| 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 | 53.5 | Low | 76.9 | Confident | 161 Ų | 161 | 83.4 Ų | 83.4 | 79% | 0.793 | 47% | 0.474 | S | S | * | . | 0 | 129 | 0 | -77.1 | 148.4 | 87.7 | 0 | 0 | 107.7 | I6 C251 | M1-I6 HydrophobicContact CB-CD1 4.41Å; M1-C251 HydrophobicContact CE-CB 4.49Å | |||
| 2 | G | 70.4 | Confident | 77.8 | Confident | 54 Ų | 54 | 85.8 Ų | 85.8 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | trans | -64.6 | 148.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A4 C5 | G2-A4 PolarHBondContact O-N 3.37Å; G2-C5 WeakPolarHBondContact O-CB 3.38Å; G2-C5 PolarHBondContact O-N 3.39Å | ||
| 3 | S | 70.5 | Confident | 78.7 | Confident | 83 Ų | 83 | 79.2 Ų | 79.2 | 58% | 0.58 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -51.5 | -31.2 | -177.6 | -174.5 | 0 | 0 | 0 | 0 | 113.6 | K7 | S3-K7 PolarHBondContact O-N 3.27Å |
| 4 | A | 72.6 | Confident | 79.6 | Confident | 75 Ų | 75 | 78.4 Ų | 78.4 | 62% | 0.62 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -65.3 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | G2 I6 K7 V8 | G2-A4 PolarHBondContact O-N 3.37Å; A4-I6 VanDerWaalsContact C-N 3.33Å; A4-I6 PolarHBondContact O-N 3.39Å; A4-K7 PolarHBondContact O-N 3.05Å; A4-V8 WeakPolarHBondContact O-CG2 3.08Å; A4-V8 PolarHBondContact O-N 3.45Å |
| 5 | C | 77.4 | Confident | 80.5 | Confident | 57 Ų | 57 | 79.5 Ų | 79.5 | 39% | 0.385 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -66.3 | -35.5 | -179 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | G2 V8 T9 | G2-C5 WeakPolarHBondContact O-CB 3.38Å; G2-C5 PolarHBondContact O-N 3.39Å; C5-V8 PolarHBondContact O-N 3.27Å; C5-T9 WeakPolarHBondContact O-CB 3.34Å; C5-T9 PolarHBondContact O-N 3.4Å; C5-T9 PolarHBondContact O-OG1 3.31Å |
| 6 | I | 78.8 | Confident | 81.1 | Confident | 28 Ų | 28 | 77.4 Ų | 77.4 | 14% | 0.144 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -70.3 | -42.3 | 177.1 | -68.2 | 135.3 | 0 | 0 | 0 | 111.1 | M1 A4 V8 T9 K10 H255 | M1-I6 HydrophobicContact CB-CD1 4.41Å; A4-I6 VanDerWaalsContact C-N 3.33Å; A4-I6 PolarHBondContact O-N 3.39Å; I6-V8 VanDerWaalsContact C-N 3.34Å; I6-V8 PolarHBondContact O-N 3.37Å; I6-T9 WeakPolarHBondContact O-CB 3.36Å; I6-T9 PolarHBondContact O-N 3.44Å; I6-K10 PolarHBondContact O-N 2.69Å; I6-H255 WeakPolarHBondContact CD1-CD2 3.39Å; I6-H255 HydrophobicContact CG2-CB 4.3Å |
| 7 | K | 81 | Confident | 81.7 | Confident | 132 Ų | 132 | 73 Ų | 73 | 57% | 0.574 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 173.9 | -70.1 | -178.8 | -176.2 | 179.7 | 0 | 111.1 | S3 A4 T9 K10 Y11 | S3-K7 PolarHBondContact O-N 3.27Å; A4-K7 PolarHBondContact O-N 3.05Å; K7-T9 VanDerWaalsContact C-N 3.35Å; K7-T9 PolarHBondContact O-N 3.24Å; K7-K10 WeakPolarHBondContact O-CB 3.48Å; K7-K10 PolarHBondContact O-N 3.16Å; K7-Y11 WeakPolarHBondContact O-CD2 3.36Å; K7-Y11 PolarHBondContact O-N 3.25Å; K7-Y11 VanDerWaalsContact O-N 3.08Å |
| 8 | V | 84.1 | Confident | 82.4 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 60% | 0.6 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.8 | -45.3 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | A4 C5 I6 K10 Y11 F12 | A4-V8 WeakPolarHBondContact O-CG2 3.08Å; A4-V8 PolarHBondContact O-N 3.45Å; C5-V8 PolarHBondContact O-N 3.27Å; I6-V8 VanDerWaalsContact C-N 3.34Å; I6-V8 PolarHBondContact O-N 3.37Å; V8-K10 VanDerWaalsContact C-N 3.32Å; V8-K10 PolarHBondContact O-N 3.23Å; V8-Y11 PolarHBondContact O-N 3.13Å; V8-F12 VanDerWaalsContact O-CB 3.23Å; V8-F12 WeakPolarHBondContact O-CB 3.35Å; V8-F12 PolarHBondContact O-N 3.46Å |
| 9 | T | 83.5 | Confident | 83 | Confident | 19 Ų | 19 | 73.1 Ų | 73.1 | 12% | 0.117 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -58.1 | -43.4 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | C5 I6 K7 L13 L248 | C5-T9 WeakPolarHBondContact O-CB 3.34Å; C5-T9 PolarHBondContact O-N 3.4Å; C5-T9 PolarHBondContact O-OG1 3.31Å; I6-T9 WeakPolarHBondContact O-CB 3.36Å; I6-T9 PolarHBondContact O-N 3.44Å; K7-T9 VanDerWaalsContact C-N 3.35Å; K7-T9 PolarHBondContact O-N 3.24Å; T9-L13 VanDerWaalsContact O-CB 3.26Å; T9-L13 WeakPolarHBondContact O-CB 3.35Å; T9-L13 PolarHBondContact O-N 3.47Å; T9-L248 HydrophobicContact CG2-CB 4.46Å; T9-L248 HydrophobicContact CG2-CD2 3.79Å |
| 10 | K | 85.9 | Confident | 83.5 | Confident | 47 Ų | 47 | 72.4 Ų | 72.4 | 20% | 0.204 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61 | -53.4 | 177.3 | 176.6 | 176.8 | 179.2 | 163 | 0 | 111.9 | I6 K7 V8 F12 L13 F14 A77 V78 E80 L252 | I6-K10 PolarHBondContact O-N 2.69Å; K7-K10 WeakPolarHBondContact O-CB 3.48Å; K7-K10 PolarHBondContact O-N 3.16Å; V8-K10 VanDerWaalsContact C-N 3.32Å; V8-K10 PolarHBondContact O-N 3.23Å; K10-F12 VanDerWaalsContact C-N 3.33Å; K10-F12 PolarHBondContact O-N 3.44Å; K10-L13 PolarHBondContact O-N 2.95Å; K10-F14 WeakPolarHBondContact O-CB 3.42Å; K10-F14 PolarHBondContact O-N 3.12Å; K10-A77 WeakPolarHBondContact CE-O 3.36Å; K10-V78 PolarHBondContact NZ-O 3.49Å; K10-V78 VanDerWaalsContact NZ-O 3.1Å; K10-E80 IonicContact NZ-OE1 2.75Å; K10-E80 PolarHBondContact NZ-OE1 2.87Å; K10-L252 HydrophobicContact CB-CD1 4.32Å |
| 11 | Y | 87.9 | Confident | 84.1 | Confident | 162 Ų | 162 | 71.8 Ų | 71.8 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -65.6 | -37.8 | -178.7 | -73.4 | -68.8 | 0 | 0 | 0 | 112.2 | K7 V8 F14 L15 | K7-Y11 WeakPolarHBondContact O-CD2 3.36Å; K7-Y11 PolarHBondContact O-N 3.25Å; K7-Y11 VanDerWaalsContact O-N 3.08Å; V8-Y11 PolarHBondContact O-N 3.13Å; Y11-F14 PolarHBondContact O-N 3.47Å; Y11-L15 VanDerWaalsContact O-CB 3.32Å; Y11-L15 WeakPolarHBondContact O-CB 3.18Å; Y11-L15 PolarHBondContact O-N 3.14Å |
| 12 | F | 88.5 | Confident | 86.2 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 50% | 0.496 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.9 | -47.4 | 176.2 | -175.6 | -96.7 | 0 | 0 | 0 | 111.6 | V8 K10 F14 L15 F16 L248 | V8-F12 VanDerWaalsContact O-CB 3.23Å; V8-F12 WeakPolarHBondContact O-CB 3.35Å; V8-F12 PolarHBondContact O-N 3.46Å; K10-F12 VanDerWaalsContact C-N 3.33Å; K10-F12 PolarHBondContact O-N 3.44Å; F12-F14 VanDerWaalsContact C-N 3.33Å; F12-F14 PolarHBondContact O-N 2.88Å; F12-L15 PolarHBondContact O-N 3.03Å; F12-F16 VanDerWaalsContact O-CB 3.29Å; F12-F16 WeakPolarHBondContact O-CB 3.31Å; F12-F16 PolarHBondContact O-N 3.34Å; F12-L248 HydrophobicContact CD1-CD1 3.72Å; F12-L248 HydrophobicContact CE1-CD1 3.79Å |
| 13 | L | 88.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.5 | -40.3 | 177.6 | -174.5 | 65.3 | 0 | 0 | 0 | 111.7 | T9 K10 N17 A77 L85 Y88 L248 L252 | T9-L13 VanDerWaalsContact O-CB 3.26Å; T9-L13 WeakPolarHBondContact O-CB 3.35Å; T9-L13 PolarHBondContact O-N 3.47Å; K10-L13 PolarHBondContact O-N 2.95Å; L13-N17 VanDerWaalsContact CD1-ND2 3.33Å; L13-N17 WeakPolarHBondContact CD1-ND2 3.25Å; L13-N17 WeakPolarHBondContact O-CB 3.45Å; L13-N17 PolarHBondContact O-N 3.02Å; L13-N17 PolarHBondContact O-ND2 3.2Å; L13-A77 HydrophobicContact CD2-CB 4.14Å; L13-A77 HydrophobicContact CG-CB 4.29Å; L13-L85 HydrophobicContact CD2-CD1 3.95Å; L13-Y88 HydrophobicContact CD1-CE1 4.47Å; L13-L248 HydrophobicContact CD1-CB 3.96Å; L13-L248 HydrophobicContact CD1-CD1 4.37Å; L13-L252 HydrophobicContact CD2-CD2 3.96Å |
| 14 | F | 91.8 | Very high | 88.7 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 29% | 0.294 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -51.3 | 174.3 | 172.6 | -105 | 0 | 0 | 0 | 111.9 | K10 Y11 F12 F16 N17 L18 C74 A77 V78 | K10-F14 WeakPolarHBondContact O-CB 3.42Å; K10-F14 PolarHBondContact O-N 3.12Å; Y11-F14 PolarHBondContact O-N 3.47Å; F12-F14 VanDerWaalsContact C-N 3.33Å; F12-F14 PolarHBondContact O-N 2.88Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 2.88Å; F14-N17 PolarHBondContact O-N 3.43Å; F14-L18 HydrophobicContact CE1-CD2 4.2Å; F14-L18 HydrophobicContact CZ-CD2 4.26Å; F14-L18 VanDerWaalsContact O-CB 3.3Å; F14-L18 WeakPolarHBondContact O-CB 3.49Å; F14-L18 PolarHBondContact O-N 2.89Å; F14-C74 HydrophobicContact CD2-CB 4.06Å; F14-C74 HydrophobicContact CE2-CB 4.08Å; F14-A77 HydrophobicContact CB-CB 4.3Å; F14-V78 HydrophobicContact CD2-CG2 3.29Å; F14-V78 HydrophobicContact CE2-CG2 3.52Å; F14-V78 HydrophobicContact CG-CG2 3.99Å; F14-V78 HydrophobicContact CZ-CG2 4.38Å |
| 15 | L | 92.2 | Very high | 89.9 | Confident | 96 Ų | 96 | 64.4 Ų | 64.4 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | -179.7 | 178.4 | 63.6 | 0 | 0 | 0 | 111.5 | Y11 F12 L18 I19 | Y11-L15 VanDerWaalsContact O-CB 3.32Å; Y11-L15 WeakPolarHBondContact O-CB 3.18Å; Y11-L15 PolarHBondContact O-N 3.14Å; F12-L15 PolarHBondContact O-N 3.03Å; L15-L18 PolarHBondContact O-N 3.43Å; L15-I19 HydrophobicContact CG-CD1 4.36Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 3.23Å |
| 16 | F | 90.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 66.2 Ų | 66.2 | 20% | 0.202 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61 | -51.2 | 178.9 | -169.8 | -111.2 | 0 | 0 | 0 | 111.4 | F12 F14 L18 I19 F20 I241 | F12-F16 VanDerWaalsContact O-CB 3.29Å; F12-F16 WeakPolarHBondContact O-CB 3.31Å; F12-F16 PolarHBondContact O-N 3.34Å; F14-F16 VanDerWaalsContact C-N 3.32Å; F14-F16 PolarHBondContact O-N 2.88Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 3.4Å; F16-I19 WeakPolarHBondContact O-CB 3.42Å; F16-I19 PolarHBondContact O-N 3.42Å; F16-I19 VanDerWaalsContact O-N 3.16Å; F16-F20 HydrophobicContact CD1-CD2 4.01Å; F16-F20 AromaticContact CD1-CE2 3.64Å; F16-F20 HydrophobicContact CD1-CE2 3.64Å; F16-F20 AromaticContact CD2-CE2 3.98Å; F16-F20 HydrophobicContact CD2-CE2 3.98Å; F16-F20 HydrophobicContact CE1-CD2 4Å; F16-F20 AromaticContact CE1-CE2 3.25Å; F16-F20 HydrophobicContact CE1-CE2 3.25Å; F16-F20 HydrophobicContact CE1-CZ 4.04Å; F16-F20 AromaticContact CE2-CE2 3.62Å; F16-F20 HydrophobicContact CE2-CE2 3.62Å; F16-F20 HydrophobicContact CE2-CZ 4.22Å; F16-F20 HydrophobicContact CG-CD2 4.4Å; F16-F20 HydrophobicContact CG-CE2 4.01Å; F16-F20 HydrophobicContact CZ-CD2 4.37Å; F16-F20 AromaticContact CZ-CE2 3.26Å; F16-F20 HydrophobicContact CZ-CE2 3.26Å; F16-F20 AromaticContact CZ-CZ 3.75Å; F16-F20 HydrophobicContact CZ-CZ 3.75Å; F16-F20 WeakPolarHBondContact O-CD2 3.46Å; F16-F20 PolarHBondContact O-N 3.14Å; F16-I241 HydrophobicContact CE1-CG2 3.93Å; F16-I241 HydrophobicContact CZ-CB 4.42Å; F16-I241 HydrophobicContact CZ-CG1 4.33Å; F16-I241 HydrophobicContact CZ-CG2 3.56Å |
| 17 | N | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 67.7 Ų | 67.7 | 1% | 0.011 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.9 | -30.3 | 178.3 | -78 | -72 | 0 | 0 | 0 | 113 | L13 F14 I19 F20 F21 G70 Y88 | L13-N17 VanDerWaalsContact CD1-ND2 3.33Å; L13-N17 WeakPolarHBondContact CD1-ND2 3.25Å; L13-N17 WeakPolarHBondContact O-CB 3.45Å; L13-N17 PolarHBondContact O-N 3.02Å; L13-N17 PolarHBondContact O-ND2 3.2Å; F14-N17 PolarHBondContact O-N 3.43Å; N17-I19 VanDerWaalsContact C-N 3.34Å; N17-F20 PolarHBondContact O-N 2.98Å; N17-F21 WeakPolarHBondContact O-CB 3.36Å; N17-F21 PolarHBondContact O-N 2.78Å; N17-G70 WeakPolarHBondContact O-CA 3.36Å; N17-Y88 PolarHBondContact ND2-OH 3.01Å; N17-Y88 WeakPolarHBondContact OD1-CE2 3.39Å; N17-Y88 VanDerWaalsContact OD1-CZ 3.25Å; N17-Y88 PolarHBondContact OD1-OH 3.35Å |
| 18 | L | 94.3 | Very high | 92.4 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 33% | 0.325 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 174.1 | -177.9 | 64.9 | 0 | 0 | 0 | 110.8 | F14 L15 F16 F21 I22 C74 | F14-L18 HydrophobicContact CE1-CD2 4.2Å; F14-L18 HydrophobicContact CZ-CD2 4.26Å; F14-L18 VanDerWaalsContact O-CB 3.3Å; F14-L18 WeakPolarHBondContact O-CB 3.49Å; F14-L18 PolarHBondContact O-N 2.89Å; L15-L18 PolarHBondContact O-N 3.43Å; F16-L18 VanDerWaalsContact C-N 3.28Å; F16-L18 PolarHBondContact O-N 3.4Å; L18-F21 WeakPolarHBondContact O-CB 3.35Å; L18-F21 PolarHBondContact O-N 2.93Å; L18-I22 WeakPolarHBondContact O-CG1 3.3Å; L18-I22 PolarHBondContact O-N 3.18Å; L18-C74 VanDerWaalsContact CA-SG 3.6Å; L18-C74 PolarHBondContact N-SG 3.04Å |
| 19 | I | 94.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 60.6 Ų | 60.6 | 44% | 0.441 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.6 | -66.9 | 164.5 | 0 | 0 | 0 | 110.3 | L15 F16 N17 F21 I22 L23 | L15-I19 HydrophobicContact CG-CD1 4.36Å; L15-I19 WeakPolarHBondContact O-CG1 3.25Å; L15-I19 PolarHBondContact O-N 3.23Å; F16-I19 WeakPolarHBondContact O-CB 3.42Å; F16-I19 PolarHBondContact O-N 3.42Å; F16-I19 VanDerWaalsContact O-N 3.16Å; N17-I19 VanDerWaalsContact C-N 3.34Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.22Å; I19-I22 PolarHBondContact O-N 3.45Å; I19-L23 HydrophobicContact CG2-CD1 3.81Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.09Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.32Å |
| 20 | F | 92.9 | Very high | 93.2 | Very high | 59 Ų | 59 | 63.5 Ų | 63.5 | 26% | 0.259 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -37.7 | 176.1 | -75.8 | -76.9 | 0 | 0 | 0 | 113.1 | F16 N17 L23 G24 T66 I241 | F16-F20 HydrophobicContact CD1-CD2 4.01Å; F16-F20 AromaticContact CD1-CE2 3.64Å; F16-F20 HydrophobicContact CD1-CE2 3.64Å; F16-F20 AromaticContact CD2-CE2 3.98Å; F16-F20 HydrophobicContact CD2-CE2 3.98Å; F16-F20 HydrophobicContact CE1-CD2 4Å; F16-F20 AromaticContact CE1-CE2 3.25Å; F16-F20 HydrophobicContact CE1-CE2 3.25Å; F16-F20 HydrophobicContact CE1-CZ 4.04Å; F16-F20 AromaticContact CE2-CE2 3.62Å; F16-F20 HydrophobicContact CE2-CE2 3.62Å; F16-F20 HydrophobicContact CE2-CZ 4.22Å; F16-F20 HydrophobicContact CG-CD2 4.4Å; F16-F20 HydrophobicContact CG-CE2 4.01Å; F16-F20 HydrophobicContact CZ-CD2 4.37Å; F16-F20 AromaticContact CZ-CE2 3.26Å; F16-F20 HydrophobicContact CZ-CE2 3.26Å; F16-F20 AromaticContact CZ-CZ 3.75Å; F16-F20 HydrophobicContact CZ-CZ 3.75Å; F16-F20 WeakPolarHBondContact O-CD2 3.46Å; F16-F20 PolarHBondContact O-N 3.14Å; N17-F20 PolarHBondContact O-N 2.98Å; F20-L23 PolarHBondContact O-N 2.58Å; F20-G24 PolarHBondContact O-N 2.78Å; F20-T66 HydrophobicContact CB-CG2 4.34Å; F20-T66 HydrophobicContact CD1-CG2 4.21Å; F20-I241 HydrophobicContact CZ-CG2 4.08Å |
| 21 | F | 96.5 | Very high | 93.5 | Very high | 60 Ų | 60 | 61.3 Ų | 61.3 | 26% | 0.263 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.5 | -48.9 | 174.9 | 175.1 | -97.8 | 0 | 0 | 0 | 111.3 | N17 L18 I19 G24 A25 M67 F71 | N17-F21 WeakPolarHBondContact O-CB 3.36Å; N17-F21 PolarHBondContact O-N 2.78Å; L18-F21 WeakPolarHBondContact O-CB 3.35Å; L18-F21 PolarHBondContact O-N 2.93Å; I19-F21 VanDerWaalsContact C-N 3.31Å; I19-F21 PolarHBondContact O-N 3.22Å; F21-G24 PolarHBondContact O-N 3.26Å; F21-A25 WeakPolarHBondContact O-CB 3.43Å; F21-A25 PolarHBondContact O-N 3.34Å; F21-M67 HydrophobicContact CD2-CG 3.55Å; F21-M67 WeakPolarHBondContact CD2-O 3.18Å; F21-M67 HydrophobicContact CE2-CG 3.41Å; F21-M67 VanDerWaalsContact CE2-CG 3.41Å; F21-M67 HydrophobicContact CE2-SD 4.16Å; F21-M67 HydrophobicContact CG-CG 4.44Å; F21-M67 HydrophobicContact CZ-CG 4.23Å; F21-F71 HydrophobicContact CD2-CB 3.95Å; F21-F71 HydrophobicContact CE2-CB 4.11Å; F21-F71 HydrophobicContact CE2-CD2 4.27Å |
| 22 | I | 97.2 | Very high | 93.7 | Very high | 92 Ų | 92 | 56.9 Ų | 56.9 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 179 | -63 | -62.5 | 0 | 0 | 0 | 111.1 | L18 I19 G24 A25 V26 | L18-I22 WeakPolarHBondContact O-CG1 3.3Å; L18-I22 PolarHBondContact O-N 3.18Å; I19-I22 PolarHBondContact O-N 3.45Å; I22-G24 VanDerWaalsContact C-N 3.33Å; I22-G24 PolarHBondContact O-N 3.36Å; I22-A25 PolarHBondContact O-N 3.46Å; I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.49Å |
| 23 | L | 95.8 | Very high | 93.8 | Very high | 89 Ų | 89 | 58.9 Ų | 58.9 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 176.3 | -69.8 | 175.5 | 0 | 0 | 0 | 111.5 | I19 F20 A25 V26 I27 | I19-L23 HydrophobicContact CG2-CD1 3.81Å; I19-L23 HydrophobicContact CG2-CG 4.22Å; I19-L23 WeakPolarHBondContact O-CB 3.09Å; I19-L23 VanDerWaalsContact O-CG 3.31Å; I19-L23 WeakPolarHBondContact O-CG 3.49Å; I19-L23 PolarHBondContact O-N 3.32Å; F20-L23 PolarHBondContact O-N 2.58Å; L23-A25 PolarHBondContact O-N 3.05Å; L23-V26 PolarHBondContact O-N 3.46Å; L23-I27 VanDerWaalsContact O-CG1 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 3.08Å |
| 24 | G | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60.5 | -42.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F20 F21 I22 I27 L28 G63 | F20-G24 PolarHBondContact O-N 2.78Å; F21-G24 PolarHBondContact O-N 3.26Å; I22-G24 VanDerWaalsContact C-N 3.33Å; I22-G24 PolarHBondContact O-N 3.36Å; G24-I27 PolarHBondContact O-N 3.31Å; G24-L28 VanDerWaalsContact O-CB 3.26Å; G24-L28 WeakPolarHBondContact O-CB 3.18Å; G24-L28 PolarHBondContact O-N 3.44Å; G24-G63 WeakPolarHBondContact O-CA 3.38Å |
| 25 | A | 97.4 | Very high | 93.2 | Very high | 37 Ų | 37 | 57.9 Ų | 57.9 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | F21 I22 L23 G29 M67 | F21-A25 WeakPolarHBondContact O-CB 3.43Å; F21-A25 PolarHBondContact O-N 3.34Å; I22-A25 PolarHBondContact O-N 3.46Å; L23-A25 PolarHBondContact O-N 3.05Å; A25-G29 PolarHBondContact O-N 2.92Å; A25-M67 HydrophobicContact CB-SD 3.94Å |
| 26 | V | 97.2 | Very high | 92.9 | Very high | 94 Ų | 94 | 57.4 Ų | 57.4 | 57% | 0.57 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | 175.2 | 171.5 | 0 | 0 | 0 | 0 | 111 | I22 L23 L28 G29 F30 | I22-V26 WeakPolarHBondContact O-CG2 3.48Å; I22-V26 PolarHBondContact O-N 3.49Å; L23-V26 PolarHBondContact O-N 3.46Å; V26-L28 PolarHBondContact O-N 2.92Å; V26-G29 PolarHBondContact O-N 3.36Å; V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 2.98Å |
| 27 | I | 96.2 | Very high | 92.4 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 31% | 0.308 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.7 | -66.8 | 165.8 | 0 | 0 | 0 | 110.7 | L23 G24 F30 G31 F59 | L23-I27 VanDerWaalsContact O-CG1 3.27Å; L23-I27 WeakPolarHBondContact O-CG1 3.45Å; L23-I27 PolarHBondContact O-N 3.08Å; G24-I27 PolarHBondContact O-N 3.31Å; I27-F30 PolarHBondContact O-N 3.37Å; I27-G31 PolarHBondContact O-N 2.86Å; I27-F59 HydrophobicContact CG2-CB 4.23Å; I27-F59 HydrophobicContact CG2-CD1 4.33Å; I27-F59 WeakPolarHBondContact CG2-O 3.26Å |
| 28 | L | 96.4 | Very high | 91.3 | Very high | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 176.1 | -177.7 | 155.3 | 0 | 0 | 0 | 111 | G24 V26 F30 G31 V32 A64 M67 | G24-L28 VanDerWaalsContact O-CB 3.26Å; G24-L28 WeakPolarHBondContact O-CB 3.18Å; G24-L28 PolarHBondContact O-N 3.44Å; V26-L28 PolarHBondContact O-N 2.92Å; L28-F30 VanDerWaalsContact C-N 3.29Å; L28-F30 PolarHBondContact O-N 2.91Å; L28-G31 PolarHBondContact O-N 3Å; L28-V32 HydrophobicContact CD2-CG2 3.96Å; L28-V32 WeakPolarHBondContact O-CG2 3.18Å; L28-V32 PolarHBondContact O-N 3.42Å; L28-A64 HydrophobicContact CD1-CB 3.85Å; L28-M67 HydrophobicContact CD1-CE 4.04Å |
| 29 | G | 94.5 | Very high | 89.9 | Confident | 36 Ų | 36 | 63.6 Ų | 63.6 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59 | -41.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | A25 V26 V32 W33 | A25-G29 PolarHBondContact O-N 2.92Å; V26-G29 PolarHBondContact O-N 3.36Å; G29-V32 PolarHBondContact O-N 2.95Å; G29-W33 WeakPolarHBondContact O-CB 3.37Å; G29-W33 PolarHBondContact O-N 3.29Å |
| 30 | F | 91.6 | Very high | 88.6 | Confident | 81 Ų | 81 | 62.1 Ų | 62.1 | 36% | 0.355 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -62.9 | -45.4 | 174.6 | -171.9 | -107.7 | 0 | 0 | 0 | 112.2 | V26 I27 L28 V32 W33 I34 F41 F59 | V26-F30 WeakPolarHBondContact O-CB 3.43Å; V26-F30 PolarHBondContact O-N 2.98Å; I27-F30 PolarHBondContact O-N 3.37Å; L28-F30 VanDerWaalsContact C-N 3.29Å; L28-F30 PolarHBondContact O-N 2.91Å; F30-V32 PolarHBondContact O-N 3.36Å; F30-W33 HydrophobicContact CD2-CE3 4.37Å; F30-W33 PolarHBondContact O-N 3.43Å; F30-I34 HydrophobicContact CD1-CD1 3.8Å; F30-I34 HydrophobicContact CE1-CD1 3.5Å; F30-I34 VanDerWaalsContact CE1-CD1 3.5Å; F30-I34 HydrophobicContact CE1-CG1 4.35Å; F30-I34 HydrophobicContact CZ-CD1 4.03Å; F30-I34 HydrophobicContact CZ-CG1 4.48Å; F30-I34 WeakPolarHBondContact O-CG1 3.34Å; F30-I34 PolarHBondContact O-N 2.93Å; F30-F41 HydrophobicContact CE2-CE2 4.4Å; F30-F41 HydrophobicContact CZ-CE2 4.17Å; F30-F41 AromaticContact CZ-CZ 3.87Å; F30-F41 HydrophobicContact CZ-CZ 3.87Å; F30-F59 HydrophobicContact CD1-CD2 4.1Å; F30-F59 HydrophobicContact CD1-CE2 4.24Å; F30-F59 HydrophobicContact CE1-CD2 4.32Å; F30-F59 HydrophobicContact CE1-CE2 4.06Å |
| 31 | G | 91.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I27 L28 L35 | I27-G31 PolarHBondContact O-N 2.86Å; L28-G31 PolarHBondContact O-N 3Å; G31-L35 PolarHBondContact O-N 2.72Å |
| 32 | V | 92.1 | Very high | 85.6 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 42% | 0.424 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L28 G29 F30 I34 L35 A36 I60 | L28-V32 HydrophobicContact CD2-CG2 3.96Å; L28-V32 WeakPolarHBondContact O-CG2 3.18Å; L28-V32 PolarHBondContact O-N 3.42Å; G29-V32 PolarHBondContact O-N 2.95Å; F30-V32 PolarHBondContact O-N 3.36Å; V32-I34 PolarHBondContact O-N 2.83Å; V32-L35 PolarHBondContact O-N 3.33Å; V32-L35 VanDerWaalsContact O-N 3.14Å; V32-A36 WeakPolarHBondContact O-CB 3.32Å; V32-A36 PolarHBondContact O-N 2.98Å; V32-I60 HydrophobicContact CG2-CD1 4.09Å; V32-I60 HydrophobicContact CG2-CG1 4.07Å |
| 33 | W | 89.6 | Confident | 83.8 | Confident | 154 Ų | 154 | 60.7 Ų | 60.7 | 58% | 0.583 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.9 | -45.1 | 177.9 | -177.8 | 10.8 | 0 | 0 | 0 | 111.5 | G29 F30 L35 A36 D37 | G29-W33 WeakPolarHBondContact O-CB 3.37Å; G29-W33 PolarHBondContact O-N 3.29Å; F30-W33 HydrophobicContact CD2-CE3 4.37Å; F30-W33 PolarHBondContact O-N 3.43Å; W33-L35 PolarHBondContact O-N 2.88Å; W33-A36 PolarHBondContact O-N 3.17Å; W33-D37 PolarHBondContact O-N 3.37Å |
