; A81-F106 HydrophobicContact CB-CZ 3.9Å; A81-F118 HydrophobicContact CB-CZ 4.34Å; A81-F118 VanDerWaalsContact O-CE2 3.25Å; A81-F118 WeakPolarHBondContact O-CE2 3.35Å | ||
| 82 | D | 97.8 | Very high | 88.2 | Confident | 19 Ų | 19 | 34.3 Ų | 34.3 | 10% | 0.102 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -97.7 | -17.6 | 177.2 | -56.1 | -59.5 | 0 | 0 | 0 | 111.7 | L9 K10 P119 A173 Q176 | L9-D82 WeakPolarHBondContact CA-OD2 3.5Å; K10-D82 PolarHBondContact N-OD2 3.22Å; K10-D82 PolarHBondContact O-N 3.47Å; D82-P119 WeakPolarHBondContact O-CG 2.96Å; D82-A173 HydrophobicContact CB-CB 3.86Å; D82-A173 WeakPolarHBondContact O-CA 3.44Å; D82-Q176 WeakPolarHBondContact O-CB 3.27Å; D82-Q176 WeakPolarHBondContact O-CG 3.38Å |
| 83 | C | 98.2 | Very high | 90 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 147.9 | 172 | -174.5 | 0 | 0 | 0 | 0 | 111.2 | K10 V11 I12 P119 I169 A173 | K10-C83 PolarHBondContact O-N 2.83Å; V11-C83 WeakPolarHBondContact CA-O 3.34Å; V11-C83 HydrophobicContact CG2-CB 4.42Å; I12-C83 PolarHBondContact N-O 2.97Å; C83-P119 WeakPolarHBondContact CA-O 3.4Å; C83-P119 HydrophobicContact CB-CG 4.22Å; C83-P119 PolarHBondContact SG-O 3.23Å; C83-P119 VanDerWaalsContact SG-O 3.36Å; C83-I169 HydrophobicContact CB-CG2 4.3Å; C83-A173 HydrophobicContact CB-CB 3.81Å |
| 84 | C | 97.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 132.7 | 173.2 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | I12 F106 F118 P119 F120 V121 | I12-C84 CarbonylContact O-C 3.56Å; I12-C84 WeakPolarHBondContact O-CA 3.38Å; C84-F106 HydrophobicContact CB-CD1 4.11Å; C84-F106 HydrophobicContact CB-CD2 4Å; C84-F106 HydrophobicContact CB-CE1 3.95Å; C84-F106 HydrophobicContact CB-CE2 3.81Å; C84-F106 HydrophobicContact CB-CG 4.14Å; C84-F106 HydrophobicContact CB-CZ 3.79Å; C84-F118 HydrophobicContact CB-CE1 3.79Å; C84-P119 PolarHBondContact N-O 3.18Å; C84-F120 HydrophobicContact CB-CD1 3.6Å; C84-F120 HydrophobicContact CB-CE1 3.57Å; C84-F120 HydrophobicContact CB-CZ 4.48Å; C84-F120 CarbonylContact O-C 3.58Å; C84-F120 VanDerWaalsContact O-CA 3.23Å; C84-F120 WeakPolarHBondContact O-CA 3.49Å; C84-V121 PolarHBondContact O-N 2.85Å |
| 85 | V | 98.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 119.1 | 179 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | V11 I12 I13 L14 V87 V121 L123 I169 | V11-V85 HydrophobicContact CG1-CG2 3.64Å; I12-V85 PolarHBondContact O-N 3.35Å; I13-V85 WeakPolarHBondContact CA-O 3.42Å; I13-V85 HydrophobicContact CB-CB 4.49Å; I13-V85 HydrophobicContact CG1-CB 4.23Å; I13-V85 HydrophobicContact CG1-CG2 4.47Å; I13-V85 HydrophobicContact CG2-CB 4.35Å; I13-V85 HydrophobicContact CG2-CG1 4.45Å; L14-V85 PolarHBondContact N-O 3.44Å; V85-V87 HydrophobicContact CG1-CG2 4.04Å; V85-V121 CarbonylContact C-O 3.59Å; V85-V121 WeakPolarHBondContact CA-O 3.23Å; V85-L123 HydrophobicContact CG1-CD1 3.5Å; V85-L123 VanDerWaalsContact CG1-CD1 3.5Å; V85-L123 HydrophobicContact CG1-CG 3.66Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.1Å; V85-I169 HydrophobicContact CG2-CD1 3.48Å; V85-I169 VanDerWaalsContact CG2-CD1 3.48Å; V85-I169 HydrophobicContact CG2-CG1 3.92Å; V85-I169 HydrophobicContact CG2-CG2 4.09Å |
| 86 | L | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.9 | 178.1 | -56.2 | 175.7 | 0 | 0 | 0 | 109.2 | L14 L99 W102 R103 F120 V121 V122 L123 W142 | L14-L86 HydrophobicContact CB-CD2 4.11Å; L86-L99 HydrophobicContact CB-CD2 3.86Å; L86-W102 HydrophobicContact CD2-CB 4.02Å; L86-R103 HydrophobicContact CD1-CB 4.01Å; L86-F120 HydrophobicContact CD1-CD1 3.92Å; L86-F120 HydrophobicContact CD1-CE1 4.42Å; L86-F120 HydrophobicContact CD2-CD1 4.46Å; L86-F120 HydrophobicContact CG-CD1 4.04Å; L86-V121 PolarHBondContact N-O 2.85Å; L86-V122 HydrophobicContact CB-CG2 4.34Å; L86-V122 CarbonylContact O-C 3.49Å; L86-V122 WeakPolarHBondContact O-CA 3.43Å; L86-L123 PolarHBondContact O-N 2.95Å; L86-W142 HydrophobicContact CD1-CH2 4.04Å |
| 87 | V | 98.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.4 | -174.3 | -170.9 | 0 | 0 | 0 | 0 | 110.3 | I13 L14 G15 V19 K21 L24 V85 L123 N125 | I13-V87 HydrophobicContact CG2-CG2 3.48Å; I13-V87 VanDerWaalsContact CG2-CG2 3.48Å; L14-V87 PolarHBondContact O-N 3.01Å; G15-V87 WeakPolarHBondContact CA-O 3.45Å; V19-V87 HydrophobicContact CB-CG1 4.25Å; V19-V87 HydrophobicContact CG2-CB 3.93Å; V19-V87 HydrophobicContact CG2-CG1 3.75Å; K21-V87 HydrophobicContact CG-CB 4.16Å; K21-V87 HydrophobicContact CG-CG2 4.25Å; L24-V87 HydrophobicContact CD1-CG1 3.73Å; L24-V87 HydrophobicContact CD1-CG2 4.13Å; V85-V87 HydrophobicContact CG1-CG2 4.04Å; V87-L123 WeakPolarHBondContact CA-O 3.4Å; V87-L123 HydrophobicContact CG1-CB 4.42Å; V87-L123 HydrophobicContact CG2-CB 4.27Å; V87-L123 HydrophobicContact CG2-CD1 4.31Å; V87-N125 HydrophobicContact CG1-CB 4.04Å |
| 88 | F | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 166.5 | 168.7 | 73.4 | -83.7 | 0 | 0 | 0 | 110.9 | V90 T95 F96 L99 V122 L123 G124 N125 V134 A139 Y151 | F88-V90 HydrophobicContact CE2-CG1 3.9Å; F88-V90 HydrophobicContact CZ-CG1 4.37Å; F88-T95 WeakPolarHBondContact CB-O 3.25Å; F88-F96 HydrophobicContact CB-CB 4.43Å; F88-F96 AromaticContact CD1-CD2 3.95Å; F88-F96 HydrophobicContact CD1-CD2 3.95Å; F88-F96 HydrophobicContact CD2-CB 3.84Å; F88-F96 AromaticContact CD2-CD2 3.97Å; F88-F96 HydrophobicContact CD2-CD2 3.97Å; F88-F96 HydrophobicContact CD2-CG 4.37Å; F88-F96 AromaticContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CE2 4.24Å; F88-F96 HydrophobicContact CE2-CB 4.3Å; F88-F96 AromaticContact CE2-CD2 3.85Å; F88-F96 HydrophobicContact CE2-CD2 3.85Å; F88-F96 HydrophobicContact CE2-CG 4.44Å; F88-F96 HydrophobicContact CG-CB 4.17Å; F88-F96 HydrophobicContact CG-CD2 4.01Å; F88-F96 AromaticContact CZ-CD2 3.75Å; F88-F96 HydrophobicContact CZ-CD2 3.75Å; F88-F96 HydrophobicContact CZ-CE2 4.27Å; F88-L99 HydrophobicContact CB-CD1 4.36Å; F88-L99 HydrophobicContact CB-CD2 4.22Å; F88-L99 HydrophobicContact CB-CG 4.45Å; F88-L99 HydrophobicContact CD1-CD1 3.74Å; F88-L99 HydrophobicContact CE1-CD1 4.33Å; F88-L99 HydrophobicContact CG-CD1 4.25Å; F88-V122 HydrophobicContact CD1-CG1 3.98Å; F88-V122 HydrophobicContact CE1-CG1 3.78Å; F88-L123 WeakPolarHBondContact CD1-O 3.34Å; F88-L123 PolarHBondContact N-O 3.37Å; F88-G124 VanDerWaalsContact CE1-CA 3.43Å; F88-N125 PolarHBondContact O-N 2.98Å; F88-V134 HydrophobicContact CD2-CG2 4.42Å; F88-V134 HydrophobicContact CE2-CB 3.94Å; F88-V134 HydrophobicContact CE2-CG1 3.73Å; F88-V134 HydrophobicContact CE2-CG2 4.15Å; F88-V134 HydrophobicContact CZ-CG1 4.23Å; F88-A139 HydrophobicContact CE1-CB 4.32Å; F88-A139 HydrophobicContact CZ-CB 3.86Å; F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 AromaticContact CZ-CE2 3.98Å; F88-Y151 HydrophobicContact CZ-CE2 3.98Å |
| 89 | D | 98.6 | Very high | 97.4 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 6% | 0.059 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 121.8 | 175.6 | 179.1 | -16 | 0 | 0 | 0 | 109.6 | V19 T91 A92 T95 K126 | V19-D89 HydrophobicContact CB-CB 4.39Å; V19-D89 HydrophobicContact CG1-CB 4.26Å; D89-T91 VanDerWaalsContact CG-OG1 3.25Å; D89-T91 PolarHBondContact O-N 3.4Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.33Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 3.36Å; D89-T91 PolarHBondContact OD1-OG1 3.02Å; D89-T91 PolarHBondContact OD2-OG1 3.36Å; D89-A92 HydrophobicContact CB-CB 4.08Å; D89-A92 PolarHBondContact O-N 3.21Å; D89-T95 PolarHBondContact N-OG1 2.95Å; D89-T95 PolarHBondContact O-OG1 3.33Å; D89-K126 VanDerWaalsContact OD2-CD 3.27Å; D89-K126 WeakPolarHBondContact OD2-CD 3.34Å; D89-K126 WeakPolarHBondContact OD2-CE 3.33Å; D89-K126 IonicContact OD2-NZ 2.68Å; D89-K126 PolarHBondContact OD2-NZ 2.97Å |
| 90 | V | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16.3 | -178 | -59.6 | 0 | 0 | 0 | 0 | 113.5 | F88 N125 I127 R132 Q133 V134 | F88-V90 HydrophobicContact CE2-CG1 3.9Å; F88-V90 HydrophobicContact CZ-CG1 4.37Å; V90-N125 WeakPolarHBondContact CG2-O 3.28Å; V90-N125 PolarHBondContact N-O 3.27Å; V90-I127 HydrophobicContact CG1-CG2 4.09Å; V90-I127 HydrophobicContact CG2-CG2 4.17Å; V90-R132 HydrophobicContact CB-CG 4.43Å; V90-Q133 PolarHBondContact O-N 3.16Å; V90-V134 PolarHBondContact O-N 3.29Å |
| 91 | T | 98.4 | Very high | 97.8 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 10% | 0.104 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -10.9 | 177.2 | 72.8 | 0 | 0 | 0 | 0 | 113.3 | D89 L129 N131 Q133 | D89-T91 VanDerWaalsContact CG-OG1 3.25Å; D89-T91 PolarHBondContact O-N 3.4Å; D89-T91 VanDerWaalsContact O-N 3.1Å; D89-T91 WeakPolarHBondContact OD1-CA 3.33Å; D89-T91 WeakPolarHBondContact OD1-CB 3.4Å; D89-T91 PolarHBondContact OD1-N 3.36Å; D89-T91 PolarHBondContact OD1-OG1 3.02Å; D89-T91 PolarHBondContact OD2-OG1 3.36Å; T91-L129 HydrophobicContact CG2-CB 3.67Å; T91-L129 HydrophobicContact CG2-CD1 3.83Å; T91-L129 HydrophobicContact CG2-CG 4.37Å; T91-N131 WeakPolarHBondContact CG2-OD1 3.39Å; T91-Q133 WeakPolarHBondContact O-CG 3.05Å; T91-Q133 PolarHBondContact O-NE2 2.91Å; T91-Q133 VanDerWaalsContact O-NE2 3.17Å |
| 92 | A | 98.1 | Very high | 97.7 | Very high | 31 Ų | 31 | 25.3 Ų | 25.3 | 26% | 0.256 | 14% | 0.144 | S | C | . | . | trans | -125.8 | 91.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | D89 N94 T95 | D89-A92 HydrophobicContact CB-CB 4.08Å; D89-A92 PolarHBondContact O-N 3.21Å; A92-N94 PolarHBondContact O-N 3.08Å; A92-T95 HydrophobicContact CB-CG2 3.88Å; A92-T95 WeakPolarHBondContact O-CB 3.13Å; A92-T95 PolarHBondContact O-N 3.03Å; A92-T95 PolarHBondContact O-OG1 2.89Å | ||
| 93 | P | 97.9 | Very high | 97.6 | Very high | 33 Ų | 33 | 25 Ų | 25 | 21% | 0.214 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -59.3 | -27 | -171.3 | -27.8 | 36.3 | 0 | 0 | 0 | 115.7 | T95 F96 K97 Q133 V134 | P93-T95 VanDerWaalsContact C-N 3.27Å; P93-T95 PolarHBondContact O-N 2.92Å; P93-F96 PolarHBondContact O-N 3.23Å; P93-K97 PolarHBondContact O-N 3.36Å; P93-Q133 HydrophobicContact CG-CB 3.43Å; P93-Q133 VanDerWaalsContact CG-CB 3.43Å; P93-Q133 HydrophobicContact CG-CG 4.4Å; P93-V134 HydrophobicContact CB-CG2 4.32Å; P93-V134 HydrophobicContact CG-CG2 4.4Å |
| 94 | N | 97.9 | Very high | 97.4 | Very high | 106 Ų | 106 | 29 Ų | 29 | 57% | 0.567 | 16% | 0.162 | S | C | * | . | H | α-helix | trans | -65.2 | -34.6 | 178.3 | -68.6 | -20.6 | 0 | 0 | 0 | 111.6 | A92 F96 K97 T98 | A92-N94 PolarHBondContact O-N 3.08Å; N94-F96 PolarHBondContact O-N 3.47Å; N94-K97 WeakPolarHBondContact O-CB 3.38Å; N94-K97 PolarHBondContact O-N 2.84Å; N94-K97 PolarHBondContact OD1-NZ 2.77Å; N94-K97 VanDerWaalsContact OD1-NZ 3.1Å; N94-T98 PolarHBondContact O-N 2.84Å; N94-T98 PolarHBondContact O-OG1 3.39Å |
