| 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 | 57.3 | Low | 78.2 | Confident | 183 Ų | 183 | 97 Ų | 97 | 90% | 0.901 | 46% | 0.462 | S | S | * | . | 0 | -45.4 | 0 | -79 | -172.8 | 80.9 | 0 | 0 | 114.6 | K5 | M1-K5 PolarHBondContact O-N 2.87Š| |||
| 2 | D | 79.1 | Confident | 78.6 | Confident | 109 Ų | 109 | 94.8 Ų | 94.8 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.8 | -35.9 | -178.3 | -166.6 | 44.3 | 0 | 0 | 0 | 113.5 | K5 K6 | D2-K5 PolarHBondContact O-N 3.02Å; D2-K6 PolarHBondContact O-N 3.08Å; D2-K6 VanDerWaalsContact O-N 3.13Å |
| 3 | L | 80.2 | Confident | 78.9 | Confident | 34 Ų | 34 | 93.4 Ų | 93.4 | 18% | 0.178 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 178 | -65.2 | 174.3 | 0 | 0 | 0 | 113.4 | K5 K6 L7 A22 I23 L26 V27 | L3-K5 VanDerWaalsContact C-N 3.3Å; L3-K5 PolarHBondContact O-N 2.65Å; L3-K6 WeakPolarHBondContact O-CB 3.32Å; L3-K6 PolarHBondContact O-N 2.93Å; L3-K6 VanDerWaalsContact O-N 3.11Å; L3-L7 PolarHBondContact O-N 3.29Å; L3-A22 HydrophobicContact CD2-CB 3.93Å; L3-I23 HydrophobicContact CB-CG1 3.88Å; L3-I23 HydrophobicContact CD1-CG1 4.34Å; L3-L26 HydrophobicContact CD1-CB 4.24Å; L3-V27 HydrophobicContact CD1-CG2 3.76Å |
| 4 | C | 77.9 | Confident | 79.1 | Confident | 12 Ų | 12 | 93 Ų | 93 | 8% | 0.081 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 175.5 | -57 | 0 | 0 | 0 | 0 | 111.5 | K6 L7 E8 I35 | C4-K6 VanDerWaalsContact C-N 3.29Å; C4-K6 PolarHBondContact O-N 3.46Å; C4-L7 WeakPolarHBondContact O-CB 3.46Å; C4-L7 PolarHBondContact O-N 3.13Å; C4-E8 WeakPolarHBondContact O-CG 3.36Å; C4-E8 PolarHBondContact O-N 3.42Å; C4-I35 WeakPolarHBondContact SG-CG2 3.46Å |
| 5 | K | 80.3 | Confident | 79.4 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 45% | 0.452 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -33.8 | 174 | -71.4 | -179.4 | 179.2 | -178.6 | 0 | 112.6 | M1 D2 L3 K9 | M1-K5 PolarHBondContact O-N 2.87Å; D2-K5 PolarHBondContact O-N 3.02Å; L3-K5 VanDerWaalsContact C-N 3.3Å; L3-K5 PolarHBondContact O-N 2.65Å; K5-K9 WeakPolarHBondContact O-CB 3.44Å; K5-K9 WeakPolarHBondContact O-CD 3.3Å; K5-K9 WeakPolarHBondContact O-CG 3.5Å; K5-K9 PolarHBondContact O-N 2.98Å; K5-K9 VanDerWaalsContact O-N 3.17Å |
| 6 | K | 78.6 | Confident | 79.6 | Confident | 118 Ų | 118 | 90.5 Ų | 90.5 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 173.4 | -71.4 | -178.6 | -177.7 | -179.8 | 0 | 111.4 | D2 L3 C4 K9 A10 A19 | D2-K6 PolarHBondContact O-N 3.08Å; D2-K6 VanDerWaalsContact O-N 3.13Å; L3-K6 WeakPolarHBondContact O-CB 3.32Å; L3-K6 PolarHBondContact O-N 2.93Å; L3-K6 VanDerWaalsContact O-N 3.11Å; C4-K6 VanDerWaalsContact C-N 3.29Å; C4-K6 PolarHBondContact O-N 3.46Å; K6-K9 PolarHBondContact O-N 3.34Å; K6-A10 PolarHBondContact O-N 3.29Å; K6-A10 VanDerWaalsContact O-N 3.11Å; K6-A19 HydrophobicContact CB-CB 4.48Å |
| 7 | L | 82.8 | Confident | 79.8 | Confident | 9 Ų | 9 | 86.1 Ų | 86.1 | 5% | 0.047 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -65.1 | -43 | 175.6 | -174.5 | 61.3 | 0 | 0 | 0 | 112.2 | L3 C4 K9 A10 A19 L20 I23 V39 A42 | L3-L7 PolarHBondContact O-N 3.29Å; C4-L7 WeakPolarHBondContact O-CB 3.46Å; C4-L7 PolarHBondContact O-N 3.13Å; L7-K9 VanDerWaalsContact C-N 3.27Å; L7-K9 PolarHBondContact O-N 3.14Å; L7-A10 WeakPolarHBondContact O-CB 3.25Å; L7-A10 PolarHBondContact O-N 3.47Å; L7-A19 HydrophobicContact CB-CB 4.24Å; L7-A19 HydrophobicContact CD1-CB 4.09Å; L7-L20 HydrophobicContact CD1-CD1 4.42Å; L7-L20 HydrophobicContact CD1-CD2 3.98Å; L7-L20 HydrophobicContact CD1-CG 3.77Å; L7-L20 HydrophobicContact CD2-CD2 3.94Å; L7-I23 HydrophobicContact CB-CD1 4.36Å; L7-I23 HydrophobicContact CD2-CD1 3.89Å; L7-V39 HydrophobicContact CD2-CG2 4.37Å; L7-A42 HydrophobicContact CD1-CB 3.89Å; L7-A42 HydrophobicContact CD2-CB 3.66Å; L7-A42 HydrophobicContact CG-CB 3.69Å |
| 8 | E | 79.6 | Confident | 80 | Confident | 138 Ų | 138 | 84.7 Ų | 84.7 | 65% | 0.645 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -64 | -30.1 | 175.7 | -73.7 | 169.1 | -173.7 | 0 | 0 | 113 | C4 | C4-E8 WeakPolarHBondContact O-CG 3.36Å; C4-E8 PolarHBondContact O-N 3.42Å |
| 9 | K | 82.2 | Confident | 80.3 | Confident | 163 Ų | 163 | 80.7 Ų | 80.7 | 71% | 0.709 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -3.4 | 178.8 | -70.6 | 176.7 | -178.9 | -174.1 | 0 | 113.9 | K5 K6 L7 E11 | K5-K9 WeakPolarHBondContact O-CB 3.44Å; K5-K9 WeakPolarHBondContact O-CD 3.3Å; K5-K9 WeakPolarHBondContact O-CG 3.5Å; K5-K9 PolarHBondContact O-N 2.98Å; K5-K9 VanDerWaalsContact O-N 3.17Å; K6-K9 PolarHBondContact O-N 3.34Å; L7-K9 VanDerWaalsContact C-N 3.27Å; L7-K9 PolarHBondContact O-N 3.14Å; K9-E11 PolarHBondContact O-N 3.38Å |
| 10 | A | 81.7 | Confident | 80.6 | Confident | 13 Ų | 13 | 76.7 Ų | 76.7 | 11% | 0.107 | 40% | 0.398 | C | S | . | . | trans | -74.7 | 110 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K6 L7 D15 K16 | K6-A10 PolarHBondContact O-N 3.29Å; K6-A10 VanDerWaalsContact O-N 3.11Å; L7-A10 WeakPolarHBondContact O-CB 3.25Å; L7-A10 PolarHBondContact O-N 3.47Å; A10-D15 HydrophobicContact CB-CB 3.71Å; A10-K16 HydrophobicContact CB-CB 4.33Å; A10-K16 HydrophobicContact CB-CG 3.57Å; A10-K16 WeakPolarHBondContact O-CE 3.43Å | ||
| 11 | E | 80.2 | Confident | 80.8 | Confident | 184 Ų | 184 | 74.5 Ų | 74.5 | 86% | 0.86 | 39% | 0.386 | S | S | * | . | trans | -87.9 | -32.9 | -177.8 | -65.5 | -176.9 | 178.7 | 0 | 0 | 112.3 | K9 | K9-E11 PolarHBondContact O-N 3.38Š| ||
| 12 | T | 83.7 | Confident | 82.1 | Confident | 70 Ų | 70 | 67.1 Ų | 67.1 | 43% | 0.429 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -100.5 | 161 | -179.6 | 74.1 | 0 | 0 | 0 | 0 | 112.6 | S14 D15 K16 | T12-S14 VanDerWaalsContact C-N 3.3Å; T12-S14 PolarHBondContact O-N 3.37Å; T12-D15 WeakPolarHBondContact CB-OD2 3.48Å; T12-D15 PolarHBondContact N-OD2 2.82Å; T12-D15 PolarHBondContact O-N 2.98Å; T12-D15 PolarHBondContact OG1-N 2.91Å; T12-D15 VanDerWaalsContact OG1-N 3.1Å; T12-D15 PolarHBondContact OG1-OD2 2.89Å; T12-K16 WeakPolarHBondContact O-CG 3.26Å; T12-K16 PolarHBondContact O-N 3.18Å; T12-K16 VanDerWaalsContact O-N 3.08Å |
| 13 | V | 81.6 | Confident | 82.4 | Confident | 77 Ų | 77 | 62 Ų | 62 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 173.1 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | D15 K16 I17 L47 L50 | V13-D15 PolarHBondContact O-N 2.82Å; V13-K16 WeakPolarHBondContact O-CB 3.49Å; V13-K16 PolarHBondContact O-N 3.44Å; V13-I17 HydrophobicContact CG1-CD1 3.87Å; V13-I17 HydrophobicContact CG1-CG1 4.41Å; V13-I17 WeakPolarHBondContact O-CG1 3.48Å; V13-I17 PolarHBondContact O-N 2.93Å; V13-L47 HydrophobicContact CG1-CD1 3.93Å; V13-L50 HydrophobicContact CG1-CD1 3.8Å |
| 14 | S | 82.4 | Confident | 82.6 | Confident | 88 Ų | 88 | 61 Ų | 61 | 62% | 0.615 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 178.6 | -55.3 | 0 | 0 | 0 | 0 | 112.9 | T12 K16 I17 A18 | T12-S14 VanDerWaalsContact C-N 3.3Å; T12-S14 PolarHBondContact O-N 3.37Å; S14-K16 VanDerWaalsContact C-N 3.34Å; S14-I17 PolarHBondContact O-N 2.71Å; S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.08Å |
| 15 | D | 83.1 | Confident | 82.8 | Confident | 79 Ų | 79 | 66.7 Ų | 66.7 | 42% | 0.422 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 175.8 | -63.2 | -41.8 | 0 | 0 | 0 | 111.5 | A10 T12 V13 A18 A19 | A10-D15 HydrophobicContact CB-CB 3.71Å; T12-D15 WeakPolarHBondContact CB-OD2 3.48Å; T12-D15 PolarHBondContact N-OD2 2.82Å; T12-D15 PolarHBondContact O-N 2.98Å; T12-D15 PolarHBondContact OG1-N 2.91Å; T12-D15 VanDerWaalsContact OG1-N 3.1Å; T12-D15 PolarHBondContact OG1-OD2 2.89Å; V13-D15 PolarHBondContact O-N 2.82Å; D15-A18 PolarHBondContact O-N 3.37Å; D15-A19 WeakPolarHBondContact O-CB 3.3Å; D15-A19 PolarHBondContact O-N 3.04Å |
| 16 | K | 82.8 | Confident | 83 | Confident | 67 Ų | 67 | 67.4 Ų | 67.4 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 175.1 | -72.2 | -179.5 | -179.6 | -174.3 | 0 | 110.7 | A10 T12 V13 S14 A19 L20 L47 | A10-K16 HydrophobicContact CB-CB 4.33Å; A10-K16 HydrophobicContact CB-CG 3.57Å; A10-K16 WeakPolarHBondContact O-CE 3.43Å; T12-K16 WeakPolarHBondContact O-CG 3.26Å; T12-K16 PolarHBondContact O-N 3.18Å; T12-K16 VanDerWaalsContact O-N 3.08Å; V13-K16 WeakPolarHBondContact O-CB 3.49Å; V13-K16 PolarHBondContact O-N 3.44Å; S14-K16 VanDerWaalsContact C-N 3.34Å; K16-A19 PolarHBondContact O-N 3.17Å; K16-L20 VanDerWaalsContact O-CB 3.25Å; K16-L20 WeakPolarHBondContact O-CB 3.36Å; K16-L20 VanDerWaalsContact O-CG 3.29Å; K16-L20 WeakPolarHBondContact O-CG 3.36Å; K16-L20 PolarHBondContact O-N 2.71Å; K16-L47 HydrophobicContact CB-CD2 4.23Å; K16-L47 HydrophobicContact CD-CD2 4.33Å |
| 17 | I | 82.8 | Confident | 83.2 | Confident | 16 Ų | 16 | 62.5 Ų | 62.5 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -51.3 | 176.7 | -70.1 | 170.2 | 0 | 0 | 0 | 110.2 | V13 S14 A19 L20 M21 L47 F51 | V13-I17 HydrophobicContact CG1-CD1 3.87Å; V13-I17 HydrophobicContact CG1-CG1 4.41Å; V13-I17 WeakPolarHBondContact O-CG1 3.48Å; V13-I17 PolarHBondContact O-N 2.93Å; S14-I17 PolarHBondContact O-N 2.71Å; I17-A19 PolarHBondContact O-N 2.85Å; I17-L20 PolarHBondContact O-N 3.15Å; I17-M21 HydrophobicContact CG2-CG 4.21Å; I17-M21 HydrophobicContact CG2-SD 3.95Å; I17-M21 WeakPolarHBondContact O-CB 3.42Å; I17-M21 VanDerWaalsContact O-CG 3.29Å; I17-M21 WeakPolarHBondContact O-CG 2.95Å; I17-M21 PolarHBondContact O-N 3.41Å; I17-L47 HydrophobicContact CD1-CD1 4.44Å; I17-L47 HydrophobicContact CG1-CD1 3.89Å; I17-F51 HydrophobicContact CB-CE2 4.23Å; I17-F51 HydrophobicContact CB-CZ 3.97Å; I17-F51 HydrophobicContact CG1-CD2 4.3Å; I17-F51 HydrophobicContact CG1-CE2 3.76Å; I17-F51 HydrophobicContact CG1-CZ 4.02Å; I17-F51 HydrophobicContact CG2-CE1 3.93Å; I17-F51 HydrophobicContact CG2-CE2 4.38Å; I17-F51 HydrophobicContact CG2-CZ 3.79Å |
| 18 | A | 84.4 | Confident | 83.1 | Confident | 61 Ų | 61 | 65.1 Ų | 65.1 | 50% | 0.504 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | -180 | 0 | 0 | 0 | 0 | 0 | 112.8 | S14 D15 A22 | S14-A18 WeakPolarHBondContact O-CB 3.32Å; S14-A18 PolarHBondContact O-N 3.08Å; D15-A18 PolarHBondContact O-N 3.37Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.02Å |
| 19 | A | 84.7 | Confident | 82.9 | Confident | 8 Ų | 8 | 66.2 Ų | 66.2 | 7% | 0.066 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K6 L7 D15 K16 I17 A22 I23 | K6-A19 HydrophobicContact CB-CB 4.48Å; L7-A19 HydrophobicContact CB-CB 4.24Å; L7-A19 HydrophobicContact CD1-CB 4.09Å; D15-A19 WeakPolarHBondContact O-CB 3.3Å; D15-A19 PolarHBondContact O-N 3.04Å; K16-A19 PolarHBondContact O-N 3.17Å; I17-A19 PolarHBondContact O-N 2.85Å; A19-A22 PolarHBondContact O-N 2.88Å; A19-I23 WeakPolarHBondContact O-CG1 3.48Å; A19-I23 PolarHBondContact O-N 3.48Å |
| 20 | L | 85.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -68.5 | -39.6 | 177.9 | -78.5 | 173.3 | 0 | 0 | 0 | 112.2 | L7 K16 I17 A22 I23 A24 V39 V43 L47 F51 I66 | L7-L20 HydrophobicContact CD1-CD1 4.42Å; L7-L20 HydrophobicContact CD1-CD2 3.98Å; L7-L20 HydrophobicContact CD1-CG 3.77Å; L7-L20 HydrophobicContact CD2-CD2 3.94Å; K16-L20 VanDerWaalsContact O-CB 3.25Å; K16-L20 WeakPolarHBondContact O-CB 3.36Å; K16-L20 VanDerWaalsContact O-CG 3.29Å; K16-L20 WeakPolarHBondContact O-CG 3.36Å; K16-L20 PolarHBondContact O-N 2.71Å; I17-L20 PolarHBondContact O-N 3.15Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 3.2Å; L20-I23 HydrophobicContact CD2-CD1 4.46Å; L20-I23 WeakPolarHBondContact O-CB 3.39Å; L20-I23 PolarHBondContact O-N 3.45Å; L20-I23 VanDerWaalsContact O-N 3.16Å; L20-A24 PolarHBondContact O-N 3.38Å; L20-V39 HydrophobicContact CD2-CG1 3.97Å; L20-V43 HydrophobicContact CD1-CG2 3.77Å; L20-V43 HydrophobicContact CD2-CG2 3.93Å; L20-L47 HydrophobicContact CD1-CD2 3.78Å; L20-F51 HydrophobicContact CB-CE2 4.04Å; L20-F51 HydrophobicContact CB-CZ 3.53Å; L20-F51 HydrophobicContact CD1-CE2 3.68Å; L20-F51 HydrophobicContact CD1-CZ 4.08Å; L20-F51 HydrophobicContact CG-CZ 4.47Å; L20-I66 HydrophobicContact CB-CD1 3.69Å; L20-I66 HydrophobicContact CD2-CD1 4.17Å; L20-I66 HydrophobicContact CG-CD1 4.37Å |
| 21 | M | 85.1 | Confident | 82.6 | Confident | 31 Ų | 31 | 67.6 Ų | 67.6 | 15% | 0.153 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -59 | -44.5 | 171.2 | -73.4 | -180 | 78.7 | 0 | 0 | 111.5 | I17 I23 A24 K25 F51 E58 T59 A62 | I17-M21 HydrophobicContact CG2-CG 4.21Å; I17-M21 HydrophobicContact CG2-SD 3.95Å; I17-M21 WeakPolarHBondContact O-CB 3.42Å; I17-M21 VanDerWaalsContact O-CG 3.29Å; I17-M21 WeakPolarHBondContact O-CG 2.95Å; I17-M21 PolarHBondContact O-N 3.41Å; M21-I23 VanDerWaalsContact C-N 3.29Å; M21-I23 PolarHBondContact O-N 3.18Å; M21-A24 PolarHBondContact O-N 3.22Å; M21-K25 WeakPolarHBondContact O-CB 3.44Å; M21-K25 WeakPolarHBondContact O-CG 3.29Å; M21-K25 PolarHBondContact O-N 3.26Å; M21-F51 HydrophobicContact CG-CE1 3.76Å; M21-F51 HydrophobicContact CG-CZ 4.37Å; M21-E58 HydrophobicContact CE-CB 4.27Å; M21-T59 HydrophobicContact CE-CG2 3.99Å; M21-T59 HydrophobicContact SD-CG2 3.89Å; M21-A62 HydrophobicContact CB-CB 4.49Å; M21-A62 HydrophobicContact CG-CB 4.06Å |
| 22 | A | 85 | Confident | 82.4 | Confident | 28 Ų | 28 | 59.1 Ų | 59.1 | 23% | 0.231 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L3 A18 A19 L20 L26 | L3-A22 HydrophobicContact CD2-CB 3.93Å; A18-A22 WeakPolarHBondContact O-CB 3.46Å; A18-A22 PolarHBondContact O-N 3.02Å; A19-A22 PolarHBondContact O-N 2.88Å; L20-A22 VanDerWaalsContact C-N 3.33Å; L20-A22 PolarHBondContact O-N 3.2Å; A22-L26 HydrophobicContact CB-CD1 4.37Å; A22-L26 WeakPolarHBondContact O-CB 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.46Å |
| 23 | I | 84.7 | Confident | 82 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 174.1 | -73 | 166 | 0 | 0 | 0 | 111.4 | L3 L7 A19 L20 M21 K25 V27 I35 V39 | L3-I23 HydrophobicContact CB-CG1 3.88Å; L3-I23 HydrophobicContact CD1-CG1 4.34Å; L7-I23 HydrophobicContact CB-CD1 4.36Å; L7-I23 HydrophobicContact CD2-CD1 3.89Å; A19-I23 WeakPolarHBondContact O-CG1 3.48Å; A19-I23 PolarHBondContact O-N 3.48Å; L20-I23 HydrophobicContact CD2-CD1 4.46Å; L20-I23 WeakPolarHBondContact O-CB 3.39Å; L20-I23 PolarHBondContact O-N 3.45Å; L20-I23 VanDerWaalsContact O-N 3.16Å; M21-I23 VanDerWaalsContact C-N 3.29Å; M21-I23 PolarHBondContact O-N 3.18Å; I23-K25 PolarHBondContact O-N 2.86Å; I23-V27 HydrophobicContact CB-CG2 4.46Å; I23-V27 HydrophobicContact CG2-CG2 4.18Å; I23-V27 VanDerWaalsContact O-CB 3.27Å; I23-V27 WeakPolarHBondContact O-CB 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.22Å; I23-V27 PolarHBondContact O-N 3.32Å; I23-V27 VanDerWaalsContact O-N 3.16Å; I23-I35 HydrophobicContact CG2-CD1 3.45Å; I23-I35 VanDerWaalsContact CG2-CD1 3.45Å; I23-V39 HydrophobicContact CD1-CG2 4.19Å; I23-V39 HydrophobicContact CG2-CG2 4.12Å |
| 24 | A | 84.3 | Confident | 82 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 11% | 0.107 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -43.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L20 M21 A62 V65 I66 | L20-A24 PolarHBondContact O-N 3.38Å; M21-A24 PolarHBondContact O-N 3.22Å; A24-A62 HydrophobicContact CB-CB 3.81Å; A24-V65 HydrophobicContact CB-CB 4.31Å; A24-V65 HydrophobicContact CB-CG1 4.16Å; A24-I66 HydrophobicContact CB-CD1 4.34Å; A24-I66 HydrophobicContact CB-CG1 4.16Å |
| 25 | K | 83.1 | Confident | 82 | Confident | 130 Ų | 130 | 60.4 Ų | 60.4 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -80.2 | -36.5 | -176.6 | -68.7 | -177.8 | 178.7 | -176.3 | 0 | 114.3 | M21 I23 | M21-K25 WeakPolarHBondContact O-CB 3.44Å; M21-K25 WeakPolarHBondContact O-CG 3.29Å; M21-K25 PolarHBondContact O-N 3.26Å; I23-K25 PolarHBondContact O-N 2.86Å |
| 26 | L | 85.2 | Confident | 81.9 | Confident | 120 Ų | 120 | 57.7 Ų | 57.7 | 63% | 0.628 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -104.6 | -17.5 | -167.8 | -58.2 | 175.6 | 0 | 0 | 0 | 114.4 | L3 A22 P28 | L3-L26 HydrophobicContact CD1-CB 4.24Å; A22-L26 HydrophobicContact CB-CD1 4.37Å; A22-L26 WeakPolarHBondContact O-CB 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.49Å; A22-L26 PolarHBondContact O-N 3.46Å; L26-P28 WeakPolarHBondContact O-CD 3.38Å |
| 27 | V | 82.3 | Confident | 81.8 | Confident | 15 Ų | 15 | 58.5 Ų | 58.5 | 9% | 0.091 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -91.2 | 115.4 | -177.8 | -178.3 | 0 | 0 | 0 | 0 | 109.7 | L3 I23 Q31 I35 R69 | L3-V27 HydrophobicContact CD1-CG2 3.76Å; I23-V27 HydrophobicContact CB-CG2 4.46Å; I23-V27 HydrophobicContact CG2-CG2 4.18Å; I23-V27 VanDerWaalsContact O-CB 3.27Å; I23-V27 WeakPolarHBondContact O-CB 3.32Å; I23-V27 WeakPolarHBondContact O-CG2 3.22Å; I23-V27 PolarHBondContact O-N 3.32Å; I23-V27 VanDerWaalsContact O-N 3.16Å; V27-Q31 HydrophobicContact CG1-CB 4.05Å; V27-I35 HydrophobicContact CB-CD1 4.02Å; V27-I35 HydrophobicContact CG1-CD1 3.67Å; V27-I35 HydrophobicContact CG1-CG1 4.29Å; V27-I35 HydrophobicContact CG2-CD1 3.78Å; V27-R69 PolarHBondContact O-NH2 3.4Å; V27-R69 VanDerWaalsContact O-NH2 3.14Å |
| 28 | P | 79.9 | Confident | 81.8 | Confident | 64 Ų | 64 | 61.1 Ų | 61.1 | 42% | 0.416 | 33% | 0.334 | S | S | . | . | trans | -60 | 148.7 | 176.1 | -20.2 | 32.2 | 0 | 0 | 0 | 111.3 | L26 S30 Q31 A32 | L26-P28 WeakPolarHBondContact O-CD 3.38Å; P28-S30 PolarHBondContact O-N 3.05Å; P28-S30 VanDerWaalsContact O-N 3.11Å; P28-Q31 PolarHBondContact O-N 3.39Å; P28-A32 PolarHBondContact O-N 3.2Å | ||
| 29 | K | 75.7 | Confident | 81.7 | Confident | 161 Ų | 161 | 58.5 Ų | 58.5 | 70% | 0.7 | 31% | 0.312 | S | S | * | . | G | 310 helix | trans | -53.1 | -35.2 | 178.4 | -172 | 175.3 | 179.5 | 176.7 | 0 | 113.1 | Q31 A32 | K29-Q31 VanDerWaalsContact C-N 3.26Å; K29-Q31 PolarHBondContact O-N 2.84Å; K29-A32 WeakPolarHBondContact O-CB 3.33Å; K29-A32 PolarHBondContact O-N 2.94Å |
| 30 | S | 78.9 | Confident | 81.6 | Confident | 104 Ų | 104 | 59.8 Ų | 59.8 | 73% | 0.727 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -66.5 | -21.8 | 178.3 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | P28 | P28-S30 PolarHBondContact O-N 3.05Å; P28-S30 VanDerWaalsContact O-N 3.11Å |
| 31 | Q | 79.4 | Confident | 81.3 | Confident | 100 Ų | 100 | 64 Ų | 64 | 47% | 0.467 | 36% | 0.358 | S | S | . | . | G | 310 helix | trans | -105.1 | -4.8 | 178.8 | -66.6 | 178.4 | 4.2 | 0 | 0 | 112.5 | V27 P28 K29 D33 E34 | V27-Q31 HydrophobicContact CG1-CB 4.05Å; P28-Q31 PolarHBondContact O-N 3.39Å; K29-Q31 VanDerWaalsContact C-N 3.26Å; K29-Q31 PolarHBondContact O-N 2.84Å; Q31-D33 PolarHBondContact O-N 3.25Å; Q31-E34 PolarHBondContact O-N 3.33Å |
| 32 | A | 74.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 6% | 0.058 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.5 | -35.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | P28 K29 E34 I35 L36 | P28-A32 PolarHBondContact O-N 3.2Å; K29-A32 WeakPolarHBondContact O-CB 3.33Å; K29-A32 PolarHBondContact O-N 2.94Å; A32-E34 VanDerWaalsContact C-N 3.31Å; A32-E34 PolarHBondContact O-N 3.02Å; A32-I35 VanDerWaalsContact O-CG1 3.26Å; A32-I35 WeakPolarHBondContact O-CG1 3.49Å; A32-I35 PolarHBondContact O-N 2.87Å; A32-L36 WeakPolarHBondContact O-CB 3.44Å; A32-L36 PolarHBondContact O-N 3.42Å; A32-L36 VanDerWaalsContact O-N 3.07Å |
| 33 | D | 75.9 | Confident | 81.1 | Confident | 94 Ų | 94 | 62.4 Ų | 62.4 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.4 | -32.7 | 179.6 | -76.8 | 4.2 | 0 | 0 | 0 | 112.7 | Q31 I35 K73 | Q31-D33 PolarHBondContact O-N 3.25Å; D33-I35 VanDerWaalsContact C-N 3.31Å; D33-I35 PolarHBondContact O-N 3.09Å; D33-K73 VanDerWaalsContact OD1-CE 3.3Å; D33-K73 WeakPolarHBondContact OD1-CE 3.33Å; D33-K73 IonicContact OD1-NZ 2.97Å; D33-K73 IonicContact OD2-NZ 3.37Å; D33-K73 PolarHBondContact OD2-NZ 3.47Å |
| 34 | E | 82.2 | Confident | 81.3 | Confident | 148 Ų | 148 | 65.6 Ų | 65.6 | 69% | 0.692 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -71.7 | -26.2 | -179.3 | -64.5 | -178.4 | -174 | 0 | 0 | 113.3 | Q31 A32 Q38 | Q31-E34 PolarHBondContact O-N 3.33Å; A32-E34 VanDerWaalsContact C-N 3.31Å; A32-E34 PolarHBondContact O-N 3.02Å; E34-Q38 PolarHBondContact O-OE1 3.5Å |
| 35 | I | 81.4 | Confident | 81.5 | Confident | 20 Ų | 20 | 65.5 Ų | 65.5 | 10% | 0.103 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -106 | -9.8 | -175.5 | 64.1 | 158.5 | 0 | 0 | 0 | 113.3 | C4 I23 V27 A32 D33 P37 Q38 V39 | C4-I35 WeakPolarHBondContact SG-CG2 3.46Å; I23-I35 HydrophobicContact CG2-CD1 3.45Å; I23-I35 VanDerWaalsContact CG2-CD1 3.45Å; V27-I35 HydrophobicContact CB-CD1 4.02Å; V27-I35 HydrophobicContact CG1-CD1 3.67Å; V27-I35 HydrophobicContact CG1-CG1 4.29Å; V27-I35 HydrophobicContact CG2-CD1 3.78Å; A32-I35 VanDerWaalsContact O-CG1 3.26Å; A32-I35 WeakPolarHBondContact O-CG1 3.49Å; A32-I35 PolarHBondContact O-N 2.87Å; D33-I35 VanDerWaalsContact C-N 3.31Å; D33-I35 PolarHBondContact O-N 3.09Å; I35-P37 VanDerWaalsContact C-CD 3.47Å; I35-Q38 VanDerWaalsContact C-OE1 3.22Å; I35-Q38 VanDerWaalsContact CA-OE1 3.26Å; I35-Q38 PolarHBondContact O-N 2.79Å; I35-Q38 PolarHBondContact O-OE1 3.04Å; I35-Q38 VanDerWaalsContact O-OE1 3.07Å; I35-V39 HydrophobicContact CD1-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CG2 3.4Å; I35-V39 PolarHBondContact O-N 3.21Å |
| 36 | L | 80.7 | Confident | 81.8 | Confident | 21 Ų | 21 | 66.9 Ų | 66.9 | 11% | 0.11 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.9 | -40.3 | -174 | -167.1 | 64.9 | 0 | 0 | 0 | 113 | A32 Q38 V39 A40 R69 L70 K73 | A32-L36 WeakPolarHBondContact O-CB 3.44Å; A32-L36 PolarHBondContact O-N 3.42Å; A32-L36 VanDerWaalsContact O-N 3.07Å; L36-Q38 VanDerWaalsContact C-N 3.31Å; L36-Q38 PolarHBondContact O-N 2.82Å; L36-V39 PolarHBondContact O-N 2.98Å; L36-A40 WeakPolarHBondContact O-CB 3.41Å; L36-A40 PolarHBondContact O-N 3.24Å; L36-R69 HydrophobicContact CD1-CB 4.01Å; L36-L70 HydrophobicContact CD1-CD2 4.02Å; L36-K73 HydrophobicContact CD2-CB 3.6Å; L36-K73 HydrophobicContact CD2-CG 3.46Å; L36-K73 VanDerWaalsContact CD2-CG 3.46Å |
| 37 | P | 82.3 | Confident | 82 | Confident | 84 Ų | 84 | 61.6 Ų | 61.6 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.8 | -39.5 | 176.6 | -25.1 | 35.8 | 0 | 0 | 0 | 113.1 | I35 A41 | I35-P37 VanDerWaalsContact C-CD 3.47Å; P37-A41 WeakPolarHBondContact O-CB 3.37Å; P37-A41 PolarHBondContact O-N 3.19Å |
| 38 | Q | 81.7 | Confident | 82.5 | Confident | 72 Ų | 72 | 60.9 Ų | 60.9 | 34% | 0.336 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.5 | -35.9 | 178.8 | -62 | 83 | 0.7 | 0 | 0 | 111.7 | E34 I35 L36 A42 | E34-Q38 PolarHBondContact O-OE1 3.5Å; I35-Q38 VanDerWaalsContact C-OE1 3.22Å; I35-Q38 VanDerWaalsContact CA-OE1 3.26Å; I35-Q38 PolarHBondContact O-N 2.79Å; I35-Q38 PolarHBondContact O-OE1 3.04Å; I35-Q38 VanDerWaalsContact O-OE1 3.07Å; L36-Q38 VanDerWaalsContact C-N 3.31Å; L36-Q38 PolarHBondContact O-N 2.82Å; Q38-A42 PolarHBondContact O-N 3.3Å |
| 39 | V | 83.2 | Confident | 83.1 | Confident | 6 Ų | 6 | 58.9 Ų | 58.9 | 4% | 0.036 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.8 | -47.6 | 173.3 | 175.3 | 0 | 0 | 0 | 0 | 110.5 | L7 L20 I23 I35 L36 A41 A42 V43 I66 L70 | L7-V39 HydrophobicContact CD2-CG2 4.37Å; L20-V39 HydrophobicContact CD2-CG1 3.97Å; I23-V39 HydrophobicContact CD1-CG2 4.19Å; I23-V39 HydrophobicContact CG2-CG2 4.12Å; I35-V39 HydrophobicContact CD1-CG2 4.29Å; I35-V39 WeakPolarHBondContact O-CG2 3.4Å; I35-V39 PolarHBondContact O-N 3.21Å; L36-V39 PolarHBondContact O-N 2.98Å; V39-A41 VanDerWaalsContact C-N 3.3Å; V39-A41 PolarHBondContact O-N 3.33Å; V39-A42 PolarHBondContact O-N 3.46Å; V39-V43 HydrophobicContact CG1-CG2 4.02Å; V39-V43 WeakPolarHBondContact O-CB 3.35Å; V39-V43 VanDerWaalsContact O-CG2 3.25Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 2.95Å; V39-I66 HydrophobicContact CG1-CG2 3.81Å; V39-L70 HydrophobicContact CG1-CD2 4.35Å |
| 40 | A | 82.1 | Confident | 83.8 | Confident | 34 Ų | 34 | 54.5 Ų | 54.5 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L36 A42 L70 | L36-A40 WeakPolarHBondContact O-CB 3.41Å; L36-A40 PolarHBondContact O-N 3.24Å; A40-A42 VanDerWaalsContact C-N 3.3Å; A40-A42 PolarHBondContact O-N 3.46Å; A40-L70 HydrophobicContact CB-CD2 3.7Å |
| 41 | A | 80.4 | Confident | 84.3 | Confident | 91 Ų | 91 | 49.6 Ų | 49.6 | 75% | 0.752 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -66.9 | -29 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | P37 V39 | P37-A41 WeakPolarHBondContact O-CB 3.37Å; P37-A41 PolarHBondContact O-N 3.19Å; V39-A41 VanDerWaalsContact C-N 3.3Å; V39-A41 PolarHBondContact O-N 3.33Å |
| 42 | A | 80.6 | Confident | 84.9 | Confident | 21 Ų | 21 | 44.8 Ų | 44.8 | 17% | 0.174 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -91.8 | -18.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L7 Q38 V39 A40 | L7-A42 HydrophobicContact CD1-CB 3.89Å; L7-A42 HydrophobicContact CD2-CB 3.66Å; L7-A42 HydrophobicContact CG-CB 3.69Å; Q38-A42 PolarHBondContact O-N 3.3Å; V39-A42 PolarHBondContact O-N 3.46Å; A40-A42 VanDerWaalsContact C-N 3.3Å; A40-A42 PolarHBondContact O-N 3.46Å |
| 43 | V | 84.9 | Confident | 85.6 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | trans | -99.6 | 121.6 | -173.6 | 176.4 | 0 | 0 | 0 | 0 | 110.9 | L20 V39 M48 I66 L70 K81 F82 | L20-V43 HydrophobicContact CD1-CG2 3.77Å; L20-V43 HydrophobicContact CD2-CG2 3.93Å; V39-V43 HydrophobicContact CG1-CG2 4.02Å; V39-V43 WeakPolarHBondContact O-CB 3.35Å; V39-V43 VanDerWaalsContact O-CG2 3.25Å; V39-V43 WeakPolarHBondContact O-CG2 3.43Å; V39-V43 PolarHBondContact O-N 2.95Å; V43-M48 HydrophobicContact CG1-CB 4.49Å; V43-M48 HydrophobicContact CG1-CE 3.58Å; V43-I66 HydrophobicContact CG2-CG2 4.26Å; V43-L70 HydrophobicContact CB-CD1 4.11Å; V43-L70 HydrophobicContact CG1-CD1 3.77Å; V43-L70 HydrophobicContact CG2-CD1 4.49Å; V43-K81 PolarHBondContact O-NZ 3.41Å; V43-K81 VanDerWaalsContact O-NZ 3.16Å; V43-F82 HydrophobicContact CG1-CE1 4.05Å; V43-F82 HydrophobicContact CG1-CZ 4.33Å | ||
| 44 | D | 87.6 | Confident | 86.1 | Confident | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | trans | -110.7 | 162.3 | 164.4 | 68.9 | 41.9 | 0 | 0 | 0 | 110.7 | K46 L47 M48 | D44-K46 VanDerWaalsContact C-N 3.27Å; D44-K46 PolarHBondContact O-N 2.91Å; D44-K46 WeakPolarHBondContact OD1-CB 3.33Å; D44-K46 PolarHBondContact OD1-N 3.41Å; D44-K46 VanDerWaalsContact OD1-N 3.08Å; D44-L47 PolarHBondContact O-N 2.73Å; D44-L47 WeakPolarHBondContact OD1-CB 3.43Å; D44-L47 PolarHBondContact OD1-N 3.06Å; D44-M48 PolarHBondContact O-N 3.46Å | ||
| 45 | P | 88.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 7% | 0.071 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59 | -32.4 | 179.9 | -32.2 | 39.2 | 0 | 0 | 0 | 115 | M48 N49 K81 F82 E84 | P45-M48 PolarHBondContact O-N 3.39Å; P45-N49 PolarHBondContact O-N 3.42Å; P45-N49 PolarHBondContact O-ND2 3.09Å; P45-K81 HydrophobicContact CG-CD 4.44Å; P45-K81 HydrophobicContact CG-CG 3.82Å; P45-K81 WeakPolarHBondContact CG-O 3.42Å; P45-F82 HydrophobicContact CG-CD1 4.23Å; P45-F82 HydrophobicContact CG-CE1 4.4Å; P45-E84 HydrophobicContact CB-CG 3.47Å; P45-E84 VanDerWaalsContact CB-CG 3.47Å; P45-E84 WeakPolarHBondContact CB-OE1 3.28Å; P45-E84 HydrophobicContact CG-CG 4.16Å |
| 46 | K | 89.8 | Confident | 86.3 | Confident | 158 Ų | 158 | 46 Ų | 46 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -65.6 | -45.2 | 177.3 | -67.7 | -178.3 | 178.5 | 179.3 | 0 | 111.2 | D44 M48 N49 L50 | D44-K46 VanDerWaalsContact C-N 3.27Å; D44-K46 PolarHBondContact O-N 2.91Å; D44-K46 WeakPolarHBondContact OD1-CB 3.33Å; D44-K46 PolarHBondContact OD1-N 3.41Å; D44-K46 VanDerWaalsContact OD1-N 3.08Å; K46-M48 VanDerWaalsContact C-N 3.29Å; K46-M48 PolarHBondContact O-N 3.02Å; K46-N49 PolarHBondContact O-N 2.96Å; K46-L50 WeakPolarHBondContact O-CG 3.2Å; K46-L50 PolarHBondContact O-N 3.34Å |
| 47 | L | 89.7 | Confident | 86.4 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.1 | -177.3 | 62.1 | 0 | 0 | 0 | 110.8 | V13 K16 I17 L20 D44 L50 F51 | V13-L47 HydrophobicContact CG1-CD1 3.93Å; K16-L47 HydrophobicContact CB-CD2 4.23Å; K16-L47 HydrophobicContact CD-CD2 4.33Å; I17-L47 HydrophobicContact CD1-CD1 4.44Å; I17-L47 HydrophobicContact CG1-CD1 3.89Å; L20-L47 HydrophobicContact CD1-CD2 3.78Å; D44-L47 PolarHBondContact O-N 2.73Å; D44-L47 WeakPolarHBondContact OD1-CB 3.43Å; D44-L47 PolarHBondContact OD1-N 3.06Å; L47-L50 PolarHBondContact O-N 3.32Å; L47-F51 HydrophobicContact CD1-CE2 4.41Å; L47-F51 HydrophobicContact CG-CD2 4.37Å; L47-F51 HydrophobicContact CG-CE2 4.29Å; L47-F51 WeakPolarHBondContact O-CD2 3.24Å; L47-F51 PolarHBondContact O-N 3.02Å |
| 48 | M | 92.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.9 | -39.4 | 177.5 | -170.9 | 56.4 | 63.1 | 0 | 0 | 112.8 | V43 D44 P45 K46 L50 F51 L52 I66 L67 L70 C85 | V43-M48 HydrophobicContact CG1-CB 4.49Å; V43-M48 HydrophobicContact CG1-CE 3.58Å; D44-M48 PolarHBondContact O-N 3.46Å; P45-M48 PolarHBondContact O-N 3.39Å; K46-M48 VanDerWaalsContact C-N 3.29Å; K46-M48 PolarHBondContact O-N 3.02Å; M48-L50 VanDerWaalsContact C-N 3.35Å; M48-L50 PolarHBondContact O-N 3.13Å; M48-F51 WeakPolarHBondContact O-CB 3.21Å; M48-F51 PolarHBondContact O-N 3.27Å; M48-F51 HydrophobicContact SD-CB 4.48Å; M48-L52 HydrophobicContact CG-CD1 4.26Å; M48-L52 WeakPolarHBondContact O-CG 3.5Å; M48-L52 PolarHBondContact O-N 3.38Å; M48-I66 HydrophobicContact CE-CB 4.09Å; M48-I66 HydrophobicContact CE-CG2 3.69Å; M48-L67 HydrophobicContact CE-CB 4.24Å; M48-L67 HydrophobicContact CG-CD1 4.29Å; M48-L67 HydrophobicContact SD-CB 3.92Å; M48-L70 HydrophobicContact CE-CD1 4.18Å; M48-C85 HydrophobicContact CG-CB 4.48Å |
| 49 | N | 92.7 | Very high | 86.8 | Confident | 23 Ų | 23 | 46.3 Ų | 46.3 | 12% | 0.123 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 174.5 | -80.6 | -37.2 | 0 | 0 | 0 | 112 | P45 K46 F51 L52 E53 C85 S88 | P45-N49 PolarHBondContact O-N 3.42Å; P45-N49 PolarHBondContact O-ND2 3.09Å; K46-N49 PolarHBondContact O-N 2.96Å; N49-F51 VanDerWaalsContact C-N 3.31Å; N49-F51 PolarHBondContact O-N 3.01Å; N49-L52 PolarHBondContact O-N 3.19Å; N49-L52 VanDerWaalsContact O-N 3.11Å; N49-E53 WeakPolarHBondContact O-CB 3.25Å; N49-E53 VanDerWaalsContact O-CG 3.3Å; N49-E53 WeakPolarHBondContact O-CG 3.46Å; N49-E53 PolarHBondContact O-N 3.07Å; N49-C85 VanDerWaalsContact OD1-CA 3.31Å; N49-C85 WeakPolarHBondContact OD1-CA 3.21Å; N49-S88 WeakPolarHBondContact OD1-CB 3.44Å; N49-S88 PolarHBondContact OD1-OG 2.93Å |
| 50 | L | 90 | Very high | 87.1 | Confident | 69 Ų | 69 | 46 Ų | 46 | 36% | 0.361 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -58.5 | -43.3 | 175.3 | -67.7 | 172 | 0 | 0 | 0 | 112 | V13 K46 L47 M48 L52 E53 E54 | V13-L50 HydrophobicContact CG1-CD1 3.8Å; K46-L50 WeakPolarHBondContact O-CG 3.2Å; K46-L50 PolarHBondContact O-N 3.34Å; L47-L50 PolarHBondContact O-N 3.32Å; M48-L50 VanDerWaalsContact C-N 3.35Å; M48-L50 PolarHBondContact O-N 3.13Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.16Å; L50-E53 PolarHBondContact O-N 3.19Å; L50-E54 VanDerWaalsContact O-CG 3.31Å; L50-E54 WeakPolarHBondContact O-CG 3.32Å; L50-E54 PolarHBondContact O-N 3.09Å |
| 51 | F | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -55 | -45.7 | 174.8 | -95.4 | -80.7 | 0 | 0 | 0 | 112.5 | I17 L20 M21 L47 M48 N49 T59 G60 A62 I66 | I17-F51 HydrophobicContact CB-CE2 4.23Å; I17-F51 HydrophobicContact CB-CZ 3.97Å; I17-F51 HydrophobicContact CG1-CD2 4.3Å; I17-F51 HydrophobicContact CG1-CE2 3.76Å; I17-F51 HydrophobicContact CG1-CZ 4.02Å; I17-F51 HydrophobicContact CG2-CE1 3.93Å; I17-F51 HydrophobicContact CG2-CE2 4.38Å; I17-F51 HydrophobicContact CG2-CZ 3.79Å; L20-F51 HydrophobicContact CB-CE2 4.04Å; L20-F51 HydrophobicContact CB-CZ 3.53Å; L20-F51 HydrophobicContact CD1-CE2 3.68Å; L20-F51 HydrophobicContact CD1-CZ 4.08Å; L20-F51 HydrophobicContact CG-CZ 4.47Å; M21-F51 HydrophobicContact CG-CE1 3.76Å; M21-F51 HydrophobicContact CG-CZ 4.37Å; L47-F51 HydrophobicContact CD1-CE2 4.41Å; L47-F51 HydrophobicContact CG-CD2 4.37Å; L47-F51 HydrophobicContact CG-CE2 4.29Å; L47-F51 WeakPolarHBondContact O-CD2 3.24Å; L47-F51 PolarHBondContact O-N 3.02Å; M48-F51 WeakPolarHBondContact O-CB 3.21Å; M48-F51 PolarHBondContact O-N 3.27Å; M48-F51 HydrophobicContact SD-CB 4.48Å; N49-F51 VanDerWaalsContact C-N 3.31Å; N49-F51 PolarHBondContact O-N 3.01Å; F51-T59 WeakPolarHBondContact CD1-O 3.4Å; F51-T59 CarbonylContact O-C 3.55Å; F51-G60 WeakPolarHBondContact O-CA 3.24Å; F51-G60 PolarHBondContact O-N 3.13Å; F51-A62 HydrophobicContact CE1-CB 4.32Å; F51-I66 HydrophobicContact CE1-CD1 4.44Å; F51-I66 HydrophobicContact CZ-CD1 4.33Å |
