| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 47.7 | Very low | 57.5 | Low | 201 Ų | 201 | 91.6 Ų | 91.6 | 99% | 0.99 | 55% | 0.551 | S | S | * | * | 0 | 63.5 | 0 | -56.6 | -145.1 | 171.7 | 0 | 0 | 111.5 | S3 D53 | M1-S3 PolarHBondContact O-N 2.95Å; M1-D53 VanDerWaalsContact CA-OD2 3.26Å; M1-D53 WeakPolarHBondContact CA-OD2 3.37Å; M1-D53 PolarHBondContact N-OD2 3.39Å | |||
| 2 | S | 47.6 | Very low | 58.3 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 66% | 0.657 | 55% | 0.55 | S | S | * | . | trans | -72.1 | 108.1 | 158.8 | -171.7 | 0 | 0 | 0 | 0 | 106.1 | R4 | S2-R4 PolarHBondContact O-N 3.44Š| ||
| 3 | S | 52.8 | Low | 58.6 | Low | 113 Ų | 113 | 95.5 Ų | 95.5 | 79% | 0.79 | 56% | 0.562 | S | S | * | * | trans | -78.3 | 60.9 | -176.2 | 60.3 | 0 | 0 | 0 | 0 | 111.1 | M1 L5 | M1-S3 PolarHBondContact O-N 2.95Å; S3-L5 PolarHBondContact O-N 2.87Å | ||
| 4 | R | 60.6 | Low | 59.7 | Low | 122 Ų | 122 | 90.6 Ų | 90.6 | 46% | 0.46 | 54% | 0.541 | S | S | . | . | trans | -75.7 | 106.3 | 174.2 | -170.5 | -177.9 | -177.8 | -157.9 | 8.1 | 108.2 | S2 L6 E10 | S2-R4 PolarHBondContact O-N 3.44Å; R4-L6 PolarHBondContact O-N 2.69Å; R4-E10 VanDerWaalsContact CZ-CD 3.48Å; R4-E10 IonicContact CZ-OE1 3.42Å; R4-E10 IonicContact CZ-OE2 3.01Å; R4-E10 IonicContact NE-OE1 3.59Å; R4-E10 IonicContact NE-OE2 3.11Å; R4-E10 PolarHBondContact NE-OE2 3.32Å; R4-E10 VanDerWaalsContact NE-OE2 3.11Å; R4-E10 IonicContact NH1-OE2 3.7Å; R4-E10 IonicContact NH2-OE1 2.67Å; R4-E10 PolarHBondContact NH2-OE1 3.44Å; R4-E10 IonicContact NH2-OE2 3.01Å; R4-E10 PolarHBondContact NH2-OE2 3.02Å | ||
| 5 | L | 60.4 | Low | 61.1 | Low | 130 Ų | 130 | 88.4 Ų | 88.4 | 68% | 0.681 | 53% | 0.528 | S | S | * | . | trans | -68 | 115.7 | 167.6 | -68.7 | 173.1 | 0 | 0 | 0 | 107.8 | S3 T7 | S3-L5 PolarHBondContact O-N 2.87Å; L5-T7 PolarHBondContact O-N 2.9Å | ||
| 6 | L | 60 | Low | 62.4 | Low | 29 Ų | 29 | 86.3 Ų | 86.3 | 15% | 0.152 | 51% | 0.513 | C | S | . | . | trans | -66.3 | 106.7 | 171.7 | -68.7 | 163.6 | 0 | 0 | 0 | 107.5 | R4 E10 N45 F48 | R4-L6 PolarHBondContact O-N 2.69Å; L6-E10 HydrophobicContact CD2-CB 4.22Å; L6-N45 WeakPolarHBondContact CB-OD1 3.32Å; L6-F48 HydrophobicContact CD1-CB 3.28Å; L6-F48 HydrophobicContact CD1-CD1 4.31Å; L6-F48 HydrophobicContact CD1-CD2 3.33Å; L6-F48 HydrophobicContact CD1-CE2 4.21Å; L6-F48 HydrophobicContact CD1-CG 3.4Å | ||
| 7 | T | 59 | Low | 63.6 | Low | 93 Ų | 93 | 87.6 Ų | 87.6 | 57% | 0.571 | 52% | 0.517 | S | S | * | . | trans | -79.5 | 141.6 | 169.3 | 48.6 | 0 | 0 | 0 | 0 | 107.6 | L5 G9 E10 | L5-T7 PolarHBondContact O-N 2.9Å; T7-G9 PolarHBondContact O-N 2.94Å; T7-E10 PolarHBondContact O-N 3.07Å | ||
| 8 | G | 57.1 | Low | 64.9 | Low | 77 Ų | 77 | 85.6 Ų | 85.6 | 79% | 0.794 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | 0.8 | -165.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 9 | G | 61 | Low | 66.1 | Low | 39 Ų | 39 | 82.1 Ų | 82.1 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -18.2 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T7 P123 | T7-G9 PolarHBondContact O-N 2.94Å; G9-P123 WeakPolarHBondContact O-CB 3.29Å; G9-P123 VanDerWaalsContact O-CG 3.22Å; G9-P123 WeakPolarHBondContact O-CG 3.3Å |
| 10 | E | 62.4 | Low | 67.2 | Low | 84 Ų | 84 | 79.4 Ų | 79.4 | 39% | 0.393 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -87.6 | -20.7 | -170.8 | -60.1 | -174.1 | 155.5 | 0 | 0 | 113.6 | R4 L6 T7 | R4-E10 VanDerWaalsContact CZ-CD 3.48Å; R4-E10 IonicContact CZ-OE1 3.42Å; R4-E10 IonicContact CZ-OE2 3.01Å; R4-E10 IonicContact NE-OE1 3.59Å; R4-E10 IonicContact NE-OE2 3.11Å; R4-E10 PolarHBondContact NE-OE2 3.32Å; R4-E10 VanDerWaalsContact NE-OE2 3.11Å; R4-E10 IonicContact NH1-OE2 3.7Å; R4-E10 IonicContact NH2-OE1 2.67Å; R4-E10 PolarHBondContact NH2-OE1 3.44Å; R4-E10 IonicContact NH2-OE2 3.01Å; R4-E10 PolarHBondContact NH2-OE2 3.02Å; L6-E10 HydrophobicContact CD2-CB 4.22Å; T7-E10 PolarHBondContact O-N 3.07Å |
| 11 | C | 64.1 | Low | 68.2 | Low | 26 Ų | 26 | 76.8 Ų | 76.8 | 18% | 0.176 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -96.1 | 130.7 | 178.6 | -64.7 | 0 | 0 | 0 | 0 | 110.7 | Q13 | C11-Q13 PolarHBondContact O-N 3.26Š|
| 12 | P | 67.2 | Low | 70.1 | Confident | 82 Ų | 82 | 69.3 Ų | 69.3 | 53% | 0.532 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -58 | 139.4 | 172.8 | 22.1 | -30.1 | 0 | 0 | 0 | 110.7 | G14 V15 | P12-G14 PolarHBondContact O-N 3.08Å; P12-V15 HydrophobicContact CG-CB 4.38Å; P12-V15 HydrophobicContact CG-CG2 3.77Å; P12-V15 PolarHBondContact O-N 3.24Å; P12-V15 VanDerWaalsContact O-N 3.16Å |
| 13 | Q | 61.9 | Low | 72.2 | Confident | 152 Ų | 152 | 65.4 Ų | 65.4 | 71% | 0.71 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 127.2 | -178.1 | -76.4 | 156.5 | -18.2 | 0 | 0 | 110.7 | C11 | C11-Q13 PolarHBondContact O-N 3.26Š|
| 14 | G | 73.2 | Confident | 74 | Confident | 26 Ų | 26 | 61 Ų | 61 | 27% | 0.268 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.1 | -24 | 180 | 0 | 0 | 0 | 0 | 0 | 115.6 | P12 D17 V18 | P12-G14 PolarHBondContact O-N 3.08Å; G14-D17 PolarHBondContact O-N 3.11Å; G14-V18 WeakPolarHBondContact O-CG2 3.27Å; G14-V18 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-N 3.1Å |
| 15 | V | 80.7 | Confident | 75.2 | Confident | 58 Ų | 58 | 58.3 Ų | 58.3 | 35% | 0.352 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.7 | -41 | 177.2 | 174.4 | 0 | 0 | 0 | 0 | 111 | P12 D17 V18 V19 F48 | P12-V15 HydrophobicContact CG-CB 4.38Å; P12-V15 HydrophobicContact CG-CG2 3.77Å; P12-V15 PolarHBondContact O-N 3.24Å; P12-V15 VanDerWaalsContact O-N 3.16Å; V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.44Å; V15-V18 PolarHBondContact O-N 2.88Å; V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 2.64Å; V15-F48 HydrophobicContact CG1-CE1 4.24Å; V15-F48 HydrophobicContact CG1-CZ 4.21Å |
| 16 | L | 82.8 | Confident | 76.6 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 175.6 | -175.3 | 138.2 | 0 | 0 | 0 | 111.1 | V18 V19 E20 | L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.13Å; L16-V19 PolarHBondContact O-N 3.36Å; L16-E20 VanDerWaalsContact CD2-CD 3.43Å; L16-E20 HydrophobicContact CD2-CG 4.13Å; L16-E20 WeakPolarHBondContact CD2-OE1 3.43Å; L16-E20 HydrophobicContact CG-CG 4.35Å; L16-E20 WeakPolarHBondContact O-CB 3.35Å; L16-E20 WeakPolarHBondContact O-CG 3.04Å; L16-E20 PolarHBondContact O-N 3.34Å |
| 17 | D | 83.1 | Confident | 78.1 | Confident | 108 Ų | 108 | 56.2 Ų | 56.2 | 58% | 0.578 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -61.5 | -39.3 | 178 | -58.2 | -14 | 0 | 0 | 0 | 112.4 | G14 V15 G21 | G14-D17 PolarHBondContact O-N 3.11Å; V15-D17 VanDerWaalsContact C-N 3.34Å; V15-D17 PolarHBondContact O-N 3.44Å; D17-G21 PolarHBondContact O-N 2.93Å |
| 18 | V | 85.8 | Confident | 79.5 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 177.3 | 172.6 | 0 | 0 | 0 | 0 | 111 | G14 V15 L16 G21 A22 P104 | G14-V18 WeakPolarHBondContact O-CG2 3.27Å; G14-V18 PolarHBondContact O-N 3.48Å; G14-V18 VanDerWaalsContact O-N 3.1Å; V15-V18 PolarHBondContact O-N 2.88Å; L16-V18 VanDerWaalsContact C-N 3.33Å; L16-V18 PolarHBondContact O-N 3.13Å; V18-G21 PolarHBondContact O-N 2.79Å; V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.08Å; V18-P104 HydrophobicContact CG2-CB 4.02Å; V18-P104 HydrophobicContact CG2-CG 4.31Å |
| 19 | V | 88.3 | Confident | 80.9 | Confident | 18 Ų | 18 | 55.6 Ų | 55.6 | 11% | 0.109 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.3 | -44.7 | 178.8 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V15 L16 G21 A22 I23 F47 F48 | V15-V19 HydrophobicContact CG1-CG2 4.45Å; V15-V19 WeakPolarHBondContact O-CG2 3.48Å; V15-V19 PolarHBondContact O-N 2.64Å; L16-V19 PolarHBondContact O-N 3.36Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 3.46Å; V19-A22 PolarHBondContact O-N 3.46Å; V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 HydrophobicContact CG1-CG1 4.45Å; V19-I23 WeakPolarHBondContact O-CB 3.5Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.05Å; V19-I23 PolarHBondContact O-N 2.99Å; V19-F47 HydrophobicContact CG1-CD1 3.61Å; V19-F47 HydrophobicContact CG1-CE1 4.08Å; V19-F47 HydrophobicContact CG1-CG 4.35Å; V19-F47 HydrophobicContact CG2-CD1 4.42Å; V19-F47 HydrophobicContact CG2-CE1 4.15Å; V19-F48 HydrophobicContact CB-CE2 4.45Å; V19-F48 HydrophobicContact CB-CZ 3.98Å; V19-F48 HydrophobicContact CG1-CE2 4.19Å; V19-F48 HydrophobicContact CG1-CZ 4.07Å; V19-F48 HydrophobicContact CG2-CE1 3.95Å; V19-F48 HydrophobicContact CG2-CZ 3.65Å |
| 20 | E | 88.3 | Confident | 82.3 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 13% | 0.131 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -60.9 | -40.7 | 174.5 | -74.1 | -171.4 | 168.3 | 0 | 0 | 111.6 | L16 I23 G24 L40 | L16-E20 VanDerWaalsContact CD2-CD 3.43Å; L16-E20 HydrophobicContact CD2-CG 4.13Å; L16-E20 WeakPolarHBondContact CD2-OE1 3.43Å; L16-E20 HydrophobicContact CG-CG 4.35Å; L16-E20 WeakPolarHBondContact O-CB 3.35Å; L16-E20 WeakPolarHBondContact O-CG 3.04Å; L16-E20 PolarHBondContact O-N 3.34Å; E20-I23 PolarHBondContact O-N 3.14Å; E20-G24 PolarHBondContact O-N 3.05Å; E20-L40 HydrophobicContact CB-CD1 4.27Å; E20-L40 HydrophobicContact CB-CD2 4.17Å; E20-L40 HydrophobicContact CB-CG 4.32Å; E20-L40 HydrophobicContact CG-CD1 4.36Å; E20-L40 HydrophobicContact CG-CD2 4.21Å; E20-L40 HydrophobicContact CG-CG 4.05Å |
| 21 | G | 87.4 | Confident | 83.6 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 26% | 0.258 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.4 | -40.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D17 V18 V19 G24 Y25 | D17-G21 PolarHBondContact O-N 2.93Å; V18-G21 PolarHBondContact O-N 2.79Å; V19-G21 VanDerWaalsContact C-N 3.32Å; V19-G21 PolarHBondContact O-N 3.46Å; G21-G24 PolarHBondContact O-N 2.71Å; G21-Y25 PolarHBondContact O-N 2.82Å |
| 22 | A | 89 | Confident | 85 | Confident | 44 Ų | 44 | 63.3 Ų | 63.3 | 36% | 0.364 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -66.7 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | V18 V19 Y25 L26 | V18-A22 WeakPolarHBondContact O-CB 3.45Å; V18-A22 PolarHBondContact O-N 3.08Å; V19-A22 PolarHBondContact O-N 3.46Å; A22-Y25 PolarHBondContact O-N 2.84Å; A22-L26 WeakPolarHBondContact O-CG 3.47Å; A22-L26 PolarHBondContact O-N 3.29Å |
| 23 | I | 91.5 | Very high | 86.3 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.062 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 174.8 | -70.8 | 166.3 | 0 | 0 | 0 | 110.5 | V19 E20 Y25 L26 A27 L40 L43 S44 | V19-I23 HydrophobicContact CG1-CD1 3.78Å; V19-I23 HydrophobicContact CG1-CG1 4.45Å; V19-I23 WeakPolarHBondContact O-CB 3.5Å; V19-I23 VanDerWaalsContact O-CG1 3.28Å; V19-I23 WeakPolarHBondContact O-CG1 3.05Å; V19-I23 PolarHBondContact O-N 2.99Å; E20-I23 PolarHBondContact O-N 3.14Å; I23-Y25 VanDerWaalsContact C-N 3.32Å; I23-Y25 PolarHBondContact O-N 3.48Å; I23-L26 PolarHBondContact O-N 2.99Å; I23-A27 PolarHBondContact O-N 3.49Å; I23-L40 HydrophobicContact CB-CD1 4.16Å; I23-L40 HydrophobicContact CG2-CD1 3.73Å; I23-L43 HydrophobicContact CD1-CG 4.25Å; I23-L43 HydrophobicContact CG1-CG 4.49Å; I23-L43 HydrophobicContact CG2-CB 4.36Å; I23-L43 HydrophobicContact CG2-CD2 3.35Å; I23-L43 HydrophobicContact CG2-CG 3.86Å; I23-S44 VanDerWaalsContact CD1-CA 3.5Å |
| 24 | G | 89.6 | Confident | 87.7 | Confident | 20 Ų | 20 | 63 Ų | 63 | 21% | 0.206 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.3 | -42.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | E20 G21 A27 L28 | E20-G24 PolarHBondContact O-N 3.05Å; G21-G24 PolarHBondContact O-N 2.71Å; G24-A27 PolarHBondContact O-N 3.08Å; G24-L28 WeakPolarHBondContact O-CG 3.46Å; G24-L28 PolarHBondContact O-N 3.41Å |
| 25 | Y | 86.7 | Confident | 88.6 | Confident | 66 Ų | 66 | 65.1 Ų | 65.1 | 26% | 0.259 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -64.8 | -41.2 | 175.4 | -179.6 | -112.1 | 0 | 0 | 0 | 113.1 | G21 A22 I23 L28 S29 R96 Y98 | G21-Y25 PolarHBondContact O-N 2.82Å; A22-Y25 PolarHBondContact O-N 2.84Å; I23-Y25 VanDerWaalsContact C-N 3.32Å; I23-Y25 PolarHBondContact O-N 3.48Å; Y25-L28 PolarHBondContact O-N 3.05Å; Y25-S29 PolarHBondContact O-N 2.92Å; Y25-R96 PolarHBondContact OH-O 3.41Å; Y25-Y98 AromaticContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CG 4.19Å; Y25-Y98 AromaticContact CD2-CD2 3.14Å; Y25-Y98 HydrophobicContact CD2-CD2 3.14Å; Y25-Y98 AromaticContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CE2 3.47Å; Y25-Y98 VanDerWaalsContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CG 4.22Å; Y25-Y98 HydrophobicContact CE1-CD2 4.3Å; Y25-Y98 AromaticContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CE2 4.28Å; Y25-Y98 AromaticContact CG-CD2 3.24Å; Y25-Y98 HydrophobicContact CG-CD2 3.24Å; Y25-Y98 AromaticContact CG-CE2 3.69Å; Y25-Y98 HydrophobicContact CG-CE2 3.69Å; Y25-Y98 AromaticContact CG-CG 3.95Å; Y25-Y98 HydrophobicContact CG-CG 3.95Å |
| 26 | L | 89.2 | Confident | 89.2 | Confident | 99 Ų | 99 | 69.3 Ų | 69.3 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 176.9 | -77.5 | 168.8 | 0 | 0 | 0 | 111.2 | A22 I23 L28 S29 V30 | A22-L26 WeakPolarHBondContact O-CG 3.47Å; A22-L26 PolarHBondContact O-N 3.29Å; I23-L26 PolarHBondContact O-N 2.99Å; L26-L28 PolarHBondContact O-N 2.76Å; L26-S29 WeakPolarHBondContact O-CA 3.26Å; L26-S29 WeakPolarHBondContact O-CB 3.2Å; L26-S29 PolarHBondContact O-N 3.43Å; L26-S29 VanDerWaalsContact O-N 3.08Å; L26-S29 PolarHBondContact O-OG 2.84Å; L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.18Å; L26-V30 VanDerWaalsContact O-N 3.08Å |
| 27 | A | 90.8 | Very high | 89.5 | Confident | 16 Ų | 16 | 72.9 Ų | 72.9 | 13% | 0.132 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.2 | -42.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | I23 G24 S29 V30 G31 Y32 I35 | I23-A27 PolarHBondContact O-N 3.49Å; G24-A27 PolarHBondContact O-N 3.08Å; A27-S29 VanDerWaalsContact C-N 3.26Å; A27-S29 PolarHBondContact O-N 2.81Å; A27-V30 PolarHBondContact O-N 3.1Å; A27-V30 VanDerWaalsContact O-N 3.13Å; A27-G31 PolarHBondContact O-N 3.38Å; A27-G31 VanDerWaalsContact O-N 3.14Å; A27-Y32 HydrophobicContact CB-CD2 4.27Å; A27-Y32 PolarHBondContact O-N 3.39Å; A27-I35 HydrophobicContact CB-CD1 3.23Å; A27-I35 HydrophobicContact CB-CG1 3.86Å |
| 28 | L | 89.5 | Confident | 89.9 | Confident | 113 Ų | 113 | 70.5 Ų | 70.5 | 59% | 0.592 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.3 | -39.4 | 171.7 | -75.1 | 167.2 | 0 | 0 | 0 | 111.6 | G24 Y25 L26 V30 G31 Y32 | G24-L28 WeakPolarHBondContact O-CG 3.46Å; G24-L28 PolarHBondContact O-N 3.41Å; Y25-L28 PolarHBondContact O-N 3.05Å; L26-L28 PolarHBondContact O-N 2.76Å; L28-V30 VanDerWaalsContact C-N 3.26Å; L28-V30 PolarHBondContact O-N 3.44Å; L28-G31 PolarHBondContact O-N 2.84Å; L28-Y32 WeakPolarHBondContact CD2-O 3.38Å |
| 29 | S | 86.7 | Confident | 90.1 | Very high | 44 Ų | 44 | 70.4 Ų | 70.4 | 31% | 0.308 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -69.8 | -21.1 | 178.8 | 86.5 | 0 | 0 | 0 | 0 | 114.2 | Y25 L26 A27 K95 | Y25-S29 PolarHBondContact O-N 2.92Å; L26-S29 WeakPolarHBondContact O-CA 3.26Å; L26-S29 WeakPolarHBondContact O-CB 3.2Å; L26-S29 PolarHBondContact O-N 3.43Å; L26-S29 VanDerWaalsContact O-N 3.08Å; L26-S29 PolarHBondContact O-OG 2.84Å; A27-S29 VanDerWaalsContact C-N 3.26Å; A27-S29 PolarHBondContact O-N 2.81Å; S29-K95 PolarHBondContact OG-NZ 3Å |