| 95 | T | 98.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 30.7 Ų | 30.7 | 9% | 0.086 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.3 | -22.7 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 113.1 | D16 V19 F88 D89 A92 P93 T98 | D16-T95 HydrophobicContact CB-CG2 3.93Å; D16-T95 WeakPolarHBondContact OD2-CA 3.32Å; V19-T95 HydrophobicContact CG1-CG2 3.75Å; F88-T95 WeakPolarHBondContact CB-O 3.25Å; D89-T95 PolarHBondContact N-OG1 2.95Å; D89-T95 PolarHBondContact O-OG1 3.33Å; A92-T95 HydrophobicContact CB-CG2 3.88Å; A92-T95 WeakPolarHBondContact O-CB 3.13Å; A92-T95 PolarHBondContact O-N 3.03Å; A92-T95 PolarHBondContact O-OG1 2.89Å; P93-T95 VanDerWaalsContact C-N 3.27Å; P93-T95 PolarHBondContact O-N 2.92Å; T95-T98 PolarHBondContact O-OG1 2.85Å; T95-T98 VanDerWaalsContact O-OG1 3.12Å |
| 96 | F | 98.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 30.7 Ų | 30.7 | 4% | 0.044 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79.5 | -37.6 | 171.5 | 178 | -99.1 | 0 | 0 | 0 | 111.7 | F88 P93 N94 T98 L99 V134 R138 A139 W142 | F88-F96 HydrophobicContact CB-CB 4.43Å; F88-F96 AromaticContact CD1-CD2 3.95Å; F88-F96 HydrophobicContact CD1-CD2 3.95Å; F88-F96 HydrophobicContact CD2-CB 3.84Å; F88-F96 AromaticContact CD2-CD2 3.97Å; F88-F96 HydrophobicContact CD2-CD2 3.97Å; F88-F96 HydrophobicContact CD2-CG 4.37Å; F88-F96 AromaticContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CD2 3.8Å; F88-F96 HydrophobicContact CE1-CE2 4.24Å; F88-F96 HydrophobicContact CE2-CB 4.3Å; F88-F96 AromaticContact CE2-CD2 3.85Å; F88-F96 HydrophobicContact CE2-CD2 3.85Å; F88-F96 HydrophobicContact CE2-CG 4.44Å; F88-F96 HydrophobicContact CG-CB 4.17Å; F88-F96 HydrophobicContact CG-CD2 4.01Å; F88-F96 AromaticContact CZ-CD2 3.75Å; F88-F96 HydrophobicContact CZ-CD2 3.75Å; F88-F96 HydrophobicContact CZ-CE2 4.27Å; P93-F96 PolarHBondContact O-N 3.23Å; N94-F96 PolarHBondContact O-N 3.47Å; F96-T98 VanDerWaalsContact C-N 3.26Å; F96-T98 PolarHBondContact O-N 3.34Å; F96-L99 HydrophobicContact CD2-CD1 3.48Å; F96-L99 VanDerWaalsContact CD2-CD1 3.48Å; F96-L99 HydrophobicContact CE2-CD1 3.76Å; F96-L99 HydrophobicContact CG-CD1 4.27Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 VanDerWaalsContact O-CG 3.26Å; F96-L99 WeakPolarHBondContact O-CG 3.41Å; F96-L99 PolarHBondContact O-N 2.83Å; F96-V134 HydrophobicContact CB-CG1 4.34Å; F96-V134 HydrophobicContact CB-CG2 4.06Å; F96-V134 HydrophobicContact CD1-CG1 4.38Å; F96-V134 HydrophobicContact CD2-CG1 4.12Å; F96-V134 HydrophobicContact CG-CG1 4Å; F96-R138 HydrophobicContact CE1-CG 4.04Å; F96-R138 HydrophobicContact CZ-CG 4.39Å; F96-A139 HydrophobicContact CD2-CB 4.49Å; F96-A139 HydrophobicContact CE2-CB 3.77Å; F96-A139 HydrophobicContact CZ-CB 4.34Å; F96-W142 HydrophobicContact CE2-CB 4.44Å; F96-W142 HydrophobicContact CZ-CB 3.7Å; F96-W142 AromaticContact CZ-CG 3.97Å; F96-W142 HydrophobicContact CZ-CG 3.97Å |
| 97 | K | 97.7 | Very high | 96.7 | Very high | 116 Ų | 116 | 32.1 Ų | 32.1 | 50% | 0.504 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.5 | -30.5 | 179.2 | -65.7 | 173.2 | -171.2 | 164.8 | 0 | 112.4 | P93 N94 L99 | P93-K97 PolarHBondContact O-N 3.36Å; N94-K97 WeakPolarHBondContact O-CB 3.38Å; N94-K97 PolarHBondContact O-N 2.84Å; N94-K97 PolarHBondContact OD1-NZ 2.77Å; N94-K97 VanDerWaalsContact OD1-NZ 3.1Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 3.23Å |
| 98 | T | 96.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 37.5 Ų | 37.5 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | -5.6 | -179.9 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | D16 N94 T95 F96 D100 S101 W102 | D16-T98 VanDerWaalsContact CG-OG1 3.23Å; D16-T98 WeakPolarHBondContact OD1-CB 3.43Å; D16-T98 PolarHBondContact OD1-OG1 2.73Å; D16-T98 PolarHBondContact OD2-OG1 3.24Å; N94-T98 PolarHBondContact O-N 2.84Å; N94-T98 PolarHBondContact O-OG1 3.39Å; T95-T98 PolarHBondContact O-OG1 2.85Å; T95-T98 VanDerWaalsContact O-OG1 3.12Å; F96-T98 VanDerWaalsContact C-N 3.26Å; F96-T98 PolarHBondContact O-N 3.34Å; T98-D100 VanDerWaalsContact C-N 3.27Å; T98-D100 PolarHBondContact O-N 3.03Å; T98-S101 WeakPolarHBondContact O-CB 3.43Å; T98-S101 PolarHBondContact O-N 3.27Å; T98-S101 VanDerWaalsContact O-N 3.09Å; T98-W102 PolarHBondContact O-N 2.78Å |
| 99 | L | 97.4 | Very high | 96 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.8 | -35 | 178.9 | -66.7 | 176.1 | 0 | 0 | 0 | 113 | L86 F88 F96 K97 W102 R103 V122 W142 | L86-L99 HydrophobicContact CB-CD2 3.86Å; F88-L99 HydrophobicContact CB-CD1 4.36Å; F88-L99 HydrophobicContact CB-CD2 4.22Å; F88-L99 HydrophobicContact CB-CG 4.45Å; F88-L99 HydrophobicContact CD1-CD1 3.74Å; F88-L99 HydrophobicContact CE1-CD1 4.33Å; F88-L99 HydrophobicContact CG-CD1 4.25Å; F96-L99 HydrophobicContact CD2-CD1 3.48Å; F96-L99 VanDerWaalsContact CD2-CD1 3.48Å; F96-L99 HydrophobicContact CE2-CD1 3.76Å; F96-L99 HydrophobicContact CG-CD1 4.27Å; F96-L99 WeakPolarHBondContact O-CB 3.41Å; F96-L99 VanDerWaalsContact O-CG 3.26Å; F96-L99 WeakPolarHBondContact O-CG 3.41Å; F96-L99 PolarHBondContact O-N 2.83Å; K97-L99 VanDerWaalsContact C-N 3.25Å; K97-L99 PolarHBondContact O-N 3.23Å; L99-W102 PolarHBondContact O-N 3.08Å; L99-R103 WeakPolarHBondContact O-CB 3.24Å; L99-R103 PolarHBondContact O-N 2.8Å; L99-V122 HydrophobicContact CD1-CG1 4.28Å; L99-W142 HydrophobicContact CB-CH2 3.97Å; L99-W142 HydrophobicContact CB-CZ2 3.82Å |
| 100 | D | 96.5 | Very high | 95.7 | Very high | 50 Ų | 50 | 40.8 Ų | 40.8 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60 | -48.2 | 173.2 | -76.2 | -71.2 | 0 | 0 | 0 | 110.6 | T98 W102 R103 D104 W142 K146 | T98-D100 VanDerWaalsContact C-N 3.27Å; T98-D100 PolarHBondContact O-N 3.03Å; D100-W102 PolarHBondContact O-N 3.13Å; D100-R103 PolarHBondContact O-N 3.5Å; D100-D104 WeakPolarHBondContact O-CB 3.33Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.16Å; D100-W142 PolarHBondContact OD1-NE1 3.31Å; D100-W142 PolarHBondContact OD2-NE1 3.18Å; D100-K146 WeakPolarHBondContact OD1-CE 3.17Å; D100-K146 IonicContact OD1-NZ 2.62Å; D100-K146 PolarHBondContact OD1-NZ 3.01Å |
| 101 | S | 94.4 | Very high | 95.4 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 54% | 0.538 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 177.7 | -53.7 | 0 | 0 | 0 | 0 | 112.6 | T98 D104 E105 | T98-S101 WeakPolarHBondContact O-CB 3.43Å; T98-S101 PolarHBondContact O-N 3.27Å; T98-S101 VanDerWaalsContact O-N 3.09Å; S101-D104 PolarHBondContact O-N 3.06Å; S101-E105 VanDerWaalsContact O-CB 3.24Å; S101-E105 WeakPolarHBondContact O-CB 3.47Å; S101-E105 PolarHBondContact O-N 3.4Å |
| 102 | W | 94.6 | Very high | 95.1 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.4 | -38.9 | 176.7 | -76.4 | 114.8 | 0 | 0 | 0 | 112.8 | L14 G15 D16 Q71 L86 T98 L99 D100 F106 | L14-W102 HydrophobicContact CB-CB 4.49Å; L14-W102 HydrophobicContact CB-CD2 4.32Å; L14-W102 HydrophobicContact CB-CE3 4.02Å; L14-W102 HydrophobicContact CD1-CE3 4.24Å; L14-W102 HydrophobicContact CD2-CE3 4.46Å; L14-W102 HydrophobicContact CD2-CZ3 4.46Å; L14-W102 HydrophobicContact CG-CE3 4.48Å; G15-W102 WeakPolarHBondContact O-CZ2 3.47Å; D16-W102 PolarHBondContact OD1-NE1 2.98Å; Q71-W102 HydrophobicContact CG-CH2 3.94Å; Q71-W102 HydrophobicContact CG-CZ3 4.24Å; Q71-W102 VanDerWaalsContact NE2-CH2 3.27Å; L86-W102 HydrophobicContact CD2-CB 4.02Å; T98-W102 PolarHBondContact O-N 2.78Å; L99-W102 PolarHBondContact O-N 3.08Å; D100-W102 PolarHBondContact O-N 3.13Å; W102-F106 WeakPolarHBondContact O-CB 3.29Å; W102-F106 PolarHBondContact O-N 3.44Å |
| 103 | R | 95.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 5% | 0.053 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.4 | -50 | 174.9 | 178.4 | -179.2 | 165.4 | 115.4 | -3.9 | 110.7 | L86 L99 D100 F106 L107 F120 K146 I149 | L86-R103 HydrophobicContact CD1-CB 4.01Å; L99-R103 WeakPolarHBondContact O-CB 3.24Å; L99-R103 PolarHBondContact O-N 2.8Å; D100-R103 PolarHBondContact O-N 3.5Å; R103-F106 PolarHBondContact O-N 2.56Å; R103-L107 HydrophobicContact CG-CD1 4.15Å; R103-L107 WeakPolarHBondContact O-CG 3.44Å; R103-L107 PolarHBondContact O-N 3.07Å; R103-F120 HydrophobicContact CG-CE1 4.07Å; R103-F120 HydrophobicContact CG-CE2 4.34Å; R103-F120 HydrophobicContact CG-CZ 3.88Å; R103-K146 PolarHBondContact NH1-O 2.97Å; R103-I149 VanDerWaalsContact NH1-CD1 3.34Å |
| 104 | D | 94 | Very high | 94.4 | Very high | 82 Ų | 82 | 52.4 Ų | 52.4 | 44% | 0.439 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64 | -44.2 | -177.2 | -67.7 | -12 | 0 | 0 | 0 | 110.9 | D100 S101 F106 L107 I108 | D100-D104 WeakPolarHBondContact O-CB 3.33Å; D100-D104 VanDerWaalsContact O-CG 3.25Å; D100-D104 PolarHBondContact O-N 3.16Å; S101-D104 PolarHBondContact O-N 3.06Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 3.21Å; D104-L107 PolarHBondContact O-N 3.44Å; D104-I108 VanDerWaalsContact O-CG1 3.24Å; D104-I108 WeakPolarHBondContact O-CG1 3.33Å; D104-I108 PolarHBondContact O-N 3.21Å |
| 105 | E | 91.8 | Very high | 94.2 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 17% | 0.173 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.6 | -48.3 | 173.7 | -174.2 | -166.2 | 133.7 | 0 | 0 | 111.1 | Q71 Y78 S101 L107 I108 Q109 | Q71-E105 PolarHBondContact NE2-OE2 3.17Å; Y78-E105 HydrophobicContact CE2-CG 4.45Å; Y78-E105 PolarHBondContact OH-OE1 2.77Å; S101-E105 VanDerWaalsContact O-CB 3.24Å; S101-E105 WeakPolarHBondContact O-CB 3.47Å; S101-E105 PolarHBondContact O-N 3.4Å; E105-L107 PolarHBondContact O-N 3Å; E105-I108 PolarHBondContact O-N 3.26Å; E105-Q109 HydrophobicContact CG-CG 4.29Å; E105-Q109 WeakPolarHBondContact O-CB 3.23Å; E105-Q109 VanDerWaalsContact O-CG 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.25Å; E105-Q109 PolarHBondContact O-N 2.74Å |
| 106 | F | 93.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58.6 | -48.2 | 178 | 176.7 | -89.2 | 0 | 0 | 0 | 111.7 | I12 L14 Y78 A81 C84 W102 R103 D104 I108 Q109 A110 F118 F120 | I12-F106 HydrophobicContact CB-CE2 4.38Å; I12-F106 HydrophobicContact CG1-CE2 4.25Å; L14-F106 HydrophobicContact CD1-CB 3.79Å; L14-F106 HydrophobicContact CD1-CD2 4.03Å; L14-F106 HydrophobicContact CD1-CG 4.31Å; Y78-F106 HydrophobicContact CD2-CD2 4.05Å; Y78-F106 HydrophobicContact CG-CD2 4.14Å; Y78-F106 HydrophobicContact CG-CE2 4.48Å; A81-F106 HydrophobicContact CB-CE2 4Å; A81-F106 HydrophobicContact CB-CZ 3.9Å; C84-F106 HydrophobicContact CB-CD1 4.11Å; C84-F106 HydrophobicContact CB-CD2 4Å; C84-F106 HydrophobicContact CB-CE1 3.95Å; C84-F106 HydrophobicContact CB-CE2 3.81Å; C84-F106 HydrophobicContact CB-CG 4.14Å; C84-F106 HydrophobicContact CB-CZ 3.79Å; W102-F106 WeakPolarHBondContact O-CB 3.29Å; W102-F106 PolarHBondContact O-N 3.44Å; R103-F106 PolarHBondContact O-N 2.56Å; D104-F106 VanDerWaalsContact C-N 3.35Å; D104-F106 PolarHBondContact O-N 3.21Å; F106-I108 VanDerWaalsContact C-N 3.33Å; F106-I108 PolarHBondContact O-N 3.48Å; F106-Q109 PolarHBondContact O-N 2.91Å; F106-A110 HydrophobicContact CD1-CB 4.2Å; F106-A110 HydrophobicContact CD2-CB 4.23Å; F106-A110 HydrophobicContact CE1-CB 3.8Å; F106-A110 HydrophobicContact CE2-CB 3.85Å; F106-A110 HydrophobicContact CG-CB 4.4Å; F106-A110 HydrophobicContact CZ-CB 3.61Å; F106-A110 WeakPolarHBondContact O-CA 3.42Å; F106-A110 WeakPolarHBondContact O-CB 3.42Å; F106-A110 PolarHBondContact O-N 2.85Å; F106-F118 HydrophobicContact CD1-CD1 4.45Å; F106-F118 HydrophobicContact CD1-CE1 4.26Å; F106-F118 AromaticContact CE1-CD1 3.58Å; F106-F118 HydrophobicContact CE1-CD1 3.58Å; F106-F118 AromaticContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE2 4.23Å; F106-F118 HydrophobicContact CE1-CG 4.26Å; F106-F118 AromaticContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CZ-CD1 4.24Å; F106-F118 AromaticContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE2 4.21Å; F106-F118 AromaticContact CZ-CZ 3.37Å; F106-F118 HydrophobicContact CZ-CZ 3.37Å; F106-F120 HydrophobicContact CB-CE1 4.5Å; F106-F120 AromaticContact CD1-CE1 3.77Å; F106-F120 HydrophobicContact CD1-CE1 3.77Å; F106-F120 AromaticContact CD1-CZ 3.57Å; F106-F120 HydrophobicContact CD1-CZ 3.57Å; F106-F120 HydrophobicContact CE1-CE1 4.36Å; F106-F120 HydrophobicContact CE1-CZ 4.09Å; F106-F120 HydrophobicContact CG-CE1 4.27Å; F106-F120 HydrophobicContact CG-CZ 4.44Å |