| 52 | L | 92.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.2 | -30.3 | -174.8 | -63 | 170.7 | 0 | 0 | 0 | 112.8 | M48 N49 L50 V64 L67 C85 L89 F92 | M48-L52 HydrophobicContact CG-CD1 4.26Å; M48-L52 WeakPolarHBondContact O-CG 3.5Å; M48-L52 PolarHBondContact O-N 3.38Å; N49-L52 PolarHBondContact O-N 3.19Å; N49-L52 VanDerWaalsContact O-N 3.11Å; L50-L52 VanDerWaalsContact C-N 3.3Å; L50-L52 PolarHBondContact O-N 3.16Å; L52-V64 HydrophobicContact CD2-CG2 3.52Å; L52-L67 HydrophobicContact CD1-CD2 4.4Å; L52-C85 HydrophobicContact CD1-CB 4.39Å; L52-L89 HydrophobicContact CD1-CB 4.19Å; L52-L89 HydrophobicContact CD2-CD1 4.41Å; L52-F92 HydrophobicContact CB-CB 4.2Å; L52-F92 HydrophobicContact CD2-CB 4.34Å; L52-F92 HydrophobicContact CD2-CD1 4.42Å; L52-F92 HydrophobicContact CD2-CG 4.21Å; L52-F92 WeakPolarHBondContact O-CB 3.33Å |
| 53 | E | 90.5 | Very high | 88.3 | Confident | 105 Ų | 105 | 40 Ų | 40 | 49% | 0.491 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -81.1 | -19.1 | -176.2 | -74 | 173 | -168 | 0 | 0 | 114.2 | N49 L50 S88 K95 | N49-E53 WeakPolarHBondContact O-CB 3.25Å; N49-E53 VanDerWaalsContact O-CG 3.3Å; N49-E53 WeakPolarHBondContact O-CG 3.46Å; N49-E53 PolarHBondContact O-N 3.07Å; L50-E53 PolarHBondContact O-N 3.19Å; E53-S88 PolarHBondContact OE1-OG 3.22Å; E53-K95 PolarHBondContact O-NZ 2.88Å |
| 54 | E | 84.9 | Confident | 88.7 | Confident | 88 Ų | 88 | 39.9 Ų | 39.9 | 41% | 0.411 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -78.3 | -135.7 | -177.9 | -74.8 | -179.1 | -177.2 | 0 | 0 | 112.7 | L50 T59 | L50-E54 VanDerWaalsContact O-CG 3.31Å; L50-E54 WeakPolarHBondContact O-CG 3.32Å; L50-E54 PolarHBondContact O-N 3.09Å; E54-T59 WeakPolarHBondContact CB-OG1 3.36Å; E54-T59 WeakPolarHBondContact OE2-CG2 3.33Å |
| 55 | D | 84.9 | Confident | 88.9 | Confident | 78 Ų | 78 | 37.4 Ų | 37.4 | 42% | 0.417 | 19% | 0.19 | S | C | . | . | trans | -73.1 | 126.2 | -180 | -176.9 | -83.8 | 0 | 0 | 0 | 110.9 | V57 E58 T59 G60 | D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 PolarHBondContact O-N 3.15Å; D55-V57 WeakPolarHBondContact OD1-CA 3.4Å; D55-V57 WeakPolarHBondContact OD1-CB 3.47Å; D55-V57 PolarHBondContact OD1-N 2.88Å; D55-E58 PolarHBondContact OD1-N 3.5Å; D55-T59 PolarHBondContact N-OG1 3.07Å; D55-T59 PolarHBondContact O-N 3.38Å; D55-T59 PolarHBondContact O-OG1 3.25Å; D55-G60 PolarHBondContact O-N 3.32Å | ||
| 56 | P | 83.8 | Confident | 89 | Confident | 22 Ų | 22 | 37 Ų | 37 | 14% | 0.143 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -18.7 | -175.6 | 29.1 | -35.5 | 0 | 0 | 0 | 113.9 | F92 K95 L96 | P56-F92 HydrophobicContact CB-CD2 4.22Å; P56-F92 HydrophobicContact CB-CE2 4.07Å; P56-F92 WeakPolarHBondContact O-CE2 3.24Å; P56-K95 HydrophobicContact CB-CB 4Å; P56-K95 HydrophobicContact CG-CB 4.11Å; P56-L96 HydrophobicContact CB-CD1 4.37Å |
| 57 | V | 83.8 | Confident | 89.1 | Confident | 58 Ų | 58 | 29.5 Ų | 29.5 | 35% | 0.352 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -39.2 | -175.7 | -177.6 | 0 | 0 | 0 | 0 | 111.2 | D55 A61 | D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 PolarHBondContact O-N 3.15Å; D55-V57 WeakPolarHBondContact OD1-CA 3.4Å; D55-V57 WeakPolarHBondContact OD1-CB 3.47Å; D55-V57 PolarHBondContact OD1-N 2.88Å; V57-A61 VanDerWaalsContact O-CB 3.24Å; V57-A61 WeakPolarHBondContact O-CB 3.23Å |
| 58 | E | 85.2 | Confident | 89.3 | Confident | 113 Ų | 113 | 29.3 Ų | 29.3 | 53% | 0.528 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | -66.2 | -176.6 | -66.3 | -161.9 | 170.7 | 0 | 0 | 113.5 | M21 D55 A62 | M21-E58 HydrophobicContact CE-CB 4.27Å; D55-E58 PolarHBondContact OD1-N 3.5Å; E58-A62 PolarHBondContact O-N 3.47Å |
| 59 | T | 86.8 | Confident | 89.1 | Confident | 13 Ų | 13 | 31.2 Ų | 31.2 | 8% | 0.08 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -77.6 | -46.8 | -172.8 | 49.7 | 0 | 0 | 0 | 0 | 110.3 | M21 F51 E54 D55 A61 A62 G63 | M21-T59 HydrophobicContact CE-CG2 3.99Å; M21-T59 HydrophobicContact SD-CG2 3.89Å; F51-T59 WeakPolarHBondContact CD1-O 3.4Å; F51-T59 CarbonylContact O-C 3.55Å; E54-T59 WeakPolarHBondContact CB-OG1 3.36Å; E54-T59 WeakPolarHBondContact OE2-CG2 3.33Å; D55-T59 PolarHBondContact N-OG1 3.07Å; D55-T59 PolarHBondContact O-N 3.38Å; D55-T59 PolarHBondContact O-OG1 3.25Å; T59-A61 PolarHBondContact O-N 2.83Å; T59-A62 WeakPolarHBondContact O-CB 3.48Å; T59-A62 PolarHBondContact O-N 3.15Å; T59-G63 PolarHBondContact O-N 3.36Å |
| 60 | G | 88.4 | Confident | 89 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -42.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | F51 D55 A62 G63 V64 | F51-G60 WeakPolarHBondContact O-CA 3.24Å; F51-G60 PolarHBondContact O-N 3.13Å; D55-G60 PolarHBondContact O-N 3.32Å; G60-A62 VanDerWaalsContact C-N 3.35Å; G60-A62 PolarHBondContact O-N 3.4Å; G60-G63 WeakPolarHBondContact O-CA 3.46Å; G60-G63 PolarHBondContact O-N 2.85Å; G60-G63 VanDerWaalsContact O-N 3.13Å; G60-V64 PolarHBondContact O-N 3.36Å |
| 61 | A | 88.9 | Confident | 89.1 | Confident | 14 Ų | 14 | 27.4 Ų | 27.4 | 12% | 0.116 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | V57 T59 G63 V64 V65 T107 | V57-A61 VanDerWaalsContact O-CB 3.24Å; V57-A61 WeakPolarHBondContact O-CB 3.23Å; T59-A61 PolarHBondContact O-N 2.83Å; A61-G63 VanDerWaalsContact C-N 3.35Å; A61-G63 PolarHBondContact O-N 3.15Å; A61-V64 PolarHBondContact O-N 3.44Å; A61-V65 WeakPolarHBondContact O-CG2 3.27Å; A61-V65 PolarHBondContact O-N 2.95Å; A61-T107 HydrophobicContact CB-CG2 3.89Å |
| 62 | A | 88.9 | Confident | 89 | Confident | 6 Ų | 6 | 30.2 Ų | 30.2 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M21 A24 F51 E58 T59 G60 V65 I66 | M21-A62 HydrophobicContact CB-CB 4.49Å; M21-A62 HydrophobicContact CG-CB 4.06Å; A24-A62 HydrophobicContact CB-CB 3.81Å; F51-A62 HydrophobicContact CE1-CB 4.32Å; E58-A62 PolarHBondContact O-N 3.47Å; T59-A62 WeakPolarHBondContact O-CB 3.48Å; T59-A62 PolarHBondContact O-N 3.15Å; G60-A62 VanDerWaalsContact C-N 3.35Å; G60-A62 PolarHBondContact O-N 3.4Å; A62-V65 PolarHBondContact O-N 3.09Å; A62-I66 WeakPolarHBondContact O-CD1 3.43Å; A62-I66 VanDerWaalsContact O-CG1 3.3Å; A62-I66 WeakPolarHBondContact O-CG1 3.42Å; A62-I66 PolarHBondContact O-N 3.32Å |
| 63 | G | 92 | Very high | 88.7 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.6 | -50 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T59 G60 A61 V65 I66 L67 | T59-G63 PolarHBondContact O-N 3.36Å; G60-G63 WeakPolarHBondContact O-CA 3.46Å; G60-G63 PolarHBondContact O-N 2.85Å; G60-G63 VanDerWaalsContact O-N 3.13Å; A61-G63 VanDerWaalsContact C-N 3.35Å; A61-G63 PolarHBondContact O-N 3.15Å; G63-V65 PolarHBondContact O-N 3.46Å; G63-I66 PolarHBondContact O-N 2.92Å; G63-L67 WeakPolarHBondContact O-CB 3.28Å; G63-L67 PolarHBondContact O-N 3.34Å |
| 64 | V | 92.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.1 | 170.5 | 0 | 0 | 0 | 0 | 112.4 | L52 G60 A61 I66 L67 S68 L89 F92 Y110 S111 | L52-V64 HydrophobicContact CD2-CG2 3.52Å; G60-V64 PolarHBondContact O-N 3.36Å; A61-V64 PolarHBondContact O-N 3.44Å; V64-I66 VanDerWaalsContact C-N 3.31Å; V64-I66 PolarHBondContact O-N 3.03Å; V64-L67 PolarHBondContact O-N 2.88Å; V64-S68 VanDerWaalsContact O-CB 3.3Å; V64-S68 WeakPolarHBondContact O-CB 3.3Å; V64-S68 PolarHBondContact O-N 3.37Å; V64-S68 PolarHBondContact O-OG 3.33Å; V64-L89 HydrophobicContact CG2-CD1 3.83Å; V64-F92 HydrophobicContact CB-CE1 4.38Å; V64-F92 HydrophobicContact CG2-CD1 3.62Å; V64-F92 HydrophobicContact CG2-CE1 3.37Å; V64-F92 HydrophobicContact CG2-CG 4.44Å; V64-F92 HydrophobicContact CG2-CZ 3.96Å; V64-Y110 VanDerWaalsContact CG1-C 3.43Å; V64-S111 VanDerWaalsContact CG1-N 3.33Å |
| 65 | V | 91 | Very high | 88.3 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 12% | 0.115 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.2 | -40.9 | 174.2 | 170.9 | 0 | 0 | 0 | 0 | 111 | A24 A61 A62 G63 S68 R69 Y110 | A24-V65 HydrophobicContact CB-CB 4.31Å; A24-V65 HydrophobicContact CB-CG1 4.16Å; A61-V65 WeakPolarHBondContact O-CG2 3.27Å; A61-V65 PolarHBondContact O-N 2.95Å; A62-V65 PolarHBondContact O-N 3.09Å; G63-V65 PolarHBondContact O-N 3.46Å; V65-S68 PolarHBondContact O-OG 3.36Å; V65-R69 WeakPolarHBondContact O-CD 3.41Å; V65-R69 VanDerWaalsContact O-CG 3.23Å; V65-R69 WeakPolarHBondContact O-CG 3.45Å; V65-R69 PolarHBondContact O-N 2.8Å; V65-Y110 HydrophobicContact CG2-CD2 3.7Å; V65-Y110 HydrophobicContact CG2-CE2 3.93Å; V65-Y110 HydrophobicContact CG2-CG 4.38Å |
| 66 | I | 90.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.8 | -47.9 | 177.5 | -64.3 | 159.4 | 0 | 0 | 0 | 110.5 | L20 A24 V39 V43 M48 F51 A62 G63 V64 S68 R69 L70 | L20-I66 HydrophobicContact CB-CD1 3.69Å; L20-I66 HydrophobicContact CD2-CD1 4.17Å; L20-I66 HydrophobicContact CG-CD1 4.37Å; A24-I66 HydrophobicContact CB-CD1 4.34Å; A24-I66 HydrophobicContact CB-CG1 4.16Å; V39-I66 HydrophobicContact CG1-CG2 3.81Å; V43-I66 HydrophobicContact CG2-CG2 4.26Å; M48-I66 HydrophobicContact CE-CB 4.09Å; M48-I66 HydrophobicContact CE-CG2 3.69Å; F51-I66 HydrophobicContact CE1-CD1 4.44Å; F51-I66 HydrophobicContact CZ-CD1 4.33Å; A62-I66 WeakPolarHBondContact O-CD1 3.43Å; A62-I66 VanDerWaalsContact O-CG1 3.3Å; A62-I66 WeakPolarHBondContact O-CG1 3.42Å; A62-I66 PolarHBondContact O-N 3.32Å; G63-I66 PolarHBondContact O-N 2.92Å; V64-I66 VanDerWaalsContact C-N 3.31Å; V64-I66 PolarHBondContact O-N 3.03Å; I66-S68 VanDerWaalsContact C-N 3.34Å; I66-S68 PolarHBondContact O-N 3Å; I66-R69 PolarHBondContact O-N 2.55Å; I66-R69 VanDerWaalsContact O-N 3.17Å; I66-L70 HydrophobicContact CG2-CD1 3.89Å; I66-L70 HydrophobicContact CG2-CG 4.33Å; I66-L70 WeakPolarHBondContact O-CG 3.49Å; I66-L70 PolarHBondContact O-N 3.35Å |
| 67 | L | 93.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 179.6 | -177.4 | 58.1 | 0 | 0 | 0 | 111.4 | M48 L52 G63 V64 R69 L70 L71 F82 C114 L118 | M48-L67 HydrophobicContact CE-CB 4.24Å; M48-L67 HydrophobicContact CG-CD1 4.29Å; M48-L67 HydrophobicContact SD-CB 3.92Å; L52-L67 HydrophobicContact CD1-CD2 4.4Å; G63-L67 WeakPolarHBondContact O-CB 3.28Å; G63-L67 PolarHBondContact O-N 3.34Å; V64-L67 PolarHBondContact O-N 2.88Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.82Å; L67-L70 PolarHBondContact O-N 3.39Å; L67-L71 HydrophobicContact CD1-CD1 4.05Å; L67-L71 HydrophobicContact CD1-CG 4.11Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.11Å; L67-F82 HydrophobicContact CD1-CB 4.08Å; L67-F82 HydrophobicContact CD1-CD1 4.1Å; L67-F82 HydrophobicContact CD1-CG 4.07Å; L67-C114 HydrophobicContact CD2-CB 4.15Å; L67-C114 HydrophobicContact CG-CB 4.44Å; L67-L118 HydrophobicContact CD2-CD1 4.36Å |
| 68 | S | 92.5 | Very high | 88.1 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 4% | 0.035 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 177.5 | 60 | 0 | 0 | 0 | 0 | 112.4 | V64 V65 I66 A72 Y110 F113 C114 | V64-S68 VanDerWaalsContact O-CB 3.3Å; V64-S68 WeakPolarHBondContact O-CB 3.3Å; V64-S68 PolarHBondContact O-N 3.37Å; V64-S68 PolarHBondContact O-OG 3.33Å; V65-S68 PolarHBondContact O-OG 3.36Å; I66-S68 VanDerWaalsContact C-N 3.34Å; I66-S68 PolarHBondContact O-N 3Å; S68-A72 VanDerWaalsContact O-CB 3.3Å; S68-A72 WeakPolarHBondContact O-CB 3.38Å; S68-A72 PolarHBondContact O-N 3.01Å; S68-Y110 VanDerWaalsContact OG-CD1 3.28Å; S68-Y110 WeakPolarHBondContact OG-CD1 3.4Å; S68-F113 VanDerWaalsContact O-CE1 3.25Å; S68-F113 WeakPolarHBondContact O-CE1 3.36Å; S68-C114 PolarHBondContact N-SG 3.35Å; S68-C114 VanDerWaalsContact N-SG 3.45Å |
| 69 | R | 89 | Confident | 88.1 | Confident | 40 Ų | 40 | 34.1 Ų | 34.1 | 15% | 0.151 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.2 | -40.6 | 175.1 | -72 | 171 | -176.6 | -170.2 | 1.3 | 112.2 | V27 L36 V65 I66 L67 | V27-R69 PolarHBondContact O-NH2 3.4Å; V27-R69 VanDerWaalsContact O-NH2 3.14Å; L36-R69 HydrophobicContact CD1-CB 4.01Å; V65-R69 WeakPolarHBondContact O-CD 3.41Å; V65-R69 VanDerWaalsContact O-CG 3.23Å; V65-R69 WeakPolarHBondContact O-CG 3.45Å; V65-R69 PolarHBondContact O-N 2.8Å; I66-R69 PolarHBondContact O-N 2.55Å; I66-R69 VanDerWaalsContact O-N 3.17Å; L67-R69 VanDerWaalsContact C-N 3.32Å; L67-R69 PolarHBondContact O-N 2.82Å |
| 70 | L | 90.1 | Very high | 88.1 | Confident | 9 Ų | 9 | 36.2 Ų | 36.2 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -49.7 | 176.6 | -68.9 | 170.2 | 0 | 0 | 0 | 110.5 | L36 V39 A40 V43 M48 I66 L67 A72 K73 A74 F82 | L36-L70 HydrophobicContact CD1-CD2 4.02Å; V39-L70 HydrophobicContact CG1-CD2 4.35Å; A40-L70 HydrophobicContact CB-CD2 3.7Å; V43-L70 HydrophobicContact CB-CD1 4.11Å; V43-L70 HydrophobicContact CG1-CD1 3.77Å; V43-L70 HydrophobicContact CG2-CD1 4.49Å; M48-L70 HydrophobicContact CE-CD1 4.18Å; I66-L70 HydrophobicContact CG2-CD1 3.89Å; I66-L70 HydrophobicContact CG2-CG 4.33Å; I66-L70 WeakPolarHBondContact O-CG 3.49Å; I66-L70 PolarHBondContact O-N 3.35Å; L67-L70 PolarHBondContact O-N 3.39Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.01Å; L70-K73 PolarHBondContact O-N 3.32Å; L70-A74 VanDerWaalsContact O-CB 3.27Å; L70-A74 WeakPolarHBondContact O-CB 3.27Å; L70-A74 PolarHBondContact O-N 3.1Å; L70-A74 VanDerWaalsContact O-N 3.12Å; L70-F82 HydrophobicContact CB-CE2 4.31Å; L70-F82 HydrophobicContact CD1-CE1 4.23Å; L70-F82 HydrophobicContact CD1-CE2 4.27Å; L70-F82 HydrophobicContact CD1-CZ 3.75Å |
| 71 | L | 91.9 | Very high | 88.1 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -34 | 179.3 | -67.5 | 173.6 | 0 | 0 | 0 | 112.7 | L67 K73 A74 E79 F82 F113 C114 N117 L118 | L67-L71 HydrophobicContact CD1-CD1 4.05Å; L67-L71 HydrophobicContact CD1-CG 4.11Å; L67-L71 HydrophobicContact CG-CD1 3.92Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CB 3.37Å; L67-L71 VanDerWaalsContact O-CG 3.31Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.11Å; L71-K73 PolarHBondContact O-N 2.96Å; L71-K73 VanDerWaalsContact O-N 3.12Å; L71-A74 PolarHBondContact O-N 2.85Å; L71-E79 HydrophobicContact CD2-CB 4.45Å; L71-E79 HydrophobicContact CD2-CG 4.16Å; L71-F82 HydrophobicContact CD2-CB 4.36Å; L71-F113 HydrophobicContact CB-CE1 3.99Å; L71-C114 HydrophobicContact CD1-CB 4.11Å; L71-N117 HydrophobicContact CD1-CB 4.3Å; L71-L118 HydrophobicContact CD1-CD1 4.19Å; L71-L118 HydrophobicContact CD1-CD2 4.23Å; L71-L118 HydrophobicContact CD1-CG 3.95Å; L71-L118 HydrophobicContact CD2-CD2 3.85Å; L71-L118 HydrophobicContact CD2-CG 4.48Å |
| 72 | A | 88.3 | Confident | 88.3 | Confident | 60 Ų | 60 | 40.6 Ų | 40.6 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -15.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | S68 L70 F113 | S68-A72 VanDerWaalsContact O-CB 3.3Å; S68-A72 WeakPolarHBondContact O-CB 3.38Å; S68-A72 PolarHBondContact O-N 3.01Å; L70-A72 VanDerWaalsContact C-N 3.3Å; L70-A72 PolarHBondContact O-N 3.01Å; A72-F113 HydrophobicContact CB-CE1 4.25Å; A72-F113 HydrophobicContact CB-CZ 3.88Å |
| 73 | K | 84.5 | Confident | 88.4 | Confident | 127 Ų | 127 | 41.7 Ų | 41.7 | 55% | 0.552 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.5 | 3.4 | 179.8 | -59.3 | -72.3 | -171.4 | 164.6 | 0 | 113 | D33 L36 L70 L71 | D33-K73 VanDerWaalsContact OD1-CE 3.3Å; D33-K73 WeakPolarHBondContact OD1-CE 3.33Å; D33-K73 IonicContact OD1-NZ 2.97Å; D33-K73 IonicContact OD2-NZ 3.37Å; D33-K73 PolarHBondContact OD2-NZ 3.47Å; L36-K73 HydrophobicContact CD2-CB 3.6Å; L36-K73 HydrophobicContact CD2-CG 3.46Å; L36-K73 VanDerWaalsContact CD2-CG 3.46Å; L70-K73 PolarHBondContact O-N 3.32Å; L71-K73 PolarHBondContact O-N 2.96Å; L71-K73 VanDerWaalsContact O-N 3.12Å |
| 74 | A | 82.5 | Confident | 88.4 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | trans | -70.1 | 143.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L70 L71 E78 E79 | L70-A74 VanDerWaalsContact O-CB 3.27Å; L70-A74 WeakPolarHBondContact O-CB 3.27Å; L70-A74 PolarHBondContact O-N 3.1Å; L70-A74 VanDerWaalsContact O-N 3.12Å; L71-A74 PolarHBondContact O-N 2.85Å; A74-E78 WeakPolarHBondContact CA-OE2 3.41Å; A74-E78 HydrophobicContact CB-CB 3.77Å; A74-E79 HydrophobicContact CB-CG 3.57Å | ||
| 75 | S | 84.6 | Confident | 88.5 | Confident | 40 Ų | 40 | 46.8 Ų | 46.8 | 28% | 0.28 | 25% | 0.253 | S | S | . | . | trans | -67.5 | 162.1 | 162.8 | 87.2 | 0 | 0 | 0 | 0 | 110.5 | E77 E78 E79 | S75-E77 WeakPolarHBondContact CB-OE2 3.38Å; S75-E77 PolarHBondContact O-N 3Å; S75-E77 VanDerWaalsContact O-N 3.14Å; S75-E77 PolarHBondContact OG-N 2.94Å; S75-E77 PolarHBondContact OG-OE2 2.73Å; S75-E78 PolarHBondContact N-OE2 3.47Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 PolarHBondContact OG-N 3.48Å; S75-E79 PolarHBondContact O-N 3.32Å | ||
| 76 | P | 83.6 | Confident | 88.7 | Confident | 88 Ų | 88 | 45.9 Ų | 45.9 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -52.4 | -35.6 | 174.8 | -28.1 | 36.4 | 0 | 0 | 0 | 113.8 | A80 K121 | P76-A80 PolarHBondContact O-N 3.36Å; P76-A80 VanDerWaalsContact O-N 3.14Å; P76-K121 PolarHBondContact O-NZ 3.44Å |
| 77 | E | 84.2 | Confident | 88.9 | Confident | 140 Ų | 140 | 48.8 Ų | 48.8 | 65% | 0.654 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -70.1 | -39.3 | 175.7 | -57.5 | 77.3 | -167.1 | 0 | 0 | 112.5 | S75 A80 K81 | S75-E77 WeakPolarHBondContact CB-OE2 3.38Å; S75-E77 PolarHBondContact O-N 3Å; S75-E77 VanDerWaalsContact O-N 3.14Å; S75-E77 PolarHBondContact OG-N 2.94Å; S75-E77 PolarHBondContact OG-OE2 2.73Å; E77-A80 WeakPolarHBondContact O-CB 3.42Å; E77-A80 PolarHBondContact O-N 3.34Å; E77-K81 PolarHBondContact O-N 3.35Å |
| 78 | E | 81.7 | Confident | 89 | Confident | 97 Ų | 97 | 49.6 Ų | 49.6 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.7 | -38.5 | 176.3 | -70.8 | 179.3 | 143.2 | 0 | 0 | 111.7 | A74 S75 A80 K81 F82 | A74-E78 WeakPolarHBondContact CA-OE2 3.41Å; A74-E78 HydrophobicContact CB-CB 3.77Å; S75-E78 PolarHBondContact N-OE2 3.47Å; S75-E78 PolarHBondContact O-N 3.29Å; S75-E78 PolarHBondContact OG-N 3.48Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 3.28Å; E78-K81 VanDerWaalsContact O-CB 3.23Å; E78-K81 WeakPolarHBondContact O-CB 3.23Å; E78-K81 PolarHBondContact O-N 2.95Å; E78-F82 VanDerWaalsContact O-CD2 3.31Å; E78-F82 WeakPolarHBondContact O-CD2 3.34Å |
| 79 | E | 84.6 | Confident | 89.2 | Confident | 35 Ų | 35 | 49.3 Ų | 49.3 | 16% | 0.164 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.4 | -40.1 | 172 | -70.1 | -179.6 | 159.7 | 0 | 0 | 111 | L71 A74 S75 K81 F82 V83 K121 | L71-E79 HydrophobicContact CD2-CB 4.45Å; L71-E79 HydrophobicContact CD2-CG 4.16Å; A74-E79 HydrophobicContact CB-CG 3.57Å; S75-E79 PolarHBondContact O-N 3.32Å; E79-K81 PolarHBondContact O-N 3.01Å; E79-F82 PolarHBondContact O-N 3.47Å; E79-F82 VanDerWaalsContact O-N 3.07Å; E79-V83 PolarHBondContact O-N 3.45Å; E79-K121 HydrophobicContact CB-CD 4.4Å; E79-K121 WeakPolarHBondContact OE2-CE 3.36Å; E79-K121 IonicContact OE2-NZ 3.92Å; E79-K121 PolarHBondContact OE2-NZ 3.44Å |
| 80 | A | 86.8 | Confident | 89.5 | Confident | 57 Ų | 57 | 47.4 Ų | 47.4 | 47% | 0.471 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -33.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P76 E77 E78 F82 V83 | P76-A80 PolarHBondContact O-N 3.36Å; P76-A80 VanDerWaalsContact O-N 3.14Å; E77-A80 WeakPolarHBondContact O-CB 3.42Å; E77-A80 PolarHBondContact O-N 3.34Å; E78-A80 VanDerWaalsContact C-N 3.27Å; E78-A80 PolarHBondContact O-N 3.28Å; A80-F82 VanDerWaalsContact C-N 3.26Å; A80-F82 PolarHBondContact O-N 3.02Å; A80-V83 WeakPolarHBondContact O-CB 3.29Å; A80-V83 WeakPolarHBondContact O-CG2 3.44Å; A80-V83 PolarHBondContact O-N 3.27Å |
| 81 | K | 88.3 | Confident | 89.8 | Confident | 96 Ų | 96 | 47.8 Ų | 47.8 | 42% | 0.417 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.1 | -35.3 | 175.1 | -169.2 | -165.8 | -178 | -161.4 | 0 | 112.2 | V43 P45 E77 E78 E79 | V43-K81 PolarHBondContact O-NZ 3.41Å; V43-K81 VanDerWaalsContact O-NZ 3.16Å; P45-K81 HydrophobicContact CG-CD 4.44Å; P45-K81 HydrophobicContact CG-CG 3.82Å; P45-K81 WeakPolarHBondContact CG-O 3.42Å; E77-K81 PolarHBondContact O-N 3.35Å; E78-K81 VanDerWaalsContact O-CB 3.23Å; E78-K81 WeakPolarHBondContact O-CB 3.23Å; E78-K81 PolarHBondContact O-N 2.95Å; E79-K81 PolarHBondContact O-N 3.01Å |
| 82 | F | 92.3 | Very high | 89.9 | Confident | 9 Ų | 9 | 47.7 Ų | 47.7 | 4% | 0.039 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 0.6 | -175.4 | -67.2 | -68 | 0 | 0 | 0 | 114.2 | V43 P45 L67 L70 L71 E78 E79 A80 E84 C85 L118 | V43-F82 HydrophobicContact CG1-CE1 4.05Å; V43-F82 HydrophobicContact CG1-CZ 4.33Å; P45-F82 HydrophobicContact CG-CD1 4.23Å; P45-F82 HydrophobicContact CG-CE1 4.4Å; L67-F82 HydrophobicContact CD1-CB 4.08Å; L67-F82 HydrophobicContact CD1-CD1 4.1Å; L67-F82 HydrophobicContact CD1-CG 4.07Å; L70-F82 HydrophobicContact CB-CE2 4.31Å; L70-F82 HydrophobicContact CD1-CE1 4.23Å; L70-F82 HydrophobicContact CD1-CE2 4.27Å; L70-F82 HydrophobicContact CD1-CZ 3.75Å; L71-F82 HydrophobicContact CD2-CB 4.36Å; E78-F82 VanDerWaalsContact O-CD2 3.31Å; E78-F82 WeakPolarHBondContact O-CD2 3.34Å; E79-F82 PolarHBondContact O-N 3.47Å; E79-F82 VanDerWaalsContact O-N 3.07Å; A80-F82 VanDerWaalsContact C-N 3.26Å; A80-F82 PolarHBondContact O-N 3.02Å; F82-E84 PolarHBondContact O-N 3.4Å; F82-C85 VanDerWaalsContact O-CB 3.3Å; F82-C85 WeakPolarHBondContact O-CB 3.3Å; F82-C85 PolarHBondContact O-N 3.44Å; F82-L118 HydrophobicContact CB-CD2 4.41Å |
| 83 | V | 92.6 | Very high | 90.2 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 18% | 0.176 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -58.6 | -35.2 | 176.2 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | E79 A80 C85 F86 L118 K121 I122 | E79-V83 PolarHBondContact O-N 3.45Å; A80-V83 WeakPolarHBondContact O-CB 3.29Å; A80-V83 WeakPolarHBondContact O-CG2 3.44Å; A80-V83 PolarHBondContact O-N 3.27Å; V83-C85 PolarHBondContact O-N 2.87Å; V83-C85 VanDerWaalsContact O-N 3.15Å; V83-F86 VanDerWaalsContact O-CB 3.28Å; V83-F86 WeakPolarHBondContact O-CB 3.33Å; V83-F86 PolarHBondContact O-N 2.85Å; V83-F86 VanDerWaalsContact O-N 3.13Å; V83-L118 HydrophobicContact CG2-CD2 4.37Å; V83-K121 HydrophobicContact CG1-CB 4.43Å; V83-K121 HydrophobicContact CG2-CB 3.69Å; V83-K121 HydrophobicContact CG2-CD 3.95Å; V83-K121 HydrophobicContact CG2-CG 4.47Å; V83-I122 HydrophobicContact CB-CD1 4.49Å; V83-I122 HydrophobicContact CG1-CD1 3.36Å; V83-I122 HydrophobicContact CG1-CG1 4.3Å; V83-I122 WeakPolarHBondContact O-CD1 3.15Å |
| 84 | E | 91.6 | Very high | 90.6 | Very high | 108 Ų | 108 | 41 Ų | 41 | 51% | 0.505 | 23% | 0.229 | S | C | . | . | G | 310 helix | trans | -65.4 | -15.4 | 177 | 71.1 | 174.8 | -126.1 | 0 | 0 | 114.1 | P45 F82 F86 | P45-E84 HydrophobicContact CB-CG 3.47Å; P45-E84 VanDerWaalsContact CB-CG 3.47Å; P45-E84 WeakPolarHBondContact CB-OE1 3.28Å; P45-E84 HydrophobicContact CG-CG 4.16Å; F82-E84 PolarHBondContact O-N 3.4Å; E84-F86 VanDerWaalsContact C-N 3.26Å; E84-F86 PolarHBondContact O-N 2.69Å |
| 85 | C | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -78.6 | -10.9 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 113.3 | M48 N49 L52 F82 V83 S88 L89 | M48-C85 HydrophobicContact CG-CB 4.48Å; N49-C85 VanDerWaalsContact OD1-CA 3.31Å; N49-C85 WeakPolarHBondContact OD1-CA 3.21Å; L52-C85 HydrophobicContact CD1-CB 4.39Å; F82-C85 VanDerWaalsContact O-CB 3.3Å; F82-C85 WeakPolarHBondContact O-CB 3.3Å; F82-C85 PolarHBondContact O-N 3.44Å; V83-C85 PolarHBondContact O-N 2.87Å; V83-C85 VanDerWaalsContact O-N 3.15Å; C85-S88 PolarHBondContact O-N 2.8Å; C85-L89 PolarHBondContact O-N 3.49Å |
| 86 | F | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -43.6 | -170.6 | -173.4 | -101.4 | 0 | 0 | 0 | 114.2 | V83 E84 S88 L89 V90 V115 L118 F119 I122 L128 V132 | V83-F86 VanDerWaalsContact O-CB 3.28Å; V83-F86 WeakPolarHBondContact O-CB 3.33Å; V83-F86 PolarHBondContact O-N 2.85Å; V83-F86 VanDerWaalsContact O-N 3.13Å; E84-F86 VanDerWaalsContact C-N 3.26Å; E84-F86 PolarHBondContact O-N 2.69Å; F86-S88 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 3Å; F86-L89 HydrophobicContact CD2-CD2 4.37Å; F86-L89 WeakPolarHBondContact O-CB 3.42Å; F86-L89 PolarHBondContact O-N 3.02Å; F86-V90 HydrophobicContact CD1-CG2 4.27Å; F86-V90 HydrophobicContact CE1-CG2 3.83Å; F86-V90 HydrophobicContact CE2-CG2 4.46Å; F86-V90 HydrophobicContact CZ-CG2 3.91Å; F86-V90 WeakPolarHBondContact O-CG2 3.3Å; F86-V90 PolarHBondContact O-N 3.25Å; F86-V115 HydrophobicContact CE2-CB 4.43Å; F86-V115 HydrophobicContact CE2-CG1 4.11Å; F86-V115 HydrophobicContact CE2-CG2 4.33Å; F86-V115 HydrophobicContact CZ-CG1 4.43Å; F86-L118 HydrophobicContact CD2-CB 3.66Å; F86-L118 HydrophobicContact CD2-CD1 4.38Å; F86-L118 HydrophobicContact CE2-CB 4.33Å; F86-L118 HydrophobicContact CG-CB 4.48Å; F86-F119 HydrophobicContact CE1-CD2 4.24Å; F86-F119 HydrophobicContact CE2-CB 4.11Å; F86-F119 HydrophobicContact CE2-CD2 4.48Å; F86-F119 HydrophobicContact CZ-CB 4.14Å; F86-F119 AromaticContact CZ-CD2 3.69Å; F86-F119 HydrophobicContact CZ-CD2 3.69Å; F86-F119 HydrophobicContact CZ-CG 4.43Å; F86-I122 HydrophobicContact CB-CD1 3.35Å; F86-I122 HydrophobicContact CB-CG1 4.01Å; F86-I122 HydrophobicContact CD1-CB 4.47Å; F86-I122 HydrophobicContact CD1-CD1 3.71Å; F86-I122 HydrophobicContact CD1-CG1 3.6Å; F86-I122 HydrophobicContact CD1-CG2 4.28Å; F86-I122 HydrophobicContact CD2-CG1 4.27Å; F86-I122 HydrophobicContact CE1-CG1 4.14Å; F86-I122 HydrophobicContact CG-CD1 3.61Å; F86-I122 HydrophobicContact CG-CG1 3.68Å; F86-L128 HydrophobicContact CD1-CD2 3.97Å; F86-L128 HydrophobicContact CE1-CD2 4.18Å; F86-L128 HydrophobicContact CE1-CG 4.29Å; F86-V132 HydrophobicContact CE1-CG2 3.9Å; F86-V132 HydrophobicContact CZ-CG2 3.76Å |
| 87 | P | 95 | Very high | 91.5 | Very high | 62 Ų | 62 | 39.7 Ų | 39.7 | 40% | 0.403 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60 | -39.3 | 176.3 | -24.2 | 35.8 | 0 | 0 | 0 | 113 | V90 G91 L128 | P87-V90 PolarHBondContact O-N 3.35Å; P87-G91 PolarHBondContact O-N 3.5Å; P87-L128 HydrophobicContact CG-CD2 4.32Å |
| 88 | S | 95.9 | Very high | 91.6 | Very high | 17 Ų | 17 | 38.1 Ų | 38.1 | 12% | 0.119 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.9 | -36.1 | 177.3 | -50.3 | 0 | 0 | 0 | 0 | 111.9 | N49 E53 C85 F86 G91 F92 | N49-S88 WeakPolarHBondContact OD1-CB 3.44Å; N49-S88 PolarHBondContact OD1-OG 2.93Å; E53-S88 PolarHBondContact OE1-OG 3.22Å; C85-S88 PolarHBondContact O-N 2.8Å; F86-S88 VanDerWaalsContact C-N 3.3Å; F86-S88 PolarHBondContact O-N 3Å; S88-G91 PolarHBondContact O-N 3.29Å; S88-F92 VanDerWaalsContact O-CB 3.27Å; S88-F92 WeakPolarHBondContact O-CB 3.37Å; S88-F92 PolarHBondContact O-N 3.15Å |
| 89 | L | 96.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 171.3 | 176.2 | 65.9 | 0 | 0 | 0 | 111.2 | L52 V64 C85 F86 F92 M93 C114 V115 L118 | L52-L89 HydrophobicContact CD1-CB 4.19Å; L52-L89 HydrophobicContact CD2-CD1 4.41Å; V64-L89 HydrophobicContact CG2-CD1 3.83Å; C85-L89 PolarHBondContact O-N 3.49Å; F86-L89 HydrophobicContact CD2-CD2 4.37Å; F86-L89 WeakPolarHBondContact O-CB 3.42Å; F86-L89 PolarHBondContact O-N 3.02Å; L89-F92 HydrophobicContact CD1-CD1 4.38Å; L89-F92 WeakPolarHBondContact O-CB 3.08Å; L89-F92 PolarHBondContact O-N 3.39Å; L89-M93 HydrophobicContact CD1-CG 4.34Å; L89-M93 HydrophobicContact CD1-SD 4.18Å; L89-M93 HydrophobicContact CG-SD 4.12Å; L89-M93 VanDerWaalsContact O-CG 3.24Å; L89-M93 WeakPolarHBondContact O-CG 3.2Å; L89-M93 PolarHBondContact O-N 2.7Å; L89-C114 HydrophobicContact CD1-CB 4.23Å; L89-C114 HydrophobicContact CD2-CB 3.52Å; L89-V115 HydrophobicContact CD2-CG2 3.77Å; L89-V115 HydrophobicContact CG-CG2 4.26Å; L89-L118 HydrophobicContact CD2-CD1 4.31Å |
| 90 | V | 95.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.6 | -47.8 | 176 | 175 | 0 | 0 | 0 | 0 | 110.6 | F86 P87 F92 M93 E94 L128 R131 V132 | F86-V90 HydrophobicContact CD1-CG2 4.27Å; F86-V90 HydrophobicContact CE1-CG2 3.83Å; F86-V90 HydrophobicContact CE2-CG2 4.46Å; F86-V90 HydrophobicContact CZ-CG2 3.91Å; F86-V90 WeakPolarHBondContact O-CG2 3.3Å; F86-V90 PolarHBondContact O-N 3.25Å; P87-V90 PolarHBondContact O-N 3.35Å; V90-F92 VanDerWaalsContact C-N 3.32Å; V90-F92 PolarHBondContact O-N 3.31Å; V90-M93 PolarHBondContact O-N 2.8Å; V90-M93 VanDerWaalsContact O-N 3.15Å; V90-E94 HydrophobicContact CG1-CG 4.47Å; V90-E94 WeakPolarHBondContact O-CG 3.24Å; V90-E94 PolarHBondContact O-N 3.05Å; V90-L128 HydrophobicContact CB-CD1 4.26Å; V90-L128 HydrophobicContact CG1-CD1 4.29Å; V90-L128 HydrophobicContact CG2-CD1 4.14Å; V90-R131 HydrophobicContact CG1-CB 4.24Å; V90-V132 HydrophobicContact CG1-CG2 4.45Å; V90-V132 HydrophobicContact CG2-CG2 3.67Å |
| 91 | G | 95 | Very high | 90.5 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.1 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | P87 S88 K95 | P87-G91 PolarHBondContact O-N 3.5Å; S88-G91 PolarHBondContact O-N 3.29Å; G91-K95 WeakPolarHBondContact O-CG 3.34Å; G91-K95 PolarHBondContact O-N 3Å; G91-K95 VanDerWaalsContact O-N 3.16Å |
| 92 | F | 94.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58.9 | -51.4 | 171.1 | 163.2 | -99.9 | 0 | 0 | 0 | 111.4 | L52 P56 V64 S88 L89 V90 E94 K95 L96 T107 | L52-F92 HydrophobicContact CB-CB 4.2Å; L52-F92 HydrophobicContact CD2-CB 4.34Å; L52-F92 HydrophobicContact CD2-CD1 4.42Å; L52-F92 HydrophobicContact CD2-CG 4.21Å; L52-F92 WeakPolarHBondContact O-CB 3.33Å; P56-F92 HydrophobicContact CB-CD2 4.22Å; P56-F92 HydrophobicContact CB-CE2 4.07Å; P56-F92 WeakPolarHBondContact O-CE2 3.24Å; V64-F92 HydrophobicContact CB-CE1 4.38Å; V64-F92 HydrophobicContact CG2-CD1 3.62Å; V64-F92 HydrophobicContact CG2-CE1 3.37Å; V64-F92 HydrophobicContact CG2-CG 4.44Å; V64-F92 HydrophobicContact CG2-CZ 3.96Å; S88-F92 VanDerWaalsContact O-CB 3.27Å; S88-F92 WeakPolarHBondContact O-CB 3.37Å; S88-F92 PolarHBondContact O-N 3.15Å; L89-F92 HydrophobicContact CD1-CD1 4.38Å; L89-F92 WeakPolarHBondContact O-CB 3.08Å; L89-F92 PolarHBondContact O-N 3.39Å; V90-F92 VanDerWaalsContact C-N 3.32Å; V90-F92 PolarHBondContact O-N 3.31Å; F92-E94 VanDerWaalsContact C-N 3.32Å; F92-E94 PolarHBondContact O-N 3.2Å; F92-K95 PolarHBondContact O-N 3.1Å; F92-L96 HydrophobicContact CE1-CD2 4.13Å; F92-L96 HydrophobicContact CZ-CD1 4.29Å; F92-L96 HydrophobicContact CZ-CD2 4.12Å; F92-L96 WeakPolarHBondContact O-CB 3.2Å; F92-L96 PolarHBondContact O-N 2.75Å; F92-T107 HydrophobicContact CZ-CG2 4.04Å |
| 93 | M | 94.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.2 | -33.2 | -176.6 | -67.5 | 175.6 | 75.8 | 0 | 0 | 112.3 | L89 V90 L96 C97 L112 V115 L135 L139 | L89-M93 HydrophobicContact CD1-CG 4.34Å; L89-M93 HydrophobicContact CD1-SD 4.18Å; L89-M93 HydrophobicContact CG-SD 4.12Å; L89-M93 VanDerWaalsContact O-CG 3.24Å; L89-M93 WeakPolarHBondContact O-CG 3.2Å; L89-M93 PolarHBondContact O-N 2.7Å; V90-M93 PolarHBondContact O-N 2.8Å; V90-M93 VanDerWaalsContact O-N 3.15Å; M93-L96 WeakPolarHBondContact O-CB 3.24Å; M93-L96 PolarHBondContact O-N 3.31Å; M93-C97 PolarHBondContact O-N 3.49Å; M93-C97 PolarHBondContact O-SG 2.9Å; M93-L112 HydrophobicContact CE-CD2 4.4Å; M93-V115 HydrophobicContact CE-CG2 4.07Å; M93-V115 HydrophobicContact SD-CG2 3.44Å; M93-V115 WeakPolarHBondContact SD-CG2 3.12Å; M93-L135 HydrophobicContact CB-CD1 3.68Å; M93-L135 HydrophobicContact CB-CD2 3.51Å; M93-L135 HydrophobicContact CB-CG 4.17Å; M93-L135 HydrophobicContact CE-CD2 3.79Å; M93-L135 HydrophobicContact CE-CG 4.41Å; M93-L135 HydrophobicContact CG-CD2 4.24Å; M93-L135 HydrophobicContact SD-CD2 3.76Å; M93-L139 HydrophobicContact CE-CD1 3.37Å |