| 34 | I | 85.7 | Confident | 82.1 | Confident | 10 Ų | 10 | 62.1 Ų | 62.1 | 5% | 0.051 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.5 | -37.6 | 176.3 | -66.4 | 165.4 | 0 | 0 | 0 | 111.6 | F30 V32 F41 L52 A56 F59 | F30-I34 HydrophobicContact CD1-CD1 3.8Å; F30-I34 HydrophobicContact CE1-CD1 3.5Å; F30-I34 VanDerWaalsContact CE1-CD1 3.5Å; F30-I34 HydrophobicContact CE1-CG1 4.35Å; F30-I34 HydrophobicContact CZ-CD1 4.03Å; F30-I34 HydrophobicContact CZ-CG1 4.48Å; F30-I34 WeakPolarHBondContact O-CG1 3.34Å; F30-I34 PolarHBondContact O-N 2.93Å; V32-I34 PolarHBondContact O-N 2.83Å; I34-F41 HydrophobicContact CD1-CE1 3.98Å; I34-F41 HydrophobicContact CD1-CZ 4.11Å; I34-F41 HydrophobicContact CG1-CD1 4.08Å; I34-F41 HydrophobicContact CG1-CE1 3.76Å; I34-F41 HydrophobicContact CG1-CE2 4.34Å; I34-F41 HydrophobicContact CG1-CG 4.47Å; I34-F41 HydrophobicContact CG1-CZ 3.92Å; I34-F41 HydrophobicContact CG2-CD1 4.08Å; I34-F41 HydrophobicContact CG2-CE1 4.3Å; I34-L52 HydrophobicContact CG2-CB 4.37Å; I34-A56 HydrophobicContact CB-CB 3.92Å; I34-A56 HydrophobicContact CG2-CB 3.74Å; I34-F59 HydrophobicContact CD1-CD2 4.14Å; I34-F59 HydrophobicContact CD1-CE2 4.39Å |
| 35 | L | 83.7 | Confident | 80.5 | Confident | 37 Ų | 37 | 65.7 Ų | 65.7 | 19% | 0.194 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -77.1 | -30.9 | 177.8 | -66.5 | -175.1 | 0 | 0 | 0 | 113.7 | G31 V32 W33 K38 R53 A56 Y57 I60 | G31-L35 PolarHBondContact O-N 2.72Å; V32-L35 PolarHBondContact O-N 3.33Å; V32-L35 VanDerWaalsContact O-N 3.14Å; W33-L35 PolarHBondContact O-N 2.88Å; L35-K38 WeakPolarHBondContact O-CE 3.28Å; L35-K38 WeakPolarHBondContact O-CG 3.29Å; L35-R53 HydrophobicContact CD2-CB 4.32Å; L35-R53 HydrophobicContact CD2-CG 3.75Å; L35-A56 HydrophobicContact CD2-CB 3.69Å; L35-A56 HydrophobicContact CG-CB 3.76Å; L35-Y57 HydrophobicContact CD1-CD1 3.99Å; L35-Y57 HydrophobicContact CD1-CE1 3.63Å; L35-I60 HydrophobicContact CD1-CD1 3.46Å; L35-I60 VanDerWaalsContact CD1-CD1 3.46Å; L35-I60 HydrophobicContact CG-CD1 4.28Å |
| 36 | A | 84.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 68.4 Ų | 68.4 | 70% | 0.702 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -79.1 | -39.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V32 W33 | V32-A36 WeakPolarHBondContact O-CB 3.32Å; V32-A36 PolarHBondContact O-N 2.98Å; W33-A36 PolarHBondContact O-N 3.17Å |
| 37 | D | 80.6 | Confident | 76.9 | Confident | 49 Ų | 49 | 64.8 Ų | 64.8 | 26% | 0.262 | 37% | 0.365 | S | S | . | . | trans | -117.1 | 60.4 | -176.3 | -167.9 | 6 | 0 | 0 | 0 | 111.9 | W33 S39 S40 F41 | W33-D37 PolarHBondContact O-N 3.37Å; D37-S39 VanDerWaalsContact C-N 3.26Å; D37-S39 PolarHBondContact O-N 3.3Å; D37-S39 PolarHBondContact OD1-OG 3.4Å; D37-S40 VanDerWaalsContact CG-CB 3.47Å; D37-S40 VanDerWaalsContact CG-OG 3.22Å; D37-S40 VanDerWaalsContact OD1-CB 3.28Å; D37-S40 WeakPolarHBondContact OD1-CB 3.43Å; D37-S40 PolarHBondContact OD1-N 3.12Å; D37-S40 PolarHBondContact OD1-OG 3.22Å; D37-S40 WeakPolarHBondContact OD2-CB 3.41Å; D37-S40 PolarHBondContact OD2-OG 2.93Å; D37-F41 PolarHBondContact O-N 3.39Å | ||
| 38 | K | 69.1 | Low | 75.2 | Confident | 101 Ų | 101 | 62.4 Ų | 62.4 | 44% | 0.439 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.7 | -38.2 | -178.5 | -58.1 | 178.7 | -172.8 | 174.2 | 0 | 111.6 | L35 I42 | L35-K38 WeakPolarHBondContact O-CE 3.28Å; L35-K38 WeakPolarHBondContact O-CG 3.29Å; K38-I42 HydrophobicContact CB-CD1 4.24Å; K38-I42 VanDerWaalsContact O-CB 3.22Å; K38-I42 WeakPolarHBondContact O-CB 3.48Å; K38-I42 WeakPolarHBondContact O-CD1 3.34Å; K38-I42 WeakPolarHBondContact O-CG1 3.36Å; K38-I42 PolarHBondContact O-N 3.33Å |
| 39 | S | 64.9 | Low | 73.8 | Confident | 90 Ų | 90 | 63.2 Ų | 63.2 | 63% | 0.629 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -68.3 | -42.9 | -175.1 | 42.2 | 0 | 0 | 0 | 0 | 113.3 | D37 S43 | D37-S39 VanDerWaalsContact C-N 3.26Å; D37-S39 PolarHBondContact O-N 3.3Å; D37-S39 PolarHBondContact OD1-OG 3.4Å; S39-S43 PolarHBondContact O-N 3.27Å; S39-S43 PolarHBondContact O-OG 3.04Å |
| 40 | S | 65 | Low | 72.5 | Confident | 56 Ų | 56 | 62.8 Ų | 62.8 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -76.1 | -31.3 | -178.8 | -49.5 | 0 | 0 | 0 | 0 | 111.7 | D37 S43 V44 | D37-S40 VanDerWaalsContact CG-CB 3.47Å; D37-S40 VanDerWaalsContact CG-OG 3.22Å; D37-S40 VanDerWaalsContact OD1-CB 3.28Å; D37-S40 WeakPolarHBondContact OD1-CB 3.43Å; D37-S40 PolarHBondContact OD1-N 3.12Å; D37-S40 PolarHBondContact OD1-OG 3.22Å; D37-S40 WeakPolarHBondContact OD2-CB 3.41Å; D37-S40 PolarHBondContact OD2-OG 2.93Å; S40-S43 PolarHBondContact O-OG 3.15Å; S40-V44 VanDerWaalsContact O-CG2 3.26Å; S40-V44 WeakPolarHBondContact O-CG2 3.29Å; S40-V44 PolarHBondContact O-N 3.11Å |
| 41 | F | 65.4 | Low | 71.4 | Confident | 44 Ų | 44 | 59.7 Ų | 59.7 | 19% | 0.193 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -77 | -38 | 178.1 | -151 | -110.2 | 0 | 0 | 0 | 112.1 | F30 I34 D37 V44 L45 L52 | F30-F41 HydrophobicContact CE2-CE2 4.4Å; F30-F41 HydrophobicContact CZ-CE2 4.17Å; F30-F41 AromaticContact CZ-CZ 3.87Å; F30-F41 HydrophobicContact CZ-CZ 3.87Å; I34-F41 HydrophobicContact CD1-CE1 3.98Å; I34-F41 HydrophobicContact CD1-CZ 4.11Å; I34-F41 HydrophobicContact CG1-CD1 4.08Å; I34-F41 HydrophobicContact CG1-CE1 3.76Å; I34-F41 HydrophobicContact CG1-CE2 4.34Å; I34-F41 HydrophobicContact CG1-CG 4.47Å; I34-F41 HydrophobicContact CG1-CZ 3.92Å; I34-F41 HydrophobicContact CG2-CD1 4.08Å; I34-F41 HydrophobicContact CG2-CE1 4.3Å; D37-F41 PolarHBondContact O-N 3.39Å; F41-V44 PolarHBondContact O-N 3.36Å; F41-L45 HydrophobicContact CD1-CD1 3.6Å; F41-L45 HydrophobicContact CD2-CD1 4.38Å; F41-L45 HydrophobicContact CE1-CD1 3.07Å; F41-L45 HydrophobicContact CE1-CG 4.45Å; F41-L45 HydrophobicContact CE2-CD1 3.93Å; F41-L45 HydrophobicContact CG-CD1 4.24Å; F41-L45 HydrophobicContact CZ-CD1 3.25Å; F41-L45 PolarHBondContact O-N 3.48Å; F41-L52 HydrophobicContact CD1-CD1 4.2Å; F41-L52 HydrophobicContact CD1-CD2 3.92Å; F41-L52 HydrophobicContact CE1-CD2 3.87Å |
| 42 | I | 62.4 | Low | 70.7 | Confident | 56 Ų | 56 | 61 Ų | 61 | 29% | 0.287 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 174.5 | -71.4 | 164.8 | 0 | 0 | 0 | 111.2 | K38 V44 Q46 L52 | K38-I42 HydrophobicContact CB-CD1 4.24Å; K38-I42 VanDerWaalsContact O-CB 3.22Å; K38-I42 WeakPolarHBondContact O-CB 3.48Å; K38-I42 WeakPolarHBondContact O-CD1 3.34Å; K38-I42 WeakPolarHBondContact O-CG1 3.36Å; K38-I42 PolarHBondContact O-N 3.33Å; I42-V44 VanDerWaalsContact C-N 3.34Å; I42-V44 PolarHBondContact O-N 3.49Å; I42-Q46 WeakPolarHBondContact O-CA 3.23Å; I42-Q46 PolarHBondContact O-N 2.96Å; I42-L52 HydrophobicContact CG1-CD1 3.7Å |
| 43 | S | 59.2 | Low | 70.1 | Confident | 81 Ų | 81 | 63.5 Ų | 63.5 | 57% | 0.566 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -69.2 | -31.5 | 179.6 | 61.9 | 0 | 0 | 0 | 0 | 113.1 | S39 S40 | S39-S43 PolarHBondContact O-N 3.27Å; S39-S43 PolarHBondContact O-OG 3.04Å; S40-S43 PolarHBondContact O-OG 3.15Å |
| 44 | V | 59.9 | Low | 69.7 | Low | 118 Ų | 118 | 60.7 Ų | 60.7 | 72% | 0.715 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -81.5 | -40 | 179.4 | 173.4 | 0 | 0 | 0 | 0 | 112.5 | S40 F41 I42 | S40-V44 VanDerWaalsContact O-CG2 3.26Å; S40-V44 WeakPolarHBondContact O-CG2 3.29Å; S40-V44 PolarHBondContact O-N 3.11Å; F41-V44 PolarHBondContact O-N 3.36Å; I42-V44 VanDerWaalsContact C-N 3.34Å; I42-V44 PolarHBondContact O-N 3.49Å |
| 45 | L | 62.1 | Low | 69.7 | Low | 76 Ų | 76 | 61.7 Ų | 61.7 | 40% | 0.398 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -100.4 | -5.2 | -176.6 | -74 | 168.6 | 0 | 0 | 0 | 114.4 | F41 T47 | F41-L45 HydrophobicContact CD1-CD1 3.6Å; F41-L45 HydrophobicContact CD2-CD1 4.38Å; F41-L45 HydrophobicContact CE1-CD1 3.07Å; F41-L45 HydrophobicContact CE1-CG 4.45Å; F41-L45 HydrophobicContact CE2-CD1 3.93Å; F41-L45 HydrophobicContact CG-CD1 4.24Å; F41-L45 HydrophobicContact CZ-CD1 3.25Å; F41-L45 PolarHBondContact O-N 3.48Å; L45-T47 PolarHBondContact O-N 2.91Å; L45-T47 PolarHBondContact O-OG1 3.33Å |
| 46 | Q | 59 | Low | 69.9 | Low | 94 Ų | 94 | 60 Ų | 60 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | trans | 43 | 31.5 | -178.9 | -69.6 | -180 | -12.7 | 0 | 0 | 113.3 | I42 L186 | I42-Q46 WeakPolarHBondContact O-CA 3.23Å; I42-Q46 PolarHBondContact O-N 2.96Å; Q46-L186 HydrophobicContact CB-CD2 3.75Å; Q46-L186 WeakPolarHBondContact CB-O 3.44Å; Q46-L186 PolarHBondContact OE1-O 2.87Å | ||
| 47 | T | 60.9 | Low | 70.2 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.11 | 34% | 0.338 | C | S | . | . | trans | -100 | 150.7 | -177.4 | -67.6 | 0 | 0 | 0 | 0 | 109.1 | L45 L52 Y142 | L45-T47 PolarHBondContact O-N 2.91Å; L45-T47 PolarHBondContact O-OG1 3.33Å; T47-L52 HydrophobicContact CG2-CD1 4.27Å; T47-L52 HydrophobicContact CG2-CD2 3.92Å; T47-L52 HydrophobicContact CG2-CG 3.7Å; T47-Y142 HydrophobicContact CG2-CD2 3.92Å; T47-Y142 HydrophobicContact CG2-CE2 3.81Å | ||
| 48 | S | 60.8 | Low | 70.7 | Confident | 9 Ų | 9 | 63.3 Ų | 63.3 | 6% | 0.063 | 35% | 0.35 | C | S | . | . | trans | -58.3 | 138.4 | 176.8 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | S50 S51 L52 | S48-S50 PolarHBondContact O-N 3.44Å; S48-S51 PolarHBondContact O-N 2.89Å; S48-S51 WeakPolarHBondContact OG-CB 3.43Å; S48-S51 PolarHBondContact OG-OG 3.37Å; S48-L52 WeakPolarHBondContact O-CG 3.45Å; S48-L52 PolarHBondContact O-N 2.92Å | ||
| 49 | S | 66.3 | Low | 71.8 | Confident | 63 Ų | 63 | 62.9 Ų | 62.9 | 44% | 0.441 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -34.7 | -179.7 | 53.8 | 0 | 0 | 0 | 0 | 113.2 | R53 | S49-R53 WeakPolarHBondContact O-CB 3.4Å; S49-R53 PolarHBondContact O-N 2.97Å; S49-R53 VanDerWaalsContact O-N 3.12Å |
| 50 | S | 67.3 | Low | 73.3 | Confident | 27 Ų | 27 | 60.6 Ų | 60.6 | 19% | 0.189 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -75.3 | -43 | -177.7 | -45.7 | 0 | 0 | 0 | 0 | 113 | S48 L52 R53 M54 D138 | S48-S50 PolarHBondContact O-N 3.44Å; S50-L52 VanDerWaalsContact C-N 3.35Å; S50-R53 WeakPolarHBondContact O-CB 3.32Å; S50-R53 PolarHBondContact O-N 3.46Å; S50-R53 VanDerWaalsContact O-N 3.15Å; S50-M54 PolarHBondContact O-N 3.47Å; S50-D138 WeakPolarHBondContact CB-OD2 3.27Å; S50-D138 PolarHBondContact OG-OD2 2.93Å |
| 51 | S | 69.6 | Low | 74.8 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 11% | 0.112 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.9 | -39 | 178 | -54.5 | 0 | 0 | 0 | 0 | 111.1 | S48 R53 M54 G55 D138 T139 | S48-S51 PolarHBondContact O-N 2.89Å; S48-S51 WeakPolarHBondContact OG-CB 3.43Å; S48-S51 PolarHBondContact OG-OG 3.37Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 2.9Å; S51-M54 PolarHBondContact O-N 3.49Å; S51-G55 PolarHBondContact O-N 2.92Å; S51-D138 VanDerWaalsContact OG-C 3.28Å; S51-D138 PolarHBondContact OG-O 3.42Å; S51-D138 VanDerWaalsContact OG-O 3.05Å; S51-T139 WeakPolarHBondContact OG-CA 3.37Å; S51-T139 PolarHBondContact OG-N 3.39Å |
| 52 | L | 75.6 | Confident | 76.2 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -40.2 | 171.1 | -72.2 | 173 | 0 | 0 | 0 | 112.1 | I34 F41 I42 T47 S48 S50 G55 A56 | I34-L52 HydrophobicContact CG2-CB 4.37Å; F41-L52 HydrophobicContact CD1-CD1 4.2Å; F41-L52 HydrophobicContact CD1-CD2 3.92Å; F41-L52 HydrophobicContact CE1-CD2 3.87Å; I42-L52 HydrophobicContact CG1-CD1 3.7Å; T47-L52 HydrophobicContact CG2-CD1 4.27Å; T47-L52 HydrophobicContact CG2-CD2 3.92Å; T47-L52 HydrophobicContact CG2-CG 3.7Å; S48-L52 WeakPolarHBondContact O-CG 3.45Å; S48-L52 PolarHBondContact O-N 2.92Å; S50-L52 VanDerWaalsContact C-N 3.35Å; L52-G55 PolarHBondContact O-N 3.23Å; L52-A56 VanDerWaalsContact O-CB 3.25Å; L52-A56 WeakPolarHBondContact O-CB 3.45Å; L52-A56 PolarHBondContact O-N 3.4Å |
| 53 | R | 80.1 | Confident | 77.8 | Confident | 122 Ų | 122 | 58.5 Ų | 58.5 | 46% | 0.46 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 178.8 | -171.6 | -179.9 | -177.1 | 179.7 | -3.2 | 111.9 | L35 S49 S50 S51 A56 Y57 | L35-R53 HydrophobicContact CD2-CB 4.32Å; L35-R53 HydrophobicContact CD2-CG 3.75Å; S49-R53 WeakPolarHBondContact O-CB 3.4Å; S49-R53 PolarHBondContact O-N 2.97Å; S49-R53 VanDerWaalsContact O-N 3.12Å; S50-R53 WeakPolarHBondContact O-CB 3.32Å; S50-R53 PolarHBondContact O-N 3.46Å; S50-R53 VanDerWaalsContact O-N 3.15Å; S51-R53 VanDerWaalsContact C-N 3.3Å; S51-R53 PolarHBondContact O-N 2.9Å; R53-A56 PolarHBondContact O-N 2.91Å; R53-Y57 HydrophobicContact CG-CD2 4.07Å; R53-Y57 HydrophobicContact CG-CE2 3.51Å; R53-Y57 PolarHBondContact NE-OH 3.45Å; R53-Y57 VanDerWaalsContact NE-OH 3.08Å; R53-Y57 PolarHBondContact NH2-OH 3.33Å; R53-Y57 WeakPolarHBondContact O-CD2 3.37Å; R53-Y57 PolarHBondContact O-N 3.44Å |
| 54 | M | 81.9 | Confident | 79.6 | Confident | 95 Ų | 95 | 56.4 Ų | 56.4 | 47% | 0.468 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -47.9 | 176.4 | -167.2 | 174.8 | -137.2 | 0 | 0 | 111.2 | S50 S51 A56 Y57 V58 | S50-M54 PolarHBondContact O-N 3.47Å; S51-M54 PolarHBondContact O-N 3.49Å; M54-A56 VanDerWaalsContact C-N 3.31Å; M54-A56 PolarHBondContact O-N 2.95Å; M54-Y57 PolarHBondContact O-N 2.98Å; M54-V58 WeakPolarHBondContact O-CG2 3.33Å; M54-V58 PolarHBondContact O-N 3.42Å; M54-V58 VanDerWaalsContact O-N 3.13Å |
| 55 | G | 84.3 | Confident | 81.2 | Confident | 31 Ų | 31 | 54.9 Ų | 54.9 | 32% | 0.32 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -59.5 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | S51 L52 V58 F59 | S51-G55 PolarHBondContact O-N 2.92Å; L52-G55 PolarHBondContact O-N 3.23Å; G55-V58 WeakPolarHBondContact O-CB 3.41Å; G55-V58 PolarHBondContact O-N 2.94Å; G55-F59 PolarHBondContact O-N 3.41Å |
| 56 | A | 88.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.008 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I34 L35 L52 R53 M54 V58 F59 I60 | I34-A56 HydrophobicContact CB-CB 3.92Å; I34-A56 HydrophobicContact CG2-CB 3.74Å; L35-A56 HydrophobicContact CD2-CB 3.69Å; L35-A56 HydrophobicContact CG-CB 3.76Å; L52-A56 VanDerWaalsContact O-CB 3.25Å; L52-A56 WeakPolarHBondContact O-CB 3.45Å; L52-A56 PolarHBondContact O-N 3.4Å; R53-A56 PolarHBondContact O-N 2.91Å; M54-A56 VanDerWaalsContact C-N 3.31Å; M54-A56 PolarHBondContact O-N 2.95Å; A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 2.89Å; A56-F59 PolarHBondContact O-N 2.9Å; A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.38Å; A56-I60 PolarHBondContact O-N 2.86Å |
| 57 | Y | 90.2 | Very high | 84.5 | Confident | 119 Ų | 119 | 51.3 Ų | 51.3 | 47% | 0.467 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 174.1 | -72.7 | -50.6 | 0 | 0 | 0 | 112.4 | L35 R53 M54 I60 G61 | L35-Y57 HydrophobicContact CD1-CD1 3.99Å; L35-Y57 HydrophobicContact CD1-CE1 3.63Å; R53-Y57 HydrophobicContact CG-CD2 4.07Å; R53-Y57 HydrophobicContact CG-CE2 3.51Å; R53-Y57 PolarHBondContact NE-OH 3.45Å; R53-Y57 VanDerWaalsContact NE-OH 3.08Å; R53-Y57 PolarHBondContact NH2-OH 3.33Å; R53-Y57 WeakPolarHBondContact O-CD2 3.37Å; R53-Y57 PolarHBondContact O-N 3.44Å; M54-Y57 PolarHBondContact O-N 2.98Å; Y57-I60 PolarHBondContact O-N 2.84Å; Y57-G61 PolarHBondContact O-N 3.45Å |
| 58 | V | 92.3 | Very high | 86.1 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 52% | 0.521 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 173.5 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | M54 G55 A56 I60 G61 V62 | M54-V58 WeakPolarHBondContact O-CG2 3.33Å; M54-V58 PolarHBondContact O-N 3.42Å; M54-V58 VanDerWaalsContact O-N 3.13Å; G55-V58 WeakPolarHBondContact O-CB 3.41Å; G55-V58 PolarHBondContact O-N 2.94Å; A56-V58 VanDerWaalsContact C-N 3.3Å; A56-V58 PolarHBondContact O-N 2.89Å; V58-I60 PolarHBondContact O-N 3.43Å; V58-G61 PolarHBondContact O-N 2.8Å; V58-V62 HydrophobicContact CG1-CG2 4.24Å; V58-V62 WeakPolarHBondContact O-CB 3.41Å; V58-V62 WeakPolarHBondContact O-CG2 3.3Å; V58-V62 PolarHBondContact O-N 3.49Å |
| 59 | F | 92.8 | Very high | 87.6 | Confident | 91 Ų | 91 | 55.6 Ų | 55.6 | 40% | 0.399 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.5 | -71.3 | -38.2 | 0 | 0 | 0 | 112.7 | I27 F30 I34 G55 A56 G63 | I27-F59 HydrophobicContact CG2-CB 4.23Å; I27-F59 HydrophobicContact CG2-CD1 4.33Å; I27-F59 WeakPolarHBondContact CG2-O 3.26Å; F30-F59 HydrophobicContact CD1-CD2 4.1Å; F30-F59 HydrophobicContact CD1-CE2 4.24Å; F30-F59 HydrophobicContact CE1-CD2 4.32Å; F30-F59 HydrophobicContact CE1-CE2 4.06Å; I34-F59 HydrophobicContact CD1-CD2 4.14Å; I34-F59 HydrophobicContact CD1-CE2 4.39Å; G55-F59 PolarHBondContact O-N 3.41Å; A56-F59 PolarHBondContact O-N 2.9Å; F59-G63 WeakPolarHBondContact O-CA 3.29Å; F59-G63 PolarHBondContact O-N 3.47Å |
| 60 | I | 95.3 | Very high | 88.9 | Confident | 43 Ų | 43 | 52.7 Ų | 52.7 | 22% | 0.221 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60.8 | -47.4 | 175.1 | -68.7 | 167.8 | 0 | 0 | 0 | 110.5 | V32 L35 A56 Y57 V58 A64 | V32-I60 HydrophobicContact CG2-CD1 4.09Å; V32-I60 HydrophobicContact CG2-CG1 4.07Å; L35-I60 HydrophobicContact CD1-CD1 3.46Å; L35-I60 VanDerWaalsContact CD1-CD1 3.46Å; L35-I60 HydrophobicContact CG-CD1 4.28Å; A56-I60 VanDerWaalsContact O-CG1 3.28Å; A56-I60 WeakPolarHBondContact O-CG1 3.38Å; A56-I60 PolarHBondContact O-N 2.86Å; Y57-I60 PolarHBondContact O-N 2.84Å; V58-I60 PolarHBondContact O-N 3.43Å; I60-A64 WeakPolarHBondContact O-CB 3.38Å; I60-A64 PolarHBondContact O-N 2.93Å |
| 61 | G | 95.7 | Very high | 90 | Very high | 35 Ų | 35 | 56.3 Ų | 56.3 | 36% | 0.361 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.6 | -52.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y57 V58 A64 V65 | Y57-G61 PolarHBondContact O-N 3.45Å; V58-G61 PolarHBondContact O-N 2.8Å; G61-A64 PolarHBondContact O-N 2.91Å; G61-V65 WeakPolarHBondContact O-CG2 3.22Å; G61-V65 PolarHBondContact O-N 3.46Å |
| 62 | V | 95 | Very high | 91.1 | Very high | 76 Ų | 76 | 56.9 Ų | 56.9 | 46% | 0.461 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.7 | -44.7 | 179.2 | 173.8 | 0 | 0 | 0 | 0 | 111 | V58 T66 | V58-V62 HydrophobicContact CG1-CG2 4.24Å; V58-V62 WeakPolarHBondContact O-CB 3.41Å; V58-V62 WeakPolarHBondContact O-CG2 3.3Å; V58-V62 PolarHBondContact O-N 3.49Å; V62-T66 WeakPolarHBondContact O-CB 3.27Å; V62-T66 PolarHBondContact O-N 3.3Å; V62-T66 PolarHBondContact O-OG1 3.4Å |
| 63 | G | 96.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G24 F59 T66 M67 | G24-G63 WeakPolarHBondContact O-CA 3.38Å; F59-G63 WeakPolarHBondContact O-CA 3.29Å; F59-G63 PolarHBondContact O-N 3.47Å; G63-T66 PolarHBondContact O-N 2.78Å; G63-M67 WeakPolarHBondContact O-CB 3.46Å; G63-M67 PolarHBondContact O-N 3.44Å |
| 64 | A | 96.6 | Very high | 92.3 | Very high | 37 Ų | 37 | 50.4 Ų | 50.4 | 31% | 0.306 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.9 | -46.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L28 I60 G61 M67 L68 | L28-A64 HydrophobicContact CD1-CB 3.85Å; I60-A64 WeakPolarHBondContact O-CB 3.38Å; I60-A64 PolarHBondContact O-N 2.93Å; G61-A64 PolarHBondContact O-N 2.91Å; A64-M67 PolarHBondContact O-N 2.95Å; A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 PolarHBondContact O-N 2.92Å |
| 65 | V | 94.2 | Very high | 92.8 | Very high | 87 Ų | 87 | 48.2 Ų | 48.2 | 53% | 0.527 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 178.1 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | G61 M67 L68 M69 | G61-V65 WeakPolarHBondContact O-CG2 3.22Å; G61-V65 PolarHBondContact O-N 3.46Å; V65-M67 PolarHBondContact O-N 3.36Å; V65-L68 PolarHBondContact O-N 3.15Å; V65-M69 HydrophobicContact CG1-CG 4.45Å; V65-M69 WeakPolarHBondContact O-CB 3.28Å; V65-M69 VanDerWaalsContact O-CG 3.29Å; V65-M69 WeakPolarHBondContact O-CG 3.21Å; V65-M69 PolarHBondContact O-N 3.37Å |
| 66 | T | 94.3 | Very high | 93 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 23% | 0.233 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 179.1 | -54.4 | 0 | 0 | 0 | 0 | 111.5 | F20 V62 G63 M69 G70 | F20-T66 HydrophobicContact CB-CG2 4.34Å; F20-T66 HydrophobicContact CD1-CG2 4.21Å; V62-T66 WeakPolarHBondContact O-CB 3.27Å; V62-T66 PolarHBondContact O-N 3.3Å; V62-T66 PolarHBondContact O-OG1 3.4Å; G63-T66 PolarHBondContact O-N 2.78Å; T66-M69 PolarHBondContact O-N 2.72Å; T66-G70 PolarHBondContact O-N 2.97Å |
| 67 | M | 95.9 | Very high | 93 | Very high | 56 Ų | 56 | 46.7 Ų | 46.7 | 28% | 0.276 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 176.7 | -173.4 | -178.7 | 70.6 | 0 | 0 | 111.3 | F21 A25 L28 G63 A64 V65 M69 G70 F71 | F21-M67 HydrophobicContact CD2-CG 3.55Å; F21-M67 WeakPolarHBondContact CD2-O 3.18Å; F21-M67 HydrophobicContact CE2-CG 3.41Å; F21-M67 VanDerWaalsContact CE2-CG 3.41Å; F21-M67 HydrophobicContact CE2-SD 4.16Å; F21-M67 HydrophobicContact CG-CG 4.44Å; F21-M67 HydrophobicContact CZ-CG 4.23Å; A25-M67 HydrophobicContact CB-SD 3.94Å; L28-M67 HydrophobicContact CD1-CE 4.04Å; G63-M67 WeakPolarHBondContact O-CB 3.46Å; G63-M67 PolarHBondContact O-N 3.44Å; A64-M67 PolarHBondContact O-N 2.95Å; V65-M67 PolarHBondContact O-N 3.36Å; M67-M69 VanDerWaalsContact C-N 3.35Å; M67-M69 PolarHBondContact O-N 3.37Å; M67-G70 PolarHBondContact O-N 2.94Å; M67-F71 WeakPolarHBondContact O-CB 3.4Å; M67-F71 PolarHBondContact O-N 3.31Å |
| 68 | L | 93.7 | Very high | 92.9 | Very high | 98 Ų | 98 | 44.2 Ų | 44.2 | 51% | 0.513 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 177.2 | 178.5 | 63.4 | 0 | 0 | 0 | 111.5 | A64 V65 F71 L72 | A64-L68 WeakPolarHBondContact O-CB 3.48Å; A64-L68 PolarHBondContact O-N 2.92Å; V65-L68 PolarHBondContact O-N 3.15Å; L68-F71 WeakPolarHBondContact O-CB 3.44Å; L68-F71 PolarHBondContact O-N 3.38Å; L68-L72 HydrophobicContact CD1-CD1 4.47Å; L68-L72 HydrophobicContact CD1-CG 4.42Å; L68-L72 HydrophobicContact CG-CD1 4.29Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.47Å |