| 30 | V | 89.3 | Confident | 90.2 | Very high | 101 Ų | 101 | 70.9 Ų | 70.9 | 61% | 0.612 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -87.5 | -19.2 | 175.2 | 175.7 | 0 | 0 | 0 | 0 | 111 | L26 A27 L28 Y32 | L26-V30 WeakPolarHBondContact O-CG2 3.5Å; L26-V30 PolarHBondContact O-N 3.18Å; L26-V30 VanDerWaalsContact O-N 3.08Å; A27-V30 PolarHBondContact O-N 3.1Å; A27-V30 VanDerWaalsContact O-N 3.13Å; L28-V30 VanDerWaalsContact C-N 3.26Å; L28-V30 PolarHBondContact O-N 3.44Å; V30-Y32 HydrophobicContact CB-CD2 4.1Å; V30-Y32 HydrophobicContact CB-CE2 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.05Å; V30-Y32 HydrophobicContact CG1-CE2 3.68Å |
| 31 | G | 90.9 | Very high | 90.2 | Very high | 62 Ų | 62 | 75.9 Ų | 75.9 | 64% | 0.639 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 113.8 | 8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A27 L28 | A27-G31 PolarHBondContact O-N 3.38Å; A27-G31 VanDerWaalsContact O-N 3.14Å; L28-G31 PolarHBondContact O-N 2.84Å |
| 32 | Y | 93.2 | Very high | 90.4 | Very high | 149 Ų | 149 | 78.7 Ų | 78.7 | 58% | 0.584 | 45% | 0.445 | S | S | * | . | trans | -75.4 | 134.2 | 174.1 | -66.8 | -83.3 | 0 | 0 | 0 | 110.7 | A27 L28 V30 | A27-Y32 HydrophobicContact CB-CD2 4.27Å; A27-Y32 PolarHBondContact O-N 3.39Å; L28-Y32 WeakPolarHBondContact CD2-O 3.38Å; V30-Y32 HydrophobicContact CB-CD2 4.1Å; V30-Y32 HydrophobicContact CB-CE2 4.19Å; V30-Y32 HydrophobicContact CG1-CD2 4.05Å; V30-Y32 HydrophobicContact CG1-CE2 3.68Å | ||
| 33 | T | 93.6 | Very high | 90.5 | Very high | 135 Ų | 135 | 80.7 Ų | 80.7 | 83% | 0.828 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -88.8 | -25.6 | 176.8 | 54 | 0 | 0 | 0 | 0 | 113 | ||
| 34 | S | 91.7 | Very high | 90.5 | Very high | 93 Ų | 93 | 80.2 Ų | 80.2 | 65% | 0.65 | 45% | 0.447 | S | S | * | . | trans | -149.3 | 154.2 | -178.7 | 58.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 35 | I | 91.6 | Very high | 90.4 | Very high | 69 Ų | 69 | 80.7 Ų | 80.7 | 35% | 0.354 | 45% | 0.445 | S | S | . | . | trans | -129.9 | 133.8 | 175.4 | -61.7 | 169.8 | 0 | 0 | 0 | 107.5 | A27 A39 L40 | A27-I35 HydrophobicContact CB-CD1 3.23Å; A27-I35 HydrophobicContact CB-CG1 3.86Å; I35-A39 HydrophobicContact CG2-CB 4.39Å; I35-L40 HydrophobicContact CG2-CB 4.12Å | ||
| 36 | E | 93.9 | Very high | 90.7 | Very high | 147 Ų | 147 | 82 Ų | 82 | 69% | 0.687 | 46% | 0.456 | S | S | * | . | trans | -68.6 | 138.2 | 173.2 | -170.1 | -178.5 | 174.2 | 0 | 0 | 111 | A38 A39 L40 | E36-A38 HydrophobicContact CG-CB 4.44Å; E36-A38 PolarHBondContact O-N 3Å; E36-A39 HydrophobicContact CB-CB 4.38Å; E36-A39 WeakPolarHBondContact O-CB 3.39Å; E36-A39 PolarHBondContact O-N 3.23Å; E36-L40 PolarHBondContact O-N 3.43Å | ||
| 37 | Y | 89.8 | Confident | 90.8 | Very high | 130 Ų | 130 | 81.8 Ų | 81.8 | 51% | 0.51 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -58.9 | -35.1 | -176.9 | -172.9 | -108.2 | 0 | 0 | 0 | 113.4 | L40 R41 | Y37-L40 PolarHBondContact O-N 2.99Å; Y37-R41 HydrophobicContact CE1-CG 4.49Å; Y37-R41 PolarHBondContact O-N 3.39Å; Y37-R41 VanDerWaalsContact OH-CZ 3.28Å; Y37-R41 PolarHBondContact OH-NE 3.02Å; Y37-R41 VanDerWaalsContact OH-NE 3.15Å; Y37-R41 PolarHBondContact OH-NH2 3.07Å |
| 38 | A | 90.3 | Very high | 90.7 | Very high | 58 Ų | 58 | 82.4 Ų | 82.4 | 48% | 0.479 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63 | -44.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | E36 R41 V42 | E36-A38 HydrophobicContact CG-CB 4.44Å; E36-A38 PolarHBondContact O-N 3Å; A38-R41 PolarHBondContact O-N 3.45Å; A38-V42 WeakPolarHBondContact O-CG2 3.23Å; A38-V42 PolarHBondContact O-N 3.33Å |
| 39 | A | 91.6 | Very high | 90.7 | Very high | 49 Ų | 49 | 78.4 Ų | 78.4 | 41% | 0.405 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.6 | -39.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | I35 E36 R41 V42 L43 | I35-A39 HydrophobicContact CG2-CB 4.39Å; E36-A39 HydrophobicContact CB-CB 4.38Å; E36-A39 WeakPolarHBondContact O-CB 3.39Å; E36-A39 PolarHBondContact O-N 3.23Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.47Å; A39-V42 PolarHBondContact O-N 3.01Å; A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 PolarHBondContact O-N 3.01Å |
| 40 | L | 90.4 | Very high | 91 | Very high | 28 Ų | 28 | 79.5 Ų | 79.5 | 15% | 0.147 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 177.4 | -176.9 | 64.5 | 0 | 0 | 0 | 111.9 | E20 I23 I35 E36 Y37 L43 S44 | E20-L40 HydrophobicContact CB-CD1 4.27Å; E20-L40 HydrophobicContact CB-CD2 4.17Å; E20-L40 HydrophobicContact CB-CG 4.32Å; E20-L40 HydrophobicContact CG-CD1 4.36Å; E20-L40 HydrophobicContact CG-CD2 4.21Å; E20-L40 HydrophobicContact CG-CG 4.05Å; I23-L40 HydrophobicContact CB-CD1 4.16Å; I23-L40 HydrophobicContact CG2-CD1 3.73Å; I35-L40 HydrophobicContact CG2-CB 4.12Å; E36-L40 PolarHBondContact O-N 3.43Å; Y37-L40 PolarHBondContact O-N 2.99Å; L40-L43 PolarHBondContact O-N 3.1Å; L40-S44 PolarHBondContact O-N 3.47Å; L40-S44 PolarHBondContact O-OG 3.29Å |
| 41 | R | 86.9 | Confident | 91.1 | Very high | 133 Ų | 133 | 77.7 Ų | 77.7 | 50% | 0.502 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 177 | -78.1 | -165 | 179.7 | 159.9 | -1.9 | 113.7 | Y37 A38 A39 S44 N45 | Y37-R41 HydrophobicContact CE1-CG 4.49Å; Y37-R41 PolarHBondContact O-N 3.39Å; Y37-R41 VanDerWaalsContact OH-CZ 3.28Å; Y37-R41 PolarHBondContact OH-NE 3.02Å; Y37-R41 VanDerWaalsContact OH-NE 3.15Å; Y37-R41 PolarHBondContact OH-NH2 3.07Å; A38-R41 PolarHBondContact O-N 3.45Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.47Å; R41-S44 WeakPolarHBondContact CA-OG 3.36Å; R41-S44 PolarHBondContact O-OG 3.27Å; R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 2.87Å; R41-N45 VanDerWaalsContact O-N 3.13Å; R41-N45 PolarHBondContact O-ND2 3.28Å |
| 42 | V | 91.3 | Very high | 91.2 | Very high | 85 Ų | 85 | 78.6 Ų | 78.6 | 52% | 0.515 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 176.4 | 176.3 | 0 | 0 | 0 | 0 | 109.4 | A38 A39 S44 N45 I46 | A38-V42 WeakPolarHBondContact O-CG2 3.23Å; A38-V42 PolarHBondContact O-N 3.33Å; A39-V42 PolarHBondContact O-N 3.01Å; V42-S44 PolarHBondContact O-N 2.98Å; V42-N45 PolarHBondContact O-N 2.79Å; V42-I46 HydrophobicContact CG1-CD1 3.81Å; V42-I46 HydrophobicContact CG1-CG1 4.42Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.2Å; V42-I46 PolarHBondContact O-N 2.93Å |
| 43 | L | 92.5 | Very high | 91.1 | Very high | 85 Ų | 85 | 73.4 Ų | 73.4 | 45% | 0.445 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | -179.1 | -171.7 | 54.4 | 0 | 0 | 0 | 112.4 | I23 A39 L40 I46 F47 | I23-L43 HydrophobicContact CD1-CG 4.25Å; I23-L43 HydrophobicContact CG1-CG 4.49Å; I23-L43 HydrophobicContact CG2-CB 4.36Å; I23-L43 HydrophobicContact CG2-CD2 3.35Å; I23-L43 HydrophobicContact CG2-CG 3.86Å; A39-L43 WeakPolarHBondContact O-CB 3.44Å; A39-L43 PolarHBondContact O-N 3.01Å; L40-L43 PolarHBondContact O-N 3.1Å; L43-I46 PolarHBondContact O-N 3.47Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 PolarHBondContact O-N 3.11Å |
| 44 | S | 90.3 | Very high | 91.2 | Very high | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -64.7 | -43.4 | 173.1 | 64 | 0 | 0 | 0 | 0 | 111.8 | I23 L40 R41 V42 I46 F47 F48 | I23-S44 VanDerWaalsContact CD1-CA 3.5Å; L40-S44 PolarHBondContact O-N 3.47Å; L40-S44 PolarHBondContact O-OG 3.29Å; R41-S44 WeakPolarHBondContact CA-OG 3.36Å; R41-S44 PolarHBondContact O-OG 3.27Å; V42-S44 PolarHBondContact O-N 2.98Å; S44-I46 PolarHBondContact O-N 3.49Å; S44-F47 WeakPolarHBondContact O-CB 3.34Å; S44-F47 PolarHBondContact O-N 2.89Å; S44-F48 WeakPolarHBondContact O-CD2 3.44Å; S44-F48 PolarHBondContact O-N 3.21Å |
| 45 | N | 88.8 | Confident | 91.3 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 16% | 0.16 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 173.8 | -78.4 | -38.7 | 0 | 0 | 0 | 112.9 | L6 R41 V42 F47 F48 S49 | L6-N45 WeakPolarHBondContact CB-OD1 3.32Å; R41-N45 WeakPolarHBondContact O-CB 3.33Å; R41-N45 PolarHBondContact O-N 2.87Å; R41-N45 VanDerWaalsContact O-N 3.13Å; R41-N45 PolarHBondContact O-ND2 3.28Å; V42-N45 PolarHBondContact O-N 2.79Å; N45-F47 VanDerWaalsContact C-N 3.33Å; N45-F48 PolarHBondContact O-N 2.92Å; N45-S49 WeakPolarHBondContact O-CB 3.31Å; N45-S49 PolarHBondContact O-N 3.41Å; N45-S49 PolarHBondContact O-OG 3.4Å |
| 46 | I | 92.2 | Very high | 91.3 | Very high | 95 Ų | 95 | 67.7 Ų | 67.7 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 175 | -71.2 | 167.4 | 0 | 0 | 0 | 110.3 | V42 L43 S44 F48 S49 F50 | V42-I46 HydrophobicContact CG1-CD1 3.81Å; V42-I46 HydrophobicContact CG1-CG1 4.42Å; V42-I46 VanDerWaalsContact O-CG1 3.28Å; V42-I46 WeakPolarHBondContact O-CG1 3.2Å; V42-I46 PolarHBondContact O-N 2.93Å; L43-I46 PolarHBondContact O-N 3.47Å; S44-I46 PolarHBondContact O-N 3.49Å; I46-F48 PolarHBondContact O-N 3.13Å; I46-S49 PolarHBondContact O-N 2.87Å; I46-F50 VanDerWaalsContact O-CB 3.29Å; I46-F50 WeakPolarHBondContact O-CB 3.46Å; I46-F50 PolarHBondContact O-N 3.09Å |
| 47 | F | 91.5 | Very high | 91.3 | Very high | 93 Ų | 93 | 61.5 Ų | 61.5 | 41% | 0.408 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -45 | 178.9 | 175.5 | -97.9 | 0 | 0 | 0 | 112.4 | V19 L43 S44 N45 F50 T51 | V19-F47 HydrophobicContact CG1-CD1 3.61Å; V19-F47 HydrophobicContact CG1-CE1 4.08Å; V19-F47 HydrophobicContact CG1-CG 4.35Å; V19-F47 HydrophobicContact CG2-CD1 4.42Å; V19-F47 HydrophobicContact CG2-CE1 4.15Å; L43-F47 WeakPolarHBondContact O-CB 3.43Å; L43-F47 PolarHBondContact O-N 3.11Å; S44-F47 WeakPolarHBondContact O-CB 3.34Å; S44-F47 PolarHBondContact O-N 2.89Å; N45-F47 VanDerWaalsContact C-N 3.33Å; F47-F50 PolarHBondContact O-N 3.28Å; F47-T51 PolarHBondContact O-N 3.36Å; F47-T51 PolarHBondContact O-OG1 2.72Å |
| 48 | F | 88.9 | Confident | 91.5 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 13% | 0.127 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 176.2 | -71.1 | -61.6 | 0 | 0 | 0 | 112.2 | L6 V15 V19 S44 N45 I46 F50 T51 E52 | L6-F48 HydrophobicContact CD1-CB 3.28Å; L6-F48 HydrophobicContact CD1-CD1 4.31Å; L6-F48 HydrophobicContact CD1-CD2 3.33Å; L6-F48 HydrophobicContact CD1-CE2 4.21Å; L6-F48 HydrophobicContact CD1-CG 3.4Å; V15-F48 HydrophobicContact CG1-CE1 4.24Å; V15-F48 HydrophobicContact CG1-CZ 4.21Å; V19-F48 HydrophobicContact CB-CE2 4.45Å; V19-F48 HydrophobicContact CB-CZ 3.98Å; V19-F48 HydrophobicContact CG1-CE2 4.19Å; V19-F48 HydrophobicContact CG1-CZ 4.07Å; V19-F48 HydrophobicContact CG2-CE1 3.95Å; V19-F48 HydrophobicContact CG2-CZ 3.65Å; S44-F48 WeakPolarHBondContact O-CD2 3.44Å; S44-F48 PolarHBondContact O-N 3.21Å; N45-F48 PolarHBondContact O-N 2.92Å; I46-F48 PolarHBondContact O-N 3.13Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 3.44Å; F48-T51 PolarHBondContact O-N 2.76Å; F48-E52 WeakPolarHBondContact O-CG 3.42Å; F48-E52 PolarHBondContact O-N 3.02Å |
| 49 | S | 89.9 | Confident | 91.7 | Very high | 30 Ų | 30 | 55.8 Ų | 55.8 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.7 | -40.3 | 177.6 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | N45 I46 D53 | N45-S49 WeakPolarHBondContact O-CB 3.31Å; N45-S49 PolarHBondContact O-N 3.41Å; N45-S49 PolarHBondContact O-OG 3.4Å; I46-S49 PolarHBondContact O-N 2.87Å; S49-D53 WeakPolarHBondContact O-CB 3.36Å; S49-D53 PolarHBondContact O-N 3.3Å |
| 50 | F | 92.9 | Very high | 91.8 | Very high | 66 Ų | 66 | 59.1 Ų | 59.1 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 174.3 | 168.2 | -104.2 | 0 | 0 | 0 | 112.2 | I46 F47 F48 E52 D53 L54 L79 L82 F84 | I46-F50 VanDerWaalsContact O-CB 3.29Å; I46-F50 WeakPolarHBondContact O-CB 3.46Å; I46-F50 PolarHBondContact O-N 3.09Å; F47-F50 PolarHBondContact O-N 3.28Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 3.44Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-E52 PolarHBondContact O-N 3.03Å; F50-D53 PolarHBondContact O-N 2.88Å; F50-L54 HydrophobicContact CZ-CD2 4.4Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 PolarHBondContact O-N 3.42Å; F50-L79 HydrophobicContact CZ-CD2 4.23Å; F50-L82 HydrophobicContact CD2-CD1 4.3Å; F50-L82 HydrophobicContact CE2-CD1 3.8Å; F50-F84 HydrophobicContact CD2-CE2 4.32Å; F50-F84 HydrophobicContact CE2-CD2 4.26Å; F50-F84 AromaticContact CE2-CE2 3.38Å; F50-F84 HydrophobicContact CE2-CE2 3.38Å; F50-F84 AromaticContact CE2-CZ 3.7Å; F50-F84 HydrophobicContact CE2-CZ 3.7Å; F50-F84 AromaticContact CZ-CE2 3.91Å; F50-F84 HydrophobicContact CZ-CE2 3.91Å; F50-F84 AromaticContact CZ-CZ 3.96Å; F50-F84 HydrophobicContact CZ-CZ 3.96Å |
| 51 | T | 91.8 | Very high | 92 | Very high | 63 Ų | 63 | 59.2 Ų | 59.2 | 39% | 0.387 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | F47 F48 A55 | F47-T51 PolarHBondContact O-N 3.36Å; F47-T51 PolarHBondContact O-OG1 2.72Å; F48-T51 PolarHBondContact O-N 2.76Å; T51-A55 WeakPolarHBondContact O-CB 3.48Å; T51-A55 PolarHBondContact O-N 3.27Å |
| 52 | E | 91.6 | Very high | 92.3 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 38% | 0.379 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.1 | -48.4 | 174.5 | -71.5 | -178.5 | -175.7 | 0 | 0 | 111.9 | F48 F50 L54 A55 V56 | F48-E52 WeakPolarHBondContact O-CG 3.42Å; F48-E52 PolarHBondContact O-N 3.02Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-E52 PolarHBondContact O-N 3.03Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.41Å; E52-A55 PolarHBondContact O-N 2.97Å; E52-A55 VanDerWaalsContact O-N 3.14Å; E52-V56 WeakPolarHBondContact O-CG2 3.21Å; E52-V56 PolarHBondContact O-N 2.93Å |
| 53 | D | 92.3 | Very high | 92.5 | Very high | 41 Ų | 41 | 54.7 Ų | 54.7 | 22% | 0.219 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.8 | -87.2 | -2.9 | 0 | 0 | 0 | 110.6 | M1 S49 F50 S57 | M1-D53 VanDerWaalsContact CA-OD2 3.26Å; M1-D53 WeakPolarHBondContact CA-OD2 3.37Å; M1-D53 PolarHBondContact N-OD2 3.39Å; S49-D53 WeakPolarHBondContact O-CB 3.36Å; S49-D53 PolarHBondContact O-N 3.3Å; F50-D53 PolarHBondContact O-N 2.88Å; D53-S57 WeakPolarHBondContact O-CB 3.49Å; D53-S57 PolarHBondContact O-N 3.43Å |
| 54 | L | 94.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 15% | 0.152 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 174.5 | 179.1 | 63.4 | 0 | 0 | 0 | 112.3 | F50 E52 S57 S58 L79 L82 | F50-L54 HydrophobicContact CZ-CD2 4.4Å; F50-L54 WeakPolarHBondContact O-CB 3.37Å; F50-L54 PolarHBondContact O-N 3.42Å; E52-L54 VanDerWaalsContact C-N 3.29Å; E52-L54 PolarHBondContact O-N 3.41Å; L54-S57 PolarHBondContact O-N 3.39Å; L54-S58 WeakPolarHBondContact O-CB 3.46Å; L54-S58 PolarHBondContact O-N 2.94Å; L54-S58 PolarHBondContact O-OG 2.91Å; L54-L79 HydrophobicContact CD1-CD2 3.84Å; L54-L79 HydrophobicContact CD1-CG 3.89Å; L54-L79 HydrophobicContact CD2-CD2 4Å; L54-L82 HydrophobicContact CB-CD1 3.95Å; L54-L82 HydrophobicContact CD1-CD1 3.93Å |
| 55 | A | 93.5 | Very high | 92.6 | Very high | 49 Ų | 49 | 58.5 Ų | 58.5 | 41% | 0.405 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.5 | -43.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | T51 E52 S58 L59 | T51-A55 WeakPolarHBondContact O-CB 3.48Å; T51-A55 PolarHBondContact O-N 3.27Å; E52-A55 PolarHBondContact O-N 2.97Å; E52-A55 VanDerWaalsContact O-N 3.14Å; A55-S58 PolarHBondContact O-N 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.37Å; A55-L59 PolarHBondContact O-N 2.91Å |
| 56 | V | 93 | Very high | 92.8 | Very high | 98 Ų | 98 | 60.6 Ų | 60.6 | 59% | 0.594 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.3 | -45 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | E52 S58 L59 M60 | E52-V56 WeakPolarHBondContact O-CG2 3.21Å; E52-V56 PolarHBondContact O-N 2.93Å; V56-S58 PolarHBondContact O-N 3.25Å; V56-L59 PolarHBondContact O-N 3.47Å; V56-M60 WeakPolarHBondContact O-CB 3.41Å; V56-M60 PolarHBondContact O-N 3.07Å |