| 107 | L | 94.5 | Very high | 93.6 | Very high | 29 Ų | 29 | 59.3 Ų | 59.3 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.6 | -40.2 | -177.7 | -70.9 | 178 | 0 | 0 | 0 | 112 | R103 D104 E105 S111 P112 P115 F120 | R103-L107 HydrophobicContact CG-CD1 4.15Å; R103-L107 WeakPolarHBondContact O-CG 3.44Å; R103-L107 PolarHBondContact O-N 3.07Å; D104-L107 PolarHBondContact O-N 3.44Å; E105-L107 PolarHBondContact O-N 3Å; L107-S111 WeakPolarHBondContact O-CA 3.28Å; L107-S111 PolarHBondContact O-N 3.39Å; L107-S111 VanDerWaalsContact O-N 3.11Å; L107-P112 HydrophobicContact CD2-CG 3.78Å; L107-P112 WeakPolarHBondContact O-CD 3.49Å; L107-P115 HydrophobicContact CD2-CB 3.99Å; L107-F120 HydrophobicContact CD2-CE2 3.88Å; L107-F120 HydrophobicContact CD2-CZ 3.73Å; L107-F120 HydrophobicContact CG-CE2 4.39Å; L107-F120 HydrophobicContact CG-CZ 3.97Å |
| 108 | I | 92.3 | Very high | 93.6 | Very high | 113 Ų | 113 | 54.3 Ų | 54.3 | 58% | 0.579 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.9 | -53.1 | 175.8 | -67.2 | 166.6 | 0 | 0 | 0 | 110.2 | D104 E105 F106 S111 | D104-I108 VanDerWaalsContact O-CG1 3.24Å; D104-I108 WeakPolarHBondContact O-CG1 3.33Å; D104-I108 PolarHBondContact O-N 3.21Å; E105-I108 PolarHBondContact O-N 3.26Å; F106-I108 VanDerWaalsContact C-N 3.33Å; F106-I108 PolarHBondContact O-N 3.48Å; I108-S111 PolarHBondContact O-OG 2.93Å |
| 109 | Q | 90.3 | Very high | 93.7 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 35% | 0.346 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -80.6 | -38.6 | -168.9 | -59.5 | -60.3 | -22.2 | 0 | 0 | 113.1 | V75 Y78 E105 F106 S111 | V75-Q109 HydrophobicContact CG1-CB 4.39Å; V75-Q109 HydrophobicContact CG1-CG 4.48Å; V75-Q109 HydrophobicContact CG2-CG 4.09Å; Y78-Q109 HydrophobicContact CD2-CB 3.7Å; Y78-Q109 HydrophobicContact CD2-CG 4.49Å; Y78-Q109 HydrophobicContact CE2-CB 4.22Å; E105-Q109 HydrophobicContact CG-CG 4.29Å; E105-Q109 WeakPolarHBondContact O-CB 3.23Å; E105-Q109 VanDerWaalsContact O-CG 3.25Å; E105-Q109 WeakPolarHBondContact O-CG 3.25Å; E105-Q109 PolarHBondContact O-N 2.74Å; F106-Q109 PolarHBondContact O-N 2.91Å; Q109-S111 VanDerWaalsContact C-N 3.29Å |
| 110 | A | 91.8 | Very high | 93.7 | Very high | 7 Ų | 7 | 53.4 Ų | 53.4 | 6% | 0.058 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -71 | -30.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F106 | F106-A110 HydrophobicContact CD1-CB 4.2Å; F106-A110 HydrophobicContact CD2-CB 4.23Å; F106-A110 HydrophobicContact CE1-CB 3.8Å; F106-A110 HydrophobicContact CE2-CB 3.85Å; F106-A110 HydrophobicContact CG-CB 4.4Å; F106-A110 HydrophobicContact CZ-CB 3.61Å; F106-A110 WeakPolarHBondContact O-CA 3.42Å; F106-A110 WeakPolarHBondContact O-CB 3.42Å; F106-A110 PolarHBondContact O-N 2.85Å |
| 111 | S | 92.2 | Very high | 93.8 | Very high | 77 Ų | 77 | 51 Ų | 51 | 54% | 0.538 | 27% | 0.268 | S | S | . | . | trans | 45 | 55.8 | -175 | -68 | 0 | 0 | 0 | 0 | 111.6 | L107 I108 Q109 | L107-S111 WeakPolarHBondContact O-CA 3.28Å; L107-S111 PolarHBondContact O-N 3.39Å; L107-S111 VanDerWaalsContact O-N 3.11Å; I108-S111 PolarHBondContact O-OG 2.93Å; Q109-S111 VanDerWaalsContact C-N 3.29Å | ||
| 112 | P | 92.8 | Very high | 94.1 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | trans | -63 | 149 | 178 | 30.7 | -34.1 | 0 | 0 | 0 | 109.3 | L107 D114 P115 F118 | L107-P112 HydrophobicContact CD2-CG 3.78Å; L107-P112 WeakPolarHBondContact O-CD 3.49Å; P112-D114 VanDerWaalsContact C-N 3.3Å; P112-D114 PolarHBondContact O-N 3.18Å; P112-P115 HydrophobicContact CG-CB 4.4Å; P112-P115 HydrophobicContact CG-CG 4.35Å; P112-P115 WeakPolarHBondContact O-CD 3.44Å; P112-F118 HydrophobicContact CB-CB 4.3Å; P112-F118 HydrophobicContact CB-CD2 3.42Å; P112-F118 VanDerWaalsContact CB-CD2 3.42Å; P112-F118 HydrophobicContact CB-CE2 4.05Å; P112-F118 HydrophobicContact CB-CG 4.04Å; P112-F118 HydrophobicContact CG-CB 4.21Å; P112-F118 HydrophobicContact CG-CD2 4.01Å; P112-F118 HydrophobicContact CG-CG 4.14Å | ||
| 113 | R | 88.8 | Confident | 94.3 | Very high | 159 Ų | 159 | 47.1 Ų | 47.1 | 60% | 0.6 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -64.5 | -35.3 | -175.3 | 179.9 | 168.3 | 170.3 | -109.8 | -12.2 | 113.1 | Y183 | R113-Y183 PolarHBondContact NH2-OH 2.89Š|
| 114 | D | 92.8 | Very high | 94.4 | Very high | 69 Ų | 69 | 46.4 Ų | 46.4 | 37% | 0.369 | 24% | 0.238 | S | C | . | . | trans | -121.9 | 87.2 | 174 | -173.9 | -9.9 | 0 | 0 | 0 | 109.5 | P112 E116 N117 F118 | P112-D114 VanDerWaalsContact C-N 3.3Å; P112-D114 PolarHBondContact O-N 3.18Å; D114-E116 VanDerWaalsContact C-N 3.28Å; D114-E116 PolarHBondContact O-N 3.36Å; D114-E116 PolarHBondContact OD1-N 3.36Å; D114-N117 PolarHBondContact OD1-N 3.22Å; D114-N117 PolarHBondContact OD1-ND2 3.29Å; D114-N117 WeakPolarHBondContact OD2-CB 3.2Å; D114-N117 PolarHBondContact OD2-ND2 2.97Å; D114-F118 WeakPolarHBondContact O-CB 3.49Å; D114-F118 PolarHBondContact O-N 3.21Å | ||
| 115 | P | 93.4 | Very high | 94.6 | Very high | 51 Ų | 51 | 42.7 Ų | 42.7 | 33% | 0.331 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -30.9 | -178.3 | -25.7 | 36.1 | 0 | 0 | 0 | 114.5 | L107 P112 | L107-P115 HydrophobicContact CD2-CB 3.99Å; P112-P115 HydrophobicContact CG-CB 4.4Å; P112-P115 HydrophobicContact CG-CG 4.35Å; P112-P115 WeakPolarHBondContact O-CD 3.44Å |
| 116 | E | 91.2 | Very high | 95 | Very high | 128 Ų | 128 | 43.5 Ų | 43.5 | 60% | 0.598 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -33.5 | -175.1 | -69.1 | -59.8 | 142.3 | 0 | 0 | 111.8 | D114 N147 | D114-E116 VanDerWaalsContact C-N 3.28Å; D114-E116 PolarHBondContact O-N 3.36Å; D114-E116 PolarHBondContact OD1-N 3.36Å; E116-N147 PolarHBondContact O-ND2 3.41Å |
| 117 | N | 93.2 | Very high | 95.2 | Very high | 96 Ų | 96 | 45.5 Ų | 45.5 | 51% | 0.513 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -0.7 | 178.4 | -59.7 | -56.2 | 0 | 0 | 0 | 113.9 | D114 N147 | D114-N117 PolarHBondContact OD1-N 3.22Å; D114-N117 PolarHBondContact OD1-ND2 3.29Å; D114-N117 WeakPolarHBondContact OD2-CB 3.2Å; D114-N117 PolarHBondContact OD2-ND2 2.97Å; N117-N147 PolarHBondContact OD1-ND2 3.27Å |
| 118 | F | 97.6 | Very high | 95.4 | Very high | 10 Ų | 10 | 45.8 Ų | 45.8 | 4% | 0.044 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -55.6 | 131.3 | 176.5 | -174.9 | -89.4 | 0 | 0 | 0 | 110.8 | A81 C84 F106 P112 D114 F120 | A81-F118 HydrophobicContact CB-CZ 4.34Å; A81-F118 VanDerWaalsContact O-CE2 3.25Å; A81-F118 WeakPolarHBondContact O-CE2 3.35Å; C84-F118 HydrophobicContact CB-CE1 3.79Å; F106-F118 HydrophobicContact CD1-CD1 4.45Å; F106-F118 HydrophobicContact CD1-CE1 4.26Å; F106-F118 AromaticContact CE1-CD1 3.58Å; F106-F118 HydrophobicContact CE1-CD1 3.58Å; F106-F118 AromaticContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE1 3.18Å; F106-F118 HydrophobicContact CE1-CE2 4.23Å; F106-F118 HydrophobicContact CE1-CG 4.26Å; F106-F118 AromaticContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CE1-CZ 3.56Å; F106-F118 HydrophobicContact CZ-CD1 4.24Å; F106-F118 AromaticContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE1 3.39Å; F106-F118 HydrophobicContact CZ-CE2 4.21Å; F106-F118 AromaticContact CZ-CZ 3.37Å; F106-F118 HydrophobicContact CZ-CZ 3.37Å; P112-F118 HydrophobicContact CB-CB 4.3Å; P112-F118 HydrophobicContact CB-CD2 3.42Å; P112-F118 VanDerWaalsContact CB-CD2 3.42Å; P112-F118 HydrophobicContact CB-CE2 4.05Å; P112-F118 HydrophobicContact CB-CG 4.04Å; P112-F118 HydrophobicContact CG-CB 4.21Å; P112-F118 HydrophobicContact CG-CD2 4.01Å; P112-F118 HydrophobicContact CG-CG 4.14Å; D114-F118 WeakPolarHBondContact O-CB 3.49Å; D114-F118 PolarHBondContact O-N 3.21Å; F118-F120 HydrophobicContact CB-CE2 4.26Å; F118-F120 HydrophobicContact CD1-CD2 4.01Å; F118-F120 AromaticContact CD1-CE2 3.65Å; F118-F120 HydrophobicContact CD1-CE2 3.65Å; F118-F120 AromaticContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CG-CE2 4.4Å; F118-F120 VanDerWaalsContact O-CD2 3.24Å; F118-F120 WeakPolarHBondContact O-CD2 3.14Å; F118-F120 PolarHBondContact O-N 2.89Å |
| 119 | P | 98 | Very high | 95.6 | Very high | 16 Ų | 16 | 43.4 Ų | 43.4 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | trans | -72.4 | 116.7 | -174.6 | 28.3 | -36.4 | 0 | 0 | 0 | 112 | D82 C83 C84 N172 Q176 | D82-P119 WeakPolarHBondContact O-CG 2.96Å; C83-P119 WeakPolarHBondContact CA-O 3.4Å; C83-P119 HydrophobicContact CB-CG 4.22Å; C83-P119 PolarHBondContact SG-O 3.23Å; C83-P119 VanDerWaalsContact SG-O 3.36Å; C84-P119 PolarHBondContact N-O 3.18Å; P119-N172 HydrophobicContact CB-CB 3.83Å; P119-Q176 HydrophobicContact CG-CB 3.82Å; P119-Q176 HydrophobicContact CG-CG 4.11Å | ||
| 120 | F | 98.6 | Very high | 95.7 | Very high | 6 Ų | 6 | 49.4 Ų | 49.4 | 3% | 0.026 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 156.5 | 164.6 | -70.1 | -89.1 | 0 | 0 | 0 | 110.5 | C84 L86 R103 F106 L107 F118 I149 P150 | C84-F120 HydrophobicContact CB-CD1 3.6Å; C84-F120 HydrophobicContact CB-CE1 3.57Å; C84-F120 HydrophobicContact CB-CZ 4.48Å; C84-F120 CarbonylContact O-C 3.58Å; C84-F120 VanDerWaalsContact O-CA 3.23Å; C84-F120 WeakPolarHBondContact O-CA 3.49Å; L86-F120 HydrophobicContact CD1-CD1 3.92Å; L86-F120 HydrophobicContact CD1-CE1 4.42Å; L86-F120 HydrophobicContact CD2-CD1 4.46Å; L86-F120 HydrophobicContact CG-CD1 4.04Å; R103-F120 HydrophobicContact CG-CE1 4.07Å; R103-F120 HydrophobicContact CG-CE2 4.34Å; R103-F120 HydrophobicContact CG-CZ 3.88Å; F106-F120 HydrophobicContact CB-CE1 4.5Å; F106-F120 AromaticContact CD1-CE1 3.77Å; F106-F120 HydrophobicContact CD1-CE1 3.77Å; F106-F120 AromaticContact CD1-CZ 3.57Å; F106-F120 HydrophobicContact CD1-CZ 3.57Å; F106-F120 HydrophobicContact CE1-CE1 4.36Å; F106-F120 HydrophobicContact CE1-CZ 4.09Å; F106-F120 HydrophobicContact CG-CE1 4.27Å; F106-F120 HydrophobicContact CG-CZ 4.44Å; L107-F120 HydrophobicContact CD2-CE2 3.88Å; L107-F120 HydrophobicContact CD2-CZ 3.73Å; L107-F120 HydrophobicContact CG-CE2 4.39Å; L107-F120 HydrophobicContact CG-CZ 3.97Å; F118-F120 HydrophobicContact CB-CE2 4.26Å; F118-F120 HydrophobicContact CD1-CD2 4.01Å; F118-F120 AromaticContact CD1-CE2 3.65Å; F118-F120 HydrophobicContact CD1-CE2 3.65Å; F118-F120 AromaticContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CD1-CZ 3.94Å; F118-F120 HydrophobicContact CG-CE2 4.4Å; F118-F120 VanDerWaalsContact O-CD2 3.24Å; F118-F120 WeakPolarHBondContact O-CD2 3.14Å; F118-F120 PolarHBondContact O-N 2.89Å; F120-I149 VanDerWaalsContact C-CG2 3.48Å; F120-I149 HydrophobicContact CB-CD1 3.91Å; F120-I149 HydrophobicContact CB-CG1 4.3Å; F120-I149 HydrophobicContact CB-CG2 3.69Å; F120-I149 VanDerWaalsContact O-CG2 3.27Å; F120-I149 WeakPolarHBondContact O-CG2 3.33Å; F120-P150 WeakPolarHBondContact O-CD 3.32Å |