| 69 | M | 92.1 | Very high | 92.6 | Very high | 20 Ų | 20 | 45 Ų | 45 | 10% | 0.099 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -45 | 178 | -75.9 | -63.5 | -69.1 | 0 | 0 | 112.1 | V65 T66 M67 F71 L72 G73 Y88 F91 L92 | V65-M69 HydrophobicContact CG1-CG 4.45Å; V65-M69 WeakPolarHBondContact O-CB 3.28Å; V65-M69 VanDerWaalsContact O-CG 3.29Å; V65-M69 WeakPolarHBondContact O-CG 3.21Å; V65-M69 PolarHBondContact O-N 3.37Å; T66-M69 PolarHBondContact O-N 2.72Å; M67-M69 VanDerWaalsContact C-N 3.35Å; M67-M69 PolarHBondContact O-N 3.37Å; M69-F71 VanDerWaalsContact C-N 3.32Å; M69-F71 PolarHBondContact O-N 2.9Å; M69-L72 PolarHBondContact O-N 3.37Å; M69-G73 PolarHBondContact O-N 2.94Å; M69-Y88 HydrophobicContact CE-CD2 3.83Å; M69-Y88 HydrophobicContact CE-CE2 4.15Å; M69-F91 HydrophobicContact CE-CB 3.38Å; M69-F91 HydrophobicContact CE-CG 4.35Å; M69-F91 HydrophobicContact SD-CB 3.47Å; M69-F91 WeakPolarHBondContact SD-CB 3.43Å; M69-F91 HydrophobicContact SD-CD2 3.97Å; M69-F91 HydrophobicContact SD-CG 3.8Å; M69-L92 HydrophobicContact CE-CD2 3.97Å; M69-L92 HydrophobicContact CE-CG 4.11Å |
| 70 | G | 93.5 | Very high | 92.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N17 T66 M67 G73 C74 | N17-G70 WeakPolarHBondContact O-CA 3.36Å; T66-G70 PolarHBondContact O-N 2.97Å; M67-G70 PolarHBondContact O-N 2.94Å; G70-G73 PolarHBondContact O-N 3.23Å; G70-C74 WeakPolarHBondContact O-CB 3.4Å; G70-C74 PolarHBondContact O-N 2.93Å; G70-C74 PolarHBondContact O-SG 3.45Å |
| 71 | F | 92.3 | Very high | 91.9 | Very high | 103 Ų | 103 | 44.5 Ų | 44.5 | 45% | 0.452 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 177 | -177.9 | -107.5 | 0 | 0 | 0 | 112.5 | F21 M67 L68 M69 G73 C74 I75 | F21-F71 HydrophobicContact CD2-CB 3.95Å; F21-F71 HydrophobicContact CE2-CB 4.11Å; F21-F71 HydrophobicContact CE2-CD2 4.27Å; M67-F71 WeakPolarHBondContact O-CB 3.4Å; M67-F71 PolarHBondContact O-N 3.31Å; L68-F71 WeakPolarHBondContact O-CB 3.44Å; L68-F71 PolarHBondContact O-N 3.38Å; M69-F71 VanDerWaalsContact C-N 3.32Å; M69-F71 PolarHBondContact O-N 2.9Å; F71-G73 PolarHBondContact O-N 3.1Å; F71-C74 PolarHBondContact O-N 2.94Å; F71-I75 HydrophobicContact CD1-CD1 3.99Å; F71-I75 HydrophobicContact CD2-CD1 4.13Å; F71-I75 HydrophobicContact CE1-CD1 3.39Å; F71-I75 HydrophobicContact CE2-CD1 3.55Å; F71-I75 HydrophobicContact CE2-CG1 4.28Å; F71-I75 HydrophobicContact CG-CD1 4.35Å; F71-I75 HydrophobicContact CZ-CD1 3.17Å; F71-I75 HydrophobicContact CZ-CG1 4.31Å; F71-I75 WeakPolarHBondContact O-CG1 3.3Å; F71-I75 PolarHBondContact O-N 3.2Å |
| 72 | L | 91.1 | Very high | 91.5 | Very high | 28 Ų | 28 | 46.1 Ų | 46.1 | 15% | 0.147 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 176.7 | -67.4 | 173.9 | 0 | 0 | 0 | 111.6 | L68 M69 G76 L84 | L68-L72 HydrophobicContact CD1-CD1 4.47Å; L68-L72 HydrophobicContact CD1-CG 4.42Å; L68-L72 HydrophobicContact CG-CD1 4.29Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.47Å; M69-L72 PolarHBondContact O-N 3.37Å; L72-G76 PolarHBondContact O-N 3.05Å; L72-L84 HydrophobicContact CD2-CD2 3.85Å |
| 73 | G | 90.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.4 | -43.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | M69 G70 F71 A77 | M69-G73 PolarHBondContact O-N 2.94Å; G70-G73 PolarHBondContact O-N 3.23Å; F71-G73 PolarHBondContact O-N 3.1Å; G73-A77 VanDerWaalsContact O-CB 3.28Å; G73-A77 WeakPolarHBondContact O-CB 3.29Å; G73-A77 PolarHBondContact O-N 3.5Å |
| 74 | C | 91.4 | Very high | 90.9 | Very high | 13 Ų | 13 | 48.8 Ų | 48.8 | 9% | 0.088 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.6 | -51.5 | 176.5 | -77 | 0 | 0 | 0 | 0 | 112.6 | F14 L18 G70 F71 A77 V78 | F14-C74 HydrophobicContact CD2-CB 4.06Å; F14-C74 HydrophobicContact CE2-CB 4.08Å; L18-C74 VanDerWaalsContact CA-SG 3.6Å; L18-C74 PolarHBondContact N-SG 3.04Å; G70-C74 WeakPolarHBondContact O-CB 3.4Å; G70-C74 PolarHBondContact O-N 2.93Å; G70-C74 PolarHBondContact O-SG 3.45Å; F71-C74 PolarHBondContact O-N 2.94Å; C74-A77 PolarHBondContact O-N 3.4Å; C74-V78 WeakPolarHBondContact O-CG2 3.47Å; C74-V78 PolarHBondContact O-N 2.86Å |
| 75 | I | 91.3 | Very high | 90.5 | Very high | 50 Ų | 50 | 47 Ų | 47 | 26% | 0.256 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | -179.7 | -66 | -174.4 | 0 | 0 | 0 | 110.6 | F71 A77 V78 N79 L84 | F71-I75 HydrophobicContact CD1-CD1 3.99Å; F71-I75 HydrophobicContact CD2-CD1 4.13Å; F71-I75 HydrophobicContact CE1-CD1 3.39Å; F71-I75 HydrophobicContact CE2-CD1 3.55Å; F71-I75 HydrophobicContact CE2-CG1 4.28Å; F71-I75 HydrophobicContact CG-CD1 4.35Å; F71-I75 HydrophobicContact CZ-CD1 3.17Å; F71-I75 HydrophobicContact CZ-CG1 4.31Å; F71-I75 WeakPolarHBondContact O-CG1 3.3Å; F71-I75 PolarHBondContact O-N 3.2Å; I75-A77 VanDerWaalsContact C-N 3.28Å; I75-A77 PolarHBondContact O-N 2.91Å; I75-V78 PolarHBondContact O-N 3.38Å; I75-N79 HydrophobicContact CG2-CB 4.49Å; I75-N79 WeakPolarHBondContact CG2-ND2 3.17Å; I75-N79 WeakPolarHBondContact O-CB 3.39Å; I75-N79 PolarHBondContact O-N 2.95Å; I75-L84 HydrophobicContact CB-CD1 4.1Å; I75-L84 HydrophobicContact CG2-CD1 3.35Å |
| 76 | G | 88.1 | Confident | 90.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L72 E80 V81 | L72-G76 PolarHBondContact O-N 3.05Å; G76-E80 WeakPolarHBondContact O-CA 3.34Å; G76-E80 PolarHBondContact O-N 3.46Å; G76-V81 PolarHBondContact O-N 2.94Å |
| 77 | A | 89 | Confident | 90.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -72.8 | -45.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K10 L13 F14 G73 C74 I75 L252 | K10-A77 WeakPolarHBondContact CE-O 3.36Å; L13-A77 HydrophobicContact CD2-CB 4.14Å; L13-A77 HydrophobicContact CG-CB 4.29Å; F14-A77 HydrophobicContact CB-CB 4.3Å; G73-A77 VanDerWaalsContact O-CB 3.28Å; G73-A77 WeakPolarHBondContact O-CB 3.29Å; G73-A77 PolarHBondContact O-N 3.5Å; C74-A77 PolarHBondContact O-N 3.4Å; I75-A77 VanDerWaalsContact C-N 3.28Å; I75-A77 PolarHBondContact O-N 2.91Å; A77-L252 HydrophobicContact CB-CD2 4.26Å |
| 78 | V | 88.3 | Confident | 90 | Very high | 66 Ų | 66 | 44.1 Ų | 44.1 | 40% | 0.4 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -72.6 | -50.7 | -175.6 | 172.8 | 0 | 0 | 0 | 0 | 111.7 | K10 F14 C74 I75 E80 | K10-V78 PolarHBondContact NZ-O 3.49Å; K10-V78 VanDerWaalsContact NZ-O 3.1Å; F14-V78 HydrophobicContact CD2-CG2 3.29Å; F14-V78 HydrophobicContact CE2-CG2 3.52Å; F14-V78 HydrophobicContact CG-CG2 3.99Å; F14-V78 HydrophobicContact CZ-CG2 4.38Å; C74-V78 WeakPolarHBondContact O-CG2 3.47Å; C74-V78 PolarHBondContact O-N 2.86Å; I75-V78 PolarHBondContact O-N 3.38Å; V78-E80 VanDerWaalsContact C-N 3.29Å; V78-E80 PolarHBondContact O-N 3.12Å |
| 79 | N | 86.3 | Confident | 90 | Very high | 103 Ų | 103 | 42.2 Ų | 42.2 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -86 | -1.3 | -175 | -65.3 | -20.1 | 0 | 0 | 0 | 112.9 | I75 V81 | I75-N79 HydrophobicContact CG2-CB 4.49Å; I75-N79 WeakPolarHBondContact CG2-ND2 3.17Å; I75-N79 WeakPolarHBondContact O-CB 3.39Å; I75-N79 PolarHBondContact O-N 2.95Å; N79-V81 HydrophobicContact CB-CG2 3.78Å; N79-V81 PolarHBondContact O-N 2.96Å; N79-V81 VanDerWaalsContact O-N 3.12Å |
| 80 | E | 86.1 | Confident | 90.1 | Very high | 66 Ų | 66 | 43.3 Ų | 43.3 | 31% | 0.308 | 24% | 0.24 | S | C | . | . | trans | 56 | 31.5 | 177.3 | -68.5 | 172.4 | -172.6 | 0 | 0 | 113.1 | K10 G76 V78 R82 V256 | K10-E80 IonicContact NZ-OE1 2.75Å; K10-E80 PolarHBondContact NZ-OE1 2.87Å; G76-E80 WeakPolarHBondContact O-CA 3.34Å; G76-E80 PolarHBondContact O-N 3.46Å; V78-E80 VanDerWaalsContact C-N 3.29Å; V78-E80 PolarHBondContact O-N 3.12Å; E80-R82 PolarHBondContact O-N 3.32Å; E80-V256 HydrophobicContact CB-CG1 4.38Å; E80-V256 HydrophobicContact CB-CG2 3.76Å; E80-V256 HydrophobicContact CG-CG2 4.06Å; E80-V256 WeakPolarHBondContact O-CG1 3.38Å | ||
| 81 | V | 87.8 | Confident | 90.1 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 35% | 0.352 | 26% | 0.259 | S | S | . | . | trans | -83.7 | 106.9 | -178.3 | -177.9 | 0 | 0 | 0 | 0 | 109.9 | G76 N79 C83 L84 L85 | G76-V81 PolarHBondContact O-N 2.94Å; N79-V81 HydrophobicContact CB-CG2 3.78Å; N79-V81 PolarHBondContact O-N 2.96Å; N79-V81 VanDerWaalsContact O-N 3.12Å; V81-C83 VanDerWaalsContact C-N 3.28Å; V81-C83 HydrophobicContact CG1-CB 4.35Å; V81-C83 PolarHBondContact O-N 2.91Å; V81-L84 HydrophobicContact CB-CB 4.3Å; V81-L84 HydrophobicContact CB-CD1 3.99Å; V81-L84 HydrophobicContact CB-CG 4.2Å; V81-L84 HydrophobicContact CG1-CB 4.33Å; V81-L84 HydrophobicContact CG1-CD1 4.12Å; V81-L84 HydrophobicContact CG1-CG 3.95Å; V81-L84 HydrophobicContact CG2-CD1 4.39Å; V81-L84 PolarHBondContact O-N 3.2Å; V81-L84 VanDerWaalsContact O-N 3.15Å; V81-L85 PolarHBondContact O-N 3.43Å; V81-L85 VanDerWaalsContact O-N 3.12Å | ||
| 82 | R | 86.7 | Confident | 90.2 | Very high | 69 Ų | 69 | 43.6 Ų | 43.6 | 26% | 0.26 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.1 | -38 | -177.9 | -59.9 | -172.3 | -162.6 | 149 | 9 | 114.2 | E80 L85 G86 V256 H257 D260 | E80-R82 PolarHBondContact O-N 3.32Å; R82-L85 PolarHBondContact O-N 2.91Å; R82-G86 PolarHBondContact O-N 3.31Å; R82-V256 HydrophobicContact CG-CB 4.19Å; R82-V256 HydrophobicContact CG-CG1 3.81Å; R82-V256 PolarHBondContact NH2-O 3.2Å; R82-H257 PolarHBondContact NH1-ND1 3.47Å; R82-H257 VanDerWaalsContact NH1-ND1 3.16Å; R82-D260 IonicContact CZ-OD2 3.73Å; R82-D260 IonicContact NH2-OD2 3.78Å; R82-D260 PolarHBondContact NH2-OD2 3.49Å |
| 83 | C | 88.8 | Confident | 90.4 | Very high | 91 Ų | 91 | 45.5 Ų | 45.5 | 62% | 0.615 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 179.7 | -172.5 | 0 | 0 | 0 | 0 | 111.3 | V81 L85 G86 L87 | V81-C83 VanDerWaalsContact C-N 3.28Å; V81-C83 HydrophobicContact CG1-CB 4.35Å; V81-C83 PolarHBondContact O-N 2.91Å; C83-L85 PolarHBondContact O-N 3.43Å; C83-G86 PolarHBondContact O-N 2.99Å; C83-L87 WeakPolarHBondContact O-CG 3.42Å; C83-L87 PolarHBondContact O-N 2.91Å |
| 84 | L | 89.9 | Confident | 90.6 | Very high | 40 Ų | 40 | 50.8 Ų | 50.8 | 21% | 0.209 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 177.8 | -67.7 | 176.5 | 0 | 0 | 0 | 112 | L72 I75 V81 L87 Y88 | L72-L84 HydrophobicContact CD2-CD2 3.85Å; I75-L84 HydrophobicContact CB-CD1 4.1Å; I75-L84 HydrophobicContact CG2-CD1 3.35Å; V81-L84 HydrophobicContact CB-CB 4.3Å; V81-L84 HydrophobicContact CB-CD1 3.99Å; V81-L84 HydrophobicContact CB-CG 4.2Å; V81-L84 HydrophobicContact CG1-CB 4.33Å; V81-L84 HydrophobicContact CG1-CD1 4.12Å; V81-L84 HydrophobicContact CG1-CG 3.95Å; V81-L84 HydrophobicContact CG2-CD1 4.39Å; V81-L84 PolarHBondContact O-N 3.2Å; V81-L84 VanDerWaalsContact O-N 3.15Å; L84-L87 PolarHBondContact O-N 3.25Å; L84-Y88 WeakPolarHBondContact O-CB 3.45Å; L84-Y88 PolarHBondContact O-N 2.94Å |
| 85 | L | 88.8 | Confident | 90.8 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67 | -37.9 | 177.5 | -157.6 | 61.2 | 0 | 0 | 0 | 111.7 | L13 V81 R82 C83 F89 S249 L252 C253 | L13-L85 HydrophobicContact CD2-CD1 3.95Å; V81-L85 PolarHBondContact O-N 3.43Å; V81-L85 VanDerWaalsContact O-N 3.12Å; R82-L85 PolarHBondContact O-N 2.91Å; C83-L85 PolarHBondContact O-N 3.43Å; L85-F89 WeakPolarHBondContact O-CB 3.42Å; L85-F89 PolarHBondContact O-N 2.89Å; L85-S249 WeakPolarHBondContact CD2-O 3.22Å; L85-S249 VanDerWaalsContact CG-OG 3.32Å; L85-S249 WeakPolarHBondContact CG-OG 3.27Å; L85-S249 PolarHBondContact O-OG 2.76Å; L85-L252 HydrophobicContact CD1-CD2 4.38Å; L85-L252 HydrophobicContact CD2-CB 3.87Å; L85-L252 HydrophobicContact CD2-CD2 3.98Å; L85-L252 HydrophobicContact CD2-CG 3.89Å; L85-C253 HydrophobicContact CD2-CB 3.76Å; L85-C253 HydrophobicContact CG-CB 4.39Å |
| 86 | G | 90.3 | Very high | 91 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 34% | 0.34 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67 | -41.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | R82 C83 F89 A90 | R82-G86 PolarHBondContact O-N 3.31Å; C83-G86 PolarHBondContact O-N 2.99Å; G86-F89 PolarHBondContact O-N 3.45Å; G86-A90 WeakPolarHBondContact O-CB 3.27Å; G86-A90 PolarHBondContact O-N 3.25Å |
| 87 | L | 91.6 | Very high | 91.5 | Very high | 78 Ų | 78 | 56.7 Ų | 56.7 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 173.2 | -74.7 | 173.7 | 0 | 0 | 0 | 111.1 | C83 L84 F89 A90 F91 | C83-L87 WeakPolarHBondContact O-CG 3.42Å; C83-L87 PolarHBondContact O-N 2.91Å; L84-L87 PolarHBondContact O-N 3.25Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.22Å; L87-A90 PolarHBondContact O-N 3.14Å; L87-A90 VanDerWaalsContact O-N 3.17Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 2.82Å |
| 88 | Y | 92.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 59.4 Ų | 59.4 | 3% | 0.031 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -55.4 | -47.2 | 174.8 | 173.7 | -102.9 | 0 | 0 | 0 | 111.7 | L13 N17 M69 L84 F91 L92 | L13-Y88 HydrophobicContact CD1-CE1 4.47Å; N17-Y88 PolarHBondContact ND2-OH 3.01Å; N17-Y88 WeakPolarHBondContact OD1-CE2 3.39Å; N17-Y88 VanDerWaalsContact OD1-CZ 3.25Å; N17-Y88 PolarHBondContact OD1-OH 3.35Å; M69-Y88 HydrophobicContact CE-CD2 3.83Å; M69-Y88 HydrophobicContact CE-CE2 4.15Å; L84-Y88 WeakPolarHBondContact O-CB 3.45Å; L84-Y88 PolarHBondContact O-N 2.94Å; Y88-F91 PolarHBondContact O-N 3.45Å; Y88-L92 HydrophobicContact CD1-CD1 4.11Å; Y88-L92 HydrophobicContact CE1-CD1 3.46Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.46Å; Y88-L92 HydrophobicContact CE1-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD1 4.15Å; Y88-L92 HydrophobicContact CE2-CG 4.32Å; Y88-L92 WeakPolarHBondContact O-CG 3.19Å; Y88-L92 PolarHBondContact O-N 3.07Å |
| 89 | F | 93.8 | Very high | 92.1 | Very high | 58 Ų | 58 | 58.7 Ų | 58.7 | 25% | 0.254 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.8 | 172.8 | -90.9 | 0 | 0 | 0 | 112.4 | L85 G86 L87 F91 L92 L93 M246 I250 | L85-F89 WeakPolarHBondContact O-CB 3.42Å; L85-F89 PolarHBondContact O-N 2.89Å; G86-F89 PolarHBondContact O-N 3.45Å; L87-F89 VanDerWaalsContact C-N 3.32Å; L87-F89 PolarHBondContact O-N 3.22Å; F89-F91 VanDerWaalsContact C-N 3.33Å; F89-F91 PolarHBondContact O-N 3.02Å; F89-L92 PolarHBondContact O-N 2.69Å; F89-L93 HydrophobicContact CE1-CB 4.49Å; F89-L93 HydrophobicContact CE1-CD2 4.06Å; F89-L93 HydrophobicContact CZ-CD2 4.37Å; F89-L93 WeakPolarHBondContact O-CB 3.42Å; F89-L93 PolarHBondContact O-N 3.16Å; F89-M246 HydrophobicContact CD2-CB 3.73Å; F89-M246 HydrophobicContact CD2-CG 3.63Å; F89-M246 HydrophobicContact CD2-SD 4.15Å; F89-M246 HydrophobicContact CE2-CB 3.69Å; F89-M246 HydrophobicContact CE2-CG 3.72Å; F89-M246 HydrophobicContact CE2-SD 3.73Å; F89-M246 HydrophobicContact CZ-SD 4.26Å; F89-I250 HydrophobicContact CD2-CD1 3.77Å; F89-I250 HydrophobicContact CD2-CG1 3.74Å; F89-I250 HydrophobicContact CE2-CD1 3.22Å; F89-I250 HydrophobicContact CE2-CG1 3.77Å; F89-I250 HydrophobicContact CG-CG1 4.43Å; F89-I250 HydrophobicContact CZ-CD1 3.74Å; F89-I250 HydrophobicContact CZ-CG1 4.45Å |
| 90 | A | 94.4 | Very high | 92.6 | Very high | 43 Ų | 43 | 58.3 Ų | 58.3 | 36% | 0.355 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | G86 L87 L93 L94 | G86-A90 WeakPolarHBondContact O-CB 3.27Å; G86-A90 PolarHBondContact O-N 3.25Å; L87-A90 PolarHBondContact O-N 3.14Å; L87-A90 VanDerWaalsContact O-N 3.17Å; A90-L93 PolarHBondContact O-N 3.36Å; A90-L94 VanDerWaalsContact O-CG 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.46Å; A90-L94 PolarHBondContact O-N 3.4Å |
| 91 | F | 93.4 | Very high | 93.1 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | 175.5 | -79.9 | -65.9 | 0 | 0 | 0 | 112.4 | M69 L87 Y88 F89 L93 L94 I95 | M69-F91 HydrophobicContact CE-CB 3.38Å; M69-F91 HydrophobicContact CE-CG 4.35Å; M69-F91 HydrophobicContact SD-CB 3.47Å; M69-F91 WeakPolarHBondContact SD-CB 3.43Å; M69-F91 HydrophobicContact SD-CD2 3.97Å; M69-F91 HydrophobicContact SD-CG 3.8Å; L87-F91 WeakPolarHBondContact O-CD2 3.32Å; L87-F91 PolarHBondContact O-N 2.82Å; Y88-F91 PolarHBondContact O-N 3.45Å; F89-F91 VanDerWaalsContact C-N 3.33Å; F89-F91 PolarHBondContact O-N 3.02Å; F91-L93 VanDerWaalsContact C-N 3.27Å; F91-L93 PolarHBondContact O-N 3.19Å; F91-L94 PolarHBondContact O-N 3.05Å; F91-I95 VanDerWaalsContact O-CG1 3.29Å; F91-I95 WeakPolarHBondContact O-CG1 3.24Å; F91-I95 PolarHBondContact O-N 3.32Å |
| 92 | L | 93.8 | Very high | 93.3 | Very high | 16 Ų | 16 | 58.4 Ų | 58.4 | 8% | 0.084 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.3 | -40.2 | 174.9 | -71.2 | -175.7 | 0 | 0 | 0 | 112 | M69 Y88 F89 I95 L96 E242 M246 | M69-L92 HydrophobicContact CE-CD2 3.97Å; M69-L92 HydrophobicContact CE-CG 4.11Å; Y88-L92 HydrophobicContact CD1-CD1 4.11Å; Y88-L92 HydrophobicContact CE1-CD1 3.46Å; Y88-L92 VanDerWaalsContact CE1-CD1 3.46Å; Y88-L92 HydrophobicContact CE1-CG 4.33Å; Y88-L92 HydrophobicContact CE2-CD1 4.15Å; Y88-L92 HydrophobicContact CE2-CG 4.32Å; Y88-L92 WeakPolarHBondContact O-CG 3.19Å; Y88-L92 PolarHBondContact O-N 3.07Å; F89-L92 PolarHBondContact O-N 2.69Å; L92-I95 PolarHBondContact O-N 3.36Å; L92-L96 WeakPolarHBondContact O-CB 3.4Å; L92-L96 PolarHBondContact O-N 3.04Å; L92-E242 HydrophobicContact CD2-CG 4.32Å; L92-M246 HydrophobicContact CB-CG 3.67Å; L92-M246 HydrophobicContact CB-SD 4.21Å; L92-M246 HydrophobicContact CD1-CG 3.97Å |
| 93 | L | 95.8 | Very high | 93.7 | Very high | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.356 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -43 | 176.4 | -179.1 | 63.4 | 0 | 0 | 0 | 111.8 | F89 A90 F91 I95 L96 I97 M246 | F89-L93 HydrophobicContact CE1-CB 4.49Å; F89-L93 HydrophobicContact CE1-CD2 4.06Å; F89-L93 HydrophobicContact CZ-CD2 4.37Å; F89-L93 WeakPolarHBondContact O-CB 3.42Å; F89-L93 PolarHBondContact O-N 3.16Å; A90-L93 PolarHBondContact O-N 3.36Å; F91-L93 VanDerWaalsContact C-N 3.27Å; F91-L93 PolarHBondContact O-N 3.19Å; L93-I95 VanDerWaalsContact C-N 3.34Å; L93-L96 PolarHBondContact O-N 3.17Å; L93-I97 HydrophobicContact CD1-CD1 4.29Å; L93-I97 HydrophobicContact CG-CD1 4.06Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.13Å; L93-I97 PolarHBondContact O-N 2.82Å; L93-M246 HydrophobicContact CB-SD 3.92Å; L93-M246 HydrophobicContact CD1-SD 4.21Å |
| 94 | L | 95.8 | Very high | 93.9 | Very high | 112 Ų | 112 | 54.6 Ų | 54.6 | 59% | 0.586 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -41.3 | 176.3 | -72.5 | 173.8 | 0 | 0 | 0 | 111.7 | A90 F91 I97 A98 | A90-L94 VanDerWaalsContact O-CG 3.3Å; A90-L94 WeakPolarHBondContact O-CG 3.46Å; A90-L94 PolarHBondContact O-N 3.4Å; F91-L94 PolarHBondContact O-N 3.05Å; L94-I97 PolarHBondContact O-N 2.87Å; L94-A98 WeakPolarHBondContact O-CB 3.3Å; L94-A98 PolarHBondContact O-N 2.97Å |
| 95 | I | 94.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 57.3 Ų | 57.3 | 35% | 0.349 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.7 | -61.2 | 164.2 | 0 | 0 | 0 | 110.1 | F91 L92 L93 I97 A98 Q99 E242 | F91-I95 VanDerWaalsContact O-CG1 3.29Å; F91-I95 WeakPolarHBondContact O-CG1 3.24Å; F91-I95 PolarHBondContact O-N 3.32Å; L92-I95 PolarHBondContact O-N 3.36Å; L93-I95 VanDerWaalsContact C-N 3.34Å; I95-I97 VanDerWaalsContact C-N 3.35Å; I95-I97 PolarHBondContact O-N 3.45Å; I95-A98 CarbonylContact O-C 3.42Å; I95-A98 WeakPolarHBondContact O-CB 3.22Å; I95-A98 PolarHBondContact O-N 2.86Å; I95-A98 VanDerWaalsContact O-N 3.15Å; I95-Q99 WeakPolarHBondContact O-CB 3.37Å; I95-Q99 PolarHBondContact O-N 2.91Å; I95-E242 WeakPolarHBondContact CG2-OE1 3.33Å |
| 96 | L | 96.3 | Very high | 94.2 | Very high | 28 Ų | 28 | 61 Ų | 61 | 15% | 0.147 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 177.3 | -176.1 | 66.7 | 0 | 0 | 0 | 111.9 | L92 L93 Q99 V100 A239 E242 L243 M246 | L92-L96 WeakPolarHBondContact O-CB 3.4Å; L92-L96 PolarHBondContact O-N 3.04Å; L93-L96 PolarHBondContact O-N 3.17Å; L96-Q99 PolarHBondContact O-N 3.33Å; L96-V100 WeakPolarHBondContact O-CG2 3.4Å; L96-V100 PolarHBondContact O-N 3.25Å; L96-A239 HydrophobicContact CD1-CB 3.8Å; L96-E242 WeakPolarHBondContact CA-OE2 3.02Å; L96-E242 WeakPolarHBondContact CB-OE2 3.38Å; L96-E242 WeakPolarHBondContact CD1-OE2 3.26Å; L96-L243 HydrophobicContact CD2-CD2 3.87Å; L96-L243 HydrophobicContact CD2-CG 4.3Å; L96-M246 HydrophobicContact CB-CE 4.39Å; L96-M246 HydrophobicContact CD2-CE 3.57Å |
| 97 | I | 97.6 | Very high | 94.3 | Very high | 91 Ų | 91 | 68 Ų | 68 | 47% | 0.467 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 175.6 | -69.3 | 166.6 | 0 | 0 | 0 | 110.3 | L93 L94 I95 Q99 V100 T101 | L93-I97 HydrophobicContact CD1-CD1 4.29Å; L93-I97 HydrophobicContact CG-CD1 4.06Å; L93-I97 VanDerWaalsContact O-CG1 3.28Å; L93-I97 WeakPolarHBondContact O-CG1 3.13Å; L93-I97 PolarHBondContact O-N 2.82Å; L94-I97 PolarHBondContact O-N 2.87Å; I95-I97 VanDerWaalsContact C-N 3.35Å; I95-I97 PolarHBondContact O-N 3.45Å; I97-Q99 VanDerWaalsContact C-N 3.32Å; I97-Q99 PolarHBondContact O-N 3.43Å; I97-V100 PolarHBondContact O-N 2.98Å; I97-T101 VanDerWaalsContact O-CB 3.27Å; I97-T101 WeakPolarHBondContact O-CB 2.98Å; I97-T101 PolarHBondContact O-N 2.83Å; I97-T101 PolarHBondContact O-OG1 3.4Å |
| 98 | A | 96.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L94 I95 T101 A102 | L94-A98 WeakPolarHBondContact O-CB 3.3Å; L94-A98 PolarHBondContact O-N 2.97Å; I95-A98 CarbonylContact O-C 3.42Å; I95-A98 WeakPolarHBondContact O-CB 3.22Å; I95-A98 PolarHBondContact O-N 2.86Å; I95-A98 VanDerWaalsContact O-N 3.15Å; A98-T101 PolarHBondContact O-N 2.95Å; A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 3.38Å |
| 99 | Q | 94.9 | Very high | 94.4 | Very high | 50 Ų | 50 | 74.9 Ų | 74.9 | 23% | 0.234 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -64.8 | -48 | 178.5 | -172.6 | -177 | -14.8 | 0 | 0 | 111.9 | I95 L96 I97 T101 A102 G103 G235 | I95-Q99 WeakPolarHBondContact O-CB 3.37Å; I95-Q99 PolarHBondContact O-N 2.91Å; L96-Q99 PolarHBondContact O-N 3.33Å; I97-Q99 VanDerWaalsContact C-N 3.32Å; I97-Q99 PolarHBondContact O-N 3.43Å; Q99-T101 VanDerWaalsContact C-N 3.33Å; Q99-T101 PolarHBondContact O-N 3.44Å; Q99-A102 PolarHBondContact O-N 2.97Å; Q99-G103 PolarHBondContact O-N 3.48Å; Q99-G235 VanDerWaalsContact NE2-C 3.29Å; Q99-G235 PolarHBondContact NE2-O 3.14Å |