| 57 | S | 93.2 | Very high | 92.8 | Very high | 17 Ų | 17 | 59.1 Ų | 59.1 | 12% | 0.119 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -45 | 176.1 | 172.7 | 0 | 0 | 0 | 0 | 111.8 | D53 L54 L59 M60 N61 G78 | D53-S57 WeakPolarHBondContact O-CB 3.49Å; D53-S57 PolarHBondContact O-N 3.43Å; L54-S57 PolarHBondContact O-N 3.39Å; S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.85Å; S57-M60 PolarHBondContact O-N 3.33Å; S57-N61 PolarHBondContact O-N 2.82Å; S57-N61 PolarHBondContact O-ND2 2.9Å; S57-G78 VanDerWaalsContact OG-CA 3.27Å; S57-G78 WeakPolarHBondContact OG-CA 3.36Å |
| 58 | S | 94.5 | Very high | 92.8 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.021 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 177.4 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | L54 A55 V56 N61 A62 | L54-S58 WeakPolarHBondContact O-CB 3.46Å; L54-S58 PolarHBondContact O-N 2.94Å; L54-S58 PolarHBondContact O-OG 2.91Å; A55-S58 PolarHBondContact O-N 3.26Å; V56-S58 PolarHBondContact O-N 3.25Å; S58-N61 PolarHBondContact O-N 2.99Å; S58-A62 PolarHBondContact O-N 3.41Å |
| 59 | L | 94.5 | Very high | 92.9 | Very high | 66 Ų | 66 | 63 Ų | 63 | 35% | 0.346 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 175.9 | -179.7 | 63.4 | 0 | 0 | 0 | 111.4 | A55 V56 S57 N61 A62 E63 I70 | A55-L59 WeakPolarHBondContact O-CB 3.37Å; A55-L59 PolarHBondContact O-N 2.91Å; V56-L59 PolarHBondContact O-N 3.47Å; S57-L59 VanDerWaalsContact C-N 3.35Å; S57-L59 PolarHBondContact O-N 2.85Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 2.91Å; L59-A62 CarbonylContact O-C 3.59Å; L59-A62 WeakPolarHBondContact O-CB 3.31Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-A62 VanDerWaalsContact O-N 3.07Å; L59-E63 HydrophobicContact CD1-CG 4.17Å; L59-E63 HydrophobicContact CG-CG 4.25Å; L59-E63 WeakPolarHBondContact O-CB 3.29Å; L59-E63 WeakPolarHBondContact O-CG 3.33Å; L59-E63 PolarHBondContact O-N 3.07Å; L59-I70 HydrophobicContact CB-CD1 4.37Å |
| 60 | M | 94.1 | Very high | 93.1 | Very high | 119 Ų | 119 | 65.3 Ų | 65.3 | 59% | 0.586 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.7 | -39.1 | 177 | -172.3 | 166.7 | 70.7 | 0 | 0 | 111.5 | V56 S57 S64 | V56-M60 WeakPolarHBondContact O-CB 3.41Å; V56-M60 PolarHBondContact O-N 3.07Å; S57-M60 PolarHBondContact O-N 3.33Å; M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.43Å |
| 61 | N | 93.3 | Very high | 93.2 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 16% | 0.16 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 173.7 | -72.6 | -25.7 | 0 | 0 | 0 | 111.9 | S57 S58 L59 S64 S65 D74 D81 | S57-N61 PolarHBondContact O-N 2.82Å; S57-N61 PolarHBondContact O-ND2 2.9Å; S58-N61 PolarHBondContact O-N 2.99Å; L59-N61 VanDerWaalsContact C-N 3.26Å; L59-N61 PolarHBondContact O-N 2.91Å; N61-S64 PolarHBondContact O-N 3Å; N61-S64 PolarHBondContact O-OG 3.19Å; N61-S65 PolarHBondContact O-N 3.46Å; N61-D74 HydrophobicContact CB-CB 4.25Å; N61-D81 PolarHBondContact ND2-OD2 3.45Å |
| 62 | A | 94.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | S58 L59 S65 G66 R67 I70 | S58-A62 PolarHBondContact O-N 3.41Å; L59-A62 CarbonylContact O-C 3.59Å; L59-A62 WeakPolarHBondContact O-CB 3.31Å; L59-A62 PolarHBondContact O-N 3.32Å; L59-A62 VanDerWaalsContact O-N 3.07Å; A62-S65 CarbonylContact O-C 3.6Å; A62-S65 WeakPolarHBondContact O-CA 3.33Å; A62-S65 WeakPolarHBondContact O-CB 3.27Å; A62-S65 PolarHBondContact O-N 3.23Å; A62-S65 VanDerWaalsContact O-N 3.09Å; A62-G66 PolarHBondContact O-N 3.32Å; A62-R67 CarbonylContact C-O 3.55Å; A62-R67 PolarHBondContact O-N 3.37Å; A62-I70 HydrophobicContact CB-CG1 4.39Å |
| 63 | E | 95.2 | Very high | 93.4 | Very high | 123 Ų | 123 | 68.5 Ų | 68.5 | 58% | 0.575 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 177.3 | -74.1 | 179.6 | 173.2 | 0 | 0 | 111.7 | L59 S65 G66 | L59-E63 HydrophobicContact CD1-CG 4.17Å; L59-E63 HydrophobicContact CG-CG 4.25Å; L59-E63 WeakPolarHBondContact O-CB 3.29Å; L59-E63 WeakPolarHBondContact O-CG 3.33Å; L59-E63 PolarHBondContact O-N 3.07Å; E63-S65 PolarHBondContact O-N 3.4Å; E63-G66 WeakPolarHBondContact O-CA 3.34Å; E63-G66 PolarHBondContact O-N 3.01Å |
| 64 | S | 92.4 | Very high | 93.6 | Very high | 98 Ų | 98 | 66.8 Ų | 66.8 | 69% | 0.685 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.9 | -28.7 | 173.9 | 79.1 | 0 | 0 | 0 | 0 | 112.7 | M60 N61 G66 | M60-S64 WeakPolarHBondContact O-CB 3.42Å; M60-S64 PolarHBondContact O-N 3.43Å; N61-S64 PolarHBondContact O-N 3Å; N61-S64 PolarHBondContact O-OG 3.19Å; S64-G66 VanDerWaalsContact C-N 3.29Å |
| 65 | S | 92.8 | Very high | 93.6 | Very high | 69 Ų | 69 | 68.4 Ų | 68.4 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -2.6 | 172.8 | -178.8 | 0 | 0 | 0 | 0 | 113.2 | N61 A62 E63 R67 | N61-S65 PolarHBondContact O-N 3.46Å; A62-S65 CarbonylContact O-C 3.6Å; A62-S65 WeakPolarHBondContact O-CA 3.33Å; A62-S65 WeakPolarHBondContact O-CB 3.27Å; A62-S65 PolarHBondContact O-N 3.23Å; A62-S65 VanDerWaalsContact O-N 3.09Å; E63-S65 PolarHBondContact O-N 3.4Å; S65-R67 VanDerWaalsContact C-N 3.3Å; S65-R67 PolarHBondContact O-N 2.98Å; S65-R67 PolarHBondContact OG-NE 3.4Å; S65-R67 PolarHBondContact OG-NH2 3.36Å |
| 66 | G | 93 | Very high | 93.6 | Very high | 73 Ų | 73 | 68.3 Ų | 68.3 | 75% | 0.753 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.4 | 16.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | A62 E63 S64 | A62-G66 PolarHBondContact O-N 3.32Å; E63-G66 WeakPolarHBondContact O-CA 3.34Å; E63-G66 PolarHBondContact O-N 3.01Å; S64-G66 VanDerWaalsContact C-N 3.29Å |
| 67 | R | 91.9 | Very high | 93.7 | Very high | 65 Ų | 65 | 67.7 Ų | 67.7 | 25% | 0.245 | 40% | 0.396 | C | S | . | . | trans | -105.8 | 144.7 | 179.1 | -68 | -178.9 | -75.6 | 110.3 | -6.3 | 110.3 | A62 S65 S69 D74 | A62-R67 CarbonylContact C-O 3.55Å; A62-R67 PolarHBondContact O-N 3.37Å; S65-R67 VanDerWaalsContact C-N 3.3Å; S65-R67 PolarHBondContact O-N 2.98Å; S65-R67 PolarHBondContact OG-NE 3.4Å; S65-R67 PolarHBondContact OG-NH2 3.36Å; R67-S69 PolarHBondContact NH1-O 3.32Å; R67-S69 VanDerWaalsContact NH1-O 3.13Å; R67-D74 IonicContact CZ-OD1 3.87Å; R67-D74 IonicContact CZ-OD2 2.69Å; R67-D74 IonicContact NH1-OD1 2.88Å; R67-D74 IonicContact NH1-OD2 3.73Å; R67-D74 PolarHBondContact NH1-OD2 3.28Å; R67-D74 IonicContact NH2-OD1 3.53Å; R67-D74 PolarHBondContact NH2-OD1 3.44Å; R67-D74 IonicContact NH2-OD2 3.54Å; R67-D74 PolarHBondContact NH2-OD2 2.91Å | ||
| 68 | T | 90.1 | Very high | 93.7 | Very high | 138 Ų | 138 | 66.9 Ų | 66.9 | 85% | 0.847 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -93.6 | -14.5 | 169.7 | 54.1 | 0 | 0 | 0 | 0 | 112.7 | ||
| 69 | S | 92.5 | Very high | 93.6 | Very high | 66 Ų | 66 | 68.1 Ų | 68.1 | 46% | 0.462 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -93.1 | 122.9 | 177.6 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | R67 L71 | R67-S69 PolarHBondContact NH1-O 3.32Å; R67-S69 VanDerWaalsContact NH1-O 3.13Å; S69-L71 PolarHBondContact O-N 2.88Å |
| 70 | I | 94.2 | Very high | 93.6 | Very high | 78 Ų | 78 | 69.2 Ų | 69.2 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 119.7 | 174.3 | -56.7 | 172.1 | 0 | 0 | 0 | 108.8 | L59 A62 D74 I75 | L59-I70 HydrophobicContact CB-CD1 4.37Å; A62-I70 HydrophobicContact CB-CG1 4.39Å; I70-D74 HydrophobicContact CG2-CB 4.17Å; I70-I75 HydrophobicContact CG2-CD1 4.19Å; I70-I75 HydrophobicContact CG2-CG1 3.73Å |
| 71 | L | 95 | Very high | 93.5 | Very high | 85 Ų | 85 | 68.4 Ų | 68.4 | 45% | 0.445 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -93.4 | 164.5 | 172.7 | -68.6 | 176.2 | 0 | 0 | 0 | 110.8 | S69 S73 D74 I75 | S69-L71 PolarHBondContact O-N 2.88Å; L71-S73 PolarHBondContact O-N 2.88Å; L71-D74 PolarHBondContact N-OD2 3.42Å; L71-D74 WeakPolarHBondContact O-CB 3.44Å; L71-D74 PolarHBondContact O-N 3.27Å; L71-I75 PolarHBondContact O-N 2.87Å |
| 72 | L | 94.6 | Very high | 93.4 | Very high | 132 Ų | 132 | 70 Ų | 70 | 69% | 0.691 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -55.8 | -36.8 | 174.4 | 179.7 | 62.2 | 0 | 0 | 0 | 112.1 | D74 I75 V76 | L72-D74 VanDerWaalsContact C-N 3.27Å; L72-D74 PolarHBondContact O-N 3.48Å; L72-I75 PolarHBondContact O-N 2.9Å; L72-V76 HydrophobicContact CD1-CG2 4.45Å; L72-V76 HydrophobicContact CG-CG2 4.42Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.27Å |
| 73 | S | 92.7 | Very high | 93.2 | Very high | 60 Ų | 60 | 73.1 Ų | 73.1 | 42% | 0.42 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59 | -38.4 | 175.9 | 53.1 | 0 | 0 | 0 | 0 | 112.8 | L71 I75 V76 L77 | L71-S73 PolarHBondContact O-N 2.88Å; S73-I75 VanDerWaalsContact C-N 3.34Å; S73-V76 PolarHBondContact O-N 2.7Å; S73-L77 WeakPolarHBondContact O-CG 3.29Å; S73-L77 PolarHBondContact O-N 3.24Å |
| 74 | D | 95.9 | Very high | 92.9 | Very high | 5 Ų | 5 | 72.6 Ų | 72.6 | 3% | 0.027 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -71.2 | -35.7 | -177.2 | -48.9 | -30.4 | 0 | 0 | 0 | 110 | N61 R67 I70 L71 L72 G78 | N61-D74 HydrophobicContact CB-CB 4.25Å; R67-D74 IonicContact CZ-OD1 3.87Å; R67-D74 IonicContact CZ-OD2 2.69Å; R67-D74 IonicContact NH1-OD1 2.88Å; R67-D74 IonicContact NH1-OD2 3.73Å; R67-D74 PolarHBondContact NH1-OD2 3.28Å; R67-D74 IonicContact NH2-OD1 3.53Å; R67-D74 PolarHBondContact NH2-OD1 3.44Å; R67-D74 IonicContact NH2-OD2 3.54Å; R67-D74 PolarHBondContact NH2-OD2 2.91Å; I70-D74 HydrophobicContact CG2-CB 4.17Å; L71-D74 PolarHBondContact N-OD2 3.42Å; L71-D74 WeakPolarHBondContact O-CB 3.44Å; L71-D74 PolarHBondContact O-N 3.27Å; L72-D74 VanDerWaalsContact C-N 3.27Å; L72-D74 PolarHBondContact O-N 3.48Å; D74-G78 PolarHBondContact O-N 2.92Å |
| 75 | I | 94.7 | Very high | 92.7 | Very high | 63 Ų | 63 | 73.5 Ų | 73.5 | 32% | 0.323 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -68.9 | -43.1 | 174 | -58.2 | 171.3 | 0 | 0 | 0 | 111.1 | I70 L71 L72 S73 L77 G78 L79 | I70-I75 HydrophobicContact CG2-CD1 4.19Å; I70-I75 HydrophobicContact CG2-CG1 3.73Å; L71-I75 PolarHBondContact O-N 2.87Å; L72-I75 PolarHBondContact O-N 2.9Å; S73-I75 VanDerWaalsContact C-N 3.34Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.46Å; I75-G78 PolarHBondContact O-N 3.44Å; I75-L79 HydrophobicContact CG2-CD1 4.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.22Å |
| 76 | V | 94.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 72 Ų | 72 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 175.9 | 167.7 | 0 | 0 | 0 | 0 | 110.5 | L72 S73 L79 I80 V86 | L72-V76 HydrophobicContact CD1-CG2 4.45Å; L72-V76 HydrophobicContact CG-CG2 4.42Å; L72-V76 WeakPolarHBondContact O-CG2 3.29Å; L72-V76 PolarHBondContact O-N 3.27Å; S73-V76 PolarHBondContact O-N 2.7Å; V76-L79 PolarHBondContact O-N 3.3Å; V76-I80 HydrophobicContact CG1-CD1 4.02Å; V76-I80 VanDerWaalsContact O-CG1 3.29Å; V76-I80 WeakPolarHBondContact O-CG1 3.47Å; V76-I80 PolarHBondContact O-N 2.9Å; V76-I80 VanDerWaalsContact O-N 3.08Å; V76-V86 HydrophobicContact CG1-CG1 4.17Å; V76-V86 HydrophobicContact CG1-CG2 4.22Å |
| 77 | L | 93.3 | Very high | 92.1 | Very high | 84 Ų | 84 | 72.5 Ų | 72.5 | 44% | 0.44 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 174.1 | -71.9 | 172.1 | 0 | 0 | 0 | 111.8 | S73 I75 L79 I80 D81 | S73-L77 WeakPolarHBondContact O-CG 3.29Å; S73-L77 PolarHBondContact O-N 3.24Å; I75-L77 VanDerWaalsContact C-N 3.32Å; I75-L77 PolarHBondContact O-N 3.46Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.01Å; L77-I80 WeakPolarHBondContact O-CB 3.36Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-I80 VanDerWaalsContact O-N 3.11Å; L77-D81 VanDerWaalsContact O-CG 3.29Å; L77-D81 PolarHBondContact O-N 3.49Å |
| 78 | G | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -61.8 | -35.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S57 D74 I75 D81 L82 | S57-G78 VanDerWaalsContact OG-CA 3.27Å; S57-G78 WeakPolarHBondContact OG-CA 3.36Å; D74-G78 PolarHBondContact O-N 2.92Å; I75-G78 PolarHBondContact O-N 3.44Å; G78-D81 PolarHBondContact O-N 2.91Å; G78-L82 WeakPolarHBondContact O-CG 3.38Å; G78-L82 PolarHBondContact O-N 3.36Å; G78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | L | 93.5 | Very high | 91.2 | Very high | 30 Ų | 30 | 69 Ų | 69 | 16% | 0.157 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 172.7 | -74.3 | 171.8 | 0 | 0 | 0 | 112 | F50 L54 I75 V76 L77 D81 L82 G83 F84 V86 | F50-L79 HydrophobicContact CZ-CD2 4.23Å; L54-L79 HydrophobicContact CD1-CD2 3.84Å; L54-L79 HydrophobicContact CD1-CG 3.89Å; L54-L79 HydrophobicContact CD2-CD2 4Å; I75-L79 HydrophobicContact CG2-CD1 4.43Å; I75-L79 WeakPolarHBondContact O-CG 3.49Å; I75-L79 PolarHBondContact O-N 3.22Å; V76-L79 PolarHBondContact O-N 3.3Å; L77-L79 VanDerWaalsContact C-N 3.3Å; L77-L79 PolarHBondContact O-N 3.01Å; L79-D81 VanDerWaalsContact C-N 3.34Å; L79-L82 PolarHBondContact O-N 3.34Å; L79-G83 PolarHBondContact O-N 2.94Å; L79-F84 HydrophobicContact CB-CB 4.26Å; L79-F84 HydrophobicContact CD2-CB 4.47Å; L79-F84 HydrophobicContact CD2-CD2 4.36Å; L79-F84 HydrophobicContact CD2-CG 4.38Å; L79-F84 WeakPolarHBondContact O-CB 3.39Å; L79-F84 PolarHBondContact O-N 2.71Å; L79-V86 HydrophobicContact CB-CG2 4.4Å |
| 80 | I | 93.2 | Very high | 90.5 | Very high | 88 Ų | 88 | 73 Ų | 73 | 45% | 0.451 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 176.1 | -66.2 | 164 | 0 | 0 | 0 | 110.4 | V76 L77 L82 G83 V86 | V76-I80 HydrophobicContact CG1-CD1 4.02Å; V76-I80 VanDerWaalsContact O-CG1 3.29Å; V76-I80 WeakPolarHBondContact O-CG1 3.47Å; V76-I80 PolarHBondContact O-N 2.9Å; V76-I80 VanDerWaalsContact O-N 3.08Å; L77-I80 WeakPolarHBondContact O-CB 3.36Å; L77-I80 PolarHBondContact O-N 3.47Å; L77-I80 VanDerWaalsContact O-N 3.11Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.28Å; I80-G83 WeakPolarHBondContact O-CA 3.46Å; I80-G83 PolarHBondContact O-N 3.2Å; I80-V86 HydrophobicContact CD1-CG2 4.16Å; I80-V86 HydrophobicContact CG1-CG2 3.64Å |
| 81 | D | 92.3 | Very high | 89.6 | Confident | 102 Ų | 102 | 77 Ų | 77 | 55% | 0.545 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.7 | -33 | 177.3 | -70.7 | -26 | 0 | 0 | 0 | 112.1 | N61 L77 G78 L79 G83 | N61-D81 PolarHBondContact ND2-OD2 3.45Å; L77-D81 VanDerWaalsContact O-CG 3.29Å; L77-D81 PolarHBondContact O-N 3.49Å; G78-D81 PolarHBondContact O-N 2.91Å; L79-D81 VanDerWaalsContact C-N 3.34Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact O-N 2.9Å |
| 82 | L | 91 | Very high | 88.4 | Confident | 64 Ų | 64 | 77.8 Ų | 77.8 | 34% | 0.335 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -4.7 | 172.3 | -68.2 | 173.2 | 0 | 0 | 0 | 113.6 | F50 L54 G78 L79 I80 F84 | F50-L82 HydrophobicContact CD2-CD1 4.3Å; F50-L82 HydrophobicContact CE2-CD1 3.8Å; L54-L82 HydrophobicContact CB-CD1 3.95Å; L54-L82 HydrophobicContact CD1-CD1 3.93Å; G78-L82 WeakPolarHBondContact O-CG 3.38Å; G78-L82 PolarHBondContact O-N 3.36Å; G78-L82 VanDerWaalsContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.34Å; I80-L82 VanDerWaalsContact C-N 3.27Å; I80-L82 PolarHBondContact O-N 3.28Å; L82-F84 HydrophobicContact CB-CD2 3.95Å; L82-F84 HydrophobicContact CB-CE2 4.24Å |
| 83 | G | 90.5 | Very high | 87.1 | Confident | 66 Ų | 66 | 75.9 Ų | 75.9 | 68% | 0.68 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | 20.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L79 I80 D81 | L79-G83 PolarHBondContact O-N 2.94Å; I80-G83 WeakPolarHBondContact O-CA 3.46Å; I80-G83 PolarHBondContact O-N 3.2Å; D81-G83 VanDerWaalsContact C-N 3.26Å; D81-G83 PolarHBondContact O-N 2.9Å |