| 94 | E | 93.4 | Very high | 88.7 | Confident | 45 Ų | 45 | 49 Ų | 49 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -50.1 | 171.9 | -74 | 169.6 | 161.9 | 0 | 0 | 111.3 | V90 F92 L96 C97 D98 R131 L135 | V90-E94 HydrophobicContact CG1-CG 4.47Å; V90-E94 WeakPolarHBondContact O-CG 3.24Å; V90-E94 PolarHBondContact O-N 3.05Å; F92-E94 VanDerWaalsContact C-N 3.32Å; F92-E94 PolarHBondContact O-N 3.2Å; E94-L96 PolarHBondContact O-N 2.94Å; E94-C97 PolarHBondContact O-N 3.48Å; E94-D98 PolarHBondContact O-N 3.13Å; E94-R131 IonicContact OE1-CZ 3.39Å; E94-R131 IonicContact OE1-NE 2.72Å; E94-R131 PolarHBondContact OE1-NE 3.14Å; E94-R131 IonicContact OE1-NH2 2.74Å; E94-R131 PolarHBondContact OE1-NH2 3.4Å; E94-R131 IonicContact OE2-CZ 3.31Å; E94-R131 IonicContact OE2-NE 3.31Å; E94-R131 IonicContact OE2-NH2 2.71Å; E94-R131 PolarHBondContact OE2-NH2 3.09Å; E94-L135 HydrophobicContact CG-CD1 4.45Å |
| 95 | K | 91.7 | Very high | 88.3 | Confident | 97 Ų | 97 | 50 Ų | 50 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.3 | -36.5 | 175.2 | -69.3 | 174.1 | -176.8 | 178.9 | 0 | 112.2 | E53 P56 G91 F92 D98 S99 | E53-K95 PolarHBondContact O-NZ 2.88Å; P56-K95 HydrophobicContact CB-CB 4Å; P56-K95 HydrophobicContact CG-CB 4.11Å; G91-K95 WeakPolarHBondContact O-CG 3.34Å; G91-K95 PolarHBondContact O-N 3Å; G91-K95 VanDerWaalsContact O-N 3.16Å; F92-K95 PolarHBondContact O-N 3.1Å; K95-D98 PolarHBondContact O-N 3.44Å; K95-S99 WeakPolarHBondContact O-CB 3.14Å; K95-S99 PolarHBondContact O-N 3.23Å; K95-S99 VanDerWaalsContact O-N 3.11Å |
| 96 | L | 89.6 | Confident | 88 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 177.7 | -167.2 | 70.5 | 0 | 0 | 0 | 111.3 | P56 F92 M93 E94 D98 S99 V103 T107 Y108 | P56-L96 HydrophobicContact CB-CD1 4.37Å; F92-L96 HydrophobicContact CE1-CD2 4.13Å; F92-L96 HydrophobicContact CZ-CD1 4.29Å; F92-L96 HydrophobicContact CZ-CD2 4.12Å; F92-L96 WeakPolarHBondContact O-CB 3.2Å; F92-L96 PolarHBondContact O-N 2.75Å; M93-L96 WeakPolarHBondContact O-CB 3.24Å; M93-L96 PolarHBondContact O-N 3.31Å; E94-L96 PolarHBondContact O-N 2.94Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.23Å; L96-S99 WeakPolarHBondContact O-CB 3.46Å; L96-S99 PolarHBondContact O-N 2.72Å; L96-S99 PolarHBondContact O-OG 2.89Å; L96-V103 HydrophobicContact CD1-CB 4.23Å; L96-V103 HydrophobicContact CD1-CG1 3.67Å; L96-V103 HydrophobicContact CD1-CG2 3.46Å; L96-V103 VanDerWaalsContact CD1-CG2 3.46Å; L96-V103 HydrophobicContact CD2-CG1 4.09Å; L96-V103 HydrophobicContact CG-CG1 4.05Å; L96-V103 HydrophobicContact CG-CG2 4.04Å; L96-T107 HydrophobicContact CD1-CG2 4.5Å; L96-T107 HydrophobicContact CD2-CG2 3.94Å; L96-Y108 HydrophobicContact CD2-CD1 3.69Å; L96-Y108 HydrophobicContact CD2-CE1 3.48Å; L96-Y108 VanDerWaalsContact CD2-CE1 3.48Å; L96-Y108 HydrophobicContact CG-CE1 3.84Å |
| 97 | C | 88.6 | Confident | 87.7 | Confident | 21 Ų | 21 | 54.6 Ų | 54.6 | 14% | 0.142 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65.8 | -31.2 | 177.8 | -64.4 | 0 | 0 | 0 | 0 | 112.8 | M93 E94 S99 K138 L139 | M93-C97 PolarHBondContact O-N 3.49Å; M93-C97 PolarHBondContact O-SG 2.9Å; E94-C97 PolarHBondContact O-N 3.48Å; C97-S99 VanDerWaalsContact C-N 3.31Å; C97-K138 HydrophobicContact CB-CB 4.11Å; C97-K138 HydrophobicContact CB-CD 3.91Å; C97-L139 VanDerWaalsContact SG-CD2 3.52Å |
| 98 | D | 86.5 | Confident | 87.5 | Confident | 108 Ų | 108 | 52.5 Ų | 52.5 | 58% | 0.578 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.9 | 178.7 | -62.6 | -20.5 | 0 | 0 | 0 | 112.5 | E94 K95 L96 K138 | E94-D98 PolarHBondContact O-N 3.13Å; K95-D98 PolarHBondContact O-N 3.44Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.23Å; D98-K138 IonicContact OD1-NZ 2.59Å; D98-K138 PolarHBondContact OD1-NZ 3.47Å; D98-K138 IonicContact OD2-NZ 2.75Å; D98-K138 PolarHBondContact OD2-NZ 3.04Å |
| 99 | S | 80.7 | Confident | 87.3 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 21% | 0.21 | 30% | 0.302 | C | S | . | . | trans | -83.3 | 132.8 | 179.8 | 78.2 | 0 | 0 | 0 | 0 | 112 | K95 L96 C97 S101 | K95-S99 WeakPolarHBondContact O-CB 3.14Å; K95-S99 PolarHBondContact O-N 3.23Å; K95-S99 VanDerWaalsContact O-N 3.11Å; L96-S99 WeakPolarHBondContact O-CB 3.46Å; L96-S99 PolarHBondContact O-N 2.72Å; L96-S99 PolarHBondContact O-OG 2.89Å; C97-S99 VanDerWaalsContact C-N 3.31Å; S99-S101 PolarHBondContact O-N 3.42Å | ||
| 100 | D | 73.9 | Confident | 87.2 | Confident | 178 Ų | 178 | 56.6 Ų | 56.6 | 95% | 0.952 | 31% | 0.312 | S | S | * | . | trans | -74.1 | 1.1 | 172 | -68.6 | -39 | 0 | 0 | 0 | 113 | ||||
| 101 | S | 75.3 | Confident | 87.1 | Confident | 67 Ų | 67 | 56.6 Ų | 56.6 | 47% | 0.469 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -85.3 | 146.5 | -173.2 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | S99 V103 | S99-S101 PolarHBondContact O-N 3.42Å; S101-V103 PolarHBondContact O-N 2.91Å |
| 102 | A | 74.7 | Confident | 87.2 | Confident | 104 Ų | 104 | 55.8 Ų | 55.8 | 86% | 0.86 | 30% | 0.303 | S | S | * | . | trans | -68.8 | 99.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 103 | V | 78.4 | Confident | 87.2 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 17% | 0.17 | 32% | 0.316 | C | S | . | . | trans | -83.6 | 133 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 110 | L96 S101 Q105 T107 Y108 | L96-V103 HydrophobicContact CD1-CB 4.23Å; L96-V103 HydrophobicContact CD1-CG1 3.67Å; L96-V103 HydrophobicContact CD1-CG2 3.46Å; L96-V103 VanDerWaalsContact CD1-CG2 3.46Å; L96-V103 HydrophobicContact CD2-CG1 4.09Å; L96-V103 HydrophobicContact CG-CG1 4.05Å; L96-V103 HydrophobicContact CG-CG2 4.04Å; S101-V103 PolarHBondContact O-N 2.91Å; V103-Q105 PolarHBondContact O-N 2.97Å; V103-T107 HydrophobicContact CG1-CG2 4.25Å; V103-Y108 HydrophobicContact CB-CE2 3.84Å; V103-Y108 HydrophobicContact CG1-CD2 4.22Å; V103-Y108 HydrophobicContact CG1-CE1 4.39Å; V103-Y108 HydrophobicContact CG1-CE2 3.65Å | ||
| 104 | E | 81.1 | Confident | 87.3 | Confident | 145 Ų | 145 | 58.7 Ų | 58.7 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | trans | -63 | 132.4 | 173.7 | -65.9 | -176.4 | 174.2 | 0 | 0 | 110.9 | D106 T107 | E104-D106 PolarHBondContact O-N 3.5Å; E104-D106 VanDerWaalsContact O-N 3.11Å; E104-T107 VanDerWaalsContact O-CB 3.3Å; E104-T107 WeakPolarHBondContact O-CB 3.24Å; E104-T107 PolarHBondContact O-N 2.88Å; E104-T107 PolarHBondContact O-OG1 3.27Å | ||
| 105 | Q | 84.4 | Confident | 87.4 | Confident | 128 Ų | 128 | 56.6 Ų | 56.6 | 60% | 0.598 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -52.4 | -37.7 | -178.2 | -173.5 | 177.7 | 3.4 | 0 | 0 | 112.9 | V103 T107 Y108 L109 | V103-Q105 PolarHBondContact O-N 2.97Å; Q105-T107 PolarHBondContact O-N 3.44Å; Q105-Y108 WeakPolarHBondContact O-CB 3.42Å; Q105-Y108 PolarHBondContact O-N 2.93Å; Q105-Y108 VanDerWaalsContact O-N 3.15Å; Q105-L109 PolarHBondContact O-N 3.5Å |
| 106 | D | 87.3 | Confident | 87.6 | Confident | 85 Ų | 85 | 55.8 Ų | 55.8 | 46% | 0.455 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -57.4 | -33.3 | 177.7 | -84 | 0.2 | 0 | 0 | 0 | 112.9 | E104 Y108 L109 Y110 | E104-D106 PolarHBondContact O-N 3.5Å; E104-D106 VanDerWaalsContact O-N 3.11Å; D106-Y108 VanDerWaalsContact C-N 3.34Å; D106-Y108 PolarHBondContact O-N 3.44Å; D106-L109 PolarHBondContact O-N 2.96Å; D106-L109 VanDerWaalsContact O-N 3.17Å; D106-Y110 HydrophobicContact CB-CD2 4.23Å; D106-Y110 HydrophobicContact CB-CE2 3.84Å; D106-Y110 WeakPolarHBondContact O-CD2 3.26Å; D106-Y110 PolarHBondContact O-N 2.99Å |
| 107 | T | 89.6 | Confident | 87.8 | Confident | 12 Ų | 12 | 57.5 Ų | 57.5 | 7% | 0.074 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 178.4 | -54.5 | 0 | 0 | 0 | 0 | 111 | A61 F92 L96 V103 E104 Q105 S111 | A61-T107 HydrophobicContact CB-CG2 3.89Å; F92-T107 HydrophobicContact CZ-CG2 4.04Å; L96-T107 HydrophobicContact CD1-CG2 4.5Å; L96-T107 HydrophobicContact CD2-CG2 3.94Å; V103-T107 HydrophobicContact CG1-CG2 4.25Å; E104-T107 VanDerWaalsContact O-CB 3.3Å; E104-T107 WeakPolarHBondContact O-CB 3.24Å; E104-T107 PolarHBondContact O-N 2.88Å; E104-T107 PolarHBondContact O-OG1 3.27Å; Q105-T107 PolarHBondContact O-N 3.44Å; T107-S111 WeakPolarHBondContact O-CB 3.4Å; T107-S111 PolarHBondContact O-N 3.45Å; T107-S111 PolarHBondContact O-OG 2.85Å |
| 108 | Y | 91.1 | Very high | 88 | Confident | 17 Ų | 17 | 56.5 Ų | 56.5 | 7% | 0.067 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.7 | -63.5 | -64.6 | 0 | 0 | 0 | 111.6 | L96 V103 Q105 D106 S111 L112 L139 H142 | L96-Y108 HydrophobicContact CD2-CD1 3.69Å; L96-Y108 HydrophobicContact CD2-CE1 3.48Å; L96-Y108 VanDerWaalsContact CD2-CE1 3.48Å; L96-Y108 HydrophobicContact CG-CE1 3.84Å; V103-Y108 HydrophobicContact CB-CE2 3.84Å; V103-Y108 HydrophobicContact CG1-CD2 4.22Å; V103-Y108 HydrophobicContact CG1-CE1 4.39Å; V103-Y108 HydrophobicContact CG1-CE2 3.65Å; Q105-Y108 WeakPolarHBondContact O-CB 3.42Å; Q105-Y108 PolarHBondContact O-N 2.93Å; Q105-Y108 VanDerWaalsContact O-N 3.15Å; D106-Y108 VanDerWaalsContact C-N 3.34Å; D106-Y108 PolarHBondContact O-N 3.44Å; Y108-S111 PolarHBondContact O-N 3.48Å; Y108-L112 WeakPolarHBondContact O-CB 3.24Å; Y108-L112 WeakPolarHBondContact O-CG 3.38Å; Y108-L112 PolarHBondContact O-N 2.96Å; Y108-L139 HydrophobicContact CD1-CD2 3.36Å; Y108-L139 HydrophobicContact CE1-CD2 3.67Å; Y108-L139 HydrophobicContact CG-CD2 4.37Å; Y108-H142 HydrophobicContact CD2-CB 4.41Å; Y108-H142 HydrophobicContact CE2-CB 4.21Å |
| 109 | L | 92.3 | Very high | 88.4 | Confident | 52 Ų | 52 | 51.4 Ų | 51.4 | 27% | 0.272 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -45.6 | 179.3 | -60.3 | 179.7 | 0 | 0 | 0 | 112 | Q105 D106 S111 F113 K146 | Q105-L109 PolarHBondContact O-N 3.5Å; D106-L109 PolarHBondContact O-N 2.96Å; D106-L109 VanDerWaalsContact O-N 3.17Å; L109-S111 VanDerWaalsContact C-N 3.32Å; L109-F113 WeakPolarHBondContact O-CB 3.3Å; L109-F113 PolarHBondContact O-N 3.14Å; L109-K146 HydrophobicContact CD2-CB 3.78Å; L109-K146 HydrophobicContact CD2-CD 4.4Å; L109-K146 HydrophobicContact CD2-CG 3.62Å |
| 110 | Y | 93.3 | Very high | 88.9 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 20% | 0.204 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 176.2 | -66.7 | -59.3 | 0 | 0 | 0 | 111.9 | V64 V65 S68 D106 F113 C114 | V64-Y110 VanDerWaalsContact CG1-C 3.43Å; V65-Y110 HydrophobicContact CG2-CD2 3.7Å; V65-Y110 HydrophobicContact CG2-CE2 3.93Å; V65-Y110 HydrophobicContact CG2-CG 4.38Å; S68-Y110 VanDerWaalsContact OG-CD1 3.28Å; S68-Y110 WeakPolarHBondContact OG-CD1 3.4Å; D106-Y110 HydrophobicContact CB-CD2 4.23Å; D106-Y110 HydrophobicContact CB-CE2 3.84Å; D106-Y110 WeakPolarHBondContact O-CD2 3.26Å; D106-Y110 PolarHBondContact O-N 2.99Å; Y110-F113 WeakPolarHBondContact O-CB 3.49Å; Y110-F113 PolarHBondContact O-N 2.97Å; Y110-C114 PolarHBondContact O-N 3.36Å; Y110-C114 PolarHBondContact O-SG 3.34Å |
| 111 | S | 94.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.5 | -49.5 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | V64 T107 Y108 L109 F113 C114 V115 | V64-S111 VanDerWaalsContact CG1-N 3.33Å; T107-S111 WeakPolarHBondContact O-CB 3.4Å; T107-S111 PolarHBondContact O-N 3.45Å; T107-S111 PolarHBondContact O-OG 2.85Å; Y108-S111 PolarHBondContact O-N 3.48Å; L109-S111 VanDerWaalsContact C-N 3.32Å; S111-F113 VanDerWaalsContact C-N 3.28Å; S111-F113 PolarHBondContact O-N 3.1Å; S111-C114 WeakPolarHBondContact O-CB 3.45Å; S111-C114 PolarHBondContact O-N 3.05Å; S111-C114 VanDerWaalsContact O-N 3.08Å; S111-V115 WeakPolarHBondContact O-CG2 3.35Å; S111-V115 PolarHBondContact O-N 3.06Å |
| 112 | L | 96 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.1 | -37.2 | 175.1 | -76.4 | 174 | 0 | 0 | 0 | 112 | M93 Y108 V115 R116 F136 L139 K146 V147 V150 | M93-L112 HydrophobicContact CE-CD2 4.4Å; Y108-L112 WeakPolarHBondContact O-CB 3.24Å; Y108-L112 WeakPolarHBondContact O-CG 3.38Å; Y108-L112 PolarHBondContact O-N 2.96Å; L112-V115 PolarHBondContact O-N 3.29Å; L112-R116 WeakPolarHBondContact O-CB 3.3Å; L112-R116 PolarHBondContact O-N 2.98Å; L112-F136 HydrophobicContact CD2-CE1 4.1Å; L112-F136 HydrophobicContact CD2-CE2 4.34Å; L112-F136 HydrophobicContact CD2-CZ 3.91Å; L112-L139 HydrophobicContact CD2-CD1 3.97Å; L112-L139 HydrophobicContact CG-CD1 4.47Å; L112-K146 HydrophobicContact CD1-CB 4.12Å; L112-K146 HydrophobicContact CD1-CG 3.8Å; L112-V147 HydrophobicContact CD1-CG2 3.88Å; L112-V150 HydrophobicContact CB-CG2 4.18Å |
| 113 | F | 95.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 28% | 0.276 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -61 | -45.3 | 172.1 | 176.3 | -89 | 0 | 0 | 0 | 111.9 | S68 L71 A72 L109 Y110 S111 R116 N117 | S68-F113 VanDerWaalsContact O-CE1 3.25Å; S68-F113 WeakPolarHBondContact O-CE1 3.36Å; L71-F113 HydrophobicContact CB-CE1 3.99Å; A72-F113 HydrophobicContact CB-CE1 4.25Å; A72-F113 HydrophobicContact CB-CZ 3.88Å; L109-F113 WeakPolarHBondContact O-CB 3.3Å; L109-F113 PolarHBondContact O-N 3.14Å; Y110-F113 WeakPolarHBondContact O-CB 3.49Å; Y110-F113 PolarHBondContact O-N 2.97Å; S111-F113 VanDerWaalsContact C-N 3.28Å; S111-F113 PolarHBondContact O-N 3.1Å; F113-R116 PolarHBondContact O-N 2.91Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.45Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.47Å; F113-N117 VanDerWaalsContact CZ-ND2 3.28Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.41Å; F113-N117 PolarHBondContact O-N 2.92Å; F113-N117 PolarHBondContact O-ND2 3.33Å |
| 114 | C | 95.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.5 | -44.9 | 177.9 | -63.1 | 0 | 0 | 0 | 0 | 111.3 | L67 S68 L71 L89 Y110 S111 R116 N117 L118 | L67-C114 HydrophobicContact CD2-CB 4.15Å; L67-C114 HydrophobicContact CG-CB 4.44Å; S68-C114 PolarHBondContact N-SG 3.35Å; S68-C114 VanDerWaalsContact N-SG 3.45Å; L71-C114 HydrophobicContact CD1-CB 4.11Å; L89-C114 HydrophobicContact CD1-CB 4.23Å; L89-C114 HydrophobicContact CD2-CB 3.52Å; Y110-C114 PolarHBondContact O-N 3.36Å; Y110-C114 PolarHBondContact O-SG 3.34Å; S111-C114 WeakPolarHBondContact O-CB 3.45Å; S111-C114 PolarHBondContact O-N 3.05Å; S111-C114 VanDerWaalsContact O-N 3.08Å; C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 3.34Å; C114-N117 PolarHBondContact O-N 3.35Å; C114-L118 WeakPolarHBondContact O-CB 3.47Å; C114-L118 WeakPolarHBondContact O-CG 3.37Å; C114-L118 PolarHBondContact O-N 3.36Å |
| 115 | V | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.5 | -46 | 177.3 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | F86 L89 M93 S111 L112 N117 L118 F119 V132 F136 | F86-V115 HydrophobicContact CE2-CB 4.43Å; F86-V115 HydrophobicContact CE2-CG1 4.11Å; F86-V115 HydrophobicContact CE2-CG2 4.33Å; F86-V115 HydrophobicContact CZ-CG1 4.43Å; L89-V115 HydrophobicContact CD2-CG2 3.77Å; L89-V115 HydrophobicContact CG-CG2 4.26Å; M93-V115 HydrophobicContact CE-CG2 4.07Å; M93-V115 HydrophobicContact SD-CG2 3.44Å; M93-V115 WeakPolarHBondContact SD-CG2 3.12Å; S111-V115 WeakPolarHBondContact O-CG2 3.35Å; S111-V115 PolarHBondContact O-N 3.06Å; L112-V115 PolarHBondContact O-N 3.29Å; V115-N117 VanDerWaalsContact C-N 3.27Å; V115-N117 PolarHBondContact O-N 2.97Å; V115-L118 PolarHBondContact O-N 3.39Å; V115-F119 HydrophobicContact CG1-CB 4.32Å; V115-F119 WeakPolarHBondContact O-CB 3.29Å; V115-F119 PolarHBondContact O-N 3.32Å; V115-V132 HydrophobicContact CG1-CG1 4.49Å; V115-F136 HydrophobicContact CG1-CE2 3.92Å; V115-F136 HydrophobicContact CG1-CZ 4.16Å |
| 116 | R | 94.8 | Very high | 92.6 | Very high | 80 Ų | 80 | 46.8 Ų | 46.8 | 30% | 0.302 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -53.3 | -42.3 | 177.8 | 179.5 | -176.7 | 156.1 | 167.2 | 2.4 | 112.9 | L112 F113 C114 P120 E149 V150 V153 | L112-R116 WeakPolarHBondContact O-CB 3.3Å; L112-R116 PolarHBondContact O-N 2.98Å; F113-R116 PolarHBondContact O-N 2.91Å; C114-R116 VanDerWaalsContact C-N 3.34Å; C114-R116 PolarHBondContact O-N 3.34Å; R116-P120 VanDerWaalsContact O-CD 3.32Å; R116-P120 WeakPolarHBondContact O-CD 3.35Å; R116-E149 IonicContact NH1-OE1 2.65Å; R116-E149 PolarHBondContact NH1-OE1 3.31Å; R116-V150 HydrophobicContact CB-CG1 3.89Å; R116-V150 HydrophobicContact CG-CG1 4.42Å; R116-V153 HydrophobicContact CG-CG1 4.03Å |
| 117 | N | 93.6 | Very high | 93 | Very high | 38 Ų | 38 | 49.6 Ų | 49.6 | 20% | 0.203 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -82.9 | -31.4 | -175.8 | -72 | -76.8 | 0 | 0 | 0 | 113 | L71 F113 C114 V115 | L71-N117 HydrophobicContact CD1-CB 4.3Å; F113-N117 WeakPolarHBondContact CE1-ND2 3.45Å; F113-N117 WeakPolarHBondContact CE2-ND2 3.47Å; F113-N117 VanDerWaalsContact CZ-ND2 3.28Å; F113-N117 WeakPolarHBondContact CZ-ND2 3.41Å; F113-N117 PolarHBondContact O-N 2.92Å; F113-N117 PolarHBondContact O-ND2 3.33Å; C114-N117 PolarHBondContact O-N 3.35Å; V115-N117 VanDerWaalsContact C-N 3.27Å; V115-N117 PolarHBondContact O-N 2.97Å |
| 118 | L | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -90 | -38.6 | -175.9 | -66.2 | -179.9 | 0 | 0 | 0 | 113 | L67 L71 F82 V83 F86 L89 C114 V115 P120 K121 I122 | L67-L118 HydrophobicContact CD2-CD1 4.36Å; L71-L118 HydrophobicContact CD1-CD1 4.19Å; L71-L118 HydrophobicContact CD1-CD2 4.23Å; L71-L118 HydrophobicContact CD1-CG 3.95Å; L71-L118 HydrophobicContact CD2-CD2 3.85Å; L71-L118 HydrophobicContact CD2-CG 4.48Å; F82-L118 HydrophobicContact CB-CD2 4.41Å; V83-L118 HydrophobicContact CG2-CD2 4.37Å; F86-L118 HydrophobicContact CD2-CB 3.66Å; F86-L118 HydrophobicContact CD2-CD1 4.38Å; F86-L118 HydrophobicContact CE2-CB 4.33Å; F86-L118 HydrophobicContact CG-CB 4.48Å; L89-L118 HydrophobicContact CD2-CD1 4.31Å; C114-L118 WeakPolarHBondContact O-CB 3.47Å; C114-L118 WeakPolarHBondContact O-CG 3.37Å; C114-L118 PolarHBondContact O-N 3.36Å; V115-L118 PolarHBondContact O-N 3.39Å; L118-P120 VanDerWaalsContact C-CD 3.48Å; L118-K121 WeakPolarHBondContact O-CB 3.48Å; L118-K121 PolarHBondContact O-N 2.99Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å |
| 119 | F | 94.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -53.5 | -44.1 | -173.5 | -178.6 | -97.3 | 0 | 0 | 0 | 114.4 | F86 V115 K121 I122 F129 V132 L154 S158 I164 | F86-F119 HydrophobicContact CE1-CD2 4.24Å; F86-F119 HydrophobicContact CE2-CB 4.11Å; F86-F119 HydrophobicContact CE2-CD2 4.48Å; F86-F119 HydrophobicContact CZ-CB 4.14Å; F86-F119 AromaticContact CZ-CD2 3.69Å; F86-F119 HydrophobicContact CZ-CD2 3.69Å; F86-F119 HydrophobicContact CZ-CG 4.43Å; V115-F119 HydrophobicContact CG1-CB 4.32Å; V115-F119 WeakPolarHBondContact O-CB 3.29Å; V115-F119 PolarHBondContact O-N 3.32Å; F119-K121 PolarHBondContact O-N 2.98Å; F119-I122 PolarHBondContact O-N 3.36Å; F119-I122 VanDerWaalsContact O-N 3.17Å; F119-F129 HydrophobicContact CD2-CE1 4.49Å; F119-F129 HydrophobicContact CE1-CE1 4.19Å; F119-F129 AromaticContact CE2-CD1 3.62Å; F119-F129 HydrophobicContact CE2-CD1 3.62Å; F119-F129 HydrophobicContact CE2-CD2 4.35Å; F119-F129 AromaticContact CE2-CE1 3.59Å; F119-F129 HydrophobicContact CE2-CE1 3.59Å; F119-F129 HydrophobicContact CE2-CE2 4.34Å; F119-F129 HydrophobicContact CE2-CG 4.02Å; F119-F129 AromaticContact CE2-CZ 3.97Å; F119-F129 HydrophobicContact CE2-CZ 3.97Å; F119-F129 AromaticContact CZ-CD1 3.47Å; F119-F129 HydrophobicContact CZ-CD1 3.47Å; F119-F129 VanDerWaalsContact CZ-CD1 3.47Å; F119-F129 AromaticContact CZ-CE1 3.42Å; F119-F129 HydrophobicContact CZ-CE1 3.42Å; F119-F129 VanDerWaalsContact CZ-CE1 3.42Å; F119-F129 HydrophobicContact CZ-CG 4.29Å; F119-F129 HydrophobicContact CZ-CZ 4.21Å; F119-V132 HydrophobicContact CD2-CG1 4.28Å; F119-V132 HydrophobicContact CE2-CB 4.44Å; F119-V132 HydrophobicContact CE2-CG1 4.16Å; F119-V132 HydrophobicContact CE2-CG2 4.49Å; F119-L154 HydrophobicContact CB-CD2 4.13Å; F119-L154 HydrophobicContact CD1-CD1 4.11Å; F119-L154 HydrophobicContact CD1-CD2 3.86Å; F119-L154 HydrophobicContact CD1-CG 4.44Å; F119-L154 HydrophobicContact CG-CD1 4.4Å; F119-L154 HydrophobicContact CG-CD2 4.39Å; F119-S158 WeakPolarHBondContact CE1-OG 3.36Å; F119-I164 HydrophobicContact CD1-CD1 4.41Å; F119-I164 HydrophobicContact CD2-CD1 4.44Å; F119-I164 HydrophobicContact CE1-CD1 3.96Å; F119-I164 HydrophobicContact CE2-CD1 4Å; F119-I164 HydrophobicContact CZ-CD1 3.73Å |
| 120 | P | 91.2 | Very high | 93.6 | Very high | 47 Ų | 47 | 49.8 Ų | 49.8 | 31% | 0.305 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -61.9 | -17.9 | 178.1 | -22.6 | 34.8 | 0 | 0 | 0 | 114.3 | R116 L118 L154 | R116-P120 VanDerWaalsContact O-CD 3.32Å; R116-P120 WeakPolarHBondContact O-CD 3.35Å; L118-P120 VanDerWaalsContact C-CD 3.48Å; P120-L154 HydrophobicContact CG-CD2 4.05Å |
| 121 | K | 90.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 51 Ų | 51 | 33% | 0.326 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -96.6 | -5.3 | -177 | -53.2 | -170.9 | 179.2 | -142.2 | 0 | 113.3 | P76 E79 V83 L118 F119 | P76-K121 PolarHBondContact O-NZ 3.44Å; E79-K121 HydrophobicContact CB-CD 4.4Å; E79-K121 WeakPolarHBondContact OE2-CE 3.36Å; E79-K121 IonicContact OE2-NZ 3.92Å; E79-K121 PolarHBondContact OE2-NZ 3.44Å; V83-K121 HydrophobicContact CG1-CB 4.43Å; V83-K121 HydrophobicContact CG2-CB 3.69Å; V83-K121 HydrophobicContact CG2-CD 3.95Å; V83-K121 HydrophobicContact CG2-CG 4.47Å; L118-K121 WeakPolarHBondContact O-CB 3.48Å; L118-K121 PolarHBondContact O-N 2.99Å; F119-K121 PolarHBondContact O-N 2.98Å |
| 122 | I | 91.2 | Very high | 93.8 | Very high | 26 Ų | 26 | 51 Ų | 51 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -85.4 | 133.6 | -176.3 | -61.8 | -73.6 | 0 | 0 | 0 | 109.3 | V83 F86 L118 F119 L128 F129 | V83-I122 HydrophobicContact CB-CD1 4.49Å; V83-I122 HydrophobicContact CG1-CD1 3.36Å; V83-I122 HydrophobicContact CG1-CG1 4.3Å; V83-I122 WeakPolarHBondContact O-CD1 3.15Å; F86-I122 HydrophobicContact CB-CD1 3.35Å; F86-I122 HydrophobicContact CB-CG1 4.01Å; F86-I122 HydrophobicContact CD1-CB 4.47Å; F86-I122 HydrophobicContact CD1-CD1 3.71Å; F86-I122 HydrophobicContact CD1-CG1 3.6Å; F86-I122 HydrophobicContact CD1-CG2 4.28Å; F86-I122 HydrophobicContact CD2-CG1 4.27Å; F86-I122 HydrophobicContact CE1-CG1 4.14Å; F86-I122 HydrophobicContact CG-CD1 3.61Å; F86-I122 HydrophobicContact CG-CG1 3.68Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; F119-I122 PolarHBondContact O-N 3.36Å; F119-I122 VanDerWaalsContact O-N 3.17Å; I122-L128 HydrophobicContact CG2-CD2 4.36Å; I122-F129 HydrophobicContact CB-CE2 4.38Å; I122-F129 HydrophobicContact CB-CZ 4.34Å; I122-F129 HydrophobicContact CG2-CE2 3.74Å; I122-F129 HydrophobicContact CG2-CZ 4.15Å |
| 123 | T | 89.9 | Confident | 93.7 | Very high | 127 Ų | 127 | 51 Ų | 51 | 78% | 0.779 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -65.6 | 136 | 170.5 | -58.7 | 0 | 0 | 0 | 0 | 109.1 | D125 | T123-D125 PolarHBondContact O-N 2.96Š|
| 124 | Y | 89.6 | Confident | 93.8 | Very high | 92 Ų | 92 | 51.8 Ų | 51.8 | 36% | 0.361 | 26% | 0.256 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 125.7 | -177.7 | -179.1 | -106.4 | 0 | 0 | 0 | 112.5 | E126 F129 Y160 L163 | Y124-E126 HydrophobicContact CE1-CB 4.25Å; Y124-F129 AromaticContact CD2-CD1 3.8Å; Y124-F129 HydrophobicContact CD2-CD1 3.8Å; Y124-F129 AromaticContact CD2-CE1 3.95Å; Y124-F129 HydrophobicContact CD2-CE1 3.95Å; Y124-F129 HydrophobicContact CD2-CG 4.14Å; Y124-F129 HydrophobicContact CD2-CZ 4.41Å; Y124-F129 HydrophobicContact CE2-CB 4.44Å; Y124-F129 HydrophobicContact CE2-CD1 4.09Å; Y124-F129 HydrophobicContact CE2-CG 4.28Å; Y124-Y160 AromaticContact CD2-CD1 3.52Å; Y124-Y160 HydrophobicContact CD2-CD1 3.52Å; Y124-Y160 AromaticContact CD2-CD2 3.98Å; Y124-Y160 HydrophobicContact CD2-CD2 3.98Å; Y124-Y160 AromaticContact CD2-CE1 3.49Å; Y124-Y160 HydrophobicContact CD2-CE1 3.49Å; Y124-Y160 VanDerWaalsContact CD2-CE1 3.49Å; Y124-Y160 AromaticContact CD2-CE2 3.98Å; Y124-Y160 HydrophobicContact CD2-CE2 3.98Å; Y124-Y160 AromaticContact CD2-CG 3.76Å; Y124-Y160 HydrophobicContact CD2-CG 3.76Å; Y124-Y160 AromaticContact CD2-CZ 3.73Å; Y124-Y160 AromaticContact CE2-CD1 3.78Å; Y124-Y160 HydrophobicContact CE2-CD1 3.78Å; Y124-Y160 AromaticContact CE2-CE1 3.94Å; Y124-Y160 HydrophobicContact CE2-CE1 3.94Å; Y124-Y160 HydrophobicContact CE2-CG 4.29Å; Y124-Y160 HydrophobicContact CG-CD1 4.33Å; Y124-Y160 AromaticContact CG-CE1 3.84Å; Y124-Y160 HydrophobicContact CG-CE1 3.84Å; Y124-Y160 HydrophobicContact CG-CE2 4.11Å; Y124-Y160 AromaticContact CG-CZ 3.73Å; Y124-L163 HydrophobicContact CE2-CD1 4.1Å |
| 125 | D | 92.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 51.9 Ų | 51.9 | 42% | 0.422 | 26% | 0.257 | S | S | . | . | trans | -136.7 | 113.2 | 172.9 | 176.4 | -33.1 | 0 | 0 | 0 | 106.8 | T123 E127 L128 F129 | T123-D125 PolarHBondContact O-N 2.96Å; D125-E127 VanDerWaalsContact C-N 3.31Å; D125-E127 PolarHBondContact O-N 3.14Å; D125-E127 PolarHBondContact OD1-N 3.28Å; D125-L128 HydrophobicContact CB-CB 3.93Å; D125-L128 PolarHBondContact O-N 3.44Å; D125-L128 PolarHBondContact OD1-N 3.34Å; D125-L128 VanDerWaalsContact OD1-N 3.1Å; D125-F129 WeakPolarHBondContact O-CB 3.07Å; D125-F129 WeakPolarHBondContact O-CD2 3.49Å; D125-F129 WeakPolarHBondContact O-CG 3.24Å; D125-F129 PolarHBondContact O-N 2.98Å | ||
| 126 | E | 92.1 | Very high | 93.8 | Very high | 136 Ų | 136 | 51.9 Ų | 51.9 | 64% | 0.636 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59.3 | -39.7 | -173.4 | -174.6 | 177.1 | -176.9 | 0 | 0 | 112.7 | Y124 T130 | Y124-E126 HydrophobicContact CE1-CB 4.25Å; E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.5Å; E126-T130 PolarHBondContact O-N 2.85Å; E126-T130 PolarHBondContact O-OG1 3.22Å |
| 127 | E | 95 | Very high | 93.9 | Very high | 145 Ų | 145 | 50.5 Ų | 50.5 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -68.7 | -48.2 | -179.7 | -175.1 | -179 | 165.3 | 0 | 0 | 110.2 | D125 F129 T130 R131 | D125-E127 VanDerWaalsContact C-N 3.31Å; D125-E127 PolarHBondContact O-N 3.14Å; D125-E127 PolarHBondContact OD1-N 3.28Å; E127-F129 PolarHBondContact O-N 3.27Å; E127-T130 PolarHBondContact O-N 3.22Å; E127-R131 WeakPolarHBondContact O-CG 3.21Å; E127-R131 PolarHBondContact O-N 2.97Å; E127-R131 VanDerWaalsContact O-N 3.08Å |
| 128 | L | 95.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 8% | 0.079 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 179.3 | -176.2 | 59.7 | 0 | 0 | 0 | 111.9 | F86 P87 V90 I122 D125 R131 V132 | F86-L128 HydrophobicContact CD1-CD2 3.97Å; F86-L128 HydrophobicContact CE1-CD2 4.18Å; F86-L128 HydrophobicContact CE1-CG 4.29Å; P87-L128 HydrophobicContact CG-CD2 4.32Å; V90-L128 HydrophobicContact CB-CD1 4.26Å; V90-L128 HydrophobicContact CG1-CD1 4.29Å; V90-L128 HydrophobicContact CG2-CD1 4.14Å; I122-L128 HydrophobicContact CG2-CD2 4.36Å; D125-L128 HydrophobicContact CB-CB 3.93Å; D125-L128 PolarHBondContact O-N 3.44Å; D125-L128 PolarHBondContact OD1-N 3.34Å; D125-L128 VanDerWaalsContact OD1-N 3.1Å; L128-R131 WeakPolarHBondContact O-CB 3.36Å; L128-R131 PolarHBondContact O-N 3.45Å; L128-V132 WeakPolarHBondContact O-CG2 3.42Å; L128-V132 PolarHBondContact O-N 3.35Å |
| 129 | F | 94.6 | Very high | 93.8 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -72.4 | -34.3 | -177.9 | -79.3 | -131.9 | 0 | 0 | 0 | 111.1 | F119 I122 Y124 D125 E127 V132 G133 Y160 L163 | F119-F129 HydrophobicContact CD2-CE1 4.49Å; F119-F129 HydrophobicContact CE1-CE1 4.19Å; F119-F129 AromaticContact CE2-CD1 3.62Å; F119-F129 HydrophobicContact CE2-CD1 3.62Å; F119-F129 HydrophobicContact CE2-CD2 4.35Å; F119-F129 AromaticContact CE2-CE1 3.59Å; F119-F129 HydrophobicContact CE2-CE1 3.59Å; F119-F129 HydrophobicContact CE2-CE2 4.34Å; F119-F129 HydrophobicContact CE2-CG 4.02Å; F119-F129 AromaticContact CE2-CZ 3.97Å; F119-F129 HydrophobicContact CE2-CZ 3.97Å; F119-F129 AromaticContact CZ-CD1 3.47Å; F119-F129 HydrophobicContact CZ-CD1 3.47Å; F119-F129 VanDerWaalsContact CZ-CD1 3.47Å; F119-F129 AromaticContact CZ-CE1 3.42Å; F119-F129 HydrophobicContact CZ-CE1 3.42Å; F119-F129 VanDerWaalsContact CZ-CE1 3.42Å; F119-F129 HydrophobicContact CZ-CG 4.29Å; F119-F129 HydrophobicContact CZ-CZ 4.21Å; I122-F129 HydrophobicContact CB-CE2 4.38Å; I122-F129 HydrophobicContact CB-CZ 4.34Å; I122-F129 HydrophobicContact CG2-CE2 3.74Å; I122-F129 HydrophobicContact CG2-CZ 4.15Å; Y124-F129 AromaticContact CD2-CD1 3.8Å; Y124-F129 HydrophobicContact CD2-CD1 3.8Å; Y124-F129 AromaticContact CD2-CE1 3.95Å; Y124-F129 HydrophobicContact CD2-CE1 3.95Å; Y124-F129 HydrophobicContact CD2-CG 4.14Å; Y124-F129 HydrophobicContact CD2-CZ 4.41Å; Y124-F129 HydrophobicContact CE2-CB 4.44Å; Y124-F129 HydrophobicContact CE2-CD1 4.09Å; Y124-F129 HydrophobicContact CE2-CG 4.28Å; D125-F129 WeakPolarHBondContact O-CB 3.07Å; D125-F129 WeakPolarHBondContact O-CD2 3.49Å; D125-F129 WeakPolarHBondContact O-CG 3.24Å; D125-F129 PolarHBondContact O-N 2.98Å; E127-F129 PolarHBondContact O-N 3.27Å; F129-V132 PolarHBondContact O-N 2.92Å; F129-G133 PolarHBondContact O-N 3.42Å; F129-Y160 HydrophobicContact CD1-CD2 4.47Å; F129-Y160 HydrophobicContact CD1-CG 4.15Å; F129-Y160 AromaticContact CE1-CD2 3.69Å; F129-Y160 HydrophobicContact CE1-CD2 3.69Å; F129-Y160 AromaticContact CE1-CG 3.8Å; F129-Y160 HydrophobicContact CE1-CG 3.8Å; F129-Y160 HydrophobicContact CZ-CD2 4.42Å; F129-L163 HydrophobicContact CB-CD1 4.11Å; F129-L163 HydrophobicContact CD1-CD1 4.22Å |
| 130 | T | 94.5 | Very high | 93.8 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 42% | 0.417 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 171.5 | -61.4 | 0 | 0 | 0 | 0 | 111 | E126 E127 V132 G133 D134 | E126-T130 VanDerWaalsContact O-CB 3.29Å; E126-T130 WeakPolarHBondContact O-CB 3.5Å; E126-T130 PolarHBondContact O-N 2.85Å; E126-T130 PolarHBondContact O-OG1 3.22Å; E127-T130 PolarHBondContact O-N 3.22Å; T130-V132 PolarHBondContact O-N 2.86Å; T130-G133 PolarHBondContact O-N 3.34Å; T130-G133 VanDerWaalsContact O-N 3.11Å; T130-D134 PolarHBondContact O-N 2.91Å |
| 131 | R | 95.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 58 Ų | 58 | 29% | 0.287 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 175.6 | -73 | 170.4 | 62.3 | -160.3 | -0.3 | 112.4 | V90 E94 E127 L128 G133 D134 L135 | V90-R131 HydrophobicContact CG1-CB 4.24Å; E94-R131 IonicContact OE1-CZ 3.39Å; E94-R131 IonicContact OE1-NE 2.72Å; E94-R131 PolarHBondContact OE1-NE 3.14Å; E94-R131 IonicContact OE1-NH2 2.74Å; E94-R131 PolarHBondContact OE1-NH2 3.4Å; E94-R131 IonicContact OE2-CZ 3.31Å; E94-R131 IonicContact OE2-NE 3.31Å; E94-R131 IonicContact OE2-NH2 2.71Å; E94-R131 PolarHBondContact OE2-NH2 3.09Å; E127-R131 WeakPolarHBondContact O-CG 3.21Å; E127-R131 PolarHBondContact O-N 2.97Å; E127-R131 VanDerWaalsContact O-N 3.08Å; L128-R131 WeakPolarHBondContact O-CB 3.36Å; L128-R131 PolarHBondContact O-N 3.45Å; R131-G133 VanDerWaalsContact C-N 3.32Å; R131-G133 PolarHBondContact O-N 2.59Å; R131-D134 PolarHBondContact O-N 3.21Å; R131-L135 VanDerWaalsContact O-CB 3.3Å; R131-L135 WeakPolarHBondContact O-CB 3.29Å; R131-L135 PolarHBondContact O-N 3.48Å |
| 132 | V | 96.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -60 | -43.7 | 174.5 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | F86 V90 V115 F119 L128 F129 T130 D134 L135 F136 I164 | F86-V132 HydrophobicContact CE1-CG2 3.9Å; F86-V132 HydrophobicContact CZ-CG2 3.76Å; V90-V132 HydrophobicContact CG1-CG2 4.45Å; V90-V132 HydrophobicContact CG2-CG2 3.67Å; V115-V132 HydrophobicContact CG1-CG1 4.49Å; F119-V132 HydrophobicContact CD2-CG1 4.28Å; F119-V132 HydrophobicContact CE2-CB 4.44Å; F119-V132 HydrophobicContact CE2-CG1 4.16Å; F119-V132 HydrophobicContact CE2-CG2 4.49Å; L128-V132 WeakPolarHBondContact O-CG2 3.42Å; L128-V132 PolarHBondContact O-N 3.35Å; F129-V132 PolarHBondContact O-N 2.92Å; T130-V132 PolarHBondContact O-N 2.86Å; V132-D134 PolarHBondContact O-N 3.17Å; V132-L135 WeakPolarHBondContact O-CB 3.49Å; V132-L135 PolarHBondContact O-N 3.35Å; V132-F136 HydrophobicContact CG1-CD2 4.04Å; V132-F136 HydrophobicContact CG1-CE2 3.89Å; V132-F136 VanDerWaalsContact O-CD2 3.28Å; V132-F136 WeakPolarHBondContact O-CD2 3.41Å; V132-F136 PolarHBondContact O-N 3.19Å; V132-F136 VanDerWaalsContact O-N 3.07Å; V132-I164 HydrophobicContact CG1-CD1 3.58Å; V132-I164 HydrophobicContact CG1-CG1 4.09Å |