| 100 | V | 95.9 | Very high | 94.2 | Very high | 96 Ų | 96 | 74.1 Ų | 74.1 | 58% | 0.582 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 176.5 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | L96 I97 G103 A104 | L96-V100 WeakPolarHBondContact O-CG2 3.4Å; L96-V100 PolarHBondContact O-N 3.25Å; I97-V100 PolarHBondContact O-N 2.98Å; V100-G103 PolarHBondContact O-N 2.98Å; V100-A104 VanDerWaalsContact O-CB 3.3Å; V100-A104 WeakPolarHBondContact O-CB 3.37Å; V100-A104 PolarHBondContact O-N 2.93Å |
| 101 | T | 96 | Very high | 94 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 178.1 | -57 | 0 | 0 | 0 | 0 | 111.2 | I97 A98 Q99 A104 L105 | I97-T101 VanDerWaalsContact O-CB 3.27Å; I97-T101 WeakPolarHBondContact O-CB 2.98Å; I97-T101 PolarHBondContact O-N 2.83Å; I97-T101 PolarHBondContact O-OG1 3.4Å; A98-T101 PolarHBondContact O-N 2.95Å; Q99-T101 VanDerWaalsContact C-N 3.33Å; Q99-T101 PolarHBondContact O-N 3.44Å; T101-A104 PolarHBondContact O-N 3.05Å; T101-L105 HydrophobicContact CG2-CD1 4.02Å; T101-L105 HydrophobicContact CG2-CG 4.31Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 VanDerWaalsContact O-CG 3.29Å; T101-L105 WeakPolarHBondContact O-CG 3.29Å; T101-L105 PolarHBondContact O-N 2.87Å |
| 102 | A | 93.9 | Very high | 93.9 | Very high | 57 Ų | 57 | 76 Ų | 76 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A98 Q99 L105 F106 | A98-A102 WeakPolarHBondContact O-CB 3.4Å; A98-A102 PolarHBondContact O-N 3.38Å; Q99-A102 PolarHBondContact O-N 2.97Å; A102-L105 PolarHBondContact O-N 3.48Å; A102-F106 VanDerWaalsContact O-CB 3.24Å; A102-F106 WeakPolarHBondContact O-CB 3.46Å; A102-F106 PolarHBondContact O-N 2.81Å |
| 103 | G | 93.7 | Very high | 93.8 | Very high | 41 Ų | 41 | 78.6 Ų | 78.6 | 42% | 0.423 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q99 V100 F106 Y107 | Q99-G103 PolarHBondContact O-N 3.48Å; V100-G103 PolarHBondContact O-N 2.98Å; G103-F106 PolarHBondContact O-N 3.49Å; G103-Y107 WeakPolarHBondContact O-CB 3.36Å; G103-Y107 PolarHBondContact O-N 3.12Å |
| 104 | A | 94.4 | Very high | 93.5 | Very high | 40 Ų | 40 | 78.2 Ų | 78.2 | 33% | 0.331 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65 | -46.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | V100 T101 F106 Y107 F108 | V100-A104 VanDerWaalsContact O-CB 3.3Å; V100-A104 WeakPolarHBondContact O-CB 3.37Å; V100-A104 PolarHBondContact O-N 2.93Å; T101-A104 PolarHBondContact O-N 3.05Å; A104-F106 VanDerWaalsContact C-N 3.32Å; A104-F106 PolarHBondContact O-N 3.08Å; A104-Y107 PolarHBondContact O-N 3.35Å; A104-F108 HydrophobicContact CB-CD2 4.41Å; A104-F108 HydrophobicContact CB-CE2 4.5Å; A104-F108 WeakPolarHBondContact O-CD2 3.23Å; A104-F108 PolarHBondContact O-N 3.4Å |
| 105 | L | 93.3 | Very high | 93.4 | Very high | 97 Ų | 97 | 80.3 Ų | 80.3 | 51% | 0.508 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.9 | -42.9 | 176.7 | -73.7 | 177.1 | 0 | 0 | 0 | 111.3 | T101 A102 N109 | T101-L105 HydrophobicContact CG2-CD1 4.02Å; T101-L105 HydrophobicContact CG2-CG 4.31Å; T101-L105 WeakPolarHBondContact O-CB 3.38Å; T101-L105 VanDerWaalsContact O-CG 3.29Å; T101-L105 WeakPolarHBondContact O-CG 3.29Å; T101-L105 PolarHBondContact O-N 2.87Å; A102-L105 PolarHBondContact O-N 3.48Å; L105-N109 WeakPolarHBondContact CD2-ND2 3.26Å; L105-N109 WeakPolarHBondContact O-CA 3.29Å; L105-N109 WeakPolarHBondContact O-CB 3.47Å; L105-N109 PolarHBondContact O-N 3.29Å |
| 106 | F | 91.4 | Very high | 93.3 | Very high | 79 Ų | 79 | 82.2 Ų | 82.2 | 35% | 0.346 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 176 | -179 | -98.6 | 0 | 0 | 0 | 111.6 | A102 G103 A104 M110 L113 L224 | A102-F106 VanDerWaalsContact O-CB 3.24Å; A102-F106 WeakPolarHBondContact O-CB 3.46Å; A102-F106 PolarHBondContact O-N 2.81Å; G103-F106 PolarHBondContact O-N 3.49Å; A104-F106 VanDerWaalsContact C-N 3.32Å; A104-F106 PolarHBondContact O-N 3.08Å; F106-M110 HydrophobicContact CD1-CE 3.87Å; F106-M110 HydrophobicContact CD2-CE 3.83Å; F106-M110 HydrophobicContact CE1-CE 3.34Å; F106-M110 HydrophobicContact CE2-CE 3.29Å; F106-M110 HydrophobicContact CE2-SD 4.4Å; F106-M110 HydrophobicContact CG-CE 4.12Å; F106-M110 HydrophobicContact CZ-CE 3.06Å; F106-M110 WeakPolarHBondContact O-CA 3.44Å; F106-M110 VanDerWaalsContact O-CB 3.27Å; F106-M110 WeakPolarHBondContact O-CB 3.37Å; F106-M110 PolarHBondContact O-N 3.48Å; F106-M110 VanDerWaalsContact O-N 3.14Å; F106-L113 HydrophobicContact CD2-CD2 4.28Å; F106-L224 HydrophobicContact CE1-CD2 4.4Å; F106-L224 HydrophobicContact CZ-CD1 3.94Å; F106-L224 HydrophobicContact CZ-CD2 3.67Å; F106-L224 HydrophobicContact CZ-CG 4.43Å |
| 107 | Y | 90.8 | Very high | 93.1 | Very high | 179 Ų | 179 | 85 Ų | 85 | 70% | 0.702 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -66 | -51.8 | 179.8 | -178.8 | -99.6 | 0 | 0 | 0 | 112.6 | G103 A104 | G103-Y107 WeakPolarHBondContact O-CB 3.36Å; G103-Y107 PolarHBondContact O-N 3.12Å; A104-Y107 PolarHBondContact O-N 3.35Å |
| 108 | F | 93.7 | Very high | 93 | Very high | 160 Ų | 160 | 81 Ų | 81 | 70% | 0.702 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -76.4 | -35.4 | -175.3 | -70.6 | -63.8 | 0 | 0 | 0 | 113.4 | A104 | A104-F108 HydrophobicContact CB-CD2 4.41Å; A104-F108 HydrophobicContact CB-CE2 4.5Å; A104-F108 WeakPolarHBondContact O-CD2 3.23Å; A104-F108 PolarHBondContact O-N 3.4Å |
| 109 | N | 92.9 | Very high | 92.9 | Very high | 71 Ų | 71 | 80.2 Ų | 80.2 | 38% | 0.38 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -106.9 | 16.1 | -173.5 | -58.1 | -53.4 | 0 | 0 | 0 | 113.3 | L105 G111 K112 L113 | L105-N109 WeakPolarHBondContact CD2-ND2 3.26Å; L105-N109 WeakPolarHBondContact O-CA 3.29Å; L105-N109 WeakPolarHBondContact O-CB 3.47Å; L105-N109 PolarHBondContact O-N 3.29Å; N109-G111 PolarHBondContact O-N 3.26Å; N109-K112 HydrophobicContact CB-CB 4.4Å; N109-K112 PolarHBondContact O-N 2.99Å; N109-L113 WeakPolarHBondContact O-CB 3.38Å; N109-L113 PolarHBondContact O-N 2.88Å |
| 110 | M | 89 | Confident | 92.8 | Very high | 41 Ų | 41 | 82.8 Ų | 82.8 | 20% | 0.202 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -49.7 | -44.1 | 178 | 177.9 | 58.1 | 79.1 | 0 | 0 | 112.3 | F106 L113 K114 L224 | F106-M110 HydrophobicContact CD1-CE 3.87Å; F106-M110 HydrophobicContact CD2-CE 3.83Å; F106-M110 HydrophobicContact CE1-CE 3.34Å; F106-M110 HydrophobicContact CE2-CE 3.29Å; F106-M110 HydrophobicContact CE2-SD 4.4Å; F106-M110 HydrophobicContact CG-CE 4.12Å; F106-M110 HydrophobicContact CZ-CE 3.06Å; F106-M110 WeakPolarHBondContact O-CA 3.44Å; F106-M110 VanDerWaalsContact O-CB 3.27Å; F106-M110 WeakPolarHBondContact O-CB 3.37Å; F106-M110 PolarHBondContact O-N 3.48Å; F106-M110 VanDerWaalsContact O-N 3.14Å; M110-L113 PolarHBondContact O-N 3.27Å; M110-K114 HydrophobicContact CG-CD 4.46Å; M110-K114 VanDerWaalsContact O-CG 3.31Å; M110-K114 WeakPolarHBondContact O-CG 3.32Å; M110-K114 PolarHBondContact O-N 3.4Å; M110-K114 HydrophobicContact SD-CG 4.35Å; M110-L224 HydrophobicContact CE-CD2 3.59Å |
| 111 | G | 90.7 | Very high | 92.7 | Very high | 52 Ų | 52 | 78.9 Ų | 78.9 | 54% | 0.536 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N109 K114 Q115 | N109-G111 PolarHBondContact O-N 3.26Å; G111-K114 PolarHBondContact O-N 2.87Å; G111-Q115 PolarHBondContact O-N 3Å |
| 112 | K | 92.6 | Very high | 92.7 | Very high | 126 Ų | 126 | 77.6 Ų | 77.6 | 55% | 0.548 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -64.8 | -43.4 | 176.6 | -173.5 | 177.4 | -179.6 | -178.4 | 0 | 111.3 | N109 K114 Q115 E116 | N109-K112 HydrophobicContact CB-CB 4.4Å; N109-K112 PolarHBondContact O-N 2.99Å; K112-K114 VanDerWaalsContact C-N 3.31Å; K112-K114 PolarHBondContact O-N 3.38Å; K112-Q115 PolarHBondContact O-N 3.39Å; K112-Q115 VanDerWaalsContact O-N 3.07Å; K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 HydrophobicContact CG-CG 4.15Å; K112-E116 VanDerWaalsContact O-CG 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 3.46Å |
| 113 | L | 90.1 | Very high | 92.7 | Very high | 70 Ų | 70 | 80.6 Ų | 80.6 | 37% | 0.366 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 177.4 | -172.9 | 68.3 | 0 | 0 | 0 | 111.2 | F106 N109 M110 Q115 E116 M117 | F106-L113 HydrophobicContact CD2-CD2 4.28Å; N109-L113 WeakPolarHBondContact O-CB 3.38Å; N109-L113 PolarHBondContact O-N 2.88Å; M110-L113 PolarHBondContact O-N 3.27Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 2.92Å; L113-E116 PolarHBondContact O-N 3.21Å; L113-M117 HydrophobicContact CD1-CE 3.79Å; L113-M117 HydrophobicContact CD1-CG 4.36Å; L113-M117 HydrophobicContact CG-CE 4.45Å; L113-M117 HydrophobicContact CG-CG 4.32Å; L113-M117 VanDerWaalsContact O-CB 3.28Å; L113-M117 WeakPolarHBondContact O-CB 3.31Å; L113-M117 WeakPolarHBondContact O-CG 3.31Å; L113-M117 PolarHBondContact O-N 3.07Å |
| 114 | K | 90.5 | Very high | 92.7 | Very high | 60 Ų | 60 | 80.1 Ų | 80.1 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 174.5 | -73.3 | 174.2 | -176.1 | -178.6 | 0 | 112.3 | M110 G111 K112 G118 W152 Q221 | M110-K114 HydrophobicContact CG-CD 4.46Å; M110-K114 VanDerWaalsContact O-CG 3.31Å; M110-K114 WeakPolarHBondContact O-CG 3.32Å; M110-K114 PolarHBondContact O-N 3.4Å; M110-K114 HydrophobicContact SD-CG 4.35Å; G111-K114 PolarHBondContact O-N 2.87Å; K112-K114 VanDerWaalsContact C-N 3.31Å; K112-K114 PolarHBondContact O-N 3.38Å; K114-G118 PolarHBondContact O-N 2.73Å; K114-W152 WeakPolarHBondContact O-CZ2 3.46Å; K114-Q221 VanDerWaalsContact NZ-CD 3.3Å |
| 115 | Q | 92.8 | Very high | 92.7 | Very high | 155 Ų | 155 | 78.2 Ų | 78.2 | 72% | 0.724 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -70.4 | -46.5 | 180 | -172.9 | 172.4 | 6.3 | 0 | 0 | 112.3 | G111 K112 L113 G118 G119 | G111-Q115 PolarHBondContact O-N 3Å; K112-Q115 PolarHBondContact O-N 3.39Å; K112-Q115 VanDerWaalsContact O-N 3.07Å; L113-Q115 VanDerWaalsContact C-N 3.29Å; L113-Q115 PolarHBondContact O-N 2.92Å; Q115-G118 PolarHBondContact O-N 2.96Å; Q115-G119 PolarHBondContact O-N 2.94Å |
| 116 | E | 93.2 | Very high | 92.8 | Very high | 109 Ų | 109 | 81 Ų | 81 | 51% | 0.509 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.7 | -45.8 | 177.1 | -65.8 | -76.6 | -179.7 | 0 | 0 | 111 | K112 L113 G118 G119 I120 | K112-E116 WeakPolarHBondContact CE-OE1 3.46Å; K112-E116 HydrophobicContact CG-CG 4.15Å; K112-E116 VanDerWaalsContact O-CG 3.31Å; K112-E116 WeakPolarHBondContact O-CG 3.48Å; K112-E116 PolarHBondContact O-N 3.46Å; L113-E116 PolarHBondContact O-N 3.21Å; E116-G118 VanDerWaalsContact C-N 3.3Å; E116-G118 PolarHBondContact O-N 3.43Å; E116-G119 PolarHBondContact O-N 3.34Å; E116-G119 VanDerWaalsContact O-N 3.13Å; E116-I120 WeakPolarHBondContact O-CG1 3.46Å; E116-I120 PolarHBondContact O-N 3.42Å |
| 117 | M | 91.8 | Very high | 92.8 | Very high | 85 Ų | 85 | 81.6 Ų | 81.6 | 42% | 0.419 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 175.4 | -69.4 | -67.4 | 178 | 0 | 0 | 111.6 | L113 G119 I120 V121 W152 | L113-M117 HydrophobicContact CD1-CE 3.79Å; L113-M117 HydrophobicContact CD1-CG 4.36Å; L113-M117 HydrophobicContact CG-CE 4.45Å; L113-M117 HydrophobicContact CG-CG 4.32Å; L113-M117 VanDerWaalsContact O-CB 3.28Å; L113-M117 WeakPolarHBondContact O-CB 3.31Å; L113-M117 WeakPolarHBondContact O-CG 3.31Å; L113-M117 PolarHBondContact O-N 3.07Å; M117-G119 VanDerWaalsContact C-N 3.32Å; M117-G119 PolarHBondContact O-N 2.86Å; M117-I120 PolarHBondContact O-N 2.93Å; M117-V121 WeakPolarHBondContact O-CB 3.42Å; M117-V121 VanDerWaalsContact O-CG2 3.29Å; M117-V121 WeakPolarHBondContact O-CG2 3.31Å; M117-V121 PolarHBondContact O-N 3.43Å; M117-W152 HydrophobicContact CB-CH2 3.75Å; M117-W152 HydrophobicContact CB-CZ2 3.97Å |
| 118 | G | 94.3 | Very high | 92.9 | Very high | 7 Ų | 7 | 73.4 Ų | 73.4 | 7% | 0.072 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | K114 Q115 E116 M122 W152 | K114-G118 PolarHBondContact O-N 2.73Å; Q115-G118 PolarHBondContact O-N 2.96Å; E116-G118 VanDerWaalsContact C-N 3.3Å; E116-G118 PolarHBondContact O-N 3.43Å; G118-M122 VanDerWaalsContact O-CB 3.27Å; G118-M122 WeakPolarHBondContact O-CB 3.38Å; G118-M122 WeakPolarHBondContact O-CG 3.35Å; G118-M122 PolarHBondContact O-N 3.36Å; G118-W152 VanDerWaalsContact CA-CD1 3.48Å; G118-W152 VanDerWaalsContact CA-CE2 3.42Å |
| 119 | G | 94.6 | Very high | 92.7 | Very high | 42 Ų | 42 | 68.4 Ų | 68.4 | 43% | 0.433 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.7 | -49 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q115 E116 M117 V121 M122 E123 | Q115-G119 PolarHBondContact O-N 2.94Å; E116-G119 PolarHBondContact O-N 3.34Å; E116-G119 VanDerWaalsContact O-N 3.13Å; M117-G119 VanDerWaalsContact C-N 3.32Å; M117-G119 PolarHBondContact O-N 2.86Å; G119-V121 PolarHBondContact O-N 3.45Å; G119-M122 PolarHBondContact O-N 2.91Å; G119-E123 WeakPolarHBondContact O-CB 3.11Å; G119-E123 PolarHBondContact O-N 3.48Å |
| 120 | I | 93.4 | Very high | 92.2 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 53% | 0.533 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 178.7 | -65 | 166.7 | 0 | 0 | 0 | 110.9 | E116 M117 E123 L124 | E116-I120 WeakPolarHBondContact O-CG1 3.46Å; E116-I120 PolarHBondContact O-N 3.42Å; M117-I120 PolarHBondContact O-N 2.93Å; I120-E123 PolarHBondContact O-N 3.25Å; I120-L124 WeakPolarHBondContact O-CB 3.28Å; I120-L124 PolarHBondContact O-N 2.9Å |
| 121 | V | 94.6 | Very high | 91.9 | Very high | 14 Ų | 14 | 70.1 Ų | 70.1 | 9% | 0.085 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.7 | -41.4 | -179.9 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | M117 G119 E123 L124 I125 W140 W152 | M117-V121 WeakPolarHBondContact O-CB 3.42Å; M117-V121 VanDerWaalsContact O-CG2 3.29Å; M117-V121 WeakPolarHBondContact O-CG2 3.31Å; M117-V121 PolarHBondContact O-N 3.43Å; G119-V121 PolarHBondContact O-N 3.45Å; V121-E123 VanDerWaalsContact C-N 3.34Å; V121-L124 WeakPolarHBondContact O-CB 3.32Å; V121-L124 PolarHBondContact O-N 2.94Å; V121-I125 HydrophobicContact CG1-CD1 3.89Å; V121-I125 HydrophobicContact CG1-CG1 4.4Å; V121-I125 VanDerWaalsContact O-CG1 3.31Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.45Å; V121-W140 HydrophobicContact CB-CH2 4.36Å; V121-W140 HydrophobicContact CB-CZ3 4.4Å; V121-W140 HydrophobicContact CG1-CD2 4.15Å; V121-W140 HydrophobicContact CG1-CE3 4.11Å; V121-W140 HydrophobicContact CG1-CH2 3.3Å; V121-W140 HydrophobicContact CG1-CZ2 3.29Å; V121-W140 HydrophobicContact CG1-CZ3 3.71Å; V121-W140 HydrophobicContact CG2-CE3 4.09Å; V121-W140 HydrophobicContact CG2-CH2 4.11Å; V121-W140 HydrophobicContact CG2-CZ3 3.7Å; V121-W152 HydrophobicContact CB-CB 4.42Å; V121-W152 HydrophobicContact CB-CD2 4.38Å; V121-W152 HydrophobicContact CB-CE3 4.07Å; V121-W152 HydrophobicContact CG1-CB 3.84Å; V121-W152 HydrophobicContact CG1-CD2 4.47Å; V121-W152 HydrophobicContact CG1-CE3 4.08Å; V121-W152 HydrophobicContact CG1-CG 4.42Å; V121-W152 HydrophobicContact CG2-CE3 3.83Å; V121-W152 HydrophobicContact CG2-CZ3 4.1Å |
| 122 | M | 95 | Very high | 91.5 | Very high | 41 Ų | 41 | 73.5 Ų | 73.5 | 20% | 0.202 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64.4 | -39.7 | 176.5 | -75.8 | -58.2 | -63 | 0 | 0 | 111.9 | G118 G119 I125 R126 N157 D160 | G118-M122 VanDerWaalsContact O-CB 3.27Å; G118-M122 WeakPolarHBondContact O-CB 3.38Å; G118-M122 WeakPolarHBondContact O-CG 3.35Å; G118-M122 PolarHBondContact O-N 3.36Å; G119-M122 PolarHBondContact O-N 2.91Å; M122-I125 PolarHBondContact O-N 3.27Å; M122-I125 HydrophobicContact SD-CD1 4.46Å; M122-R126 WeakPolarHBondContact O-CB 3.48Å; M122-R126 PolarHBondContact O-N 3.42Å; M122-N157 HydrophobicContact CE-CB 4Å; M122-N157 HydrophobicContact SD-CB 3.52Å; M122-N157 VanDerWaalsContact SD-CB 3.52Å; M122-N157 PolarHBondContact SD-ND2 2.85Å; M122-D160 HydrophobicContact CE-CB 4.32Å; M122-D160 WeakPolarHBondContact CE-OD2 3.45Å |
| 123 | E | 94.6 | Very high | 90.7 | Very high | 119 Ų | 119 | 76.8 Ų | 76.8 | 56% | 0.556 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 174.4 | -174.9 | 168.6 | -155.5 | 0 | 0 | 111.6 | G119 I120 V121 R126 D127 | G119-E123 WeakPolarHBondContact O-CB 3.11Å; G119-E123 PolarHBondContact O-N 3.48Å; I120-E123 PolarHBondContact O-N 3.25Å; V121-E123 VanDerWaalsContact C-N 3.34Å; E123-R126 PolarHBondContact O-N 2.91Å; E123-D127 PolarHBondContact O-N 3.34Å |
| 124 | L | 93.5 | Very high | 90.3 | Very high | 31 Ų | 31 | 74.7 Ų | 74.7 | 16% | 0.162 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 174.2 | -179.1 | 67.4 | 0 | 0 | 0 | 111.9 | I120 V121 R126 D127 Y128 L136 Q137 W140 | I120-L124 WeakPolarHBondContact O-CB 3.28Å; I120-L124 PolarHBondContact O-N 2.9Å; V121-L124 WeakPolarHBondContact O-CB 3.32Å; V121-L124 PolarHBondContact O-N 2.94Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.86Å; L124-D127 PolarHBondContact O-N 3.33Å; L124-Y128 WeakPolarHBondContact O-CA 3.4Å; L124-Y128 WeakPolarHBondContact O-CB 3.43Å; L124-Y128 PolarHBondContact O-N 2.86Å; L124-L136 HydrophobicContact CD1-CB 3.97Å; L124-Q137 HydrophobicContact CD1-CG 3.8Å; L124-W140 HydrophobicContact CD2-CB 3.5Å; L124-W140 HydrophobicContact CD2-CD2 4.44Å; L124-W140 HydrophobicContact CD2-CG 3.79Å |
| 125 | I | 94.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 74.6 Ų | 74.6 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -62 | -41.4 | 176.2 | -72.7 | 169.3 | 0 | 0 | 0 | 110.2 | V121 M122 Y128 W140 N157 W158 N161 | V121-I125 HydrophobicContact CG1-CD1 3.89Å; V121-I125 HydrophobicContact CG1-CG1 4.4Å; V121-I125 VanDerWaalsContact O-CG1 3.31Å; V121-I125 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 PolarHBondContact O-N 3.45Å; M122-I125 PolarHBondContact O-N 3.27Å; M122-I125 HydrophobicContact SD-CD1 4.46Å; I125-Y128 VanDerWaalsContact O-CB 3.32Å; I125-Y128 WeakPolarHBondContact O-CB 3.38Å; I125-Y128 PolarHBondContact O-N 3.39Å; I125-W140 HydrophobicContact CD1-CZ2 4.2Å; I125-N157 HydrophobicContact CD1-CB 4.25Å; I125-N157 WeakPolarHBondContact CG2-O 3.45Å; I125-W158 HydrophobicContact CG1-CH2 4.32Å; I125-W158 HydrophobicContact CG1-CZ2 4.14Å; I125-W158 HydrophobicContact CG2-CD2 3.86Å; I125-W158 HydrophobicContact CG2-CE3 3.69Å; I125-W158 HydrophobicContact CG2-CG 4.36Å; I125-W158 HydrophobicContact CG2-CZ3 4.13Å; I125-N161 WeakPolarHBondContact O-CB 3.4Å; I125-N161 PolarHBondContact O-ND2 3.25Å |
| 126 | R | 94.2 | Very high | 89.5 | Confident | 156 Ų | 156 | 71.7 Ų | 71.7 | 59% | 0.589 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -66.7 | -38.8 | 180 | -170.6 | 179.5 | 66.4 | 129 | 1.2 | 113.1 | M122 E123 L124 | M122-R126 WeakPolarHBondContact O-CB 3.48Å; M122-R126 PolarHBondContact O-N 3.42Å; E123-R126 PolarHBondContact O-N 2.91Å; L124-R126 VanDerWaalsContact C-N 3.31Å; L124-R126 PolarHBondContact O-N 2.86Å |
| 127 | D | 92.8 | Very high | 89.3 | Confident | 92 Ų | 92 | 66.8 Ų | 66.8 | 49% | 0.492 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89 | 0.5 | 176.8 | -164.4 | 53.6 | 0 | 0 | 0 | 113.2 | E123 L124 N129 R132 Q137 | E123-D127 PolarHBondContact O-N 3.34Å; L124-D127 PolarHBondContact O-N 3.33Å; D127-N129 PolarHBondContact O-N 3.3Å; D127-R132 IonicContact OD2-CZ 2.72Å; D127-R132 IonicContact OD2-NH1 3.93Å; D127-R132 PolarHBondContact OD2-NH1 3.34Å; D127-Q137 PolarHBondContact O-NE2 3.23Å |
| 128 | Y | 92.2 | Very high | 88.9 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 3% | 0.027 | 33% | 0.333 | C | S | . | . | trans | -60.9 | 128.5 | -177.5 | -172.5 | -76.9 | 0 | 0 | 0 | 110.2 | L124 I125 Q137 D141 W158 N161 G191 F192 | L124-Y128 WeakPolarHBondContact O-CA 3.4Å; L124-Y128 WeakPolarHBondContact O-CB 3.43Å; L124-Y128 PolarHBondContact O-N 2.86Å; I125-Y128 VanDerWaalsContact O-CB 3.32Å; I125-Y128 WeakPolarHBondContact O-CB 3.38Å; I125-Y128 PolarHBondContact O-N 3.39Å; Y128-Q137 HydrophobicContact CD2-CB 3.86Å; Y128-Q137 HydrophobicContact CD2-CG 3.7Å; Y128-Q137 HydrophobicContact CE2-CB 3.7Å; Y128-Q137 HydrophobicContact CE2-CG 4.08Å; Y128-Q137 HydrophobicContact CG-CG 4.39Å; Y128-D141 PolarHBondContact OH-OD1 3.06Å; Y128-D141 PolarHBondContact OH-OD2 3.4Å; Y128-W158 HydrophobicContact CD1-CH2 4.38Å; Y128-W158 HydrophobicContact CD1-CZ3 4.06Å; Y128-W158 AromaticContact CD2-CH2 3.86Å; Y128-W158 HydrophobicContact CD2-CH2 3.86Å; Y128-W158 HydrophobicContact CD2-CZ3 4.22Å; Y128-W158 HydrophobicContact CE2-CH2 4.18Å; Y128-W158 AromaticContact CG-CH2 3.97Å; Y128-W158 HydrophobicContact CG-CH2 3.97Å; Y128-W158 AromaticContact CG-CZ3 3.84Å; Y128-W158 HydrophobicContact CG-CZ3 3.84Å; Y128-N161 PolarHBondContact O-ND2 3.43Å; Y128-G191 VanDerWaalsContact OH-CA 3.27Å; Y128-G191 WeakPolarHBondContact OH-CA 3.43Å; Y128-G191 PolarHBondContact OH-N 3.26Å; Y128-G191 VanDerWaalsContact OH-N 3.08Å; Y128-F192 AromaticContact CD1-CE1 3.72Å; Y128-F192 HydrophobicContact CD1-CE1 3.72Å; Y128-F192 HydrophobicContact CD1-CE2 4.38Å; Y128-F192 AromaticContact CD1-CZ 3.52Å; Y128-F192 HydrophobicContact CD1-CZ 3.52Å; Y128-F192 HydrophobicContact CE1-CD1 4.41Å; Y128-F192 AromaticContact CE1-CE1 3.78Å; Y128-F192 HydrophobicContact CE1-CE1 3.78Å; Y128-F192 AromaticContact CE1-CZ 3.88Å; Y128-F192 HydrophobicContact CE1-CZ 3.88Å | ||
| 129 | N | 89.8 | Confident | 88.5 | Confident | 55 Ų | 55 | 65 Ų | 65 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -139.4 | 119.5 | -176.4 | -177 | -42.5 | 0 | 0 | 0 | 110.4 | D127 S131 R132 Q137 E163 | D127-N129 PolarHBondContact O-N 3.3Å; N129-S131 PolarHBondContact O-N 2.88Å; N129-S131 WeakPolarHBondContact OD1-CA 3.44Å; N129-S131 VanDerWaalsContact OD1-CB 3.3Å; N129-S131 WeakPolarHBondContact OD1-CB 3.26Å; N129-S131 PolarHBondContact OD1-N 3.38Å; N129-R132 HydrophobicContact CB-CB 4.03Å; N129-R132 PolarHBondContact O-N 2.98Å; N129-Q137 PolarHBondContact O-OE1 2.99Å; N129-Q137 VanDerWaalsContact O-OE1 3.13Å; N129-E163 WeakPolarHBondContact CA-OE2 3.49Å; N129-E163 WeakPolarHBondContact CB-OE2 3.44Å; N129-E163 PolarHBondContact ND2-OE2 3.5Å; N129-E163 PolarHBondContact OD1-OE2 3.08Å | ||