| 84 | F | 88.8 | Confident | 85.7 | Confident | 111 Ų | 111 | 85.1 Ų | 85.1 | 49% | 0.487 | 46% | 0.459 | S | S | . | . | trans | -84.3 | 135.2 | 174.7 | -76.8 | -95.3 | 0 | 0 | 0 | 111.7 | F50 L79 L82 V86 | F50-F84 HydrophobicContact CD2-CE2 4.32Å; F50-F84 HydrophobicContact CE2-CD2 4.26Å; F50-F84 AromaticContact CE2-CE2 3.38Å; F50-F84 HydrophobicContact CE2-CE2 3.38Å; F50-F84 AromaticContact CE2-CZ 3.7Å; F50-F84 HydrophobicContact CE2-CZ 3.7Å; F50-F84 AromaticContact CZ-CE2 3.91Å; F50-F84 HydrophobicContact CZ-CE2 3.91Å; F50-F84 AromaticContact CZ-CZ 3.96Å; F50-F84 HydrophobicContact CZ-CZ 3.96Å; L79-F84 HydrophobicContact CB-CB 4.26Å; L79-F84 HydrophobicContact CD2-CB 4.47Å; L79-F84 HydrophobicContact CD2-CD2 4.36Å; L79-F84 HydrophobicContact CD2-CG 4.38Å; L79-F84 WeakPolarHBondContact O-CB 3.39Å; L79-F84 PolarHBondContact O-N 2.71Å; L82-F84 HydrophobicContact CB-CD2 3.95Å; L82-F84 HydrophobicContact CB-CE2 4.24Å; F84-V86 PolarHBondContact O-N 3.35Å | ||
| 85 | D | 89.2 | Confident | 84.1 | Confident | 117 Ų | 117 | 90 Ų | 90 | 63% | 0.626 | 48% | 0.48 | S | S | * | . | trans | -78.8 | 107.6 | 169.3 | -177.9 | 15.6 | 0 | 0 | 0 | 110.3 | S87 | D85-S87 PolarHBondContact O-N 3.47Å; D85-S87 VanDerWaalsContact OD1-CB 3.24Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 2.88Å; D85-S87 PolarHBondContact OD1-OG 3.36Å | ||
| 86 | V | 86.7 | Confident | 82.3 | Confident | 39 Ų | 39 | 97 Ų | 97 | 24% | 0.236 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -68.8 | -23.4 | -179.1 | -173 | 0 | 0 | 0 | 0 | 111.4 | V76 L79 I80 F84 L89 | V76-V86 HydrophobicContact CG1-CG1 4.17Å; V76-V86 HydrophobicContact CG1-CG2 4.22Å; L79-V86 HydrophobicContact CB-CG2 4.4Å; I80-V86 HydrophobicContact CD1-CG2 4.16Å; I80-V86 HydrophobicContact CG1-CG2 3.64Å; F84-V86 PolarHBondContact O-N 3.35Å; V86-L89 VanDerWaalsContact O-CB 3.3Å; V86-L89 WeakPolarHBondContact O-CB 3.44Å; V86-L89 PolarHBondContact O-N 3.08Å |
| 87 | S | 85.7 | Confident | 80.5 | Confident | 82 Ų | 82 | 101.9 Ų | 101.9 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -65.2 | -43.1 | -179.2 | -40.5 | 0 | 0 | 0 | 0 | 111.2 | D85 L89 N90 | D85-S87 PolarHBondContact O-N 3.47Å; D85-S87 VanDerWaalsContact OD1-CB 3.24Å; D85-S87 WeakPolarHBondContact OD1-CB 3.43Å; D85-S87 PolarHBondContact OD1-N 2.88Å; D85-S87 PolarHBondContact OD1-OG 3.36Å; S87-L89 PolarHBondContact O-N 2.85Å; S87-N90 PolarHBondContact O-N 3.11Å |
| 88 | G | 82.1 | Confident | 78.8 | Confident | 30 Ų | 30 | 101.9 Ų | 101.9 | 31% | 0.309 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -67.2 | -16.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | N90 E91 | G88-N90 PolarHBondContact O-N 3.16Å; G88-E91 PolarHBondContact O-N 3.05Å; G88-E91 VanDerWaalsContact O-N 3.15Å |
| 89 | L | 80.5 | Confident | 77 | Confident | 101 Ų | 101 | 112.7 Ų | 112.7 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -64 | -30.9 | 178.6 | -164.8 | 75.2 | 0 | 0 | 0 | 112 | V86 S87 E91 I92 | V86-L89 VanDerWaalsContact O-CB 3.3Å; V86-L89 WeakPolarHBondContact O-CB 3.44Å; V86-L89 PolarHBondContact O-N 3.08Å; S87-L89 PolarHBondContact O-N 2.85Å; L89-E91 VanDerWaalsContact C-N 3.3Å; L89-E91 PolarHBondContact O-N 3.05Å; L89-I92 HydrophobicContact CD1-CD1 3.66Å; L89-I92 HydrophobicContact CG-CD1 4.44Å |
| 90 | N | 77.9 | Confident | 75.2 | Confident | 149 Ų | 149 | 113.6 Ų | 113.6 | 80% | 0.797 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -71.9 | -24.5 | 177.8 | -71.3 | -37.5 | 0 | 0 | 0 | 113.1 | S87 G88 | S87-N90 PolarHBondContact O-N 3.11Å; G88-N90 PolarHBondContact O-N 3.16Å |
| 91 | E | 76.3 | Confident | 73.3 | Confident | 163 Ų | 163 | 112.6 Ų | 112.6 | 76% | 0.762 | 58% | 0.576 | S | S | * | * | G | 310 helix | trans | -87.5 | -10.8 | -177.2 | -61.3 | -174.8 | 175.6 | 0 | 0 | 112.8 | G88 L89 P93 | G88-E91 PolarHBondContact O-N 3.05Å; G88-E91 VanDerWaalsContact O-N 3.15Å; L89-E91 VanDerWaalsContact C-N 3.3Å; L89-E91 PolarHBondContact O-N 3.05Å; E91-P93 WeakPolarHBondContact O-CD 3.25Å |
| 92 | I | 70.8 | Confident | 71.6 | Confident | 100 Ų | 100 | 117 Ų | 117 | 51% | 0.513 | 59% | 0.59 | S | S | . | * | S | Bend | trans | -59.5 | 114.2 | -178.9 | -61.1 | 179.1 | 0 | 0 | 0 | 108 | L89 R94 | L89-I92 HydrophobicContact CD1-CD1 3.66Å; L89-I92 HydrophobicContact CG-CD1 4.44Å; I92-R94 PolarHBondContact O-N 2.92Å |
| 93 | P | 66 | Low | 70 | Confident | 93 Ų | 93 | 121.5 Ų | 121.5 | 60% | 0.604 | 61% | 0.609 | S | S | * | * | trans | -58.6 | 133 | 179.3 | 21.9 | -30.2 | 0 | 0 | 0 | 107 | E91 K95 | E91-P93 WeakPolarHBondContact O-CD 3.25Å; P93-K95 PolarHBondContact O-N 3.46Å | ||
| 94 | R | 63 | Low | 68.3 | Low | 253 Ų | 253 | 122.3 Ų | 122.3 | 96% | 0.955 | 60% | 0.602 | S | S | * | * | trans | -61.3 | 84.5 | 175.4 | -63.1 | -174.6 | -134.7 | -178.8 | 4.2 | 108.1 | I92 R96 | I92-R94 PolarHBondContact O-N 2.92Å; R94-R96 PolarHBondContact O-N 3.49Å | ||
| 95 | K | 62.5 | Low | 66.6 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 47% | 0.474 | 62% | 0.618 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 133.4 | 178.2 | -75.5 | -174.6 | 174.8 | -176.5 | 0 | 106.4 | S29 P93 M97 | S29-K95 PolarHBondContact OG-NZ 3Å; P93-K95 PolarHBondContact O-N 3.46Å; K95-M97 PolarHBondContact O-N 3.42Å; K95-M97 VanDerWaalsContact O-N 3.14Å |
| 96 | R | 57.5 | Low | 64.8 | Low | 208 Ų | 208 | 120.8 Ų | 120.8 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -47 | 123.5 | -176.3 | -160.8 | 176 | -172.9 | -172.7 | 1.3 | 108.4 | Y25 R94 Y98 | Y25-R96 PolarHBondContact OH-O 3.41Å; R94-R96 PolarHBondContact O-N 3.49Å; R96-Y98 PolarHBondContact O-N 2.83Å |
| 97 | M | 57.3 | Low | 63.2 | Low | 150 Ų | 150 | 123.7 Ų | 123.7 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 128.6 | 178.8 | -169 | 160.7 | 75 | 0 | 0 | 109.1 | K95 R99 | K95-M97 PolarHBondContact O-N 3.42Å; K95-M97 VanDerWaalsContact O-N 3.14Å; M97-R99 PolarHBondContact O-N 3.34Å |
| 98 | Y | 57.8 | Low | 61.6 | Low | 85 Ų | 85 | 123 Ų | 123 | 33% | 0.333 | 63% | 0.628 | S | S | . | * | trans | -57.6 | 102.6 | 179.2 | -177.3 | -122.1 | 0 | 0 | 0 | 108.7 | Y25 R96 G100 C101 | Y25-Y98 AromaticContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CD2 3.86Å; Y25-Y98 HydrophobicContact CD1-CG 4.19Å; Y25-Y98 AromaticContact CD2-CD2 3.14Å; Y25-Y98 HydrophobicContact CD2-CD2 3.14Å; Y25-Y98 AromaticContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CE2 3.47Å; Y25-Y98 VanDerWaalsContact CD2-CE2 3.47Å; Y25-Y98 HydrophobicContact CD2-CG 4.22Å; Y25-Y98 HydrophobicContact CE1-CD2 4.3Å; Y25-Y98 AromaticContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CD2 3.65Å; Y25-Y98 HydrophobicContact CE2-CE2 4.28Å; Y25-Y98 AromaticContact CG-CD2 3.24Å; Y25-Y98 HydrophobicContact CG-CD2 3.24Å; Y25-Y98 AromaticContact CG-CE2 3.69Å; Y25-Y98 HydrophobicContact CG-CE2 3.69Å; Y25-Y98 AromaticContact CG-CG 3.95Å; Y25-Y98 HydrophobicContact CG-CG 3.95Å; R96-Y98 PolarHBondContact O-N 2.83Å; Y98-G100 PolarHBondContact O-N 3.19Å; Y98-C101 HydrophobicContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CE1-CA 3.43Å; Y98-C101 HydrophobicContact CE1-CB 3.72Å; Y98-C101 PolarHBondContact O-SG 2.93Å; Y98-C101 VanDerWaalsContact O-SG 3.4Å | ||
| 99 | R | 54.3 | Low | 59.7 | Low | 227 Ų | 227 | 125.9 Ų | 125.9 | 86% | 0.857 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -4.6 | -179.9 | -76.1 | -88.7 | -171.3 | -163.9 | 0.4 | 112.4 | M97 | M97-R99 PolarHBondContact O-N 3.34Š|
| 100 | G | 56.5 | Low | 58.1 | Low | 48 Ų | 48 | 124.3 Ų | 124.3 | 50% | 0.495 | 64% | 0.641 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.9 | 0.7 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | Y98 K102 | Y98-G100 PolarHBondContact O-N 3.19Å; G100-K102 PolarHBondContact O-N 3.23Å; G100-K102 VanDerWaalsContact O-N 3.14Å |
| 101 | C | 52.9 | Low | 56.7 | Low | 67 Ų | 67 | 122.5 Ų | 122.5 | 45% | 0.453 | 64% | 0.637 | S | S | . | * | trans | -69.6 | 117.5 | 173.6 | 44.3 | 0 | 0 | 0 | 0 | 107.5 | Y98 E103 | Y98-C101 HydrophobicContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CD1-CB 3.49Å; Y98-C101 VanDerWaalsContact CE1-CA 3.43Å; Y98-C101 HydrophobicContact CE1-CB 3.72Å; Y98-C101 PolarHBondContact O-SG 2.93Å; Y98-C101 VanDerWaalsContact O-SG 3.4Å; C101-E103 VanDerWaalsContact C-N 3.34Å; C101-E103 PolarHBondContact O-N 3.26Å | ||
| 102 | K | 56.8 | Low | 55.1 | Low | 194 Ų | 194 | 124.6 Ų | 124.6 | 84% | 0.843 | 64% | 0.644 | S | S | * | * | trans | -58.1 | 110.1 | 153 | -72.3 | 179.9 | 178.1 | 176.9 | 0 | 104.9 | G100 | G100-K102 PolarHBondContact O-N 3.23Å; G100-K102 VanDerWaalsContact O-N 3.14Å | ||
| 103 | E | 56.7 | Low | 53.6 | Low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | trans | -48.8 | 135.9 | 172.3 | -67.8 | 173.8 | 177.4 | 0 | 0 | 107.5 | C101 T105 | C101-E103 VanDerWaalsContact C-N 3.34Å; C101-E103 PolarHBondContact O-N 3.26Å; E103-T105 PolarHBondContact O-N 2.91Å | ||
| 104 | P | 54.5 | Low | 52.4 | Low | 82 Ų | 82 | 127.5 Ų | 127.5 | 53% | 0.532 | 66% | 0.657 | S | S | . | * | trans | -53.6 | 114.3 | 175.6 | 20.9 | -29.8 | 0 | 0 | 0 | 106.8 | V18 S106 | V18-P104 HydrophobicContact CG2-CB 4.02Å; V18-P104 HydrophobicContact CG2-CG 4.31Å; P104-S106 PolarHBondContact O-N 3.5Å | ||
| 105 | T | 53.9 | Low | 51.5 | Low | 134 Ų | 134 | 121.8 Ų | 121.8 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | trans | -63.9 | 114.4 | -178.5 | -9 | 0 | 0 | 0 | 0 | 105 | E103 I107 | E103-T105 PolarHBondContact O-N 2.91Å; T105-I107 PolarHBondContact O-N 2.74Å | ||
| 106 | S | 52 | Low | 50.6 | Low | 63 Ų | 63 | 122 Ų | 122 | 44% | 0.441 | 66% | 0.661 | S | S | . | * | trans | -51.9 | 119.4 | -179.4 | 58.4 | 0 | 0 | 0 | 0 | 108.4 | P104 G108 S109 | P104-S106 PolarHBondContact O-N 3.5Å; S106-G108 VanDerWaalsContact C-N 3.25Å; S106-G108 PolarHBondContact O-N 2.94Å; S106-S109 WeakPolarHBondContact OG-CB 3.38Å; S106-S109 PolarHBondContact OG-N 3.26Å; S106-S109 PolarHBondContact OG-OG 2.96Å | ||
| 107 | I | 52.4 | Low | 50.3 | Low | 100 Ų | 100 | 115 Ų | 115 | 51% | 0.513 | 64% | 0.643 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | 96.3 | 165.4 | -71.1 | 164.2 | 0 | 0 | 0 | 105.5 | T105 V120 | T105-I107 PolarHBondContact O-N 2.74Å; I107-V120 HydrophobicContact CG2-CG2 4.31Å |
| 108 | G | 51.3 | Low | 50.3 | Low | 66 Ų | 66 | 110.7 Ų | 110.7 | 68% | 0.68 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 115.2 | 3.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | S106 S110 | S106-G108 VanDerWaalsContact C-N 3.25Å; S106-G108 PolarHBondContact O-N 2.94Å; G108-S110 PolarHBondContact O-N 3.3Å |
| 109 | S | 42.6 | Very low | 50.2 | Low | 92 Ų | 92 | 109.1 Ų | 109.1 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | trans | -88.4 | 102.6 | 166.1 | 89.4 | 0 | 0 | 0 | 0 | 111.2 | S106 | S106-S109 WeakPolarHBondContact OG-CB 3.38Å; S106-S109 PolarHBondContact OG-N 3.26Å; S106-S109 PolarHBondContact OG-OG 2.96Å | ||
| 110 | S | 47.6 | Very low | 50.6 | Low | 67 Ų | 67 | 100.6 Ų | 100.6 | 47% | 0.469 | 61% | 0.609 | S | S | . | * | trans | -102.1 | 161.7 | 142.1 | 77.2 | 0 | 0 | 0 | 0 | 106 | G108 | G108-S110 PolarHBondContact O-N 3.3Š| ||
| 111 | P | 47.3 | Very low | 51.1 | Low | 111 Ų | 111 | 104 Ų | 104 | 72% | 0.721 | 62% | 0.615 | S | S | * | * | -155.9 | 134.1 | 77.8 | 35.3 | -13.3 | 0 | 0 | 0 | 115.8 | |||||
| 112 | K | 44 | Very low | 51.8 | Low | 208 Ų | 208 | 101 Ų | 101 | 90% | 0.904 | 60% | 0.596 | S | S | * | * | S | Bend | trans | -125.3 | 89.5 | 132.2 | -72.5 | -173.6 | -178.6 | 177.5 | 0 | 106.6 | ||
| 113 | K | 38.8 | Very low | 52 | Low | 203 Ų | 203 | 97.2 Ų | 97.2 | 88% | 0.883 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 69.6 | 125.6 | -179.7 | -64.4 | 171.5 | 172.7 | 175.8 | 0 | 115.7 | ||
| 114 | G | 41.4 | Very low | 52.6 | Low | 50 Ų | 50 | 92.7 Ų | 92.7 | 52% | 0.515 | 59% | 0.588 | S | S | . | * | trans | 99 | 112.7 | 159.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | V116 | G114-V116 PolarHBondContact O-N 3.14Š| ||
| 115 | V | 43.1 | Very low | 53.4 | Low | 134 Ų | 134 | 91 Ų | 91 | 81% | 0.812 | 59% | 0.585 | S | S | * | * | trans | -54.1 | 106.7 | 167 | 178.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 116 | V | 43.7 | Very low | 53.9 | Low | 114 Ų | 114 | 89.3 Ų | 89.3 | 69% | 0.691 | 58% | 0.575 | S | S | * | * | trans | -106.1 | 89.6 | 169.5 | -172.7 | 0 | 0 | 0 | 0 | 108.3 | G114 A118 | G114-V116 PolarHBondContact O-N 3.14Å; V116-A118 HydrophobicContact CG1-CB 4.21Å; V116-A118 PolarHBondContact O-N 3.36Å; V116-A118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | C | 51.9 | Low | 54.5 | Low | 61 Ų | 61 | 90.6 Ų | 90.6 | 41% | 0.412 | 58% | 0.58 | S | S | . | * | trans | -76.5 | 73 | 162.5 | -67.8 | 0 | 0 | 0 | 0 | 108.5 | A119 I129 | C117-A119 PolarHBondContact O-N 3.43Å; C117-I129 HydrophobicContact CB-CG2 3.96Å | ||
| 118 | A | 56 | Low | 55 | Low | 59 Ų | 59 | 90.2 Ų | 90.2 | 49% | 0.488 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -72.3 | 122.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 108 | V116 V120 | V116-A118 HydrophobicContact CG1-CB 4.21Å; V116-A118 PolarHBondContact O-N 3.36Å; V116-A118 VanDerWaalsContact O-N 3.11Å; A118-V120 PolarHBondContact O-N 2.92Å |
| 119 | A | 56.5 | Low | 55.8 | Low | 52 Ų | 52 | 91.7 Ų | 91.7 | 43% | 0.43 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 125.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | C117 T127 I128 I129 | C117-A119 PolarHBondContact O-N 3.43Å; A119-T127 HydrophobicContact CB-CG2 3.59Å; A119-I128 CarbonylContact C-O 3.2Å; A119-I128 WeakPolarHBondContact CA-O 3.36Å; A119-I129 HydrophobicContact CB-CG1 4.17Å |
| 120 | V | 62.8 | Low | 56.4 | Low | 48 Ų | 48 | 89.4 Ų | 89.4 | 29% | 0.291 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.3 | 175.1 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | I107 A118 G122 I128 | I107-V120 HydrophobicContact CG2-CG2 4.31Å; A118-V120 PolarHBondContact O-N 2.92Å; V120-G122 PolarHBondContact O-N 2.94Å; V120-G122 VanDerWaalsContact O-N 3.16Å; V120-I128 PolarHBondContact N-O 3.29Å; V120-I128 PolarHBondContact O-N 3.49Å |
| 121 | L | 67.1 | Low | 56.7 | Low | 118 Ų | 118 | 96.1 Ų | 96.1 | 62% | 0.618 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -70.1 | 111.8 | 174.2 | -134.6 | 83.8 | 0 | 0 | 0 | 108.7 | T127 | L121-T127 HydrophobicContact CD1-CG2 4.06Å |
| 122 | G | 68.2 | Low | 57.1 | Low | 6 Ų | 6 | 96.2 Ų | 96.2 | 6% | 0.062 | 57% | 0.568 | C | S | . | * | trans | -69.2 | 166.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V120 G124 G125 T126 | V120-G122 PolarHBondContact O-N 2.94Å; V120-G122 VanDerWaalsContact O-N 3.16Å; G122-G124 PolarHBondContact O-N 3.49Å; G122-G125 PolarHBondContact O-N 3.19Å; G122-T126 WeakPolarHBondContact CA-O 3.35Å; G122-T126 PolarHBondContact N-O 2.94Å | ||
| 123 | P | 60.8 | Low | 57.4 | Low | 113 Ų | 113 | 94.9 Ų | 94.9 | 73% | 0.734 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | 14.6 | -171.6 | 25.6 | -34.6 | 0 | 0 | 0 | 116.8 | G9 | G9-P123 WeakPolarHBondContact O-CB 3.29Å; G9-P123 VanDerWaalsContact O-CG 3.22Å; G9-P123 WeakPolarHBondContact O-CG 3.3Å |
| 124 | G | 69.5 | Low | 57.7 | Low | 66 Ų | 66 | 90 Ų | 90 | 68% | 0.68 | 56% | 0.561 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | 18 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G122 T126 | G122-G124 PolarHBondContact O-N 3.49Å; G124-T126 PolarHBondContact O-N 3.45Å |
| 125 | G | 69.7 | Low | 57.8 | Low | 47 Ų | 47 | 95.4 Ų | 95.4 | 49% | 0.485 | 58% | 0.577 | S | S | . | * | S | Bend | trans | 78.2 | -3.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | G122 T127 | G122-G125 PolarHBondContact O-N 3.19Å; G125-T127 PolarHBondContact O-N 3.2Å |