| 121 | V | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 134.8 | 164.1 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | C84 V85 L86 L123 P150 F152 I169 | C84-V121 PolarHBondContact O-N 2.85Å; V85-V121 CarbonylContact C-O 3.59Å; V85-V121 WeakPolarHBondContact CA-O 3.23Å; L86-V121 PolarHBondContact N-O 2.85Å; V121-L123 HydrophobicContact CG1-CD2 3.98Å; V121-P150 HydrophobicContact CG1-CB 4.49Å; V121-P150 HydrophobicContact CG2-CB 4.39Å; V121-P150 HydrophobicContact CG2-CG 4.5Å; V121-F152 HydrophobicContact CG1-CD2 3.85Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V121-I169 HydrophobicContact CB-CD1 4.4Å; V121-I169 HydrophobicContact CB-CG1 3.76Å; V121-I169 HydrophobicContact CG1-CD1 4.29Å; V121-I169 HydrophobicContact CG1-CG1 3.94Å; V121-I169 HydrophobicContact CG2-CG1 3.64Å |
| 122 | V | 98.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 131.9 | 177.6 | -179 | 0 | 0 | 0 | 0 | 111.1 | L86 F88 L99 W142 I149 P150 Y151 F152 | L86-V122 HydrophobicContact CB-CG2 4.34Å; L86-V122 CarbonylContact O-C 3.49Å; L86-V122 WeakPolarHBondContact O-CA 3.43Å; F88-V122 HydrophobicContact CD1-CG1 3.98Å; F88-V122 HydrophobicContact CE1-CG1 3.78Å; L99-V122 HydrophobicContact CD1-CG1 4.28Å; V122-W142 HydrophobicContact CG2-CE3 4.38Å; V122-W142 HydrophobicContact CG2-CZ3 3.69Å; V122-I149 HydrophobicContact CG2-CG2 3.93Å; V122-P150 PolarHBondContact N-O 2.88Å; V122-Y151 HydrophobicContact CB-CD2 3.97Å; V122-Y151 HydrophobicContact CG1-CD2 3.79Å; V122-Y151 HydrophobicContact CG1-CE2 4.16Å; V122-Y151 WeakPolarHBondContact O-CA 3.09Å; V122-Y151 WeakPolarHBondContact O-CD2 3.49Å; V122-F152 PolarHBondContact O-N 3.17Å |
| 123 | L | 98.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 114.5 | 174.9 | -50.4 | -176.4 | 0 | 0 | 0 | 110.5 | L24 V85 L86 V87 F88 V121 N125 F152 T154 A165 | L24-L123 HydrophobicContact CD1-CD1 3.89Å; V85-L123 HydrophobicContact CG1-CD1 3.5Å; V85-L123 VanDerWaalsContact CG1-CD1 3.5Å; V85-L123 HydrophobicContact CG1-CG 3.66Å; L86-L123 PolarHBondContact O-N 2.95Å; V87-L123 WeakPolarHBondContact CA-O 3.4Å; V87-L123 HydrophobicContact CG1-CB 4.42Å; V87-L123 HydrophobicContact CG2-CB 4.27Å; V87-L123 HydrophobicContact CG2-CD1 4.31Å; F88-L123 WeakPolarHBondContact CD1-O 3.34Å; F88-L123 PolarHBondContact N-O 3.37Å; V121-L123 HydrophobicContact CG1-CD2 3.98Å; L123-N125 PolarHBondContact O-N 2.57Å; L123-F152 CarbonylContact C-O 3.56Å; L123-F152 WeakPolarHBondContact CA-O 3.26Å; L123-F152 HydrophobicContact CD2-CB 3.85Å; L123-F152 HydrophobicContact CD2-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CG 4.42Å; L123-T154 HydrophobicContact CD2-CG2 4.2Å; L123-A165 HydrophobicContact CD2-CB 3.62Å |
| 124 | G | 98.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 96.2 | 166.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | F88 F152 E153 T154 | F88-G124 VanDerWaalsContact CE1-CA 3.43Å; G124-F152 PolarHBondContact N-O 2.86Å; G124-E153 CarbonylContact O-C 3.55Å; G124-E153 WeakPolarHBondContact O-CA 3.48Å; G124-T154 PolarHBondContact O-N 2.85Å |
| 125 | N | 98.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 51.7 Ų | 51.7 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 165.3 | -172.2 | -168.3 | 39 | 0 | 0 | 0 | 112.7 | V19 L24 V87 F88 V90 L123 T154 A156 | V19-N125 PolarHBondContact O-ND2 3.43Å; L24-N125 HydrophobicContact CD1-CB 4.24Å; V87-N125 HydrophobicContact CG1-CB 4.04Å; F88-N125 PolarHBondContact O-N 2.98Å; V90-N125 WeakPolarHBondContact CG2-O 3.28Å; V90-N125 PolarHBondContact N-O 3.27Å; L123-N125 PolarHBondContact O-N 2.57Å; N125-T154 CarbonylContact C-O 3.58Å; N125-T154 VanDerWaalsContact CA-O 3.28Å; N125-T154 WeakPolarHBondContact CA-O 3.26Å; N125-T154 PolarHBondContact OD1-O 3.24Å; N125-T154 PolarHBondContact OD1-OG1 2.59Å; N125-A156 PolarHBondContact OD1-N 3.23Å |
| 126 | K | 98.5 | Very high | 97.3 | Very high | 53 Ų | 53 | 51.2 Ų | 51.2 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | trans | 69.4 | 37.2 | 178.7 | -45.5 | -168.8 | -163.4 | 167.3 | 0 | 114.5 | G18 V19 D89 D128 L129 T154 | G18-K126 VanDerWaalsContact O-CE 3.27Å; G18-K126 WeakPolarHBondContact O-CE 3.31Å; G18-K126 PolarHBondContact O-NZ 3.23Å; V19-K126 WeakPolarHBondContact O-CE 3.26Å; D89-K126 VanDerWaalsContact OD2-CD 3.27Å; D89-K126 WeakPolarHBondContact OD2-CD 3.34Å; D89-K126 WeakPolarHBondContact OD2-CE 3.33Å; D89-K126 IonicContact OD2-NZ 2.68Å; D89-K126 PolarHBondContact OD2-NZ 2.97Å; K126-D128 WeakPolarHBondContact CA-OD1 3.4Å; K126-D128 PolarHBondContact O-N 2.89Å; K126-L129 HydrophobicContact CB-CD1 3.96Å; K126-L129 HydrophobicContact CB-CG 4.26Å; K126-L129 HydrophobicContact CD-CD1 4.07Å; K126-L129 PolarHBondContact O-N 3.03Å; K126-L129 VanDerWaalsContact O-N 3.17Å; K126-T154 PolarHBondContact N-O 3.46Å | ||
| 127 | I | 98.6 | Very high | 97.6 | Very high | 42 Ų | 42 | 52.4 Ų | 52.4 | 22% | 0.215 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -11.6 | 176 | 68.8 | 178.2 | 0 | 0 | 0 | 114.1 | V90 L129 E153 T154 I160 | V90-I127 HydrophobicContact CG1-CG2 4.09Å; V90-I127 HydrophobicContact CG2-CG2 4.17Å; I127-L129 PolarHBondContact O-N 2.77Å; I127-E153 HydrophobicContact CD1-CB 4.16Å; I127-E153 HydrophobicContact CG2-CB 3.85Å; I127-E153 HydrophobicContact CG2-CG 4.27Å; I127-T154 PolarHBondContact N-O 3.04Å; I127-I160 HydrophobicContact CD1-CB 4.3Å; I127-I160 HydrophobicContact CD1-CG2 3.81Å |
| 128 | D | 98.3 | Very high | 97.9 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 19% | 0.187 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -12.2 | 171 | 56.1 | -78.2 | 0 | 0 | 0 | 113.3 | K126 S155 K157 E158 | K126-D128 WeakPolarHBondContact CA-OD1 3.4Å; K126-D128 PolarHBondContact O-N 2.89Å; D128-S155 VanDerWaalsContact CG-OG 3.25Å; D128-S155 VanDerWaalsContact OD1-CB 3.29Å; D128-S155 WeakPolarHBondContact OD1-CB 3.46Å; D128-S155 PolarHBondContact OD1-OG 2.9Å; D128-K157 WeakPolarHBondContact OD2-CD 3.43Å; D128-K157 IonicContact OD2-NZ 3.53Å; D128-E158 HydrophobicContact CB-CG 3.93Å |
| 129 | L | 97.2 | Very high | 97.9 | Very high | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.335 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -92 | 133.2 | 177.8 | -58.5 | -179.1 | 0 | 0 | 0 | 111.3 | T91 K126 I127 N131 | T91-L129 HydrophobicContact CG2-CB 3.67Å; T91-L129 HydrophobicContact CG2-CD1 3.83Å; T91-L129 HydrophobicContact CG2-CG 4.37Å; K126-L129 HydrophobicContact CB-CD1 3.96Å; K126-L129 HydrophobicContact CB-CG 4.26Å; K126-L129 HydrophobicContact CD-CD1 4.07Å; K126-L129 PolarHBondContact O-N 3.03Å; K126-L129 VanDerWaalsContact O-N 3.17Å; I127-L129 PolarHBondContact O-N 2.77Å; L129-N131 VanDerWaalsContact C-N 3.35Å; L129-N131 PolarHBondContact O-N 3.45Å |
| 130 | E | 92.4 | Very high | 97.9 | Very high | 199 Ų | 199 | 56.7 Ų | 56.7 | 93% | 0.93 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -71.4 | -25.7 | -175.8 | -62.6 | -177.1 | 170.4 | 0 | 0 | 113.7 | R132 | E130-R132 PolarHBondContact O-N 2.97Š|
| 131 | N | 94.9 | Very high | 97.9 | Very high | 95 Ų | 95 | 60.8 Ų | 60.8 | 51% | 0.508 | 29% | 0.29 | S | S | . | . | trans | -84.3 | 47 | -175.4 | 66.5 | -37.8 | 0 | 0 | 0 | 113.2 | T91 L129 Q133 | T91-N131 WeakPolarHBondContact CG2-OD1 3.39Å; L129-N131 VanDerWaalsContact C-N 3.35Å; L129-N131 PolarHBondContact O-N 3.45Å; N131-Q133 PolarHBondContact O-N 3.13Å | ||
| 132 | R | 97.9 | Very high | 97.9 | Very high | 93 Ų | 93 | 62 Ų | 62 | 35% | 0.351 | 30% | 0.295 | S | S | . | . | trans | -58.1 | 132.9 | 175.3 | 173.4 | 177.5 | -76.5 | -164.8 | -5.5 | 110.9 | V90 E130 V134 T136 E153 | V90-R132 HydrophobicContact CB-CG 4.43Å; E130-R132 PolarHBondContact O-N 2.97Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.47Å; R132-T136 PolarHBondContact NH1-OG1 2.79Å; R132-E153 IonicContact CZ-OE1 2.74Å; R132-E153 IonicContact CZ-OE2 3.79Å; R132-E153 IonicContact NH1-OE1 3.54Å; R132-E153 PolarHBondContact NH1-OE1 3.28Å; R132-E153 IonicContact NH1-OE2 3.87Å; R132-E153 PolarHBondContact NH1-OE2 2.97Å; R132-E153 IonicContact NH2-OE1 3.42Å; R132-E153 PolarHBondContact NH2-OE1 2.8Å; R132-E153 IonicContact NH2-OE2 2.69Å; R132-E153 PolarHBondContact NH2-OE2 3.33Å | ||
| 133 | Q | 98.3 | Very high | 97.9 | Very high | 118 Ų | 118 | 62.2 Ų | 62.2 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | trans | -122.3 | -13.6 | 176.6 | -59.3 | -168.9 | 33.5 | 0 | 0 | 113.5 | V90 T91 P93 N131 | V90-Q133 PolarHBondContact O-N 3.16Å; T91-Q133 WeakPolarHBondContact O-CG 3.05Å; T91-Q133 PolarHBondContact O-NE2 2.91Å; T91-Q133 VanDerWaalsContact O-NE2 3.17Å; P93-Q133 HydrophobicContact CG-CB 3.43Å; P93-Q133 VanDerWaalsContact CG-CB 3.43Å; P93-Q133 HydrophobicContact CG-CG 4.4Å; N131-Q133 PolarHBondContact O-N 3.13Å | ||
| 134 | V | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -104.1 | 111.3 | 173.8 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | F88 V90 P93 F96 R132 | F88-V134 HydrophobicContact CD2-CG2 4.42Å; F88-V134 HydrophobicContact CE2-CB 3.94Å; F88-V134 HydrophobicContact CE2-CG1 3.73Å; F88-V134 HydrophobicContact CE2-CG2 4.15Å; F88-V134 HydrophobicContact CZ-CG1 4.23Å; V90-V134 PolarHBondContact O-N 3.29Å; P93-V134 HydrophobicContact CB-CG2 4.32Å; P93-V134 HydrophobicContact CG-CG2 4.4Å; F96-V134 HydrophobicContact CB-CG1 4.34Å; F96-V134 HydrophobicContact CB-CG2 4.06Å; F96-V134 HydrophobicContact CD1-CG1 4.38Å; F96-V134 HydrophobicContact CD2-CG1 4.12Å; F96-V134 HydrophobicContact CG-CG1 4Å; R132-V134 WeakPolarHBondContact CD-O 3.48Å; R132-V134 WeakPolarHBondContact CG-O 3.47Å |
| 135 | P | 98.1 | Very high | 97.8 | Very high | 72 Ų | 72 | 71.4 Ų | 71.4 | 47% | 0.468 | 35% | 0.348 | S | S | . | . | trans | -66.9 | 138.3 | 177 | -21.2 | 33.2 | 0 | 0 | 0 | 111.9 | K137 R138 A139 | P135-K137 PolarHBondContact O-N 3.43Å; P135-R138 HydrophobicContact CB-CB 4.37Å; P135-R138 VanDerWaalsContact O-CB 3.31Å; P135-R138 WeakPolarHBondContact O-CB 3.41Å; P135-R138 PolarHBondContact O-N 2.72Å; P135-A139 PolarHBondContact O-N 3.26Å | ||