| 130 | S | 83.1 | Confident | 88.3 | Confident | 44 Ų | 44 | 63.7 Ų | 63.7 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -21.2 | -175.9 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | E163 R167 | S130-E163 PolarHBondContact N-OE1 2.89Å; S130-E163 PolarHBondContact OG-OE1 2.98Å; S130-R167 PolarHBondContact OG-NH2 3.18Å |
| 131 | S | 82.2 | Confident | 88 | Confident | 104 Ų | 104 | 58.8 Ų | 58.8 | 73% | 0.727 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -11.7 | -178.7 | -51.8 | 0 | 0 | 0 | 0 | 113.2 | N129 | N129-S131 PolarHBondContact O-N 2.88Å; N129-S131 WeakPolarHBondContact OD1-CA 3.44Å; N129-S131 VanDerWaalsContact OD1-CB 3.3Å; N129-S131 WeakPolarHBondContact OD1-CB 3.26Å; N129-S131 PolarHBondContact OD1-N 3.38Å |
| 132 | R | 81.4 | Confident | 87.6 | Confident | 123 Ų | 123 | 61.9 Ų | 61.9 | 46% | 0.464 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -95.3 | 121.5 | -177.4 | -175.9 | 174.4 | 166.7 | -168 | -14.7 | 109.9 | D127 N129 D134 | D127-R132 IonicContact OD2-CZ 2.72Å; D127-R132 IonicContact OD2-NH1 3.93Å; D127-R132 PolarHBondContact OD2-NH1 3.34Å; N129-R132 HydrophobicContact CB-CB 4.03Å; N129-R132 PolarHBondContact O-N 2.98Å; R132-D134 HydrophobicContact CG-CB 4.41Å; R132-D134 IonicContact CZ-OD2 2.89Å; R132-D134 IonicContact NE-OD2 2.9Å; R132-D134 IonicContact NH2-OD2 3.6Å; R132-D134 PolarHBondContact NH2-OD2 2.93Å; R132-D134 PolarHBondContact O-N 3.45Å; R132-D134 VanDerWaalsContact O-N 3.07Å |
| 133 | E | 76.4 | Confident | 87.3 | Confident | 195 Ų | 195 | 62 Ų | 62 | 91% | 0.911 | 31% | 0.312 | S | S | * | . | trans | -75.2 | 97 | 168.7 | -70.2 | -169.1 | 169 | 0 | 0 | 109.8 | ||||
| 134 | D | 82.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 56.4 Ų | 56.4 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | trans | -122.3 | 124.4 | 175 | -161.9 | -46.8 | 0 | 0 | 0 | 110.9 | R132 L136 Q137 D138 | R132-D134 HydrophobicContact CG-CB 4.41Å; R132-D134 IonicContact CZ-OD2 2.89Å; R132-D134 IonicContact NE-OD2 2.9Å; R132-D134 IonicContact NH2-OD2 3.6Å; R132-D134 PolarHBondContact NH2-OD2 2.93Å; R132-D134 PolarHBondContact O-N 3.45Å; R132-D134 VanDerWaalsContact O-N 3.07Å; D134-L136 PolarHBondContact O-N 3.27Å; D134-L136 WeakPolarHBondContact OD1-CB 3.26Å; D134-L136 PolarHBondContact OD1-N 3.48Å; D134-Q137 HydrophobicContact CB-CB 4.16Å; D134-Q137 HydrophobicContact CB-CG 3.88Å; D134-Q137 PolarHBondContact O-N 2.95Å; D134-D138 PolarHBondContact O-N 3.2Å | ||
| 135 | S | 81.2 | Confident | 86.8 | Confident | 59 Ų | 59 | 56.3 Ų | 56.3 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.4 | -27.6 | 179.2 | 56.5 | 0 | 0 | 0 | 0 | 113.8 | T139 | S135-T139 WeakPolarHBondContact O-CB 3.39Å; S135-T139 PolarHBondContact O-N 2.96Å; S135-T139 PolarHBondContact O-OG1 3.03Å |
| 136 | L | 84.4 | Confident | 86.4 | Confident | 94 Ų | 94 | 61.4 Ų | 61.4 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -74 | -40.1 | 177.1 | -66.8 | 174.5 | 0 | 0 | 0 | 111.1 | L124 D134 T139 W140 | L124-L136 HydrophobicContact CD1-CB 3.97Å; D134-L136 PolarHBondContact O-N 3.27Å; D134-L136 WeakPolarHBondContact OD1-CB 3.26Å; D134-L136 PolarHBondContact OD1-N 3.48Å; L136-T139 PolarHBondContact O-N 3.45Å; L136-W140 WeakPolarHBondContact O-CB 3.49Å; L136-W140 PolarHBondContact O-N 2.91Å |
| 137 | Q | 88.8 | Confident | 86.1 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 2% | 0.023 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 174.4 | -66.8 | -178 | 21.7 | 0 | 0 | 110.7 | L124 D127 Y128 N129 D134 T139 W140 D141 | L124-Q137 HydrophobicContact CD1-CG 3.8Å; D127-Q137 PolarHBondContact O-NE2 3.23Å; Y128-Q137 HydrophobicContact CD2-CB 3.86Å; Y128-Q137 HydrophobicContact CD2-CG 3.7Å; Y128-Q137 HydrophobicContact CE2-CB 3.7Å; Y128-Q137 HydrophobicContact CE2-CG 4.08Å; Y128-Q137 HydrophobicContact CG-CG 4.39Å; N129-Q137 PolarHBondContact O-OE1 2.99Å; N129-Q137 VanDerWaalsContact O-OE1 3.13Å; D134-Q137 HydrophobicContact CB-CB 4.16Å; D134-Q137 HydrophobicContact CB-CG 3.88Å; D134-Q137 PolarHBondContact O-N 2.95Å; Q137-T139 VanDerWaalsContact C-N 3.28Å; Q137-T139 PolarHBondContact O-N 3.13Å; Q137-W140 PolarHBondContact O-N 3.44Å; Q137-W140 VanDerWaalsContact O-N 3.16Å; Q137-D141 PolarHBondContact O-N 3.25Å |
| 138 | D | 84.1 | Confident | 86 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -60.9 | -36.3 | 175.4 | -79.9 | -17.3 | 0 | 0 | 0 | 113.3 | S50 S51 D134 Y142 K190 | S50-D138 WeakPolarHBondContact CB-OD2 3.27Å; S50-D138 PolarHBondContact OG-OD2 2.93Å; S51-D138 VanDerWaalsContact OG-C 3.28Å; S51-D138 PolarHBondContact OG-O 3.42Å; S51-D138 VanDerWaalsContact OG-O 3.05Å; D134-D138 PolarHBondContact O-N 3.2Å; D138-Y142 WeakPolarHBondContact O-CB 3.46Å; D138-Y142 PolarHBondContact O-N 2.87Å; D138-Y142 VanDerWaalsContact O-N 3.11Å; D138-K190 WeakPolarHBondContact OD1-CD 3.33Å; D138-K190 WeakPolarHBondContact OD1-CE 3.44Å; D138-K190 IonicContact OD1-NZ 2.8Å; D138-K190 PolarHBondContact OD1-NZ 2.83Å; D138-K190 IonicContact OD2-NZ 3.83Å; D138-K190 PolarHBondContact OD2-NZ 2.89Å |
| 139 | T | 84.9 | Confident | 86.1 | Confident | 40 Ų | 40 | 57.4 Ų | 57.4 | 25% | 0.245 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -71.1 | -40 | 176.8 | -60 | 0 | 0 | 0 | 0 | 110.5 | S51 S135 L136 Q137 Y142 V143 | S51-T139 WeakPolarHBondContact OG-CA 3.37Å; S51-T139 PolarHBondContact OG-N 3.39Å; S135-T139 WeakPolarHBondContact O-CB 3.39Å; S135-T139 PolarHBondContact O-N 2.96Å; S135-T139 PolarHBondContact O-OG1 3.03Å; L136-T139 PolarHBondContact O-N 3.45Å; Q137-T139 VanDerWaalsContact C-N 3.28Å; Q137-T139 PolarHBondContact O-N 3.13Å; T139-Y142 WeakPolarHBondContact O-CB 3.36Å; T139-Y142 PolarHBondContact O-N 3.33Å; T139-V143 WeakPolarHBondContact O-CG2 3.26Å; T139-V143 PolarHBondContact O-N 2.75Å |
| 140 | W | 90.1 | Very high | 86.3 | Confident | 16 Ų | 16 | 54.8 Ų | 54.8 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -45.1 | 177.1 | -176.9 | -115.2 | 0 | 0 | 0 | 112.2 | V121 L124 I125 L136 Q137 Y142 V143 Q144 W152 W158 C216 | V121-W140 HydrophobicContact CB-CH2 4.36Å; V121-W140 HydrophobicContact CB-CZ3 4.4Å; V121-W140 HydrophobicContact CG1-CD2 4.15Å; V121-W140 HydrophobicContact CG1-CE3 4.11Å; V121-W140 HydrophobicContact CG1-CH2 3.3Å; V121-W140 HydrophobicContact CG1-CZ2 3.29Å; V121-W140 HydrophobicContact CG1-CZ3 3.71Å; V121-W140 HydrophobicContact CG2-CE3 4.09Å; V121-W140 HydrophobicContact CG2-CH2 4.11Å; V121-W140 HydrophobicContact CG2-CZ3 3.7Å; L124-W140 HydrophobicContact CD2-CB 3.5Å; L124-W140 HydrophobicContact CD2-CD2 4.44Å; L124-W140 HydrophobicContact CD2-CG 3.79Å; I125-W140 HydrophobicContact CD1-CZ2 4.2Å; L136-W140 WeakPolarHBondContact O-CB 3.49Å; L136-W140 PolarHBondContact O-N 2.91Å; Q137-W140 PolarHBondContact O-N 3.44Å; Q137-W140 VanDerWaalsContact O-N 3.16Å; W140-Y142 PolarHBondContact O-N 2.9Å; W140-V143 HydrophobicContact CZ3-CG1 4.26Å; W140-V143 PolarHBondContact O-N 3.41Å; W140-V143 VanDerWaalsContact O-N 3.13Å; W140-Q144 HydrophobicContact CD2-CG 4.36Å; W140-Q144 HydrophobicContact CH2-CG 4.5Å; W140-Q144 HydrophobicContact CZ2-CG 3.94Å; W140-Q144 VanDerWaalsContact NE1-CD 3.34Å; W140-Q144 WeakPolarHBondContact O-CG 3.47Å; W140-Q144 PolarHBondContact O-N 2.84Å; W140-W152 HydrophobicContact CH2-CE3 4.12Å; W140-W152 HydrophobicContact CZ3-CE3 4.49Å; W140-W158 AromaticContact NE1-CZ2 3.67Å; W140-C216 HydrophobicContact CH2-CB 3.99Å |
| 141 | D | 88.6 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 173 | -76.7 | -25.1 | 0 | 0 | 0 | 111.7 | Y128 Q137 A145 S175 | Y128-D141 PolarHBondContact OH-OD1 3.06Å; Y128-D141 PolarHBondContact OH-OD2 3.4Å; Q137-D141 PolarHBondContact O-N 3.25Å; D141-A145 PolarHBondContact O-N 3.06Å; D141-S175 VanDerWaalsContact CA-CB 3.48Å; D141-S175 VanDerWaalsContact O-CB 3.31Å; D141-S175 WeakPolarHBondContact O-CB 3.46Å; D141-S175 WeakPolarHBondContact OD1-CB 3.37Å; D141-S175 PolarHBondContact OD1-OG 3.49Å |
| 142 | Y | 85.2 | Confident | 87.5 | Confident | 80 Ų | 80 | 49.7 Ų | 49.7 | 31% | 0.314 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.8 | -46.8 | 175 | -179.7 | -96.8 | 0 | 0 | 0 | 112.7 | T47 D138 T139 W140 Q144 A145 Q146 M188 | T47-Y142 HydrophobicContact CG2-CD2 3.92Å; T47-Y142 HydrophobicContact CG2-CE2 3.81Å; D138-Y142 WeakPolarHBondContact O-CB 3.46Å; D138-Y142 PolarHBondContact O-N 2.87Å; D138-Y142 VanDerWaalsContact O-N 3.11Å; T139-Y142 WeakPolarHBondContact O-CB 3.36Å; T139-Y142 PolarHBondContact O-N 3.33Å; W140-Y142 PolarHBondContact O-N 2.9Å; Y142-Q144 PolarHBondContact O-N 3.32Å; Y142-A145 PolarHBondContact O-N 2.94Å; Y142-Q146 HydrophobicContact CD1-CG 4.12Å; Y142-Q146 HydrophobicContact CD2-CG 4.08Å; Y142-Q146 HydrophobicContact CE1-CG 3.7Å; Y142-Q146 HydrophobicContact CE2-CG 3.66Å; Y142-Q146 HydrophobicContact CG-CG 4.3Å; Y142-Q146 VanDerWaalsContact CZ-CG 3.46Å; Y142-Q146 WeakPolarHBondContact O-CB 3.41Å; Y142-Q146 WeakPolarHBondContact O-CG 3.2Å; Y142-Q146 PolarHBondContact O-N 2.85Å; Y142-M188 HydrophobicContact CD2-CE 4.05Å; Y142-M188 HydrophobicContact CD2-SD 4.26Å |
| 143 | V | 89.2 | Confident | 88.1 | Confident | 44 Ų | 44 | 46.4 Ų | 46.4 | 27% | 0.267 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.7 | -47.4 | 178.5 | 169 | 0 | 0 | 0 | 0 | 110.8 | T139 W140 A145 Q146 V147 | T139-V143 WeakPolarHBondContact O-CG2 3.26Å; T139-V143 PolarHBondContact O-N 2.75Å; W140-V143 HydrophobicContact CZ3-CG1 4.26Å; W140-V143 PolarHBondContact O-N 3.41Å; W140-V143 VanDerWaalsContact O-N 3.13Å; V143-A145 PolarHBondContact O-N 3.39Å; V143-Q146 PolarHBondContact O-N 3.06Å; V143-V147 HydrophobicContact CG1-CG2 4.21Å; V143-V147 VanDerWaalsContact O-CB 3.23Å; V143-V147 WeakPolarHBondContact O-CB 3.45Å; V143-V147 VanDerWaalsContact O-CG2 3.31Å; V143-V147 WeakPolarHBondContact O-CG2 3.17Å; V143-V147 PolarHBondContact O-N 2.97Å |
| 144 | Q | 91.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61 | -44.5 | -178.1 | -70.7 | 179.5 | -80.2 | 0 | 0 | 112.5 | W140 Y142 K148 C149 S175 C176 | W140-Q144 HydrophobicContact CD2-CG 4.36Å; W140-Q144 HydrophobicContact CH2-CG 4.5Å; W140-Q144 HydrophobicContact CZ2-CG 3.94Å; W140-Q144 VanDerWaalsContact NE1-CD 3.34Å; W140-Q144 WeakPolarHBondContact O-CG 3.47Å; W140-Q144 PolarHBondContact O-N 2.84Å; Y142-Q144 PolarHBondContact O-N 3.32Å; Q144-K148 WeakPolarHBondContact O-CA 3.31Å; Q144-K148 PolarHBondContact O-N 2.85Å; Q144-C149 WeakPolarHBondContact CB-O 3.21Å; Q144-C149 PolarHBondContact O-N 2.88Å; Q144-C149 VanDerWaalsContact O-N 3.08Å; Q144-S175 CarbonylContact C-O 3.55Å; Q144-S175 PolarHBondContact OE1-OG 2.98Å; Q144-C176 PolarHBondContact NE2-SG 3.47Å |
| 145 | A | 86.6 | Confident | 89.2 | Confident | 30 Ų | 30 | 37.8 Ų | 37.8 | 25% | 0.248 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -70.2 | -41.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | D141 Y142 V143 S175 M188 | D141-A145 PolarHBondContact O-N 3.06Å; Y142-A145 PolarHBondContact O-N 2.94Å; V143-A145 PolarHBondContact O-N 3.39Å; A145-S175 WeakPolarHBondContact CA-O 3.38Å; A145-S175 PolarHBondContact N-O 2.99Å; A145-M188 HydrophobicContact CB-CE 3.21Å |
| 146 | Q | 85.1 | Confident | 89.7 | Confident | 107 Ų | 107 | 40.2 Ų | 40.2 | 50% | 0.5 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -70.6 | -41.7 | -179.3 | -74.1 | -61.6 | -23.4 | 0 | 0 | 112.5 | Y142 V143 K148 | Y142-Q146 HydrophobicContact CD1-CG 4.12Å; Y142-Q146 HydrophobicContact CD2-CG 4.08Å; Y142-Q146 HydrophobicContact CE1-CG 3.7Å; Y142-Q146 HydrophobicContact CE2-CG 3.66Å; Y142-Q146 HydrophobicContact CG-CG 4.3Å; Y142-Q146 VanDerWaalsContact CZ-CG 3.46Å; Y142-Q146 WeakPolarHBondContact O-CB 3.41Å; Y142-Q146 WeakPolarHBondContact O-CG 3.2Å; Y142-Q146 PolarHBondContact O-N 2.85Å; V143-Q146 PolarHBondContact O-N 3.06Å; Q146-K148 VanDerWaalsContact C-N 3.26Å; Q146-K148 PolarHBondContact O-N 3.42Å |
| 147 | V | 88.5 | Confident | 90.2 | Very high | 48 Ų | 48 | 37.2 Ų | 37.2 | 29% | 0.291 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -83.7 | -7.9 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | V143 C149 K219 V220 | V143-V147 HydrophobicContact CG1-CG2 4.21Å; V143-V147 VanDerWaalsContact O-CB 3.23Å; V143-V147 WeakPolarHBondContact O-CB 3.45Å; V143-V147 VanDerWaalsContact O-CG2 3.31Å; V143-V147 WeakPolarHBondContact O-CG2 3.17Å; V143-V147 PolarHBondContact O-N 2.97Å; V147-C149 HydrophobicContact CG1-CB 4.41Å; V147-K219 HydrophobicContact CG1-CB 3.45Å; V147-K219 VanDerWaalsContact CG1-CB 3.45Å; V147-K219 HydrophobicContact CG1-CG 4.32Å; V147-V220 HydrophobicContact CG1-CG2 4.35Å |
| 148 | K | 90.9 | Very high | 90.4 | Very high | 123 Ų | 123 | 37 Ų | 37 | 54% | 0.535 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 58.4 | -179.4 | -60.3 | -172.9 | 178.8 | -173.5 | 0 | 111.1 | Q144 Q146 Y212 | Q144-K148 WeakPolarHBondContact O-CA 3.31Å; Q144-K148 PolarHBondContact O-N 2.85Å; Q146-K148 VanDerWaalsContact C-N 3.26Å; Q146-K148 PolarHBondContact O-N 3.42Å; K148-Y212 VanDerWaalsContact C-CD2 3.48Å; K148-Y212 VanDerWaalsContact C-CG 3.43Å; K148-Y212 HydrophobicContact CB-CD1 4.05Å; K148-Y212 HydrophobicContact CB-CD2 4.4Å; K148-Y212 HydrophobicContact CB-CE1 3.65Å; K148-Y212 HydrophobicContact CB-CE2 4.04Å; K148-Y212 HydrophobicContact CB-CG 4.41Å; K148-Y212 HydrophobicContact CD-CE1 4.36Å; K148-Y212 HydrophobicContact CG-CE1 4.16Å; K148-Y212 HydrophobicContact CG-CE2 4.4Å |
| 149 | C | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -141.9 | 161.9 | -176.7 | 58.8 | 0 | 0 | 0 | 0 | 111 | Q144 V147 K214 C216 K219 | Q144-C149 WeakPolarHBondContact CB-O 3.21Å; Q144-C149 PolarHBondContact O-N 2.88Å; Q144-C149 VanDerWaalsContact O-N 3.08Å; V147-C149 HydrophobicContact CG1-CB 4.41Å; C149-K214 WeakPolarHBondContact CA-O 3.43Å; C149-K214 WeakPolarHBondContact CB-O 3.3Å; C149-C216 HydrophobicContact CB-CB 3.87Å; C149-C216 WeakPolarHBondContact CB-SG 3.43Å; C149-C216 WeakPolarHBondContact SG-CA 3.15Å; C149-C216 WeakPolarHBondContact SG-CB 3.19Å; C149-C216 CovalentContact SG-SG 2.03Å; C149-C216 PolarHBondContact SG-SG 3.37Å; C149-K219 HydrophobicContact CB-CB 4.36Å; C149-K219 HydrophobicContact CB-CG 4.04Å | ||
| 150 | C | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -134.6 | 129.3 | 176.3 | -167.6 | 0 | 0 | 0 | 0 | 112.2 | S154 F155 C176 Y212 K214 | C150-S154 CarbonylContact O-C 3.59Å; C150-F155 HydrophobicContact CB-CB 3.81Å; C150-F155 PolarHBondContact O-N 3.26Å; C150-F155 VanDerWaalsContact O-N 3.12Å; C150-C176 WeakPolarHBondContact CA-SG 3.02Å; C150-C176 HydrophobicContact CB-CB 3.58Å; C150-C176 WeakPolarHBondContact CB-SG 3.33Å; C150-C176 WeakPolarHBondContact SG-CB 3.31Å; C150-C176 CovalentContact SG-SG 2.04Å; C150-C176 PolarHBondContact SG-SG 2.81Å; C150-Y212 WeakPolarHBondContact CB-O 3.38Å; C150-K214 PolarHBondContact N-O 2.9Å | ||
| 151 | G | 94.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 68.9 | -178.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | C216 | G151-C216 WeakPolarHBondContact O-CB 3.41Å; G151-C216 PolarHBondContact O-N 2.96Å; G151-C216 PolarHBondContact O-SG 3.32Å |
| 152 | W | 94.9 | Very high | 91.1 | Very high | 40 Ų | 40 | 45 Ų | 45 | 15% | 0.152 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -78.2 | -65.3 | 179.9 | -178.9 | -112.4 | 0 | 0 | 0 | 111.7 | K114 M117 G118 V121 W140 N157 G215 C216 M217 | K114-W152 WeakPolarHBondContact O-CZ2 3.46Å; M117-W152 HydrophobicContact CB-CH2 3.75Å; M117-W152 HydrophobicContact CB-CZ2 3.97Å; G118-W152 VanDerWaalsContact CA-CD1 3.48Å; G118-W152 VanDerWaalsContact CA-CE2 3.42Å; V121-W152 HydrophobicContact CB-CB 4.42Å; V121-W152 HydrophobicContact CB-CD2 4.38Å; V121-W152 HydrophobicContact CB-CE3 4.07Å; V121-W152 HydrophobicContact CG1-CB 3.84Å; V121-W152 HydrophobicContact CG1-CD2 4.47Å; V121-W152 HydrophobicContact CG1-CE3 4.08Å; V121-W152 HydrophobicContact CG1-CG 4.42Å; V121-W152 HydrophobicContact CG2-CE3 3.83Å; V121-W152 HydrophobicContact CG2-CZ3 4.1Å; W140-W152 HydrophobicContact CH2-CE3 4.12Å; W140-W152 HydrophobicContact CZ3-CE3 4.49Å; W152-N157 PolarHBondContact N-OD1 3.4Å; W152-G215 CarbonylContact O-C 3.16Å; W152-C216 PolarHBondContact O-N 3.26Å; W152-M217 HydrophobicContact CD2-CB 4.05Å; W152-M217 HydrophobicContact CE3-CB 4.49Å; W152-M217 HydrophobicContact CG-CB 4.49Å; W152-M217 HydrophobicContact CH2-CB 4.44Å; W152-M217 HydrophobicContact CZ2-CB 3.98Å; W152-M217 HydrophobicContact CZ2-CG 3.88Å; W152-M217 HydrophobicContact CZ2-SD 4.38Å; W152-M217 VanDerWaalsContact O-CB 3.26Å; W152-M217 WeakPolarHBondContact O-CB 3.14Å; W152-M217 PolarHBondContact O-N 2.04Å |
| 153 | A | 93.8 | Very high | 91.2 | Very high | 55 Ų | 55 | 43.4 Ų | 43.4 | 46% | 0.455 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -92.4 | -34.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | N157 G215 | A153-N157 PolarHBondContact N-OD1 3.49Å; A153-G215 WeakPolarHBondContact O-CA 3.32Å |
| 154 | S | 92.7 | Very high | 91.1 | Very high | 31 Ų | 31 | 41.3 Ų | 41.3 | 22% | 0.217 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -159.9 | 163 | 178.8 | -176.4 | 0 | 0 | 0 | 0 | 110.7 | C150 Y156 N157 | C150-S154 CarbonylContact O-C 3.59Å; S154-Y156 PolarHBondContact O-N 3.21Å; S154-Y156 WeakPolarHBondContact OG-CD2 3.46Å; S154-N157 PolarHBondContact N-OD1 3.21Å; S154-N157 VanDerWaalsContact O-CB 3.31Å; S154-N157 WeakPolarHBondContact O-CB 3.33Å; S154-N157 VanDerWaalsContact O-CG 3.31Å; S154-N157 PolarHBondContact O-N 3.29Å; S154-N157 PolarHBondContact O-OD1 2.96Å |
| 155 | F | 91.1 | Very high | 90.8 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -59.3 | -26.3 | 174.3 | 71.9 | -84.7 | 0 | 0 | 0 | 112.4 | C150 N157 W158 L206 W209 V211 | C150-F155 HydrophobicContact CB-CB 3.81Å; C150-F155 PolarHBondContact O-N 3.26Å; C150-F155 VanDerWaalsContact O-N 3.12Å; F155-N157 PolarHBondContact O-N 3.39Å; F155-N157 VanDerWaalsContact O-N 3.08Å; F155-W158 PolarHBondContact O-N 3.18Å; F155-W158 VanDerWaalsContact O-N 3.12Å; F155-L206 HydrophobicContact CD2-CD2 4.2Å; F155-L206 HydrophobicContact CE2-CB 4.24Å; F155-L206 HydrophobicContact CE2-CD2 4.06Å; F155-W209 HydrophobicContact CD2-CE3 4.14Å; F155-V211 HydrophobicContact CB-CG2 4.02Å; F155-V211 HydrophobicContact CD2-CG2 4.21Å; F155-V211 HydrophobicContact CG-CG2 4.18Å |
| 156 | Y | 91.7 | Very high | 90.8 | Very high | 111 Ų | 111 | 50.1 Ų | 50.1 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -56.5 | -22.1 | 172.2 | -69.4 | -73 | 0 | 0 | 0 | 113.5 | S154 W158 T159 L206 | S154-Y156 PolarHBondContact O-N 3.21Å; S154-Y156 WeakPolarHBondContact OG-CD2 3.46Å; Y156-W158 PolarHBondContact O-N 2.89Å; Y156-T159 WeakPolarHBondContact O-CB 3.39Å; Y156-T159 WeakPolarHBondContact O-CG2 3.29Å; Y156-T159 PolarHBondContact O-N 2.96Å; Y156-T159 PolarHBondContact O-OG1 2.85Å; Y156-L206 HydrophobicContact CD1-CD1 4.19Å; Y156-L206 HydrophobicContact CD1-CD2 3.94Å; Y156-L206 HydrophobicContact CD1-CG 4.46Å; Y156-L206 HydrophobicContact CE1-CB 4.12Å; Y156-L206 HydrophobicContact CE1-CD1 4.24Å; Y156-L206 HydrophobicContact CE1-CD2 4.3Å; Y156-L206 HydrophobicContact CE1-CG 4.45Å |
| 157 | N | 93.8 | Very high | 90.6 | Very high | 30 Ų | 30 | 49.6 Ų | 49.6 | 16% | 0.16 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -57.7 | -23.8 | 176.3 | -69.8 | 136.3 | 0 | 0 | 0 | 113.3 | M122 I125 W152 A153 S154 F155 T159 D160 | M122-N157 HydrophobicContact CE-CB 4Å; M122-N157 HydrophobicContact SD-CB 3.52Å; M122-N157 VanDerWaalsContact SD-CB 3.52Å; M122-N157 PolarHBondContact SD-ND2 2.85Å; I125-N157 HydrophobicContact CD1-CB 4.25Å; I125-N157 WeakPolarHBondContact CG2-O 3.45Å; W152-N157 PolarHBondContact N-OD1 3.4Å; A153-N157 PolarHBondContact N-OD1 3.49Å; S154-N157 PolarHBondContact N-OD1 3.21Å; S154-N157 VanDerWaalsContact O-CB 3.31Å; S154-N157 WeakPolarHBondContact O-CB 3.33Å; S154-N157 VanDerWaalsContact O-CG 3.31Å; S154-N157 PolarHBondContact O-N 3.29Å; S154-N157 PolarHBondContact O-OD1 2.96Å; F155-N157 PolarHBondContact O-N 3.39Å; F155-N157 VanDerWaalsContact O-N 3.08Å; N157-T159 PolarHBondContact O-N 3.36Å; N157-D160 PolarHBondContact O-N 3.31Å |
| 158 | W | 92.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -73 | -11.9 | 176.1 | -73.3 | 100 | 0 | 0 | 0 | 114.2 | I125 Y128 W140 F155 Y156 D160 N161 L164 P173 F192 W209 | I125-W158 HydrophobicContact CG1-CH2 4.32Å; I125-W158 HydrophobicContact CG1-CZ2 4.14Å; I125-W158 HydrophobicContact CG2-CD2 3.86Å; I125-W158 HydrophobicContact CG2-CE3 3.69Å; I125-W158 HydrophobicContact CG2-CG 4.36Å; I125-W158 HydrophobicContact CG2-CZ3 4.13Å; Y128-W158 HydrophobicContact CD1-CH2 4.38Å; Y128-W158 HydrophobicContact CD1-CZ3 4.06Å; Y128-W158 AromaticContact CD2-CH2 3.86Å; Y128-W158 HydrophobicContact CD2-CH2 3.86Å; Y128-W158 HydrophobicContact CD2-CZ3 4.22Å; Y128-W158 HydrophobicContact CE2-CH2 4.18Å; Y128-W158 AromaticContact CG-CH2 3.97Å; Y128-W158 HydrophobicContact CG-CH2 3.97Å; Y128-W158 AromaticContact CG-CZ3 3.84Å; Y128-W158 HydrophobicContact CG-CZ3 3.84Å; W140-W158 AromaticContact NE1-CZ2 3.67Å; F155-W158 PolarHBondContact O-N 3.18Å; F155-W158 VanDerWaalsContact O-N 3.12Å; Y156-W158 PolarHBondContact O-N 2.89Å; W158-D160 PolarHBondContact O-N 2.93Å; W158-N161 HydrophobicContact CE3-CB 4.46Å; W158-N161 WeakPolarHBondContact O-CB 3.01Å; W158-N161 PolarHBondContact O-N 2.92Å; W158-L164 HydrophobicContact CB-CD2 3.92Å; W158-L164 HydrophobicContact CE3-CD2 4.4Å; W158-P173 HydrophobicContact CB-CG 4.28Å; W158-P173 HydrophobicContact CD2-CB 4.19Å; W158-P173 HydrophobicContact CD2-CG 3.19Å; W158-P173 HydrophobicContact CE3-CB 4.38Å; W158-P173 HydrophobicContact CE3-CG 3.54Å; W158-P173 HydrophobicContact CG-CG 3.54Å; W158-P173 HydrophobicContact CH2-CB 4.02Å; W158-P173 HydrophobicContact CH2-CG 4.03Å; W158-P173 HydrophobicContact CZ2-CB 3.81Å; W158-P173 HydrophobicContact CZ2-CG 3.74Å; W158-P173 HydrophobicContact CZ3-CB 4.31Å; W158-P173 HydrophobicContact CZ3-CG 3.94Å; W158-F192 HydrophobicContact CZ3-CE1 4.14Å; W158-W209 HydrophobicContact CB-CH2 4.11Å; W158-W209 HydrophobicContact CB-CZ3 3.99Å |