| 133 | G | 95.3 | Very high | 93.6 | Very high | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F129 T130 R131 L135 F136 V137 K167 | F129-G133 PolarHBondContact O-N 3.42Å; T130-G133 PolarHBondContact O-N 3.34Å; T130-G133 VanDerWaalsContact O-N 3.11Å; R131-G133 VanDerWaalsContact C-N 3.32Å; R131-G133 PolarHBondContact O-N 2.59Å; G133-L135 VanDerWaalsContact C-N 3.33Å; G133-F136 PolarHBondContact O-N 3.36Å; G133-V137 PolarHBondContact O-N 2.85Å; G133-K167 WeakPolarHBondContact O-CD 3.31Å |
| 134 | D | 95.8 | Very high | 93.7 | Very high | 79 Ų | 79 | 57.5 Ų | 57.5 | 42% | 0.422 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 176.8 | -69.3 | -27.4 | 0 | 0 | 0 | 112.3 | T130 R131 V132 F136 V137 K138 K167 | T130-D134 PolarHBondContact O-N 2.91Å; R131-D134 PolarHBondContact O-N 3.21Å; V132-D134 PolarHBondContact O-N 3.17Å; D134-F136 VanDerWaalsContact C-N 3.34Å; D134-F136 PolarHBondContact O-N 3.36Å; D134-V137 WeakPolarHBondContact O-CB 3.38Å; D134-V137 PolarHBondContact O-N 3.33Å; D134-K138 PolarHBondContact O-N 3.45Å; D134-K167 IonicContact OD1-NZ 3.81Å; D134-K167 PolarHBondContact OD1-NZ 3.07Å |
| 135 | L | 95.6 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 175.6 | 176.9 | 66.9 | 0 | 0 | 0 | 111.6 | M93 E94 R131 V132 G133 V137 K138 L139 | M93-L135 HydrophobicContact CB-CD1 3.68Å; M93-L135 HydrophobicContact CB-CD2 3.51Å; M93-L135 HydrophobicContact CB-CG 4.17Å; M93-L135 HydrophobicContact CE-CD2 3.79Å; M93-L135 HydrophobicContact CE-CG 4.41Å; M93-L135 HydrophobicContact CG-CD2 4.24Å; M93-L135 HydrophobicContact SD-CD2 3.76Å; E94-L135 HydrophobicContact CG-CD1 4.45Å; R131-L135 VanDerWaalsContact O-CB 3.3Å; R131-L135 WeakPolarHBondContact O-CB 3.29Å; R131-L135 PolarHBondContact O-N 3.48Å; V132-L135 WeakPolarHBondContact O-CB 3.49Å; V132-L135 PolarHBondContact O-N 3.35Å; G133-L135 VanDerWaalsContact C-N 3.33Å; L135-V137 VanDerWaalsContact C-N 3.29Å; L135-V137 PolarHBondContact O-N 3.26Å; L135-K138 PolarHBondContact O-N 3.31Å; L135-L139 HydrophobicContact CD1-CD1 4.07Å; L135-L139 HydrophobicContact CD1-CG 4.21Å; L135-L139 HydrophobicContact CD2-CD1 4.39Å; L135-L139 HydrophobicContact CG-CD1 3.79Å; L135-L139 HydrophobicContact CG-CG 4.35Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 2.97Å |
| 136 | F | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 176.4 | -91.8 | -112.8 | 0 | 0 | 0 | 112.3 | L112 V115 V132 G133 D134 L139 Y140 V147 V150 A151 L154 I164 I168 | L112-F136 HydrophobicContact CD2-CE1 4.1Å; L112-F136 HydrophobicContact CD2-CE2 4.34Å; L112-F136 HydrophobicContact CD2-CZ 3.91Å; V115-F136 HydrophobicContact CG1-CE2 3.92Å; V115-F136 HydrophobicContact CG1-CZ 4.16Å; V132-F136 HydrophobicContact CG1-CD2 4.04Å; V132-F136 HydrophobicContact CG1-CE2 3.89Å; V132-F136 VanDerWaalsContact O-CD2 3.28Å; V132-F136 WeakPolarHBondContact O-CD2 3.41Å; V132-F136 PolarHBondContact O-N 3.19Å; V132-F136 VanDerWaalsContact O-N 3.07Å; G133-F136 PolarHBondContact O-N 3.36Å; D134-F136 VanDerWaalsContact C-N 3.34Å; D134-F136 PolarHBondContact O-N 3.36Å; F136-L139 PolarHBondContact O-N 2.99Å; F136-Y140 PolarHBondContact O-N 3.03Å; F136-V147 HydrophobicContact CD1-CG1 3.83Å; F136-V150 HydrophobicContact CE1-CB 4.15Å; F136-V150 HydrophobicContact CE1-CG1 3.85Å; F136-V150 HydrophobicContact CZ-CB 4.46Å; F136-V150 HydrophobicContact CZ-CG1 3.7Å; F136-A151 HydrophobicContact CD1-CB 4.35Å; F136-A151 HydrophobicContact CE1-CB 4.36Å; F136-L154 HydrophobicContact CZ-CD1 4.01Å; F136-I164 HydrophobicContact CB-CG2 3.95Å; F136-I164 HydrophobicContact CD1-CG2 3.31Å; F136-I164 HydrophobicContact CD2-CG2 3.97Å; F136-I164 HydrophobicContact CE1-CG2 3.69Å; F136-I164 HydrophobicContact CE2-CD1 4.27Å; F136-I164 HydrophobicContact CE2-CG2 4.27Å; F136-I164 HydrophobicContact CG-CG2 3.46Å; F136-I164 VanDerWaalsContact CG-CG2 3.46Å; F136-I164 HydrophobicContact CZ-CD1 4.49Å; F136-I164 HydrophobicContact CZ-CG2 4.15Å; F136-I168 HydrophobicContact CB-CD1 4Å; F136-I168 HydrophobicContact CB-CG1 4.3Å; F136-I168 HydrophobicContact CD1-CG1 4.36Å |
| 137 | V | 96.2 | Very high | 94.2 | Very high | 50 Ų | 50 | 51.6 Ų | 51.6 | 30% | 0.303 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | G133 D134 L135 Y140 K167 L171 | G133-V137 PolarHBondContact O-N 2.85Å; D134-V137 WeakPolarHBondContact O-CB 3.38Å; D134-V137 PolarHBondContact O-N 3.33Å; L135-V137 VanDerWaalsContact C-N 3.29Å; L135-V137 PolarHBondContact O-N 3.26Å; V137-Y140 WeakPolarHBondContact O-CB 3.42Å; V137-Y140 PolarHBondContact O-N 3.04Å; V137-K167 HydrophobicContact CG2-CB 3.79Å; V137-K167 HydrophobicContact CG2-CD 4.02Å; V137-K167 HydrophobicContact CG2-CG 4.43Å; V137-L171 HydrophobicContact CB-CD1 4.34Å; V137-L171 HydrophobicContact CG1-CD1 4.13Å; V137-L171 HydrophobicContact CG2-CD1 4.16Å |
| 138 | K | 93.9 | Very high | 94.3 | Very high | 85 Ų | 85 | 44.9 Ų | 44.9 | 37% | 0.37 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 176.1 | -68.2 | -175.4 | 178.5 | -171.1 | 0 | 111.7 | C97 D98 D134 L135 Y140 H142 | C97-K138 HydrophobicContact CB-CB 4.11Å; C97-K138 HydrophobicContact CB-CD 3.91Å; D98-K138 IonicContact OD1-NZ 2.59Å; D98-K138 PolarHBondContact OD1-NZ 3.47Å; D98-K138 IonicContact OD2-NZ 2.75Å; D98-K138 PolarHBondContact OD2-NZ 3.04Å; D134-K138 PolarHBondContact O-N 3.45Å; L135-K138 PolarHBondContact O-N 3.31Å; K138-Y140 VanDerWaalsContact C-N 3.27Å; K138-Y140 PolarHBondContact O-N 2.85Å; K138-H142 PolarHBondContact O-CD2 2.76Å |
| 139 | L | 93.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.3 | -25.5 | -178.6 | -71.6 | 171.1 | 0 | 0 | 0 | 113.8 | M93 C97 Y108 L112 L135 F136 Q141 H142 C143 V147 | M93-L139 HydrophobicContact CE-CD1 3.37Å; C97-L139 VanDerWaalsContact SG-CD2 3.52Å; Y108-L139 HydrophobicContact CD1-CD2 3.36Å; Y108-L139 HydrophobicContact CE1-CD2 3.67Å; Y108-L139 HydrophobicContact CG-CD2 4.37Å; L112-L139 HydrophobicContact CD2-CD1 3.97Å; L112-L139 HydrophobicContact CG-CD1 4.47Å; L135-L139 HydrophobicContact CD1-CD1 4.07Å; L135-L139 HydrophobicContact CD1-CG 4.21Å; L135-L139 HydrophobicContact CD2-CD1 4.39Å; L135-L139 HydrophobicContact CG-CD1 3.79Å; L135-L139 HydrophobicContact CG-CG 4.35Å; L135-L139 WeakPolarHBondContact O-CB 3.45Å; L135-L139 VanDerWaalsContact O-CG 3.28Å; L135-L139 WeakPolarHBondContact O-CG 3.4Å; L135-L139 PolarHBondContact O-N 2.97Å; F136-L139 PolarHBondContact O-N 2.99Å; L139-Q141 PolarHBondContact O-N 2.97Å; L139-H142 PolarHBondContact O-N 3.33Å; L139-C143 PolarHBondContact O-N 2.92Å; L139-C143 VanDerWaalsContact O-N 3.11Å; L139-V147 HydrophobicContact CB-CG2 3.87Å |
| 140 | Y | 94.5 | Very high | 94.5 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -52.4 | -42.9 | -177.8 | -175.8 | -107 | 0 | 0 | 0 | 111.8 | F136 V137 K138 H142 R144 V147 V148 I168 L171 V172 E175 N178 | F136-Y140 PolarHBondContact O-N 3.03Å; V137-Y140 WeakPolarHBondContact O-CB 3.42Å; V137-Y140 PolarHBondContact O-N 3.04Å; K138-Y140 VanDerWaalsContact C-N 3.27Å; K138-Y140 PolarHBondContact O-N 2.85Å; Y140-H142 PolarHBondContact O-N 3.41Å; Y140-R144 HydrophobicContact CD1-CG 4.37Å; Y140-R144 HydrophobicContact CD2-CB 4.47Å; Y140-R144 HydrophobicContact CD2-CG 4.41Å; Y140-R144 HydrophobicContact CE1-CG 4.15Å; Y140-R144 HydrophobicContact CE2-CB 4.14Å; Y140-R144 HydrophobicContact CE2-CG 4.19Å; Y140-R144 HydrophobicContact CG-CG 4.5Å; Y140-R144 VanDerWaalsContact O-CA 3.29Å; Y140-R144 WeakPolarHBondContact O-CA 3.22Å; Y140-R144 WeakPolarHBondContact O-CG 3.46Å; Y140-R144 PolarHBondContact O-N 3.26Å; Y140-V147 HydrophobicContact CD2-CB 4.35Å; Y140-V147 HydrophobicContact CD2-CG1 4.06Å; Y140-V148 HydrophobicContact CE2-CG2 3.97Å; Y140-I168 HydrophobicContact CD2-CD1 4.36Å; Y140-L171 HydrophobicContact CD1-CB 4.33Å; Y140-L171 HydrophobicContact CD1-CD1 3.88Å; Y140-L171 HydrophobicContact CE1-CB 4.15Å; Y140-L171 HydrophobicContact CG-CD1 3.92Å; Y140-V172 HydrophobicContact CE2-CG2 4.05Å; Y140-V172 WeakPolarHBondContact OH-CG2 3.5Å; Y140-E175 PolarHBondContact OH-OE2 2.89Å; Y140-N178 PolarHBondContact OH-ND2 2.65Å |
| 141 | Q | 88.9 | Confident | 94.5 | Very high | 154 Ų | 154 | 43.6 Ų | 43.6 | 72% | 0.72 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.6 | -23 | -179.7 | -62.8 | -174.6 | -5.9 | 0 | 0 | 113.8 | L139 | L139-Q141 PolarHBondContact O-N 2.97Å |
| 142 | H | 88.5 | Confident | 94.5 | Very high | 92 Ų | 92 | 40 Ų | 40 | 43% | 0.426 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -93.3 | -32.2 | -177.2 | -59.5 | -70.4 | 0 | 0 | 0 | 113.2 | Y108 K138 L139 Y140 | Y108-H142 HydrophobicContact CD2-CB 4.41Å; Y108-H142 HydrophobicContact CE2-CB 4.21Å; K138-H142 PolarHBondContact O-CD2 2.76Å; L139-H142 PolarHBondContact O-N 3.33Å; Y140-H142 PolarHBondContact O-N 3.41Å |
| 143 | C | 90.6 | Very high | 94.4 | Very high | 10 Ų | 10 | 40.4 Ų | 40.4 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -151.5 | 54.9 | -175.5 | 56 | 0 | 0 | 0 | 0 | 113.1 | L139 E145 K146 V147 | L139-C143 PolarHBondContact O-N 2.92Å; L139-C143 VanDerWaalsContact O-N 3.11Å; C143-E145 PolarHBondContact O-N 3.29Å; C143-K146 PolarHBondContact O-N 2.92Å; C143-V147 PolarHBondContact O-N 3.48Å |
| 144 | R | 93 | Very high | 94.3 | Very high | 116 Ų | 116 | 40.4 Ų | 40.4 | 44% | 0.438 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -36.9 | -60.2 | -176.1 | -66.3 | -175.2 | -174.7 | 117.1 | 1.7 | 114.2 | Y140 K146 V147 V148 E175 | Y140-R144 HydrophobicContact CD1-CG 4.37Å; Y140-R144 HydrophobicContact CD2-CB 4.47Å; Y140-R144 HydrophobicContact CD2-CG 4.41Å; Y140-R144 HydrophobicContact CE1-CG 4.15Å; Y140-R144 HydrophobicContact CE2-CB 4.14Å; Y140-R144 HydrophobicContact CE2-CG 4.19Å; Y140-R144 HydrophobicContact CG-CG 4.5Å; Y140-R144 VanDerWaalsContact O-CA 3.29Å; Y140-R144 WeakPolarHBondContact O-CA 3.22Å; Y140-R144 WeakPolarHBondContact O-CG 3.46Å; Y140-R144 PolarHBondContact O-N 3.26Å; R144-K146 VanDerWaalsContact C-N 3.3Å; R144-K146 PolarHBondContact O-N 3.47Å; R144-V147 PolarHBondContact O-N 3.33Å; R144-V148 WeakPolarHBondContact O-CG2 3.47Å; R144-V148 PolarHBondContact O-N 3.06Å; R144-E175 IonicContact NE-OE2 3.61Å |
| 145 | E | 93.8 | Very high | 94.2 | Very high | 131 Ų | 131 | 36.7 Ų | 36.7 | 61% | 0.612 | 17% | 0.169 | S | C | * | . | H | α-helix | trans | -58.3 | -41.8 | -174.3 | -69.2 | 176.8 | -172.2 | 0 | 0 | 112.4 | C143 E149 H181 | C143-E145 PolarHBondContact O-N 3.29Å; E145-E149 PolarHBondContact O-N 3.01Å; E145-H181 VanDerWaalsContact CA-NE2 3.27Å; E145-H181 WeakPolarHBondContact CA-NE2 3.25Å; E145-H181 PolarHBondContact O-NE2 3.35Å |
| 146 | K | 94.7 | Very high | 93.9 | Very high | 53 Ų | 53 | 36.8 Ų | 36.8 | 23% | 0.23 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -74.9 | -35.9 | -178.8 | -168.2 | 58.3 | 166.1 | 178.1 | 0 | 112.4 | L109 L112 C143 R144 V148 E149 V150 | L109-K146 HydrophobicContact CD2-CB 3.78Å; L109-K146 HydrophobicContact CD2-CD 4.4Å; L109-K146 HydrophobicContact CD2-CG 3.62Å; L112-K146 HydrophobicContact CD1-CB 4.12Å; L112-K146 HydrophobicContact CD1-CG 3.8Å; C143-K146 PolarHBondContact O-N 2.92Å; R144-K146 VanDerWaalsContact C-N 3.3Å; R144-K146 PolarHBondContact O-N 3.47Å; K146-V148 VanDerWaalsContact C-N 3.33Å; K146-E149 HydrophobicContact CD-CB 4.35Å; K146-E149 VanDerWaalsContact CD-OE2 3.25Å; K146-E149 WeakPolarHBondContact CD-OE2 3.26Å; K146-E149 IonicContact NZ-OE1 3.36Å; K146-E149 PolarHBondContact NZ-OE1 3.27Å; K146-E149 IonicContact NZ-OE2 2.74Å; K146-E149 PolarHBondContact NZ-OE2 3.44Å; K146-E149 PolarHBondContact O-N 3.3Å; K146-V150 HydrophobicContact CD-CG2 4.43Å; K146-V150 HydrophobicContact CG-CG2 4.49Å; K146-V150 WeakPolarHBondContact O-CG2 3.39Å; K146-V150 PolarHBondContact O-N 3.49Å |
| 147 | V | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.6 | -45 | 174.5 | 171.3 | 0 | 0 | 0 | 0 | 110.2 | L112 F136 L139 Y140 C143 R144 V150 A151 I168 | L112-V147 HydrophobicContact CD1-CG2 3.88Å; F136-V147 HydrophobicContact CD1-CG1 3.83Å; L139-V147 HydrophobicContact CB-CG2 3.87Å; Y140-V147 HydrophobicContact CD2-CB 4.35Å; Y140-V147 HydrophobicContact CD2-CG1 4.06Å; C143-V147 PolarHBondContact O-N 3.48Å; R144-V147 PolarHBondContact O-N 3.33Å; V147-V150 PolarHBondContact O-N 3.05Å; V147-A151 VanDerWaalsContact O-CB 3.3Å; V147-A151 WeakPolarHBondContact O-CB 3.5Å; V147-A151 PolarHBondContact O-N 2.89Å; V147-I168 HydrophobicContact CG1-CD1 3.53Å; V147-I168 HydrophobicContact CG1-CG1 4.06Å |
| 148 | V | 96.9 | Very high | 93.2 | Very high | 3 Ų | 3 | 36.9 Ų | 36.9 | 2% | 0.018 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.7 | -49.8 | 174.1 | 170.9 | 0 | 0 | 0 | 0 | 111 | Y140 R144 K146 V150 A151 V152 I168 V172 L182 T185 | Y140-V148 HydrophobicContact CE2-CG2 3.97Å; R144-V148 WeakPolarHBondContact O-CG2 3.47Å; R144-V148 PolarHBondContact O-N 3.06Å; K146-V148 VanDerWaalsContact C-N 3.33Å; V148-V150 VanDerWaalsContact C-N 3.34Å; V148-V150 PolarHBondContact O-N 3.13Å; V148-A151 PolarHBondContact O-N 3.17Å; V148-V152 HydrophobicContact CG1-CG2 4.42Å; V148-V152 WeakPolarHBondContact O-CG2 3.49Å; V148-V152 PolarHBondContact O-N 3.38Å; V148-I168 HydrophobicContact CG2-CG2 4Å; V148-V172 HydrophobicContact CG2-CG2 3.99Å; V148-L182 HydrophobicContact CG1-CB 4.18Å; V148-L182 HydrophobicContact CG1-CD1 3.61Å; V148-T185 HydrophobicContact CG1-CG2 4.4Å |
| 149 | E | 96.1 | Very high | 92.9 | Very high | 59 Ų | 59 | 35.8 Ų | 35.8 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -53.7 | -49.2 | 177.8 | -168.8 | -157.6 | 129.7 | 0 | 0 | 112.3 | R116 E145 K146 V153 T185 | R116-E149 IonicContact NH1-OE1 2.65Å; R116-E149 PolarHBondContact NH1-OE1 3.31Å; E145-E149 PolarHBondContact O-N 3.01Å; K146-E149 HydrophobicContact CD-CB 4.35Å; K146-E149 VanDerWaalsContact CD-OE2 3.25Å; K146-E149 WeakPolarHBondContact CD-OE2 3.26Å; K146-E149 IonicContact NZ-OE1 3.36Å; K146-E149 PolarHBondContact NZ-OE1 3.27Å; K146-E149 IonicContact NZ-OE2 2.74Å; K146-E149 PolarHBondContact NZ-OE2 3.44Å; K146-E149 PolarHBondContact O-N 3.3Å; E149-V153 VanDerWaalsContact O-CG2 3.3Å; E149-V153 WeakPolarHBondContact O-CG2 3.26Å; E149-V153 PolarHBondContact O-N 3.21Å; E149-T185 HydrophobicContact CB-CG2 4.25Å; E149-T185 HydrophobicContact CG-CG2 4.34Å |
| 150 | V | 96.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.8 | -39.7 | -177.9 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | L112 R116 F136 K146 V147 V148 V152 V153 L154 | L112-V150 HydrophobicContact CB-CG2 4.18Å; R116-V150 HydrophobicContact CB-CG1 3.89Å; R116-V150 HydrophobicContact CG-CG1 4.42Å; F136-V150 HydrophobicContact CE1-CB 4.15Å; F136-V150 HydrophobicContact CE1-CG1 3.85Å; F136-V150 HydrophobicContact CZ-CB 4.46Å; F136-V150 HydrophobicContact CZ-CG1 3.7Å; K146-V150 HydrophobicContact CD-CG2 4.43Å; K146-V150 HydrophobicContact CG-CG2 4.49Å; K146-V150 WeakPolarHBondContact O-CG2 3.39Å; K146-V150 PolarHBondContact O-N 3.49Å; V147-V150 PolarHBondContact O-N 3.05Å; V148-V150 VanDerWaalsContact C-N 3.34Å; V148-V150 PolarHBondContact O-N 3.13Å; V150-V152 VanDerWaalsContact C-N 3.33Å; V150-V152 PolarHBondContact O-N 3.43Å; V150-V153 PolarHBondContact O-N 3.41Å; V150-L154 HydrophobicContact CG1-CD1 4.01Å; V150-L154 HydrophobicContact CG1-CG 4.22Å; V150-L154 WeakPolarHBondContact O-CB 3.06Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.28Å; V150-L154 PolarHBondContact O-N 3.44Å |
| 151 | A | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F136 V147 V148 L154 L155 I164 F165 I168 | F136-A151 HydrophobicContact CD1-CB 4.35Å; F136-A151 HydrophobicContact CE1-CB 4.36Å; V147-A151 VanDerWaalsContact O-CB 3.3Å; V147-A151 WeakPolarHBondContact O-CB 3.5Å; V147-A151 PolarHBondContact O-N 2.89Å; V148-A151 PolarHBondContact O-N 3.17Å; A151-L154 PolarHBondContact O-N 3.36Å; A151-L155 PolarHBondContact O-N 3.46Å; A151-I164 HydrophobicContact CB-CG2 4.04Å; A151-F165 HydrophobicContact CB-CD2 4.49Å; A151-I168 HydrophobicContact CB-CB 4.18Å; A151-I168 HydrophobicContact CB-CG1 3.99Å; A151-I168 HydrophobicContact CB-CG2 4.26Å |
| 152 | V | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 174.4 | 174 | 0 | 0 | 0 | 0 | 110.7 | V148 V150 L154 L155 F156 F165 L182 T185 F186 V189 | V148-V152 HydrophobicContact CG1-CG2 4.42Å; V148-V152 WeakPolarHBondContact O-CG2 3.49Å; V148-V152 PolarHBondContact O-N 3.38Å; V150-V152 VanDerWaalsContact C-N 3.33Å; V150-V152 PolarHBondContact O-N 3.43Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3.49Å; V152-L155 WeakPolarHBondContact O-CB 3.05Å; V152-L155 PolarHBondContact O-N 3.02Å; V152-L155 VanDerWaalsContact O-N 3.1Å; V152-F156 HydrophobicContact CG1-CD2 4.07Å; V152-F156 HydrophobicContact CG1-CE2 4.07Å; V152-F156 WeakPolarHBondContact O-CD2 3.31Å; V152-F156 PolarHBondContact O-N 3.02Å; V152-F165 HydrophobicContact CG2-CD2 4.39Å; V152-F165 HydrophobicContact CG2-CE2 3.8Å; V152-L182 HydrophobicContact CG2-CD1 3.93Å; V152-T185 HydrophobicContact CB-CG2 3.83Å; V152-T185 HydrophobicContact CG1-CG2 4.09Å; V152-T185 HydrophobicContact CG2-CG2 3.78Å; V152-F186 HydrophobicContact CG1-CB 4.43Å; V152-F186 HydrophobicContact CG1-CD2 4.24Å; V152-F186 HydrophobicContact CG2-CD2 4.44Å; V152-V189 HydrophobicContact CG1-CB 3.66Å; V152-V189 HydrophobicContact CG1-CG1 3.9Å; V152-V189 HydrophobicContact CG1-CG2 3.91Å |
| 153 | V | 94.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 6% | 0.055 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 178.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | R116 E149 V150 L155 F156 S157 V189 | R116-V153 HydrophobicContact CG-CG1 4.03Å; E149-V153 VanDerWaalsContact O-CG2 3.3Å; E149-V153 WeakPolarHBondContact O-CG2 3.26Å; E149-V153 PolarHBondContact O-N 3.21Å; V150-V153 PolarHBondContact O-N 3.41Å; V153-L155 VanDerWaalsContact C-N 3.34Å; V153-L155 PolarHBondContact O-N 3.41Å; V153-F156 PolarHBondContact O-N 3.47Å; V153-S157 WeakPolarHBondContact O-CB 3.44Å; V153-S157 PolarHBondContact O-N 3.27Å; V153-S157 PolarHBondContact O-OG 3.11Å; V153-V189 HydrophobicContact CG2-CG1 4Å; V153-V189 HydrophobicContact CG2-CG2 3.79Å |
| 154 | L | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66 | -35.8 | 178.1 | -70.5 | 179.9 | 0 | 0 | 0 | 112.4 | F119 P120 F136 V150 A151 V152 F156 S157 S158 I164 | F119-L154 HydrophobicContact CB-CD2 4.13Å; F119-L154 HydrophobicContact CD1-CD1 4.11Å; F119-L154 HydrophobicContact CD1-CD2 3.86Å; F119-L154 HydrophobicContact CD1-CG 4.44Å; F119-L154 HydrophobicContact CG-CD1 4.4Å; F119-L154 HydrophobicContact CG-CD2 4.39Å; P120-L154 HydrophobicContact CG-CD2 4.05Å; F136-L154 HydrophobicContact CZ-CD1 4.01Å; V150-L154 HydrophobicContact CG1-CD1 4.01Å; V150-L154 HydrophobicContact CG1-CG 4.22Å; V150-L154 WeakPolarHBondContact O-CB 3.06Å; V150-L154 VanDerWaalsContact O-CG 3.31Å; V150-L154 WeakPolarHBondContact O-CG 3.28Å; V150-L154 PolarHBondContact O-N 3.44Å; A151-L154 PolarHBondContact O-N 3.36Å; V152-L154 VanDerWaalsContact C-N 3.26Å; V152-L154 PolarHBondContact O-N 3.49Å; L154-F156 VanDerWaalsContact C-N 3.29Å; L154-F156 PolarHBondContact O-N 2.89Å; L154-S157 PolarHBondContact O-N 3.41Å; L154-S158 WeakPolarHBondContact O-CB 3.13Å; L154-S158 PolarHBondContact O-N 3.17Å; L154-I164 HydrophobicContact CD1-CD1 3.58Å |
| 155 | L | 92.2 | Very high | 93.1 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.4 | -42.9 | 173.5 | -177.6 | 70.6 | 0 | 0 | 0 | 112 | A151 V152 V153 F165 F186 F196 W204 M238 | A151-L155 PolarHBondContact O-N 3.46Å; V152-L155 WeakPolarHBondContact O-CB 3.05Å; V152-L155 PolarHBondContact O-N 3.02Å; V152-L155 VanDerWaalsContact O-N 3.1Å; V153-L155 VanDerWaalsContact C-N 3.34Å; V153-L155 PolarHBondContact O-N 3.41Å; L155-F165 HydrophobicContact CB-CB 4.25Å; L155-F165 HydrophobicContact CB-CD2 4.38Å; L155-F165 HydrophobicContact CB-CG 4.21Å; L155-F165 HydrophobicContact CD1-CB 4.05Å; L155-F165 HydrophobicContact CD1-CD1 3.97Å; L155-F165 HydrophobicContact CD1-CG 4.12Å; L155-F165 HydrophobicContact CD2-CD1 3.54Å; L155-F165 HydrophobicContact CD2-CD2 4.06Å; L155-F165 HydrophobicContact CD2-CE1 3.55Å; L155-F165 HydrophobicContact CD2-CE2 4.1Å; L155-F165 HydrophobicContact CD2-CG 3.79Å; L155-F165 HydrophobicContact CD2-CZ 3.84Å; L155-F165 HydrophobicContact CG-CD1 4.27Å; L155-F165 HydrophobicContact CG-CG 4.27Å; L155-F186 HydrophobicContact CD2-CE2 3.64Å; L155-F186 HydrophobicContact CD2-CZ 4.39Å; L155-F196 WeakPolarHBondContact O-CE1 3.34Å; L155-W204 HydrophobicContact CD1-CZ2 4.29Å; L155-W204 HydrophobicContact CD2-CH2 4.45Å; L155-M238 HydrophobicContact CD1-CE 4.06Å; L155-M238 HydrophobicContact CD2-CE 3.79Å; L155-M238 HydrophobicContact CG-CE 3.75Å |
| 156 | F | 90.6 | Very high | 93.1 | Very high | 4 Ų | 4 | 21.3 Ų | 21.3 | 2% | 0.018 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -82.4 | -19.9 | -179.1 | -76.7 | -83.8 | 0 | 0 | 0 | 114.1 | V152 V153 L154 F186 V189 N193 P195 M238 | V152-F156 HydrophobicContact CG1-CD2 4.07Å; V152-F156 HydrophobicContact CG1-CE2 4.07Å; V152-F156 WeakPolarHBondContact O-CD2 3.31Å; V152-F156 PolarHBondContact O-N 3.02Å; V153-F156 PolarHBondContact O-N 3.47Å; L154-F156 VanDerWaalsContact C-N 3.29Å; L154-F156 PolarHBondContact O-N 2.89Å; F156-F186 HydrophobicContact CE2-CD1 4.47Å; F156-F186 HydrophobicContact CE2-CD2 4.11Å; F156-F186 HydrophobicContact CE2-CE1 4.23Å; F156-F186 AromaticContact CE2-CE2 3.84Å; F156-F186 HydrophobicContact CE2-CE2 3.84Å; F156-F186 HydrophobicContact CE2-CG 4.41Å; F156-F186 AromaticContact CE2-CZ 3.9Å; F156-F186 HydrophobicContact CE2-CZ 3.9Å; F156-F186 HydrophobicContact CZ-CD1 4.38Å; F156-F186 AromaticContact CZ-CE1 3.84Å; F156-F186 HydrophobicContact CZ-CE1 3.84Å; F156-F186 HydrophobicContact CZ-CE2 4.13Å; F156-F186 AromaticContact CZ-CZ 3.68Å; F156-F186 HydrophobicContact CZ-CZ 3.68Å; F156-V189 HydrophobicContact CB-CG1 4.27Å; F156-V189 HydrophobicContact CD2-CG1 3.8Å; F156-V189 HydrophobicContact CG-CG1 4.24Å; F156-N193 HydrophobicContact CB-CB 4.15Å; F156-N193 WeakPolarHBondContact CD1-O 3.42Å; F156-P195 HydrophobicContact CD1-CB 4.34Å; F156-P195 HydrophobicContact CE1-CB 4.47Å; F156-M238 HydrophobicContact CE1-SD 4.1Å; F156-M238 HydrophobicContact CZ-SD 4.06Å |
| 157 | S | 89.2 | Confident | 93.2 | Very high | 50 Ų | 50 | 21.6 Ų | 21.6 | 35% | 0.35 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -113.2 | -7.1 | -173.1 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | V153 L154 | V153-S157 WeakPolarHBondContact O-CB 3.44Å; V153-S157 PolarHBondContact O-N 3.27Å; V153-S157 PolarHBondContact O-OG 3.11Å; L154-S157 PolarHBondContact O-N 3.41Å |
| 158 | S | 89.2 | Confident | 93.2 | Very high | 2 Ų | 2 | 21.6 Ų | 21.6 | 1% | 0.014 | 11% | 0.112 | C | C | . | . | trans | -135.8 | 136 | -177.2 | 176.8 | 0 | 0 | 0 | 0 | 112.6 | F119 L154 Y160 G161 F196 | F119-S158 WeakPolarHBondContact CE1-OG 3.36Å; L154-S158 WeakPolarHBondContact O-CB 3.13Å; L154-S158 PolarHBondContact O-N 3.17Å; S158-Y160 PolarHBondContact O-N 3.39Å; S158-Y160 PolarHBondContact OG-N 2.64Å; S158-G161 PolarHBondContact O-N 3.24Å; S158-F196 WeakPolarHBondContact O-CE1 3.28Å | ||
| 159 | P | 86.1 | Confident | 93.2 | Very high | 63 Ų | 63 | 21.5 Ų | 21.5 | 41% | 0.409 | 11% | 0.111 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58 | -21.5 | 176.3 | 22.6 | -32.2 | 0 | 0 | 0 | 115 | Y162 F196 | P159-Y162 WeakPolarHBondContact O-CD1 2.8Å; P159-Y162 WeakPolarHBondContact O-CE1 3.49Å; P159-F196 VanDerWaalsContact CA-CE2 3.46Å; P159-F196 HydrophobicContact CB-CD2 4.44Å; P159-F196 HydrophobicContact CB-CE2 3.79Å; P159-F196 HydrophobicContact CB-CZ 4.19Å |
| 160 | Y | 89.3 | Confident | 93.2 | Very high | 74 Ų | 74 | 21 Ų | 21 | 29% | 0.29 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 10.7 | -178.9 | -53.7 | -75.3 | 0 | 0 | 0 | 113 | Y124 F129 S158 Y162 L163 | Y124-Y160 AromaticContact CD2-CD1 3.52Å; Y124-Y160 HydrophobicContact CD2-CD1 3.52Å; Y124-Y160 AromaticContact CD2-CD2 3.98Å; Y124-Y160 HydrophobicContact CD2-CD2 3.98Å; Y124-Y160 AromaticContact CD2-CE1 3.49Å; Y124-Y160 HydrophobicContact CD2-CE1 3.49Å; Y124-Y160 VanDerWaalsContact CD2-CE1 3.49Å; Y124-Y160 AromaticContact CD2-CE2 3.98Å; Y124-Y160 HydrophobicContact CD2-CE2 3.98Å; Y124-Y160 AromaticContact CD2-CG 3.76Å; Y124-Y160 HydrophobicContact CD2-CG 3.76Å; Y124-Y160 AromaticContact CD2-CZ 3.73Å; Y124-Y160 AromaticContact CE2-CD1 3.78Å; Y124-Y160 HydrophobicContact CE2-CD1 3.78Å; Y124-Y160 AromaticContact CE2-CE1 3.94Å; Y124-Y160 HydrophobicContact CE2-CE1 3.94Å; Y124-Y160 HydrophobicContact CE2-CG 4.29Å; Y124-Y160 HydrophobicContact CG-CD1 4.33Å; Y124-Y160 AromaticContact CG-CE1 3.84Å; Y124-Y160 HydrophobicContact CG-CE1 3.84Å; Y124-Y160 HydrophobicContact CG-CE2 4.11Å; Y124-Y160 AromaticContact CG-CZ 3.73Å; F129-Y160 HydrophobicContact CD1-CD2 4.47Å; F129-Y160 HydrophobicContact CD1-CG 4.15Å; F129-Y160 AromaticContact CE1-CD2 3.69Å; F129-Y160 HydrophobicContact CE1-CD2 3.69Å; F129-Y160 AromaticContact CE1-CG 3.8Å; F129-Y160 HydrophobicContact CE1-CG 3.8Å; F129-Y160 HydrophobicContact CZ-CD2 4.42Å; S158-Y160 PolarHBondContact O-N 3.39Å; S158-Y160 PolarHBondContact OG-N 2.64Å; Y160-Y162 HydrophobicContact CD1-CE1 4.2Å; Y160-Y162 PolarHBondContact O-N 3.06Å; Y160-Y162 VanDerWaalsContact O-N 3.14Å; Y160-L163 WeakPolarHBondContact O-CB 3.47Å; Y160-L163 PolarHBondContact O-N 3.31Å; Y160-L163 VanDerWaalsContact O-N 3.12Å |
| 161 | G | 91 | Very high | 93.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S158 L163 I164 F165 | S158-G161 PolarHBondContact O-N 3.24Å; G161-L163 PolarHBondContact O-N 3.09Å; G161-I164 PolarHBondContact O-N 2.98Å; G161-I164 VanDerWaalsContact O-N 3.14Å; G161-F165 WeakPolarHBondContact O-CB 3.29Å; G161-F165 PolarHBondContact O-N 3.18Å |
| 162 | Y | 90.8 | Very high | 93.3 | Very high | 54 Ų | 54 | 23.5 Ų | 23.5 | 21% | 0.212 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -28.9 | 176.5 | 73.2 | -93.4 | 0 | 0 | 0 | 113.7 | P159 Y160 I164 S166 E201 | P159-Y162 WeakPolarHBondContact O-CD1 2.8Å; P159-Y162 WeakPolarHBondContact O-CE1 3.49Å; Y160-Y162 HydrophobicContact CD1-CE1 4.2Å; Y160-Y162 PolarHBondContact O-N 3.06Å; Y160-Y162 VanDerWaalsContact O-N 3.14Å; Y162-I164 VanDerWaalsContact C-N 3.29Å; Y162-I164 PolarHBondContact O-N 2.93Å; Y162-S166 WeakPolarHBondContact O-CB 3.16Å; Y162-S166 PolarHBondContact O-N 3.23Å; Y162-S166 PolarHBondContact O-OG 2.87Å; Y162-E201 HydrophobicContact CD2-CB 3.8Å; Y162-E201 HydrophobicContact CD2-CG 3.66Å; Y162-E201 HydrophobicContact CE2-CB 3.91Å; Y162-E201 HydrophobicContact CE2-CG 3.62Å; Y162-E201 HydrophobicContact CG-CB 4.26Å |
| 163 | L | 91.6 | Very high | 93.3 | Very high | 46 Ų | 46 | 26.6 Ų | 26.6 | 24% | 0.241 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -33.6 | 178.2 | -67.6 | 174.7 | 0 | 0 | 0 | 112.3 | Y124 F129 Y160 G161 S166 | Y124-L163 HydrophobicContact CE2-CD1 4.1Å; F129-L163 HydrophobicContact CB-CD1 4.11Å; F129-L163 HydrophobicContact CD1-CD1 4.22Å; Y160-L163 WeakPolarHBondContact O-CB 3.47Å; Y160-L163 PolarHBondContact O-N 3.31Å; Y160-L163 VanDerWaalsContact O-N 3.12Å; G161-L163 PolarHBondContact O-N 3.09Å; L163-S166 PolarHBondContact O-OG 3.21Å |
| 164 | I | 94.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -83.5 | -48.6 | 176.2 | -61.9 | 167.1 | 0 | 0 | 0 | 109.1 | F119 V132 F136 A151 L154 G161 Y162 S166 K167 I168 | F119-I164 HydrophobicContact CD1-CD1 4.41Å; F119-I164 HydrophobicContact CD2-CD1 4.44Å; F119-I164 HydrophobicContact CE1-CD1 3.96Å; F119-I164 HydrophobicContact CE2-CD1 4Å; F119-I164 HydrophobicContact CZ-CD1 3.73Å; V132-I164 HydrophobicContact CG1-CD1 3.58Å; V132-I164 HydrophobicContact CG1-CG1 4.09Å; F136-I164 HydrophobicContact CB-CG2 3.95Å; F136-I164 HydrophobicContact CD1-CG2 3.31Å; F136-I164 HydrophobicContact CD2-CG2 3.97Å; F136-I164 HydrophobicContact CE1-CG2 3.69Å; F136-I164 HydrophobicContact CE2-CD1 4.27Å; F136-I164 HydrophobicContact CE2-CG2 4.27Å; F136-I164 HydrophobicContact CG-CG2 3.46Å; F136-I164 VanDerWaalsContact CG-CG2 3.46Å; F136-I164 HydrophobicContact CZ-CD1 4.49Å; F136-I164 HydrophobicContact CZ-CG2 4.15Å; A151-I164 HydrophobicContact CB-CG2 4.04Å; L154-I164 HydrophobicContact CD1-CD1 3.58Å; G161-I164 PolarHBondContact O-N 2.98Å; G161-I164 VanDerWaalsContact O-N 3.14Å; Y162-I164 VanDerWaalsContact C-N 3.29Å; Y162-I164 PolarHBondContact O-N 2.93Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.99Å; I164-K167 PolarHBondContact O-N 3.07Å; I164-I168 HydrophobicContact CG2-CG1 4.49Å; I164-I168 PolarHBondContact O-N 3.21Å |
| 165 | F | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.8 | -44.6 | -176.9 | -173.3 | -111.6 | 0 | 0 | 0 | 112 | A151 V152 L155 G161 K167 I168 V169 L182 F186 W204 M208 | A151-F165 HydrophobicContact CB-CD2 4.49Å; V152-F165 HydrophobicContact CG2-CD2 4.39Å; V152-F165 HydrophobicContact CG2-CE2 3.8Å; L155-F165 HydrophobicContact CB-CB 4.25Å; L155-F165 HydrophobicContact CB-CD2 4.38Å; L155-F165 HydrophobicContact CB-CG 4.21Å; L155-F165 HydrophobicContact CD1-CB 4.05Å; L155-F165 HydrophobicContact CD1-CD1 3.97Å; L155-F165 HydrophobicContact CD1-CG 4.12Å; L155-F165 HydrophobicContact CD2-CD1 3.54Å; L155-F165 HydrophobicContact CD2-CD2 4.06Å; L155-F165 HydrophobicContact CD2-CE1 3.55Å; L155-F165 HydrophobicContact CD2-CE2 4.1Å; L155-F165 HydrophobicContact CD2-CG 3.79Å; L155-F165 HydrophobicContact CD2-CZ 3.84Å; L155-F165 HydrophobicContact CG-CD1 4.27Å; L155-F165 HydrophobicContact CG-CG 4.27Å; G161-F165 WeakPolarHBondContact O-CB 3.29Å; G161-F165 PolarHBondContact O-N 3.18Å; F165-K167 VanDerWaalsContact C-N 3.35Å; F165-K167 PolarHBondContact O-N 3.14Å; F165-I168 PolarHBondContact O-N 3.27Å; F165-I168 VanDerWaalsContact O-N 3.13Å; F165-V169 HydrophobicContact CD1-CG2 3.73Å; F165-V169 HydrophobicContact CD2-CG2 3.91Å; F165-V169 HydrophobicContact CE1-CG2 3.38Å; F165-V169 HydrophobicContact CE2-CG2 3.54Å; F165-V169 HydrophobicContact CG-CG2 4Å; F165-V169 HydrophobicContact CZ-CG2 3.28Å; F165-V169 VanDerWaalsContact O-CG2 3.29Å; F165-V169 WeakPolarHBondContact O-CG2 3.42Å; F165-V169 PolarHBondContact O-N 3.32Å; F165-L182 HydrophobicContact CE2-CD1 4.09Å; F165-F186 HydrophobicContact CE1-CE2 4.29Å; F165-F186 HydrophobicContact CE2-CD2 4.26Å; F165-F186 HydrophobicContact CE2-CE2 4.46Å; F165-F186 AromaticContact CZ-CD2 3.84Å; F165-F186 HydrophobicContact CZ-CD2 3.84Å; F165-F186 AromaticContact CZ-CE2 3.77Å; F165-F186 HydrophobicContact CZ-CE2 3.77Å; F165-W204 AromaticContact CD1-CD2 3.83Å; F165-W204 HydrophobicContact CD1-CD2 3.83Å; F165-W204 AromaticContact CD1-CE3 3.89Å; F165-W204 HydrophobicContact CD1-CE3 3.89Å; F165-W204 HydrophobicContact CD1-CG 4.26Å; F165-W204 HydrophobicContact CD1-CH2 4.49Å; F165-W204 HydrophobicContact CD1-CZ2 4.47Å; F165-W204 HydrophobicContact CD1-CZ3 4.24Å; F165-W204 AromaticContact CE1-CD2 3.93Å; F165-W204 HydrophobicContact CE1-CD2 3.93Å; F165-W204 AromaticContact CE1-CE3 3.48Å; F165-W204 HydrophobicContact CE1-CE3 3.48Å; F165-W204 VanDerWaalsContact CE1-CE3 3.48Å; F165-W204 HydrophobicContact CE1-CH2 4.1Å; F165-W204 AromaticContact CE1-CZ3 3.59Å; F165-W204 HydrophobicContact CE1-CZ3 3.59Å; F165-M208 HydrophobicContact CE1-CE 4.43Å; F165-M208 HydrophobicContact CE1-CG 3.94Å; F165-M208 HydrophobicContact CE1-SD 4.07Å; F165-M208 HydrophobicContact CZ-CE 3.9Å; F165-M208 HydrophobicContact CZ-CG 4.15Å; F165-M208 HydrophobicContact CZ-SD 3.64Å |