| 126 | T | 66.2 | Low | 57.7 | Low | 97 Ų | 97 | 100.2 Ų | 100.2 | 60% | 0.595 | 58% | 0.581 | S | S | * | * | trans | -70.4 | 120.9 | 179.6 | -19.1 | 0 | 0 | 0 | 0 | 110.2 | G122 G124 I128 | G122-T126 WeakPolarHBondContact CA-O 3.35Å; G122-T126 PolarHBondContact N-O 2.94Å; G124-T126 PolarHBondContact O-N 3.45Å; T126-I128 PolarHBondContact O-N 3.38Å; T126-I128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | T | 64 | Low | 57.6 | Low | 91 Ų | 91 | 99.6 Ų | 99.6 | 56% | 0.558 | 58% | 0.58 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.7 | 109.8 | 175.7 | 12.8 | 0 | 0 | 0 | 0 | 110.1 | A119 L121 G125 | A119-T127 HydrophobicContact CB-CG2 3.59Å; L121-T127 HydrophobicContact CD1-CG2 4.06Å; G125-T127 PolarHBondContact O-N 3.2Å |
| 128 | I | 63.3 | Low | 56.9 | Low | 92 Ų | 92 | 104.1 Ų | 104.1 | 47% | 0.472 | 60% | 0.6 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.5 | 118.4 | 173.6 | -58.4 | 174.8 | 0 | 0 | 0 | 107.5 | A119 V120 T126 P130 | A119-I128 CarbonylContact C-O 3.2Å; A119-I128 WeakPolarHBondContact CA-O 3.36Å; V120-I128 PolarHBondContact N-O 3.29Å; V120-I128 PolarHBondContact O-N 3.49Å; T126-I128 PolarHBondContact O-N 3.38Å; T126-I128 VanDerWaalsContact O-N 3.15Å; I128-P130 WeakPolarHBondContact O-CD 3.39Å |
| 129 | I | 66.3 | Low | 55.7 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | trans | -92.3 | 104.3 | 170.6 | -58 | 173.6 | 0 | 0 | 0 | 107.1 | C117 A119 R131 | C117-I129 HydrophobicContact CB-CG2 3.96Å; A119-I129 HydrophobicContact CB-CG1 4.17Å; I129-R131 PolarHBondContact O-N 3.1Å | ||
| 130 | P | 57 | Low | 55.1 | Low | 44 Ų | 44 | 116.9 Ų | 116.9 | 29% | 0.286 | 64% | 0.641 | S | S | . | * | trans | -64.3 | 113.6 | 174.9 | 25.8 | -31.7 | 0 | 0 | 0 | 108.5 | I128 | I128-P130 WeakPolarHBondContact O-CD 3.39Š| ||
| 131 | R | 54.1 | Low | 53.9 | Low | 207 Ų | 207 | 118.3 Ų | 118.3 | 78% | 0.781 | 67% | 0.665 | S | S | * | * | trans | -100 | 131.5 | 168.6 | -66.2 | -127.9 | -167.1 | 137.3 | 1.5 | 108.4 | I129 L133 | I129-R131 PolarHBondContact O-N 3.1Å; R131-L133 PolarHBondContact O-N 3.46Å | ||
| 132 | P | 54.8 | Low | 52.6 | Low | 114 Ų | 114 | 120.2 Ų | 120.2 | 74% | 0.74 | 68% | 0.676 | S | S | * | * | trans | -60.9 | 127.4 | 167.7 | 25.3 | -31 | 0 | 0 | 0 | 108.5 | S134 | P132-S134 VanDerWaalsContact C-N 3.3Å; P132-S134 PolarHBondContact O-N 2.93Å | ||
| 133 | L | 51.2 | Low | 51.5 | Low | 180 Ų | 180 | 124 Ų | 124 | 94% | 0.942 | 70% | 0.699 | S | S | * | * | trans | -61.4 | 92.3 | 169.9 | -76.3 | 163.3 | 0 | 0 | 0 | 108.3 | R131 L135 | R131-L133 PolarHBondContact O-N 3.46Å; L133-L135 PolarHBondContact O-N 3.3Å | ||
| 134 | S | 45.1 | Very low | 50.3 | Low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | trans | -89.8 | 99.8 | 167.9 | -171.3 | 0 | 0 | 0 | 0 | 107.9 | P132 R136 | P132-S134 VanDerWaalsContact C-N 3.3Å; P132-S134 PolarHBondContact O-N 2.93Å; S134-R136 PolarHBondContact O-N 3.4Å | ||
| 135 | L | 43 | Very low | 48.7 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 86% | 0.859 | 72% | 0.717 | S | S | * | * | trans | -64.2 | 100.1 | 157.1 | -68.4 | 169.7 | 0 | 0 | 0 | 106.4 | L133 P137 | L133-L135 PolarHBondContact O-N 3.3Å; L135-P137 VanDerWaalsContact O-CD 3.23Å; L135-P137 WeakPolarHBondContact O-CD 3.33Å | ||
| 136 | R | 41 | Very low | 47.1 | Very low | 235 Ų | 235 | 137.8 Ų | 137.8 | 89% | 0.887 | 73% | 0.732 | S | S | * | * | trans | -66.5 | 121.8 | 171.2 | -90.3 | -172.6 | 174 | -132.7 | 1.5 | 108.9 | S134 | S134-R136 PolarHBondContact O-N 3.4Š| ||
| 137 | P | 40.8 | Very low | 45.6 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | trans | -85.2 | 141.8 | 159.8 | 8.7 | 12 | 0 | 0 | 0 | 109 | L135 | L135-P137 VanDerWaalsContact O-CD 3.23Å; L135-P137 WeakPolarHBondContact O-CD 3.33Å | ||
| 138 | N | 36.7 | Very low | 44.4 | Very low | 156 Ų | 156 | 141.5 Ų | 141.5 | 83% | 0.834 | 76% | 0.757 | S | S | * | * | trans | 78.5 | 96.1 | 154 | -51.3 | -10.9 | 0 | 0 | 0 | 117.3 | ||||
| 139 | W | 32.5 | Very low | 43 | Very low | 270 Ų | 270 | 140.4 Ų | 140.4 | 100% | 1.023 | 77% | 0.768 | S | S | * | * | trans | -93.2 | 114.6 | 154.5 | -154.8 | 38 | 0 | 0 | 0 | 107.2 | ||||
| 140 | S | 43.3 | Very low | 41.8 | Very low | 109 Ų | 109 | 141.2 Ų | 141.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -132.3 | 118.6 | 173.3 | 60.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 141 | G | 38.3 | Very low | 41 | Very low | 78 Ų | 78 | 145.6 Ų | 145.6 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 71.1 | 91 | 139.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 142 | N | 38.5 | Very low | 40.3 | Very low | 157 Ų | 157 | 140.5 Ų | 140.5 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -23.4 | 176.3 | 137.1 | -136.8 | 25.4 | 0 | 0 | 0 | 116.6 | ||||
| 143 | P | 44.8 | Very low | 39.7 | Very low | 85 Ų | 85 | 143.1 Ų | 143.1 | 55% | 0.552 | 81% | 0.809 | S | S | * | * | -133 | -172.4 | -53.7 | 32.3 | -12.7 | 0 | 0 | 0 | 113.3 | |||||
| 144 | R | 36.4 | Very low | 39.1 | Very low | 224 Ų | 224 | 141.8 Ų | 141.8 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | 83.6 | 111.9 | 157.8 | -59.8 | 170.3 | -179.9 | -157.5 | -0.8 | 117.3 | ||||
| 145 | F | 35.8 | Very low | 38.9 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 94% | 0.943 | 80% | 0.803 | S | S | * | * | 177.9 | 135.6 | 119.3 | -120.1 | -97.1 | 0 | 0 | 0 | 113.1 | |||||
| 146 | G | 35.6 | Very low | 38.6 | Very low | 77 Ų | 77 | 141.6 Ų | 141.6 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 75.6 | 126.1 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 147 | G | 35 | Very low | 38.5 | Very low | 67 Ų | 67 | 133.8 Ų | 133.8 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | cis | 129.3 | 132.9 | 16 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 148 | M | 38.4 | Very low | 38.5 | Very low | 200 Ų | 200 | 136.4 Ų | 136.4 | 99% | 0.985 | 81% | 0.805 | S | S | * | * | trans | 83.5 | 116.9 | 178 | -58.3 | 139.8 | 70.6 | 0 | 0 | 115 | ||||
| 149 | G | 34.1 | Very low | 38.4 | Very low | 69 Ų | 69 | 132.7 Ų | 132.7 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | cis | 115.4 | 110.4 | 10.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 150 | S | 41.5 | Very low | 38.4 | Very low | 113 Ų | 113 | 129.7 Ų | 129.7 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | 173.4 | 129 | 136.6 | -82.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 151 | T | 40 | Very low | 38 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 83% | 0.834 | 80% | 0.804 | S | S | * | * | trans | 65.6 | 135.2 | 141.6 | 61.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 152 | S | 40.1 | Very low | 37.9 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | cis | -167.2 | 130.4 | 13.3 | 53.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 153 | M | 42 | Very low | 37.9 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | 64.4 | 113.3 | 103.6 | -64.4 | -65.2 | -179.4 | 0 | 0 | 114.4 | |||||
| 154 | L | 38.3 | Very low | 37.3 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 81% | 0.813 | S | S | * | * | 155 | 159.3 | 77.9 | -94.7 | 150.9 | 0 | 0 | 0 | 105.7 | |||||
| 155 | N | 40.8 | Very low | 37.3 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | cis | -162.9 | 170.8 | -6.4 | -164.9 | 17.2 | 0 | 0 | 0 | 107.8 | ||||
| 156 | T | 37.3 | Very low | 37.6 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 77% | 0.767 | 81% | 0.805 | S | S | * | * | trans | -82.6 | 167.3 | -168.7 | 51 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 157 | G | 37.9 | Very low | 37.6 | Very low | 70 Ų | 70 | 130.1 Ų | 130.1 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 159.5 | 76.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 158 | V | 40.5 | Very low | 37.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 96% | 0.958 | 81% | 0.81 | S | S | * | * | 68.1 | 117.8 | 101.5 | -177.7 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 159 | G | 35.5 | Very low | 37.9 | Very low | 78 Ų | 78 | 127.9 Ų | 127.9 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | 168.3 | 109.7 | 163.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 160 | Q | 33.1 | Very low | 38.7 | Very low | 206 Ų | 206 | 131.9 Ų | 131.9 | 96% | 0.963 | 81% | 0.805 | S | S | * | * | trans | -72.8 | 151 | -175.8 | -69 | 160.8 | -44.8 | 0 | 0 | 114 | ||||
| 161 | G | 34.4 | Very low | 39.3 | Very low | 80 Ų | 80 | 131.5 Ų | 131.5 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -178.9 | 118.4 | 164.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 162 | I | 35.4 | Very low | 40.1 | Very low | 167 Ų | 167 | 130.6 Ų | 130.6 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -109.7 | 128.2 | -164.6 | -41.3 | 161.1 | 0 | 0 | 0 | 107.6 | ||||
| 163 | S | 38.7 | Very low | 40.9 | Very low | 106 Ų | 106 | 131.6 Ų | 131.6 | 74% | 0.741 | 80% | 0.801 | S | S | * | * | trans | 162.5 | 113.4 | 141.4 | 53 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 164 | D | 32.4 | Very low | 41.6 | Very low | 147 Ų | 147 | 126.6 Ų | 126.6 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | 35 | 111.9 | 134.2 | -58.1 | -25.8 | 0 | 0 | 0 | 119.7 | ||||
| 165 | Q | 37.1 | Very low | 42.4 | Very low | 179 Ų | 179 | 122.7 Ų | 122.7 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | 165.5 | 140.7 | 119.7 | -90 | 177.1 | 63.9 | 0 | 0 | 110.6 | |||||
| 166 | L | 41.9 | Very low | 43.3 | Very low | 152 Ų | 152 | 121.1 Ų | 121.1 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 72.9 | 70.6 | 166.5 | -55.5 | 157.5 | 0 | 0 | 0 | 115.9 | C168 | L166-C168 PolarHBondContact O-N 3.25Š| ||
| 167 | S | 35.8 | Very low | 44.4 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | -69.9 | 84.9 | 157.4 | 58.9 | 0 | 0 | 0 | 0 | 109.3 | S169 | S167-S169 PolarHBondContact O-N 3.03Å; S167-S169 VanDerWaalsContact O-N 3.07Å | ||
| 168 | C | 38.1 | Very low | 45.5 | Very low | 107 Ų | 107 | 123.6 Ų | 123.6 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | trans | -56.6 | 108.3 | 158.6 | -85 | 0 | 0 | 0 | 0 | 107.5 | L166 L170 | L166-C168 PolarHBondContact O-N 3.25Å; C168-L170 PolarHBondContact O-N 2.88Å | ||
| 169 | S | 42 | Very low | 46.8 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | -64.8 | 98.8 | 170.7 | 53 | 0 | 0 | 0 | 0 | 108.3 | S167 | S167-S169 PolarHBondContact O-N 3.03Å; S167-S169 VanDerWaalsContact O-N 3.07Å | ||
| 170 | L | 49.8 | Very low | 48.5 | Very low | 153 Ų | 153 | 126.9 Ų | 126.9 | 80% | 0.801 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -57 | 129.9 | 167.9 | -95.5 | 79.1 | 0 | 0 | 0 | 108.2 | C168 | C168-L170 PolarHBondContact O-N 2.88Š|
| 171 | P | 53.6 | Low | 50.4 | Low | 104 Ų | 104 | 122.7 Ų | 122.7 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.6 | 166.5 | 26.7 | -31.2 | 0 | 0 | 0 | 108.4 | ||
| 172 | P | 56.6 | Low | 52.2 | Low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -55 | 134.7 | 176.9 | 23.3 | -32.3 | 0 | 0 | 0 | 108.9 | A174 | P172-A174 PolarHBondContact O-N 3.26Š|
| 173 | P | 58.3 | Low | 53.5 | Low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -54 | 131.8 | 176.3 | 20.4 | -29.8 | 0 | 0 | 0 | 108.4 | ||
| 174 | A | 56.1 | Low | 55.2 | Low | 62 Ų | 62 | 124.2 Ų | 124.2 | 51% | 0.512 | 72% | 0.723 | S | S | . | * | P | Polyproline II helix | trans | -48.8 | 138.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | P172 A176 | P172-A174 PolarHBondContact O-N 3.26Å; A174-A176 PolarHBondContact O-N 3.4Å; A174-A176 VanDerWaalsContact O-N 3.13Å |
| 175 | P | 55.9 | Low | 56.8 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 47% | 0.468 | 71% | 0.712 | S | S | . | * | P | Polyproline II helix | trans | -46.9 | 126.2 | -179.8 | -27.9 | 32.7 | 0 | 0 | 0 | 110.8 | H177 L178 | P175-H177 WeakPolarHBondContact CB-CE1 3.46Å; P175-H177 WeakPolarHBondContact CB-ND1 3.45Å; P175-H177 PolarHBondContact O-N 3.38Å; P175-L178 PolarHBondContact O-N 3.32Å |
| 176 | A | 58.1 | Low | 58.1 | Low | 101 Ų | 101 | 119.2 Ų | 119.2 | 84% | 0.835 | 70% | 0.704 | S | S | * | * | G | 310 helix | trans | -52.4 | -18 | -168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | A174 L178 | A174-A176 PolarHBondContact O-N 3.4Å; A174-A176 VanDerWaalsContact O-N 3.13Å; A176-L178 VanDerWaalsContact C-N 3.28Å; A176-L178 PolarHBondContact O-N 3.35Å |
| 177 | H | 61.9 | Low | 59.2 | Low | 155 Ų | 155 | 118.7 Ų | 118.7 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -74.4 | -11.8 | 177 | 55.8 | -99.2 | 0 | 0 | 0 | 114.6 | P175 | P175-H177 WeakPolarHBondContact CB-CE1 3.46Å; P175-H177 WeakPolarHBondContact CB-ND1 3.45Å; P175-H177 PolarHBondContact O-N 3.38Å |
| 178 | L | 61 | Low | 60.6 | Low | 91 Ų | 91 | 117.3 Ų | 117.3 | 48% | 0.476 | 68% | 0.683 | S | S | . | * | G | 310 helix | trans | -81.9 | -11.5 | -177.7 | -80.8 | 165.8 | 0 | 0 | 0 | 114.1 | P175 A176 L180 | P175-L178 PolarHBondContact O-N 3.32Å; A176-L178 VanDerWaalsContact C-N 3.28Å; A176-L178 PolarHBondContact O-N 3.35Å; L178-L180 HydrophobicContact CB-CD1 4.09Å; L178-L180 HydrophobicContact CB-CG 4.08Å; L178-L180 WeakPolarHBondContact O-CG 3.3Å; L178-L180 PolarHBondContact O-N 3.11Å |
| 179 | Q | 66.9 | Low | 61.6 | Low | 186 Ų | 186 | 118.1 Ų | 118.1 | 87% | 0.869 | 68% | 0.675 | S | S | * | * | trans | 39.8 | 35.8 | 178.6 | -81.3 | -178.6 | -26.6 | 0 | 0 | 113.3 | ||||
| 180 | L | 70.7 | Confident | 62.5 | Low | 119 Ų | 119 | 120.1 Ų | 120.1 | 62% | 0.623 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 137.7 | 175.9 | -67.3 | 170.2 | 0 | 0 | 0 | 107.3 | L178 | L178-L180 HydrophobicContact CB-CD1 4.09Å; L178-L180 HydrophobicContact CB-CG 4.08Å; L178-L180 WeakPolarHBondContact O-CG 3.3Å; L178-L180 PolarHBondContact O-N 3.11Å |
| 181 | P | 72.8 | Confident | 62.8 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 77% | 0.766 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -55 | 147.3 | 170.9 | 24.8 | -32.7 | 0 | 0 | 0 | 109.1 | L183 | P181-L183 PolarHBondContact O-N 2.83Š|
| 182 | I | 72.1 | Confident | 63.3 | Low | 167 Ų | 167 | 120.4 Ų | 120.4 | 86% | 0.856 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 135.7 | 177.9 | -154.4 | 157.4 | 0 | 0 | 0 | 108.8 | ||
| 183 | L | 63.5 | Low | 63.5 | Low | 152 Ų | 152 | 124.4 Ų | 124.4 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 138.1 | 174.8 | -83.8 | 160 | 0 | 0 | 0 | 108.5 | P181 E185 | P181-L183 PolarHBondContact O-N 2.83Å; L183-E185 PolarHBondContact O-N 2.74Å |
| 184 | P | 74.4 | Confident | 63.6 | Low | 66 Ų | 66 | 124.4 Ų | 124.4 | 43% | 0.429 | 67% | 0.674 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 140.8 | 175.6 | -17.5 | 27.5 | 0 | 0 | 0 | 109.6 | T188 F189 | P184-T188 HydrophobicContact CB-CG2 4.25Å; P184-F189 HydrophobicContact CB-CE2 3.97Å; P184-F189 HydrophobicContact CB-CZ 4.39Å; P184-F189 HydrophobicContact CG-CE2 4.06Å; P184-F189 HydrophobicContact CG-CZ 4.07Å |
| 185 | E | 66.5 | Low | 64.2 | Low | 119 Ų | 119 | 129.9 Ų | 129.9 | 56% | 0.556 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 137.6 | 174.3 | -78.7 | -89.9 | 174.6 | 0 | 0 | 110.5 | L183 H187 T188 | L183-E185 PolarHBondContact O-N 2.74Å; E185-H187 WeakPolarHBondContact CB-CE1 3.45Å; E185-H187 VanDerWaalsContact CB-NE2 3.26Å; E185-H187 WeakPolarHBondContact CB-NE2 3.24Å; E185-H187 VanDerWaalsContact CD-CE1 3.44Å; E185-H187 PolarHBondContact O-N 3.16Å; E185-H187 IonicContact OE2-CE1 3.6Å; E185-H187 PolarHBondContact OE2-CE1 3.15Å; E185-H187 IonicContact OE2-ND1 2.91Å; E185-H187 IonicContact OE2-NE2 3.71Å; E185-T188 WeakPolarHBondContact O-CB 3.21Å; E185-T188 PolarHBondContact O-N 2.79Å; E185-T188 PolarHBondContact O-OG1 3.31Å |
| 186 | P | 63.9 | Low | 64.9 | Low | 103 Ų | 103 | 137.7 Ų | 137.7 | 67% | 0.669 | 71% | 0.707 | S | S | * | * | G | 310 helix | trans | -57.6 | -24.7 | -171.5 | 17.2 | -28.7 | 0 | 0 | 0 | 114 | T188 F189 | P186-T188 PolarHBondContact O-N 2.67Å; P186-F189 PolarHBondContact O-N 3.25Å |