| 159 | T | 90.4 | Very high | 89.1 | Confident | 48 Ų | 48 | 52.1 Ų | 52.1 | 29% | 0.294 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -67.2 | -20.8 | 172.3 | 62.1 | 0 | 0 | 0 | 0 | 112.9 | Y156 N157 N161 M165 L206 | Y156-T159 WeakPolarHBondContact O-CB 3.39Å; Y156-T159 WeakPolarHBondContact O-CG2 3.29Å; Y156-T159 PolarHBondContact O-N 2.96Å; Y156-T159 PolarHBondContact O-OG1 2.85Å; N157-T159 PolarHBondContact O-N 3.36Å; T159-N161 PolarHBondContact O-N 2.88Å; T159-M165 HydrophobicContact CG2-SD 4.35Å; T159-M165 VanDerWaalsContact O-CG 3.27Å; T159-M165 WeakPolarHBondContact O-CG 3.4Å; T159-L206 HydrophobicContact CG2-CD1 3.53Å; T159-L206 HydrophobicContact CG2-CD2 3.51Å; T159-L206 HydrophobicContact CG2-CG 4.06Å |
| 160 | D | 91.5 | Very high | 88.4 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -77.4 | -10.5 | 178.4 | -64.7 | -7.9 | 0 | 0 | 0 | 111.8 | M122 N157 W158 T162 | M122-D160 HydrophobicContact CE-CB 4.32Å; M122-D160 WeakPolarHBondContact CE-OD2 3.45Å; N157-D160 PolarHBondContact O-N 3.31Å; W158-D160 PolarHBondContact O-N 2.93Å; D160-T162 PolarHBondContact O-N 3.49Å |
| 161 | N | 92.4 | Very high | 88 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | trans | -82.4 | 111.3 | 173.2 | -174.9 | -67.5 | 0 | 0 | 0 | 110.5 | I125 Y128 W158 T159 E163 L164 M165 | I125-N161 WeakPolarHBondContact O-CB 3.4Å; I125-N161 PolarHBondContact O-ND2 3.25Å; Y128-N161 PolarHBondContact O-ND2 3.43Å; W158-N161 HydrophobicContact CE3-CB 4.46Å; W158-N161 WeakPolarHBondContact O-CB 3.01Å; W158-N161 PolarHBondContact O-N 2.92Å; T159-N161 PolarHBondContact O-N 2.88Å; N161-E163 PolarHBondContact O-N 3.39Å; N161-E163 WeakPolarHBondContact OD1-CA 3.18Å; N161-E163 WeakPolarHBondContact OD1-CB 3.27Å; N161-E163 PolarHBondContact OD1-N 3.44Å; N161-L164 HydrophobicContact CB-CB 4.13Å; N161-L164 WeakPolarHBondContact OD1-CB 3.31Å; N161-L164 PolarHBondContact OD1-N 3.05Å; N161-M165 WeakPolarHBondContact O-CG 3.49Å; N161-M165 PolarHBondContact O-N 3.13Å; N161-M165 VanDerWaalsContact O-N 3.1Å | ||
| 162 | T | 88.4 | Confident | 87.7 | Confident | 110 Ų | 110 | 54 Ų | 54 | 68% | 0.675 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -70.6 | -29.3 | -178.8 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | D160 N166 | D160-T162 PolarHBondContact O-N 3.49Å; T162-N166 WeakPolarHBondContact O-CB 3.28Å; T162-N166 PolarHBondContact O-N 2.9Å |
| 163 | E | 87.8 | Confident | 87.5 | Confident | 46 Ų | 46 | 52 Ų | 52 | 22% | 0.215 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66 | -43.1 | 177.9 | -175.8 | -177.5 | 143.9 | 0 | 0 | 111.1 | N129 S130 N161 R167 F192 | N129-E163 WeakPolarHBondContact CA-OE2 3.49Å; N129-E163 WeakPolarHBondContact CB-OE2 3.44Å; N129-E163 PolarHBondContact ND2-OE2 3.5Å; N129-E163 PolarHBondContact OD1-OE2 3.08Å; S130-E163 PolarHBondContact N-OE1 2.89Å; S130-E163 PolarHBondContact OG-OE1 2.98Å; N161-E163 PolarHBondContact O-N 3.39Å; N161-E163 WeakPolarHBondContact OD1-CA 3.18Å; N161-E163 WeakPolarHBondContact OD1-CB 3.27Å; N161-E163 PolarHBondContact OD1-N 3.44Å; E163-R167 IonicContact OE1-NH2 3.4Å; E163-F192 HydrophobicContact CB-CE2 4.42Å; E163-F192 HydrophobicContact CG-CE2 4.02Å; E163-F192 WeakPolarHBondContact OE1-CE2 3.39Å |
| 164 | L | 87.7 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.2 | -49.8 | 176.3 | -176.6 | 71 | 0 | 0 | 0 | 110.6 | W158 N161 N166 R167 T171 F192 N204 W209 | W158-L164 HydrophobicContact CB-CD2 3.92Å; W158-L164 HydrophobicContact CE3-CD2 4.4Å; N161-L164 HydrophobicContact CB-CB 4.13Å; N161-L164 WeakPolarHBondContact OD1-CB 3.31Å; N161-L164 PolarHBondContact OD1-N 3.05Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 2.98Å; L164-R167 PolarHBondContact O-N 3.5Å; L164-T171 WeakPolarHBondContact CD1-OG1 3.34Å; L164-F192 HydrophobicContact CB-CE1 4.12Å; L164-F192 HydrophobicContact CB-CE2 4.48Å; L164-F192 HydrophobicContact CB-CZ 4.01Å; L164-F192 HydrophobicContact CD1-CB 4.26Å; L164-F192 HydrophobicContact CD1-CD1 3.46Å; L164-F192 VanDerWaalsContact CD1-CD1 3.46Å; L164-F192 HydrophobicContact CD1-CD2 4.35Å; L164-F192 HydrophobicContact CD1-CE1 3.73Å; L164-F192 HydrophobicContact CD1-CG 3.77Å; L164-F192 HydrophobicContact CD1-CZ 4.28Å; L164-F192 HydrophobicContact CG-CE1 4.36Å; L164-N204 PolarHBondContact O-ND2 3.38Å; L164-N204 VanDerWaalsContact O-ND2 3.15Å; L164-W209 HydrophobicContact CD2-CH2 3.6Å; L164-W209 HydrophobicContact CD2-CZ2 4.13Å |
| 165 | M | 85.3 | Confident | 87.1 | Confident | 71 Ų | 71 | 48.6 Ų | 48.6 | 35% | 0.35 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -70.8 | -23.8 | -174.7 | -68 | -54.7 | -66.2 | 0 | 0 | 114 | T159 N161 R167 N204 | T159-M165 HydrophobicContact CG2-SD 4.35Å; T159-M165 VanDerWaalsContact O-CG 3.27Å; T159-M165 WeakPolarHBondContact O-CG 3.4Å; N161-M165 WeakPolarHBondContact O-CG 3.49Å; N161-M165 PolarHBondContact O-N 3.13Å; N161-M165 VanDerWaalsContact O-N 3.1Å; M165-R167 VanDerWaalsContact C-N 3.32Å; M165-N204 HydrophobicContact CE-CB 4.33Å; M165-N204 HydrophobicContact SD-CB 4.45Å |
| 166 | N | 85.9 | Confident | 87.1 | Confident | 144 Ų | 144 | 48.3 Ų | 48.3 | 77% | 0.77 | 25% | 0.254 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.9 | 178.8 | -162.8 | 31.1 | 0 | 0 | 0 | 113.5 | T162 L164 | T162-N166 WeakPolarHBondContact O-CB 3.28Å; T162-N166 PolarHBondContact O-N 2.9Å; L164-N166 VanDerWaalsContact C-N 3.31Å; L164-N166 PolarHBondContact O-N 2.98Å |
| 167 | R | 80 | Confident | 87 | Confident | 96 Ų | 96 | 45 Ų | 45 | 36% | 0.362 | 24% | 0.242 | S | C | . | . | trans | -74.3 | 139.3 | 174.9 | -73.4 | -177.2 | -177.8 | -110 | 2.3 | 111.2 | S130 E163 L164 M165 E169 T171 N204 | S130-R167 PolarHBondContact OG-NH2 3.18Å; E163-R167 IonicContact OE1-NH2 3.4Å; L164-R167 PolarHBondContact O-N 3.5Å; M165-R167 VanDerWaalsContact C-N 3.32Å; R167-E169 VanDerWaalsContact C-N 3.31Å; R167-T171 HydrophobicContact CB-CG2 4.44Å; R167-N204 PolarHBondContact O-ND2 2.91Å | ||
| 168 | S | 72.4 | Confident | 86.6 | Confident | 116 Ų | 116 | 47.8 Ų | 47.8 | 81% | 0.811 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -72.2 | -25.5 | -179.8 | -53.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 169 | E | 76.8 | Confident | 85.7 | Confident | 109 Ų | 109 | 50.8 Ų | 50.8 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -96.2 | 155.3 | -179.2 | -69.3 | 167.4 | 167.7 | 0 | 0 | 110.3 | R167 T171 N204 | R167-E169 VanDerWaalsContact C-N 3.31Å; E169-T171 HydrophobicContact CB-CG2 4.49Å; E169-T171 PolarHBondContact O-N 3.12Å; E169-N204 PolarHBondContact O-OD1 3.44Å; E169-N204 VanDerWaalsContact O-OD1 3.12Å |
| 170 | V | 79.5 | Confident | 84.4 | Confident | 29 Ų | 29 | 51.1 Ų | 51.1 | 18% | 0.176 | 28% | 0.283 | C | S | . | . | trans | -72.6 | 96.2 | 178.5 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | T195 N204 | V170-T195 PolarHBondContact O-N 3.37Å; V170-N204 WeakPolarHBondContact CA-OD1 3.38Å | ||
| 171 | T | 85.8 | Confident | 82.5 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.006 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 146.7 | -178.3 | 55.2 | 0 | 0 | 0 | 0 | 112.3 | L164 R167 E169 C193 E194 N204 W209 | L164-T171 WeakPolarHBondContact CD1-OG1 3.34Å; R167-T171 HydrophobicContact CB-CG2 4.44Å; E169-T171 HydrophobicContact CB-CG2 4.49Å; E169-T171 PolarHBondContact O-N 3.12Å; T171-C193 CarbonylContact C-O 3.57Å; T171-C193 WeakPolarHBondContact CA-O 3.44Å; T171-E194 HydrophobicContact CG2-CG 3.79Å; T171-N204 PolarHBondContact N-OD1 3.28Å; T171-N204 PolarHBondContact O-OD1 3Å; T171-W209 VanDerWaalsContact O-CZ2 3.29Å; T171-W209 WeakPolarHBondContact O-CZ2 3.37Å |
| 172 | Y | 88.1 | Confident | 80.3 | Confident | 8 Ų | 8 | 65.9 Ų | 65.9 | 3% | 0.031 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 162.2 | 175.7 | 61.2 | -87.5 | 0 | 0 | 0 | 110.5 | C174 E177 F192 C193 T195 P210 V211 | Y172-C174 PolarHBondContact O-N 3.24Å; Y172-E177 HydrophobicContact CE2-CB 4.08Å; Y172-E177 HydrophobicContact CE2-CG 4.21Å; Y172-E177 PolarHBondContact OH-OE1 3.12Å; Y172-F192 CarbonylContact O-C 3.58Å; Y172-F192 WeakPolarHBondContact O-CA 3.08Å; Y172-C193 WeakPolarHBondContact CD1-O 3.38Å; Y172-C193 HydrophobicContact CD2-CB 4.4Å; Y172-C193 HydrophobicContact CE1-CB 4.23Å; Y172-C193 HydrophobicContact CE2-CB 3.86Å; Y172-C193 PolarHBondContact N-O 2.98Å; Y172-C193 PolarHBondContact O-N 2.03Å; Y172-T195 WeakPolarHBondContact CE1-OG1 3.48Å; Y172-P210 HydrophobicContact CD1-CG 4.39Å; Y172-P210 HydrophobicContact CE1-CG 3.72Å; Y172-P210 HydrophobicContact CE2-CG 4.19Å; Y172-V211 HydrophobicContact CD2-CG1 3.6Å; Y172-V211 HydrophobicContact CE2-CG1 4.33Å; Y172-V211 HydrophobicContact CG-CG1 4.06Å |
| 173 | P | 91 | Very high | 78.3 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 122 | 176.6 | -14.3 | 27.3 | 0 | 0 | 0 | 110.6 | W158 S175 C176 | W158-P173 HydrophobicContact CB-CG 4.28Å; W158-P173 HydrophobicContact CD2-CB 4.19Å; W158-P173 HydrophobicContact CD2-CG 3.19Å; W158-P173 HydrophobicContact CE3-CB 4.38Å; W158-P173 HydrophobicContact CE3-CG 3.54Å; W158-P173 HydrophobicContact CG-CG 3.54Å; W158-P173 HydrophobicContact CH2-CB 4.02Å; W158-P173 HydrophobicContact CH2-CG 4.03Å; W158-P173 HydrophobicContact CZ2-CB 3.81Å; W158-P173 HydrophobicContact CZ2-CG 3.74Å; W158-P173 HydrophobicContact CZ3-CB 4.31Å; W158-P173 HydrophobicContact CZ3-CG 3.94Å; P173-S175 PolarHBondContact O-N 3.4Å; P173-S175 VanDerWaalsContact O-N 3.16Å; P173-C176 HydrophobicContact CB-CB 4.4Å; P173-C176 WeakPolarHBondContact O-CB 3.45Å; P173-C176 PolarHBondContact O-N 3.44Å |
| 174 | C | 88.9 | Confident | 76.3 | Confident | 10 Ų | 10 | 70.6 Ų | 70.6 | 7% | 0.068 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -57.6 | -33 | -178.1 | -66.4 | 0 | 0 | 0 | 0 | 112.9 | Y172 C176 E177 R189 G191 C193 | Y172-C174 PolarHBondContact O-N 3.24Å; C174-C176 PolarHBondContact O-N 3.13Å; C174-E177 WeakPolarHBondContact O-CB 3.41Å; C174-E177 PolarHBondContact O-N 3.05Å; C174-R189 HydrophobicContact CB-CB 3.66Å; C174-R189 WeakPolarHBondContact CB-O 3.23Å; C174-G191 PolarHBondContact N-O 2.86Å; C174-G191 PolarHBondContact SG-O 3.03Å; C174-G191 VanDerWaalsContact SG-O 3.41Å; C174-C193 VanDerWaalsContact CA-SG 3.59Å; C174-C193 HydrophobicContact CB-CB 4.05Å; C174-C193 WeakPolarHBondContact CB-SG 3.33Å; C174-C193 WeakPolarHBondContact SG-CA 3.25Å; C174-C193 WeakPolarHBondContact SG-CB 3.4Å; C174-C193 PolarHBondContact SG-N 3.46Å; C174-C193 CovalentContact SG-SG 2.03Å; C174-C193 PolarHBondContact SG-SG 3.4Å |
| 175 | S | 89.1 | Confident | 74.2 | Confident | 4 Ų | 4 | 73 Ų | 73 | 3% | 0.028 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -65.8 | -18.6 | 178.2 | 52.4 | 0 | 0 | 0 | 0 | 114 | D141 Q144 A145 P173 | D141-S175 VanDerWaalsContact CA-CB 3.48Å; D141-S175 VanDerWaalsContact O-CB 3.31Å; D141-S175 WeakPolarHBondContact O-CB 3.46Å; D141-S175 WeakPolarHBondContact OD1-CB 3.37Å; D141-S175 PolarHBondContact OD1-OG 3.49Å; Q144-S175 CarbonylContact C-O 3.55Å; Q144-S175 PolarHBondContact OE1-OG 2.98Å; A145-S175 WeakPolarHBondContact CA-O 3.38Å; A145-S175 PolarHBondContact N-O 2.99Å; P173-S175 PolarHBondContact O-N 3.4Å; P173-S175 VanDerWaalsContact O-N 3.16Å |
| 176 | C | 91 | Very high | 72.6 | Confident | 0 Ų | 0 | 74.9 Ų | 74.9 | 0% | 0 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -89.2 | -6.9 | 177.2 | -72.5 | 0 | 0 | 0 | 0 | 114.3 | Q144 C150 P173 C174 N178 V211 Y212 | Q144-C176 PolarHBondContact NE2-SG 3.47Å; C150-C176 WeakPolarHBondContact CA-SG 3.02Å; C150-C176 HydrophobicContact CB-CB 3.58Å; C150-C176 WeakPolarHBondContact CB-SG 3.33Å; C150-C176 WeakPolarHBondContact SG-CB 3.31Å; C150-C176 CovalentContact SG-SG 2.04Å; C150-C176 PolarHBondContact SG-SG 2.81Å; P173-C176 HydrophobicContact CB-CB 4.4Å; P173-C176 WeakPolarHBondContact O-CB 3.45Å; P173-C176 PolarHBondContact O-N 3.44Å; C174-C176 PolarHBondContact O-N 3.13Å; C176-N178 PolarHBondContact O-N 2.96Å; C176-V211 HydrophobicContact CB-CB 3.85Å; C176-V211 HydrophobicContact CB-CG1 3.62Å; C176-V211 CarbonylContact O-C 3.52Å; C176-V211 WeakPolarHBondContact O-CA 3.41Å; C176-V211 WeakPolarHBondContact O-CB 3.48Å; C176-Y212 WeakPolarHBondContact O-CD2 3.43Å; C176-Y212 PolarHBondContact O-N 3.45Å |
| 177 | E | 88.7 | Confident | 71.1 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 20% | 0.196 | 38% | 0.381 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 123.6 | -171.8 | -169.5 | 178.6 | -150.8 | 0 | 0 | 111.4 | Y172 C174 K179 Y212 | Y172-E177 HydrophobicContact CE2-CB 4.08Å; Y172-E177 HydrophobicContact CE2-CG 4.21Å; Y172-E177 PolarHBondContact OH-OE1 3.12Å; C174-E177 WeakPolarHBondContact O-CB 3.41Å; C174-E177 PolarHBondContact O-N 3.05Å; E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 HydrophobicContact CG-CG 4.02Å; E177-K179 PolarHBondContact O-N 2.95Å; E177-K179 VanDerWaalsContact O-N 3.11Å; E177-K179 WeakPolarHBondContact OE2-CE 3.36Å; E177-Y212 WeakPolarHBondContact O-CE2 3.14Å; E177-Y212 PolarHBondContact O-OH 2.97Å |
| 178 | N | 85.7 | Confident | 70.2 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 48% | 0.476 | 38% | 0.375 | S | S | . | . | trans | -84.9 | 79.2 | 173 | -174 | 14.2 | 0 | 0 | 0 | 108.8 | C176 G180 P210 Y212 | C176-N178 PolarHBondContact O-N 2.96Å; N178-G180 PolarHBondContact O-N 3.08Å; N178-G180 VanDerWaalsContact O-N 3.14Å; N178-P210 PolarHBondContact N-O 3.42Å; N178-Y212 HydrophobicContact CB-CD1 3.97Å; N178-Y212 HydrophobicContact CB-CE1 3.94Å; N178-Y212 HydrophobicContact CB-CG 4.45Å; N178-Y212 VanDerWaalsContact OD1-CE1 3.3Å; N178-Y212 WeakPolarHBondContact OD1-CE1 3.44Å | ||
| 179 | K | 72.6 | Confident | 70.1 | Confident | 63 Ų | 63 | 69.6 Ų | 69.6 | 27% | 0.274 | 36% | 0.362 | S | S | . | . | trans | -64.5 | 114.1 | 171.8 | -64.3 | -173.5 | 179.5 | -175.8 | 0 | 108.3 | E177 S185 | E177-K179 VanDerWaalsContact C-N 3.31Å; E177-K179 HydrophobicContact CG-CG 4.02Å; E177-K179 PolarHBondContact O-N 2.95Å; E177-K179 VanDerWaalsContact O-N 3.11Å; E177-K179 WeakPolarHBondContact OE2-CE 3.36Å; K179-S185 PolarHBondContact NZ-O 3.47Å | ||
| 180 | G | 62.8 | Low | 70.1 | Confident | 55 Ų | 55 | 68.6 Ų | 68.6 | 57% | 0.567 | 36% | 0.356 | S | S | * | . | trans | -55.2 | 156.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N178 E182 | N178-G180 PolarHBondContact O-N 3.08Å; N178-G180 VanDerWaalsContact O-N 3.14Å; G180-E182 PolarHBondContact O-N 3.31Å | ||
| 181 | E | 52.7 | Low | 70.4 | Confident | 195 Ų | 195 | 67.4 Ų | 67.4 | 91% | 0.911 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -1.7 | -169.7 | -68.8 | -178 | 155.1 | 0 | 0 | 116.6 | ||
| 182 | E | 45.9 | Very low | 70.5 | Confident | 195 Ų | 195 | 68.8 Ų | 68.8 | 91% | 0.911 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -8.2 | -171.9 | -67.3 | -169.7 | 163.1 | 0 | 0 | 115.8 | G180 | G180-E182 PolarHBondContact O-N 3.31Š|
| 183 | D | 46 | Very low | 70.5 | Confident | 96 Ų | 96 | 69 Ų | 69 | 51% | 0.513 | 36% | 0.359 | S | S | . | . | trans | -109.7 | 85.6 | 178.8 | -151.1 | -14.1 | 0 | 0 | 0 | 112.1 | S185 | D183-S185 VanDerWaalsContact CG-OG 3.25Å; D183-S185 PolarHBondContact O-N 3.16Å; D183-S185 WeakPolarHBondContact OD1-CB 3.45Å; D183-S185 PolarHBondContact OD1-N 2.92Å; D183-S185 PolarHBondContact OD1-OG 3.29Å; D183-S185 PolarHBondContact OD2-OG 3.35Å | ||
| 184 | N | 46.6 | Very low | 70.2 | Confident | 160 Ų | 160 | 74.6 Ų | 74.6 | 86% | 0.856 | 39% | 0.385 | S | S | * | . | trans | -71.2 | 16.9 | 173 | -81.4 | -36.7 | 0 | 0 | 0 | 113.4 | L186 | N184-L186 PolarHBondContact O-N 3.06Å; N184-L186 VanDerWaalsContact O-N 3.12Å | ||
| 185 | S | 44.5 | Very low | 69.5 | Low | 49 Ų | 49 | 76.1 Ų | 76.1 | 34% | 0.343 | 39% | 0.394 | S | S | . | . | trans | -80 | 86.8 | 166.1 | 65.7 | 0 | 0 | 0 | 0 | 109.8 | K179 D183 S187 | K179-S185 PolarHBondContact NZ-O 3.47Å; D183-S185 VanDerWaalsContact CG-OG 3.25Å; D183-S185 PolarHBondContact O-N 3.16Å; D183-S185 WeakPolarHBondContact OD1-CB 3.45Å; D183-S185 PolarHBondContact OD1-N 2.92Å; D183-S185 PolarHBondContact OD1-OG 3.29Å; D183-S185 PolarHBondContact OD2-OG 3.35Å; S185-S187 PolarHBondContact O-N 3.44Å | ||
| 186 | L | 51.4 | Low | 68.2 | Low | 112 Ų | 112 | 81.5 Ų | 81.5 | 59% | 0.586 | 44% | 0.438 | S | S | * | . | trans | -70.8 | 31.2 | 176.6 | -168.3 | 131.3 | 0 | 0 | 0 | 112.6 | Q46 N184 M188 | Q46-L186 HydrophobicContact CB-CD2 3.75Å; Q46-L186 WeakPolarHBondContact CB-O 3.44Å; Q46-L186 PolarHBondContact OE1-O 2.87Å; N184-L186 PolarHBondContact O-N 3.06Å; N184-L186 VanDerWaalsContact O-N 3.12Å; L186-M188 PolarHBondContact O-N 3.42Å | ||
| 187 | S | 54.3 | Low | 66.6 | Low | 55 Ų | 55 | 83.8 Ų | 83.8 | 39% | 0.385 | 46% | 0.462 | S | S | . | . | trans | -75.5 | 106 | 166.7 | 61.9 | 0 | 0 | 0 | 0 | 109 | S185 R189 | S185-S187 PolarHBondContact O-N 3.44Å; S187-R189 PolarHBondContact O-N 3.4Å | ||
| 188 | M | 61.5 | Low | 64.9 | Low | 46 Ų | 46 | 89 Ų | 89 | 23% | 0.227 | 49% | 0.491 | C | S | . | . | trans | -66.3 | 99.2 | 167.4 | 175.2 | 169.8 | -88.2 | 0 | 0 | 108.1 | Y142 A145 L186 | Y142-M188 HydrophobicContact CD2-CE 4.05Å; Y142-M188 HydrophobicContact CD2-SD 4.26Å; A145-M188 HydrophobicContact CB-CE 3.21Å; L186-M188 PolarHBondContact O-N 3.42Å | ||
| 189 | R | 69.4 | Low | 63.3 | Low | 143 Ų | 143 | 94.9 Ų | 94.9 | 54% | 0.54 | 51% | 0.513 | S | S | . | . | trans | -70.6 | 130.9 | 169.1 | -76.5 | -179.2 | 178.2 | 143.3 | -0.4 | 108.1 | C174 S187 | C174-R189 HydrophobicContact CB-CB 3.66Å; C174-R189 WeakPolarHBondContact CB-O 3.23Å; S187-R189 PolarHBondContact O-N 3.4Å | ||
| 190 | K | 76.2 | Confident | 62.3 | Low | 88 Ų | 88 | 97.9 Ų | 97.9 | 38% | 0.383 | 54% | 0.537 | S | S | . | . | trans | -98.1 | 161.2 | 175.9 | -63.3 | -178.4 | 175 | -167.3 | 0 | 110.1 | D138 | D138-K190 WeakPolarHBondContact OD1-CD 3.33Å; D138-K190 WeakPolarHBondContact OD1-CE 3.44Å; D138-K190 IonicContact OD1-NZ 2.8Å; D138-K190 PolarHBondContact OD1-NZ 2.83Å; D138-K190 IonicContact OD2-NZ 3.83Å; D138-K190 PolarHBondContact OD2-NZ 2.89Å | ||
| 191 | G | 85.6 | Confident | 61.7 | Low | 5 Ų | 5 | 100.2 Ų | 100.2 | 5% | 0.052 | 53% | 0.533 | C | S | . | . | S | Bend | trans | 76.2 | -145.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y128 C174 | Y128-G191 VanDerWaalsContact OH-CA 3.27Å; Y128-G191 WeakPolarHBondContact OH-CA 3.43Å; Y128-G191 PolarHBondContact OH-N 3.26Å; Y128-G191 VanDerWaalsContact OH-N 3.08Å; C174-G191 PolarHBondContact N-O 2.86Å; C174-G191 PolarHBondContact SG-O 3.03Å; C174-G191 VanDerWaalsContact SG-O 3.41Å |
| 192 | F | 89.6 | Confident | 61.5 | Low | 30 Ų | 30 | 103 Ų | 103 | 13% | 0.132 | 54% | 0.535 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 133.5 | -175 | -54.6 | -50.2 | 0 | 0 | 0 | 111.3 | Y128 W158 E163 L164 Y172 | Y128-F192 AromaticContact CD1-CE1 3.72Å; Y128-F192 HydrophobicContact CD1-CE1 3.72Å; Y128-F192 HydrophobicContact CD1-CE2 4.38Å; Y128-F192 AromaticContact CD1-CZ 3.52Å; Y128-F192 HydrophobicContact CD1-CZ 3.52Å; Y128-F192 HydrophobicContact CE1-CD1 4.41Å; Y128-F192 AromaticContact CE1-CE1 3.78Å; Y128-F192 HydrophobicContact CE1-CE1 3.78Å; Y128-F192 AromaticContact CE1-CZ 3.88Å; Y128-F192 HydrophobicContact CE1-CZ 3.88Å; W158-F192 HydrophobicContact CZ3-CE1 4.14Å; E163-F192 HydrophobicContact CB-CE2 4.42Å; E163-F192 HydrophobicContact CG-CE2 4.02Å; E163-F192 WeakPolarHBondContact OE1-CE2 3.39Å; L164-F192 HydrophobicContact CB-CE1 4.12Å; L164-F192 HydrophobicContact CB-CE2 4.48Å; L164-F192 HydrophobicContact CB-CZ 4.01Å; L164-F192 HydrophobicContact CD1-CB 4.26Å; L164-F192 HydrophobicContact CD1-CD1 3.46Å; L164-F192 VanDerWaalsContact CD1-CD1 3.46Å; L164-F192 HydrophobicContact CD1-CD2 4.35Å; L164-F192 HydrophobicContact CD1-CE1 3.73Å; L164-F192 HydrophobicContact CD1-CG 3.77Å; L164-F192 HydrophobicContact CD1-CZ 4.28Å; L164-F192 HydrophobicContact CG-CE1 4.36Å; Y172-F192 CarbonylContact O-C 3.58Å; Y172-F192 WeakPolarHBondContact O-CA 3.08Å |
| 193 | C | 88.1 | Confident | 61.9 | Low | 13 Ų | 13 | 95.1 Ų | 95.1 | 9% | 0.088 | 51% | 0.506 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 145.9 | 178.8 | -81.6 | 0 | 0 | 0 | 0 | 109.4 | T171 Y172 C174 | T171-C193 CarbonylContact C-O 3.57Å; T171-C193 WeakPolarHBondContact CA-O 3.44Å; Y172-C193 WeakPolarHBondContact CD1-O 3.38Å; Y172-C193 HydrophobicContact CD2-CB 4.4Å; Y172-C193 HydrophobicContact CE1-CB 4.23Å; Y172-C193 HydrophobicContact CE2-CB 3.86Å; Y172-C193 PolarHBondContact N-O 2.98Å; Y172-C193 PolarHBondContact O-N 2.03Å; C174-C193 VanDerWaalsContact CA-SG 3.59Å; C174-C193 HydrophobicContact CB-CB 4.05Å; C174-C193 WeakPolarHBondContact CB-SG 3.33Å; C174-C193 WeakPolarHBondContact SG-CA 3.25Å; C174-C193 WeakPolarHBondContact SG-CB 3.4Å; C174-C193 PolarHBondContact SG-N 3.46Å; C174-C193 CovalentContact SG-SG 2.03Å; C174-C193 PolarHBondContact SG-SG 3.4Å |
| 194 | E | 83.7 | Confident | 62.6 | Low | 116 Ų | 116 | 91.4 Ų | 91.4 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 144.3 | 176.6 | -71 | 162.8 | -148.7 | 0 | 0 | 110.4 | T171 | T171-E194 HydrophobicContact CG2-CG 3.79Å |
| 195 | T | 74.6 | Confident | 63.7 | Low | 43 Ų | 43 | 87.5 Ų | 87.5 | 26% | 0.264 | 47% | 0.465 | S | S | . | . | trans | -79.4 | 132.7 | 168.7 | -66.8 | 0 | 0 | 0 | 0 | 109.9 | V170 Y172 G197 | V170-T195 PolarHBondContact O-N 3.37Å; Y172-T195 WeakPolarHBondContact CE1-OG1 3.48Å; T195-G197 PolarHBondContact O-N 3.31Å | ||