| 136 | T | 98.2 | Very high | 97.7 | Very high | 41 Ų | 41 | 73.6 Ų | 73.6 | 25% | 0.252 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -48.9 | -46.6 | 176.4 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | R132 R138 A139 Q140 Y151 E153 | R132-T136 PolarHBondContact NH1-OG1 2.79Å; T136-R138 VanDerWaalsContact C-N 3.25Å; T136-R138 PolarHBondContact O-N 2.98Å; T136-A139 PolarHBondContact O-N 2.93Å; T136-A139 VanDerWaalsContact O-N 3.15Å; T136-Q140 HydrophobicContact CG2-CG 4.3Å; T136-Q140 WeakPolarHBondContact O-CG 3.4Å; T136-Q140 PolarHBondContact O-N 2.81Å; T136-Y151 HydrophobicContact CG2-CE1 4.16Å; T136-E153 VanDerWaalsContact CB-OE1 3.28Å; T136-E153 WeakPolarHBondContact CB-OE1 2.91Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.34Å; T136-E153 PolarHBondContact OG1-OE1 2.97Å |
| 137 | K | 98.2 | Very high | 97.5 | Very high | 152 Ų | 152 | 75.3 Ų | 75.3 | 66% | 0.661 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -58.7 | -36.7 | -179.9 | -172.3 | 175.2 | -177.3 | 178 | 0 | 112.4 | P135 L141 | P135-K137 PolarHBondContact O-N 3.43Å; K137-L141 HydrophobicContact CG-CD1 4.17Å; K137-L141 HydrophobicContact CG-CG 4.49Å; K137-L141 WeakPolarHBondContact O-CB 3.44Å; K137-L141 VanDerWaalsContact O-CG 3.23Å; K137-L141 WeakPolarHBondContact O-CG 3.42Å; K137-L141 PolarHBondContact O-N 2.81Å |
| 138 | R | 98.3 | Very high | 97.4 | Very high | 125 Ų | 125 | 79 Ų | 79 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -66.3 | -45.2 | 178.1 | -178.2 | -179.3 | 177.2 | 160.1 | 3 | 110.9 | F96 P135 T136 W142 | F96-R138 HydrophobicContact CE1-CG 4.04Å; F96-R138 HydrophobicContact CZ-CG 4.39Å; P135-R138 HydrophobicContact CB-CB 4.37Å; P135-R138 VanDerWaalsContact O-CB 3.31Å; P135-R138 WeakPolarHBondContact O-CB 3.41Å; P135-R138 PolarHBondContact O-N 2.72Å; T136-R138 VanDerWaalsContact C-N 3.25Å; T136-R138 PolarHBondContact O-N 2.98Å; R138-W142 PolarHBondContact O-N 3.15Å |
| 139 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -65.6 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | F88 F96 P135 T136 L141 W142 C143 Y151 | F88-A139 HydrophobicContact CE1-CB 4.32Å; F88-A139 HydrophobicContact CZ-CB 3.86Å; F96-A139 HydrophobicContact CD2-CB 4.49Å; F96-A139 HydrophobicContact CE2-CB 3.77Å; F96-A139 HydrophobicContact CZ-CB 4.34Å; P135-A139 PolarHBondContact O-N 3.26Å; T136-A139 PolarHBondContact O-N 2.93Å; T136-A139 VanDerWaalsContact O-N 3.15Å; A139-L141 PolarHBondContact O-N 3.43Å; A139-W142 PolarHBondContact O-N 3.31Å; A139-C143 PolarHBondContact O-N 3.01Å; A139-C143 PolarHBondContact O-SG 3.43Å; A139-Y151 HydrophobicContact CB-CD1 4.43Å; A139-Y151 HydrophobicContact CB-CE1 3.79Å; A139-Y151 HydrophobicContact CB-CE2 3.92Å |
| 140 | Q | 98.4 | Very high | 97.5 | Very high | 88 Ų | 88 | 77 Ų | 77 | 41% | 0.411 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -59.9 | -46 | 175.8 | -73.7 | 173.7 | -26.1 | 0 | 0 | 112.6 | T136 W142 C143 Q144 Y151 | T136-Q140 HydrophobicContact CG2-CG 4.3Å; T136-Q140 WeakPolarHBondContact O-CG 3.4Å; T136-Q140 PolarHBondContact O-N 2.81Å; Q140-W142 VanDerWaalsContact C-N 3.32Å; Q140-W142 PolarHBondContact O-N 3.19Å; Q140-C143 PolarHBondContact O-N 3.5Å; Q140-Q144 WeakPolarHBondContact O-CG 3.4Å; Q140-Q144 PolarHBondContact O-N 2.67Å; Q140-Y151 HydrophobicContact CG-CD1 3.66Å; Q140-Y151 HydrophobicContact CG-CE1 4.11Å |
| 141 | L | 98.6 | Very high | 97.8 | Very high | 92 Ų | 92 | 69.2 Ų | 69.2 | 48% | 0.482 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 178 | -74.7 | 170.5 | 0 | 0 | 0 | 112.1 | K137 A139 Q144 S145 | K137-L141 HydrophobicContact CG-CD1 4.17Å; K137-L141 HydrophobicContact CG-CG 4.49Å; K137-L141 WeakPolarHBondContact O-CB 3.44Å; K137-L141 VanDerWaalsContact O-CG 3.23Å; K137-L141 WeakPolarHBondContact O-CG 3.42Å; K137-L141 PolarHBondContact O-N 2.81Å; A139-L141 PolarHBondContact O-N 3.43Å; L141-Q144 PolarHBondContact O-N 3.42Å; L141-S145 PolarHBondContact O-N 2.82Å |
| 142 | W | 98.5 | Very high | 98 | Very high | 26 Ų | 26 | 66.7 Ų | 66.7 | 10% | 0.098 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.4 | -46.3 | 174.5 | -176.4 | 94 | 0 | 0 | 0 | 111 | L86 F96 L99 D100 V122 R138 A139 Q140 Q144 S145 K146 I149 | L86-W142 HydrophobicContact CD1-CH2 4.04Å; F96-W142 HydrophobicContact CE2-CB 4.44Å; F96-W142 HydrophobicContact CZ-CB 3.7Å; F96-W142 AromaticContact CZ-CG 3.97Å; F96-W142 HydrophobicContact CZ-CG 3.97Å; L99-W142 HydrophobicContact CB-CH2 3.97Å; L99-W142 HydrophobicContact CB-CZ2 3.82Å; D100-W142 PolarHBondContact OD1-NE1 3.31Å; D100-W142 PolarHBondContact OD2-NE1 3.18Å; V122-W142 HydrophobicContact CG2-CE3 4.38Å; V122-W142 HydrophobicContact CG2-CZ3 3.69Å; R138-W142 PolarHBondContact O-N 3.15Å; A139-W142 PolarHBondContact O-N 3.31Å; Q140-W142 VanDerWaalsContact C-N 3.32Å; Q140-W142 PolarHBondContact O-N 3.19Å; W142-Q144 VanDerWaalsContact C-N 3.33Å; W142-Q144 PolarHBondContact O-N 3.17Å; W142-S145 PolarHBondContact O-N 3Å; W142-S145 VanDerWaalsContact O-N 3.13Å; W142-S145 PolarHBondContact O-OG 3.25Å; W142-K146 HydrophobicContact CD2-CG 4.18Å; W142-K146 HydrophobicContact CE3-CG 4.27Å; W142-K146 HydrophobicContact CH2-CG 4.16Å; W142-K146 HydrophobicContact CZ2-CG 4.07Å; W142-K146 HydrophobicContact CZ3-CG 4.23Å; W142-K146 WeakPolarHBondContact O-CG 3.39Å; W142-K146 PolarHBondContact O-N 2.92Å; W142-I149 HydrophobicContact CH2-CD1 4.4Å; W142-I149 HydrophobicContact CZ3-CD1 3.95Å |
| 143 | C | 98.4 | Very high | 98 | Very high | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.02 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 178.8 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | A139 Q140 S145 K146 N148 I149 | A139-C143 PolarHBondContact O-N 3.01Å; A139-C143 PolarHBondContact O-SG 3.43Å; Q140-C143 PolarHBondContact O-N 3.5Å; C143-S145 VanDerWaalsContact C-N 3.35Å; C143-S145 PolarHBondContact O-N 2.85Å; C143-K146 PolarHBondContact O-N 3.01Å; C143-N148 WeakPolarHBondContact O-CA 3.47Å; C143-N148 PolarHBondContact O-N 3.27Å; C143-I149 HydrophobicContact CB-CB 4.15Å; C143-I149 VanDerWaalsContact CB-O 3.32Å; C143-I149 WeakPolarHBondContact CB-O 3.47Å; C143-I149 PolarHBondContact O-N 3.45Å |
| 144 | Q | 98 | Very high | 98.1 | Very high | 109 Ų | 109 | 58.4 Ų | 58.4 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 173.2 | -73.4 | 170.5 | 2.2 | 0 | 0 | 111.8 | Q140 L141 W142 K146 N148 | Q140-Q144 WeakPolarHBondContact O-CG 3.4Å; Q140-Q144 PolarHBondContact O-N 2.67Å; L141-Q144 PolarHBondContact O-N 3.42Å; W142-Q144 VanDerWaalsContact C-N 3.33Å; W142-Q144 PolarHBondContact O-N 3.17Å; Q144-K146 PolarHBondContact O-N 3.04Å; Q144-K146 VanDerWaalsContact O-N 3.16Å; Q144-N148 PolarHBondContact O-N 3.44Å |
| 145 | S | 97.6 | Very high | 98.1 | Very high | 85 Ų | 85 | 58.3 Ų | 58.3 | 59% | 0.594 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -65.6 | -15.7 | 178.8 | 76.3 | 0 | 0 | 0 | 0 | 114.4 | L141 W142 C143 | L141-S145 PolarHBondContact O-N 2.82Å; W142-S145 PolarHBondContact O-N 3Å; W142-S145 VanDerWaalsContact O-N 3.13Å; W142-S145 PolarHBondContact O-OG 3.25Å; C143-S145 VanDerWaalsContact C-N 3.35Å; C143-S145 PolarHBondContact O-N 2.85Å |
| 146 | K | 96.3 | Very high | 98.1 | Very high | 51 Ų | 51 | 55 Ų | 55 | 22% | 0.222 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | 42.1 | -177.1 | -60.2 | -66.4 | -174.1 | 169.2 | 0 | 112.4 | D100 R103 W142 C143 Q144 I149 | D100-K146 WeakPolarHBondContact OD1-CE 3.17Å; D100-K146 IonicContact OD1-NZ 2.62Å; D100-K146 PolarHBondContact OD1-NZ 3.01Å; R103-K146 PolarHBondContact NH1-O 2.97Å; W142-K146 HydrophobicContact CD2-CG 4.18Å; W142-K146 HydrophobicContact CE3-CG 4.27Å; W142-K146 HydrophobicContact CH2-CG 4.16Å; W142-K146 HydrophobicContact CZ2-CG 4.07Å; W142-K146 HydrophobicContact CZ3-CG 4.23Å; W142-K146 WeakPolarHBondContact O-CG 3.39Å; W142-K146 PolarHBondContact O-N 2.92Å; C143-K146 PolarHBondContact O-N 3.01Å; Q144-K146 PolarHBondContact O-N 3.04Å; Q144-K146 VanDerWaalsContact O-N 3.16Å; K146-I149 HydrophobicContact CB-CD1 3.51Å; K146-I149 HydrophobicContact CB-CG1 3.88Å; K146-I149 HydrophobicContact CG-CD1 4.42Å; K146-I149 WeakPolarHBondContact O-CG1 3.37Å |
| 147 | N | 95.3 | Very high | 98.1 | Very high | 89 Ų | 89 | 57.7 Ų | 57.7 | 48% | 0.476 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 43 | -177.2 | -157.7 | 25.3 | 0 | 0 | 0 | 113.5 | E116 N117 I149 | E116-N147 PolarHBondContact O-ND2 3.41Å; N117-N147 PolarHBondContact OD1-ND2 3.27Å; N147-I149 PolarHBondContact O-N 3.38Å |
| 148 | N | 96.8 | Very high | 98.1 | Very high | 118 Ų | 118 | 55.7 Ų | 55.7 | 63% | 0.631 | 27% | 0.273 | S | S | * | . | S | Bend | trans | 54.2 | 47.3 | 176.4 | -63.8 | -49.2 | 0 | 0 | 0 | 114.6 | C143 Q144 | C143-N148 WeakPolarHBondContact O-CA 3.47Å; C143-N148 PolarHBondContact O-N 3.27Å; Q144-N148 PolarHBondContact O-N 3.44Å |
| 149 | I | 98.3 | Very high | 98.1 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 7% | 0.072 | 27% | 0.27 | C | S | . | . | trans | -56.6 | 133 | 176.5 | -51 | -179.4 | 0 | 0 | 0 | 109.9 | R103 F120 V122 W142 C143 K146 N147 Y151 | R103-I149 VanDerWaalsContact NH1-CD1 3.34Å; F120-I149 VanDerWaalsContact C-CG2 3.48Å; F120-I149 HydrophobicContact CB-CD1 3.91Å; F120-I149 HydrophobicContact CB-CG1 4.3Å; F120-I149 HydrophobicContact CB-CG2 3.69Å; F120-I149 VanDerWaalsContact O-CG2 3.27Å; F120-I149 WeakPolarHBondContact O-CG2 3.33Å; V122-I149 HydrophobicContact CG2-CG2 3.93Å; W142-I149 HydrophobicContact CH2-CD1 4.4Å; W142-I149 HydrophobicContact CZ3-CD1 3.95Å; C143-I149 HydrophobicContact CB-CB 4.15Å; C143-I149 VanDerWaalsContact CB-O 3.32Å; C143-I149 WeakPolarHBondContact CB-O 3.47Å; C143-I149 PolarHBondContact O-N 3.45Å; K146-I149 HydrophobicContact CB-CD1 3.51Å; K146-I149 HydrophobicContact CB-CG1 3.88Å; K146-I149 HydrophobicContact CG-CD1 4.42Å; K146-I149 WeakPolarHBondContact O-CG1 3.37Å; N147-I149 PolarHBondContact O-N 3.38Å; I149-Y151 PolarHBondContact O-N 3.11Å | ||
| 150 | P | 98.6 | Very high | 98.1 | Very high | 43 Ų | 43 | 55 Ų | 55 | 28% | 0.279 | 29% | 0.285 | S | S | . | . | trans | -58.7 | 134.4 | 170.5 | -25.1 | 34.7 | 0 | 0 | 0 | 112.1 | F120 V121 V122 F152 T168 | F120-P150 WeakPolarHBondContact O-CD 3.32Å; V121-P150 HydrophobicContact CG1-CB 4.49Å; V121-P150 HydrophobicContact CG2-CB 4.39Å; V121-P150 HydrophobicContact CG2-CG 4.5Å; V122-P150 PolarHBondContact N-O 2.88Å; P150-F152 HydrophobicContact CB-CE2 4.02Å; P150-T168 HydrophobicContact CB-CG2 4.17Å; P150-T168 HydrophobicContact CG-CG2 4.31Å | ||
| 151 | Y | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 53.5 Ų | 53.5 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 131.2 | 180 | 174.3 | -123.2 | 0 | 0 | 0 | 111.3 | F88 V122 T136 A139 Q140 I149 E153 | F88-Y151 AromaticContact CE1-CE2 3.75Å; F88-Y151 HydrophobicContact CE1-CE2 3.75Å; F88-Y151 AromaticContact CZ-CE2 3.98Å; F88-Y151 HydrophobicContact CZ-CE2 3.98Å; V122-Y151 HydrophobicContact CB-CD2 3.97Å; V122-Y151 HydrophobicContact CG1-CD2 3.79Å; V122-Y151 HydrophobicContact CG1-CE2 4.16Å; V122-Y151 WeakPolarHBondContact O-CA 3.09Å; V122-Y151 WeakPolarHBondContact O-CD2 3.49Å; T136-Y151 HydrophobicContact CG2-CE1 4.16Å; A139-Y151 HydrophobicContact CB-CD1 4.43Å; A139-Y151 HydrophobicContact CB-CE1 3.79Å; A139-Y151 HydrophobicContact CB-CE2 3.92Å; Q140-Y151 HydrophobicContact CG-CD1 3.66Å; Q140-Y151 HydrophobicContact CG-CE1 4.11Å; I149-Y151 PolarHBondContact O-N 3.11Å; Y151-E153 HydrophobicContact CE1-CG 3.89Å; Y151-E153 VanDerWaalsContact OH-CG 3.25Å; Y151-E153 WeakPolarHBondContact OH-CG 3.14Å; Y151-E153 PolarHBondContact OH-OE1 2.79Å |