| 187 | H | 64.8 | Low | 65.5 | Low | 141 Ų | 141 | 137 Ų | 137 | 65% | 0.653 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -69.9 | -11.5 | 174.6 | 41.2 | -97.3 | 0 | 0 | 0 | 114.5 | E185 F189 | E185-H187 WeakPolarHBondContact CB-CE1 3.45Å; E185-H187 VanDerWaalsContact CB-NE2 3.26Å; E185-H187 WeakPolarHBondContact CB-NE2 3.24Å; E185-H187 VanDerWaalsContact CD-CE1 3.44Å; E185-H187 PolarHBondContact O-N 3.16Å; E185-H187 IonicContact OE2-CE1 3.6Å; E185-H187 PolarHBondContact OE2-CE1 3.15Å; E185-H187 IonicContact OE2-ND1 2.91Å; E185-H187 IonicContact OE2-NE2 3.71Å; H187-F189 PolarHBondContact O-N 2.72Å |
| 188 | T | 65.7 | Low | 65.7 | Low | 93 Ų | 93 | 134.8 Ų | 134.8 | 57% | 0.571 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -68.4 | -26.8 | 170.5 | -47.8 | 0 | 0 | 0 | 0 | 111.4 | P184 E185 P186 L190 | P184-T188 HydrophobicContact CB-CG2 4.25Å; E185-T188 WeakPolarHBondContact O-CB 3.21Å; E185-T188 PolarHBondContact O-N 2.79Å; E185-T188 PolarHBondContact O-OG1 3.31Å; P186-T188 PolarHBondContact O-N 2.67Å; T188-L190 PolarHBondContact O-N 3Å |
| 189 | F | 59.4 | Low | 66.2 | Low | 124 Ų | 124 | 136.7 Ų | 136.7 | 54% | 0.544 | 71% | 0.71 | S | S | . | * | trans | -100.9 | 78.4 | 179.1 | -59.1 | -78.2 | 0 | 0 | 0 | 110.2 | P184 P186 H187 N191 | P184-F189 HydrophobicContact CB-CE2 3.97Å; P184-F189 HydrophobicContact CB-CZ 4.39Å; P184-F189 HydrophobicContact CG-CE2 4.06Å; P184-F189 HydrophobicContact CG-CZ 4.07Å; P186-F189 PolarHBondContact O-N 3.25Å; H187-F189 PolarHBondContact O-N 2.72Å; F189-N191 PolarHBondContact O-N 2.83Å | ||
| 190 | L | 60.4 | Low | 66.4 | Low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | trans | -68.9 | 82.2 | 162.7 | -87 | 162 | 0 | 0 | 0 | 108.9 | T188 T192 | T188-L190 PolarHBondContact O-N 3Å; L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 3.01Å | ||
| 191 | N | 56 | Low | 66.6 | Low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 68% | 0.683 | S | S | * | * | trans | -69.4 | 88.4 | 170.6 | -82.5 | -18.4 | 0 | 0 | 0 | 109 | F189 R193 | F189-N191 PolarHBondContact O-N 2.83Å; N191-R193 PolarHBondContact O-N 3.11Å; N191-R193 VanDerWaalsContact O-N 3.08Å | ||
| 192 | T | 63.9 | Low | 67.2 | Low | 118 Ų | 118 | 127.2 Ų | 127.2 | 72% | 0.724 | 67% | 0.671 | S | S | * | * | trans | -67 | 104.5 | 164.1 | 39.4 | 0 | 0 | 0 | 0 | 108.2 | L190 V194 | L190-T192 VanDerWaalsContact C-N 3.3Å; L190-T192 PolarHBondContact O-N 3.01Å; T192-V194 VanDerWaalsContact C-N 3.27Å; T192-V194 PolarHBondContact O-N 2.94Å | ||
| 193 | R | 60.4 | Low | 67.7 | Low | 201 Ų | 201 | 123.3 Ų | 123.3 | 76% | 0.758 | 66% | 0.657 | S | S | * | * | trans | -66.1 | 89 | 171.8 | -72.3 | -168.5 | -174.7 | -149.2 | 4.6 | 108.9 | N191 K195 | N191-R193 PolarHBondContact O-N 3.11Å; N191-R193 VanDerWaalsContact O-N 3.08Å; R193-K195 PolarHBondContact O-N 3.24Å; R193-K195 VanDerWaalsContact O-N 3.1Å | ||
| 194 | V | 61.2 | Low | 68.8 | Low | 123 Ų | 123 | 120 Ų | 120 | 75% | 0.745 | 65% | 0.646 | S | S | * | * | trans | -76.6 | 93.1 | 169.5 | -177.3 | 0 | 0 | 0 | 0 | 108 | T192 R196 | T192-V194 VanDerWaalsContact C-N 3.27Å; T192-V194 PolarHBondContact O-N 2.94Å; V194-R196 PolarHBondContact O-N 3.19Å | ||
| 195 | K | 69 | Low | 69.4 | Low | 177 Ų | 177 | 118.8 Ų | 118.8 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | trans | -77.3 | 111.9 | 166.9 | -67.3 | -173.9 | 179.6 | -178.2 | 0 | 107.7 | R193 | R193-K195 PolarHBondContact O-N 3.24Å; R193-K195 VanDerWaalsContact O-N 3.1Å | ||
| 196 | R | 69.2 | Low | 70.2 | Confident | 236 Ų | 236 | 117.2 Ų | 117.2 | 89% | 0.891 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140 | 166.5 | -73 | -172.1 | -174.5 | 119.9 | 0.4 | 108.4 | V194 | V194-R196 PolarHBondContact O-N 3.19Š|
| 197 | A | 72 | Confident | 71.4 | Confident | 86 Ų | 86 | 120.6 Ų | 120.6 | 71% | 0.711 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 137.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I199 | A197-I199 PolarHBondContact O-N 3.07Š|
| 198 | P | 66.1 | Low | 72.6 | Confident | 109 Ų | 109 | 122.7 Ų | 122.7 | 71% | 0.708 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 135.7 | -178.5 | 23.8 | -32.3 | 0 | 0 | 0 | 110.2 | A200 | P198-A200 PolarHBondContact O-N 3.41Š|
| 199 | I | 70.6 | Confident | 73.7 | Confident | 131 Ų | 131 | 124.7 Ų | 124.7 | 67% | 0.672 | 63% | 0.633 | S | S | * | * | S | Bend | trans | -58.5 | -24.3 | -173.1 | -65.9 | 164.5 | 0 | 0 | 0 | 112.2 | A197 R209 | A197-I199 PolarHBondContact O-N 3.07Å; I199-R209 PolarHBondContact O-NH1 3.38Å |
| 200 | A | 71.4 | Confident | 75.1 | Confident | 25 Ų | 25 | 121.7 Ų | 121.7 | 21% | 0.207 | 62% | 0.624 | C | S | . | * | trans | -153.4 | 151.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | P198 S205 | P198-A200 PolarHBondContact O-N 3.41Å; A200-S205 WeakPolarHBondContact CB-OG 3.45Å | ||
| 201 | S | 75.3 | Confident | 76.6 | Confident | 105 Ų | 105 | 119 Ų | 119 | 73% | 0.734 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -70.9 | -37.4 | 179.7 | 65.1 | 0 | 0 | 0 | 0 | 112.5 | ||
| 202 | D | 84.4 | Confident | 78.5 | Confident | 95 Ų | 95 | 116.7 Ų | 116.7 | 51% | 0.508 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -108.3 | 130.9 | -166.9 | -61.9 | -1.4 | 0 | 0 | 0 | 110.7 | S204 S205 L206 | D202-S204 PolarHBondContact O-N 2.72Å; D202-S204 VanDerWaalsContact O-N 3.14Å; D202-S205 WeakPolarHBondContact O-CB 3.39Å; D202-S205 PolarHBondContact O-N 2.61Å; D202-S205 PolarHBondContact O-OG 3.03Å; D202-L206 PolarHBondContact O-N 3.19Å |
| 203 | P | 84.4 | Confident | 79.9 | Confident | 85 Ų | 85 | 117.2 Ų | 117.2 | 55% | 0.552 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60 | -30.1 | -178.9 | 24.2 | -34.2 | 0 | 0 | 0 | 112.9 | S205 L206 R207 | P203-S205 VanDerWaalsContact C-N 3.32Å; P203-S205 PolarHBondContact O-N 2.98Å; P203-L206 PolarHBondContact O-N 3.24Å; P203-R207 WeakPolarHBondContact O-CG 3.22Å; P203-R207 PolarHBondContact O-N 3.29Å; P203-R207 VanDerWaalsContact O-N 3.08Å |
| 204 | S | 86.1 | Confident | 81.5 | Confident | 83 Ų | 83 | 115.2 Ų | 115.2 | 58% | 0.58 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.4 | -38.2 | 175.3 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | D202 R208 | D202-S204 PolarHBondContact O-N 2.72Å; D202-S204 VanDerWaalsContact O-N 3.14Å; S204-R208 PolarHBondContact O-N 2.87Å |
| 205 | S | 86.2 | Confident | 83.1 | Confident | 40 Ų | 40 | 116.8 Ų | 116.8 | 28% | 0.28 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -72.1 | -35.4 | 178.7 | 71.9 | 0 | 0 | 0 | 0 | 112.1 | A200 D202 P203 R208 R209 | A200-S205 WeakPolarHBondContact CB-OG 3.45Å; D202-S205 WeakPolarHBondContact O-CB 3.39Å; D202-S205 PolarHBondContact O-N 2.61Å; D202-S205 PolarHBondContact O-OG 3.03Å; P203-S205 VanDerWaalsContact C-N 3.32Å; P203-S205 PolarHBondContact O-N 2.98Å; S205-R208 PolarHBondContact O-N 3.27Å; S205-R209 WeakPolarHBondContact O-CG 3.5Å; S205-R209 PolarHBondContact O-N 2.86Å |
| 206 | L | 84.2 | Confident | 84.4 | Confident | 85 Ų | 85 | 114.9 Ų | 114.9 | 45% | 0.445 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.6 | -47.9 | 173.1 | -177.1 | 65.7 | 0 | 0 | 0 | 111 | D202 P203 R208 R209 V210 | D202-L206 PolarHBondContact O-N 3.19Å; P203-L206 PolarHBondContact O-N 3.24Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 2.85Å; L206-R209 PolarHBondContact O-N 2.9Å; L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.37Å |
| 207 | R | 88.9 | Confident | 85.8 | Confident | 174 Ų | 174 | 107.6 Ų | 107.6 | 66% | 0.657 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -58.8 | -44.6 | 176 | -69.3 | 179.3 | -167.5 | 146.3 | 1.8 | 111.7 | P203 R209 V210 V211 | P203-R207 WeakPolarHBondContact O-CG 3.22Å; P203-R207 PolarHBondContact O-N 3.29Å; P203-R207 VanDerWaalsContact O-N 3.08Å; R207-R209 PolarHBondContact O-N 3.49Å; R207-V210 PolarHBondContact O-N 2.91Å; R207-V211 WeakPolarHBondContact O-CG2 3.38Å; R207-V211 PolarHBondContact O-N 3.07Å |
| 208 | R | 90.5 | Very high | 86.8 | Confident | 186 Ų | 186 | 109.4 Ų | 109.4 | 70% | 0.702 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -58.3 | -47.5 | 176.1 | -174 | 179.3 | -73.1 | 178.3 | -3.2 | 111.3 | S204 S205 L206 V210 V211 E212 | S204-R208 PolarHBondContact O-N 2.87Å; S205-R208 PolarHBondContact O-N 3.27Å; L206-R208 VanDerWaalsContact C-N 3.34Å; L206-R208 PolarHBondContact O-N 2.85Å; R208-V210 PolarHBondContact O-N 2.86Å; R208-V211 PolarHBondContact O-N 3.32Å; R208-E212 WeakPolarHBondContact O-CB 3.03Å; R208-E212 PolarHBondContact O-N 3.03Å |
| 209 | R | 89 | Confident | 88.1 | Confident | 135 Ų | 135 | 107 Ų | 107 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 178.2 | -74.3 | -176.3 | -175.2 | 175.1 | 8 | 113 | I199 S205 L206 R207 E212 Q213 | I199-R209 PolarHBondContact O-NH1 3.38Å; S205-R209 WeakPolarHBondContact O-CG 3.5Å; S205-R209 PolarHBondContact O-N 2.86Å; L206-R209 PolarHBondContact O-N 2.9Å; R207-R209 PolarHBondContact O-N 3.49Å; R209-E212 PolarHBondContact O-N 3.49Å; R209-Q213 WeakPolarHBondContact O-CB 3.02Å; R209-Q213 PolarHBondContact O-N 2.87Å |
| 210 | V | 89 | Confident | 89.2 | Confident | 61 Ų | 61 | 103.8 Ų | 103.8 | 37% | 0.37 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 177.3 | 172.2 | 0 | 0 | 0 | 0 | 110.9 | L206 R207 R208 Q213 R214 | L206-V210 WeakPolarHBondContact O-CG2 3.34Å; L206-V210 PolarHBondContact O-N 3.37Å; R207-V210 PolarHBondContact O-N 2.91Å; R208-V210 PolarHBondContact O-N 2.86Å; V210-Q213 PolarHBondContact O-N 3.22Å; V210-R214 WeakPolarHBondContact O-CG 3.33Å; V210-R214 PolarHBondContact O-N 2.95Å |
| 211 | V | 91.9 | Very high | 90.3 | Very high | 100 Ų | 100 | 106.9 Ų | 106.9 | 61% | 0.606 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.3 | -44 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | R207 R208 Q213 R214 R215 | R207-V211 WeakPolarHBondContact O-CG2 3.38Å; R207-V211 PolarHBondContact O-N 3.07Å; R208-V211 PolarHBondContact O-N 3.32Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; V211-Q213 PolarHBondContact O-N 3.48Å; V211-R214 PolarHBondContact O-N 2.71Å; V211-R215 PolarHBondContact O-N 3.46Å |
| 212 | E | 94 | Very high | 91 | Very high | 95 Ų | 95 | 104.9 Ų | 104.9 | 44% | 0.444 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 176.1 | -154.5 | 82.8 | -141.2 | 0 | 0 | 111.5 | R208 R209 R215 K216 | R208-E212 WeakPolarHBondContact O-CB 3.03Å; R208-E212 PolarHBondContact O-N 3.03Å; R209-E212 PolarHBondContact O-N 3.49Å; E212-R215 PolarHBondContact O-N 3.16Å; E212-K216 WeakPolarHBondContact O-CG 3.26Å; E212-K216 PolarHBondContact O-N 3.36Å |
| 213 | Q | 95 | Very high | 91.3 | Very high | 129 Ų | 129 | 106.6 Ų | 106.6 | 60% | 0.603 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 176.7 | -176.1 | 178.7 | -3.1 | 0 | 0 | 111.1 | R209 V210 V211 R215 K216 V217 | R209-Q213 WeakPolarHBondContact O-CB 3.02Å; R209-Q213 PolarHBondContact O-N 2.87Å; V210-Q213 PolarHBondContact O-N 3.22Å; V211-Q213 VanDerWaalsContact C-N 3.31Å; V211-Q213 PolarHBondContact O-N 3.48Å; Q213-R215 VanDerWaalsContact C-N 3.32Å; Q213-R215 PolarHBondContact O-N 3.15Å; Q213-K216 PolarHBondContact O-N 3.32Å; Q213-V217 VanDerWaalsContact O-CG2 3.31Å; Q213-V217 WeakPolarHBondContact O-CG2 3.5Å; Q213-V217 PolarHBondContact O-N 2.96Å |
| 214 | R | 93.5 | Very high | 91.7 | Very high | 160 Ų | 160 | 108.4 Ų | 108.4 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.3 | -42.8 | 175.5 | -76.2 | -176.8 | 175 | -171.8 | -2.6 | 111.8 | V210 V211 V217 Q218 | V210-R214 WeakPolarHBondContact O-CG 3.33Å; V210-R214 PolarHBondContact O-N 2.95Å; V211-R214 PolarHBondContact O-N 2.71Å; R214-V217 PolarHBondContact O-N 3.3Å; R214-Q218 WeakPolarHBondContact O-CB 3.4Å; R214-Q218 PolarHBondContact O-N 3.28Å |
| 215 | R | 95.2 | Very high | 91.9 | Very high | 155 Ų | 155 | 106.5 Ų | 106.5 | 59% | 0.585 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60 | -48.5 | 175 | -178.2 | -178.9 | 177.5 | 144.6 | 2.8 | 111.7 | V211 E212 Q213 V217 Q218 E219 | V211-R215 PolarHBondContact O-N 3.46Å; E212-R215 PolarHBondContact O-N 3.16Å; Q213-R215 VanDerWaalsContact C-N 3.32Å; Q213-R215 PolarHBondContact O-N 3.15Å; R215-V217 VanDerWaalsContact C-N 3.34Å; R215-V217 PolarHBondContact O-N 3Å; R215-Q218 PolarHBondContact O-N 2.98Å; R215-E219 HydrophobicContact CG-CG 4.44Å; R215-E219 IonicContact CZ-OE1 3.76Å; R215-E219 IonicContact NE-OE1 3.7Å; R215-E219 PolarHBondContact NE-OE1 3.21Å; R215-E219 IonicContact NH2-OE1 2.76Å; R215-E219 WeakPolarHBondContact O-CG 3.06Å; R215-E219 PolarHBondContact O-N 3.25Å |
| 216 | K | 96.7 | Very high | 92 | Very high | 137 Ų | 137 | 105.4 Ų | 105.4 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.3 | -42.6 | 177.8 | -74.7 | 179 | -179 | -176.3 | 0 | 112.3 | E212 Q213 S220 | E212-K216 WeakPolarHBondContact O-CG 3.26Å; E212-K216 PolarHBondContact O-N 3.36Å; Q213-K216 PolarHBondContact O-N 3.32Å; K216-S220 VanDerWaalsContact O-CB 3.31Å; K216-S220 WeakPolarHBondContact O-CB 3.48Å; K216-S220 PolarHBondContact O-N 2.87Å; K216-S220 PolarHBondContact O-OG 3.49Å |
| 217 | V | 96.9 | Very high | 92.2 | Very high | 84 Ų | 84 | 111 Ų | 111 | 51% | 0.509 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.2 | -49.5 | 175.8 | 170.8 | 0 | 0 | 0 | 0 | 110.2 | Q213 R214 R215 E219 S220 L221 | Q213-V217 VanDerWaalsContact O-CG2 3.31Å; Q213-V217 WeakPolarHBondContact O-CG2 3.5Å; Q213-V217 PolarHBondContact O-N 2.96Å; R214-V217 PolarHBondContact O-N 3.3Å; R215-V217 VanDerWaalsContact C-N 3.34Å; R215-V217 PolarHBondContact O-N 3Å; V217-E219 PolarHBondContact O-N 3.39Å; V217-S220 PolarHBondContact O-N 3.1Å; V217-S220 PolarHBondContact O-OG 2.76Å; V217-L221 WeakPolarHBondContact O-CB 3.21Å; V217-L221 PolarHBondContact O-N 3Å |
| 218 | Q | 93.7 | Very high | 92.3 | Very high | 123 Ų | 123 | 107.3 Ų | 107.3 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.1 | -48.6 | 178.1 | 179.9 | -179.2 | -21.1 | 0 | 0 | 112 | R214 R215 S220 L221 I222 | R214-Q218 WeakPolarHBondContact O-CB 3.4Å; R214-Q218 PolarHBondContact O-N 3.28Å; R215-Q218 PolarHBondContact O-N 2.98Å; Q218-S220 VanDerWaalsContact C-N 3.32Å; Q218-S220 PolarHBondContact O-N 3.03Å; Q218-L221 PolarHBondContact O-N 3.49Å; Q218-I222 HydrophobicContact CG-CD1 3.84Å; Q218-I222 VanDerWaalsContact O-CG1 3.29Å; Q218-I222 WeakPolarHBondContact O-CG1 3.41Å; Q218-I222 PolarHBondContact O-N 3.45Å |
| 219 | E | 93.2 | Very high | 92.2 | Very high | 58 Ų | 58 | 102.2 Ų | 102.2 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -40.7 | 177.5 | -72.4 | -179.5 | -166.5 | 0 | 0 | 111.9 | R215 V217 L221 I222 R223 | R215-E219 HydrophobicContact CG-CG 4.44Å; R215-E219 IonicContact CZ-OE1 3.76Å; R215-E219 IonicContact NE-OE1 3.7Å; R215-E219 PolarHBondContact NE-OE1 3.21Å; R215-E219 IonicContact NH2-OE1 2.76Å; R215-E219 WeakPolarHBondContact O-CG 3.06Å; R215-E219 PolarHBondContact O-N 3.25Å; V217-E219 PolarHBondContact O-N 3.39Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-I222 PolarHBondContact O-N 3.24Å; E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 VanDerWaalsContact O-CG 3.29Å; E219-R223 WeakPolarHBondContact O-CG 3.35Å; E219-R223 PolarHBondContact O-N 3.48Å; E219-R223 IonicContact OE2-CZ 3.76Å; E219-R223 IonicContact OE2-NH1 3.8Å; E219-R223 IonicContact OE2-NH2 2.87Å; E219-R223 PolarHBondContact OE2-NH2 2.92Å |