| 196 | A | 61.9 | Low | 65.2 | Low | 116 Ų | 116 | 86.9 Ų | 86.9 | 96% | 0.959 | 46% | 0.458 | S | S | * | . | trans | -74.4 | 60.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 197 | G | 58 | Low | 66.2 | Low | 49 Ų | 49 | 89.8 Ų | 89.8 | 51% | 0.505 | 47% | 0.468 | S | S | . | . | trans | -106.2 | 150.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T195 K199 | T195-G197 PolarHBondContact O-N 3.31Å; G197-K199 PolarHBondContact O-N 2.93Å | ||
| 198 | N | 52.3 | Low | 67.3 | Low | 150 Ų | 150 | 91.1 Ų | 91.1 | 80% | 0.802 | 47% | 0.471 | S | S | * | . | trans | -55.1 | 130.4 | 175 | -81.4 | -36.1 | 0 | 0 | 0 | 110.8 | T200 | N198-T200 PolarHBondContact O-N 3.22Š| ||
| 199 | K | 51.5 | Low | 68.4 | Low | 213 Ų | 213 | 89.3 Ų | 89.3 | 93% | 0.926 | 46% | 0.462 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 17.5 | -173.9 | -60.4 | -177.4 | 176.1 | -175.7 | 0 | 116.1 | G197 | G197-K199 PolarHBondContact O-N 2.93Š|
| 200 | T | 51 | Low | 69.2 | Low | 127 Ų | 127 | 85.1 Ų | 85.1 | 78% | 0.779 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -10.1 | -173.5 | 34.6 | 0 | 0 | 0 | 0 | 114.4 | N198 | N198-T200 PolarHBondContact O-N 3.22Š|
| 201 | Q | 51.4 | Low | 69.9 | Low | 104 Ų | 104 | 81 Ų | 81 | 49% | 0.486 | 44% | 0.436 | S | S | . | . | trans | -96 | 123.1 | 174 | -66.1 | -160.6 | 16.2 | 0 | 0 | 111.3 | N205 D208 | Q201-N205 PolarHBondContact OE1-ND2 3.04Å; Q201-D208 PolarHBondContact OE1-OD2 3.48Å | ||
| 202 | R | 47.5 | Very low | 70.1 | Confident | 254 Ų | 254 | 82.4 Ų | 82.4 | 96% | 0.958 | 44% | 0.439 | S | S | * | . | trans | -96.9 | 100.5 | 179.5 | -166.1 | 174.8 | -149.8 | -179.6 | 5.5 | 108.5 | ||||
| 203 | G | 55.4 | Low | 70.1 | Confident | 29 Ų | 29 | 86.3 Ų | 86.3 | 30% | 0.299 | 46% | 0.458 | S | S | . | . | S | Bend | trans | 127.6 | 151.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | N205 | G203-N205 VanDerWaalsContact C-N 3.34Å; G203-N205 PolarHBondContact O-N 3.34Å |
| 204 | N | 60.9 | Low | 70.3 | Confident | 17 Ų | 17 | 90.6 Ų | 90.6 | 9% | 0.091 | 48% | 0.475 | C | S | . | . | trans | -72.3 | 82.2 | 173.8 | -84.8 | -50.6 | 0 | 0 | 0 | 110.4 | L164 M165 R167 E169 V170 T171 L206 | L164-N204 PolarHBondContact O-ND2 3.38Å; L164-N204 VanDerWaalsContact O-ND2 3.15Å; M165-N204 HydrophobicContact CE-CB 4.33Å; M165-N204 HydrophobicContact SD-CB 4.45Å; R167-N204 PolarHBondContact O-ND2 2.91Å; E169-N204 PolarHBondContact O-OD1 3.44Å; E169-N204 VanDerWaalsContact O-OD1 3.12Å; V170-N204 WeakPolarHBondContact CA-OD1 3.38Å; T171-N204 PolarHBondContact N-OD1 3.28Å; T171-N204 PolarHBondContact O-OD1 3Å; N204-L206 PolarHBondContact O-N 3.19Å | ||
| 205 | N | 69.6 | Low | 70.8 | Confident | 79 Ų | 79 | 85.1 Ų | 85.1 | 42% | 0.422 | 45% | 0.45 | S | S | . | . | trans | -73.3 | 115.9 | 171 | -72.2 | -24.9 | 0 | 0 | 0 | 109.6 | Q201 G203 E207 D208 | Q201-N205 PolarHBondContact OE1-ND2 3.04Å; G203-N205 VanDerWaalsContact C-N 3.34Å; G203-N205 PolarHBondContact O-N 3.34Å; N205-E207 VanDerWaalsContact C-N 3.28Å; N205-E207 PolarHBondContact O-N 2.89Å; N205-D208 PolarHBondContact O-N 2.74Å | ||
| 206 | L | 74.9 | Confident | 71.7 | Confident | 35 Ų | 35 | 83.1 Ų | 83.1 | 18% | 0.183 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -65.7 | -26.5 | -175.7 | -79.5 | 134.3 | 0 | 0 | 0 | 114.2 | F155 Y156 T159 N204 D208 W209 | F155-L206 HydrophobicContact CD2-CD2 4.2Å; F155-L206 HydrophobicContact CE2-CB 4.24Å; F155-L206 HydrophobicContact CE2-CD2 4.06Å; Y156-L206 HydrophobicContact CD1-CD1 4.19Å; Y156-L206 HydrophobicContact CD1-CD2 3.94Å; Y156-L206 HydrophobicContact CD1-CG 4.46Å; Y156-L206 HydrophobicContact CE1-CB 4.12Å; Y156-L206 HydrophobicContact CE1-CD1 4.24Å; Y156-L206 HydrophobicContact CE1-CD2 4.3Å; Y156-L206 HydrophobicContact CE1-CG 4.45Å; T159-L206 HydrophobicContact CG2-CD1 3.53Å; T159-L206 HydrophobicContact CG2-CD2 3.51Å; T159-L206 HydrophobicContact CG2-CG 4.06Å; N204-L206 PolarHBondContact O-N 3.19Å; L206-D208 PolarHBondContact O-N 3.04Å; L206-W209 HydrophobicContact CD2-CD2 4.43Å; L206-W209 HydrophobicContact CD2-CE3 4.17Å; L206-W209 HydrophobicContact CD2-CH2 3.91Å; L206-W209 HydrophobicContact CD2-CZ2 4.2Å; L206-W209 HydrophobicContact CD2-CZ3 3.9Å; L206-W209 PolarHBondContact O-N 3.24Å |
| 207 | E | 73.1 | Confident | 73.3 | Confident | 173 Ų | 173 | 80.7 Ų | 80.7 | 81% | 0.808 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -71.5 | -21.4 | -177.6 | -64.4 | -176.7 | 166.5 | 0 | 0 | 112.6 | N205 | N205-E207 VanDerWaalsContact C-N 3.28Å; N205-E207 PolarHBondContact O-N 2.89Å |
| 208 | D | 76.6 | Confident | 75 | Confident | 84 Ų | 84 | 82.8 Ų | 82.8 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -89.2 | -1.4 | 179.9 | -66.1 | -39.8 | 0 | 0 | 0 | 113 | Q201 N205 L206 P210 | Q201-D208 PolarHBondContact OE1-OD2 3.48Å; N205-D208 PolarHBondContact O-N 2.74Å; L206-D208 PolarHBondContact O-N 3.04Å; D208-P210 WeakPolarHBondContact O-CD 3.45Å |
| 209 | W | 84.8 | Confident | 77 | Confident | 7 Ų | 7 | 79.3 Ų | 79.3 | 3% | 0.027 | 38% | 0.382 | C | S | . | . | trans | -71.5 | 123.4 | -176.9 | -75.3 | 10.4 | 0 | 0 | 0 | 111.8 | F155 W158 L164 T171 L206 V211 | F155-W209 HydrophobicContact CD2-CE3 4.14Å; W158-W209 HydrophobicContact CB-CH2 4.11Å; W158-W209 HydrophobicContact CB-CZ3 3.99Å; L164-W209 HydrophobicContact CD2-CH2 3.6Å; L164-W209 HydrophobicContact CD2-CZ2 4.13Å; T171-W209 VanDerWaalsContact O-CZ2 3.29Å; T171-W209 WeakPolarHBondContact O-CZ2 3.37Å; L206-W209 HydrophobicContact CD2-CD2 4.43Å; L206-W209 HydrophobicContact CD2-CE3 4.17Å; L206-W209 HydrophobicContact CD2-CH2 3.91Å; L206-W209 HydrophobicContact CD2-CZ2 4.2Å; L206-W209 HydrophobicContact CD2-CZ3 3.9Å; L206-W209 PolarHBondContact O-N 3.24Å; W209-V211 HydrophobicContact CB-CG1 4.17Å; W209-V211 HydrophobicContact CB-CG2 3.8Å; W209-V211 HydrophobicContact CE3-CG2 4.3Å; W209-V211 PolarHBondContact O-N 3.15Å | ||
| 210 | P | 87.6 | Confident | 78.9 | Confident | 55 Ų | 55 | 72.2 Ų | 72.2 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | trans | -79.8 | 54 | 178 | 35.5 | -36.9 | 0 | 0 | 0 | 111.2 | Y172 N178 D208 | Y172-P210 HydrophobicContact CD1-CG 4.39Å; Y172-P210 HydrophobicContact CE1-CG 3.72Å; Y172-P210 HydrophobicContact CE2-CG 4.19Å; N178-P210 PolarHBondContact N-O 3.42Å; D208-P210 WeakPolarHBondContact O-CD 3.45Å | ||
| 211 | V | 90.1 | Very high | 80.8 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -114.3 | 161.8 | -172.5 | -63.4 | 0 | 0 | 0 | 0 | 113 | F155 Y172 C176 W209 Q213 | F155-V211 HydrophobicContact CB-CG2 4.02Å; F155-V211 HydrophobicContact CD2-CG2 4.21Å; F155-V211 HydrophobicContact CG-CG2 4.18Å; Y172-V211 HydrophobicContact CD2-CG1 3.6Å; Y172-V211 HydrophobicContact CE2-CG1 4.33Å; Y172-V211 HydrophobicContact CG-CG1 4.06Å; C176-V211 HydrophobicContact CB-CB 3.85Å; C176-V211 HydrophobicContact CB-CG1 3.62Å; C176-V211 CarbonylContact O-C 3.52Å; C176-V211 WeakPolarHBondContact O-CA 3.41Å; C176-V211 WeakPolarHBondContact O-CB 3.48Å; W209-V211 HydrophobicContact CB-CG1 4.17Å; W209-V211 HydrophobicContact CB-CG2 3.8Å; W209-V211 HydrophobicContact CE3-CG2 4.3Å; W209-V211 PolarHBondContact O-N 3.15Å; V211-Q213 PolarHBondContact O-N 2.89Å; V211-Q213 PolarHBondContact O-NE2 3.05Å |
| 212 | Y | 90.3 | Very high | 82.8 | Confident | 34 Ų | 34 | 66 Ų | 66 | 13% | 0.133 | 33% | 0.325 | C | S | . | . | trans | -61.1 | 124.1 | 169.2 | -61 | -65.8 | 0 | 0 | 0 | 111 | K148 C150 C176 E177 N178 K214 | K148-Y212 VanDerWaalsContact C-CD2 3.48Å; K148-Y212 VanDerWaalsContact C-CG 3.43Å; K148-Y212 HydrophobicContact CB-CD1 4.05Å; K148-Y212 HydrophobicContact CB-CD2 4.4Å; K148-Y212 HydrophobicContact CB-CE1 3.65Å; K148-Y212 HydrophobicContact CB-CE2 4.04Å; K148-Y212 HydrophobicContact CB-CG 4.41Å; K148-Y212 HydrophobicContact CD-CE1 4.36Å; K148-Y212 HydrophobicContact CG-CE1 4.16Å; K148-Y212 HydrophobicContact CG-CE2 4.4Å; C150-Y212 WeakPolarHBondContact CB-O 3.38Å; C176-Y212 WeakPolarHBondContact O-CD2 3.43Å; C176-Y212 PolarHBondContact O-N 3.45Å; E177-Y212 WeakPolarHBondContact O-CE2 3.14Å; E177-Y212 PolarHBondContact O-OH 2.97Å; N178-Y212 HydrophobicContact CB-CD1 3.97Å; N178-Y212 HydrophobicContact CB-CE1 3.94Å; N178-Y212 HydrophobicContact CB-CG 4.45Å; N178-Y212 VanDerWaalsContact OD1-CE1 3.3Å; N178-Y212 WeakPolarHBondContact OD1-CE1 3.44Å; Y212-K214 PolarHBondContact O-N 3.08Å | ||
| 213 | Q | 88.3 | Confident | 84.9 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | trans | -75.8 | -24.4 | -176.5 | -62.8 | -64.9 | -41.5 | 0 | 0 | 113.1 | V211 | V211-Q213 PolarHBondContact O-N 2.89Å; V211-Q213 PolarHBondContact O-NE2 3.05Å | ||
| 214 | K | 92.1 | Very high | 86.6 | Confident | 102 Ų | 102 | 60.9 Ų | 60.9 | 44% | 0.443 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -85.2 | 137.1 | -179.3 | -67.4 | -165.2 | 171 | -151.3 | 0 | 111.7 | C149 C150 Y212 E218 K219 | C149-K214 WeakPolarHBondContact CA-O 3.43Å; C149-K214 WeakPolarHBondContact CB-O 3.3Å; C150-K214 PolarHBondContact N-O 2.9Å; Y212-K214 PolarHBondContact O-N 3.08Å; K214-E218 IonicContact NZ-OE1 3.49Å; K214-E218 PolarHBondContact NZ-OE1 2.98Å; K214-K219 HydrophobicContact CB-CG 4.39Å |
| 215 | G | 94.3 | Very high | 88 | Confident | 2 Ų | 2 | 66.6 Ų | 66.6 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | trans | -69.8 | 152.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | W152 A153 M217 E218 K219 | W152-G215 CarbonylContact O-C 3.16Å; A153-G215 WeakPolarHBondContact O-CA 3.32Å; G215-M217 VanDerWaalsContact C-N 3.31Å; G215-M217 PolarHBondContact O-N 3.45Å; G215-E218 PolarHBondContact O-N 3.04Å; G215-K219 PolarHBondContact O-N 3.28Å | ||
| 216 | C | 95.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.4 | -31 | -179.2 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | W140 C149 G151 W152 E218 K219 V220 | W140-C216 HydrophobicContact CH2-CB 3.99Å; C149-C216 HydrophobicContact CB-CB 3.87Å; C149-C216 WeakPolarHBondContact CB-SG 3.43Å; C149-C216 WeakPolarHBondContact SG-CA 3.15Å; C149-C216 WeakPolarHBondContact SG-CB 3.19Å; C149-C216 CovalentContact SG-SG 2.03Å; C149-C216 PolarHBondContact SG-SG 3.37Å; G151-C216 WeakPolarHBondContact O-CB 3.41Å; G151-C216 PolarHBondContact O-N 2.96Å; G151-C216 PolarHBondContact O-SG 3.32Å; W152-C216 PolarHBondContact O-N 3.26Å; C216-E218 PolarHBondContact O-N 3.26Å; C216-K219 PolarHBondContact O-N 3.35Å; C216-V220 WeakPolarHBondContact O-CB 3.19Å; C216-V220 WeakPolarHBondContact O-CG2 3.01Å; C216-V220 PolarHBondContact O-N 3.19Å |
| 217 | M | 94.6 | Very high | 90.1 | Very high | 64 Ų | 64 | 70.3 Ų | 70.3 | 32% | 0.315 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 176.3 | -177.1 | -172.9 | 64.2 | 0 | 0 | 111.9 | W152 G215 Q221 | W152-M217 HydrophobicContact CD2-CB 4.05Å; W152-M217 HydrophobicContact CE3-CB 4.49Å; W152-M217 HydrophobicContact CG-CB 4.49Å; W152-M217 HydrophobicContact CH2-CB 4.44Å; W152-M217 HydrophobicContact CZ2-CB 3.98Å; W152-M217 HydrophobicContact CZ2-CG 3.88Å; W152-M217 HydrophobicContact CZ2-SD 4.38Å; W152-M217 VanDerWaalsContact O-CB 3.26Å; W152-M217 WeakPolarHBondContact O-CB 3.14Å; W152-M217 PolarHBondContact O-N 2.04Å; G215-M217 VanDerWaalsContact C-N 3.31Å; G215-M217 PolarHBondContact O-N 3.45Å; M217-Q221 VanDerWaalsContact O-CB 3.26Å; M217-Q221 WeakPolarHBondContact O-CB 2.95Å; M217-Q221 PolarHBondContact O-N 3.38Å |
| 218 | E | 94.3 | Very high | 91 | Very high | 94 Ų | 94 | 65.3 Ų | 65.3 | 44% | 0.439 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -64.5 | -46.8 | 179 | -173.2 | -165.8 | 145.1 | 0 | 0 | 110.6 | K214 G215 C216 Q221 A222 | K214-E218 IonicContact NZ-OE1 3.49Å; K214-E218 PolarHBondContact NZ-OE1 2.98Å; G215-E218 PolarHBondContact O-N 3.04Å; C216-E218 PolarHBondContact O-N 3.26Å; E218-Q221 PolarHBondContact O-N 3.19Å; E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 3.4Å |
| 219 | K | 93.6 | Very high | 91.8 | Very high | 77 Ų | 77 | 64 Ų | 64 | 34% | 0.335 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -63.6 | -44.3 | -179.9 | -76 | -75.8 | -162.4 | 168.9 | 0 | 112.8 | V147 C149 K214 G215 C216 Q221 A222 W223 | V147-K219 HydrophobicContact CG1-CB 3.45Å; V147-K219 VanDerWaalsContact CG1-CB 3.45Å; V147-K219 HydrophobicContact CG1-CG 4.32Å; C149-K219 HydrophobicContact CB-CB 4.36Å; C149-K219 HydrophobicContact CB-CG 4.04Å; K214-K219 HydrophobicContact CB-CG 4.39Å; G215-K219 PolarHBondContact O-N 3.28Å; C216-K219 PolarHBondContact O-N 3.35Å; K219-Q221 VanDerWaalsContact C-N 3.32Å; K219-A222 PolarHBondContact O-N 3.11Å; K219-W223 WeakPolarHBondContact O-CB 3.31Å; K219-W223 PolarHBondContact O-N 2.88Å |
| 220 | V | 91.8 | Very high | 92.3 | Very high | 63 Ų | 63 | 69 Ų | 69 | 38% | 0.382 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 176.1 | 170.7 | 0 | 0 | 0 | 0 | 110.4 | V147 C216 L224 | V147-V220 HydrophobicContact CG1-CG2 4.35Å; C216-V220 WeakPolarHBondContact O-CB 3.19Å; C216-V220 WeakPolarHBondContact O-CG2 3.01Å; C216-V220 PolarHBondContact O-N 3.19Å; V220-L224 VanDerWaalsContact O-CB 3.26Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 PolarHBondContact O-N 2.95Å |
| 221 | Q | 91.5 | Very high | 92.5 | Very high | 67 Ų | 67 | 69.7 Ų | 69.7 | 31% | 0.313 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -64.5 | -43 | 176 | 178.9 | 175.4 | -39.7 | 0 | 0 | 112.1 | K114 M217 E218 K219 L224 Q225 | K114-Q221 VanDerWaalsContact NZ-CD 3.3Å; M217-Q221 VanDerWaalsContact O-CB 3.26Å; M217-Q221 WeakPolarHBondContact O-CB 2.95Å; M217-Q221 PolarHBondContact O-N 3.38Å; E218-Q221 PolarHBondContact O-N 3.19Å; K219-Q221 VanDerWaalsContact C-N 3.32Å; Q221-L224 PolarHBondContact O-N 2.75Å; Q221-Q225 WeakPolarHBondContact O-CG 3.27Å; Q221-Q225 PolarHBondContact O-N 3.05Å |
| 222 | A | 93.3 | Very high | 92.6 | Very high | 35 Ų | 35 | 74.5 Ų | 74.5 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62 | -49.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.9 | E218 K219 L224 Q225 E226 | E218-A222 WeakPolarHBondContact O-CB 3.34Å; E218-A222 PolarHBondContact O-N 3.4Å; K219-A222 PolarHBondContact O-N 3.11Å; A222-L224 VanDerWaalsContact C-N 3.28Å; A222-L224 PolarHBondContact O-N 2.61Å; A222-Q225 PolarHBondContact O-N 2.99Å; A222-Q225 VanDerWaalsContact O-N 3.12Å; A222-E226 WeakPolarHBondContact O-CG 3.47Å; A222-E226 PolarHBondContact O-N 3.2Å |
| 223 | W | 91.1 | Very high | 92.9 | Very high | 145 Ų | 145 | 75 Ų | 75 | 55% | 0.549 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -57.8 | -42.7 | 175.7 | -178.4 | 87.4 | 0 | 0 | 0 | 111.8 | K219 Q225 E226 N227 I231 | K219-W223 WeakPolarHBondContact O-CB 3.31Å; K219-W223 PolarHBondContact O-N 2.88Å; W223-Q225 PolarHBondContact O-N 3.4Å; W223-E226 PolarHBondContact O-N 3.26Å; W223-N227 HydrophobicContact CH2-CB 4.39Å; W223-N227 HydrophobicContact CZ2-CB 4.22Å; W223-N227 PolarHBondContact NE1-ND2 3.21Å; W223-N227 WeakPolarHBondContact O-CB 3.32Å; W223-N227 PolarHBondContact O-N 3.43Å; W223-N227 PolarHBondContact O-ND2 3.06Å; W223-I231 HydrophobicContact CH2-CD1 4.22Å; W223-I231 HydrophobicContact CZ3-CD1 3.97Å |
| 224 | L | 90.6 | Very high | 93.2 | Very high | 30 Ų | 30 | 74 Ų | 74 | 16% | 0.157 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -63.1 | -41.8 | 177.5 | 179.1 | 66.5 | 0 | 0 | 0 | 111.5 | F106 M110 V220 Q221 A222 N227 L228 I231 | F106-L224 HydrophobicContact CE1-CD2 4.4Å; F106-L224 HydrophobicContact CZ-CD1 3.94Å; F106-L224 HydrophobicContact CZ-CD2 3.67Å; F106-L224 HydrophobicContact CZ-CG 4.43Å; M110-L224 HydrophobicContact CE-CD2 3.59Å; V220-L224 VanDerWaalsContact O-CB 3.26Å; V220-L224 WeakPolarHBondContact O-CB 3.4Å; V220-L224 PolarHBondContact O-N 2.95Å; Q221-L224 PolarHBondContact O-N 2.75Å; A222-L224 VanDerWaalsContact C-N 3.28Å; A222-L224 PolarHBondContact O-N 2.61Å; L224-N227 PolarHBondContact O-N 3.47Å; L224-L228 HydrophobicContact CD1-CD1 4.17Å; L224-L228 HydrophobicContact CG-CD1 4.32Å; L224-L228 VanDerWaalsContact O-CA 3.29Å; L224-L228 WeakPolarHBondContact O-CA 3.45Å; L224-L228 VanDerWaalsContact O-CB 3.23Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.41Å; L224-I231 HydrophobicContact CD1-CD1 3.65Å |
| 225 | Q | 91.6 | Very high | 93.3 | Very high | 136 Ų | 136 | 70.2 Ų | 70.2 | 64% | 0.636 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -65.9 | -40 | 178.2 | -75.6 | -178.2 | -35.6 | 0 | 0 | 112 | Q221 A222 W223 | Q221-Q225 WeakPolarHBondContact O-CG 3.27Å; Q221-Q225 PolarHBondContact O-N 3.05Å; A222-Q225 PolarHBondContact O-N 2.99Å; A222-Q225 VanDerWaalsContact O-N 3.12Å; W223-Q225 PolarHBondContact O-N 3.4Å |
| 226 | E | 94.3 | Very high | 93.4 | Very high | 153 Ų | 153 | 74.7 Ų | 74.7 | 72% | 0.715 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -66.9 | -38.1 | 176.8 | -71.3 | 173.4 | -178.6 | 0 | 0 | 112.2 | A222 W223 | A222-E226 WeakPolarHBondContact O-CG 3.47Å; A222-E226 PolarHBondContact O-N 3.2Å; W223-E226 PolarHBondContact O-N 3.26Å |
| 227 | N | 93.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 76.2 Ų | 76.2 | 21% | 0.214 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -102.2 | 3.7 | -174.1 | -64.8 | -82.7 | 0 | 0 | 0 | 113.8 | W223 L224 G229 I230 I231 | W223-N227 HydrophobicContact CH2-CB 4.39Å; W223-N227 HydrophobicContact CZ2-CB 4.22Å; W223-N227 PolarHBondContact NE1-ND2 3.21Å; W223-N227 WeakPolarHBondContact O-CB 3.32Å; W223-N227 PolarHBondContact O-N 3.43Å; W223-N227 PolarHBondContact O-ND2 3.06Å; L224-N227 PolarHBondContact O-N 3.47Å; N227-G229 PolarHBondContact O-N 2.79Å; N227-I230 PolarHBondContact O-N 2.75Å; N227-I231 HydrophobicContact CB-CD1 4.47Å; N227-I231 WeakPolarHBondContact O-CG1 3.36Å; N227-I231 PolarHBondContact O-N 2.9Å; N227-I231 VanDerWaalsContact O-N 3.08Å |
| 228 | L | 91.5 | Very high | 93.4 | Very high | 68 Ų | 68 | 76 Ų | 76 | 36% | 0.356 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.1 | -41.3 | -175.4 | -166.7 | 73.1 | 0 | 0 | 0 | 111.7 | L224 I230 I231 L232 | L224-L228 HydrophobicContact CD1-CD1 4.17Å; L224-L228 HydrophobicContact CG-CD1 4.32Å; L224-L228 VanDerWaalsContact O-CA 3.29Å; L224-L228 WeakPolarHBondContact O-CA 3.45Å; L224-L228 VanDerWaalsContact O-CB 3.23Å; L224-L228 WeakPolarHBondContact O-CB 3.48Å; L224-L228 PolarHBondContact O-N 3.41Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 PolarHBondContact O-N 3.1Å; L228-I231 PolarHBondContact O-N 3.47Å; L228-L232 HydrophobicContact CD2-CD1 4.28Å; L228-L232 HydrophobicContact CG-CD1 3.99Å; L228-L232 HydrophobicContact CG-CG 4.33Å; L228-L232 WeakPolarHBondContact O-CB 3.35Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 3.19Å |
| 229 | G | 93.1 | Very high | 93.5 | Very high | 57 Ų | 57 | 72.5 Ų | 72.5 | 59% | 0.588 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -60.9 | -40.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | N227 G233 | N227-G229 PolarHBondContact O-N 2.79Å; G229-G233 PolarHBondContact O-N 2.94Å |
| 230 | I | 95.1 | Very high | 93.6 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 57% | 0.569 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.3 | -46.5 | 177.7 | -61 | 172.6 | 0 | 0 | 0 | 109.8 | N227 L228 L232 G233 V234 | N227-I230 PolarHBondContact O-N 2.75Å; L228-I230 VanDerWaalsContact C-N 3.33Å; L228-I230 PolarHBondContact O-N 3.1Å; I230-L232 PolarHBondContact O-N 2.85Å; I230-G233 PolarHBondContact O-N 2.72Å; I230-V234 HydrophobicContact CG2-CG2 4.4Å; I230-V234 WeakPolarHBondContact O-CG2 3.41Å; I230-V234 PolarHBondContact O-N 3.32Å |
| 231 | I | 92.3 | Very high | 93.7 | Very high | 70 Ų | 70 | 72.7 Ų | 72.7 | 36% | 0.359 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -60.9 | -48 | -179.2 | -64.9 | 165.2 | 0 | 0 | 0 | 110.7 | W223 L224 N227 L228 G233 V234 G235 | W223-I231 HydrophobicContact CH2-CD1 4.22Å; W223-I231 HydrophobicContact CZ3-CD1 3.97Å; L224-I231 HydrophobicContact CD1-CD1 3.65Å; N227-I231 HydrophobicContact CB-CD1 4.47Å; N227-I231 WeakPolarHBondContact O-CG1 3.36Å; N227-I231 PolarHBondContact O-N 2.9Å; N227-I231 VanDerWaalsContact O-N 3.08Å; L228-I231 PolarHBondContact O-N 3.47Å; I231-G233 VanDerWaalsContact C-N 3.34Å; I231-G233 PolarHBondContact O-N 3.04Å; I231-V234 PolarHBondContact O-N 2.8Å; I231-G235 PolarHBondContact O-N 3.12Å |
| 232 | L | 92.8 | Very high | 93.8 | Very high | 104 Ų | 104 | 70.2 Ų | 70.2 | 55% | 0.545 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 176.1 | -69.8 | 176.2 | 0 | 0 | 0 | 111.5 | L228 I230 G235 V236 | L228-L232 HydrophobicContact CD2-CD1 4.28Å; L228-L232 HydrophobicContact CG-CD1 3.99Å; L228-L232 HydrophobicContact CG-CG 4.33Å; L228-L232 WeakPolarHBondContact O-CB 3.35Å; L228-L232 WeakPolarHBondContact O-CG 3.46Å; L228-L232 PolarHBondContact O-N 3.19Å; I230-L232 PolarHBondContact O-N 2.85Å; L232-G235 PolarHBondContact O-N 2.94Å; L232-V236 WeakPolarHBondContact O-CG2 3.37Å; L232-V236 PolarHBondContact O-N 3.44Å |
| 233 | G | 95.3 | Very high | 93.9 | Very high | 44 Ų | 44 | 72.7 Ų | 72.7 | 45% | 0.454 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.8 | -47.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | G229 I230 I231 V236 G237 | G229-G233 PolarHBondContact O-N 2.94Å; I230-G233 PolarHBondContact O-N 2.72Å; I231-G233 VanDerWaalsContact C-N 3.34Å; I231-G233 PolarHBondContact O-N 3.04Å; G233-V236 PolarHBondContact O-N 3.29Å; G233-G237 PolarHBondContact O-N 2.6Å |
| 234 | V | 95.3 | Very high | 94 | Very high | 92 Ų | 92 | 70.4 Ų | 70.4 | 56% | 0.558 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.1 | -45.7 | 175.1 | 172.5 | 0 | 0 | 0 | 0 | 110.5 | I230 I231 G237 V238 | I230-V234 HydrophobicContact CG2-CG2 4.4Å; I230-V234 WeakPolarHBondContact O-CG2 3.41Å; I230-V234 PolarHBondContact O-N 3.32Å; I231-V234 PolarHBondContact O-N 2.8Å; V234-G237 PolarHBondContact O-N 3.41Å; V234-V238 WeakPolarHBondContact O-CG2 3.32Å; V234-V238 PolarHBondContact O-N 2.84Å |