| 152 | F | 98.9 | Very high | 98.1 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 139 | 174.6 | -62.1 | -93.4 | 0 | 0 | 0 | 110.8 | V121 V122 L123 G124 P150 T154 Q164 A165 T168 | V121-F152 HydrophobicContact CG1-CD2 3.85Å; V121-F152 HydrophobicContact CG1-CE2 4.04Å; V122-F152 PolarHBondContact O-N 3.17Å; L123-F152 CarbonylContact C-O 3.56Å; L123-F152 WeakPolarHBondContact CA-O 3.26Å; L123-F152 HydrophobicContact CD2-CB 3.85Å; L123-F152 HydrophobicContact CD2-CD2 4.2Å; L123-F152 HydrophobicContact CD2-CG 4.42Å; G124-F152 PolarHBondContact N-O 2.86Å; P150-F152 HydrophobicContact CB-CE2 4.02Å; F152-T154 HydrophobicContact CB-CG2 4.08Å; F152-Q164 HydrophobicContact CE1-CB 4.44Å; F152-A165 HydrophobicContact CB-CB 4.05Å; F152-A165 HydrophobicContact CD1-CB 4.25Å; F152-A165 HydrophobicContact CD2-CB 3.99Å; F152-A165 HydrophobicContact CG-CB 3.82Å; F152-T168 HydrophobicContact CE2-CG2 4.01Å; F152-T168 HydrophobicContact CZ-CG2 4.05Å; F152-T168 VanDerWaalsContact CZ-OG1 3.29Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.26Å |
| 153 | E | 98.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 51 Ų | 51 | 17% | 0.173 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 120.6 | 166.9 | -80.4 | -166.8 | 171.1 | 0 | 0 | 108.6 | G124 I127 R132 T136 Y151 N161 | G124-E153 CarbonylContact O-C 3.55Å; G124-E153 WeakPolarHBondContact O-CA 3.48Å; I127-E153 HydrophobicContact CD1-CB 4.16Å; I127-E153 HydrophobicContact CG2-CB 3.85Å; I127-E153 HydrophobicContact CG2-CG 4.27Å; R132-E153 IonicContact CZ-OE1 2.74Å; R132-E153 IonicContact CZ-OE2 3.79Å; R132-E153 IonicContact NH1-OE1 3.54Å; R132-E153 PolarHBondContact NH1-OE1 3.28Å; R132-E153 IonicContact NH1-OE2 3.87Å; R132-E153 PolarHBondContact NH1-OE2 2.97Å; R132-E153 IonicContact NH2-OE1 3.42Å; R132-E153 PolarHBondContact NH2-OE1 2.8Å; R132-E153 IonicContact NH2-OE2 2.69Å; R132-E153 PolarHBondContact NH2-OE2 3.33Å; T136-E153 VanDerWaalsContact CB-OE1 3.28Å; T136-E153 WeakPolarHBondContact CB-OE1 2.91Å; T136-E153 WeakPolarHBondContact CG2-OE1 3.34Å; T136-E153 PolarHBondContact OG1-OE1 2.97Å; Y151-E153 HydrophobicContact CE1-CG 3.89Å; Y151-E153 VanDerWaalsContact OH-CG 3.25Å; Y151-E153 WeakPolarHBondContact OH-CG 3.14Å; Y151-E153 PolarHBondContact OH-OE1 2.79Å; E153-N161 VanDerWaalsContact O-CB 3.24Å; E153-N161 WeakPolarHBondContact O-CB 3.44Å; E153-N161 PolarHBondContact O-ND2 2.69Å |
| 154 | T | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 153.3 | -170.1 | 62.6 | 0 | 0 | 0 | 0 | 112.9 | L123 G124 N125 K126 I127 F152 I160 N161 A165 | L123-T154 HydrophobicContact CD2-CG2 4.2Å; G124-T154 PolarHBondContact O-N 2.85Å; N125-T154 CarbonylContact C-O 3.58Å; N125-T154 VanDerWaalsContact CA-O 3.28Å; N125-T154 WeakPolarHBondContact CA-O 3.26Å; N125-T154 PolarHBondContact OD1-O 3.24Å; N125-T154 PolarHBondContact OD1-OG1 2.59Å; K126-T154 PolarHBondContact N-O 3.46Å; I127-T154 PolarHBondContact N-O 3.04Å; F152-T154 HydrophobicContact CB-CG2 4.08Å; T154-I160 VanDerWaalsContact CA-O 3.3Å; T154-I160 WeakPolarHBondContact CA-O 3.11Å; T154-N161 HydrophobicContact CG2-CB 4.17Å; T154-A165 HydrophobicContact CG2-CB 4.34Å |
| 155 | S | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.264 | C | S | . | . | B | Isolated β-bridge | trans | -124.9 | 112 | 160.3 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | D128 K157 E158 A159 I160 | D128-S155 VanDerWaalsContact CG-OG 3.25Å; D128-S155 VanDerWaalsContact OD1-CB 3.29Å; D128-S155 WeakPolarHBondContact OD1-CB 3.46Å; D128-S155 PolarHBondContact OD1-OG 2.9Å; S155-K157 PolarHBondContact O-N 3.16Å; S155-K157 PolarHBondContact OG-N 3.22Å; S155-E158 PolarHBondContact OG-N 3.5Å; S155-A159 CarbonylContact O-C 3.39Å; S155-A159 VanDerWaalsContact O-CA 3.24Å; S155-A159 WeakPolarHBondContact O-CA 3.3Å; S155-A159 PolarHBondContact O-N 3Å; S155-I160 PolarHBondContact N-O 3.44Å; S155-I160 PolarHBondContact O-N 3.18Å |
| 156 | A | 98.4 | Very high | 98.2 | Very high | 2 Ų | 2 | 46.4 Ų | 46.4 | 2% | 0.017 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L24 Q27 F33 N125 | L24-A156 HydrophobicContact CD2-CB 3.89Å; L24-A156 HydrophobicContact CG-CB 4.04Å; Q27-A156 VanDerWaalsContact CG-O 3.31Å; Q27-A156 WeakPolarHBondContact CG-O 3.35Å; Q27-A156 PolarHBondContact NE2-O 3.19Å; F33-A156 HydrophobicContact CD2-CB 4.34Å; F33-A156 HydrophobicContact CE2-CB 4.5Å; N125-A156 PolarHBondContact OD1-N 3.23Å |
| 157 | K | 98.1 | Very high | 98.2 | Very high | 99 Ų | 99 | 46.5 Ų | 46.5 | 43% | 0.43 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -47.1 | -178.6 | -178.1 | -171.4 | 179.8 | -167.1 | 0 | 111.8 | F33 D128 S155 | F33-K157 HydrophobicContact CD1-CB 4.29Å; F33-K157 HydrophobicContact CD1-CG 4.04Å; F33-K157 HydrophobicContact CD2-CB 4.29Å; F33-K157 HydrophobicContact CE1-CB 3.96Å; F33-K157 HydrophobicContact CE1-CD 4.45Å; F33-K157 HydrophobicContact CE1-CG 3.67Å; F33-K157 HydrophobicContact CE2-CB 3.97Å; F33-K157 HydrophobicContact CG-CB 4.44Å; F33-K157 HydrophobicContact CZ-CB 3.8Å; F33-K157 HydrophobicContact CZ-CG 3.99Å; D128-K157 WeakPolarHBondContact OD2-CD 3.43Å; D128-K157 IonicContact OD2-NZ 3.53Å; S155-K157 PolarHBondContact O-N 3.16Å; S155-K157 PolarHBondContact OG-N 3.22Å |
| 158 | E | 98.1 | Very high | 98.4 | Very high | 110 Ų | 110 | 43.5 Ų | 43.5 | 51% | 0.514 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | 6.4 | -175.6 | -59.5 | -170.5 | 166.6 | 0 | 0 | 113.2 | D128 S155 I160 | D128-E158 HydrophobicContact CB-CG 3.93Å; S155-E158 PolarHBondContact OG-N 3.5Å; E158-I160 HydrophobicContact CB-CD1 3.85Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 3.07Å; E158-I160 WeakPolarHBondContact OE2-CD1 3.22Å |
| 159 | A | 98.3 | Very high | 98.5 | Very high | 50 Ų | 50 | 37.9 Ų | 37.9 | 41% | 0.413 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59 | 21.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q27 S155 N161 | Q27-A159 HydrophobicContact CG-CB 4.26Å; S155-A159 CarbonylContact O-C 3.39Å; S155-A159 VanDerWaalsContact O-CA 3.24Å; S155-A159 WeakPolarHBondContact O-CA 3.3Å; S155-A159 PolarHBondContact O-N 3Å; A159-N161 PolarHBondContact O-N 3.34Å |
| 160 | I | 98.8 | Very high | 98.5 | Very high | 60 Ų | 60 | 37.2 Ų | 37.2 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | B | Isolated β-bridge | trans | -73.8 | 127 | -177.6 | -57.9 | 168.7 | 0 | 0 | 0 | 109.9 | I127 T154 S155 E158 V162 | I127-I160 HydrophobicContact CD1-CB 4.3Å; I127-I160 HydrophobicContact CD1-CG2 3.81Å; T154-I160 VanDerWaalsContact CA-O 3.3Å; T154-I160 WeakPolarHBondContact CA-O 3.11Å; S155-I160 PolarHBondContact N-O 3.44Å; S155-I160 PolarHBondContact O-N 3.18Å; E158-I160 HydrophobicContact CB-CD1 3.85Å; E158-I160 HydrophobicContact CB-CG1 3.87Å; E158-I160 PolarHBondContact O-N 3.07Å; E158-I160 WeakPolarHBondContact OE2-CD1 3.22Å; I160-V162 PolarHBondContact O-N 2.91Å |
| 161 | N | 98.6 | Very high | 98.5 | Very high | 57 Ų | 57 | 40 Ų | 40 | 31% | 0.305 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.7 | 6.5 | 177.1 | -68 | -29.6 | 0 | 0 | 0 | 116.4 | E153 T154 A159 Q164 A165 | E153-N161 VanDerWaalsContact O-CB 3.24Å; E153-N161 WeakPolarHBondContact O-CB 3.44Å; E153-N161 PolarHBondContact O-ND2 2.69Å; T154-N161 HydrophobicContact CG2-CB 4.17Å; A159-N161 PolarHBondContact O-N 3.34Å; N161-Q164 VanDerWaalsContact CA-OE1 3.22Å; N161-A165 VanDerWaalsContact O-CB 3.27Å; N161-A165 WeakPolarHBondContact O-CB 3.39Å; N161-A165 PolarHBondContact O-N 3.07Å |
| 162 | V | 98.6 | Very high | 98.4 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.8 | -48.1 | -178.3 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | L24 Q27 Y28 I160 Q164 A165 F166 | L24-V162 HydrophobicContact CD2-CG2 4.01Å; Q27-V162 HydrophobicContact CG-CG1 4.37Å; Q27-V162 HydrophobicContact CG-CG2 4.27Å; Y28-V162 HydrophobicContact CD2-CG1 4.45Å; I160-V162 PolarHBondContact O-N 2.91Å; V162-Q164 PolarHBondContact O-N 3.1Å; V162-A165 PolarHBondContact O-N 3.25Å; V162-F166 HydrophobicContact CG1-CD2 3.99Å; V162-F166 HydrophobicContact CG1-CE2 4.15Å; V162-F166 WeakPolarHBondContact O-CD2 3.5Å; V162-F166 PolarHBondContact O-N 2.99Å; V162-F166 VanDerWaalsContact O-N 3.08Å |
| 163 | E | 97.9 | Very high | 98.4 | Very high | 61 Ų | 61 | 38.1 Ų | 38.1 | 29% | 0.285 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.8 | -42.9 | -178.5 | -160.7 | 70.4 | -151.1 | 0 | 0 | 111.5 | Y28 K31 K48 A165 F166 Q167 | Y28-E163 WeakPolarHBondContact CE2-OE1 3.26Å; K31-E163 IonicContact NZ-OE2 3.33Å; K31-E163 PolarHBondContact NZ-OE2 2.83Å; K48-E163 IonicContact NZ-OE1 3.06Å; K48-E163 PolarHBondContact NZ-OE1 2.84Å; K48-E163 IonicContact NZ-OE2 3.07Å; E163-A165 PolarHBondContact O-N 3.38Å; E163-F166 PolarHBondContact O-N 3.41Å; E163-Q167 WeakPolarHBondContact O-CB 3.37Å; E163-Q167 VanDerWaalsContact O-CG 3.26Å; E163-Q167 WeakPolarHBondContact O-CG 3.17Å; E163-Q167 PolarHBondContact O-N 2.94Å |
| 164 | Q | 98.3 | Very high | 98.2 | Very high | 100 Ų | 100 | 37.1 Ų | 37.1 | 47% | 0.467 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -62.6 | -42.2 | 179.5 | -63.8 | 86.2 | -21.5 | 0 | 0 | 111.9 | F152 N161 V162 T168 | F152-Q164 HydrophobicContact CE1-CB 4.44Å; N161-Q164 VanDerWaalsContact CA-OE1 3.22Å; V162-Q164 PolarHBondContact O-N 3.1Å; Q164-T168 PolarHBondContact O-N 3.32Å; Q164-T168 PolarHBondContact O-OG1 3.43Å; Q164-T168 VanDerWaalsContact O-OG1 3.09Å |
| 165 | A | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.4 | -51.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | L123 F152 T154 N161 V162 E163 Q167 T168 I169 | L123-A165 HydrophobicContact CD2-CB 3.62Å; F152-A165 HydrophobicContact CB-CB 4.05Å; F152-A165 HydrophobicContact CD1-CB 4.25Å; F152-A165 HydrophobicContact CD2-CB 3.99Å; F152-A165 HydrophobicContact CG-CB 3.82Å; T154-A165 HydrophobicContact CG2-CB 4.34Å; N161-A165 VanDerWaalsContact O-CB 3.27Å; N161-A165 WeakPolarHBondContact O-CB 3.39Å; N161-A165 PolarHBondContact O-N 3.07Å; V162-A165 PolarHBondContact O-N 3.25Å; E163-A165 PolarHBondContact O-N 3.38Å; A165-Q167 VanDerWaalsContact C-N 3.33Å; A165-Q167 PolarHBondContact O-N 3.28Å; A165-T168 WeakPolarHBondContact O-CB 3.27Å; A165-T168 PolarHBondContact O-N 2.94Å; A165-T168 VanDerWaalsContact O-N 3.13Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.47Å; A165-I169 PolarHBondContact O-N 3.09Å |