| 166 | S | 95.4 | Very high | 93.2 | Very high | 27 Ų | 27 | 39 Ų | 39 | 19% | 0.189 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -54.5 | -47 | 178.5 | 55.1 | 0 | 0 | 0 | 0 | 113.2 | Y162 L163 I164 I168 S170 | Y162-S166 WeakPolarHBondContact O-CB 3.16Å; Y162-S166 PolarHBondContact O-N 3.23Å; Y162-S166 PolarHBondContact O-OG 2.87Å; L163-S166 PolarHBondContact O-OG 3.21Å; I164-S166 VanDerWaalsContact C-N 3.33Å; I164-S166 PolarHBondContact O-N 2.99Å; S166-I168 PolarHBondContact O-N 2.95Å; S166-S170 PolarHBondContact O-N 2.8Å; S166-S170 VanDerWaalsContact O-N 3.1Å; S166-S170 PolarHBondContact O-OG 2.95Å; S166-S170 VanDerWaalsContact O-OG 3.06Å |
| 167 | K | 96.4 | Very high | 93.2 | Very high | 60 Ų | 60 | 45.2 Ų | 45.2 | 26% | 0.261 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -42 | 177.7 | -66.7 | -175.7 | 176.6 | -172 | 0 | 112.2 | G133 D134 V137 I164 F165 S170 L171 | G133-K167 WeakPolarHBondContact O-CD 3.31Å; D134-K167 IonicContact OD1-NZ 3.81Å; D134-K167 PolarHBondContact OD1-NZ 3.07Å; V137-K167 HydrophobicContact CG2-CB 3.79Å; V137-K167 HydrophobicContact CG2-CD 4.02Å; V137-K167 HydrophobicContact CG2-CG 4.43Å; I164-K167 PolarHBondContact O-N 3.07Å; F165-K167 VanDerWaalsContact C-N 3.35Å; F165-K167 PolarHBondContact O-N 3.14Å; K167-S170 PolarHBondContact O-N 3.4Å; K167-L171 PolarHBondContact O-N 3.12Å |
| 168 | I | 97.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -42.1 | -178.8 | -65.7 | -51.6 | 0 | 0 | 0 | 111.8 | F136 Y140 V147 V148 A151 I164 F165 S166 S170 L171 V172 | F136-I168 HydrophobicContact CB-CD1 4Å; F136-I168 HydrophobicContact CB-CG1 4.3Å; F136-I168 HydrophobicContact CD1-CG1 4.36Å; Y140-I168 HydrophobicContact CD2-CD1 4.36Å; V147-I168 HydrophobicContact CG1-CD1 3.53Å; V147-I168 HydrophobicContact CG1-CG1 4.06Å; V148-I168 HydrophobicContact CG2-CG2 4Å; A151-I168 HydrophobicContact CB-CB 4.18Å; A151-I168 HydrophobicContact CB-CG1 3.99Å; A151-I168 HydrophobicContact CB-CG2 4.26Å; I164-I168 HydrophobicContact CG2-CG1 4.49Å; I164-I168 PolarHBondContact O-N 3.21Å; F165-I168 PolarHBondContact O-N 3.27Å; F165-I168 VanDerWaalsContact O-N 3.13Å; S166-I168 PolarHBondContact O-N 2.95Å; I168-S170 VanDerWaalsContact C-N 3.32Å; I168-S170 PolarHBondContact O-N 3.29Å; I168-L171 HydrophobicContact CD1-CD1 4.19Å; I168-L171 PolarHBondContact O-N 3.42Å; I168-V172 HydrophobicContact CG2-CG2 4.32Å; I168-V172 WeakPolarHBondContact O-CG2 3.3Å; I168-V172 PolarHBondContact O-N 3.38Å |
| 169 | V | 96.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.7 | -42 | 175.7 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | F165 L171 V172 K173 L182 D207 M208 I211 | F165-V169 HydrophobicContact CD1-CG2 3.73Å; F165-V169 HydrophobicContact CD2-CG2 3.91Å; F165-V169 HydrophobicContact CE1-CG2 3.38Å; F165-V169 HydrophobicContact CE2-CG2 3.54Å; F165-V169 HydrophobicContact CG-CG2 4Å; F165-V169 HydrophobicContact CZ-CG2 3.28Å; F165-V169 VanDerWaalsContact O-CG2 3.29Å; F165-V169 WeakPolarHBondContact O-CG2 3.42Å; F165-V169 PolarHBondContact O-N 3.32Å; V169-L171 VanDerWaalsContact C-N 3.28Å; V169-L171 PolarHBondContact O-N 3.11Å; V169-V172 PolarHBondContact O-N 2.92Å; V169-K173 WeakPolarHBondContact O-CB 3.49Å; V169-K173 PolarHBondContact O-N 3.35Å; V169-L182 HydrophobicContact CG2-CD2 4.33Å; V169-D207 HydrophobicContact CG1-CB 3.54Å; V169-M208 HydrophobicContact CG1-CB 4.46Å; V169-M208 HydrophobicContact CG1-CG 3.69Å; V169-M208 HydrophobicContact CG1-SD 3.84Å; V169-M208 HydrophobicContact CG2-CG 4.06Å; V169-M208 HydrophobicContact CG2-SD 3.77Å; V169-I211 HydrophobicContact CG1-CD1 3.94Å |
| 170 | S | 96.6 | Very high | 93.9 | Very high | 49 Ų | 49 | 43.2 Ų | 43.2 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.6 | -36.4 | 176.7 | -62 | 0 | 0 | 0 | 0 | 112.8 | S166 K167 I168 D207 | S166-S170 PolarHBondContact O-N 2.8Å; S166-S170 VanDerWaalsContact O-N 3.1Å; S166-S170 PolarHBondContact O-OG 2.95Å; S166-S170 VanDerWaalsContact O-OG 3.06Å; K167-S170 PolarHBondContact O-N 3.4Å; I168-S170 VanDerWaalsContact C-N 3.32Å; I168-S170 PolarHBondContact O-N 3.29Å; S170-D207 WeakPolarHBondContact CA-OD2 3.38Å; S170-D207 WeakPolarHBondContact CB-OD2 3.41Å; S170-D207 PolarHBondContact OG-OD2 3.37Å |
| 171 | L | 96.9 | Very high | 94.1 | Very high | 52 Ų | 52 | 41.6 Ų | 41.6 | 27% | 0.272 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.9 | -48.9 | 173.1 | -68.3 | 172.4 | 0 | 0 | 0 | 111.6 | V137 Y140 K167 I168 V169 K173 E174 | V137-L171 HydrophobicContact CB-CD1 4.34Å; V137-L171 HydrophobicContact CG1-CD1 4.13Å; V137-L171 HydrophobicContact CG2-CD1 4.16Å; Y140-L171 HydrophobicContact CD1-CB 4.33Å; Y140-L171 HydrophobicContact CD1-CD1 3.88Å; Y140-L171 HydrophobicContact CE1-CB 4.15Å; Y140-L171 HydrophobicContact CG-CD1 3.92Å; K167-L171 PolarHBondContact O-N 3.12Å; I168-L171 HydrophobicContact CD1-CD1 4.19Å; I168-L171 PolarHBondContact O-N 3.42Å; V169-L171 VanDerWaalsContact C-N 3.28Å; V169-L171 PolarHBondContact O-N 3.11Å; L171-K173 VanDerWaalsContact C-N 3.28Å; L171-K173 PolarHBondContact O-N 2.87Å; L171-E174 PolarHBondContact O-N 2.74Å; L171-E174 VanDerWaalsContact O-N 3.15Å |
| 172 | V | 96.7 | Very high | 94.4 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.1 | -37.3 | -178.3 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | Y140 V148 I168 V169 E174 E175 N178 H179 L182 I211 | Y140-V172 HydrophobicContact CE2-CG2 4.05Å; Y140-V172 WeakPolarHBondContact OH-CG2 3.5Å; V148-V172 HydrophobicContact CG2-CG2 3.99Å; I168-V172 HydrophobicContact CG2-CG2 4.32Å; I168-V172 WeakPolarHBondContact O-CG2 3.3Å; I168-V172 PolarHBondContact O-N 3.38Å; V169-V172 PolarHBondContact O-N 2.92Å; V172-E174 PolarHBondContact O-N 3.3Å; V172-E175 CarbonylContact O-C 3.57Å; V172-E175 WeakPolarHBondContact O-CA 3.32Å; V172-E175 PolarHBondContact O-N 3.01Å; V172-E175 VanDerWaalsContact O-O 3.14Å; V172-N178 HydrophobicContact CG1-CB 4.12Å; V172-H179 PolarHBondContact O-CD2 3.43Å; V172-H179 VanDerWaalsContact O-CD2 3.25Å; V172-H179 PolarHBondContact O-NE2 3.24Å; V172-L182 HydrophobicContact CB-CD2 4.24Å; V172-L182 HydrophobicContact CG1-CB 4.06Å; V172-L182 HydrophobicContact CG1-CD2 3.84Å; V172-I211 HydrophobicContact CB-CD1 4.37Å; V172-I211 HydrophobicContact CG1-CD1 4.02Å |
| 173 | K | 95.8 | Very high | 94.6 | Very high | 65 Ų | 65 | 39 Ų | 39 | 28% | 0.283 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.3 | -34.4 | 177.3 | -178.2 | -168.1 | 70.2 | -172.3 | 0 | 113 | V169 L171 E175 H179 D207 A210 I211 | V169-K173 WeakPolarHBondContact O-CB 3.49Å; V169-K173 PolarHBondContact O-N 3.35Å; L171-K173 VanDerWaalsContact C-N 3.28Å; L171-K173 PolarHBondContact O-N 2.87Å; K173-E175 VanDerWaalsContact C-N 3.28Å; K173-H179 PolarHBondContact O-NE2 3.42Å; K173-D207 HydrophobicContact CB-CB 4.44Å; K173-D207 HydrophobicContact CD-CB 3.94Å; K173-D207 WeakPolarHBondContact CD-OD1 3.38Å; K173-D207 WeakPolarHBondContact CE-OD1 3.17Å; K173-D207 IonicContact NZ-OD1 2.68Å; K173-D207 PolarHBondContact NZ-OD1 2.8Å; K173-D207 IonicContact NZ-OD2 2.69Å; K173-A210 HydrophobicContact CD-CB 4.24Å; K173-A210 HydrophobicContact CG-CB 4.25Å; K173-I211 HydrophobicContact CB-CD1 4.21Å; K173-I211 HydrophobicContact CB-CG1 4.27Å |
| 174 | E | 95.7 | Very high | 94.7 | Very high | 139 Ų | 139 | 41.1 Ų | 41.1 | 65% | 0.65 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.2 | 179.3 | -57.2 | -61.7 | 144.8 | 0 | 0 | 112.6 | L171 V172 P176 | L171-E174 PolarHBondContact O-N 2.74Å; L171-E174 VanDerWaalsContact O-N 3.15Å; V172-E174 PolarHBondContact O-N 3.3Å; E174-P176 WeakPolarHBondContact O-CD 3.27Å |
| 175 | E | 94 | Very high | 94.7 | Very high | 48 Ų | 48 | 41.7 Ų | 41.7 | 22% | 0.224 | 22% | 0.216 | C | C | . | . | trans | -124.1 | 79.9 | -177.8 | -63.3 | -174.5 | -169.4 | 0 | 0 | 110.8 | Y140 R144 V172 K173 E177 N178 | Y140-E175 PolarHBondContact OH-OE2 2.89Å; R144-E175 IonicContact NE-OE2 3.61Å; V172-E175 CarbonylContact O-C 3.57Å; V172-E175 WeakPolarHBondContact O-CA 3.32Å; V172-E175 PolarHBondContact O-N 3.01Å; V172-E175 VanDerWaalsContact O-O 3.14Å; K173-E175 VanDerWaalsContact C-N 3.28Å; E175-E177 PolarHBondContact O-N 3.45Å; E175-N178 HydrophobicContact CB-CB 4.48Å; E175-N178 PolarHBondContact O-N 3.14Å; E175-N178 PolarHBondContact OE2-ND2 3Å | ||
| 176 | P | 88.9 | Confident | 94.7 | Very high | 86 Ų | 86 | 41.7 Ų | 41.7 | 56% | 0.558 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -53.1 | -28.6 | -175.7 | -28.6 | 36.2 | 0 | 0 | 0 | 115.7 | E174 N178 H179 | E174-P176 WeakPolarHBondContact O-CD 3.27Å; P176-N178 PolarHBondContact O-N 2.87Å; P176-H179 WeakPolarHBondContact O-CB 3.41Å; P176-H179 PolarHBondContact O-N 3.44Å |
| 177 | E | 90.8 | Very high | 94.6 | Very high | 133 Ų | 133 | 40.5 Ų | 40.5 | 62% | 0.621 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -61.4 | -22.4 | 174.7 | 62.5 | -91.7 | -145.6 | 0 | 0 | 113.9 | E175 | E175-E177 PolarHBondContact O-N 3.45Š|
| 178 | N | 92 | Very high | 94.4 | Very high | 25 Ų | 25 | 40 Ų | 40 | 13% | 0.134 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -99.5 | -3.5 | -178.4 | -67.2 | -45.8 | 0 | 0 | 0 | 113.2 | Y140 V172 E175 P176 S180 H181 L182 | Y140-N178 PolarHBondContact OH-ND2 2.65Å; V172-N178 HydrophobicContact CG1-CB 4.12Å; E175-N178 HydrophobicContact CB-CB 4.48Å; E175-N178 PolarHBondContact O-N 3.14Å; E175-N178 PolarHBondContact OE2-ND2 3Å; P176-N178 PolarHBondContact O-N 2.87Å; N178-S180 VanDerWaalsContact C-N 3.33Å; N178-S180 PolarHBondContact O-N 3.2Å; N178-H181 PolarHBondContact O-N 3.34Å; N178-L182 PolarHBondContact O-N 3.14Å |
| 179 | H | 94 | Very high | 94.2 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 5% | 0.051 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.5 | -42.1 | 179.9 | -72.7 | -169.6 | 0 | 0 | 0 | 112.3 | V172 K173 P176 L182 M183 I211 S214 L215 | V172-H179 PolarHBondContact O-CD2 3.43Å; V172-H179 VanDerWaalsContact O-CD2 3.25Å; V172-H179 PolarHBondContact O-NE2 3.24Å; K173-H179 PolarHBondContact O-NE2 3.42Å; P176-H179 WeakPolarHBondContact O-CB 3.41Å; P176-H179 PolarHBondContact O-N 3.44Å; H179-L182 PolarHBondContact O-N 3.47Å; H179-M183 PolarHBondContact O-N 3.14Å; H179-M183 VanDerWaalsContact O-N 3.13Å; H179-I211 HydrophobicContact CB-CG2 3.83Å; H179-S214 PolarHBondContact CE1-OG 3.33Å; H179-S214 PolarHBondContact ND1-OG 3.1Å; H179-L215 HydrophobicContact CB-CD1 4.28Å; H179-L215 HydrophobicContact CB-CD2 4.22Å; H179-L215 HydrophobicContact CB-CG 4.31Å |
| 180 | S | 92.4 | Very high | 93.9 | Very high | 37 Ų | 37 | 40.7 Ų | 40.7 | 26% | 0.259 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.9 | -46.3 | 179.5 | 55.3 | 0 | 0 | 0 | 0 | 111.8 | N178 L182 M183 E184 | N178-S180 VanDerWaalsContact C-N 3.33Å; N178-S180 PolarHBondContact O-N 3.2Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.47Å; S180-M183 PolarHBondContact O-N 3.46Å; S180-E184 WeakPolarHBondContact O-CB 3.13Å; S180-E184 WeakPolarHBondContact O-CG 3.48Å; S180-E184 PolarHBondContact O-N 2.99Å |
| 181 | H | 94.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 43 Ų | 43 | 19% | 0.185 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | -179.7 | -177.6 | 69.9 | 0 | 0 | 0 | 112 | E145 N178 T185 | E145-H181 VanDerWaalsContact CA-NE2 3.27Å; E145-H181 WeakPolarHBondContact CA-NE2 3.25Å; E145-H181 PolarHBondContact O-NE2 3.35Å; N178-H181 PolarHBondContact O-N 3.34Å; H181-T185 PolarHBondContact NE2-OG1 3.33Å; H181-T185 WeakPolarHBondContact O-CB 3.34Å; H181-T185 PolarHBondContact O-N 3Å; H181-T185 PolarHBondContact O-OG1 3.16Å |
| 182 | L | 96 | Very high | 93.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.7 | -45.5 | 175.1 | 178.2 | 66.5 | 0 | 0 | 0 | 111.6 | V148 V152 F165 V169 V172 N178 H179 S180 T185 F186 M208 I211 | V148-L182 HydrophobicContact CG1-CB 4.18Å; V148-L182 HydrophobicContact CG1-CD1 3.61Å; V152-L182 HydrophobicContact CG2-CD1 3.93Å; F165-L182 HydrophobicContact CE2-CD1 4.09Å; V169-L182 HydrophobicContact CG2-CD2 4.33Å; V172-L182 HydrophobicContact CB-CD2 4.24Å; V172-L182 HydrophobicContact CG1-CB 4.06Å; V172-L182 HydrophobicContact CG1-CD2 3.84Å; N178-L182 PolarHBondContact O-N 3.14Å; H179-L182 PolarHBondContact O-N 3.47Å; S180-L182 VanDerWaalsContact C-N 3.33Å; S180-L182 PolarHBondContact O-N 3.47Å; L182-T185 PolarHBondContact O-N 3.09Å; L182-F186 WeakPolarHBondContact O-CB 3.36Å; L182-F186 PolarHBondContact O-N 2.87Å; L182-M208 HydrophobicContact CD2-SD 3.76Å; L182-M208 HydrophobicContact CG-SD 4.46Å; L182-I211 HydrophobicContact CD2-CD1 3.57Å; L182-I211 HydrophobicContact CD2-CG2 4.49Å |
| 183 | M | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.1 | -46.5 | -179.9 | -69.9 | -53.5 | 90.5 | 0 | 0 | 112.9 | H179 S180 T185 F186 S187 M208 I211 I212 L215 D227 | H179-M183 PolarHBondContact O-N 3.14Å; H179-M183 VanDerWaalsContact O-N 3.13Å; S180-M183 PolarHBondContact O-N 3.46Å; M183-T185 PolarHBondContact O-N 3.07Å; M183-F186 PolarHBondContact O-N 2.86Å; M183-F186 VanDerWaalsContact O-N 3.17Å; M183-S187 WeakPolarHBondContact O-CB 3.05Å; M183-S187 PolarHBondContact O-N 2.54Å; M183-S187 PolarHBondContact O-OG 3.35Å; M183-M208 HydrophobicContact CE-CE 3.56Å; M183-M208 HydrophobicContact CE-SD 3.95Å; M183-I211 HydrophobicContact CE-CG2 3.86Å; M183-I211 HydrophobicContact CG-CG2 4.42Å; M183-I211 HydrophobicContact SD-CG2 4.4Å; M183-I212 HydrophobicContact SD-CG1 3.72Å; M183-L215 HydrophobicContact CB-CD1 4.04Å; M183-L215 HydrophobicContact CG-CD1 3.18Å; M183-L215 HydrophobicContact SD-CD1 4.47Å; M183-D227 HydrophobicContact CB-CB 4.47Å |
| 184 | E | 94.3 | Very high | 91.4 | Very high | 89 Ų | 89 | 52.6 Ų | 52.6 | 42% | 0.416 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 176.3 | -72.2 | 174.2 | -172.4 | 0 | 0 | 111.1 | S180 S187 S188 L224 | S180-E184 WeakPolarHBondContact O-CB 3.13Å; S180-E184 WeakPolarHBondContact O-CG 3.48Å; S180-E184 PolarHBondContact O-N 2.99Å; E184-S187 PolarHBondContact O-OG 3.21Å; E184-S187 VanDerWaalsContact O-OG 3.1Å; E184-S188 WeakPolarHBondContact O-CB 3.37Å; E184-S188 PolarHBondContact O-N 3.08Å; E184-L224 HydrophobicContact CG-CD2 3.88Å; E184-L224 VanDerWaalsContact OE1-CD2 3.26Å; E184-L224 WeakPolarHBondContact OE1-CD2 3.15Å |
| 185 | T | 95.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 47.8 Ų | 47.8 | 9% | 0.086 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.9 | -47.7 | 175.7 | -62.7 | 0 | 0 | 0 | 0 | 111 | V148 E149 V152 H181 L182 M183 S188 V189 | V148-T185 HydrophobicContact CG1-CG2 4.4Å; E149-T185 HydrophobicContact CB-CG2 4.25Å; E149-T185 HydrophobicContact CG-CG2 4.34Å; V152-T185 HydrophobicContact CB-CG2 3.83Å; V152-T185 HydrophobicContact CG1-CG2 4.09Å; V152-T185 HydrophobicContact CG2-CG2 3.78Å; H181-T185 PolarHBondContact NE2-OG1 3.33Å; H181-T185 WeakPolarHBondContact O-CB 3.34Å; H181-T185 PolarHBondContact O-N 3Å; H181-T185 PolarHBondContact O-OG1 3.16Å; L182-T185 PolarHBondContact O-N 3.09Å; M183-T185 PolarHBondContact O-N 3.07Å; T185-S188 PolarHBondContact O-N 3.25Å; T185-V189 HydrophobicContact CG2-CG2 4.26Å; T185-V189 WeakPolarHBondContact O-CB 3.46Å; T185-V189 VanDerWaalsContact O-CG2 3.26Å; T185-V189 WeakPolarHBondContact O-CG2 3.5Å; T185-V189 PolarHBondContact O-N 3.37Å |
| 186 | F | 94.9 | Very high | 89 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.6 | -47.2 | -179.1 | -166.6 | -83.4 | 0 | 0 | 0 | 111.5 | V152 L155 F156 F165 L182 M183 G190 M208 F234 L235 M238 | V152-F186 HydrophobicContact CG1-CB 4.43Å; V152-F186 HydrophobicContact CG1-CD2 4.24Å; V152-F186 HydrophobicContact CG2-CD2 4.44Å; L155-F186 HydrophobicContact CD2-CE2 3.64Å; L155-F186 HydrophobicContact CD2-CZ 4.39Å; F156-F186 HydrophobicContact CE2-CD1 4.47Å; F156-F186 HydrophobicContact CE2-CD2 4.11Å; F156-F186 HydrophobicContact CE2-CE1 4.23Å; F156-F186 AromaticContact CE2-CE2 3.84Å; F156-F186 HydrophobicContact CE2-CE2 3.84Å; F156-F186 HydrophobicContact CE2-CG 4.41Å; F156-F186 AromaticContact CE2-CZ 3.9Å; F156-F186 HydrophobicContact CE2-CZ 3.9Å; F156-F186 HydrophobicContact CZ-CD1 4.38Å; F156-F186 AromaticContact CZ-CE1 3.84Å; F156-F186 HydrophobicContact CZ-CE1 3.84Å; F156-F186 HydrophobicContact CZ-CE2 4.13Å; F156-F186 AromaticContact CZ-CZ 3.68Å; F156-F186 HydrophobicContact CZ-CZ 3.68Å; F165-F186 HydrophobicContact CE1-CE2 4.29Å; F165-F186 HydrophobicContact CE2-CD2 4.26Å; F165-F186 HydrophobicContact CE2-CE2 4.46Å; F165-F186 AromaticContact CZ-CD2 3.84Å; F165-F186 HydrophobicContact CZ-CD2 3.84Å; F165-F186 AromaticContact CZ-CE2 3.77Å; F165-F186 HydrophobicContact CZ-CE2 3.77Å; L182-F186 WeakPolarHBondContact O-CB 3.36Å; L182-F186 PolarHBondContact O-N 2.87Å; M183-F186 PolarHBondContact O-N 2.86Å; M183-F186 VanDerWaalsContact O-N 3.17Å; F186-G190 PolarHBondContact O-N 3.44Å; F186-M208 HydrophobicContact CD2-CE 3.73Å; F186-M208 HydrophobicContact CE2-CE 3.8Å; F186-M208 HydrophobicContact CG-CE 4.14Å; F186-M208 HydrophobicContact CZ-CE 4.28Å; F186-F234 HydrophobicContact CE1-CB 3.94Å; F186-L235 HydrophobicContact CE1-CD2 4.25Å; F186-L235 HydrophobicContact CE1-CG 4.15Å; F186-L235 HydrophobicContact CE2-CD2 4.3Å; F186-L235 HydrophobicContact CZ-CD2 3.59Å; F186-L235 HydrophobicContact CZ-CG 4Å; F186-M238 HydrophobicContact CZ-SD 3.97Å |
| 187 | S | 93 | Very high | 88.4 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 177.2 | 73.4 | 0 | 0 | 0 | 0 | 111.2 | M183 E184 V189 G190 Q191 D227 | M183-S187 WeakPolarHBondContact O-CB 3.05Å; M183-S187 PolarHBondContact O-N 2.54Å; M183-S187 PolarHBondContact O-OG 3.35Å; E184-S187 PolarHBondContact O-OG 3.21Å; E184-S187 VanDerWaalsContact O-OG 3.1Å; S187-V189 PolarHBondContact O-N 2.92Å; S187-G190 PolarHBondContact O-N 3.28Å; S187-Q191 WeakPolarHBondContact O-CB 3.47Å; S187-Q191 WeakPolarHBondContact O-CG 3.34Å; S187-Q191 PolarHBondContact O-N 2.86Å; S187-Q191 PolarHBondContact O-NE2 3.36Å; S187-D227 VanDerWaalsContact CB-OD1 3.3Å; S187-D227 WeakPolarHBondContact CB-OD1 3.45Å; S187-D227 PolarHBondContact OG-OD1 3.38Å |
| 188 | S | 93.1 | Very high | 88 | Confident | 49 Ų | 49 | 48.8 Ų | 48.8 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -38.6 | -178.1 | -175.5 | 0 | 0 | 0 | 0 | 113 | E184 T185 K192 | E184-S188 WeakPolarHBondContact O-CB 3.37Å; E184-S188 PolarHBondContact O-N 3.08Å; T185-S188 PolarHBondContact O-N 3.25Å; S188-K192 WeakPolarHBondContact O-CD 2.84Å; S188-K192 WeakPolarHBondContact O-CG 3.45Å; S188-K192 PolarHBondContact OG-NZ 3.29Å |
| 189 | V | 92.4 | Very high | 87.5 | Confident | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.5 | -45.7 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111 | V152 V153 F156 T185 S187 Q191 K192 N193 | V152-V189 HydrophobicContact CG1-CB 3.66Å; V152-V189 HydrophobicContact CG1-CG1 3.9Å; V152-V189 HydrophobicContact CG1-CG2 3.91Å; V153-V189 HydrophobicContact CG2-CG1 4Å; V153-V189 HydrophobicContact CG2-CG2 3.79Å; F156-V189 HydrophobicContact CB-CG1 4.27Å; F156-V189 HydrophobicContact CD2-CG1 3.8Å; F156-V189 HydrophobicContact CG-CG1 4.24Å; T185-V189 HydrophobicContact CG2-CG2 4.26Å; T185-V189 WeakPolarHBondContact O-CB 3.46Å; T185-V189 VanDerWaalsContact O-CG2 3.26Å; T185-V189 WeakPolarHBondContact O-CG2 3.5Å; T185-V189 PolarHBondContact O-N 3.37Å; S187-V189 PolarHBondContact O-N 2.92Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 3.46Å; V189-K192 PolarHBondContact O-N 3.43Å; V189-N193 PolarHBondContact O-N 2.87Å; V189-N193 PolarHBondContact O-ND2 3.41Å |
| 190 | G | 90 | Very high | 86.9 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.021 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.7 | -36.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | F186 S187 K192 N193 F234 | F186-G190 PolarHBondContact O-N 3.44Å; S187-G190 PolarHBondContact O-N 3.28Å; G190-K192 VanDerWaalsContact C-N 3.27Å; G190-K192 PolarHBondContact O-N 3.45Å; G190-N193 CarbonylContact O-C 3.39Å; G190-N193 PolarHBondContact O-N 3.34Å; G190-N193 VanDerWaalsContact O-O 3.1Å; G190-F234 VanDerWaalsContact C-CZ 3.44Å |
| 191 | Q | 89.2 | Confident | 86.6 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 45% | 0.453 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64 | -30.9 | 173.6 | -75.6 | 173.6 | 57.4 | 0 | 0 | 113.3 | S187 V189 I230 F234 L280 | S187-Q191 WeakPolarHBondContact O-CB 3.47Å; S187-Q191 WeakPolarHBondContact O-CG 3.34Å; S187-Q191 PolarHBondContact O-N 2.86Å; S187-Q191 PolarHBondContact O-NE2 3.36Å; V189-Q191 VanDerWaalsContact C-N 3.3Å; V189-Q191 PolarHBondContact O-N 3.46Å; Q191-I230 HydrophobicContact CG-CG2 4.35Å; Q191-F234 HydrophobicContact CB-CZ 4.27Å; Q191-F234 HydrophobicContact CG-CE2 3.88Å; Q191-F234 HydrophobicContact CG-CZ 3.64Å; Q191-L280 VanDerWaalsContact CD-CD2 3.49Å; Q191-L280 HydrophobicContact CG-CD2 4.16Å |
| 192 | K | 88.5 | Confident | 86.2 | Confident | 153 Ų | 153 | 52.9 Ų | 52.9 | 67% | 0.665 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -88.7 | -29.2 | 179.9 | -70.3 | 170 | -174.4 | 155 | 0 | 112.7 | S188 V189 G190 | S188-K192 WeakPolarHBondContact O-CD 2.84Å; S188-K192 WeakPolarHBondContact O-CG 3.45Å; S188-K192 PolarHBondContact OG-NZ 3.29Å; V189-K192 PolarHBondContact O-N 3.43Å; G190-K192 VanDerWaalsContact C-N 3.27Å; G190-K192 PolarHBondContact O-N 3.45Å |
| 193 | N | 82.5 | Confident | 85.8 | Confident | 65 Ų | 65 | 63 Ų | 63 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -132.3 | 99.5 | -175.4 | -52.4 | -74.6 | 0 | 0 | 0 | 108.4 | F156 V189 G190 | F156-N193 HydrophobicContact CB-CB 4.15Å; F156-N193 WeakPolarHBondContact CD1-O 3.42Å; V189-N193 PolarHBondContact O-N 2.87Å; V189-N193 PolarHBondContact O-ND2 3.41Å; G190-N193 CarbonylContact O-C 3.39Å; G190-N193 PolarHBondContact O-N 3.34Å; G190-N193 VanDerWaalsContact O-O 3.1Å |
| 194 | P | 74.2 | Confident | 85.7 | Confident | 101 Ų | 101 | 63 Ų | 63 | 66% | 0.656 | 31% | 0.312 | S | S | * | . | trans | -59.2 | 151.6 | 170.2 | 27.4 | -33.7 | 0 | 0 | 0 | 109.5 | F196 | P194-F196 PolarHBondContact O-N 3.31Š| ||
| 195 | P | 69.8 | Low | 85.5 | Confident | 38 Ų | 38 | 58.9 Ų | 58.9 | 25% | 0.247 | 29% | 0.293 | C | S | . | . | trans | -57.7 | 137.4 | -177.5 | 21.4 | -30.8 | 0 | 0 | 0 | 112.2 | F156 D197 M238 | F156-P195 HydrophobicContact CD1-CB 4.34Å; F156-P195 HydrophobicContact CE1-CB 4.47Å; P195-D197 VanDerWaalsContact C-N 3.32Å; P195-D197 PolarHBondContact O-N 3.23Å; P195-M238 HydrophobicContact CB-CG 3.7Å; P195-M238 HydrophobicContact CG-CG 3.92Å | ||
| 196 | F | 68.9 | Low | 85.3 | Confident | 82 Ų | 82 | 64.1 Ų | 64.1 | 36% | 0.36 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -65 | -32.6 | -173.9 | 70.8 | -86.9 | 0 | 0 | 0 | 113.4 | L155 S158 P159 P194 | L155-F196 WeakPolarHBondContact O-CE1 3.34Å; S158-F196 WeakPolarHBondContact O-CE1 3.28Å; P159-F196 VanDerWaalsContact CA-CE2 3.46Å; P159-F196 HydrophobicContact CB-CD2 4.44Å; P159-F196 HydrophobicContact CB-CE2 3.79Å; P159-F196 HydrophobicContact CB-CZ 4.19Å; P194-F196 PolarHBondContact O-N 3.31Å |
| 197 | D | 75.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 65.2 Ų | 65.2 | 57% | 0.572 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -164.9 | 175.5 | 177.9 | -156.6 | -9.2 | 0 | 0 | 0 | 109.5 | P195 | P195-D197 VanDerWaalsContact C-N 3.32Å; P195-D197 PolarHBondContact O-N 3.23Å |
| 198 | K | 82.2 | Confident | 85.3 | Confident | 99 Ų | 99 | 65.1 Ų | 65.1 | 43% | 0.43 | 32% | 0.32 | S | S | . | . | trans | -70.5 | 129.8 | 172 | -63.7 | -57.4 | -165.1 | 165.2 | 0 | 111 | N237 M238 F239 | K198-N237 PolarHBondContact NZ-O 3.11Å; K198-M238 CarbonylContact C-O 3.34Å; K198-M238 VanDerWaalsContact CA-O 3.32Å; K198-M238 WeakPolarHBondContact CA-O 3.48Å; K198-F239 WeakPolarHBondContact CD-O 3.33Å; K198-F239 WeakPolarHBondContact CE-O 3.36Å; K198-F239 PolarHBondContact NZ-O 3.01Å | ||
| 199 | V | 81.9 | Confident | 85.1 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 6% | 0.055 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -88.5 | 135.9 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | E201 M238 F239 | V199-E201 HydrophobicContact CG1-CB 4.39Å; V199-E201 WeakPolarHBondContact CG1-O 3.22Å; V199-M238 HydrophobicContact CG2-CE 3.99Å; V199-M238 PolarHBondContact N-O 3.39Å; V199-F239 HydrophobicContact CB-CD1 4.16Å; V199-F239 HydrophobicContact CB-CE1 3.93Å; V199-F239 HydrophobicContact CG1-CE1 3.96Å; V199-F239 VanDerWaalsContact O-CD1 3.23Å; V199-F239 WeakPolarHBondContact O-CD1 3.44Å |
| 200 | N | 82.6 | Confident | 85 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 66% | 0.663 | 33% | 0.33 | S | S | * | . | trans | -103.9 | -17.3 | 173.3 | -70.3 | -41.6 | 0 | 0 | 0 | 112.9 | ||||
| 201 | E | 85.1 | Confident | 85.1 | Confident | 41 Ų | 41 | 67.8 Ų | 67.8 | 19% | 0.192 | 33% | 0.329 | C | S | . | . | trans | -85.9 | 122.1 | -179.8 | -158.6 | -67.3 | 136.6 | 0 | 0 | 110.1 | Y162 V199 R203 W204 | Y162-E201 HydrophobicContact CD2-CB 3.8Å; Y162-E201 HydrophobicContact CD2-CG 3.66Å; Y162-E201 HydrophobicContact CE2-CB 3.91Å; Y162-E201 HydrophobicContact CE2-CG 3.62Å; Y162-E201 HydrophobicContact CG-CB 4.26Å; V199-E201 HydrophobicContact CG1-CB 4.39Å; V199-E201 WeakPolarHBondContact CG1-O 3.22Å; E201-R203 WeakPolarHBondContact OE1-CB 3.46Å; E201-R203 VanDerWaalsContact OE1-CD 3.31Å; E201-R203 WeakPolarHBondContact OE1-CD 3.18Å; E201-R203 WeakPolarHBondContact OE1-CG 3.3Å; E201-R203 PolarHBondContact OE1-N 3.09Å; E201-W204 PolarHBondContact O-NE1 3.11Å; E201-W204 PolarHBondContact OE2-NE1 3.13Å | ||
| 202 | T | 87.2 | Confident | 85.2 | Confident | 24 Ų | 24 | 63.3 Ų | 63.3 | 15% | 0.147 | 31% | 0.308 | C | S | . | . | trans | -119.9 | 0.5 | -170.5 | 61.4 | 0 | 0 | 0 | 0 | 114.7 | W204 L205 F239 V243 E247 | T202-W204 PolarHBondContact O-N 2.91Å; T202-W204 VanDerWaalsContact O-N 3.13Å; T202-L205 WeakPolarHBondContact O-CB 3.42Å; T202-L205 PolarHBondContact O-N 2.92Å; T202-F239 HydrophobicContact CG2-CD1 4.15Å; T202-F239 HydrophobicContact CG2-CE1 3.88Å; T202-V243 HydrophobicContact CG2-CG1 3.28Å; T202-E247 VanDerWaalsContact CB-OE1 3.3Å; T202-E247 WeakPolarHBondContact CB-OE1 3.44Å; T202-E247 HydrophobicContact CG2-CG 3.99Å; T202-E247 PolarHBondContact OG1-OE1 2.77Å | ||
| 203 | R | 87.8 | Confident | 85.2 | Confident | 214 Ų | 214 | 56.7 Ų | 56.7 | 81% | 0.808 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -32.9 | -170.5 | -68.6 | 171 | -179.8 | -178 | 2.7 | 112.9 | E201 L205 | E201-R203 WeakPolarHBondContact OE1-CB 3.46Å; E201-R203 VanDerWaalsContact OE1-CD 3.31Å; E201-R203 WeakPolarHBondContact OE1-CD 3.18Å; E201-R203 WeakPolarHBondContact OE1-CG 3.3Å; E201-R203 PolarHBondContact OE1-N 3.09Å; R203-L205 VanDerWaalsContact C-N 3.32Å |
| 204 | W | 91.1 | Very high | 85.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -14.5 | 177.6 | 59.9 | -95.7 | 0 | 0 | 0 | 113.8 | L155 F165 E201 T202 K206 D207 M208 L235 M238 F239 | L155-W204 HydrophobicContact CD1-CZ2 4.29Å; L155-W204 HydrophobicContact CD2-CH2 4.45Å; F165-W204 AromaticContact CD1-CD2 3.83Å; F165-W204 HydrophobicContact CD1-CD2 3.83Å; F165-W204 AromaticContact CD1-CE3 3.89Å; F165-W204 HydrophobicContact CD1-CE3 3.89Å; F165-W204 HydrophobicContact CD1-CG 4.26Å; F165-W204 HydrophobicContact CD1-CH2 4.49Å; F165-W204 HydrophobicContact CD1-CZ2 4.47Å; F165-W204 HydrophobicContact CD1-CZ3 4.24Å; F165-W204 AromaticContact CE1-CD2 3.93Å; F165-W204 HydrophobicContact CE1-CD2 3.93Å; F165-W204 AromaticContact CE1-CE3 3.48Å; F165-W204 HydrophobicContact CE1-CE3 3.48Å; F165-W204 VanDerWaalsContact CE1-CE3 3.48Å; F165-W204 HydrophobicContact CE1-CH2 4.1Å; F165-W204 AromaticContact CE1-CZ3 3.59Å; F165-W204 HydrophobicContact CE1-CZ3 3.59Å; E201-W204 PolarHBondContact O-NE1 3.11Å; E201-W204 PolarHBondContact OE2-NE1 3.13Å; T202-W204 PolarHBondContact O-N 2.91Å; T202-W204 VanDerWaalsContact O-N 3.13Å; W204-K206 VanDerWaalsContact C-N 3.26Å; W204-K206 PolarHBondContact O-N 2.82Å; W204-D207 PolarHBondContact O-N 3.06Å; W204-D207 VanDerWaalsContact O-N 3.1Å; W204-M208 HydrophobicContact CE3-CB 4.13Å; W204-M208 HydrophobicContact CE3-CG 3.45Å; W204-M208 VanDerWaalsContact CE3-CG 3.45Å; W204-M208 HydrophobicContact CZ3-CB 4.19Å; W204-M208 HydrophobicContact CZ3-CG 3.6Å; W204-M208 PolarHBondContact O-N 2.8Å; W204-L235 HydrophobicContact CH2-CD2 3.44Å; W204-L235 VanDerWaalsContact CH2-CD2 3.44Å; W204-L235 HydrophobicContact CZ3-CD2 3.41Å; W204-L235 VanDerWaalsContact CZ3-CD2 3.41Å; W204-M238 HydrophobicContact CH2-CE 4.4Å; W204-M238 HydrophobicContact CZ2-CE 4.44Å; W204-F239 HydrophobicContact CH2-CE2 4.31Å; W204-F239 AromaticContact CH2-CZ 3.83Å; W204-F239 HydrophobicContact CH2-CZ 3.83Å; W204-F239 HydrophobicContact CZ2-CE1 4.45Å; W204-F239 AromaticContact CZ2-CZ 3.71Å; W204-F239 HydrophobicContact CZ2-CZ 3.71Å |
| 205 | L | 90.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62 | -36.4 | -177 | -173.2 | 58.7 | 0 | 0 | 0 | 111.5 | T202 R203 D207 M208 W209 L235 F239 E247 F250 | T202-L205 WeakPolarHBondContact O-CB 3.42Å; T202-L205 PolarHBondContact O-N 2.92Å; R203-L205 VanDerWaalsContact C-N 3.32Å; L205-D207 VanDerWaalsContact C-N 3.32Å; L205-D207 PolarHBondContact O-N 3.42Å; L205-M208 PolarHBondContact O-N 3.22Å; L205-W209 VanDerWaalsContact O-CB 3.23Å; L205-W209 WeakPolarHBondContact O-CB 3.34Å; L205-W209 PolarHBondContact O-N 3.35Å; L205-L235 HydrophobicContact CD1-CD1 4.35Å; L205-L235 HydrophobicContact CD1-CD2 4.32Å; L205-F239 HydrophobicContact CD1-CE2 3.78Å; L205-F239 HydrophobicContact CD1-CZ 4.21Å; L205-F239 HydrophobicContact CD2-CD2 4.45Å; L205-F239 HydrophobicContact CD2-CE2 3.94Å; L205-F239 HydrophobicContact CD2-CZ 4.2Å; L205-F239 HydrophobicContact CG-CE2 4.41Å; L205-E247 HydrophobicContact CD2-CB 4.04Å; L205-E247 HydrophobicContact CD2-CG 4.02Å; L205-F250 HydrophobicContact CD1-CD1 4.34Å; L205-F250 HydrophobicContact CD1-CD2 3.83Å; L205-F250 HydrophobicContact CD1-CE1 4.27Å; L205-F250 HydrophobicContact CD1-CE2 3.76Å; L205-F250 HydrophobicContact CD1-CG 4.13Å; L205-F250 HydrophobicContact CD1-CZ 4Å; L205-F250 HydrophobicContact CD2-CB 4.11Å; L205-F250 HydrophobicContact CD2-CD1 3.81Å; L205-F250 HydrophobicContact CD2-CD2 4.34Å; L205-F250 HydrophobicContact CD2-CE1 4.35Å; L205-F250 HydrophobicContact CD2-CG 3.81Å; L205-F250 HydrophobicContact CG-CB 4.37Å; L205-F250 HydrophobicContact CG-CD1 4.36Å; L205-F250 HydrophobicContact CG-CD2 4.02Å; L205-F250 HydrophobicContact CG-CE2 4.45Å; L205-F250 HydrophobicContact CG-CG 3.97Å |
| 206 | K | 90.8 | Very high | 86.7 | Confident | 125 Ų | 125 | 51.6 Ų | 51.6 | 54% | 0.543 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 176 | -67.9 | -174.6 | 179.4 | -177.1 | 0 | 112.6 | W204 A210 | W204-K206 VanDerWaalsContact C-N 3.26Å; W204-K206 PolarHBondContact O-N 2.82Å; K206-A210 PolarHBondContact O-N 3.33Å; K206-A210 VanDerWaalsContact O-N 3.09Å |
| 207 | D | 94.4 | Very high | 87.2 | Confident | 23 Ų | 23 | 56.7 Ų | 56.7 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -73 | -43.8 | 177.1 | -68.2 | -18.8 | 0 | 0 | 0 | 110.7 | V169 S170 K173 W204 L205 W209 A210 I211 | V169-D207 HydrophobicContact CG1-CB 3.54Å; S170-D207 WeakPolarHBondContact CA-OD2 3.38Å; S170-D207 WeakPolarHBondContact CB-OD2 3.41Å; S170-D207 PolarHBondContact OG-OD2 3.37Å; K173-D207 HydrophobicContact CB-CB 4.44Å; K173-D207 HydrophobicContact CD-CB 3.94Å; K173-D207 WeakPolarHBondContact CD-OD1 3.38Å; K173-D207 WeakPolarHBondContact CE-OD1 3.17Å; K173-D207 IonicContact NZ-OD1 2.68Å; K173-D207 PolarHBondContact NZ-OD1 2.8Å; K173-D207 IonicContact NZ-OD2 2.69Å; W204-D207 PolarHBondContact O-N 3.06Å; W204-D207 VanDerWaalsContact O-N 3.1Å; L205-D207 VanDerWaalsContact C-N 3.32Å; L205-D207 PolarHBondContact O-N 3.42Å; D207-W209 VanDerWaalsContact C-N 3.28Å; D207-W209 PolarHBondContact O-N 2.97Å; D207-A210 WeakPolarHBondContact O-CB 3.38Å; D207-A210 PolarHBondContact O-N 3.49Å; D207-I211 WeakPolarHBondContact O-CG1 3.47Å; D207-I211 PolarHBondContact O-N 2.96Å; D207-I211 VanDerWaalsContact O-N 3.14Å |