| 235 | G | 94.6 | Very high | 94 | Very high | 22 Ų | 22 | 69 Ų | 69 | 23% | 0.227 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -57.2 | -52 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q99 I231 L232 G237 V238 A239 | Q99-G235 VanDerWaalsContact NE2-C 3.29Å; Q99-G235 PolarHBondContact NE2-O 3.14Å; I231-G235 PolarHBondContact O-N 3.12Å; L232-G235 PolarHBondContact O-N 2.94Å; G235-G237 VanDerWaalsContact C-N 3.28Å; G235-G237 PolarHBondContact O-N 3.4Å; G235-V238 PolarHBondContact O-N 2.84Å; G235-A239 PolarHBondContact O-N 3.13Å |
| 236 | V | 95.8 | Very high | 94.2 | Very high | 95 Ų | 95 | 63 Ų | 63 | 58% | 0.576 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -60.5 | -40.2 | 177.6 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | L232 G233 V238 A239 V240 | L232-V236 WeakPolarHBondContact O-CG2 3.37Å; L232-V236 PolarHBondContact O-N 3.44Å; G233-V236 PolarHBondContact O-N 3.29Å; V236-V238 PolarHBondContact O-N 3.07Å; V236-A239 PolarHBondContact O-N 3.14Å; V236-V240 HydrophobicContact CG1-CG2 4.34Å; V236-V240 WeakPolarHBondContact O-CG2 3.08Å; V236-V240 PolarHBondContact O-N 3.36Å |
| 237 | G | 96 | Very high | 94.1 | Very high | 33 Ų | 33 | 59.8 Ų | 59.8 | 34% | 0.34 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.2 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G233 V234 G235 V240 I241 | G233-G237 PolarHBondContact O-N 2.6Å; V234-G237 PolarHBondContact O-N 3.41Å; G235-G237 VanDerWaalsContact C-N 3.28Å; G235-G237 PolarHBondContact O-N 3.4Å; G237-V240 PolarHBondContact O-N 3.4Å; G237-I241 WeakPolarHBondContact O-CG1 3.02Å; G237-I241 PolarHBondContact O-N 2.83Å |
| 238 | V | 94.3 | Very high | 93.9 | Very high | 61 Ų | 61 | 59.3 Ų | 59.3 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 174.9 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | V234 G235 V236 V240 I241 E242 | V234-V238 WeakPolarHBondContact O-CG2 3.32Å; V234-V238 PolarHBondContact O-N 2.84Å; G235-V238 PolarHBondContact O-N 2.84Å; V236-V238 PolarHBondContact O-N 3.07Å; V238-V240 VanDerWaalsContact C-N 3.32Å; V238-V240 PolarHBondContact O-N 3.36Å; V238-I241 WeakPolarHBondContact O-CB 3.4Å; V238-I241 PolarHBondContact O-N 2.84Å; V238-I241 VanDerWaalsContact O-N 3.11Å; V238-E242 HydrophobicContact CG1-CG 4.36Å; V238-E242 WeakPolarHBondContact O-CG 3.36Å; V238-E242 PolarHBondContact O-N 3.11Å |
| 239 | A | 95.9 | Very high | 93.9 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.2 | -39.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | L96 G235 V236 E242 L243 | L96-A239 HydrophobicContact CD1-CB 3.8Å; G235-A239 PolarHBondContact O-N 3.13Å; V236-A239 PolarHBondContact O-N 3.14Å; A239-E242 PolarHBondContact O-N 2.96Å; A239-L243 WeakPolarHBondContact O-CB 3.45Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.18Å; A239-L243 PolarHBondContact O-N 3.2Å |
| 240 | V | 95.9 | Very high | 93.8 | Very high | 74 Ų | 74 | 57 Ų | 57 | 45% | 0.448 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 175.2 | 170 | 0 | 0 | 0 | 0 | 111 | V236 G237 V238 E242 L243 L244 | V236-V240 HydrophobicContact CG1-CG2 4.34Å; V236-V240 WeakPolarHBondContact O-CG2 3.08Å; V236-V240 PolarHBondContact O-N 3.36Å; G237-V240 PolarHBondContact O-N 3.4Å; V238-V240 VanDerWaalsContact C-N 3.32Å; V238-V240 PolarHBondContact O-N 3.36Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.16Å; V240-L243 PolarHBondContact O-N 3.22Å; V240-L244 HydrophobicContact CG1-CD1 4.14Å; V240-L244 VanDerWaalsContact O-CG 3.3Å; V240-L244 WeakPolarHBondContact O-CG 3.39Å; V240-L244 PolarHBondContact O-N 3.02Å |
| 241 | I | 93.1 | Very high | 93.5 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60 | -44.4 | 176.3 | -78.9 | 166.7 | 0 | 0 | 0 | 111.2 | F16 F20 G237 V238 L244 G245 | F16-I241 HydrophobicContact CE1-CG2 3.93Å; F16-I241 HydrophobicContact CZ-CB 4.42Å; F16-I241 HydrophobicContact CZ-CG1 4.33Å; F16-I241 HydrophobicContact CZ-CG2 3.56Å; F20-I241 HydrophobicContact CZ-CG2 4.08Å; G237-I241 WeakPolarHBondContact O-CG1 3.02Å; G237-I241 PolarHBondContact O-N 2.83Å; V238-I241 WeakPolarHBondContact O-CB 3.4Å; V238-I241 PolarHBondContact O-N 2.84Å; V238-I241 VanDerWaalsContact O-N 3.11Å; I241-L244 PolarHBondContact O-N 3.23Å; I241-G245 PolarHBondContact O-N 3.48Å |
| 242 | E | 94.4 | Very high | 93.2 | Very high | 15 Ų | 15 | 50.6 Ų | 50.6 | 7% | 0.07 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63 | -44.9 | 177.5 | -69.5 | 177.5 | 161.2 | 0 | 0 | 111.9 | L92 I95 L96 V238 A239 V240 L244 G245 M246 | L92-E242 HydrophobicContact CD2-CG 4.32Å; I95-E242 WeakPolarHBondContact CG2-OE1 3.33Å; L96-E242 WeakPolarHBondContact CA-OE2 3.02Å; L96-E242 WeakPolarHBondContact CB-OE2 3.38Å; L96-E242 WeakPolarHBondContact CD1-OE2 3.26Å; V238-E242 HydrophobicContact CG1-CG 4.36Å; V238-E242 WeakPolarHBondContact O-CG 3.36Å; V238-E242 PolarHBondContact O-N 3.11Å; A239-E242 PolarHBondContact O-N 2.96Å; V240-E242 VanDerWaalsContact C-N 3.34Å; V240-E242 PolarHBondContact O-N 3.16Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.28Å; E242-G245 PolarHBondContact O-N 2.98Å; E242-M246 WeakPolarHBondContact O-CB 3.46Å; E242-M246 WeakPolarHBondContact O-CG 3.43Å; E242-M246 PolarHBondContact O-N 3Å |
| 243 | L | 95.1 | Very high | 93 | Very high | 86 Ų | 86 | 47.3 Ų | 47.3 | 45% | 0.45 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.2 | -43.7 | 175.7 | -73.9 | 168.9 | 0 | 0 | 0 | 111.8 | L96 A239 V240 M246 V247 | L96-L243 HydrophobicContact CD2-CD2 3.87Å; L96-L243 HydrophobicContact CD2-CG 4.3Å; A239-L243 WeakPolarHBondContact O-CB 3.45Å; A239-L243 VanDerWaalsContact O-CG 3.25Å; A239-L243 WeakPolarHBondContact O-CG 3.18Å; A239-L243 PolarHBondContact O-N 3.2Å; V240-L243 PolarHBondContact O-N 3.22Å; L243-M246 HydrophobicContact CD2-CE 3.83Å; L243-M246 HydrophobicContact CG-CE 4.35Å; L243-M246 PolarHBondContact O-N 3.39Å; L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.18Å; L243-V247 PolarHBondContact O-N 3.39Å |
| 244 | L | 93 | Very high | 92.6 | Very high | 97 Ų | 97 | 54.2 Ų | 54.2 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.8 | -47.7 | 175.2 | -70.8 | 172 | 0 | 0 | 0 | 111.1 | V240 I241 E242 M246 V247 L248 | V240-L244 HydrophobicContact CG1-CD1 4.14Å; V240-L244 VanDerWaalsContact O-CG 3.3Å; V240-L244 WeakPolarHBondContact O-CG 3.39Å; V240-L244 PolarHBondContact O-N 3.02Å; I241-L244 PolarHBondContact O-N 3.23Å; E242-L244 VanDerWaalsContact C-N 3.33Å; E242-L244 PolarHBondContact O-N 3.28Å; L244-M246 VanDerWaalsContact C-N 3.3Å; L244-M246 PolarHBondContact O-N 3.49Å; L244-V247 PolarHBondContact O-N 2.89Å; L244-L248 WeakPolarHBondContact O-CB 3.17Å; L244-L248 WeakPolarHBondContact O-CD1 3.29Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 2.98Å |
| 245 | G | 92.2 | Very high | 92 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.6 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | I241 E242 S249 | I241-G245 PolarHBondContact O-N 3.48Å; E242-G245 PolarHBondContact O-N 2.98Å; G245-S249 WeakPolarHBondContact O-CB 3.08Å; G245-S249 PolarHBondContact O-N 2.96Å |
| 246 | M | 94.1 | Very high | 91.5 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.054 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65 | -46.6 | 176.9 | -79.8 | -166.5 | -73.8 | 0 | 0 | 113.1 | F89 L92 L93 L96 E242 L243 L244 S249 I250 | F89-M246 HydrophobicContact CD2-CB 3.73Å; F89-M246 HydrophobicContact CD2-CG 3.63Å; F89-M246 HydrophobicContact CD2-SD 4.15Å; F89-M246 HydrophobicContact CE2-CB 3.69Å; F89-M246 HydrophobicContact CE2-CG 3.72Å; F89-M246 HydrophobicContact CE2-SD 3.73Å; F89-M246 HydrophobicContact CZ-SD 4.26Å; L92-M246 HydrophobicContact CB-CG 3.67Å; L92-M246 HydrophobicContact CB-SD 4.21Å; L92-M246 HydrophobicContact CD1-CG 3.97Å; L93-M246 HydrophobicContact CB-SD 3.92Å; L93-M246 HydrophobicContact CD1-SD 4.21Å; L96-M246 HydrophobicContact CB-CE 4.39Å; L96-M246 HydrophobicContact CD2-CE 3.57Å; E242-M246 WeakPolarHBondContact O-CB 3.46Å; E242-M246 WeakPolarHBondContact O-CG 3.43Å; E242-M246 PolarHBondContact O-N 3Å; L243-M246 HydrophobicContact CD2-CE 3.83Å; L243-M246 HydrophobicContact CG-CE 4.35Å; L243-M246 PolarHBondContact O-N 3.39Å; L244-M246 VanDerWaalsContact C-N 3.3Å; L244-M246 PolarHBondContact O-N 3.49Å; M246-S249 PolarHBondContact O-N 2.79Å; M246-I250 WeakPolarHBondContact O-CG1 3.12Å; M246-I250 PolarHBondContact O-N 3.28Å |
| 247 | V | 92.5 | Very high | 90.9 | Very high | 85 Ų | 85 | 51 Ų | 51 | 52% | 0.515 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -45.2 | 178 | 169.6 | 0 | 0 | 0 | 0 | 110.7 | L243 L244 I250 C251 | L243-V247 VanDerWaalsContact O-CG2 3.31Å; L243-V247 WeakPolarHBondContact O-CG2 3.18Å; L243-V247 PolarHBondContact O-N 3.39Å; L244-V247 PolarHBondContact O-N 2.89Å; V247-I250 PolarHBondContact O-N 2.96Å; V247-C251 WeakPolarHBondContact O-CB 3.18Å; V247-C251 PolarHBondContact O-N 3.41Å; V247-C251 PolarHBondContact O-SG 3.08Å |
| 248 | L | 90.8 | Very high | 90.1 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 16% | 0.162 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 178.9 | -65.3 | 168.5 | 0 | 0 | 0 | 111.3 | T9 F12 L13 L244 C251 L252 | T9-L248 HydrophobicContact CG2-CB 4.46Å; T9-L248 HydrophobicContact CG2-CD2 3.79Å; F12-L248 HydrophobicContact CD1-CD1 3.72Å; F12-L248 HydrophobicContact CE1-CD1 3.79Å; L13-L248 HydrophobicContact CD1-CB 3.96Å; L13-L248 HydrophobicContact CD1-CD1 4.37Å; L244-L248 WeakPolarHBondContact O-CB 3.17Å; L244-L248 WeakPolarHBondContact O-CD1 3.29Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 2.98Å; L248-C251 PolarHBondContact O-N 3.33Å; L248-L252 WeakPolarHBondContact O-CB 3.03Å; L248-L252 PolarHBondContact O-N 2.98Å |
| 249 | S | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.3 | -49.2 | 175.8 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | L85 G245 M246 L252 C253 | L85-S249 WeakPolarHBondContact CD2-O 3.22Å; L85-S249 VanDerWaalsContact CG-OG 3.32Å; L85-S249 WeakPolarHBondContact CG-OG 3.27Å; L85-S249 PolarHBondContact O-OG 2.76Å; G245-S249 WeakPolarHBondContact O-CB 3.08Å; G245-S249 PolarHBondContact O-N 2.96Å; M246-S249 PolarHBondContact O-N 2.79Å; S249-L252 PolarHBondContact O-N 3.45Å; S249-C253 VanDerWaalsContact O-CB 3.29Å; S249-C253 WeakPolarHBondContact O-CB 3.45Å; S249-C253 PolarHBondContact O-N 3.43Å |
| 250 | I | 90.2 | Very high | 88.5 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 39% | 0.385 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.1 | -70.7 | 168.7 | 0 | 0 | 0 | 111.2 | F89 M246 V247 L252 C253 R254 | F89-I250 HydrophobicContact CD2-CD1 3.77Å; F89-I250 HydrophobicContact CD2-CG1 3.74Å; F89-I250 HydrophobicContact CE2-CD1 3.22Å; F89-I250 HydrophobicContact CE2-CG1 3.77Å; F89-I250 HydrophobicContact CG-CG1 4.43Å; F89-I250 HydrophobicContact CZ-CD1 3.74Å; F89-I250 HydrophobicContact CZ-CG1 4.45Å; M246-I250 WeakPolarHBondContact O-CG1 3.12Å; M246-I250 PolarHBondContact O-N 3.28Å; V247-I250 PolarHBondContact O-N 2.96Å; I250-L252 VanDerWaalsContact C-N 3.31Å; I250-L252 PolarHBondContact O-N 3.15Å; I250-C253 PolarHBondContact O-N 3.3Å; I250-R254 HydrophobicContact CG2-CG 4.19Å; I250-R254 WeakPolarHBondContact O-CG 3.45Å; I250-R254 PolarHBondContact O-N 3.35Å |
| 251 | C | 88.5 | Confident | 87.3 | Confident | 44 Ų | 44 | 60.3 Ų | 60.3 | 30% | 0.297 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -57 | -46.8 | 179.8 | -74.2 | 0 | 0 | 0 | 0 | 111.3 | M1 V247 L248 H255 | M1-C251 HydrophobicContact CE-CB 4.49Å; V247-C251 WeakPolarHBondContact O-CB 3.18Å; V247-C251 PolarHBondContact O-N 3.41Å; V247-C251 PolarHBondContact O-SG 3.08Å; L248-C251 PolarHBondContact O-N 3.33Å; C251-H255 PolarHBondContact O-N 3.27Å; C251-H255 VanDerWaalsContact O-N 3.14Å |
| 252 | L | 87.6 | Confident | 86.5 | Confident | 2 Ų | 2 | 61.3 Ų | 61.3 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -68.5 | -40.3 | 178.1 | -175.7 | 67.1 | 0 | 0 | 0 | 111.4 | K10 L13 A77 L85 L248 S249 I250 R254 H255 V256 | K10-L252 HydrophobicContact CB-CD1 4.32Å; L13-L252 HydrophobicContact CD2-CD2 3.96Å; A77-L252 HydrophobicContact CB-CD2 4.26Å; L85-L252 HydrophobicContact CD1-CD2 4.38Å; L85-L252 HydrophobicContact CD2-CB 3.87Å; L85-L252 HydrophobicContact CD2-CD2 3.98Å; L85-L252 HydrophobicContact CD2-CG 3.89Å; L248-L252 WeakPolarHBondContact O-CB 3.03Å; L248-L252 PolarHBondContact O-N 2.98Å; S249-L252 PolarHBondContact O-N 3.45Å; I250-L252 VanDerWaalsContact C-N 3.31Å; I250-L252 PolarHBondContact O-N 3.15Å; L252-R254 PolarHBondContact O-N 3.03Å; L252-H255 WeakPolarHBondContact O-CB 3.3Å; L252-H255 PolarHBondContact O-N 2.78Å; L252-V256 WeakPolarHBondContact O-CG2 3.19Å; L252-V256 PolarHBondContact O-N 2.75Å |
| 253 | C | 87.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 24% | 0.236 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.1 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | L85 S249 I250 H255 V256 H257 | L85-C253 HydrophobicContact CD2-CB 3.76Å; L85-C253 HydrophobicContact CG-CB 4.39Å; S249-C253 VanDerWaalsContact O-CB 3.29Å; S249-C253 WeakPolarHBondContact O-CB 3.45Å; S249-C253 PolarHBondContact O-N 3.43Å; I250-C253 PolarHBondContact O-N 3.3Å; C253-H255 VanDerWaalsContact C-N 3.31Å; C253-H255 PolarHBondContact O-N 3.18Å; C253-V256 PolarHBondContact O-N 2.67Å; C253-H257 PolarHBondContact O-N 3.36Å |
| 254 | R | 86.7 | Confident | 84.7 | Confident | 190 Ų | 190 | 67.4 Ų | 67.4 | 72% | 0.717 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -64.7 | -35.3 | 176.3 | -70.8 | -175.3 | 75.9 | 167.3 | 5 | 112.4 | I250 L252 H257 S258 | I250-R254 HydrophobicContact CG2-CG 4.19Å; I250-R254 WeakPolarHBondContact O-CG 3.45Å; I250-R254 PolarHBondContact O-N 3.35Å; L252-R254 PolarHBondContact O-N 3.03Å; R254-H257 WeakPolarHBondContact O-CB 3.17Å; R254-H257 PolarHBondContact O-N 3.02Å; R254-S258 PolarHBondContact O-N 3.3Å |
| 255 | H | 84.3 | Confident | 83.3 | Confident | 46 Ų | 46 | 66.5 Ų | 66.5 | 21% | 0.213 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.8 | -51.9 | 175.6 | 179.6 | -91.3 | 0 | 0 | 0 | 111.6 | I6 C251 L252 C253 H257 S258 E259 | I6-H255 WeakPolarHBondContact CD1-CD2 3.39Å; I6-H255 HydrophobicContact CG2-CB 4.3Å; C251-H255 PolarHBondContact O-N 3.27Å; C251-H255 VanDerWaalsContact O-N 3.14Å; L252-H255 WeakPolarHBondContact O-CB 3.3Å; L252-H255 PolarHBondContact O-N 2.78Å; C253-H255 VanDerWaalsContact C-N 3.31Å; C253-H255 PolarHBondContact O-N 3.18Å; H255-H257 PolarHBondContact O-N 2.81Å; H255-S258 WeakPolarHBondContact O-CB 3.06Å; H255-S258 PolarHBondContact O-N 3.05Å; H255-E259 IonicContact CE1-OE1 3.32Å; H255-E259 IonicContact CE1-OE2 2.58Å; H255-E259 PolarHBondContact CE1-OE2 3.34Å; H255-E259 VanDerWaalsContact CE1-OE2 3.32Å; H255-E259 IonicContact ND1-OE2 2.72Å; H255-E259 PolarHBondContact O-N 3.04Å |
| 256 | V | 84.2 | Confident | 82.2 | Confident | 9 Ų | 9 | 76.4 Ų | 76.4 | 6% | 0.055 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -56.9 | -36.3 | 176.5 | -179.9 | 0 | 0 | 0 | 0 | 110.2 | E80 R82 L252 C253 E259 D260 | E80-V256 HydrophobicContact CB-CG1 4.38Å; E80-V256 HydrophobicContact CB-CG2 3.76Å; E80-V256 HydrophobicContact CG-CG2 4.06Å; E80-V256 WeakPolarHBondContact O-CG1 3.38Å; R82-V256 HydrophobicContact CG-CB 4.19Å; R82-V256 HydrophobicContact CG-CG1 3.81Å; R82-V256 PolarHBondContact NH2-O 3.2Å; L252-V256 WeakPolarHBondContact O-CG2 3.19Å; L252-V256 PolarHBondContact O-N 2.75Å; C253-V256 PolarHBondContact O-N 2.67Å; V256-E259 PolarHBondContact O-N 3.04Å; V256-D260 PolarHBondContact O-N 2.98Å |
| 257 | H | 82.3 | Confident | 80.6 | Confident | 85 Ų | 85 | 88.8 Ų | 88.8 | 39% | 0.394 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -55.9 | -53.5 | 171 | -162.9 | 82.1 | 0 | 0 | 0 | 113.8 | R82 C253 R254 H255 E259 D260 Y261 | R82-H257 PolarHBondContact NH1-ND1 3.47Å; R82-H257 VanDerWaalsContact NH1-ND1 3.16Å; C253-H257 PolarHBondContact O-N 3.36Å; R254-H257 WeakPolarHBondContact O-CB 3.17Å; R254-H257 PolarHBondContact O-N 3.02Å; H255-H257 PolarHBondContact O-N 2.81Å; H257-E259 VanDerWaalsContact C-N 3.29Å; H257-E259 PolarHBondContact O-N 3.04Å; H257-D260 PolarHBondContact O-N 3.12Å; H257-Y261 AromaticContact CD2-CD2 3.79Å; H257-Y261 AromaticContact CD2-CE2 3.78Å; H257-Y261 AromaticContact CE1-CD2 3.89Å; H257-Y261 AromaticContact CE1-CE2 3.18Å; H257-Y261 WeakPolarHBondContact CE1-CE2 3.35Å; H257-Y261 AromaticContact ND1-CE2 3.88Å; H257-Y261 AromaticContact NE2-CD2 3.58Å; H257-Y261 AromaticContact NE2-CE2 3.08Å; H257-Y261 WeakPolarHBondContact NE2-CE2 3.03Å; H257-Y261 AromaticContact NE2-CZ 3.77Å; H257-Y261 WeakPolarHBondContact O-CD2 3.33Å; H257-Y261 PolarHBondContact O-N 3.33Å |
| 258 | S | 79.6 | Confident | 80 | Confident | 79 Ų | 79 | 89 Ų | 89 | 55% | 0.552 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -60.8 | -38.5 | 179.9 | -170.4 | 0 | 0 | 0 | 0 | 112.7 | R254 H255 S262 | R254-S258 PolarHBondContact O-N 3.3Å; H255-S258 WeakPolarHBondContact O-CB 3.06Å; H255-S258 PolarHBondContact O-N 3.05Å; S258-S262 PolarHBondContact O-N 2.98Å; S258-S262 VanDerWaalsContact O-N 3.13Å |
| 259 | E | 78.3 | Confident | 79.4 | Confident | 71 Ų | 71 | 92 Ų | 92 | 33% | 0.332 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.1 | -44.7 | -179.5 | -77.1 | -161.8 | 126.6 | 0 | 0 | 112.7 | H255 V256 H257 Y261 S262 K263 | H255-E259 IonicContact CE1-OE1 3.32Å; H255-E259 IonicContact CE1-OE2 2.58Å; H255-E259 PolarHBondContact CE1-OE2 3.34Å; H255-E259 VanDerWaalsContact CE1-OE2 3.32Å; H255-E259 IonicContact ND1-OE2 2.72Å; H255-E259 PolarHBondContact O-N 3.04Å; V256-E259 PolarHBondContact O-N 3.04Å; H257-E259 VanDerWaalsContact C-N 3.29Å; H257-E259 PolarHBondContact O-N 3.04Å; E259-Y261 VanDerWaalsContact C-N 3.33Å; E259-Y261 PolarHBondContact O-N 3.28Å; E259-S262 PolarHBondContact O-N 3.19Å; E259-S262 PolarHBondContact O-OG 2.81Å; E259-K263 WeakPolarHBondContact O-CG 3.17Å; E259-K263 PolarHBondContact O-N 2.83Å |
| 260 | D | 77.1 | Confident | 78.8 | Confident | 77 Ų | 77 | 97.1 Ų | 97.1 | 41% | 0.412 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -36.7 | 179 | -66.7 | -16.8 | 0 | 0 | 0 | 111.9 | R82 V256 H257 S262 K263 V264 | R82-D260 IonicContact CZ-OD2 3.73Å; R82-D260 IonicContact NH2-OD2 3.78Å; R82-D260 PolarHBondContact NH2-OD2 3.49Å; V256-D260 PolarHBondContact O-N 2.98Å; H257-D260 PolarHBondContact O-N 3.12Å; D260-S262 VanDerWaalsContact C-N 3.29Å; D260-S262 PolarHBondContact O-N 3.27Å; D260-K263 PolarHBondContact O-N 2.73Å; D260-K263 VanDerWaalsContact O-N 3.14Å; D260-V264 PolarHBondContact O-N 2.03Å |
| 261 | Y | 72.1 | Confident | 78.1 | Confident | 157 Ų | 157 | 98.4 Ų | 98.4 | 62% | 0.616 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.2 | -36.7 | 174.9 | -93.1 | -95.3 | 0 | 0 | 0 | 112.5 | H257 E259 K263 V264 | H257-Y261 AromaticContact CD2-CD2 3.79Å; H257-Y261 AromaticContact CD2-CE2 3.78Å; H257-Y261 AromaticContact CE1-CD2 3.89Å; H257-Y261 AromaticContact CE1-CE2 3.18Å; H257-Y261 WeakPolarHBondContact CE1-CE2 3.35Å; H257-Y261 AromaticContact ND1-CE2 3.88Å; H257-Y261 AromaticContact NE2-CD2 3.58Å; H257-Y261 AromaticContact NE2-CE2 3.08Å; H257-Y261 WeakPolarHBondContact NE2-CE2 3.03Å; H257-Y261 AromaticContact NE2-CZ 3.77Å; H257-Y261 WeakPolarHBondContact O-CD2 3.33Å; H257-Y261 PolarHBondContact O-N 3.33Å; E259-Y261 VanDerWaalsContact C-N 3.33Å; E259-Y261 PolarHBondContact O-N 3.28Å; Y261-K263 PolarHBondContact O-N 2.88Å; Y261-V264 PolarHBondContact O-N 3.12Å |
| 262 | S | 75.2 | Confident | 77.4 | Confident | 92 Ų | 92 | 101.8 Ų | 101.8 | 64% | 0.643 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69.2 | -20.9 | 177.2 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | S258 E259 D260 | S258-S262 PolarHBondContact O-N 2.98Å; S258-S262 VanDerWaalsContact O-N 3.13Å; E259-S262 PolarHBondContact O-N 3.19Å; E259-S262 PolarHBondContact O-OG 2.81Å; D260-S262 VanDerWaalsContact C-N 3.29Å; D260-S262 PolarHBondContact O-N 3.27Å |
| 263 | K | 76.6 | Confident | 76.8 | Confident | 141 Ų | 141 | 108.4 Ų | 108.4 | 61% | 0.613 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -87.1 | -12 | 179 | -67.1 | 170.6 | -171.5 | 166.8 | 0 | 113.3 | E259 D260 Y261 | E259-K263 WeakPolarHBondContact O-CG 3.17Å; E259-K263 PolarHBondContact O-N 2.83Å; D260-K263 PolarHBondContact O-N 2.73Å; D260-K263 VanDerWaalsContact O-N 3.14Å; Y261-K263 PolarHBondContact O-N 2.88Å |
| 264 | V | 75 | Confident | 76 | Confident | 88 Ų | 88 | 113.6 Ų | 113.6 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -75.5 | 122.9 | 175.7 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | D260 Y261 K266 | D260-V264 PolarHBondContact O-N 2.03Å; Y261-V264 PolarHBondContact O-N 3.12Å; V264-K266 PolarHBondContact O-N 3.34Å |
| 265 | P | 63.9 | Low | 75.2 | Confident | 77 Ų | 77 | 107.8 Ų | 107.8 | 50% | 0.5 | 53% | 0.525 | S | S | . | . | trans | -58.1 | 127.7 | 175.4 | -17.4 | 28.3 | 0 | 0 | 0 | 109.7 | Y267 | P265-Y267 HydrophobicContact CB-CE1 4.31Å; P265-Y267 HydrophobicContact CB-CE2 4.39Å; P265-Y267 WeakPolarHBondContact O-CD2 3.21Å; P265-Y267 WeakPolarHBondContact O-CE2 3.48Å; P265-Y267 PolarHBondContact O-N 2.83Å | ||
| 266 | K | 69 | Low | 74.4 | Confident | 209 Ų | 209 | 112.9 Ų | 112.9 | 91% | 0.909 | 55% | 0.551 | S | S | * | * | trans | -77.3 | 107.7 | 169 | -68.4 | -176.7 | -179.1 | 179.5 | 0 | 107.4 | V264 | V264-K266 PolarHBondContact O-N 3.34Š| ||
| 267 | Y | 59.8 | Low | 73.5 | Confident | 270 Ų | 270 | 122.4 Ų | 122.4 | 100% | 1.059 | 60% | 0.597 | S | S | * | * | trans | -78.5 | 0 | 170.7 | -52.1 | -82.2 | 0 | 0 | 0 | 110.4 | P265 | P265-Y267 HydrophobicContact CB-CE1 4.31Å; P265-Y267 HydrophobicContact CB-CE2 4.39Å; P265-Y267 WeakPolarHBondContact O-CD2 3.21Å; P265-Y267 WeakPolarHBondContact O-CE2 3.48Å; P265-Y267 PolarHBondContact O-N 2.83Å |
Retrieved 267 of 267 residues in 54.3 ms
(Link to these results)