| 166 | F | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 44.4 Ų | 44.4 | 0% | 0.004 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.2 | -29.1 | -178.6 | -85.2 | -89.5 | 0 | 0 | 0 | 113.7 | I13 L24 Y28 M59 I61 V162 E163 I169 A170 | I13-F166 HydrophobicContact CD1-CE1 4.46Å; I13-F166 HydrophobicContact CD1-CZ 4.06Å; L24-F166 HydrophobicContact CB-CE2 4.47Å; Y28-F166 HydrophobicContact CD1-CB 4.02Å; Y28-F166 AromaticContact CD1-CD1 3.42Å; Y28-F166 HydrophobicContact CD1-CD1 3.42Å; Y28-F166 VanDerWaalsContact CD1-CD1 3.42Å; Y28-F166 HydrophobicContact CD1-CD2 4.13Å; Y28-F166 AromaticContact CD1-CE1 3.84Å; Y28-F166 HydrophobicContact CD1-CE1 3.84Å; Y28-F166 HydrophobicContact CD1-CE2 4.47Å; Y28-F166 AromaticContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CG 3.59Å; Y28-F166 HydrophobicContact CD1-CZ 4.34Å; Y28-F166 HydrophobicContact CD2-CB 3.53Å; Y28-F166 HydrophobicContact CD2-CD1 4.39Å; Y28-F166 AromaticContact CD2-CD2 3.88Å; Y28-F166 HydrophobicContact CD2-CD2 3.88Å; Y28-F166 AromaticContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CD2-CG 3.68Å; Y28-F166 HydrophobicContact CE1-CB 3.76Å; Y28-F166 AromaticContact CE1-CD1 3.56Å; Y28-F166 HydrophobicContact CE1-CD1 3.56Å; Y28-F166 HydrophobicContact CE1-CE1 4.34Å; Y28-F166 AromaticContact CE1-CG 3.78Å; Y28-F166 HydrophobicContact CE1-CG 3.78Å; Y28-F166 HydrophobicContact CE2-CB 3.27Å; Y28-F166 AromaticContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CE2-CG 3.89Å; Y28-F166 HydrophobicContact CG-CB 3.9Å; Y28-F166 AromaticContact CG-CD1 3.85Å; Y28-F166 HydrophobicContact CG-CD1 3.85Å; Y28-F166 AromaticContact CG-CD2 3.66Å; Y28-F166 HydrophobicContact CG-CD2 3.66Å; Y28-F166 HydrophobicContact CG-CE1 4.28Å; Y28-F166 HydrophobicContact CG-CE2 4.1Å; Y28-F166 AromaticContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CG 3.52Å; Y28-F166 HydrophobicContact CG-CZ 4.39Å; Y28-F166 AromaticContact CZ-CG 3.93Å; M59-F166 HydrophobicContact CE-CD1 4.22Å; I61-F166 HydrophobicContact CD1-CD1 4.12Å; I61-F166 HydrophobicContact CD1-CE1 3.81Å; I61-F166 HydrophobicContact CG1-CE1 4.37Å; I61-F166 HydrophobicContact CG2-CE1 4.06Å; V162-F166 HydrophobicContact CG1-CD2 3.99Å; V162-F166 HydrophobicContact CG1-CE2 4.15Å; V162-F166 WeakPolarHBondContact O-CD2 3.5Å; V162-F166 PolarHBondContact O-N 2.99Å; V162-F166 VanDerWaalsContact O-N 3.08Å; E163-F166 PolarHBondContact O-N 3.41Å; F166-I169 HydrophobicContact CD1-CD1 4.23Å; F166-I169 HydrophobicContact CG-CD1 4.27Å; F166-I169 PolarHBondContact O-N 2.91Å; F166-A170 WeakPolarHBondContact O-CB 3.38Å; F166-A170 PolarHBondContact O-N 3.27Å |
| 167 | Q | 98.1 | Very high | 97.5 | Very high | 54 Ų | 54 | 45.3 Ų | 45.3 | 25% | 0.252 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 169.6 | -78.8 | -70.6 | -1.4 | 0 | 0 | 112.1 | E163 A165 A170 R171 | E163-Q167 WeakPolarHBondContact O-CB 3.37Å; E163-Q167 VanDerWaalsContact O-CG 3.26Å; E163-Q167 WeakPolarHBondContact O-CG 3.17Å; E163-Q167 PolarHBondContact O-N 2.94Å; A165-Q167 VanDerWaalsContact C-N 3.33Å; A165-Q167 PolarHBondContact O-N 3.28Å; Q167-A170 PolarHBondContact O-N 3.24Å; Q167-R171 PolarHBondContact O-N 3.43Å |
| 168 | T | 98.4 | Very high | 97.1 | Very high | 26 Ų | 26 | 42.8 Ų | 42.8 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 111.4 | P150 F152 Q164 A165 A170 R171 N172 | P150-T168 HydrophobicContact CB-CG2 4.17Å; P150-T168 HydrophobicContact CG-CG2 4.31Å; F152-T168 HydrophobicContact CE2-CG2 4.01Å; F152-T168 HydrophobicContact CZ-CG2 4.05Å; F152-T168 VanDerWaalsContact CZ-OG1 3.29Å; F152-T168 WeakPolarHBondContact CZ-OG1 3.26Å; Q164-T168 PolarHBondContact O-N 3.32Å; Q164-T168 PolarHBondContact O-OG1 3.43Å; Q164-T168 VanDerWaalsContact O-OG1 3.09Å; A165-T168 WeakPolarHBondContact O-CB 3.27Å; A165-T168 PolarHBondContact O-N 2.94Å; A165-T168 VanDerWaalsContact O-N 3.13Å; T168-A170 PolarHBondContact O-N 3.43Å; T168-R171 PolarHBondContact O-N 3.03Å; T168-N172 WeakPolarHBondContact O-CB 3.49Å; T168-N172 VanDerWaalsContact O-CG 3.28Å; T168-N172 PolarHBondContact O-N 2.68Å; T168-N172 PolarHBondContact O-OD1 2.99Å |
| 169 | I | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.9 | -48.2 | 173.7 | -68.4 | 159.8 | 0 | 0 | 0 | 110.5 | V11 M59 C83 V85 V121 A165 F166 R171 N172 A173 | V11-I169 HydrophobicContact CB-CG2 4.39Å; V11-I169 HydrophobicContact CG1-CG2 3.62Å; V11-I169 HydrophobicContact CG2-CG2 3.8Å; M59-I169 HydrophobicContact CE-CG2 3.95Å; C83-I169 HydrophobicContact CB-CG2 4.3Å; V85-I169 HydrophobicContact CB-CD1 4.46Å; V85-I169 HydrophobicContact CG1-CD1 4.1Å; V85-I169 HydrophobicContact CG2-CD1 3.48Å; V85-I169 VanDerWaalsContact CG2-CD1 3.48Å; V85-I169 HydrophobicContact CG2-CG1 3.92Å; V85-I169 HydrophobicContact CG2-CG2 4.09Å; V121-I169 HydrophobicContact CB-CD1 4.4Å; V121-I169 HydrophobicContact CB-CG1 3.76Å; V121-I169 HydrophobicContact CG1-CD1 4.29Å; V121-I169 HydrophobicContact CG1-CG1 3.94Å; V121-I169 HydrophobicContact CG2-CG1 3.64Å; A165-I169 VanDerWaalsContact O-CG1 3.31Å; A165-I169 WeakPolarHBondContact O-CG1 3.47Å; A165-I169 PolarHBondContact O-N 3.09Å; F166-I169 HydrophobicContact CD1-CD1 4.23Å; F166-I169 HydrophobicContact CG-CD1 4.27Å; F166-I169 PolarHBondContact O-N 2.91Å; I169-R171 PolarHBondContact O-N 3.32Å; I169-N172 PolarHBondContact O-N 2.72Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.37Å; I169-A173 PolarHBondContact O-N 3.02Å |
| 170 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V50 V52 M59 F166 Q167 T168 A173 L174 | V50-A170 HydrophobicContact CG1-CB 4.12Å; V52-A170 HydrophobicContact CG2-CB 3.54Å; M59-A170 HydrophobicContact CE-CB 3.85Å; M59-A170 HydrophobicContact CG-CB 4.38Å; M59-A170 HydrophobicContact SD-CB 3.6Å; F166-A170 WeakPolarHBondContact O-CB 3.38Å; F166-A170 PolarHBondContact O-N 3.27Å; Q167-A170 PolarHBondContact O-N 3.24Å; T168-A170 PolarHBondContact O-N 3.43Å; A170-A173 PolarHBondContact O-N 3.12Å; A170-L174 WeakPolarHBondContact O-CB 3.24Å; A170-L174 PolarHBondContact O-N 3.26Å |
| 171 | R | 98.1 | Very high | 95.5 | Very high | 102 Ų | 102 | 41.7 Ų | 41.7 | 39% | 0.385 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.8 | -46.8 | 175.5 | -171 | -177.8 | -62.5 | 106.8 | 2.3 | 112.3 | V52 D53 Q167 T168 I169 L174 K175 | V52-R171 HydrophobicContact CG1-CB 3.99Å; V52-R171 HydrophobicContact CG1-CG 4.3Å; D53-R171 IonicContact OD1-NE 3.82Å; D53-R171 IonicContact OD1-NH2 3.66Å; D53-R171 IonicContact OD2-NE 3.55Å; Q167-R171 PolarHBondContact O-N 3.43Å; T168-R171 PolarHBondContact O-N 3.03Å; I169-R171 PolarHBondContact O-N 3.32Å; R171-L174 PolarHBondContact O-N 2.64Å; R171-K175 PolarHBondContact O-N 3.44Å; R171-K175 VanDerWaalsContact O-N 3.08Å |
| 172 | N | 97.9 | Very high | 94.9 | Very high | 39 Ų | 39 | 43.6 Ų | 43.6 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -67.1 | -40.8 | -180 | -69.1 | -1 | 0 | 0 | 0 | 111.6 | P119 T168 I169 K175 Q176 | P119-N172 HydrophobicContact CB-CB 3.83Å; T168-N172 WeakPolarHBondContact O-CB 3.49Å; T168-N172 VanDerWaalsContact O-CG 3.28Å; T168-N172 PolarHBondContact O-N 2.68Å; T168-N172 PolarHBondContact O-OD1 2.99Å; I169-N172 PolarHBondContact O-N 2.72Å; N172-K175 PolarHBondContact O-N 2.9Å; N172-Q176 PolarHBondContact O-N 3.37Å |
| 173 | A | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | L9 V11 D82 C83 I169 A170 K175 Q176 E177 | L9-A173 HydrophobicContact CB-CB 4.13Å; L9-A173 HydrophobicContact CD1-CB 4.08Å; L9-A173 HydrophobicContact CD2-CB 4.4Å; L9-A173 HydrophobicContact CG-CB 4.44Å; V11-A173 HydrophobicContact CG2-CB 4.44Å; D82-A173 HydrophobicContact CB-CB 3.86Å; D82-A173 WeakPolarHBondContact O-CA 3.44Å; C83-A173 HydrophobicContact CB-CB 3.81Å; I169-A173 VanDerWaalsContact O-CB 3.27Å; I169-A173 WeakPolarHBondContact O-CB 3.37Å; I169-A173 PolarHBondContact O-N 3.02Å; A170-A173 PolarHBondContact O-N 3.12Å; A173-K175 VanDerWaalsContact C-N 3.32Å; A173-K175 PolarHBondContact O-N 3.45Å; A173-Q176 PolarHBondContact O-N 3.5Å; A173-E177 WeakPolarHBondContact O-CB 3.46Å; A173-E177 PolarHBondContact O-N 2.82Å |
| 174 | L | 96.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 49.5 Ų | 49.5 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 177.2 | -179 | 58.1 | 0 | 0 | 0 | 112.1 | V7 L9 V52 R55 V57 A170 R171 E177 T178 | V7-L174 HydrophobicContact CG1-CD1 3.91Å; L9-L174 HydrophobicContact CD1-CB 3.98Å; L9-L174 HydrophobicContact CD2-CB 4.42Å; L9-L174 HydrophobicContact CD2-CD1 4.34Å; V52-L174 HydrophobicContact CB-CD2 4.17Å; V52-L174 HydrophobicContact CG1-CD2 3.9Å; R55-L174 HydrophobicContact CB-CD2 4.47Å; V57-L174 HydrophobicContact CG1-CD1 4.06Å; V57-L174 HydrophobicContact CG1-CD2 4.28Å; A170-L174 WeakPolarHBondContact O-CB 3.24Å; A170-L174 PolarHBondContact O-N 3.26Å; R171-L174 PolarHBondContact O-N 2.64Å; L174-E177 PolarHBondContact O-N 2.97Å; L174-T178 WeakPolarHBondContact O-CB 3.4Å; L174-T178 PolarHBondContact O-N 3.06Å; L174-T178 PolarHBondContact O-OG1 2.9Å |
| 175 | K | 95.1 | Very high | 92.7 | Very high | 132 Ų | 132 | 50.8 Ų | 50.8 | 57% | 0.574 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61 | -47.8 | 175.8 | -172.8 | -174 | 174.9 | -159.1 | 0 | 111.1 | R171 N172 A173 T178 E179 | R171-K175 PolarHBondContact O-N 3.44Å; R171-K175 VanDerWaalsContact O-N 3.08Å; N172-K175 PolarHBondContact O-N 2.9Å; A173-K175 VanDerWaalsContact C-N 3.32Å; A173-K175 PolarHBondContact O-N 3.45Å; K175-T178 PolarHBondContact O-N 2.78Å; K175-E179 WeakPolarHBondContact CE-OE1 3.44Å; K175-E179 IonicContact NZ-OE1 3.46Å; K175-E179 WeakPolarHBondContact O-CG 3.24Å; K175-E179 PolarHBondContact O-N 3.37Å |
| 176 | Q | 93.8 | Very high | 92.1 | Very high | 21 Ų | 21 | 57.7 Ų | 57.7 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.6 | -46.3 | 177.5 | 177 | 63.8 | 39 | 0 | 0 | 112.3 | D82 P119 N172 A173 T178 E179 V180 | D82-Q176 WeakPolarHBondContact O-CB 3.27Å; D82-Q176 WeakPolarHBondContact O-CG 3.38Å; P119-Q176 HydrophobicContact CG-CB 3.82Å; P119-Q176 HydrophobicContact CG-CG 4.11Å; N172-Q176 PolarHBondContact O-N 3.37Å; A173-Q176 PolarHBondContact O-N 3.5Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 2.99Å; Q176-E179 PolarHBondContact O-N 3.01Å; Q176-V180 VanDerWaalsContact NE2-CG2 3.34Å; Q176-V180 VanDerWaalsContact O-CG2 3.3Å; Q176-V180 WeakPolarHBondContact O-CG2 3.23Å; Q176-V180 PolarHBondContact O-N 3.43Å |
| 177 | E | 92.3 | Very high | 91.3 | Very high | 20 Ų | 20 | 61.7 Ų | 61.7 | 9% | 0.093 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 178.9 | -174.2 | -92.2 | -178.1 | 0 | 0 | 111 | V7 L9 A173 L174 E179 V180 E181 | V7-E177 HydrophobicContact CG1-CG 4.32Å; L9-E177 HydrophobicContact CD2-CB 3.77Å; L9-E177 HydrophobicContact CD2-CG 4.13Å; A173-E177 WeakPolarHBondContact O-CB 3.46Å; A173-E177 PolarHBondContact O-N 2.82Å; L174-E177 PolarHBondContact O-N 2.97Å; E177-E179 PolarHBondContact O-N 2.98Å; E177-V180 PolarHBondContact O-N 2.86Å; E177-E181 WeakPolarHBondContact O-CG 3.25Å; E177-E181 PolarHBondContact O-N 3.21Å; E177-E181 VanDerWaalsContact OE1-OE1 3.13Å |