| 208 | M | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.3 | -41.6 | 172.6 | -81.3 | -64.3 | -79.5 | 0 | 0 | 112.1 | F165 V169 L182 M183 F186 W204 L205 A210 I211 I212 L235 | F165-M208 HydrophobicContact CE1-CE 4.43Å; F165-M208 HydrophobicContact CE1-CG 3.94Å; F165-M208 HydrophobicContact CE1-SD 4.07Å; F165-M208 HydrophobicContact CZ-CE 3.9Å; F165-M208 HydrophobicContact CZ-CG 4.15Å; F165-M208 HydrophobicContact CZ-SD 3.64Å; V169-M208 HydrophobicContact CG1-CB 4.46Å; V169-M208 HydrophobicContact CG1-CG 3.69Å; V169-M208 HydrophobicContact CG1-SD 3.84Å; V169-M208 HydrophobicContact CG2-CG 4.06Å; V169-M208 HydrophobicContact CG2-SD 3.77Å; L182-M208 HydrophobicContact CD2-SD 3.76Å; L182-M208 HydrophobicContact CG-SD 4.46Å; M183-M208 HydrophobicContact CE-CE 3.56Å; M183-M208 HydrophobicContact CE-SD 3.95Å; F186-M208 HydrophobicContact CD2-CE 3.73Å; F186-M208 HydrophobicContact CE2-CE 3.8Å; F186-M208 HydrophobicContact CG-CE 4.14Å; F186-M208 HydrophobicContact CZ-CE 4.28Å; W204-M208 HydrophobicContact CE3-CB 4.13Å; W204-M208 HydrophobicContact CE3-CG 3.45Å; W204-M208 VanDerWaalsContact CE3-CG 3.45Å; W204-M208 HydrophobicContact CZ3-CB 4.19Å; W204-M208 HydrophobicContact CZ3-CG 3.6Å; W204-M208 PolarHBondContact O-N 2.8Å; L205-M208 PolarHBondContact O-N 3.22Å; M208-A210 PolarHBondContact O-N 3.29Å; M208-I211 WeakPolarHBondContact O-CB 3.25Å; M208-I211 PolarHBondContact O-N 2.98Å; M208-I212 WeakPolarHBondContact O-CG1 3.49Å; M208-I212 PolarHBondContact O-N 3.18Å; M208-L235 HydrophobicContact CB-CD1 4.41Å; M208-L235 HydrophobicContact CE-CD1 4.28Å; M208-L235 HydrophobicContact CE-CD2 4.47Å |
| 209 | W | 89.6 | Confident | 86.6 | Confident | 79 Ų | 79 | 62.7 Ų | 62.7 | 30% | 0.299 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.1 | -41.8 | 176.6 | 168.2 | 50.6 | 0 | 0 | 0 | 112.8 | L205 D207 I211 I212 S213 F250 V253 | L205-W209 VanDerWaalsContact O-CB 3.23Å; L205-W209 WeakPolarHBondContact O-CB 3.34Å; L205-W209 PolarHBondContact O-N 3.35Å; D207-W209 VanDerWaalsContact C-N 3.28Å; D207-W209 PolarHBondContact O-N 2.97Å; W209-I211 VanDerWaalsContact C-N 3.27Å; W209-I211 PolarHBondContact O-N 3.27Å; W209-I212 PolarHBondContact O-N 3.41Å; W209-S213 PolarHBondContact NE1-OG 3Å; W209-S213 VanDerWaalsContact NE1-OG 3.08Å; W209-S213 VanDerWaalsContact O-CB 3.24Å; W209-S213 WeakPolarHBondContact O-CB 3.39Å; W209-S213 PolarHBondContact O-N 2.89Å; W209-S213 PolarHBondContact O-OG 3.47Å; W209-F250 HydrophobicContact CB-CD2 4.29Å; W209-V253 HydrophobicContact CZ2-CG2 3.74Å |
| 210 | A | 90.4 | Very high | 86.6 | Confident | 40 Ų | 40 | 64.2 Ų | 64.2 | 33% | 0.331 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K173 K206 D207 M208 S214 | K173-A210 HydrophobicContact CD-CB 4.24Å; K173-A210 HydrophobicContact CG-CB 4.25Å; K206-A210 PolarHBondContact O-N 3.33Å; K206-A210 VanDerWaalsContact O-N 3.09Å; D207-A210 WeakPolarHBondContact O-CB 3.38Å; D207-A210 PolarHBondContact O-N 3.49Å; M208-A210 PolarHBondContact O-N 3.29Å; A210-S214 WeakPolarHBondContact O-CB 3.43Å; A210-S214 PolarHBondContact O-N 2.89Å |
| 211 | I | 92.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -52.2 | 177.3 | -64.6 | 168.6 | 0 | 0 | 0 | 110.7 | V169 V172 K173 H179 L182 M183 D207 M208 W209 S213 S214 L215 | V169-I211 HydrophobicContact CG1-CD1 3.94Å; V172-I211 HydrophobicContact CB-CD1 4.37Å; V172-I211 HydrophobicContact CG1-CD1 4.02Å; K173-I211 HydrophobicContact CB-CD1 4.21Å; K173-I211 HydrophobicContact CB-CG1 4.27Å; H179-I211 HydrophobicContact CB-CG2 3.83Å; L182-I211 HydrophobicContact CD2-CD1 3.57Å; L182-I211 HydrophobicContact CD2-CG2 4.49Å; M183-I211 HydrophobicContact CE-CG2 3.86Å; M183-I211 HydrophobicContact CG-CG2 4.42Å; M183-I211 HydrophobicContact SD-CG2 4.4Å; D207-I211 WeakPolarHBondContact O-CG1 3.47Å; D207-I211 PolarHBondContact O-N 2.96Å; D207-I211 VanDerWaalsContact O-N 3.14Å; M208-I211 WeakPolarHBondContact O-CB 3.25Å; M208-I211 PolarHBondContact O-N 2.98Å; W209-I211 VanDerWaalsContact C-N 3.27Å; W209-I211 PolarHBondContact O-N 3.27Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.42Å; I211-S214 WeakPolarHBondContact O-CB 3.47Å; I211-S214 PolarHBondContact O-N 3.16Å; I211-S214 VanDerWaalsContact O-N 3.09Å; I211-S214 PolarHBondContact O-OG 3.07Å; I211-L215 HydrophobicContact CG2-CD1 4.4Å; I211-L215 PolarHBondContact O-N 3.33Å |
| 212 | I | 90.7 | Very high | 87 | Confident | 4 Ų | 4 | 65 Ų | 65 | 2% | 0.021 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.9 | -48.9 | 176.6 | -70.1 | 165.6 | 0 | 0 | 0 | 110.5 | M183 M208 W209 S214 L215 M216 L235 | M183-I212 HydrophobicContact SD-CG1 3.72Å; M208-I212 WeakPolarHBondContact O-CG1 3.49Å; M208-I212 PolarHBondContact O-N 3.18Å; W209-I212 PolarHBondContact O-N 3.41Å; I212-S214 PolarHBondContact O-N 3.46Å; I212-L215 PolarHBondContact O-N 2.84Å; I212-M216 HydrophobicContact CG2-CG 4.34Å; I212-M216 WeakPolarHBondContact O-CG 3.28Å; I212-M216 PolarHBondContact O-N 3.34Å; I212-L235 HydrophobicContact CD1-CD1 3.48Å; I212-L235 VanDerWaalsContact CD1-CD1 3.48Å |
| 213 | S | 87.9 | Confident | 87.1 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 10% | 0.098 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.7 | -33.9 | 179.4 | -66.2 | 0 | 0 | 0 | 0 | 112.8 | W209 I211 R217 | W209-S213 PolarHBondContact NE1-OG 3Å; W209-S213 VanDerWaalsContact NE1-OG 3.08Å; W209-S213 VanDerWaalsContact O-CB 3.24Å; W209-S213 WeakPolarHBondContact O-CB 3.39Å; W209-S213 PolarHBondContact O-N 2.89Å; W209-S213 PolarHBondContact O-OG 3.47Å; I211-S213 VanDerWaalsContact C-N 3.33Å; I211-S213 PolarHBondContact O-N 3.42Å; S213-R217 WeakPolarHBondContact O-CD 3.38Å; S213-R217 WeakPolarHBondContact O-CG 3.02Å; S213-R217 PolarHBondContact O-N 3.03Å |
| 214 | S | 88.7 | Confident | 87.2 | Confident | 43 Ų | 43 | 59.3 Ų | 59.3 | 30% | 0.301 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -68.1 | -36.9 | 176.8 | 78.9 | 0 | 0 | 0 | 0 | 112.4 | H179 A210 I211 I212 R217 | H179-S214 PolarHBondContact CE1-OG 3.33Å; H179-S214 PolarHBondContact ND1-OG 3.1Å; A210-S214 WeakPolarHBondContact O-CB 3.43Å; A210-S214 PolarHBondContact O-N 2.89Å; I211-S214 WeakPolarHBondContact O-CB 3.47Å; I211-S214 PolarHBondContact O-N 3.16Å; I211-S214 VanDerWaalsContact O-N 3.09Å; I211-S214 PolarHBondContact O-OG 3.07Å; I212-S214 PolarHBondContact O-N 3.46Å; S214-R217 PolarHBondContact O-N 2.87Å |
| 215 | L | 87.7 | Confident | 87.1 | Confident | 14 Ų | 14 | 61.1 Ų | 61.1 | 7% | 0.073 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -78.9 | -25.6 | -179.1 | -67.3 | 169.5 | 0 | 0 | 0 | 112.6 | H179 M183 I211 I212 R217 V220 | H179-L215 HydrophobicContact CB-CD1 4.28Å; H179-L215 HydrophobicContact CB-CD2 4.22Å; H179-L215 HydrophobicContact CB-CG 4.31Å; M183-L215 HydrophobicContact CB-CD1 4.04Å; M183-L215 HydrophobicContact CG-CD1 3.18Å; M183-L215 HydrophobicContact SD-CD1 4.47Å; I211-L215 HydrophobicContact CG2-CD1 4.4Å; I211-L215 PolarHBondContact O-N 3.33Å; I212-L215 PolarHBondContact O-N 2.84Å; L215-R217 VanDerWaalsContact C-N 3.26Å; L215-R217 PolarHBondContact O-N 2.99Å; L215-V220 HydrophobicContact CD2-CG1 4.37Å; L215-V220 WeakPolarHBondContact O-CG2 3.18Å |
| 216 | M | 83.2 | Confident | 87.2 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 20% | 0.197 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -9.9 | 171.3 | -63.2 | -52.9 | -54.1 | 0 | 0 | 113.3 | I212 R225 A228 T257 E261 | I212-M216 HydrophobicContact CG2-CG 4.34Å; I212-M216 WeakPolarHBondContact O-CG 3.28Å; I212-M216 PolarHBondContact O-N 3.34Å; M216-R225 HydrophobicContact SD-CB 4.47Å; M216-A228 HydrophobicContact SD-CB 3.95Å; M216-T257 HydrophobicContact CE-CG2 3.71Å; M216-T257 HydrophobicContact CG-CG2 3.82Å; M216-T257 HydrophobicContact SD-CG2 3.82Å; M216-E261 WeakPolarHBondContact CE-OE2 3.29Å |
| 217 | R | 78.7 | Confident | 87.2 | Confident | 188 Ų | 188 | 57.4 Ų | 57.4 | 71% | 0.709 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -102.8 | 129.1 | 180 | -72 | 171.3 | -172.7 | -176.9 | 4.8 | 111 | S213 S214 L215 | S213-R217 WeakPolarHBondContact O-CD 3.38Å; S213-R217 WeakPolarHBondContact O-CG 3.02Å; S213-R217 PolarHBondContact O-N 3.03Å; S214-R217 PolarHBondContact O-N 2.87Å; L215-R217 VanDerWaalsContact C-N 3.26Å; L215-R217 PolarHBondContact O-N 2.99Å |
| 218 | G | 68.7 | Low | 87.1 | Confident | 74 Ų | 74 | 56.3 Ų | 56.3 | 76% | 0.763 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 93.2 | -155.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | V220 | G218-V220 PolarHBondContact O-N 3.45Š|
| 219 | R | 76.7 | Confident | 87.1 | Confident | 258 Ų | 258 | 56.3 Ų | 56.3 | 97% | 0.974 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -96.3 | 61.1 | -174.2 | -63.8 | -176.6 | -178.6 | -177.5 | -0.1 | 110.9 | ||
| 220 | V | 82 | Confident | 87.3 | Confident | 41 Ų | 41 | 52.8 Ų | 52.8 | 25% | 0.248 | 26% | 0.262 | C | S | . | . | trans | -84.1 | 153.4 | 174.6 | -174.6 | 0 | 0 | 0 | 0 | 109.1 | L215 G218 L224 | L215-V220 HydrophobicContact CD2-CG1 4.37Å; L215-V220 WeakPolarHBondContact O-CG2 3.18Å; G218-V220 PolarHBondContact O-N 3.45Å; V220-L224 HydrophobicContact CG1-CB 3.62Å; V220-L224 HydrophobicContact CG1-CD1 3.67Å; V220-L224 HydrophobicContact CG1-CG 4.3Å | ||
| 221 | K | 87.1 | Confident | 87.4 | Confident | 153 Ų | 153 | 50.9 Ų | 50.9 | 67% | 0.665 | 25% | 0.246 | S | C | * | . | trans | -60.4 | 148.2 | 173.7 | -66.2 | -176.1 | -179.9 | 177.6 | 0 | 110.8 | E223 L224 R225 | K221-E223 VanDerWaalsContact C-N 3.3Å; K221-E223 WeakPolarHBondContact CB-OE2 3.27Å; K221-E223 PolarHBondContact O-N 2.98Å; K221-L224 HydrophobicContact CB-CD1 4.43Å; K221-L224 PolarHBondContact O-N 3.21Å; K221-R225 PolarHBondContact O-N 3.36Å | ||
| 222 | D | 89.2 | Confident | 87.4 | Confident | 30 Ų | 30 | 51 Ų | 51 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | -177.7 | -63.1 | -23.8 | 0 | 0 | 0 | 111.2 | L224 R225 W226 Y264 R272 | D222-L224 VanDerWaalsContact C-N 3.28Å; D222-L224 PolarHBondContact O-N 3.07Å; D222-R225 WeakPolarHBondContact O-CB 3.35Å; D222-R225 PolarHBondContact O-N 3.13Å; D222-W226 HydrophobicContact CB-CH2 4.28Å; D222-W226 HydrophobicContact CB-CZ2 3.61Å; D222-W226 PolarHBondContact O-N 3.11Å; D222-W226 PolarHBondContact O-NE1 3Å; D222-Y264 VanDerWaalsContact CG-OH 3.25Å; D222-Y264 PolarHBondContact OD1-OH 3.2Å; D222-Y264 PolarHBondContact OD2-OH 3.45Å; D222-R272 IonicContact OD2-CZ 3.7Å; D222-R272 IonicContact OD2-NH1 3.45Å; D222-R272 IonicContact OD2-NH2 3.62Å; D222-R272 PolarHBondContact OD2-NH2 3.5Å |
| 223 | E | 89.1 | Confident | 87.4 | Confident | 95 Ų | 95 | 51.7 Ų | 51.7 | 44% | 0.444 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.9 | -38 | -178.2 | -58.2 | 84.4 | 174.9 | 0 | 0 | 112.3 | K221 W226 D227 | K221-E223 VanDerWaalsContact C-N 3.3Å; K221-E223 WeakPolarHBondContact CB-OE2 3.27Å; K221-E223 PolarHBondContact O-N 2.98Å; E223-W226 HydrophobicContact CB-CE3 4.46Å; E223-W226 HydrophobicContact CG-CE3 4.31Å; E223-W226 HydrophobicContact CG-CZ3 4.13Å; E223-W226 WeakPolarHBondContact O-CB 3.22Å; E223-W226 PolarHBondContact O-N 3.25Å; E223-D227 PolarHBondContact O-N 3.14Å |
| 224 | L | 89.8 | Confident | 87.5 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.7 | -32.1 | 177.4 | -70.6 | 176.1 | 0 | 0 | 0 | 112.7 | E184 V220 K221 D222 W226 A228 | E184-L224 HydrophobicContact CG-CD2 3.88Å; E184-L224 VanDerWaalsContact OE1-CD2 3.26Å; E184-L224 WeakPolarHBondContact OE1-CD2 3.15Å; V220-L224 HydrophobicContact CG1-CB 3.62Å; V220-L224 HydrophobicContact CG1-CD1 3.67Å; V220-L224 HydrophobicContact CG1-CG 4.3Å; K221-L224 HydrophobicContact CB-CD1 4.43Å; K221-L224 PolarHBondContact O-N 3.21Å; D222-L224 VanDerWaalsContact C-N 3.28Å; D222-L224 PolarHBondContact O-N 3.07Å; L224-W226 VanDerWaalsContact C-N 3.31Å; L224-A228 WeakPolarHBondContact O-CB 3.43Å; L224-A228 PolarHBondContact O-N 3.23Å |
| 225 | R | 89.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 50.2 Ų | 50.2 | 15% | 0.151 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -37.7 | 172.3 | -66.7 | 173.1 | 58.4 | -163 | -0.8 | 110.3 | M216 K221 D222 A228 I229 E261 | M216-R225 HydrophobicContact SD-CB 4.47Å; K221-R225 PolarHBondContact O-N 3.36Å; D222-R225 WeakPolarHBondContact O-CB 3.35Å; D222-R225 PolarHBondContact O-N 3.13Å; R225-A228 WeakPolarHBondContact O-CB 3.49Å; R225-A228 PolarHBondContact O-N 2.66Å; R225-I229 PolarHBondContact O-N 3.41Å; R225-E261 IonicContact CZ-OE1 3.56Å; R225-E261 IonicContact CZ-OE2 3.96Å; R225-E261 VanDerWaalsContact CZ-OE2 3.29Å; R225-E261 IonicContact NE-OE2 3.57Å; R225-E261 PolarHBondContact NE-OE2 3.13Å; R225-E261 IonicContact NH2-OE1 2.64Å; R225-E261 IonicContact NH2-OE2 3.7Å; R225-E261 PolarHBondContact NH2-OE2 3.43Å |
| 226 | W | 91.5 | Very high | 87.7 | Confident | 17 Ų | 17 | 49.6 Ų | 49.6 | 6% | 0.064 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -43.1 | 175.8 | -54.6 | -16.1 | 0 | 0 | 0 | 111.7 | D222 E223 L224 A228 I229 I230 L268 E277 L278 P281 | D222-W226 HydrophobicContact CB-CH2 4.28Å; D222-W226 HydrophobicContact CB-CZ2 3.61Å; D222-W226 PolarHBondContact O-N 3.11Å; D222-W226 PolarHBondContact O-NE1 3Å; E223-W226 HydrophobicContact CB-CE3 4.46Å; E223-W226 HydrophobicContact CG-CE3 4.31Å; E223-W226 HydrophobicContact CG-CZ3 4.13Å; E223-W226 WeakPolarHBondContact O-CB 3.22Å; E223-W226 PolarHBondContact O-N 3.25Å; L224-W226 VanDerWaalsContact C-N 3.31Å; W226-A228 VanDerWaalsContact C-N 3.29Å; W226-A228 PolarHBondContact O-N 3.49Å; W226-I229 WeakPolarHBondContact O-CG2 3.41Å; W226-I229 PolarHBondContact O-N 3.36Å; W226-I230 WeakPolarHBondContact O-CB 3.27Å; W226-I230 WeakPolarHBondContact O-CD1 3.33Å; W226-I230 WeakPolarHBondContact O-CG1 3.19Å; W226-I230 PolarHBondContact O-N 3.42Å; W226-L268 HydrophobicContact CH2-CD2 4.5Å; W226-L268 HydrophobicContact CZ2-CD2 3.66Å; W226-E277 HydrophobicContact CZ3-CB 4.24Å; W226-L278 HydrophobicContact CH2-CD2 3.52Å; W226-L278 HydrophobicContact CZ2-CD2 3.31Å; W226-L278 HydrophobicContact CZ3-CD2 4.21Å; W226-P281 HydrophobicContact CB-CB 3.88Å; W226-P281 HydrophobicContact CB-CG 3.98Å; W226-P281 HydrophobicContact CD2-CG 4.29Å; W226-P281 HydrophobicContact CG-CB 4.08Å; W226-P281 HydrophobicContact CG-CG 3.91Å |
| 227 | D | 92.3 | Very high | 87.9 | Confident | 30 Ų | 30 | 50.1 Ų | 50.1 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -36.2 | 173.6 | -77.1 | -42.5 | 0 | 0 | 0 | 112.4 | M183 S187 E223 S231 | M183-D227 HydrophobicContact CB-CB 4.47Å; S187-D227 VanDerWaalsContact CB-OD1 3.3Å; S187-D227 WeakPolarHBondContact CB-OD1 3.45Å; S187-D227 PolarHBondContact OG-OD1 3.38Å; E223-D227 PolarHBondContact O-N 3.14Å; D227-S231 VanDerWaalsContact O-CB 3.24Å; D227-S231 WeakPolarHBondContact O-CB 3.42Å; D227-S231 PolarHBondContact O-N 3.18Å; D227-S231 PolarHBondContact O-OG 3.31Å |
| 228 | A | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.9 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | M216 L224 R225 W226 S231 T232 | M216-A228 HydrophobicContact SD-CB 3.95Å; L224-A228 WeakPolarHBondContact O-CB 3.43Å; L224-A228 PolarHBondContact O-N 3.23Å; R225-A228 WeakPolarHBondContact O-CB 3.49Å; R225-A228 PolarHBondContact O-N 2.66Å; W226-A228 VanDerWaalsContact C-N 3.29Å; W226-A228 PolarHBondContact O-N 3.49Å; A228-S231 PolarHBondContact O-N 3.19Å; A228-T232 WeakPolarHBondContact O-CB 3.29Å; A228-T232 PolarHBondContact O-N 3.45Å; A228-T232 PolarHBondContact O-OG1 3.49Å |
| 229 | I | 92.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 176.9 | -172 | 66.5 | 0 | 0 | 0 | 111.9 | R225 W226 S231 T232 E233 T257 A258 E261 P281 S285 L288 | R225-I229 PolarHBondContact O-N 3.41Å; W226-I229 WeakPolarHBondContact O-CG2 3.41Å; W226-I229 PolarHBondContact O-N 3.36Å; I229-S231 VanDerWaalsContact C-N 3.33Å; I229-S231 PolarHBondContact O-N 3.05Å; I229-T232 WeakPolarHBondContact O-CB 3.4Å; I229-T232 PolarHBondContact O-N 3.29Å; I229-E233 PolarHBondContact O-N 3.31Å; I229-T257 HydrophobicContact CD1-CG2 4.14Å; I229-A258 HydrophobicContact CD1-CB 3.87Å; I229-E261 HydrophobicContact CB-CG 4.35Å; I229-E261 HydrophobicContact CG2-CG 4.22Å; I229-P281 HydrophobicContact CG2-CB 3.7Å; I229-S285 WeakPolarHBondContact CG1-OG 3.35Å; I229-L288 HydrophobicContact CD1-CD1 3.56Å; I229-L288 HydrophobicContact CG1-CD1 4.36Å |
| 230 | I | 92.7 | Very high | 89.6 | Confident | 6 Ų | 6 | 26.9 Ų | 26.9 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 174.6 | -67.9 | 163.1 | 0 | 0 | 0 | 110.1 | Q191 W226 T232 E233 F234 L280 C284 | Q191-I230 HydrophobicContact CG-CG2 4.35Å; W226-I230 WeakPolarHBondContact O-CB 3.27Å; W226-I230 WeakPolarHBondContact O-CD1 3.33Å; W226-I230 WeakPolarHBondContact O-CG1 3.19Å; W226-I230 PolarHBondContact O-N 3.42Å; I230-T232 VanDerWaalsContact C-N 3.33Å; I230-T232 PolarHBondContact O-N 3.28Å; I230-E233 PolarHBondContact O-N 3.22Å; I230-F234 HydrophobicContact CG2-CD2 3.95Å; I230-F234 HydrophobicContact CG2-CE2 3.36Å; I230-F234 HydrophobicContact CG2-CZ 3.92Å; I230-F234 WeakPolarHBondContact O-CD2 3.22Å; I230-F234 PolarHBondContact O-N 2.72Å; I230-F234 VanDerWaalsContact O-N 3.09Å; I230-L280 HydrophobicContact CD1-CD2 3.58Å; I230-L280 HydrophobicContact CD1-CG 3.77Å; I230-L280 HydrophobicContact CG1-CD2 4.19Å; I230-L280 HydrophobicContact CG1-CG 3.99Å; I230-C284 HydrophobicContact CG1-CB 4.46Å |
| 231 | S | 92.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -63.4 | -39.2 | 177.1 | -60.4 | 0 | 0 | 0 | 0 | 112.1 | D227 A228 I229 E233 F234 L235 | D227-S231 VanDerWaalsContact O-CB 3.24Å; D227-S231 WeakPolarHBondContact O-CB 3.42Å; D227-S231 PolarHBondContact O-N 3.18Å; D227-S231 PolarHBondContact O-OG 3.31Å; A228-S231 PolarHBondContact O-N 3.19Å; I229-S231 VanDerWaalsContact C-N 3.33Å; I229-S231 PolarHBondContact O-N 3.05Å; S231-E233 VanDerWaalsContact C-N 3.33Å; S231-E233 PolarHBondContact O-N 3.33Å; S231-F234 PolarHBondContact O-N 3.4Å; S231-L235 VanDerWaalsContact O-CG 3.28Å; S231-L235 WeakPolarHBondContact O-CG 3.41Å; S231-L235 PolarHBondContact O-N 3.31Å |
| 232 | T | 92.3 | Very high | 89.5 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.012 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 176.5 | -59.1 | 0 | 0 | 0 | 0 | 111.4 | A228 I229 I230 L235 V236 A254 L288 | A228-T232 WeakPolarHBondContact O-CB 3.29Å; A228-T232 PolarHBondContact O-N 3.45Å; A228-T232 PolarHBondContact O-OG1 3.49Å; I229-T232 WeakPolarHBondContact O-CB 3.4Å; I229-T232 PolarHBondContact O-N 3.29Å; I230-T232 VanDerWaalsContact C-N 3.33Å; I230-T232 PolarHBondContact O-N 3.28Å; T232-L235 PolarHBondContact O-N 2.64Å; T232-V236 WeakPolarHBondContact O-CG2 3.48Å; T232-V236 PolarHBondContact O-N 3.47Å; T232-A254 HydrophobicContact CG2-CB 3.43Å; T232-A254 VanDerWaalsContact CG2-CB 3.43Å; T232-L288 HydrophobicContact CG2-CD1 3.88Å; T232-L288 HydrophobicContact CG2-CD2 4.45Å |
| 233 | E | 91.3 | Very high | 89.3 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 8% | 0.084 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 176.2 | -165.5 | -83 | 174.5 | 0 | 0 | 111.6 | I229 I230 S231 L235 V236 N237 C284 L287 L288 | I229-E233 PolarHBondContact O-N 3.31Å; I230-E233 PolarHBondContact O-N 3.22Å; S231-E233 VanDerWaalsContact C-N 3.33Å; S231-E233 PolarHBondContact O-N 3.33Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.1Å; E233-V236 PolarHBondContact O-N 2.8Å; E233-N237 PolarHBondContact O-N 3.45Å; E233-N237 PolarHBondContact OE1-ND2 3.5Å; E233-N237 PolarHBondContact OE2-ND2 3.44Å; E233-C284 HydrophobicContact CB-CB 3.85Å; E233-C284 HydrophobicContact CG-CB 4.04Å; E233-L287 HydrophobicContact CG-CB 4.41Å; E233-L288 HydrophobicContact CB-CD1 4.06Å; E233-L288 HydrophobicContact CB-CD2 4.44Å; E233-L288 HydrophobicContact CB-CG 4.07Å; E233-L288 HydrophobicContact CG-CG 4.13Å |
| 234 | F | 90.3 | Very high | 89.1 | Confident | 26 Ų | 26 | 24.3 Ų | 24.3 | 11% | 0.114 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 174.7 | -68.8 | -39.3 | 0 | 0 | 0 | 112.3 | F186 G190 Q191 I230 S231 N237 M238 | F186-F234 HydrophobicContact CE1-CB 3.94Å; G190-F234 VanDerWaalsContact C-CZ 3.44Å; Q191-F234 HydrophobicContact CB-CZ 4.27Å; Q191-F234 HydrophobicContact CG-CE2 3.88Å; Q191-F234 HydrophobicContact CG-CZ 3.64Å; I230-F234 HydrophobicContact CG2-CD2 3.95Å; I230-F234 HydrophobicContact CG2-CE2 3.36Å; I230-F234 HydrophobicContact CG2-CZ 3.92Å; I230-F234 WeakPolarHBondContact O-CD2 3.22Å; I230-F234 PolarHBondContact O-N 2.72Å; I230-F234 VanDerWaalsContact O-N 3.09Å; S231-F234 PolarHBondContact O-N 3.4Å; F234-N237 CarbonylContact O-C 3.35Å; F234-N237 PolarHBondContact O-N 3.19Å; F234-M238 WeakPolarHBondContact O-CG 3.38Å; F234-M238 PolarHBondContact O-N 2.74Å |
| 235 | L | 90.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 176.7 | -72.4 | 173.2 | 0 | 0 | 0 | 111.5 | F186 W204 L205 M208 I212 S231 T232 E233 N237 M238 F239 F250 | F186-L235 HydrophobicContact CE1-CD2 4.25Å; F186-L235 HydrophobicContact CE1-CG 4.15Å; F186-L235 HydrophobicContact CE2-CD2 4.3Å; F186-L235 HydrophobicContact CZ-CD2 3.59Å; F186-L235 HydrophobicContact CZ-CG 4Å; W204-L235 HydrophobicContact CH2-CD2 3.44Å; W204-L235 VanDerWaalsContact CH2-CD2 3.44Å; W204-L235 HydrophobicContact CZ3-CD2 3.41Å; W204-L235 VanDerWaalsContact CZ3-CD2 3.41Å; L205-L235 HydrophobicContact CD1-CD1 4.35Å; L205-L235 HydrophobicContact CD1-CD2 4.32Å; M208-L235 HydrophobicContact CB-CD1 4.41Å; M208-L235 HydrophobicContact CE-CD1 4.28Å; M208-L235 HydrophobicContact CE-CD2 4.47Å; I212-L235 HydrophobicContact CD1-CD1 3.48Å; I212-L235 VanDerWaalsContact CD1-CD1 3.48Å; S231-L235 VanDerWaalsContact O-CG 3.28Å; S231-L235 WeakPolarHBondContact O-CG 3.41Å; S231-L235 PolarHBondContact O-N 3.31Å; T232-L235 PolarHBondContact O-N 2.64Å; E233-L235 VanDerWaalsContact C-N 3.32Å; E233-L235 PolarHBondContact O-N 3.1Å; L235-N237 VanDerWaalsContact C-N 3.26Å; L235-N237 PolarHBondContact O-N 3.23Å; L235-M238 HydrophobicContact CD2-SD 4.39Å; L235-M238 WeakPolarHBondContact O-CB 3.38Å; L235-M238 PolarHBondContact O-N 3.44Å; L235-M238 VanDerWaalsContact O-N 3.09Å; L235-F239 WeakPolarHBondContact O-CD2 3.4Å; L235-F239 WeakPolarHBondContact O-CE2 3.49Å; L235-F250 HydrophobicContact CB-CE2 4.35Å; L235-F250 HydrophobicContact CB-CZ 3.66Å; L235-F250 HydrophobicContact CD1-CE2 4.07Å; L235-F250 HydrophobicContact CD1-CZ 4.22Å |
| 236 | V | 89 | Confident | 88.2 | Confident | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | T232 E233 M238 F239 L244 F250 A254 L288 | T232-V236 WeakPolarHBondContact O-CG2 3.48Å; T232-V236 PolarHBondContact O-N 3.47Å; E233-V236 PolarHBondContact O-N 2.8Å; V236-M238 VanDerWaalsContact C-N 3.31Å; V236-M238 PolarHBondContact O-N 3.13Å; V236-F239 PolarHBondContact O-N 3.31Å; V236-L244 HydrophobicContact CG1-CD1 3.92Å; V236-F250 HydrophobicContact CG2-CE1 3.79Å; V236-F250 HydrophobicContact CG2-CZ 4.06Å; V236-A254 HydrophobicContact CG2-CB 4.22Å; V236-L288 HydrophobicContact CB-CD2 3.79Å; V236-L288 HydrophobicContact CG1-CD2 4.14Å; V236-L288 HydrophobicContact CG2-CD2 3.52Å |
| 237 | N | 87.3 | Confident | 87.8 | Confident | 51 Ų | 51 | 31.3 Ų | 31.3 | 27% | 0.273 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -70.8 | -21.6 | 177.1 | -76.1 | -27 | 0 | 0 | 0 | 114.6 | K198 E233 F234 L235 F239 | K198-N237 PolarHBondContact NZ-O 3.11Å; E233-N237 PolarHBondContact O-N 3.45Å; E233-N237 PolarHBondContact OE1-ND2 3.5Å; E233-N237 PolarHBondContact OE2-ND2 3.44Å; F234-N237 CarbonylContact O-C 3.35Å; F234-N237 PolarHBondContact O-N 3.19Å; L235-N237 VanDerWaalsContact C-N 3.26Å; L235-N237 PolarHBondContact O-N 3.23Å; N237-F239 VanDerWaalsContact C-N 3.32Å |
| 238 | M | 87.5 | Confident | 87.1 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -73.4 | -23.4 | 177.8 | -78.2 | 175.5 | 75 | 0 | 0 | 113.1 | L155 F156 F186 P195 K198 V199 W204 F234 L235 V236 | L155-M238 HydrophobicContact CD1-CE 4.06Å; L155-M238 HydrophobicContact CD2-CE 3.79Å; L155-M238 HydrophobicContact CG-CE 3.75Å; F156-M238 HydrophobicContact CE1-SD 4.1Å; F156-M238 HydrophobicContact CZ-SD 4.06Å; F186-M238 HydrophobicContact CZ-SD 3.97Å; P195-M238 HydrophobicContact CB-CG 3.7Å; P195-M238 HydrophobicContact CG-CG 3.92Å; K198-M238 CarbonylContact C-O 3.34Å; K198-M238 VanDerWaalsContact CA-O 3.32Å; K198-M238 WeakPolarHBondContact CA-O 3.48Å; V199-M238 HydrophobicContact CG2-CE 3.99Å; V199-M238 PolarHBondContact N-O 3.39Å; W204-M238 HydrophobicContact CH2-CE 4.4Å; W204-M238 HydrophobicContact CZ2-CE 4.44Å; F234-M238 WeakPolarHBondContact O-CG 3.38Å; F234-M238 PolarHBondContact O-N 2.74Å; L235-M238 HydrophobicContact CD2-SD 4.39Å; L235-M238 WeakPolarHBondContact O-CB 3.38Å; L235-M238 PolarHBondContact O-N 3.44Å; L235-M238 VanDerWaalsContact O-N 3.09Å; V236-M238 VanDerWaalsContact C-N 3.31Å; V236-M238 PolarHBondContact O-N 3.13Å |
| 239 | F | 87.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.009 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -101.9 | 152 | -176.4 | -61.9 | -72 | 0 | 0 | 0 | 111.8 | K198 V199 T202 W204 L205 L235 V236 N237 V243 L244 | K198-F239 WeakPolarHBondContact CD-O 3.33Å; K198-F239 WeakPolarHBondContact CE-O 3.36Å; K198-F239 PolarHBondContact NZ-O 3.01Å; V199-F239 HydrophobicContact CB-CD1 4.16Å; V199-F239 HydrophobicContact CB-CE1 3.93Å; V199-F239 HydrophobicContact CG1-CE1 3.96Å; V199-F239 VanDerWaalsContact O-CD1 3.23Å; V199-F239 WeakPolarHBondContact O-CD1 3.44Å; T202-F239 HydrophobicContact CG2-CD1 4.15Å; T202-F239 HydrophobicContact CG2-CE1 3.88Å; W204-F239 HydrophobicContact CH2-CE2 4.31Å; W204-F239 AromaticContact CH2-CZ 3.83Å; W204-F239 HydrophobicContact CH2-CZ 3.83Å; W204-F239 HydrophobicContact CZ2-CE1 4.45Å; W204-F239 AromaticContact CZ2-CZ 3.71Å; W204-F239 HydrophobicContact CZ2-CZ 3.71Å; L205-F239 HydrophobicContact CD1-CE2 3.78Å; L205-F239 HydrophobicContact CD1-CZ 4.21Å; L205-F239 HydrophobicContact CD2-CD2 4.45Å; L205-F239 HydrophobicContact CD2-CE2 3.94Å; L205-F239 HydrophobicContact CD2-CZ 4.2Å; L205-F239 HydrophobicContact CG-CE2 4.41Å; L235-F239 WeakPolarHBondContact O-CD2 3.4Å; L235-F239 WeakPolarHBondContact O-CE2 3.49Å; V236-F239 PolarHBondContact O-N 3.31Å; N237-F239 VanDerWaalsContact C-N 3.32Å; F239-V243 HydrophobicContact CB-CB 4.25Å; F239-V243 HydrophobicContact CB-CG1 4.09Å; F239-V243 HydrophobicContact CD1-CG1 3.64Å; F239-V243 HydrophobicContact CE1-CG1 4.48Å; F239-V243 HydrophobicContact CG-CG1 4.11Å; F239-L244 HydrophobicContact CB-CD2 3.77Å; F239-L244 HydrophobicContact CB-CG 3.78Å; F239-L244 HydrophobicContact CD2-CD2 4.04Å; F239-L244 HydrophobicContact CG-CD2 4.27Å |
| 240 | S | 85.7 | Confident | 86.2 | Confident | 29 Ų | 29 | 36.8 Ų | 36.8 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | trans | -72 | 160.5 | 165.8 | 67.7 | 0 | 0 | 0 | 0 | 109.6 | D242 V243 L244 | S240-D242 VanDerWaalsContact C-N 3.35Å; S240-D242 PolarHBondContact O-N 3.43Å; S240-V243 PolarHBondContact O-N 2.9Å; S240-V243 VanDerWaalsContact O-N 3.13Å; S240-V243 VanDerWaalsContact OG-CG2 3.25Å; S240-V243 WeakPolarHBondContact OG-CG2 3.49Å; S240-V243 PolarHBondContact OG-N 3.37Å; S240-L244 PolarHBondContact O-N 2.86Å | ||
| 241 | R | 83.4 | Confident | 85.7 | Confident | 128 Ų | 128 | 36.8 Ų | 36.8 | 48% | 0.483 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -57.3 | -48.7 | 178.4 | -69.7 | 178.5 | 177 | -170.9 | -12.9 | 111.1 | V243 L244 M245 E294 M295 | R241-V243 PolarHBondContact O-N 3.39Å; R241-V243 VanDerWaalsContact O-N 3.08Å; R241-L244 PolarHBondContact O-N 3.28Å; R241-M245 WeakPolarHBondContact O-CB 3.07Å; R241-M245 WeakPolarHBondContact O-CG 3.42Å; R241-M245 PolarHBondContact O-N 3.13Å; R241-E294 IonicContact CZ-OE1 3.54Å; R241-E294 VanDerWaalsContact CZ-OE1 3.31Å; R241-E294 IonicContact CZ-OE2 3.47Å; R241-E294 VanDerWaalsContact NH1-CD 3.35Å; R241-E294 IonicContact NH1-OE1 3.87Å; R241-E294 PolarHBondContact NH1-OE1 3.24Å; R241-E294 IonicContact NH1-OE2 3.57Å; R241-E294 VanDerWaalsContact NH2-CD 3.34Å; R241-E294 IonicContact NH2-OE1 4Å; R241-E294 PolarHBondContact NH2-OE1 2.83Å; R241-E294 IonicContact NH2-OE2 3.92Å; R241-E294 PolarHBondContact NH2-OE2 3.04Å; R241-M295 HydrophobicContact CB-SD 4.37Å; R241-M295 HydrophobicContact CG-SD 4.26Å |
| 242 | D | 83.3 | Confident | 85 | Confident | 118 Ų | 118 | 38.2 Ų | 38.2 | 63% | 0.631 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -56.4 | -28.9 | 178.2 | -57.2 | -4.7 | 0 | 0 | 0 | 113.9 | S240 K246 | S240-D242 VanDerWaalsContact C-N 3.35Å; S240-D242 PolarHBondContact O-N 3.43Å; D242-K246 WeakPolarHBondContact O-CG 3.05Å |
| 243 | V | 85.1 | Confident | 84.6 | Confident | 14 Ų | 14 | 39.7 Ų | 39.7 | 9% | 0.085 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -79.7 | -45.6 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | T202 F239 S240 R241 M245 K246 E247 | T202-V243 HydrophobicContact CG2-CG1 3.28Å; F239-V243 HydrophobicContact CB-CB 4.25Å; F239-V243 HydrophobicContact CB-CG1 4.09Å; F239-V243 HydrophobicContact CD1-CG1 3.64Å; F239-V243 HydrophobicContact CE1-CG1 4.48Å; F239-V243 HydrophobicContact CG-CG1 4.11Å; S240-V243 PolarHBondContact O-N 2.9Å; S240-V243 VanDerWaalsContact O-N 3.13Å; S240-V243 VanDerWaalsContact OG-CG2 3.25Å; S240-V243 WeakPolarHBondContact OG-CG2 3.49Å; S240-V243 PolarHBondContact OG-N 3.37Å; R241-V243 PolarHBondContact O-N 3.39Å; R241-V243 VanDerWaalsContact O-N 3.08Å; V243-M245 PolarHBondContact O-N 3.05Å; V243-K246 PolarHBondContact O-N 3.39Å; V243-E247 PolarHBondContact O-N 3.42Å |
| 244 | L | 83.9 | Confident | 84.4 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -58.8 | -38.2 | 174.7 | -68.1 | 172.4 | 0 | 0 | 0 | 112 | V236 F239 S240 R241 K246 E247 F250 M295 | V236-L244 HydrophobicContact CG1-CD1 3.92Å; F239-L244 HydrophobicContact CB-CD2 3.77Å; F239-L244 HydrophobicContact CB-CG 3.78Å; F239-L244 HydrophobicContact CD2-CD2 4.04Å; F239-L244 HydrophobicContact CG-CD2 4.27Å; S240-L244 PolarHBondContact O-N 2.86Å; R241-L244 PolarHBondContact O-N 3.28Å; L244-K246 PolarHBondContact O-N 3.18Å; L244-E247 CarbonylContact O-C 3.54Å; L244-E247 VanDerWaalsContact O-C 3.25Å; L244-E247 PolarHBondContact O-N 2.85Å; L244-F250 HydrophobicContact CD2-CD1 4.18Å; L244-F250 HydrophobicContact CD2-CE1 4Å; L244-M295 HydrophobicContact CB-CE 3.68Å; L244-M295 HydrophobicContact CD1-CE 4.47Å |
| 245 | M | 79.1 | Confident | 84.2 | Confident | 21 Ų | 21 | 38 Ų | 38 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.3 | 175.3 | -72.4 | -61.9 | -64.8 | 0 | 0 | 113.3 | R241 V243 T248 M295 L298 L299 D302 | R241-M245 WeakPolarHBondContact O-CB 3.07Å; R241-M245 WeakPolarHBondContact O-CG 3.42Å; R241-M245 PolarHBondContact O-N 3.13Å; V243-M245 PolarHBondContact O-N 3.05Å; M245-T248 WeakPolarHBondContact O-CG2 3.47Å; M245-M295 HydrophobicContact CG-CE 3.78Å; M245-M295 HydrophobicContact SD-CE 3.45Å; M245-M295 WeakPolarHBondContact SD-CE 3.47Å; M245-M295 HydrophobicContact SD-SD 4.18Å; M245-L298 VanDerWaalsContact CE-C 3.45Å; M245-L298 HydrophobicContact CE-CB 3.67Å; M245-L298 HydrophobicContact SD-CB 3.86Å; M245-L299 HydrophobicContact CE-CB 4.22Å; M245-L299 HydrophobicContact CE-CD2 3.38Å; M245-L299 HydrophobicContact CE-CG 3.66Å; M245-L299 HydrophobicContact SD-CD2 3.65Å; M245-L299 HydrophobicContact SD-CG 3.68Å; M245-D302 HydrophobicContact CE-CB 4.44Å |
| 246 | K | 81.5 | Confident | 83.9 | Confident | 169 Ų | 169 | 40 Ų | 40 | 74% | 0.735 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -17.8 | 174.8 | -67.9 | 171.6 | -173 | 172 | 0 | 112.8 | D242 V243 L244 | D242-K246 WeakPolarHBondContact O-CG 3.05Å; V243-K246 PolarHBondContact O-N 3.39Å; L244-K246 PolarHBondContact O-N 3.18Å |
| 247 | E | 84.7 | Confident | 83.8 | Confident | 36 Ų | 36 | 40.6 Ų | 40.6 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | trans | -109.4 | 49.7 | 179.2 | -60.9 | -67.2 | 168.1 | 0 | 0 | 110.1 | T202 L205 V243 L244 D249 F250 Y251 | T202-E247 VanDerWaalsContact CB-OE1 3.3Å; T202-E247 WeakPolarHBondContact CB-OE1 3.44Å; T202-E247 HydrophobicContact CG2-CG 3.99Å; T202-E247 PolarHBondContact OG1-OE1 2.77Å; L205-E247 HydrophobicContact CD2-CB 4.04Å; L205-E247 HydrophobicContact CD2-CG 4.02Å; V243-E247 PolarHBondContact O-N 3.42Å; L244-E247 CarbonylContact O-C 3.54Å; L244-E247 VanDerWaalsContact O-C 3.25Å; L244-E247 PolarHBondContact O-N 2.85Å; E247-D249 VanDerWaalsContact C-N 3.28Å; E247-D249 PolarHBondContact O-N 2.72Å; E247-F250 HydrophobicContact CB-CB 4.38Å; E247-F250 WeakPolarHBondContact O-CB 3.14Å; E247-F250 PolarHBondContact O-N 3.21Å; E247-Y251 PolarHBondContact O-N 3.39Å | ||