| 220 | S | 94.5 | Very high | 92.1 | Very high | 64 Ų | 64 | 100.6 Ų | 100.6 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 112.1 | K216 V217 Q218 R223 F224 | K216-S220 VanDerWaalsContact O-CB 3.31Å; K216-S220 WeakPolarHBondContact O-CB 3.48Å; K216-S220 PolarHBondContact O-N 2.87Å; K216-S220 PolarHBondContact O-OG 3.49Å; V217-S220 PolarHBondContact O-N 3.1Å; V217-S220 PolarHBondContact O-OG 2.76Å; Q218-S220 VanDerWaalsContact C-N 3.32Å; Q218-S220 PolarHBondContact O-N 3.03Å; S220-R223 PolarHBondContact O-N 2.88Å; S220-F224 WeakPolarHBondContact O-CB 3.29Å; S220-F224 PolarHBondContact O-N 3.39Å |
| 221 | L | 93.6 | Very high | 92.1 | Very high | 91 Ų | 91 | 99.3 Ų | 99.3 | 48% | 0.476 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -44.2 | 178 | 178.9 | 62.5 | 0 | 0 | 0 | 111.2 | V217 Q218 E219 F224 L225 | V217-L221 WeakPolarHBondContact O-CB 3.21Å; V217-L221 PolarHBondContact O-N 3Å; Q218-L221 PolarHBondContact O-N 3.49Å; E219-L221 VanDerWaalsContact C-N 3.34Å; L221-F224 PolarHBondContact O-N 3.14Å; L221-L225 HydrophobicContact CD1-CD1 4.12Å; L221-L225 HydrophobicContact CD1-CG 4.09Å; L221-L225 HydrophobicContact CG-CD1 4.02Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.35Å; L221-L225 WeakPolarHBondContact O-CG 3.36Å; L221-L225 PolarHBondContact O-N 3.25Å |
| 222 | I | 90.4 | Very high | 91.9 | Very high | 63 Ų | 63 | 100.3 Ų | 100.3 | 32% | 0.323 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 176.2 | -68.1 | 166.1 | 0 | 0 | 0 | 110.2 | Q218 E219 F224 L225 G226 | Q218-I222 HydrophobicContact CG-CD1 3.84Å; Q218-I222 VanDerWaalsContact O-CG1 3.29Å; Q218-I222 WeakPolarHBondContact O-CG1 3.41Å; Q218-I222 PolarHBondContact O-N 3.45Å; E219-I222 PolarHBondContact O-N 3.24Å; I222-F224 VanDerWaalsContact C-N 3.26Å; I222-F224 PolarHBondContact O-N 2.63Å; I222-L225 PolarHBondContact O-N 3.38Å; I222-G226 PolarHBondContact O-N 3.4Å |
| 223 | R | 89.6 | Confident | 91.7 | Very high | 131 Ų | 131 | 100.7 Ų | 100.7 | 49% | 0.494 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.5 | -30.7 | 176.4 | -70.3 | -178 | -159.1 | 108.6 | 4.1 | 112.9 | E219 S220 R227 | E219-R223 WeakPolarHBondContact O-CB 3.38Å; E219-R223 VanDerWaalsContact O-CG 3.29Å; E219-R223 WeakPolarHBondContact O-CG 3.35Å; E219-R223 PolarHBondContact O-N 3.48Å; E219-R223 IonicContact OE2-CZ 3.76Å; E219-R223 IonicContact OE2-NH1 3.8Å; E219-R223 IonicContact OE2-NH2 2.87Å; E219-R223 PolarHBondContact OE2-NH2 2.92Å; S220-R223 PolarHBondContact O-N 2.88Å; R223-R227 PolarHBondContact O-NH1 3.06Å |
| 224 | F | 93.2 | Very high | 91.4 | Very high | 122 Ų | 122 | 98.7 Ų | 98.7 | 54% | 0.535 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.4 | -52.6 | 175.6 | 171.7 | -100.6 | 0 | 0 | 0 | 111.3 | S220 L221 I222 G226 R227 V228 | S220-F224 WeakPolarHBondContact O-CB 3.29Å; S220-F224 PolarHBondContact O-N 3.39Å; L221-F224 PolarHBondContact O-N 3.14Å; I222-F224 VanDerWaalsContact C-N 3.26Å; I222-F224 PolarHBondContact O-N 2.63Å; F224-G226 PolarHBondContact O-N 2.98Å; F224-R227 WeakPolarHBondContact O-CB 3.43Å; F224-R227 PolarHBondContact O-N 3.31Å; F224-V228 HydrophobicContact CE1-CG2 4.07Å; F224-V228 HydrophobicContact CE2-CG2 4.04Å; F224-V228 HydrophobicContact CZ-CG2 3.78Å; F224-V228 PolarHBondContact O-N 2.81Å |
| 225 | L | 91.2 | Very high | 91.2 | Very high | 44 Ų | 44 | 96.5 Ų | 96.5 | 23% | 0.23 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -58.1 | -37 | 178.8 | -73.1 | 174.5 | 0 | 0 | 0 | 111.4 | L221 I222 R227 V228 Q229 I245 | L221-L225 HydrophobicContact CD1-CD1 4.12Å; L221-L225 HydrophobicContact CD1-CG 4.09Å; L221-L225 HydrophobicContact CG-CD1 4.02Å; L221-L225 HydrophobicContact CG-CG 4.39Å; L221-L225 WeakPolarHBondContact O-CB 3.35Å; L221-L225 WeakPolarHBondContact O-CG 3.36Å; L221-L225 PolarHBondContact O-N 3.25Å; I222-L225 PolarHBondContact O-N 3.38Å; L225-R227 PolarHBondContact O-N 3.13Å; L225-V228 PolarHBondContact O-N 3.14Å; L225-Q229 PolarHBondContact O-N 3.4Å; L225-I245 HydrophobicContact CB-CD1 3.79Å; L225-I245 HydrophobicContact CD1-CD1 3.89Å |
| 226 | G | 88.8 | Confident | 90.7 | Very high | 16 Ų | 16 | 95.1 Ų | 95.1 | 17% | 0.165 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66.1 | -15 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | I222 F224 V231 | I222-G226 PolarHBondContact O-N 3.4Å; F224-G226 PolarHBondContact O-N 2.98Å; G226-V231 VanDerWaalsContact CA-CG2 3.42Å |
| 227 | R | 88.1 | Confident | 90.1 | Very high | 203 Ų | 203 | 92.9 Ų | 92.9 | 77% | 0.766 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -88.9 | -23.3 | 170.2 | -68.6 | -174.8 | 176.9 | 98.7 | -6.6 | 113.3 | R223 F224 L225 | R223-R227 PolarHBondContact O-NH1 3.06Å; F224-R227 WeakPolarHBondContact O-CB 3.43Å; F224-R227 PolarHBondContact O-N 3.31Å; L225-R227 PolarHBondContact O-N 3.13Å |
| 228 | V | 91.3 | Very high | 89.6 | Confident | 96 Ų | 96 | 92.4 Ų | 92.4 | 58% | 0.582 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -99 | -35 | -172.3 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | F224 L225 | F224-V228 HydrophobicContact CE1-CG2 4.07Å; F224-V228 HydrophobicContact CE2-CG2 4.04Å; F224-V228 HydrophobicContact CZ-CG2 3.78Å; F224-V228 PolarHBondContact O-N 2.81Å; L225-V228 PolarHBondContact O-N 3.14Å |
| 229 | Q | 86.9 | Confident | 88.8 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -109.8 | 156.3 | -174 | -68.2 | -176.2 | -9.6 | 0 | 0 | 111.7 | L225 V231 | L225-Q229 PolarHBondContact O-N 3.4Å; Q229-V231 PolarHBondContact O-N 2.91Å |
| 230 | P | 87.9 | Confident | 88.4 | Confident | 102 Ų | 102 | 96.9 Ų | 96.9 | 66% | 0.662 | 52% | 0.52 | S | S | * | . | trans | -64.8 | 120.6 | 171.5 | 27.1 | -33.8 | 0 | 0 | 0 | 110.8 | T246 | P230-T246 PolarHBondContact O-OG1 2.93Š| ||
| 231 | V | 87.8 | Confident | 88.1 | Confident | 34 Ų | 34 | 94.2 Ų | 94.2 | 21% | 0.206 | 50% | 0.502 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 141 | 179.8 | 176.3 | 0 | 0 | 0 | 0 | 110.1 | G226 Q229 M243 L244 | G226-V231 VanDerWaalsContact CA-CG2 3.42Å; Q229-V231 PolarHBondContact O-N 2.91Å; V231-M243 HydrophobicContact CB-CE 4.33Å; V231-M243 HydrophobicContact CG1-CB 3.63Å; V231-M243 HydrophobicContact CG1-CE 3.9Å; V231-M243 HydrophobicContact CG1-CG 4.01Å; V231-M243 HydrophobicContact CG2-CE 3.9Å; V231-L244 WeakPolarHBondContact CA-O 3.28Å; V231-L244 WeakPolarHBondContact CG1-O 3.44Å |
| 232 | Q | 87.5 | Confident | 87.8 | Confident | 121 Ų | 121 | 97 Ų | 97 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 137 | 167.8 | -62.2 | -179.6 | 16.2 | 0 | 0 | 109 | L244 | Q232-L244 PolarHBondContact N-O 2.98Å; Q232-L244 WeakPolarHBondContact O-CA 3.28Å; Q232-L244 VanDerWaalsContact O-CB 3.25Å; Q232-L244 WeakPolarHBondContact O-CB 3.4Å; Q232-L244 PolarHBondContact O-N 3.41Å |
| 233 | Y | 90.3 | Very high | 87.7 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 40% | 0.404 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 137.5 | 177 | -76.4 | -80.8 | 0 | 0 | 0 | 109.6 | F235 S241 M243 | Y233-F235 PolarHBondContact O-N 3.43Å; Y233-S241 VanDerWaalsContact CB-OG 3.3Å; Y233-S241 WeakPolarHBondContact CB-OG 3.46Å; Y233-S241 VanDerWaalsContact CD1-OG 3.29Å; Y233-S241 WeakPolarHBondContact CD1-OG 3.5Å; Y233-M243 HydrophobicContact CD1-CG 4.17Å; Y233-M243 HydrophobicContact CE1-CG 3.61Å |
| 234 | L | 89.1 | Confident | 87.7 | Confident | 86 Ų | 86 | 95 Ų | 95 | 45% | 0.45 | 51% | 0.508 | S | S | . | . | S | Bend | trans | -56.9 | -36.9 | 178.5 | -175.1 | 70.4 | 0 | 0 | 0 | 111.6 | F242 L244 | L234-F242 HydrophobicContact CB-CB 4.14Å; L234-F242 HydrophobicContact CD2-CB 4.41Å; L234-F242 HydrophobicContact CD2-CD2 3.94Å; L234-F242 PolarHBondContact N-O 3.48Å; L234-L244 HydrophobicContact CD1-CD1 4.14Å |
| 235 | F | 90.1 | Very high | 87.3 | Confident | 115 Ų | 115 | 92.1 Ų | 92.1 | 50% | 0.504 | 50% | 0.498 | S | S | . | . | S | Bend | trans | -114.6 | 105.3 | 173.6 | -58.4 | -63.7 | 0 | 0 | 0 | 109 | Y233 G237 D238 S241 | Y233-F235 PolarHBondContact O-N 3.43Å; F235-G237 PolarHBondContact O-N 2.92Å; F235-D238 HydrophobicContact CB-CB 4.15Å; F235-D238 PolarHBondContact O-N 2.89Å; F235-S241 PolarHBondContact O-OG 2.95Å |
| 236 | P | 84.1 | Confident | 87 | Confident | 125 Ų | 125 | 92.4 Ų | 92.4 | 81% | 0.812 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | 125.3 | 179.1 | -24.2 | 33.1 | 0 | 0 | 0 | 111.2 | ||
| 237 | G | 83 | Confident | 86.7 | Confident | 90 Ų | 90 | 97 Ų | 97 | 93% | 0.928 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.3 | -6.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | F235 | F235-G237 PolarHBondContact O-N 2.92Š|
| 238 | D | 87.3 | Confident | 86.4 | Confident | 74 Ų | 74 | 96.6 Ų | 96.6 | 40% | 0.396 | 53% | 0.533 | S | S | . | . | trans | -101.9 | 114.5 | 174.3 | -177.9 | 11.2 | 0 | 0 | 0 | 110.9 | F235 E240 S241 | F235-D238 HydrophobicContact CB-CB 4.15Å; F235-D238 PolarHBondContact O-N 2.89Å; D238-E240 PolarHBondContact O-N 2.89Å; D238-E240 PolarHBondContact OD1-N 3.19Å; D238-S241 WeakPolarHBondContact O-CB 3.46Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.39Å | ||
| 239 | A | 77.8 | Confident | 86.1 | Confident | 91 Ų | 91 | 101.1 Ų | 101.1 | 75% | 0.752 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -17.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 240 | E | 84.5 | Confident | 85.9 | Confident | 184 Ų | 184 | 100.1 Ų | 100.1 | 86% | 0.86 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -1.6 | 176.3 | -60.7 | -167 | 163.9 | 0 | 0 | 112.7 | D238 | D238-E240 PolarHBondContact O-N 2.89Å; D238-E240 PolarHBondContact OD1-N 3.19Å |
| 241 | S | 86.6 | Confident | 85.9 | Confident | 9 Ų | 9 | 101.6 Ų | 101.6 | 6% | 0.063 | 56% | 0.559 | C | S | . | * | S | Bend | trans | -74.1 | 159.9 | -177 | 71.9 | 0 | 0 | 0 | 0 | 113.2 | Y233 F235 D238 M243 | Y233-S241 VanDerWaalsContact CB-OG 3.3Å; Y233-S241 WeakPolarHBondContact CB-OG 3.46Å; Y233-S241 VanDerWaalsContact CD1-OG 3.29Å; Y233-S241 WeakPolarHBondContact CD1-OG 3.5Å; F235-S241 PolarHBondContact O-OG 2.95Å; D238-S241 WeakPolarHBondContact O-CB 3.46Å; D238-S241 PolarHBondContact O-N 3.28Å; D238-S241 PolarHBondContact O-OG 3.39Å; S241-M243 PolarHBondContact O-N 2.9Å |
| 242 | F | 88 | Confident | 85.8 | Confident | 149 Ų | 149 | 107.2 Ų | 107.2 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 121.2 | -177 | -62.2 | -80.6 | 0 | 0 | 0 | 111.8 | L234 | L234-F242 HydrophobicContact CB-CB 4.14Å; L234-F242 HydrophobicContact CD2-CB 4.41Å; L234-F242 HydrophobicContact CD2-CD2 3.94Å; L234-F242 PolarHBondContact N-O 3.48Å |
| 243 | M | 88.7 | Confident | 85.6 | Confident | 67 Ų | 67 | 105.4 Ų | 105.4 | 33% | 0.33 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.1 | 122.5 | 176.1 | -66.7 | 175.5 | 71 | 0 | 0 | 111.2 | V231 Y233 S241 | V231-M243 HydrophobicContact CB-CE 4.33Å; V231-M243 HydrophobicContact CG1-CB 3.63Å; V231-M243 HydrophobicContact CG1-CE 3.9Å; V231-M243 HydrophobicContact CG1-CG 4.01Å; V231-M243 HydrophobicContact CG2-CE 3.9Å; Y233-M243 HydrophobicContact CD1-CG 4.17Å; Y233-M243 HydrophobicContact CE1-CG 3.61Å; S241-M243 PolarHBondContact O-N 2.9Å |
| 244 | L | 88.6 | Confident | 85.5 | Confident | 84 Ų | 84 | 106.9 Ų | 106.9 | 44% | 0.44 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -105.7 | 120.5 | 174.2 | -54.5 | 176.3 | 0 | 0 | 0 | 109.7 | V231 Q232 L234 T246 | V231-L244 WeakPolarHBondContact CA-O 3.28Å; V231-L244 WeakPolarHBondContact CG1-O 3.44Å; Q232-L244 PolarHBondContact N-O 2.98Å; Q232-L244 WeakPolarHBondContact O-CA 3.28Å; Q232-L244 VanDerWaalsContact O-CB 3.25Å; Q232-L244 WeakPolarHBondContact O-CB 3.4Å; Q232-L244 PolarHBondContact O-N 3.41Å; L234-L244 HydrophobicContact CD1-CD1 4.14Å; L244-T246 PolarHBondContact O-N 3.44Å |
| 245 | I | 86.2 | Confident | 85.2 | Confident | 62 Ų | 62 | 106 Ų | 106 | 32% | 0.318 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80 | 121.3 | 176.5 | -61.8 | 170.3 | 0 | 0 | 0 | 108.2 | L225 | L225-I245 HydrophobicContact CB-CD1 3.79Å; L225-I245 HydrophobicContact CD1-CD1 3.89Å |
| 246 | T | 84 | Confident | 84.8 | Confident | 51 Ų | 51 | 104.1 Ų | 104.1 | 31% | 0.313 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -71.4 | 126.7 | 178.4 | -48.1 | 0 | 0 | 0 | 0 | 109.3 | P230 L244 K248 | P230-T246 PolarHBondContact O-OG1 2.93Å; L244-T246 PolarHBondContact O-N 3.44Å; T246-K248 PolarHBondContact O-N 3.29Å |
| 247 | P | 82.7 | Confident | 84.7 | Confident | 112 Ų | 112 | 101.5 Ų | 101.5 | 73% | 0.727 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 139.2 | 178.7 | 26.7 | -33.7 | 0 | 0 | 0 | 110.4 | E249 | P247-E249 PolarHBondContact O-N 2.86Š|
| 248 | K | 82.5 | Confident | 84.7 | Confident | 195 Ų | 195 | 102.6 Ų | 102.6 | 85% | 0.848 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -70.4 | 127.3 | 172.8 | -173.5 | 177.3 | 178.8 | 179.6 | 0 | 109.2 | T246 S250 | T246-K248 PolarHBondContact O-N 3.29Å; K248-S250 PolarHBondContact O-N 3.27Å |
| 249 | E | 84.1 | Confident | 84.3 | Confident | 191 Ų | 191 | 104.4 Ų | 104.4 | 89% | 0.893 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.2 | 172.9 | -63.4 | -178.8 | -176 | 0 | 0 | 109.6 | P247 | P247-E249 PolarHBondContact O-N 2.86Š|
| 250 | S | 83.7 | Confident | 84 | Confident | 58 Ų | 58 | 102.4 Ų | 102.4 | 41% | 0.406 | 54% | 0.542 | S | S | . | . | trans | -129.9 | 141.9 | 176.3 | 70.5 | 0 | 0 | 0 | 0 | 109.4 | K248 R252 | K248-S250 PolarHBondContact O-N 3.27Å; S250-R252 PolarHBondContact O-N 3.22Å; S250-R252 VanDerWaalsContact O-N 3.16Å | ||
| 251 | P | 87.6 | Confident | 82.9 | Confident | 133 Ų | 133 | 97.2 Ų | 97.2 | 86% | 0.864 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -69.6 | -10.6 | -178.7 | 28.1 | -35.2 | 0 | 0 | 0 | 113.2 | ||
| 252 | R | 85.5 | Confident | 81.4 | Confident | 152 Ų | 152 | 101.3 Ų | 101.3 | 57% | 0.574 | 55% | 0.551 | S | S | * | * | trans | -136.1 | 69.4 | -178.1 | -61 | -174.1 | -178.2 | 168.2 | -0.8 | 111.3 | S250 Y254 L255 | S250-R252 PolarHBondContact O-N 3.22Å; S250-R252 VanDerWaalsContact O-N 3.16Å; R252-Y254 VanDerWaalsContact C-N 3.26Å; R252-Y254 HydrophobicContact CB-CE1 4.06Å; R252-Y254 HydrophobicContact CG-CE1 4.33Å; R252-Y254 PolarHBondContact O-N 3.02Å; R252-L255 HydrophobicContact CB-CB 4.37Å; R252-L255 HydrophobicContact CB-CD1 3.91Å; R252-L255 HydrophobicContact CB-CG 4.08Å; R252-L255 VanDerWaalsContact CD-CD1 3.49Å; R252-L255 HydrophobicContact CG-CD1 4.34Å; R252-L255 PolarHBondContact O-N 3.34Å | ||
| 253 | P | 84.2 | Confident | 79.9 | Confident | 82 Ų | 82 | 98.1 Ų | 98.1 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.1 | -26.8 | -175.4 | 27.3 | -35.3 | 0 | 0 | 0 | 113.4 | L255 S256 A257 | P253-L255 VanDerWaalsContact C-N 3.31Å; P253-L255 PolarHBondContact O-N 2.96Å; P253-S256 PolarHBondContact O-OG 2.8Å; P253-A257 PolarHBondContact O-N 3.15Å |
| 254 | Y | 86.4 | Confident | 78.2 | Confident | 134 Ų | 134 | 100.2 Ų | 100.2 | 53% | 0.525 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -32.2 | 177.2 | 61 | -89.8 | 0 | 0 | 0 | 112.2 | R252 L258 | R252-Y254 VanDerWaalsContact C-N 3.26Å; R252-Y254 HydrophobicContact CB-CE1 4.06Å; R252-Y254 HydrophobicContact CG-CE1 4.33Å; R252-Y254 PolarHBondContact O-N 3.02Å; Y254-L258 HydrophobicContact CD2-CD1 4.46Å; Y254-L258 WeakPolarHBondContact O-CB 3.38Å; Y254-L258 WeakPolarHBondContact O-CG 3.49Å; Y254-L258 PolarHBondContact O-N 3.43Å |
| 255 | L | 83.3 | Confident | 76.4 | Confident | 68 Ų | 68 | 102 Ų | 102 | 36% | 0.356 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.9 | -45.1 | 179.9 | -70.7 | -175.8 | 0 | 0 | 0 | 111.6 | R252 P253 A257 L258 L259 | R252-L255 HydrophobicContact CB-CB 4.37Å; R252-L255 HydrophobicContact CB-CD1 3.91Å; R252-L255 HydrophobicContact CB-CG 4.08Å; R252-L255 VanDerWaalsContact CD-CD1 3.49Å; R252-L255 HydrophobicContact CG-CD1 4.34Å; R252-L255 PolarHBondContact O-N 3.34Å; P253-L255 VanDerWaalsContact C-N 3.31Å; P253-L255 PolarHBondContact O-N 2.96Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.29Å; L255-L258 PolarHBondContact O-N 3.22Å; L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 WeakPolarHBondContact O-CG 3.42Å; L255-L259 PolarHBondContact O-N 3.43Å |