| 178 | T | 89.7 | Confident | 90.4 | Very high | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.282 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64 | -40.6 | 177.7 | -61.2 | 0 | 0 | 0 | 0 | 112 | L174 K175 Q176 E181 L182 | L174-T178 WeakPolarHBondContact O-CB 3.4Å; L174-T178 PolarHBondContact O-N 3.06Å; L174-T178 PolarHBondContact O-OG1 2.9Å; K175-T178 PolarHBondContact O-N 2.78Å; Q176-T178 VanDerWaalsContact C-N 3.32Å; Q176-T178 PolarHBondContact O-N 2.99Å; T178-E181 PolarHBondContact O-N 2.74Å; T178-L182 HydrophobicContact CG2-CD1 4.11Å; T178-L182 HydrophobicContact CG2-CG 4.5Å; T178-L182 WeakPolarHBondContact O-CB 3.37Å; T178-L182 VanDerWaalsContact O-CG 3.27Å; T178-L182 WeakPolarHBondContact O-CG 3.41Å; T178-L182 PolarHBondContact O-N 3.45Å |
| 179 | E | 88.5 | Confident | 89.5 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 43% | 0.43 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.5 | -74.2 | 175.5 | -175.9 | 0 | 0 | 112.2 | K175 Q176 E177 Y183 | K175-E179 WeakPolarHBondContact CE-OE1 3.44Å; K175-E179 IonicContact NZ-OE1 3.46Å; K175-E179 WeakPolarHBondContact O-CG 3.24Å; K175-E179 PolarHBondContact O-N 3.37Å; Q176-E179 PolarHBondContact O-N 3.01Å; E177-E179 PolarHBondContact O-N 2.98Å; E179-Y183 WeakPolarHBondContact O-CB 3.25Å; E179-Y183 PolarHBondContact O-N 3.32Å |
| 180 | V | 86.3 | Confident | 88.5 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 36% | 0.358 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 176.2 | 172.2 | 0 | 0 | 0 | 0 | 111.2 | Q176 E177 Y183 N184 | Q176-V180 VanDerWaalsContact NE2-CG2 3.34Å; Q176-V180 VanDerWaalsContact O-CG2 3.3Å; Q176-V180 WeakPolarHBondContact O-CG2 3.23Å; Q176-V180 PolarHBondContact O-N 3.43Å; E177-V180 PolarHBondContact O-N 2.86Å; V180-Y183 PolarHBondContact O-N 3.06Å; V180-N184 VanDerWaalsContact O-CG 3.23Å; V180-N184 PolarHBondContact O-N 2.96Å; V180-N184 PolarHBondContact O-ND2 3.18Å; V180-N184 VanDerWaalsContact O-ND2 3.1Å |
| 181 | E | 86.7 | Confident | 87.2 | Confident | 47 Ų | 47 | 86.4 Ų | 86.4 | 22% | 0.22 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -59.5 | -51.1 | 174.7 | -73.2 | -161.8 | 141.4 | 0 | 0 | 111.3 | K5 E177 T178 Y183 N184 E185 | K5-E181 IonicContact NZ-OE1 2.69Å; K5-E181 PolarHBondContact NZ-OE1 3.42Å; E177-E181 WeakPolarHBondContact O-CG 3.25Å; E177-E181 PolarHBondContact O-N 3.21Å; E177-E181 VanDerWaalsContact OE1-OE1 3.13Å; T178-E181 PolarHBondContact O-N 2.74Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.45Å; E181-N184 PolarHBondContact O-N 3.34Å; E181-N184 VanDerWaalsContact O-N 3.14Å; E181-E185 PolarHBondContact O-N 3.21Å; E181-E185 VanDerWaalsContact O-N 3.08Å |
| 182 | L | 84.9 | Confident | 85.7 | Confident | 96 Ų | 96 | 88.7 Ų | 88.7 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.4 | -41 | 179.3 | -76.5 | 171.3 | 0 | 0 | 0 | 112.1 | T178 E185 F186 | T178-L182 HydrophobicContact CG2-CD1 4.11Å; T178-L182 HydrophobicContact CG2-CG 4.5Å; T178-L182 WeakPolarHBondContact O-CB 3.37Å; T178-L182 VanDerWaalsContact O-CG 3.27Å; T178-L182 WeakPolarHBondContact O-CG 3.41Å; T178-L182 PolarHBondContact O-N 3.45Å; L182-E185 PolarHBondContact O-N 3.33Å; L182-F186 WeakPolarHBondContact O-CA 3.49Å; L182-F186 WeakPolarHBondContact O-CB 3.48Å; L182-F186 PolarHBondContact O-N 3.17Å |
| 183 | Y | 82.3 | Confident | 84 | Confident | 69 Ų | 69 | 94.4 Ų | 94.4 | 27% | 0.271 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.4 | -39.7 | 177.8 | 176.6 | -101.9 | 0 | 0 | 0 | 113.3 | R113 E179 V180 E181 E185 F186 P187 | R113-Y183 PolarHBondContact NH2-OH 2.89Å; E179-Y183 WeakPolarHBondContact O-CB 3.25Å; E179-Y183 PolarHBondContact O-N 3.32Å; V180-Y183 PolarHBondContact O-N 3.06Å; E181-Y183 VanDerWaalsContact C-N 3.27Å; E181-Y183 PolarHBondContact O-N 3.45Å; Y183-E185 PolarHBondContact O-N 3.19Å; Y183-F186 CarbonylContact O-C 3.55Å; Y183-F186 VanDerWaalsContact O-C 3.26Å; Y183-F186 PolarHBondContact O-N 3.48Å; Y183-P187 HydrophobicContact CD2-CB 4.22Å; Y183-P187 VanDerWaalsContact CE2-CA 3.46Å; Y183-P187 HydrophobicContact CE2-CB 3.67Å; Y183-P187 WeakPolarHBondContact O-CA 3.47Å; Y183-P187 VanDerWaalsContact O-N 3.12Å |
| 184 | N | 83.6 | Confident | 82 | Confident | 120 Ų | 120 | 104 Ų | 104 | 64% | 0.642 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -32.4 | 178.3 | -70.4 | -31.5 | 0 | 0 | 0 | 111.4 | V180 E181 | V180-N184 VanDerWaalsContact O-CG 3.23Å; V180-N184 PolarHBondContact O-N 2.96Å; V180-N184 PolarHBondContact O-ND2 3.18Å; V180-N184 VanDerWaalsContact O-ND2 3.1Å; E181-N184 PolarHBondContact O-N 3.34Å; E181-N184 VanDerWaalsContact O-N 3.14Å |
| 185 | E | 83.8 | Confident | 79.9 | Confident | 127 Ų | 127 | 110.7 Ų | 110.7 | 59% | 0.593 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -80.7 | -38 | 174.4 | -66.1 | -176.6 | -177.9 | 0 | 0 | 112.5 | E181 L182 Y183 | E181-E185 PolarHBondContact O-N 3.21Å; E181-E185 VanDerWaalsContact O-N 3.08Å; L182-E185 PolarHBondContact O-N 3.33Å; Y183-E185 PolarHBondContact O-N 3.19Å |
| 186 | F | 86.3 | Confident | 78 | Confident | 145 Ų | 145 | 113.8 Ų | 113.8 | 64% | 0.636 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -137.4 | 83.2 | -173.9 | -55.8 | -77.9 | 0 | 0 | 0 | 110.9 | L182 Y183 E188 | L182-F186 WeakPolarHBondContact O-CA 3.49Å; L182-F186 WeakPolarHBondContact O-CB 3.48Å; L182-F186 PolarHBondContact O-N 3.17Å; Y183-F186 CarbonylContact O-C 3.55Å; Y183-F186 VanDerWaalsContact O-C 3.26Å; Y183-F186 PolarHBondContact O-N 3.48Å; F186-E188 PolarHBondContact O-N 2.72Å |
| 187 | P | 80.3 | Confident | 75.8 | Confident | 84 Ų | 84 | 122.5 Ų | 122.5 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -67.1 | 132.5 | -178.5 | 25.7 | -32.9 | 0 | 0 | 0 | 110.8 | Y183 | Y183-P187 HydrophobicContact CD2-CB 4.22Å; Y183-P187 VanDerWaalsContact CE2-CA 3.46Å; Y183-P187 HydrophobicContact CE2-CB 3.67Å; Y183-P187 WeakPolarHBondContact O-CA 3.47Å; Y183-P187 VanDerWaalsContact O-N 3.12Å |
| 188 | E | 79 | Confident | 73.6 | Confident | 146 Ų | 146 | 125.9 Ų | 125.9 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 141.3 | 175 | -69.9 | -165.1 | 167 | 0 | 0 | 111.2 | F186 I190 | F186-E188 PolarHBondContact O-N 2.72Å; E188-I190 PolarHBondContact O-N 2.89Å |
| 189 | P | 79.6 | Confident | 71.5 | Confident | 112 Ų | 112 | 135.6 Ų | 135.6 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 128.3 | 179.2 | 24.1 | -31.8 | 0 | 0 | 0 | 110.9 | K191 | P189-K191 PolarHBondContact O-N 2.98Å; P189-K191 VanDerWaalsContact O-N 3.07Å |
| 190 | I | 77.5 | Confident | 69.4 | Low | 150 Ų | 150 | 136.9 Ų | 136.9 | 77% | 0.769 | 68% | 0.675 | S | S | * | * | trans | -66 | 109.9 | 174.1 | -59.4 | 172.9 | 0 | 0 | 0 | 108.3 | E188 L192 | E188-I190 PolarHBondContact O-N 2.89Å; I190-L192 HydrophobicContact CG2-CD2 4.35Å; I190-L192 HydrophobicContact CG2-CG 4.42Å; I190-L192 PolarHBondContact O-N 3.1Å; I190-L192 VanDerWaalsContact O-N 3.12Å | ||
| 191 | K | 71.1 | Confident | 67.7 | Low | 191 Ų | 191 | 139.6 Ų | 139.6 | 83% | 0.83 | 70% | 0.696 | S | S | * | * | trans | -74.3 | 99.9 | 170.3 | -68.2 | -177.5 | -178.2 | 174.5 | 0 | 108.6 | P189 D193 | P189-K191 PolarHBondContact O-N 2.98Å; P189-K191 VanDerWaalsContact O-N 3.07Å; K191-D193 PolarHBondContact O-N 3.1Å | ||
| 192 | L | 66.6 | Low | 65.8 | Low | 151 Ų | 151 | 141.6 Ų | 141.6 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -75.4 | 97.7 | 168 | -68.9 | 169 | 0 | 0 | 0 | 108.3 | I190 R194 | I190-L192 HydrophobicContact CG2-CD2 4.35Å; I190-L192 HydrophobicContact CG2-CG 4.42Å; I190-L192 PolarHBondContact O-N 3.1Å; I190-L192 VanDerWaalsContact O-N 3.12Å; L192-R194 PolarHBondContact O-N 3.28Å | ||
| 193 | D | 62.4 | Low | 64 | Low | 158 Ų | 158 | 146 Ų | 146 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | -64 | 106.3 | 169.2 | -97.7 | -22.3 | 0 | 0 | 0 | 109 | K191 N195 | K191-D193 PolarHBondContact O-N 3.1Å; D193-N195 PolarHBondContact O-N 3.49Å | ||
| 194 | R | 56.2 | Low | 62.3 | Low | 203 Ų | 203 | 149.1 Ų | 149.1 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | trans | -82.2 | 37.6 | -171.5 | -131.4 | -177.6 | -170 | -169.8 | 4.6 | 112.6 | L192 | L192-R194 PolarHBondContact O-N 3.28Š| ||
| 195 | N | 53.1 | Low | 60.4 | Low | 156 Ų | 156 | 149.3 Ų | 149.3 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -112.4 | 17 | -171.2 | -113.4 | 11 | 0 | 0 | 0 | 116.4 | D193 | D193-N195 PolarHBondContact O-N 3.49Š| ||
| 196 | E | 53.5 | Low | 58.9 | Low | 197 Ų | 197 | 148.6 Ų | 148.6 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -101.4 | 72.6 | 159.7 | -70.5 | -170.2 | 160 | 0 | 0 | 110.2 | ||||
| 197 | R | 48.6 | Very low | 57.4 | Low | 204 Ų | 204 | 151.1 Ų | 151.1 | 77% | 0.77 | 82% | 0.817 | S | S | * | * | trans | -107.8 | 105.9 | 161.9 | -80.2 | -173.9 | 176.4 | -170.5 | -1.8 | 109.3 | ||||
| 198 | A | 45.8 | Very low | 56.2 | Low | 91 Ų | 91 | 154.5 Ų | 154.5 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | trans | 52.6 | 100 | 148.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | P200 | A198-P200 WeakPolarHBondContact O-CD 3.41Š| ||
| 199 | R | 46.4 | Very low | 55 | Low | 249 Ų | 249 | 154.9 Ų | 154.9 | 94% | 0.94 | 84% | 0.838 | S | S | * | * | trans | -73.4 | 119.2 | 144.3 | -69.3 | -176.6 | -179.2 | -175.6 | 0.9 | 107.2 | S201 | R199-S201 PolarHBondContact O-N 3.16Š| ||
| 200 | P | 44.1 | Very low | 53.7 | Low | 120 Ų | 120 | 157.3 Ų | 157.3 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | trans | -72.8 | 124.4 | 163.8 | 11.9 | 1.8 | 0 | 0 | 0 | 108 | A198 A202 | A198-P200 WeakPolarHBondContact O-CD 3.41Å; P200-A202 PolarHBondContact O-N 3.07Å | ||
| 201 | S | 50.5 | Low | 52.3 | Low | 115 Ų | 115 | 157.7 Ų | 157.7 | 80% | 0.804 | 85% | 0.849 | S | S | * | * | trans | -62.9 | 106.7 | 163.9 | 48.5 | 0 | 0 | 0 | 0 | 108.9 | R199 | R199-S201 PolarHBondContact O-N 3.16Š| ||
| 202 | A | 45.9 | Very low | 51.1 | Low | 90 Ų | 90 | 155.6 Ų | 155.6 | 74% | 0.744 | 85% | 0.85 | S | S | * | * | trans | -94.5 | 89.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 108 | P200 T204 | P200-A202 PolarHBondContact O-N 3.07Å; A202-T204 PolarHBondContact O-N 3.1Å | ||
| 203 | E | 47.8 | Very low | 50.1 | Low | 188 Ų | 188 | 155.9 Ų | 155.9 | 88% | 0.879 | 85% | 0.854 | S | S | * | * | trans | -69.6 | 106.3 | 156.6 | -73.9 | -178.2 | 155.2 | 0 | 0 | 107.6 | ||||
| 204 | T | 45.9 | Very low | 49.2 | Very low | 135 Ų | 135 | 155.8 Ų | 155.8 | 83% | 0.828 | 86% | 0.855 | S | S | * | * | trans | -91.2 | 98.9 | 161.6 | 39.2 | 0 | 0 | 0 | 0 | 108.4 | A202 | A202-T204 PolarHBondContact O-N 3.1Š| ||
| 205 | C | 45 | Very low | 48.6 | Very low | 124 Ų | 124 | 152.2 Ų | 152.2 | 84% | 0.838 | 86% | 0.862 | S | S | * | * | trans | -79.9 | 126.1 | 160.8 | -167.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 206 | S | 51.9 | Low | 48.3 | Very low | 112 Ų | 112 | 151.8 Ų | 151.8 | 78% | 0.783 | 86% | 0.864 | S | S | * | * | trans | -129.4 | 120.2 | 167.3 | 63.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 207 | C | 53.8 | Low | 47.8 | Very low | 197 Ų | 197 | 147.7 Ų | 147.7 | 100% | 1.331 | 86% | 0.859 | S | S | * | * | trans | -58.3 | 0 | 163.7 | -58 | 0 | 0 | 0 | 0 | 112.5 |
Retrieved 207 of 207 residues in 233.5 ms
(Link to these results)