| 248 | T | 77.1 | Confident | 84 | Confident | 36 Ų | 36 | 38.1 Ų | 38.1 | 22% | 0.221 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -52.9 | -42.8 | -173.2 | 59 | 0 | 0 | 0 | 0 | 112.9 | M245 F250 Y251 V252 L299 F306 | M245-T248 WeakPolarHBondContact O-CG2 3.47Å; T248-F250 VanDerWaalsContact C-N 3.31Å; T248-F250 PolarHBondContact O-N 2.76Å; T248-Y251 WeakPolarHBondContact O-CB 3.46Å; T248-Y251 PolarHBondContact O-N 3.47Å; T248-Y251 VanDerWaalsContact O-N 3.1Å; T248-V252 VanDerWaalsContact O-CG2 3.25Å; T248-V252 WeakPolarHBondContact O-CG2 3.48Å; T248-V252 PolarHBondContact O-N 2.92Å; T248-L299 HydrophobicContact CG2-CD2 3.47Å; T248-L299 VanDerWaalsContact CG2-CD2 3.47Å; T248-F306 HydrophobicContact CG2-CD2 4.47Å; T248-F306 HydrophobicContact CG2-CE2 3.81Å |
| 249 | D | 80.4 | Confident | 84 | Confident | 101 Ų | 101 | 38.1 Ų | 38.1 | 54% | 0.54 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.5 | -40.1 | 180 | -71.2 | -21.5 | 0 | 0 | 0 | 112.5 | E247 V253 | E247-D249 VanDerWaalsContact C-N 3.28Å; E247-D249 PolarHBondContact O-N 2.72Å; D249-V253 VanDerWaalsContact O-CG2 3.31Å; D249-V253 WeakPolarHBondContact O-CG2 3.27Å; D249-V253 PolarHBondContact O-N 3.2Å |
| 250 | F | 84.5 | Confident | 84 | Confident | 8 Ų | 8 | 42 Ų | 42 | 4% | 0.035 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -46.2 | 175.4 | 165.1 | -102.8 | 0 | 0 | 0 | 110.2 | L205 W209 L235 V236 L244 E247 T248 V252 V253 A254 | L205-F250 HydrophobicContact CD1-CD1 4.34Å; L205-F250 HydrophobicContact CD1-CD2 3.83Å; L205-F250 HydrophobicContact CD1-CE1 4.27Å; L205-F250 HydrophobicContact CD1-CE2 3.76Å; L205-F250 HydrophobicContact CD1-CG 4.13Å; L205-F250 HydrophobicContact CD1-CZ 4Å; L205-F250 HydrophobicContact CD2-CB 4.11Å; L205-F250 HydrophobicContact CD2-CD1 3.81Å; L205-F250 HydrophobicContact CD2-CD2 4.34Å; L205-F250 HydrophobicContact CD2-CE1 4.35Å; L205-F250 HydrophobicContact CD2-CG 3.81Å; L205-F250 HydrophobicContact CG-CB 4.37Å; L205-F250 HydrophobicContact CG-CD1 4.36Å; L205-F250 HydrophobicContact CG-CD2 4.02Å; L205-F250 HydrophobicContact CG-CE2 4.45Å; L205-F250 HydrophobicContact CG-CG 3.97Å; W209-F250 HydrophobicContact CB-CD2 4.29Å; L235-F250 HydrophobicContact CB-CE2 4.35Å; L235-F250 HydrophobicContact CB-CZ 3.66Å; L235-F250 HydrophobicContact CD1-CE2 4.07Å; L235-F250 HydrophobicContact CD1-CZ 4.22Å; V236-F250 HydrophobicContact CG2-CE1 3.79Å; V236-F250 HydrophobicContact CG2-CZ 4.06Å; L244-F250 HydrophobicContact CD2-CD1 4.18Å; L244-F250 HydrophobicContact CD2-CE1 4Å; E247-F250 HydrophobicContact CB-CB 4.38Å; E247-F250 WeakPolarHBondContact O-CB 3.14Å; E247-F250 PolarHBondContact O-N 3.21Å; T248-F250 VanDerWaalsContact C-N 3.31Å; T248-F250 PolarHBondContact O-N 2.76Å; F250-V252 PolarHBondContact O-N 2.6Å; F250-V253 PolarHBondContact O-N 3.36Å; F250-A254 WeakPolarHBondContact O-CB 3.33Å; F250-A254 PolarHBondContact O-N 2.93Å |
| 251 | Y | 82.2 | Confident | 84.2 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.02 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.3 | -44.2 | -179.5 | -168.3 | -103.5 | 0 | 0 | 0 | 112.7 | E247 T248 V253 A254 F255 Q291 A292 M295 | E247-Y251 PolarHBondContact O-N 3.39Å; T248-Y251 WeakPolarHBondContact O-CB 3.46Å; T248-Y251 PolarHBondContact O-N 3.47Å; T248-Y251 VanDerWaalsContact O-N 3.1Å; Y251-V253 VanDerWaalsContact C-N 3.27Å; Y251-V253 PolarHBondContact O-N 3.12Å; Y251-A254 PolarHBondContact O-N 2.94Å; Y251-F255 WeakPolarHBondContact O-CB 3.47Å; Y251-F255 PolarHBondContact O-N 3.22Å; Y251-Q291 PolarHBondContact OH-O 3.02Å; Y251-Q291 VanDerWaalsContact OH-O 3.1Å; Y251-A292 WeakPolarHBondContact OH-CA 3.33Å; Y251-A292 PolarHBondContact OH-N 3.32Å; Y251-A292 VanDerWaalsContact OH-N 3.13Å; Y251-M295 HydrophobicContact CD1-CB 4.26Å; Y251-M295 HydrophobicContact CD2-CE 4.46Å; Y251-M295 HydrophobicContact CE1-CB 3.43Å; Y251-M295 VanDerWaalsContact CE1-CB 3.43Å; Y251-M295 HydrophobicContact CE1-CG 4.05Å; Y251-M295 HydrophobicContact CE2-CB 4.32Å; Y251-M295 HydrophobicContact CE2-CE 4.45Å; Y251-M295 HydrophobicContact CE2-CG 4Å; Y251-M295 VanDerWaalsContact CZ-CB 3.47Å; Y251-M295 WeakPolarHBondContact OH-CB 3.33Å; Y251-M295 WeakPolarHBondContact OH-CG 3.45Å |
| 252 | V | 79.2 | Confident | 84.5 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -55.9 | -43.6 | 175.9 | 168.7 | 0 | 0 | 0 | 0 | 111.3 | T248 F250 T256 L314 | T248-V252 VanDerWaalsContact O-CG2 3.25Å; T248-V252 WeakPolarHBondContact O-CG2 3.48Å; T248-V252 PolarHBondContact O-N 2.92Å; F250-V252 PolarHBondContact O-N 2.6Å; V252-T256 WeakPolarHBondContact O-CB 3.42Å; V252-T256 PolarHBondContact O-N 2.98Å; V252-T256 PolarHBondContact O-OG1 2.99Å; V252-L314 HydrophobicContact CB-CD1 4.37Å; V252-L314 HydrophobicContact CB-CD2 4.17Å; V252-L314 HydrophobicContact CG1-CD1 4.37Å; V252-L314 HydrophobicContact CG1-CD2 3.8Å; V252-L314 HydrophobicContact CG1-CG 4.2Å; V252-L314 HydrophobicContact CG2-CD1 3.52Å; V252-L314 HydrophobicContact CG2-CD2 4.21Å; V252-L314 HydrophobicContact CG2-CG 4.25Å |
| 253 | V | 82.3 | Confident | 84.8 | Confident | 34 Ų | 34 | 31 Ų | 31 | 21% | 0.206 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -71.4 | -44.8 | 179.7 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | W209 D249 F250 Y251 F255 T256 T257 | W209-V253 HydrophobicContact CZ2-CG2 3.74Å; D249-V253 VanDerWaalsContact O-CG2 3.31Å; D249-V253 WeakPolarHBondContact O-CG2 3.27Å; D249-V253 PolarHBondContact O-N 3.2Å; F250-V253 PolarHBondContact O-N 3.36Å; Y251-V253 VanDerWaalsContact C-N 3.27Å; Y251-V253 PolarHBondContact O-N 3.12Å; V253-F255 VanDerWaalsContact C-N 3.25Å; V253-F255 PolarHBondContact O-N 2.96Å; V253-T256 PolarHBondContact O-N 3.27Å; V253-T256 VanDerWaalsContact O-N 3.17Å; V253-T257 VanDerWaalsContact O-CB 3.29Å; V253-T257 WeakPolarHBondContact O-CB 3.25Å; V253-T257 PolarHBondContact O-N 3.21Å; V253-T257 PolarHBondContact O-OG1 3.35Å |
| 254 | A | 88.6 | Confident | 85 | Confident | 3 Ų | 3 | 33.5 Ų | 33.5 | 3% | 0.025 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -53.6 | -46.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T232 V236 F250 Y251 A258 | T232-A254 HydrophobicContact CG2-CB 3.43Å; T232-A254 VanDerWaalsContact CG2-CB 3.43Å; V236-A254 HydrophobicContact CG2-CB 4.22Å; F250-A254 WeakPolarHBondContact O-CB 3.33Å; F250-A254 PolarHBondContact O-N 2.93Å; Y251-A254 PolarHBondContact O-N 2.94Å; A254-A258 WeakPolarHBondContact O-CB 3.48Å; A254-A258 PolarHBondContact O-N 3.31Å |
| 255 | F | 86 | Confident | 85.3 | Confident | 4 Ų | 4 | 33.3 Ų | 33.3 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 175.8 | 175 | -104.8 | 0 | 0 | 0 | 113.1 | Y251 V253 T257 A258 S259 L289 A292 L314 Q317 L318 | Y251-F255 WeakPolarHBondContact O-CB 3.47Å; Y251-F255 PolarHBondContact O-N 3.22Å; V253-F255 VanDerWaalsContact C-N 3.25Å; V253-F255 PolarHBondContact O-N 2.96Å; F255-T257 VanDerWaalsContact C-N 3.32Å; F255-T257 PolarHBondContact O-N 3.15Å; F255-A258 PolarHBondContact O-N 3.02Å; F255-S259 PolarHBondContact O-N 3.29Å; F255-L289 HydrophobicContact CD2-CD2 3.6Å; F255-L289 HydrophobicContact CE2-CD2 3.3Å; F255-L289 HydrophobicContact CZ-CD2 4.16Å; F255-A292 HydrophobicContact CD2-CB 3.19Å; F255-A292 HydrophobicContact CE2-CB 3.28Å; F255-A292 HydrophobicContact CG-CB 4.16Å; F255-A292 HydrophobicContact CZ-CB 4.31Å; F255-L314 HydrophobicContact CD1-CD2 3.43Å; F255-L314 VanDerWaalsContact CD1-CD2 3.43Å; F255-L314 HydrophobicContact CE1-CD2 4.06Å; F255-L314 HydrophobicContact CG-CD2 4.32Å; F255-Q317 HydrophobicContact CE1-CB 4.07Å; F255-Q317 HydrophobicContact CE1-CG 4.09Å; F255-L318 HydrophobicContact CE1-CB 4.25Å; F255-L318 HydrophobicContact CE1-CD1 4.41Å; F255-L318 HydrophobicContact CE2-CD1 3.61Å; F255-L318 HydrophobicContact CZ-CB 3.76Å; F255-L318 HydrophobicContact CZ-CD1 3.33Å; F255-L318 HydrophobicContact CZ-CG 4.09Å |
| 256 | T | 83.7 | Confident | 85.6 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 26% | 0.264 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -60.6 | -44.2 | -179.7 | -58.1 | 0 | 0 | 0 | 0 | 111.1 | V252 V253 S259 I260 | V252-T256 WeakPolarHBondContact O-CB 3.42Å; V252-T256 PolarHBondContact O-N 2.98Å; V252-T256 PolarHBondContact O-OG1 2.99Å; V253-T256 PolarHBondContact O-N 3.27Å; V253-T256 VanDerWaalsContact O-N 3.17Å; T256-S259 PolarHBondContact O-N 2.93Å; T256-I260 HydrophobicContact CG2-CD1 3.99Å; T256-I260 WeakPolarHBondContact O-CG1 3.48Å; T256-I260 PolarHBondContact O-N 3.32Å; T256-I260 VanDerWaalsContact O-N 3.11Å |
| 257 | T | 87 | Confident | 85.8 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -62.3 | -46.5 | 176.3 | -71.3 | 0 | 0 | 0 | 0 | 111.4 | M216 I229 V253 F255 S259 I260 E261 | M216-T257 HydrophobicContact CE-CG2 3.71Å; M216-T257 HydrophobicContact CG-CG2 3.82Å; M216-T257 HydrophobicContact SD-CG2 3.82Å; I229-T257 HydrophobicContact CD1-CG2 4.14Å; V253-T257 VanDerWaalsContact O-CB 3.29Å; V253-T257 WeakPolarHBondContact O-CB 3.25Å; V253-T257 PolarHBondContact O-N 3.21Å; V253-T257 PolarHBondContact O-OG1 3.35Å; F255-T257 VanDerWaalsContact C-N 3.32Å; F255-T257 PolarHBondContact O-N 3.15Å; T257-S259 VanDerWaalsContact C-N 3.33Å; T257-S259 PolarHBondContact O-N 2.82Å; T257-I260 PolarHBondContact O-N 3.01Å; T257-E261 VanDerWaalsContact O-CB 3.27Å; T257-E261 WeakPolarHBondContact O-CB 3.26Å; T257-E261 PolarHBondContact O-N 2.89Å |
| 258 | A | 91 | Very high | 85.9 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | I229 A254 F255 L262 L288 L289 | I229-A258 HydrophobicContact CD1-CB 3.87Å; A254-A258 WeakPolarHBondContact O-CB 3.48Å; A254-A258 PolarHBondContact O-N 3.31Å; F255-A258 PolarHBondContact O-N 3.02Å; A258-L262 VanDerWaalsContact O-CB 3.25Å; A258-L262 WeakPolarHBondContact O-CB 3.36Å; A258-L262 PolarHBondContact O-N 3.1Å; A258-L288 HydrophobicContact CB-CB 3.74Å; A258-L288 HydrophobicContact CB-CD1 3.99Å; A258-L289 HydrophobicContact CB-CD2 4.17Å; A258-L289 HydrophobicContact CB-CG 4.04Å |
| 259 | S | 88.6 | Confident | 86.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.5 | -48.9 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 112.4 | F255 T256 T257 E261 L262 E263 Q317 T321 | F255-S259 PolarHBondContact O-N 3.29Å; T256-S259 PolarHBondContact O-N 2.93Å; T257-S259 VanDerWaalsContact C-N 3.33Å; T257-S259 PolarHBondContact O-N 2.82Å; S259-E261 VanDerWaalsContact C-N 3.3Å; S259-E261 PolarHBondContact O-N 3.4Å; S259-L262 PolarHBondContact O-N 2.85Å; S259-E263 WeakPolarHBondContact O-CG 3.1Å; S259-E263 PolarHBondContact O-N 3.45Å; S259-Q317 PolarHBondContact OG-NE2 3.41Å; S259-T321 WeakPolarHBondContact CB-OG1 3.17Å; S259-T321 PolarHBondContact OG-OG1 3.44Å |
| 260 | I | 87.2 | Confident | 86.1 | Confident | 85 Ų | 85 | 23.2 Ų | 23.2 | 44% | 0.436 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64 | -41.7 | -178.4 | -67.5 | 168.2 | 0 | 0 | 0 | 109.9 | T256 T257 Y264 | T256-I260 HydrophobicContact CG2-CD1 3.99Å; T256-I260 WeakPolarHBondContact O-CG1 3.48Å; T256-I260 PolarHBondContact O-N 3.32Å; T256-I260 VanDerWaalsContact O-N 3.11Å; T257-I260 PolarHBondContact O-N 3.01Å; I260-Y264 WeakPolarHBondContact O-CB 3.21Å; I260-Y264 PolarHBondContact O-N 3.37Å; I260-Y264 VanDerWaalsContact O-N 3.11Å |
| 261 | E | 89.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69.6 | -39.5 | -179.1 | -162.8 | 61 | -149.9 | 0 | 0 | 111.6 | M216 R225 I229 T257 S259 E263 Y264 L265 | M216-E261 WeakPolarHBondContact CE-OE2 3.29Å; R225-E261 IonicContact CZ-OE1 3.56Å; R225-E261 IonicContact CZ-OE2 3.96Å; R225-E261 VanDerWaalsContact CZ-OE2 3.29Å; R225-E261 IonicContact NE-OE2 3.57Å; R225-E261 PolarHBondContact NE-OE2 3.13Å; R225-E261 IonicContact NH2-OE1 2.64Å; R225-E261 IonicContact NH2-OE2 3.7Å; R225-E261 PolarHBondContact NH2-OE2 3.43Å; I229-E261 HydrophobicContact CB-CG 4.35Å; I229-E261 HydrophobicContact CG2-CG 4.22Å; T257-E261 VanDerWaalsContact O-CB 3.27Å; T257-E261 WeakPolarHBondContact O-CB 3.26Å; T257-E261 PolarHBondContact O-N 2.89Å; S259-E261 VanDerWaalsContact C-N 3.3Å; S259-E261 PolarHBondContact O-N 3.4Å; E261-E263 PolarHBondContact O-N 3.22Å; E261-Y264 PolarHBondContact O-N 3.08Å; E261-Y264 WeakPolarHBondContact OE1-CD1 3.47Å; E261-L265 HydrophobicContact CG-CD1 3.83Å; E261-L265 HydrophobicContact CG-CG 4.11Å; E261-L265 WeakPolarHBondContact O-CB 3.27Å; E261-L265 WeakPolarHBondContact O-CG 3.01Å; E261-L265 PolarHBondContact O-N 3.49Å |
| 262 | L | 90.3 | Very high | 85.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 175.2 | -177.3 | 69.2 | 0 | 0 | 0 | 111.5 | A258 S259 Y264 L265 I266 L282 L289 T321 M325 L346 | A258-L262 VanDerWaalsContact O-CB 3.25Å; A258-L262 WeakPolarHBondContact O-CB 3.36Å; A258-L262 PolarHBondContact O-N 3.1Å; S259-L262 PolarHBondContact O-N 2.85Å; L262-Y264 VanDerWaalsContact C-N 3.31Å; L262-Y264 PolarHBondContact O-N 3.05Å; L262-L265 PolarHBondContact O-N 2.88Å; L262-I266 HydrophobicContact CD1-CD1 3.96Å; L262-I266 HydrophobicContact CD1-CG1 4.44Å; L262-I266 HydrophobicContact CD2-CD1 4.38Å; L262-I266 HydrophobicContact CG-CD1 3.74Å; L262-I266 WeakPolarHBondContact O-CB 3.28Å; L262-I266 WeakPolarHBondContact O-CD1 3.27Å; L262-I266 VanDerWaalsContact O-CG1 3.24Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 2.9Å; L262-L282 HydrophobicContact CD1-CD2 3.99Å; L262-L289 HydrophobicContact CB-CD1 4.08Å; L262-L289 HydrophobicContact CD2-CD1 3.43Å; L262-L289 VanDerWaalsContact CD2-CD1 3.43Å; L262-L289 HydrophobicContact CG-CD1 4.3Å; L262-T321 HydrophobicContact CD2-CG2 4.11Å; L262-M325 HydrophobicContact CD2-CG 4.4Å; L262-M325 HydrophobicContact CD2-SD 3.98Å; L262-L346 HydrophobicContact CD1-CD2 4.34Å; L262-L346 HydrophobicContact CD2-CD2 4.34Å |
| 263 | E | 88.9 | Confident | 84.9 | Confident | 44 Ų | 44 | 37.6 Ų | 37.6 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.7 | -43.3 | 177.8 | -66.6 | -178.8 | -158.9 | 0 | 0 | 111.5 | S259 E261 N267 F324 | S259-E263 WeakPolarHBondContact O-CG 3.1Å; S259-E263 PolarHBondContact O-N 3.45Å; E261-E263 PolarHBondContact O-N 3.22Å; E263-N267 PolarHBondContact O-N 2.86Å; E263-N267 PolarHBondContact O-ND2 3.32Å; E263-F324 HydrophobicContact CB-CD1 4.27Å; E263-F324 HydrophobicContact CB-CE1 4.11Å; E263-F324 HydrophobicContact CB-CE2 4.47Å; E263-F324 HydrophobicContact CB-CZ 4.2Å; E263-F324 HydrophobicContact CG-CB 4.3Å; E263-F324 HydrophobicContact CG-CD1 3.65Å; E263-F324 HydrophobicContact CG-CD2 4.24Å; E263-F324 HydrophobicContact CG-CE1 3.99Å; E263-F324 HydrophobicContact CG-CG 3.78Å; E263-F324 HydrophobicContact CG-CZ 4.43Å |
| 264 | Y | 89.5 | Confident | 84.3 | Confident | 66 Ų | 66 | 39.3 Ų | 39.3 | 26% | 0.259 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.3 | -48.4 | 177.7 | 175.5 | -100.4 | 0 | 0 | 0 | 112.2 | D222 I260 E261 L262 I266 N267 L268 | D222-Y264 VanDerWaalsContact CG-OH 3.25Å; D222-Y264 PolarHBondContact OD1-OH 3.2Å; D222-Y264 PolarHBondContact OD2-OH 3.45Å; I260-Y264 WeakPolarHBondContact O-CB 3.21Å; I260-Y264 PolarHBondContact O-N 3.37Å; I260-Y264 VanDerWaalsContact O-N 3.11Å; E261-Y264 PolarHBondContact O-N 3.08Å; E261-Y264 WeakPolarHBondContact OE1-CD1 3.47Å; L262-Y264 VanDerWaalsContact C-N 3.31Å; L262-Y264 PolarHBondContact O-N 3.05Å; Y264-I266 PolarHBondContact O-N 2.84Å; Y264-N267 PolarHBondContact O-N 3.03Å; Y264-L268 HydrophobicContact CE1-CD2 4.18Å; Y264-L268 PolarHBondContact O-N 3.13Å |
| 265 | L | 90.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64 | -38.8 | -179 | -71.7 | 168.3 | 0 | 0 | 0 | 112.1 | E261 L262 L268 V269 L278 P281 L282 | E261-L265 HydrophobicContact CG-CD1 3.83Å; E261-L265 HydrophobicContact CG-CG 4.11Å; E261-L265 WeakPolarHBondContact O-CB 3.27Å; E261-L265 WeakPolarHBondContact O-CG 3.01Å; E261-L265 PolarHBondContact O-N 3.49Å; L262-L265 PolarHBondContact O-N 2.88Å; L265-L268 WeakPolarHBondContact O-CB 3.2Å; L265-L268 PolarHBondContact O-N 3.43Å; L265-L268 VanDerWaalsContact O-N 3.16Å; L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.44Å; L265-L278 HydrophobicContact CD2-CD2 4Å; L265-P281 HydrophobicContact CD1-CB 3.9Å; L265-P281 HydrophobicContact CD1-CG 4.37Å; L265-P281 HydrophobicContact CD2-CB 4.4Å; L265-P281 HydrophobicContact CD2-CG 4.18Å; L265-L282 HydrophobicContact CB-CD2 3.43Å; L265-L282 VanDerWaalsContact CB-CD2 3.43Å; L265-L282 HydrophobicContact CB-CG 3.9Å; L265-L282 HydrophobicContact CD1-CD2 4.09Å; L265-L282 HydrophobicContact CD1-CG 4.1Å; L265-L282 HydrophobicContact CG-CD2 4.4Å |
| 266 | I | 86.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.4 | -46.1 | 175.2 | -72.8 | 164.1 | 0 | 0 | 0 | 110.8 | L262 Y264 L268 V269 F270 L282 F324 T328 L342 L346 | L262-I266 HydrophobicContact CD1-CD1 3.96Å; L262-I266 HydrophobicContact CD1-CG1 4.44Å; L262-I266 HydrophobicContact CD2-CD1 4.38Å; L262-I266 HydrophobicContact CG-CD1 3.74Å; L262-I266 WeakPolarHBondContact O-CB 3.28Å; L262-I266 WeakPolarHBondContact O-CD1 3.27Å; L262-I266 VanDerWaalsContact O-CG1 3.24Å; L262-I266 WeakPolarHBondContact O-CG1 3.45Å; L262-I266 PolarHBondContact O-N 2.9Å; Y264-I266 PolarHBondContact O-N 2.84Å; I266-L268 PolarHBondContact O-N 3.02Å; I266-V269 WeakPolarHBondContact O-CB 3.32Å; I266-V269 PolarHBondContact O-N 3.02Å; I266-F270 HydrophobicContact CG2-CD2 4.1Å; I266-F270 HydrophobicContact CG2-CE2 3.59Å; I266-F270 WeakPolarHBondContact O-CD2 3.18Å; I266-F270 PolarHBondContact O-N 3.01Å; I266-L282 HydrophobicContact CG1-CD2 4.16Å; I266-F324 HydrophobicContact CB-CE1 4.04Å; I266-F324 HydrophobicContact CB-CZ 4.24Å; I266-F324 HydrophobicContact CD1-CD1 4.43Å; I266-F324 HydrophobicContact CD1-CE1 3.71Å; I266-F324 HydrophobicContact CG1-CE1 4.49Å; I266-F324 HydrophobicContact CG2-CE1 3.87Å; I266-F324 HydrophobicContact CG2-CZ 3.92Å; I266-T328 HydrophobicContact CG2-CG2 3.82Å; I266-L342 HydrophobicContact CG1-CD1 4.2Å; I266-L342 HydrophobicContact CG1-CD2 4.39Å; I266-L346 HydrophobicContact CD1-CD1 4.11Å; I266-L346 HydrophobicContact CD1-CD2 3.68Å |
| 267 | N | 85.1 | Confident | 83.4 | Confident | 85 Ų | 85 | 52.7 Ų | 52.7 | 46% | 0.455 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -62.4 | -34.3 | 174.4 | -72.3 | -46.2 | 0 | 0 | 0 | 111.8 | E263 Y264 F270 S271 | E263-N267 PolarHBondContact O-N 2.86Å; E263-N267 PolarHBondContact O-ND2 3.32Å; Y264-N267 PolarHBondContact O-N 3.03Å; N267-F270 PolarHBondContact O-N 3.11Å; N267-S271 PolarHBondContact O-N 2.86Å; N267-S271 VanDerWaalsContact O-N 3.17Å; N267-S271 PolarHBondContact O-OG 3.1Å |
| 268 | L | 86.5 | Confident | 83.4 | Confident | 11 Ų | 11 | 52.2 Ų | 52.2 | 6% | 0.058 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -40.6 | 176.2 | -160.8 | 63.8 | 0 | 0 | 0 | 112.2 | W226 Y264 L265 I266 F270 S271 R272 L278 | W226-L268 HydrophobicContact CH2-CD2 4.5Å; W226-L268 HydrophobicContact CZ2-CD2 3.66Å; Y264-L268 HydrophobicContact CE1-CD2 4.18Å; Y264-L268 PolarHBondContact O-N 3.13Å; L265-L268 WeakPolarHBondContact O-CB 3.2Å; L265-L268 PolarHBondContact O-N 3.43Å; L265-L268 VanDerWaalsContact O-N 3.16Å; I266-L268 PolarHBondContact O-N 3.02Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.34Å; L268-S271 WeakPolarHBondContact CA-OG 3.49Å; L268-S271 PolarHBondContact O-N 3.02Å; L268-S271 VanDerWaalsContact O-N 3.11Å; L268-S271 PolarHBondContact O-OG 3.06Å; L268-R272 HydrophobicContact CD1-CG 3.9Å; L268-R272 HydrophobicContact CG-CG 4.18Å; L268-R272 PolarHBondContact O-N 2.69Å; L268-L278 HydrophobicContact CB-CD1 4.06Å; L268-L278 HydrophobicContact CD2-CD1 4.09Å; L268-L278 HydrophobicContact CD2-CD2 3.68Å; L268-L278 HydrophobicContact CG-CD1 4.04Å |
| 269 | V | 83.2 | Confident | 83.2 | Confident | 4 Ų | 4 | 55 Ų | 55 | 2% | 0.024 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.2 | -48.2 | 172.7 | 159.7 | 0 | 0 | 0 | 0 | 110.8 | L265 I266 S271 N273 L275 L278 L282 P339 L342 | L265-V269 WeakPolarHBondContact O-CG2 3.48Å; L265-V269 PolarHBondContact O-N 3.44Å; I266-V269 WeakPolarHBondContact O-CB 3.32Å; I266-V269 PolarHBondContact O-N 3.02Å; V269-S271 VanDerWaalsContact C-N 3.3Å; V269-S271 PolarHBondContact O-N 2.97Å; V269-N273 PolarHBondContact O-N 2.88Å; V269-N273 VanDerWaalsContact O-N 3.1Å; V269-L275 HydrophobicContact CB-CD2 3.98Å; V269-L275 HydrophobicContact CG1-CD2 3.37Å; V269-L275 HydrophobicContact CG2-CD2 3.69Å; V269-L278 HydrophobicContact CB-CD1 4.44Å; V269-L278 HydrophobicContact CG2-CB 4.33Å; V269-L278 HydrophobicContact CG2-CD1 3.61Å; V269-L282 HydrophobicContact CG2-CD1 3.84Å; V269-P339 HydrophobicContact CG1-CG 4.32Å; V269-L342 HydrophobicContact CB-CD2 4.29Å; V269-L342 HydrophobicContact CG1-CD2 3.85Å; V269-L342 HydrophobicContact CG2-CD2 4.36Å |
| 270 | F | 78.5 | Confident | 83.3 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 22% | 0.224 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.8 | -33.7 | 178.3 | -70.1 | -59.8 | 0 | 0 | 0 | 113.3 | I266 N267 L268 T328 H336 L338 | I266-F270 HydrophobicContact CG2-CD2 4.1Å; I266-F270 HydrophobicContact CG2-CE2 3.59Å; I266-F270 WeakPolarHBondContact O-CD2 3.18Å; I266-F270 PolarHBondContact O-N 3.01Å; N267-F270 PolarHBondContact O-N 3.11Å; L268-F270 VanDerWaalsContact C-N 3.31Å; L268-F270 PolarHBondContact O-N 3.34Å; F270-T328 HydrophobicContact CE2-CG2 3.78Å; F270-T328 HydrophobicContact CZ-CG2 3.83Å; F270-H336 HydrophobicContact CD1-CB 3.95Å; F270-H336 HydrophobicContact CE1-CB 3.87Å; F270-L338 HydrophobicContact CE1-CD1 4.09Å; F270-L338 HydrophobicContact CZ-CD1 3.65Å |
| 271 | S | 79.5 | Confident | 83.5 | Confident | 89 Ų | 89 | 54.2 Ų | 54.2 | 62% | 0.622 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -87.2 | -37.7 | -175.5 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | N267 L268 V269 | N267-S271 PolarHBondContact O-N 2.86Å; N267-S271 VanDerWaalsContact O-N 3.17Å; N267-S271 PolarHBondContact O-OG 3.1Å; L268-S271 WeakPolarHBondContact CA-OG 3.49Å; L268-S271 PolarHBondContact O-N 3.02Å; L268-S271 VanDerWaalsContact O-N 3.11Å; L268-S271 PolarHBondContact O-OG 3.06Å; V269-S271 VanDerWaalsContact C-N 3.3Å; V269-S271 PolarHBondContact O-N 2.97Å |
| 272 | R | 74.6 | Confident | 83.6 | Confident | 124 Ų | 124 | 54.2 Ų | 54.2 | 47% | 0.468 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -96.2 | -24.1 | -175.4 | -66.8 | -168.5 | -178.1 | 171.8 | 12.5 | 113.5 | D222 L268 D274 | D222-R272 IonicContact OD2-CZ 3.7Å; D222-R272 IonicContact OD2-NH1 3.45Å; D222-R272 IonicContact OD2-NH2 3.62Å; D222-R272 PolarHBondContact OD2-NH2 3.5Å; L268-R272 HydrophobicContact CD1-CG 3.9Å; L268-R272 HydrophobicContact CG-CG 4.18Å; L268-R272 PolarHBondContact O-N 2.69Å; R272-D274 PolarHBondContact O-N 2.83Å |
| 273 | N | 65.6 | Low | 83.6 | Confident | 133 Ų | 133 | 58.1 Ų | 58.1 | 71% | 0.711 | 29% | 0.287 | S | S | * | . | trans | 51.9 | 23.2 | -172.2 | -157.6 | 34.9 | 0 | 0 | 0 | 113.7 | V269 | V269-N273 PolarHBondContact O-N 2.88Å; V269-N273 VanDerWaalsContact O-N 3.1Å | ||
| 274 | D | 70 | Confident | 83.7 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | trans | -108.5 | 110.2 | 172.4 | -170.9 | -9.9 | 0 | 0 | 0 | 108.7 | R272 Q276 L278 | R272-D274 PolarHBondContact O-N 2.83Å; D274-Q276 PolarHBondContact OD1-N 2.69Å; D274-L278 VanDerWaalsContact O-CD1 3.28Å; D274-L278 WeakPolarHBondContact O-CD1 3.34Å; D274-L278 WeakPolarHBondContact O-CG 3.19Å | ||
| 275 | L | 74.5 | Confident | 83.8 | Confident | 41 Ų | 41 | 53.2 Ų | 53.2 | 22% | 0.215 | 27% | 0.266 | C | S | . | . | trans | -103 | -20.7 | -168.5 | -57.6 | 171.5 | 0 | 0 | 0 | 111.5 | V269 L278 L279 P339 Y341 | V269-L275 HydrophobicContact CB-CD2 3.98Å; V269-L275 HydrophobicContact CG1-CD2 3.37Å; V269-L275 HydrophobicContact CG2-CD2 3.69Å; L275-L278 PolarHBondContact O-N 2.99Å; L275-L279 WeakPolarHBondContact O-CB 2.88Å; L275-L279 PolarHBondContact O-N 3.38Å; L275-L279 VanDerWaalsContact O-N 3.1Å; L275-P339 HydrophobicContact CD1-CB 4.13Å; L275-P339 HydrophobicContact CD1-CG 3.97Å; L275-P339 HydrophobicContact CD2-CG 4.41Å; L275-Y341 HydrophobicContact CB-CE1 4.4Å; L275-Y341 WeakPolarHBondContact CB-OH 3.45Å; L275-Y341 HydrophobicContact CD1-CE1 3.63Å; L275-Y341 WeakPolarHBondContact CD1-OH 3.46Å; L275-Y341 WeakPolarHBondContact CD2-OH 3.16Å; L275-Y341 HydrophobicContact CG-CE1 4.43Å; L275-Y341 WeakPolarHBondContact CG-OH 3.46Å | ||
| 276 | Q | 81.5 | Confident | 83.7 | Confident | 174 Ų | 174 | 53.2 Ų | 53.2 | 81% | 0.813 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -42.1 | -171.9 | -172.2 | 174.8 | -5.6 | 0 | 0 | 110.9 | D274 | D274-Q276 PolarHBondContact OD1-N 2.69Š|
| 277 | E | 83.3 | Confident | 83.8 | Confident | 116 Ų | 116 | 57 Ų | 57 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -31.4 | 177.8 | -62.8 | -172.8 | 164.9 | 0 | 0 | 112.4 | W226 | W226-E277 HydrophobicContact CZ3-CB 4.24Š|
| 278 | L | 87 | Confident | 84 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -16 | -176.1 | -55.7 | -176.2 | 0 | 0 | 0 | 113.4 | W226 L265 L268 V269 D274 L275 L280 P281 L282 | W226-L278 HydrophobicContact CH2-CD2 3.52Å; W226-L278 HydrophobicContact CZ2-CD2 3.31Å; W226-L278 HydrophobicContact CZ3-CD2 4.21Å; L265-L278 HydrophobicContact CD2-CD2 4Å; L268-L278 HydrophobicContact CB-CD1 4.06Å; L268-L278 HydrophobicContact CD2-CD1 4.09Å; L268-L278 HydrophobicContact CD2-CD2 3.68Å; L268-L278 HydrophobicContact CG-CD1 4.04Å; V269-L278 HydrophobicContact CB-CD1 4.44Å; V269-L278 HydrophobicContact CG2-CB 4.33Å; V269-L278 HydrophobicContact CG2-CD1 3.61Å; D274-L278 VanDerWaalsContact O-CD1 3.28Å; D274-L278 WeakPolarHBondContact O-CD1 3.34Å; D274-L278 WeakPolarHBondContact O-CG 3.19Å; L275-L278 PolarHBondContact O-N 2.99Å; L278-L280 PolarHBondContact O-N 2.93Å; L278-P281 VanDerWaalsContact O-CD 3.29Å; L278-P281 WeakPolarHBondContact O-CD 3.41Å; L278-P281 WeakPolarHBondContact O-CG 3.45Å; L278-L282 HydrophobicContact CB-CD1 4.01Å; L278-L282 VanDerWaalsContact O-CB 3.23Å; L278-L282 WeakPolarHBondContact O-CB 3.3Å; L278-L282 WeakPolarHBondContact O-CD1 3.36Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.43Å |
| 279 | L | 87.4 | Confident | 83.9 | Confident | 60 Ų | 60 | 53 Ų | 53 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61 | -47.9 | -170.5 | -169.9 | 63.5 | 0 | 0 | 0 | 112.6 | L275 L282 F283 Y341 | L275-L279 WeakPolarHBondContact O-CB 2.88Å; L275-L279 PolarHBondContact O-N 3.38Å; L275-L279 VanDerWaalsContact O-N 3.1Å; L279-L282 PolarHBondContact O-N 2.94Å; L279-F283 HydrophobicContact CD1-CD2 3.83Å; L279-F283 HydrophobicContact CD1-CE2 3.24Å; L279-F283 HydrophobicContact CD1-CZ 3.95Å; L279-F283 HydrophobicContact CD2-CE2 3.92Å; L279-F283 HydrophobicContact CG-CD2 3.65Å; L279-F283 HydrophobicContact CG-CE2 3.36Å; L279-F283 HydrophobicContact CG-CZ 4.47Å; L279-F283 WeakPolarHBondContact O-CD2 3.19Å; L279-F283 PolarHBondContact O-N 3.29Å; L279-Y341 HydrophobicContact CD1-CD2 3.57Å; L279-Y341 HydrophobicContact CD1-CE2 3.84Å; L279-Y341 HydrophobicContact CD1-CG 4.46Å |
| 280 | L | 90.1 | Very high | 83.7 | Confident | 65 Ų | 65 | 54 Ų | 54 | 34% | 0.34 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.3 | -53.3 | -179.3 | -179.6 | 60.8 | 0 | 0 | 0 | 112.7 | Q191 I230 L278 L282 F283 C284 | Q191-L280 VanDerWaalsContact CD-CD2 3.49Å; Q191-L280 HydrophobicContact CG-CD2 4.16Å; I230-L280 HydrophobicContact CD1-CD2 3.58Å; I230-L280 HydrophobicContact CD1-CG 3.77Å; I230-L280 HydrophobicContact CG1-CD2 4.19Å; I230-L280 HydrophobicContact CG1-CG 3.99Å; L278-L280 PolarHBondContact O-N 2.93Å; L280-L282 VanDerWaalsContact C-N 3.26Å; L280-L282 PolarHBondContact O-N 3.25Å; L280-F283 PolarHBondContact O-N 2.99Å; L280-C284 PolarHBondContact O-N 2.71Å; L280-C284 PolarHBondContact O-SG 2.97Å; L280-C284 VanDerWaalsContact O-SG 3.41Å |
| 281 | P | 92.4 | Very high | 83.7 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.013 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.2 | -30 | 178.2 | 25.5 | -35 | 0 | 0 | 0 | 112.8 | W226 I229 L265 L278 S285 | W226-P281 HydrophobicContact CB-CB 3.88Å; W226-P281 HydrophobicContact CB-CG 3.98Å; W226-P281 HydrophobicContact CD2-CG 4.29Å; W226-P281 HydrophobicContact CG-CB 4.08Å; W226-P281 HydrophobicContact CG-CG 3.91Å; I229-P281 HydrophobicContact CG2-CB 3.7Å; L265-P281 HydrophobicContact CD1-CB 3.9Å; L265-P281 HydrophobicContact CD1-CG 4.37Å; L265-P281 HydrophobicContact CD2-CB 4.4Å; L265-P281 HydrophobicContact CD2-CG 4.18Å; L278-P281 VanDerWaalsContact O-CD 3.29Å; L278-P281 WeakPolarHBondContact O-CD 3.41Å; L278-P281 WeakPolarHBondContact O-CG 3.45Å; P281-S285 WeakPolarHBondContact O-CB 3.47Å; P281-S285 PolarHBondContact O-N 3.43Å; P281-S285 PolarHBondContact O-OG 2.93Å |
| 282 | L | 91 | Very high | 83.5 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -50 | 171.1 | -81 | 167.2 | 0 | 0 | 0 | 111.6 | L262 L265 I266 V269 L278 L279 L280 S285 A286 L342 L345 | L262-L282 HydrophobicContact CD1-CD2 3.99Å; L265-L282 HydrophobicContact CB-CD2 3.43Å; L265-L282 VanDerWaalsContact CB-CD2 3.43Å; L265-L282 HydrophobicContact CB-CG 3.9Å; L265-L282 HydrophobicContact CD1-CD2 4.09Å; L265-L282 HydrophobicContact CD1-CG 4.1Å; L265-L282 HydrophobicContact CG-CD2 4.4Å; I266-L282 HydrophobicContact CG1-CD2 4.16Å; V269-L282 HydrophobicContact CG2-CD1 3.84Å; L278-L282 HydrophobicContact CB-CD1 4.01Å; L278-L282 VanDerWaalsContact O-CB 3.23Å; L278-L282 WeakPolarHBondContact O-CB 3.3Å; L278-L282 WeakPolarHBondContact O-CD1 3.36Å; L278-L282 WeakPolarHBondContact O-CG 3.27Å; L278-L282 PolarHBondContact O-N 3.43Å; L279-L282 PolarHBondContact O-N 2.94Å; L280-L282 VanDerWaalsContact C-N 3.26Å; L280-L282 PolarHBondContact O-N 3.25Å; L282-S285 PolarHBondContact O-N 3.01Å; L282-A286 WeakPolarHBondContact O-CB 3.47Å; L282-A286 PolarHBondContact O-N 2.95Å; L282-L342 HydrophobicContact CD1-CD1 4.35Å; L282-L342 HydrophobicContact CD2-CD1 4.24Å; L282-L345 HydrophobicContact CB-CD2 4.04Å |
| 283 | F | 90 | Very high | 83.3 | Confident | 82 Ų | 82 | 44.1 Ų | 44.1 | 36% | 0.36 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.4 | -81.1 | -59.2 | 0 | 0 | 0 | 112.1 | L279 L280 S285 A286 L287 L345 | L279-F283 HydrophobicContact CD1-CD2 3.83Å; L279-F283 HydrophobicContact CD1-CE2 3.24Å; L279-F283 HydrophobicContact CD1-CZ 3.95Å; L279-F283 HydrophobicContact CD2-CE2 3.92Å; L279-F283 HydrophobicContact CG-CD2 3.65Å; L279-F283 HydrophobicContact CG-CE2 3.36Å; L279-F283 HydrophobicContact CG-CZ 4.47Å; L279-F283 WeakPolarHBondContact O-CD2 3.19Å; L279-F283 PolarHBondContact O-N 3.29Å; L280-F283 PolarHBondContact O-N 2.99Å; F283-S285 VanDerWaalsContact C-N 3.33Å; F283-S285 PolarHBondContact O-N 3.37Å; F283-A286 PolarHBondContact O-N 3.38Å; F283-L287 WeakPolarHBondContact O-CB 3.06Å; F283-L287 VanDerWaalsContact O-CG 3.31Å; F283-L287 WeakPolarHBondContact O-CG 3.4Å; F283-L287 PolarHBondContact O-N 3.23Å; F283-L345 HydrophobicContact CD1-CD1 3.44Å; F283-L345 VanDerWaalsContact CD1-CD1 3.44Å; F283-L345 HydrophobicContact CD1-CD2 4.09Å; F283-L345 HydrophobicContact CD1-CG 4.33Å; F283-L345 HydrophobicContact CE1-CD1 3.65Å; F283-L345 HydrophobicContact CE1-CD2 4.31Å; F283-L345 HydrophobicContact CE1-CG 4.38Å |
| 284 | C | 91.7 | Very high | 83.7 | Confident | 6 Ų | 6 | 40.9 Ų | 40.9 | 4% | 0.041 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -41.9 | 177.3 | -70 | 0 | 0 | 0 | 0 | 111.9 | I230 E233 L280 L287 L288 | I230-C284 HydrophobicContact CG1-CB 4.46Å; E233-C284 HydrophobicContact CB-CB 3.85Å; E233-C284 HydrophobicContact CG-CB 4.04Å; L280-C284 PolarHBondContact O-N 2.71Å; L280-C284 PolarHBondContact O-SG 2.97Å; L280-C284 VanDerWaalsContact O-SG 3.41Å; C284-L287 PolarHBondContact O-N 2.92Å; C284-L288 WeakPolarHBondContact O-CB 2.94Å; C284-L288 WeakPolarHBondContact O-CG 3.49Å; C284-L288 PolarHBondContact O-N 2.82Å; C284-L288 VanDerWaalsContact O-N 3.07Å |