| 256 | S | 81.8 | Confident | 74.5 | Confident | 76 Ų | 76 | 102.8 Ų | 102.8 | 53% | 0.531 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -63.1 | -38.3 | 179.5 | 58.4 | 0 | 0 | 0 | 0 | 112 | P253 A260 | P253-S256 PolarHBondContact O-OG 2.8Å; S256-A260 PolarHBondContact O-N 3.04Å |
| 257 | A | 82.3 | Confident | 72.9 | Confident | 69 Ų | 69 | 106.2 Ų | 106.2 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.3 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | P253 L255 | P253-A257 PolarHBondContact O-N 3.15Å; L255-A257 VanDerWaalsContact C-N 3.3Å; L255-A257 PolarHBondContact O-N 3.29Å |
| 258 | L | 83.6 | Confident | 71.3 | Confident | 114 Ų | 114 | 108.1 Ų | 108.1 | 60% | 0.597 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -70.3 | -40.2 | 177.5 | -71.1 | 171 | 0 | 0 | 0 | 111.8 | Y254 L255 A260 S261 | Y254-L258 HydrophobicContact CD2-CD1 4.46Å; Y254-L258 WeakPolarHBondContact O-CB 3.38Å; Y254-L258 WeakPolarHBondContact O-CG 3.49Å; Y254-L258 PolarHBondContact O-N 3.43Å; L255-L258 PolarHBondContact O-N 3.22Å; L258-A260 VanDerWaalsContact C-N 3.26Å; L258-A260 PolarHBondContact O-N 3.23Å; L258-S261 PolarHBondContact O-N 3.04Å; L258-S261 PolarHBondContact O-OG 3.42Å |
| 259 | L | 79 | Confident | 69.5 | Low | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -66.2 | -26.6 | 177.9 | -71 | 174 | 0 | 0 | 0 | 112.9 | L255 S261 V262 T263 | L255-L259 WeakPolarHBondContact O-CB 3.44Å; L255-L259 WeakPolarHBondContact O-CG 3.42Å; L255-L259 PolarHBondContact O-N 3.43Å; L259-S261 PolarHBondContact O-N 3.41Å; L259-S261 VanDerWaalsContact O-N 3.11Å; L259-V262 PolarHBondContact O-N 2.99Å; L259-T263 PolarHBondContact O-OG1 3.21Å |
| 260 | A | 70.8 | Confident | 67.5 | Low | 49 Ų | 49 | 106.3 Ų | 106.3 | 41% | 0.405 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -60.2 | -20.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | S256 L258 N264 | S256-A260 PolarHBondContact O-N 3.04Å; L258-A260 VanDerWaalsContact C-N 3.26Å; L258-A260 PolarHBondContact O-N 3.23Å; A260-N264 PolarHBondContact O-ND2 3.5Å; A260-N264 VanDerWaalsContact O-ND2 3.1Å |
| 261 | S | 62.1 | Low | 65.3 | Low | 75 Ų | 75 | 107.8 Ų | 107.8 | 52% | 0.524 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73.9 | -32.6 | 174.3 | 66.2 | 0 | 0 | 0 | 0 | 113 | L258 L259 | L258-S261 PolarHBondContact O-N 3.04Å; L258-S261 PolarHBondContact O-OG 3.42Å; L259-S261 PolarHBondContact O-N 3.41Å; L259-S261 VanDerWaalsContact O-N 3.11Å |
| 262 | V | 55.1 | Low | 63.1 | Low | 96 Ų | 96 | 109.9 Ų | 109.9 | 58% | 0.582 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -76 | -32.1 | -173.5 | -176 | 0 | 0 | 0 | 0 | 111.6 | L259 | L259-V262 PolarHBondContact O-N 2.99Å |
| 263 | T | 56.6 | Low | 60.7 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 50% | 0.503 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -79.2 | -22.5 | -178 | 28 | 0 | 0 | 0 | 0 | 114.3 | L259 C266 | L259-T263 PolarHBondContact O-OG1 3.21Å; T263-C266 VanDerWaalsContact C-SG 3.54Å; T263-C266 PolarHBondContact O-SG 3.35Å |
| 264 | N | 52.6 | Low | 58.5 | Low | 110 Ų | 110 | 111 Ų | 111 | 59% | 0.588 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.7 | -22.9 | -178.2 | -70.8 | -29.1 | 0 | 0 | 0 | 113.2 | A260 | A260-N264 PolarHBondContact O-ND2 3.5Å; A260-N264 VanDerWaalsContact O-ND2 3.1Å |
| 265 | D | 50 | Low | 56.1 | Low | 121 Ų | 121 | 111 Ų | 111 | 65% | 0.647 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -78.7 | -23 | -178.7 | -72.4 | -29.4 | 0 | 0 | 0 | 113.1 | ||
| 266 | C | 47.8 | Very low | 54 | Low | 79 Ų | 79 | 118 Ų | 118 | 53% | 0.534 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -76.7 | -27.6 | 178.4 | 23.4 | 0 | 0 | 0 | 0 | 114 | T263 | T263-C266 VanDerWaalsContact C-SG 3.54Å; T263-C266 PolarHBondContact O-SG 3.35Å |
| 267 | D | 48.5 | Very low | 51.8 | Low | 124 Ų | 124 | 120.4 Ų | 120.4 | 66% | 0.663 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -86.6 | -16.7 | -176.5 | -78.8 | -20.1 | 0 | 0 | 0 | 114.1 | K269 | D267-K269 VanDerWaalsContact C-N 3.35Å |
| 268 | M | 50.1 | Low | 49.4 | Very low | 151 Ų | 151 | 125.7 Ų | 125.7 | 74% | 0.744 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -11.3 | 180 | -101.7 | -79.1 | 150.5 | 0 | 0 | 114.2 | ||
| 269 | K | 44.5 | Very low | 47.3 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 78% | 0.783 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -103 | -4.7 | -178.1 | -70.3 | -178 | 179.8 | 173.9 | 0 | 114.8 | D267 S271 | D267-K269 VanDerWaalsContact C-N 3.35Å; K269-S271 PolarHBondContact O-N 3.07Å |
| 270 | M | 41.6 | Very low | 45.1 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 83% | 0.828 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -98.3 | 26.6 | -170.3 | -154 | 66.1 | 102.5 | 0 | 0 | 115.2 | ||
| 271 | S | 37.5 | Very low | 43.3 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -149.8 | 121.4 | 168.1 | 63 | 0 | 0 | 0 | 0 | 109.4 | K269 | K269-S271 PolarHBondContact O-N 3.07Š|
| 272 | M | 41.4 | Very low | 42 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 87% | 0.872 | 72% | 0.721 | S | S | * | * | trans | 129.1 | -0.9 | 165.3 | -65.3 | -55.5 | -73.5 | 0 | 0 | 116.2 | D274 | M272-D274 PolarHBondContact O-N 3.14Š| ||
| 273 | S | 35.8 | Very low | 40.8 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 81% | 0.811 | 73% | 0.733 | S | S | * | * | trans | -92.3 | 73.7 | 170.4 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 274 | D | 37.8 | Very low | 39.8 | Very low | 141 Ų | 141 | 142.7 Ų | 142.7 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -111.1 | 107 | 161.9 | -110.9 | -28.9 | 0 | 0 | 0 | 108.5 | M272 | M272-D274 PolarHBondContact O-N 3.14Š| ||
| 275 | N | 35.8 | Very low | 38.8 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 72% | 0.717 | 76% | 0.759 | S | S | * | * | trans | 50 | 95.2 | 150.1 | -54 | -45.8 | 0 | 0 | 0 | 118.8 | ||||
| 276 | K | 39.9 | Very low | 38.1 | Very low | 214 Ų | 214 | 146 Ų | 146 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -118.2 | 106.2 | 146.5 | -79.3 | -173.6 | 177.7 | 178.1 | 0 | 108.8 | ||||
| 277 | D | 35.9 | Very low | 37.2 | Very low | 127 Ų | 127 | 149 Ų | 149 | 68% | 0.679 | 77% | 0.774 | S | S | * | * | trans | -60.7 | 152.7 | 169.2 | -67.9 | -41.4 | 0 | 0 | 0 | 111.2 | ||||
| 278 | E | 31.7 | Very low | 36.5 | Very low | 181 Ų | 181 | 148.8 Ų | 148.8 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -44.8 | 145.3 | -178.6 | -61.3 | 171.7 | 114.9 | 0 | 0 | 115.7 | ||||
| 279 | Q | 40 | Very low | 35.5 | Very low | 175 Ų | 175 | 150.6 Ų | 150.6 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -178 | 131.6 | 117.9 | -97.3 | 171.4 | 38.5 | 0 | 0 | 112.2 | |||||
| 280 | N | 31.8 | Very low | 34.9 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 84.6 | 111.6 | 148.4 | -61.5 | -29.3 | 0 | 0 | 0 | 120.9 | ||||
| 281 | L | 33.2 | Very low | 34.2 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | 117 | 87 | 118.3 | -142.8 | 68.3 | 0 | 0 | 0 | 117.4 | |||||
| 282 | V | 34.2 | Very low | 33.9 | Very low | 111 Ų | 111 | 146 Ų | 146 | 67% | 0.673 | 77% | 0.772 | S | S | * | * | 56.3 | 128.2 | 119.5 | -179.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 283 | K | 29.9 | Very low | 33.3 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | trans | 72.8 | 127.5 | 155.7 | -88.9 | 170.6 | -178.6 | 172.1 | 0 | 115.1 | ||||
| 284 | S | 35.9 | Very low | 33 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | cis | -161.5 | 158.6 | 40.6 | -67.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 285 | K | 31.1 | Very low | 32.7 | Very low | 196 Ų | 196 | 143.3 Ų | 143.3 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -54 | 168.1 | 175.8 | -71.4 | 167.1 | 166.5 | 174.3 | 0 | 115.8 | ||||
| 286 | S | 34.8 | Very low | 32.6 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 86 | 142.8 | 148.3 | 86.6 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 287 | N | 30.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 141.6 Ų | 141.6 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | cis | -179.6 | 160.4 | -2.8 | -118.5 | 0.7 | 0 | 0 | 0 | 105.2 | ||||
| 288 | V | 33.9 | Very low | 32.5 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | 74.7 | 109.5 | 143.1 | 174.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 289 | F | 29.3 | Very low | 32.9 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | 64.1 | 120.2 | 83.2 | -112.2 | -111.3 | 0 | 0 | 0 | 115.1 | |||||
| 290 | V | 31.5 | Very low | 33.4 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 62% | 0.624 | 77% | 0.774 | S | S | * | * | trans | 81.8 | 118.5 | 132.5 | 162.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 291 | N | 26.5 | Very low | 34.8 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | trans | 71 | 146.3 | 136.9 | -74.2 | 0.5 | 0 | 0 | 0 | 123.1 | ||||
| 292 | S | 31.2 | Very low | 36.5 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 69% | 0.685 | 75% | 0.749 | S | S | * | * | trans | 90.3 | 100.9 | 146.6 | -58.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 293 | S | 28.3 | Very low | 38.2 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | 54.5 | 131.7 | 117 | -50.9 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 294 | S | 29.1 | Very low | 39.8 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 75% | 0.748 | 74% | 0.744 | S | S | * | * | trans | 67.5 | 97 | 166.2 | 63.3 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 295 | N | 32.6 | Very low | 41.6 | Very low | 162 Ų | 162 | 135 Ų | 135 | 87% | 0.866 | 74% | 0.743 | S | S | * | * | -162.9 | 126.3 | 126 | -92 | -27.8 | 0 | 0 | 0 | 110.6 | S297 | N295-S297 PolarHBondContact O-N 3.13Š| |||
| 296 | Q | 33.3 | Very low | 43.7 | Very low | 204 Ų | 204 | 131 Ų | 131 | 95% | 0.953 | 73% | 0.73 | S | S | * | * | trans | -59.1 | 126.1 | 176.6 | -67.5 | 168.7 | -5.1 | 0 | 0 | 110 | ||||
| 297 | S | 30.5 | Very low | 45.6 | Very low | 108 Ų | 108 | 135.3 Ų | 135.3 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | -146.5 | 151.5 | 165 | 61.8 | 0 | 0 | 0 | 0 | 108.2 | N295 | N295-S297 PolarHBondContact O-N 3.13Š| ||
| 298 | P | 42.6 | Very low | 47.5 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | trans | -77.8 | 149 | -132.9 | 30.6 | -35.3 | 0 | 0 | 0 | 113.5 | T300 | P298-T300 PolarHBondContact O-N 3.36Š| ||
| 299 | E | 41.1 | Very low | 49.4 | Very low | 151 Ų | 151 | 137.4 Ų | 137.4 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -43.9 | 101.2 | 177 | -64.1 | -178.4 | 150.5 | 0 | 0 | 112.9 | K301 | E299-K301 HydrophobicContact CB-CG 4.49Å; E299-K301 PolarHBondContact O-N 3.43Å; E299-K301 IonicContact OE1-NZ 3.4Å; E299-K301 WeakPolarHBondContact OE2-CE 3.49Å; E299-K301 IonicContact OE2-NZ 2.87Å; E299-K301 PolarHBondContact OE2-NZ 3.02Å | ||
| 300 | T | 50.9 | Low | 51.4 | Low | 147 Ų | 147 | 136.6 Ų | 136.6 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -70.1 | 78.4 | 160.4 | 36.9 | 0 | 0 | 0 | 0 | 108.9 | P298 | P298-T300 PolarHBondContact O-N 3.36Š| ||
| 301 | K | 60.4 | Low | 53 | Low | 140 Ų | 140 | 137.5 Ų | 137.5 | 61% | 0.609 | 74% | 0.743 | S | S | * | * | trans | -69.7 | 129 | 169.7 | -89.5 | 168.7 | 173.6 | 147 | 0 | 109.5 | E299 | E299-K301 HydrophobicContact CB-CG 4.49Å; E299-K301 PolarHBondContact O-N 3.43Å; E299-K301 IonicContact OE1-NZ 3.4Å; E299-K301 WeakPolarHBondContact OE2-CE 3.49Å; E299-K301 IonicContact OE2-NZ 2.87Å; E299-K301 PolarHBondContact OE2-NZ 3.02Å | ||
| 302 | N | 69.3 | Low | 55.1 | Low | 76 Ų | 76 | 139.8 Ų | 139.8 | 41% | 0.406 | 75% | 0.749 | S | S | . | * | trans | -52.2 | 119 | -179.6 | -177.9 | -11.1 | 0 | 0 | 0 | 111 | F304 L305 | N302-F304 PolarHBondContact O-N 2.93Å; N302-F304 VanDerWaalsContact O-N 3.11Å; N302-F304 WeakPolarHBondContact OD1-CB 3.41Å; N302-F304 VanDerWaalsContact OD1-CD2 3.27Å; N302-F304 WeakPolarHBondContact OD1-CD2 3.46Å; N302-F304 PolarHBondContact OD1-N 3.19Å; N302-F304 VanDerWaalsContact OD1-N 3.08Å; N302-L305 HydrophobicContact CB-CD1 4.09Å; N302-L305 HydrophobicContact CB-CG 4.17Å; N302-L305 PolarHBondContact O-N 3.08Å | ||
| 303 | P | 70.5 | Confident | 56.3 | Low | 92 Ų | 92 | 149.9 Ų | 149.9 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -62.9 | -20.9 | -176.2 | 25.2 | -34.4 | 0 | 0 | 0 | 113.3 | L305 L306 | P303-L305 VanDerWaalsContact C-N 3.29Å; P303-L305 PolarHBondContact O-N 3.08Å; P303-L306 PolarHBondContact O-N 2.69Å |
| 304 | F | 62.6 | Low | 57.7 | Low | 184 Ų | 184 | 151.9 Ų | 151.9 | 81% | 0.807 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -78.4 | -10.8 | 177.3 | -59.8 | -69.8 | 0 | 0 | 0 | 113.9 | N302 | N302-F304 PolarHBondContact O-N 2.93Å; N302-F304 VanDerWaalsContact O-N 3.11Å; N302-F304 WeakPolarHBondContact OD1-CB 3.41Å; N302-F304 VanDerWaalsContact OD1-CD2 3.27Å; N302-F304 WeakPolarHBondContact OD1-CD2 3.46Å; N302-F304 PolarHBondContact OD1-N 3.19Å; N302-F304 VanDerWaalsContact OD1-N 3.08Å |
| 305 | L | 74.2 | Confident | 59.2 | Low | 144 Ų | 144 | 154.3 Ų | 154.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | G | 310 helix | trans | -97.5 | -0.1 | 174.4 | -62.5 | 179.4 | 0 | 0 | 0 | 112.7 | N302 P303 | N302-L305 HydrophobicContact CB-CD1 4.09Å; N302-L305 HydrophobicContact CB-CG 4.17Å; N302-L305 PolarHBondContact O-N 3.08Å; P303-L305 VanDerWaalsContact C-N 3.29Å; P303-L305 PolarHBondContact O-N 3.08Å |
| 306 | L | 74.6 | Confident | 60.7 | Low | 113 Ų | 113 | 153.8 Ų | 153.8 | 59% | 0.592 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -79.6 | 136.5 | 173.2 | -64 | 175.1 | 0 | 0 | 0 | 109.6 | P303 | P303-L306 PolarHBondContact O-N 2.69Š|
| 307 | K | 75.3 | Confident | 62.3 | Low | 194 Ų | 194 | 150.9 Ų | 150.9 | 84% | 0.843 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -59 | 134.3 | 172.9 | -67.5 | -176.7 | 179.3 | -179.2 | 0 | 109.1 | K309 | K307-K309 PolarHBondContact O-N 3.37Š|
| 308 | P | 70.1 | Confident | 64.3 | Low | 100 Ų | 100 | 153.6 Ų | 153.6 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 129.3 | 174.6 | 23.2 | -30.6 | 0 | 0 | 0 | 109.7 | F310 | P308-F310 HydrophobicContact CB-CE2 4.49Å; P308-F310 HydrophobicContact CG-CE2 4.24Å |
| 309 | K | 74.4 | Confident | 65.7 | Low | 206 Ų | 206 | 155.9 Ų | 155.9 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 116.6 | 170.8 | -73.7 | -172.6 | 175.8 | -174.9 | 0 | 108.5 | K307 | K307-K309 PolarHBondContact O-N 3.37Š|
| 310 | F | 70 | Confident | 67.5 | Low | 172 Ų | 172 | 156.3 Ų | 156.3 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 142.9 | 167.8 | -66.7 | -81.5 | 0 | 0 | 0 | 109.3 | P308 E312 | P308-F310 HydrophobicContact CB-CE2 4.49Å; P308-F310 HydrophobicContact CG-CE2 4.24Å; F310-E312 PolarHBondContact O-N 3.21Å |
| 311 | P | 66.5 | Low | 68.7 | Low | 121 Ų | 121 | 157 Ų | 157 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 130.3 | 168.4 | -15.1 | 28.2 | 0 | 0 | 0 | 109.8 | ||
| 312 | E | 68.8 | Low | 69.4 | Low | 188 Ų | 188 | 158.4 Ų | 158.4 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 141.4 | 162.9 | -67 | 175.4 | -179.9 | 0 | 0 | 108.1 | F310 | F310-E312 PolarHBondContact O-N 3.21Š|
| 313 | Y | 57.1 | Low | 69.5 | Low | 311 Ų | 311 | 165.9 Ų | 165.9 | 100% | 1.22 | 80% | 0.798 | S | S | * | * | trans | -47.8 | 0 | -170.2 | -78 | -88.8 | 0 | 0 | 0 | 115.5 |
Retrieved 313 of 313 residues in 70 ms
(Link to these results)