| 285 | S | 92 | Very high | 84 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.9 | -47.2 | 174.8 | -56.1 | 0 | 0 | 0 | 0 | 111.2 | I229 P281 L282 F283 L288 L289 | I229-S285 WeakPolarHBondContact CG1-OG 3.35Å; P281-S285 WeakPolarHBondContact O-CB 3.47Å; P281-S285 PolarHBondContact O-N 3.43Å; P281-S285 PolarHBondContact O-OG 2.93Å; L282-S285 PolarHBondContact O-N 3.01Å; F283-S285 VanDerWaalsContact C-N 3.33Å; F283-S285 PolarHBondContact O-N 3.37Å; S285-L288 PolarHBondContact O-N 2.92Å; S285-L289 WeakPolarHBondContact O-CD1 3.37Å; S285-L289 WeakPolarHBondContact O-CG 3.19Å; S285-L289 PolarHBondContact O-N 3.03Å; S285-L289 VanDerWaalsContact O-N 3.08Å |
| 286 | A | 88.4 | Confident | 83.9 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.008 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L282 F283 L288 L289 T290 L345 T349 | L282-A286 WeakPolarHBondContact O-CB 3.47Å; L282-A286 PolarHBondContact O-N 2.95Å; F283-A286 PolarHBondContact O-N 3.38Å; A286-L288 VanDerWaalsContact C-N 3.33Å; A286-L288 PolarHBondContact O-N 3.46Å; A286-L289 CarbonylContact O-C 3.25Å; A286-L289 WeakPolarHBondContact O-CB 3.05Å; A286-L289 PolarHBondContact O-N 3.3Å; A286-L289 VanDerWaalsContact O-N 3.07Å; A286-T290 WeakPolarHBondContact O-CG2 3.21Å; A286-T290 PolarHBondContact O-N 3.18Å; A286-L345 HydrophobicContact CB-CD1 3.36Å; A286-L345 HydrophobicContact CB-CD2 4.14Å; A286-L345 HydrophobicContact CB-CG 3.82Å; A286-T349 WeakPolarHBondContact CB-OG1 3.47Å |
| 287 | L | 87.6 | Confident | 83.5 | Confident | 80 Ų | 80 | 30.1 Ų | 30.1 | 42% | 0.419 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.3 | -72.3 | 174.4 | 0 | 0 | 0 | 112.5 | E233 F283 C284 L289 T290 Q291 | E233-L287 HydrophobicContact CG-CB 4.41Å; F283-L287 WeakPolarHBondContact O-CB 3.06Å; F283-L287 VanDerWaalsContact O-CG 3.31Å; F283-L287 WeakPolarHBondContact O-CG 3.4Å; F283-L287 PolarHBondContact O-N 3.23Å; C284-L287 PolarHBondContact O-N 2.92Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L287-T290 PolarHBondContact O-OG1 3.3Å; L287-Q291 WeakPolarHBondContact O-CG 3.45Å |
| 288 | L | 88.5 | Confident | 83 | Confident | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.5 | -39.9 | 172.6 | -77 | 169.4 | 0 | 0 | 0 | 111.6 | I229 T232 E233 V236 A258 C284 S285 A286 | I229-L288 HydrophobicContact CD1-CD1 3.56Å; I229-L288 HydrophobicContact CG1-CD1 4.36Å; T232-L288 HydrophobicContact CG2-CD1 3.88Å; T232-L288 HydrophobicContact CG2-CD2 4.45Å; E233-L288 HydrophobicContact CB-CD1 4.06Å; E233-L288 HydrophobicContact CB-CD2 4.44Å; E233-L288 HydrophobicContact CB-CG 4.07Å; E233-L288 HydrophobicContact CG-CG 4.13Å; V236-L288 HydrophobicContact CB-CD2 3.79Å; V236-L288 HydrophobicContact CG1-CD2 4.14Å; V236-L288 HydrophobicContact CG2-CD2 3.52Å; A258-L288 HydrophobicContact CB-CB 3.74Å; A258-L288 HydrophobicContact CB-CD1 3.99Å; C284-L288 WeakPolarHBondContact O-CB 2.94Å; C284-L288 WeakPolarHBondContact O-CG 3.49Å; C284-L288 PolarHBondContact O-N 2.82Å; C284-L288 VanDerWaalsContact O-N 3.07Å; S285-L288 PolarHBondContact O-N 2.92Å; A286-L288 VanDerWaalsContact C-N 3.33Å; A286-L288 PolarHBondContact O-N 3.46Å |
| 289 | L | 85.7 | Confident | 82.2 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -72.7 | -31.5 | 180 | -67.7 | 167.9 | 0 | 0 | 0 | 113.1 | F255 A258 L262 S285 A286 L287 Q291 A292 P293 T321 T349 | F255-L289 HydrophobicContact CD2-CD2 3.6Å; F255-L289 HydrophobicContact CE2-CD2 3.3Å; F255-L289 HydrophobicContact CZ-CD2 4.16Å; A258-L289 HydrophobicContact CB-CD2 4.17Å; A258-L289 HydrophobicContact CB-CG 4.04Å; L262-L289 HydrophobicContact CB-CD1 4.08Å; L262-L289 HydrophobicContact CD2-CD1 3.43Å; L262-L289 VanDerWaalsContact CD2-CD1 3.43Å; L262-L289 HydrophobicContact CG-CD1 4.3Å; S285-L289 WeakPolarHBondContact O-CD1 3.37Å; S285-L289 WeakPolarHBondContact O-CG 3.19Å; S285-L289 PolarHBondContact O-N 3.03Å; S285-L289 VanDerWaalsContact O-N 3.08Å; A286-L289 CarbonylContact O-C 3.25Å; A286-L289 WeakPolarHBondContact O-CB 3.05Å; A286-L289 PolarHBondContact O-N 3.3Å; A286-L289 VanDerWaalsContact O-N 3.07Å; L287-L289 VanDerWaalsContact C-N 3.32Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 2.84Å; L289-A292 WeakPolarHBondContact O-CB 3.24Å; L289-A292 PolarHBondContact O-N 3.38Å; L289-P293 WeakPolarHBondContact O-CD 3.49Å; L289-T321 HydrophobicContact CD1-CG2 4.11Å; L289-T349 HydrophobicContact CB-CG2 4.05Å |
| 290 | T | 78.7 | Confident | 81.4 | Confident | 26 Ų | 26 | 28 Ų | 28 | 16% | 0.16 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -69.1 | -26.6 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 113.2 | A286 L287 T349 Y352 | A286-T290 WeakPolarHBondContact O-CG2 3.21Å; A286-T290 PolarHBondContact O-N 3.18Å; L287-T290 PolarHBondContact O-OG1 3.3Å; T290-T349 HydrophobicContact CG2-CG2 4.16Å; T290-Y352 HydrophobicContact CG2-CD2 3.87Å; T290-Y352 HydrophobicContact CG2-CG 4.27Å |
| 291 | Q | 77.2 | Confident | 80.5 | Confident | 56 Ų | 56 | 31 Ų | 31 | 26% | 0.262 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -80.7 | -19.5 | 177.1 | -63 | 179.8 | 16.7 | 0 | 0 | 113 | Y251 L287 L289 M295 | Y251-Q291 PolarHBondContact OH-O 3.02Å; Y251-Q291 VanDerWaalsContact OH-O 3.1Å; L287-Q291 WeakPolarHBondContact O-CG 3.45Å; L289-Q291 VanDerWaalsContact C-N 3.29Å; L289-Q291 PolarHBondContact O-N 2.84Å; Q291-M295 WeakPolarHBondContact O-CG 3.32Å; Q291-M295 PolarHBondContact O-N 3.06Å |
| 292 | A | 76 | Confident | 79.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.2 | -48.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y251 F255 L289 M295 L296 L318 | Y251-A292 WeakPolarHBondContact OH-CA 3.33Å; Y251-A292 PolarHBondContact OH-N 3.32Å; Y251-A292 VanDerWaalsContact OH-N 3.13Å; F255-A292 HydrophobicContact CD2-CB 3.19Å; F255-A292 HydrophobicContact CE2-CB 3.28Å; F255-A292 HydrophobicContact CG-CB 4.16Å; F255-A292 HydrophobicContact CZ-CB 4.31Å; L289-A292 WeakPolarHBondContact O-CB 3.24Å; L289-A292 PolarHBondContact O-N 3.38Å; A292-M295 PolarHBondContact O-N 3.34Å; A292-L296 WeakPolarHBondContact O-CB 3.38Å; A292-L296 WeakPolarHBondContact O-CG 3.37Å; A292-L296 PolarHBondContact O-N 3.08Å; A292-L318 HydrophobicContact CB-CD1 4.37Å |
| 293 | P | 70.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | -176.5 | -22.5 | 34.9 | 0 | 0 | 0 | 113 | L289 M295 L296 S297 D356 L360 | L289-P293 WeakPolarHBondContact O-CD 3.49Å; P293-M295 VanDerWaalsContact C-N 3.35Å; P293-M295 PolarHBondContact O-N 3.3Å; P293-L296 PolarHBondContact O-N 3.43Å; P293-S297 PolarHBondContact O-N 3.47Å; P293-D356 HydrophobicContact CB-CB 3.19Å; P293-D356 HydrophobicContact CG-CB 4.28Å; P293-L360 HydrophobicContact CB-CD1 4.34Å; P293-L360 WeakPolarHBondContact O-CD1 3.32Å |
| 294 | E | 74 | Confident | 76 | Confident | 66 Ų | 66 | 41.7 Ų | 41.7 | 31% | 0.308 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 178.5 | -174.8 | 178.8 | -171.3 | 0 | 0 | 111 | R241 L296 S297 L298 | R241-E294 IonicContact CZ-OE1 3.54Å; R241-E294 VanDerWaalsContact CZ-OE1 3.31Å; R241-E294 IonicContact CZ-OE2 3.47Å; R241-E294 VanDerWaalsContact NH1-CD 3.35Å; R241-E294 IonicContact NH1-OE1 3.87Å; R241-E294 PolarHBondContact NH1-OE1 3.24Å; R241-E294 IonicContact NH1-OE2 3.57Å; R241-E294 VanDerWaalsContact NH2-CD 3.34Å; R241-E294 IonicContact NH2-OE1 4Å; R241-E294 PolarHBondContact NH2-OE1 2.83Å; R241-E294 IonicContact NH2-OE2 3.92Å; R241-E294 PolarHBondContact NH2-OE2 3.04Å; E294-L296 PolarHBondContact O-N 3.26Å; E294-S297 WeakPolarHBondContact O-CB 3.22Å; E294-S297 PolarHBondContact O-N 3.02Å; E294-L298 WeakPolarHBondContact O-CG 3.35Å; E294-L298 PolarHBondContact O-N 3.17Å |
| 295 | M | 75.5 | Confident | 74.2 | Confident | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.025 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 176.4 | -70.9 | -66.7 | -63.9 | 0 | 0 | 112.2 | R241 L244 M245 Y251 Q291 A292 P293 L298 L299 | R241-M295 HydrophobicContact CB-SD 4.37Å; R241-M295 HydrophobicContact CG-SD 4.26Å; L244-M295 HydrophobicContact CB-CE 3.68Å; L244-M295 HydrophobicContact CD1-CE 4.47Å; M245-M295 HydrophobicContact CG-CE 3.78Å; M245-M295 HydrophobicContact SD-CE 3.45Å; M245-M295 WeakPolarHBondContact SD-CE 3.47Å; M245-M295 HydrophobicContact SD-SD 4.18Å; Y251-M295 HydrophobicContact CD1-CB 4.26Å; Y251-M295 HydrophobicContact CD2-CE 4.46Å; Y251-M295 HydrophobicContact CE1-CB 3.43Å; Y251-M295 VanDerWaalsContact CE1-CB 3.43Å; Y251-M295 HydrophobicContact CE1-CG 4.05Å; Y251-M295 HydrophobicContact CE2-CB 4.32Å; Y251-M295 HydrophobicContact CE2-CE 4.45Å; Y251-M295 HydrophobicContact CE2-CG 4Å; Y251-M295 VanDerWaalsContact CZ-CB 3.47Å; Y251-M295 WeakPolarHBondContact OH-CB 3.33Å; Y251-M295 WeakPolarHBondContact OH-CG 3.45Å; Q291-M295 WeakPolarHBondContact O-CG 3.32Å; Q291-M295 PolarHBondContact O-N 3.06Å; A292-M295 PolarHBondContact O-N 3.34Å; P293-M295 VanDerWaalsContact C-N 3.35Å; P293-M295 PolarHBondContact O-N 3.3Å; M295-L298 PolarHBondContact O-N 2.98Å; M295-L298 HydrophobicContact SD-CD1 4.48Å; M295-L299 WeakPolarHBondContact O-CB 3.42Å; M295-L299 WeakPolarHBondContact O-CG 2.98Å; M295-L299 PolarHBondContact O-N 2.89Å |
| 296 | L | 73.3 | Confident | 72.4 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -40.6 | 174.5 | -76.1 | 168.7 | 0 | 0 | 0 | 112.2 | A292 P293 E294 L299 L300 L314 L318 L360 | A292-L296 WeakPolarHBondContact O-CB 3.38Å; A292-L296 WeakPolarHBondContact O-CG 3.37Å; A292-L296 PolarHBondContact O-N 3.08Å; P293-L296 PolarHBondContact O-N 3.43Å; E294-L296 PolarHBondContact O-N 3.26Å; L296-L299 PolarHBondContact O-N 3.4Å; L296-L300 VanDerWaalsContact O-CG 3.32Å; L296-L300 WeakPolarHBondContact O-CG 3.45Å; L296-L300 PolarHBondContact O-N 2.86Å; L296-L300 VanDerWaalsContact O-N 3.1Å; L296-L314 HydrophobicContact CD2-CB 3.99Å; L296-L314 HydrophobicContact CD2-CD1 3.53Å; L296-L314 HydrophobicContact CD2-CG 4.33Å; L296-L318 HydrophobicContact CD1-CD2 3.67Å; L296-L360 HydrophobicContact CB-CD1 3.86Å |
| 297 | S | 72.5 | Confident | 70.8 | Confident | 46 Ų | 46 | 53.3 Ų | 53.3 | 32% | 0.322 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 175.1 | -169 | 0 | 0 | 0 | 0 | 111.4 | P293 E294 L299 L300 D301 | P293-S297 PolarHBondContact O-N 3.47Å; E294-S297 WeakPolarHBondContact O-CB 3.22Å; E294-S297 PolarHBondContact O-N 3.02Å; S297-L299 VanDerWaalsContact C-N 3.3Å; S297-L299 PolarHBondContact O-N 2.83Å; S297-L300 PolarHBondContact O-N 3Å; S297-D301 PolarHBondContact O-N 3.38Å; S297-D301 VanDerWaalsContact O-N 3.14Å |
| 298 | L | 73.9 | Confident | 69.6 | Low | 61 Ų | 61 | 57.5 Ų | 57.5 | 32% | 0.319 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 176.7 | -67.1 | 171.1 | 0 | 0 | 0 | 111.8 | M245 E294 M295 L300 D301 D302 | M245-L298 VanDerWaalsContact CE-C 3.45Å; M245-L298 HydrophobicContact CE-CB 3.67Å; M245-L298 HydrophobicContact SD-CB 3.86Å; E294-L298 WeakPolarHBondContact O-CG 3.35Å; E294-L298 PolarHBondContact O-N 3.17Å; M295-L298 PolarHBondContact O-N 2.98Å; M295-L298 HydrophobicContact SD-CD1 4.48Å; L298-L300 VanDerWaalsContact C-N 3.28Å; L298-L300 PolarHBondContact O-N 3.07Å; L298-D301 PolarHBondContact O-N 3.32Å; L298-D302 PolarHBondContact O-N 3.27Å |
| 299 | L | 70.8 | Confident | 68.3 | Low | 6 Ų | 6 | 64.3 Ų | 64.3 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -65.1 | -35 | 179.8 | -74.4 | 168.9 | 0 | 0 | 0 | 111.9 | M245 T248 M295 L296 S297 D303 F306 | M245-L299 HydrophobicContact CE-CB 4.22Å; M245-L299 HydrophobicContact CE-CD2 3.38Å; M245-L299 HydrophobicContact CE-CG 3.66Å; M245-L299 HydrophobicContact SD-CD2 3.65Å; M245-L299 HydrophobicContact SD-CG 3.68Å; T248-L299 HydrophobicContact CG2-CD2 3.47Å; T248-L299 VanDerWaalsContact CG2-CD2 3.47Å; M295-L299 WeakPolarHBondContact O-CB 3.42Å; M295-L299 WeakPolarHBondContact O-CG 2.98Å; M295-L299 PolarHBondContact O-N 2.89Å; L296-L299 PolarHBondContact O-N 3.4Å; S297-L299 VanDerWaalsContact C-N 3.3Å; S297-L299 PolarHBondContact O-N 2.83Å; L299-D303 PolarHBondContact O-N 3.31Å; L299-F306 HydrophobicContact CB-CD2 4.35Å; L299-F306 HydrophobicContact CB-CE2 4.27Å; L299-F306 HydrophobicContact CD1-CE2 4.08Å; L299-F306 HydrophobicContact CD1-CZ 4.28Å; L299-F306 HydrophobicContact CD2-CD2 4.28Å; L299-F306 HydrophobicContact CD2-CE2 3.9Å; L299-F306 HydrophobicContact CG-CE2 4.31Å |
| 300 | L | 69.5 | Low | 67.2 | Low | 68 Ų | 68 | 66 Ų | 66 | 36% | 0.356 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -72.6 | -31.9 | 176 | -70.8 | 165.1 | 0 | 0 | 0 | 113 | L296 S297 L298 I311 L360 | L296-L300 VanDerWaalsContact O-CG 3.32Å; L296-L300 WeakPolarHBondContact O-CG 3.45Å; L296-L300 PolarHBondContact O-N 2.86Å; L296-L300 VanDerWaalsContact O-N 3.1Å; S297-L300 PolarHBondContact O-N 3Å; L298-L300 VanDerWaalsContact C-N 3.28Å; L298-L300 PolarHBondContact O-N 3.07Å; L300-I311 HydrophobicContact CD2-CD1 3.34Å; L300-I311 HydrophobicContact CD2-CG1 3.88Å; L300-I311 HydrophobicContact CD2-CG2 4.19Å; L300-I311 HydrophobicContact CG-CD1 4.44Å; L300-L360 HydrophobicContact CD1-CD2 3.29Å |
| 301 | D | 70.5 | Confident | 66.6 | Low | 128 Ų | 128 | 65.9 Ų | 65.9 | 68% | 0.684 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -77.9 | -38.2 | 179.1 | -74.2 | -22.2 | 0 | 0 | 0 | 112.5 | S297 L298 | S297-D301 PolarHBondContact O-N 3.38Å; S297-D301 VanDerWaalsContact O-N 3.14Å; L298-D301 PolarHBondContact O-N 3.32Å |
| 302 | D | 66.1 | Low | 66.3 | Low | 132 Ų | 132 | 65.4 Ų | 65.4 | 71% | 0.706 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -83.7 | -30.9 | -174.5 | -88.9 | -12.8 | 0 | 0 | 0 | 114.2 | M245 L298 | M245-D302 HydrophobicContact CE-CB 4.44Å; L298-D302 PolarHBondContact O-N 3.27Å |
| 303 | D | 58.5 | Low | 66.1 | Low | 75 Ų | 75 | 68.1 Ų | 68.1 | 40% | 0.401 | 38% | 0.383 | S | S | . | . | trans | -130.8 | 93.7 | -175 | -169.7 | 0.5 | 0 | 0 | 0 | 112 | L299 D305 F306 | L299-D303 PolarHBondContact O-N 3.31Å; D303-D305 PolarHBondContact O-N 3.38Å; D303-D305 VanDerWaalsContact O-N 3.15Å; D303-D305 WeakPolarHBondContact OD1-CA 3.14Å; D303-D305 WeakPolarHBondContact OD1-CB 3.33Å; D303-D305 PolarHBondContact OD1-N 2.88Å; D303-F306 HydrophobicContact CB-CB 4.09Å; D303-F306 VanDerWaalsContact O-CB 3.27Å; D303-F306 WeakPolarHBondContact O-CB 3.25Å; D303-F306 PolarHBondContact O-N 2.9Å; D303-F306 PolarHBondContact OD1-N 3.43Å | ||
| 304 | A | 54.7 | Low | 66.2 | Low | 103 Ų | 103 | 68.3 Ų | 68.3 | 85% | 0.851 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -19 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 305 | D | 54.3 | Low | 66.1 | Low | 150 Ų | 150 | 66.4 Ų | 66.4 | 80% | 0.802 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 3.2 | 177.1 | -69.4 | -34.7 | 0 | 0 | 0 | 112.3 | D303 N307 | D303-D305 PolarHBondContact O-N 3.38Å; D303-D305 VanDerWaalsContact O-N 3.15Å; D303-D305 WeakPolarHBondContact OD1-CA 3.14Å; D303-D305 WeakPolarHBondContact OD1-CB 3.33Å; D303-D305 PolarHBondContact OD1-N 2.88Å; D305-N307 PolarHBondContact O-N 3.28Å |
| 306 | F | 53.7 | Low | 66.1 | Low | 20 Ų | 20 | 72.3 Ų | 72.3 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -54.1 | 118.9 | 175.7 | -167.4 | -75 | 0 | 0 | 0 | 108.5 | T248 L299 D303 E308 I311 | T248-F306 HydrophobicContact CG2-CD2 4.47Å; T248-F306 HydrophobicContact CG2-CE2 3.81Å; L299-F306 HydrophobicContact CB-CD2 4.35Å; L299-F306 HydrophobicContact CB-CE2 4.27Å; L299-F306 HydrophobicContact CD1-CE2 4.08Å; L299-F306 HydrophobicContact CD1-CZ 4.28Å; L299-F306 HydrophobicContact CD2-CD2 4.28Å; L299-F306 HydrophobicContact CD2-CE2 3.9Å; L299-F306 HydrophobicContact CG-CE2 4.31Å; D303-F306 HydrophobicContact CB-CB 4.09Å; D303-F306 VanDerWaalsContact O-CB 3.27Å; D303-F306 WeakPolarHBondContact O-CB 3.25Å; D303-F306 PolarHBondContact O-N 2.9Å; D303-F306 PolarHBondContact OD1-N 3.43Å; F306-E308 PolarHBondContact O-N 3.42Å; F306-I311 HydrophobicContact CB-CD1 3.93Å; F306-I311 HydrophobicContact CD1-CB 4.45Å; F306-I311 HydrophobicContact CD1-CD1 3.29Å; F306-I311 HydrophobicContact CD1-CG1 3.32Å; F306-I311 HydrophobicContact CE1-CD1 4.08Å; F306-I311 HydrophobicContact CE1-CG1 3.56Å; F306-I311 HydrophobicContact CG-CD1 3.93Å; F306-I311 HydrophobicContact CG-CG1 4.29Å |
| 307 | N | 54.6 | Low | 66.3 | Low | 81 Ų | 81 | 74.1 Ų | 74.1 | 43% | 0.433 | 41% | 0.409 | S | S | . | . | trans | -47.3 | 111 | -170.2 | -179.8 | 1.6 | 0 | 0 | 0 | 110.9 | D305 Q309 S310 I311 | D305-N307 PolarHBondContact O-N 3.28Å; N307-Q309 PolarHBondContact O-N 2.91Å; N307-Q309 VanDerWaalsContact OD1-CB 3.31Å; N307-Q309 WeakPolarHBondContact OD1-CB 3.46Å; N307-Q309 WeakPolarHBondContact OD1-CG 3.23Å; N307-Q309 PolarHBondContact OD1-N 2.82Å; N307-Q309 VanDerWaalsContact OD1-N 3.1Å; N307-S310 PolarHBondContact O-N 2.98Å; N307-I311 PolarHBondContact O-N 3.39Å | ||
| 308 | E | 62.4 | Low | 66.4 | Low | 167 Ų | 167 | 72 Ų | 72 | 78% | 0.78 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -47.9 | -30.7 | 179.7 | -168.5 | -178.8 | -179.9 | 0 | 0 | 111.8 | F306 S312 | F306-E308 PolarHBondContact O-N 3.42Å; E308-S312 WeakPolarHBondContact O-CB 3.31Å; E308-S312 PolarHBondContact O-N 3.25Å |
| 309 | Q | 61.4 | Low | 66.4 | Low | 149 Ų | 149 | 70.1 Ų | 70.1 | 70% | 0.696 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -70.1 | -41.6 | 176.5 | -58.8 | -178.6 | -4.2 | 0 | 0 | 113.5 | N307 S312 A313 | N307-Q309 PolarHBondContact O-N 2.91Å; N307-Q309 VanDerWaalsContact OD1-CB 3.31Å; N307-Q309 WeakPolarHBondContact OD1-CB 3.46Å; N307-Q309 WeakPolarHBondContact OD1-CG 3.23Å; N307-Q309 PolarHBondContact OD1-N 2.82Å; N307-Q309 VanDerWaalsContact OD1-N 3.1Å; Q309-S312 PolarHBondContact O-N 3.39Å; Q309-A313 WeakPolarHBondContact O-CB 3.45Å; Q309-A313 PolarHBondContact O-N 3.09Å |
| 310 | S | 63.8 | Low | 66.8 | Low | 40 Ų | 40 | 72.6 Ų | 72.6 | 28% | 0.28 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -68.1 | -43.4 | 179.3 | -64.1 | 0 | 0 | 0 | 0 | 110.7 | N307 A313 L314 | N307-S310 PolarHBondContact O-N 2.98Å; S310-A313 PolarHBondContact O-N 2.88Å; S310-L314 VanDerWaalsContact O-CG 3.27Å; S310-L314 WeakPolarHBondContact O-CG 3.34Å; S310-L314 PolarHBondContact O-N 3.42Å |
| 311 | I | 65.4 | Low | 67.3 | Low | 23 Ų | 23 | 69.5 Ų | 69.5 | 12% | 0.118 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -58.8 | -49.6 | 170.8 | -76.4 | 149 | 0 | 0 | 0 | 110.4 | L300 F306 N307 A313 L314 I315 | L300-I311 HydrophobicContact CD2-CD1 3.34Å; L300-I311 HydrophobicContact CD2-CG1 3.88Å; L300-I311 HydrophobicContact CD2-CG2 4.19Å; L300-I311 HydrophobicContact CG-CD1 4.44Å; F306-I311 HydrophobicContact CB-CD1 3.93Å; F306-I311 HydrophobicContact CD1-CB 4.45Å; F306-I311 HydrophobicContact CD1-CD1 3.29Å; F306-I311 HydrophobicContact CD1-CG1 3.32Å; F306-I311 HydrophobicContact CE1-CD1 4.08Å; F306-I311 HydrophobicContact CE1-CG1 3.56Å; F306-I311 HydrophobicContact CG-CD1 3.93Å; F306-I311 HydrophobicContact CG-CG1 4.29Å; N307-I311 PolarHBondContact O-N 3.39Å; I311-A313 VanDerWaalsContact C-N 3.28Å; I311-A313 PolarHBondContact O-N 3.34Å; I311-L314 PolarHBondContact O-N 2.96Å; I311-I315 HydrophobicContact CG2-CD1 3.46Å; I311-I315 VanDerWaalsContact CG2-CD1 3.46Å; I311-I315 HydrophobicContact CG2-CG1 4.11Å; I311-I315 WeakPolarHBondContact O-CB 3.45Å; I311-I315 WeakPolarHBondContact O-CG1 3.41Å; I311-I315 PolarHBondContact O-N 3.21Å |
| 312 | S | 70.1 | Confident | 67.6 | Low | 46 Ų | 46 | 63.5 Ų | 63.5 | 32% | 0.322 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.3 | -39.4 | -178.6 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | E308 Q309 K316 | E308-S312 WeakPolarHBondContact O-CB 3.31Å; E308-S312 PolarHBondContact O-N 3.25Å; Q309-S312 PolarHBondContact O-N 3.39Å; S312-K316 WeakPolarHBondContact O-CB 3.2Å; S312-K316 WeakPolarHBondContact O-CD 3.05Å; S312-K316 VanDerWaalsContact O-CG 3.22Å; S312-K316 WeakPolarHBondContact O-CG 3.43Å; S312-K316 PolarHBondContact O-N 3.08Å; S312-K316 PolarHBondContact OG-NZ 3.07Å |
| 313 | A | 72.2 | Confident | 68 | Low | 58 Ų | 58 | 58.9 Ų | 58.9 | 48% | 0.479 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -66.9 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q309 S310 I311 K316 Q317 | Q309-A313 WeakPolarHBondContact O-CB 3.45Å; Q309-A313 PolarHBondContact O-N 3.09Å; S310-A313 PolarHBondContact O-N 2.88Å; I311-A313 VanDerWaalsContact C-N 3.28Å; I311-A313 PolarHBondContact O-N 3.34Å; A313-K316 PolarHBondContact O-N 3.47Å; A313-Q317 WeakPolarHBondContact O-CB 3.27Å; A313-Q317 PolarHBondContact O-N 3.42Å |
| 314 | L | 73.4 | Confident | 69.1 | Low | 3 Ų | 3 | 57.2 Ų | 57.2 | 2% | 0.016 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.7 | -49.2 | 176.3 | -72.5 | 169.1 | 0 | 0 | 0 | 111.6 | V252 F255 L296 S310 I311 K316 Q317 L318 | V252-L314 HydrophobicContact CB-CD1 4.37Å; V252-L314 HydrophobicContact CB-CD2 4.17Å; V252-L314 HydrophobicContact CG1-CD1 4.37Å; V252-L314 HydrophobicContact CG1-CD2 3.8Å; V252-L314 HydrophobicContact CG1-CG 4.2Å; V252-L314 HydrophobicContact CG2-CD1 3.52Å; V252-L314 HydrophobicContact CG2-CD2 4.21Å; V252-L314 HydrophobicContact CG2-CG 4.25Å; F255-L314 HydrophobicContact CD1-CD2 3.43Å; F255-L314 VanDerWaalsContact CD1-CD2 3.43Å; F255-L314 HydrophobicContact CE1-CD2 4.06Å; F255-L314 HydrophobicContact CG-CD2 4.32Å; L296-L314 HydrophobicContact CD2-CB 3.99Å; L296-L314 HydrophobicContact CD2-CD1 3.53Å; L296-L314 HydrophobicContact CD2-CG 4.33Å; S310-L314 VanDerWaalsContact O-CG 3.27Å; S310-L314 WeakPolarHBondContact O-CG 3.34Å; S310-L314 PolarHBondContact O-N 3.42Å; I311-L314 PolarHBondContact O-N 2.96Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.24Å; L314-Q317 PolarHBondContact O-N 3.5Å; L314-Q317 VanDerWaalsContact O-N 3.17Å; L314-L318 WeakPolarHBondContact O-CB 3.47Å; L314-L318 PolarHBondContact O-N 3.25Å |
| 315 | I | 72 | Confident | 70.3 | Confident | 26 Ų | 26 | 52.3 Ų | 52.3 | 13% | 0.133 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -55.2 | -46.4 | 175.5 | -76.6 | 178.6 | 0 | 0 | 0 | 111 | I311 L318 I319 L361 L365 | I311-I315 HydrophobicContact CG2-CD1 3.46Å; I311-I315 VanDerWaalsContact CG2-CD1 3.46Å; I311-I315 HydrophobicContact CG2-CG1 4.11Å; I311-I315 WeakPolarHBondContact O-CB 3.45Å; I311-I315 WeakPolarHBondContact O-CG1 3.41Å; I311-I315 PolarHBondContact O-N 3.21Å; I315-L318 WeakPolarHBondContact O-CB 3.22Å; I315-L318 PolarHBondContact O-N 2.91Å; I315-I319 HydrophobicContact CG2-CD1 3.92Å; I315-I319 WeakPolarHBondContact O-CD1 3.45Å; I315-I319 VanDerWaalsContact O-CG1 3.29Å; I315-I319 WeakPolarHBondContact O-CG1 3.35Å; I315-I319 PolarHBondContact O-N 3.07Å; I315-L361 HydrophobicContact CB-CD2 4.33Å; I315-L361 HydrophobicContact CG1-CD2 4.45Å; I315-L361 HydrophobicContact CG2-CD2 3.65Å; I315-L365 HydrophobicContact CG2-CD1 4.38Å |
| 316 | K | 75.2 | Confident | 71.3 | Confident | 129 Ų | 129 | 45.2 Ų | 45.2 | 56% | 0.561 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -63.6 | -43.1 | 177.6 | -76.9 | 168.5 | -176.4 | 164.1 | 0 | 112.3 | S312 A313 L314 I319 S320 | S312-K316 WeakPolarHBondContact O-CB 3.2Å; S312-K316 WeakPolarHBondContact O-CD 3.05Å; S312-K316 VanDerWaalsContact O-CG 3.22Å; S312-K316 WeakPolarHBondContact O-CG 3.43Å; S312-K316 PolarHBondContact O-N 3.08Å; S312-K316 PolarHBondContact OG-NZ 3.07Å; A313-K316 PolarHBondContact O-N 3.47Å; L314-K316 VanDerWaalsContact C-N 3.32Å; L314-K316 PolarHBondContact O-N 3.24Å; K316-I319 PolarHBondContact O-N 3.24Å; K316-S320 PolarHBondContact O-N 2.66Å |
| 317 | Q | 78.3 | Confident | 72.4 | Confident | 46 Ų | 46 | 45.9 Ų | 45.9 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.2 | -48.7 | 178.4 | -173.2 | 62.3 | 44.6 | 0 | 0 | 110.3 | F255 S259 A313 L314 I319 S320 T321 | F255-Q317 HydrophobicContact CE1-CB 4.07Å; F255-Q317 HydrophobicContact CE1-CG 4.09Å; S259-Q317 PolarHBondContact OG-NE2 3.41Å; A313-Q317 WeakPolarHBondContact O-CB 3.27Å; A313-Q317 PolarHBondContact O-N 3.42Å; L314-Q317 PolarHBondContact O-N 3.5Å; L314-Q317 VanDerWaalsContact O-N 3.17Å; Q317-I319 VanDerWaalsContact C-N 3.31Å; Q317-I319 PolarHBondContact O-N 3.26Å; Q317-S320 VanDerWaalsContact O-CB 3.32Å; Q317-S320 WeakPolarHBondContact O-CB 3.42Å; Q317-S320 PolarHBondContact O-N 2.86Å; Q317-T321 PolarHBondContact O-N 2.87Å; Q317-T321 PolarHBondContact O-OG1 3.45Å |
| 318 | L | 74.7 | Confident | 73.4 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -47.9 | -52.9 | 173.7 | -163.4 | 63.3 | 0 | 0 | 0 | 109.8 | F255 A292 L296 L314 I315 S320 T321 T322 Y353 L361 | F255-L318 HydrophobicContact CE1-CB 4.25Å; F255-L318 HydrophobicContact CE1-CD1 4.41Å; F255-L318 HydrophobicContact CE2-CD1 3.61Å; F255-L318 HydrophobicContact CZ-CB 3.76Å; F255-L318 HydrophobicContact CZ-CD1 3.33Å; F255-L318 HydrophobicContact CZ-CG 4.09Å; A292-L318 HydrophobicContact CB-CD1 4.37Å; L296-L318 HydrophobicContact CD1-CD2 3.67Å; L314-L318 WeakPolarHBondContact O-CB 3.47Å; L314-L318 PolarHBondContact O-N 3.25Å; I315-L318 WeakPolarHBondContact O-CB 3.22Å; I315-L318 PolarHBondContact O-N 2.91Å; L318-S320 PolarHBondContact O-N 3.01Å; L318-T321 PolarHBondContact O-N 2.82Å; L318-T322 PolarHBondContact O-N 2.8Å; L318-T322 VanDerWaalsContact O-N 3.08Å; L318-Y353 HydrophobicContact CB-CE2 3.89Å; L318-Y353 HydrophobicContact CD1-CD2 3.51Å; L318-Y353 HydrophobicContact CD1-CE2 3.09Å; L318-Y353 HydrophobicContact CD2-CE2 4.29Å; L318-Y353 HydrophobicContact CG-CD2 3.99Å; L318-Y353 HydrophobicContact CG-CE2 3.11Å; L318-Y353 VanDerWaalsContact CG-CZ 3.41Å; L318-Y353 VanDerWaalsContact CG-OH 3.3Å; L318-Y353 WeakPolarHBondContact CG-OH 3.47Å; L318-Y353 WeakPolarHBondContact O-CE2 3.32Å; L318-Y353 VanDerWaalsContact O-CZ 3.29Å; L318-Y353 PolarHBondContact O-OH 3.17Å; L318-L361 HydrophobicContact CD2-CD2 4.21Å |
| 319 | I | 73.2 | Confident | 73.9 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 11% | 0.113 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.8 | -40.8 | -179.7 | -68.9 | 156.4 | 0 | 0 | 0 | 112.4 | I315 K316 Q317 T322 S323 Y353 L361 L365 | I315-I319 HydrophobicContact CG2-CD1 3.92Å; I315-I319 WeakPolarHBondContact O-CD1 3.45Å; I315-I319 VanDerWaalsContact O-CG1 3.29Å; I315-I319 WeakPolarHBondContact O-CG1 3.35Å; I315-I319 PolarHBondContact O-N 3.07Å; K316-I319 PolarHBondContact O-N 3.24Å; Q317-I319 VanDerWaalsContact C-N 3.31Å; Q317-I319 PolarHBondContact O-N 3.26Å; I319-T322 PolarHBondContact O-N 3.4Å; I319-S323 WeakPolarHBondContact O-CB 3.25Å; I319-S323 PolarHBondContact O-N 3.45Å; I319-S323 PolarHBondContact O-OG 3.05Å; I319-Y353 VanDerWaalsContact CA-OH 3.27Å; I319-Y353 WeakPolarHBondContact CA-OH 3.31Å; I319-Y353 PolarHBondContact N-OH 3.41Å; I319-L361 HydrophobicContact CD1-CD1 4.45Å; I319-L361 HydrophobicContact CD1-CD2 3.65Å; I319-L361 HydrophobicContact CD1-CG 4.48Å; I319-L361 HydrophobicContact CG1-CD1 3.79Å; I319-L361 HydrophobicContact CG1-CD2 3.53Å; I319-L361 HydrophobicContact CG1-CG 4.24Å; I319-L365 HydrophobicContact CD1-CB 3.38Å; I319-L365 HydrophobicContact CD1-CD1 3.2Å; I319-L365 HydrophobicContact CD1-CD2 4.13Å; I319-L365 HydrophobicContact CD1-CG 3.7Å; I319-L365 HydrophobicContact CG1-CB 4.3Å |
| 320 | S | 79.7 | Confident | 74.2 | Confident | 58 Ų | 58 | 28.7 Ų | 28.7 | 41% | 0.406 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -58.4 | -50.1 | 176.8 | -171.7 | 0 | 0 | 0 | 0 | 110.5 | K316 Q317 L318 T322 S323 F324 | K316-S320 PolarHBondContact O-N 2.66Å; Q317-S320 VanDerWaalsContact O-CB 3.32Å; Q317-S320 WeakPolarHBondContact O-CB 3.42Å; Q317-S320 PolarHBondContact O-N 2.86Å; L318-S320 PolarHBondContact O-N 3.01Å; S320-T322 VanDerWaalsContact C-N 3.33Å; S320-T322 PolarHBondContact O-N 3.49Å; S320-S323 PolarHBondContact O-N 2.96Å; S320-F324 WeakPolarHBondContact O-CB 3.23Å; S320-F324 PolarHBondContact O-N 3.42Å |
| 321 | T | 80.2 | Confident | 74.2 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.012 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57 | -47.3 | 178.5 | -34.1 | 0 | 0 | 0 | 0 | 111.1 | S259 L262 L289 Q317 L318 F324 M325 | S259-T321 WeakPolarHBondContact CB-OG1 3.17Å; S259-T321 PolarHBondContact OG-OG1 3.44Å; L262-T321 HydrophobicContact CD2-CG2 4.11Å; L289-T321 HydrophobicContact CD1-CG2 4.11Å; Q317-T321 PolarHBondContact O-N 2.87Å; Q317-T321 PolarHBondContact O-OG1 3.45Å; L318-T321 PolarHBondContact O-N 2.82Å; T321-F324 WeakPolarHBondContact O-CB 3.17Å; T321-F324 PolarHBondContact O-N 3.25Å; T321-M325 HydrophobicContact CG2-CE 4.29Å; T321-M325 WeakPolarHBondContact O-CG 3.41Å; T321-M325 PolarHBondContact O-N 2.97Å |
| 322 | T | 74.9 | Confident | 73.7 | Confident | 3 Ų | 3 | 34 Ų | 34 | 2% | 0.018 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.1 | -40 | -178.5 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | L318 I319 S320 F324 M325 L326 Y353 M373 | L318-T322 PolarHBondContact O-N 2.8Å; L318-T322 VanDerWaalsContact O-N 3.08Å; I319-T322 PolarHBondContact O-N 3.4Å; S320-T322 VanDerWaalsContact C-N 3.33Å; S320-T322 PolarHBondContact O-N 3.49Å; T322-F324 VanDerWaalsContact C-N 3.29Å; T322-F324 PolarHBondContact O-N 3.28Å; T322-M325 PolarHBondContact O-N 3.5Å; T322-L326 HydrophobicContact CG2-CD1 4.02Å; T322-L326 HydrophobicContact CG2-CG 4.41Å; T322-L326 WeakPolarHBondContact O-CB 3.26Å; T322-L326 WeakPolarHBondContact O-CG 3.33Å; T322-L326 PolarHBondContact O-N 2.97Å; T322-Y353 HydrophobicContact CG2-CD1 4.11Å; T322-Y353 HydrophobicContact CG2-CE1 3.87Å; T322-Y353 WeakPolarHBondContact OG1-CD1 3.31Å; T322-Y353 VanDerWaalsContact OG1-CD2 3.24Å; T322-Y353 WeakPolarHBondContact OG1-CD2 3.48Å; T322-Y353 WeakPolarHBondContact OG1-CE1 3.41Å; T322-Y353 WeakPolarHBondContact OG1-CE2 3.25Å; T322-M373 HydrophobicContact CG2-CE 4.46Å |
| 323 | S | 75.4 | Confident | 72.6 | Confident | 34 Ų | 34 | 33 Ų | 33 | 24% | 0.238 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.9 | -40.5 | 174.8 | -61.8 | 0 | 0 | 0 | 0 | 111.4 | I319 S320 V327 | I319-S323 WeakPolarHBondContact O-CB 3.25Å; I319-S323 PolarHBondContact O-N 3.45Å; I319-S323 PolarHBondContact O-OG 3.05Å; S320-S323 PolarHBondContact O-N 2.96Å; S323-V327 WeakPolarHBondContact O-CB 3.29Å; S323-V327 VanDerWaalsContact O-CG2 3.26Å; S323-V327 WeakPolarHBondContact O-CG2 3.32Å; S323-V327 PolarHBondContact O-N 3.13Å |
| 324 | F | 81.1 | Confident | 71.5 | Confident | 40 Ų | 40 | 39.8 Ų | 39.8 | 18% | 0.175 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.2 | -45.7 | 174.7 | 174.3 | -90.5 | 0 | 0 | 0 | 112.1 | E263 I266 S320 T321 T322 V327 T328 | E263-F324 HydrophobicContact CB-CD1 4.27Å; E263-F324 HydrophobicContact CB-CE1 4.11Å; E263-F324 HydrophobicContact CB-CE2 4.47Å; E263-F324 HydrophobicContact CB-CZ 4.2Å; E263-F324 HydrophobicContact CG-CB 4.3Å; E263-F324 HydrophobicContact CG-CD1 3.65Å; E263-F324 HydrophobicContact CG-CD2 4.24Å; E263-F324 HydrophobicContact CG-CE1 3.99Å; E263-F324 HydrophobicContact CG-CG 3.78Å; E263-F324 HydrophobicContact CG-CZ 4.43Å; I266-F324 HydrophobicContact CB-CE1 4.04Å; I266-F324 HydrophobicContact CB-CZ 4.24Å; I266-F324 HydrophobicContact CD1-CD1 4.43Å; I266-F324 HydrophobicContact CD1-CE1 3.71Å; I266-F324 HydrophobicContact CG1-CE1 4.49Å; I266-F324 HydrophobicContact CG2-CE1 3.87Å; I266-F324 HydrophobicContact CG2-CZ 3.92Å; S320-F324 WeakPolarHBondContact O-CB 3.23Å; S320-F324 PolarHBondContact O-N 3.42Å; T321-F324 WeakPolarHBondContact O-CB 3.17Å; T321-F324 PolarHBondContact O-N 3.25Å; T322-F324 VanDerWaalsContact C-N 3.29Å; T322-F324 PolarHBondContact O-N 3.28Å; F324-V327 PolarHBondContact O-N 2.99Å; F324-T328 WeakPolarHBondContact CE1-OG1 3.49Å; F324-T328 VanDerWaalsContact O-CB 3.27Å; F324-T328 WeakPolarHBondContact O-CB 3Å; F324-T328 PolarHBondContact O-N 3.14Å; F324-T328 PolarHBondContact O-OG1 3Å |
| 325 | M | 79.4 | Confident | 70.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.8 | -48.9 | 176.7 | -71.5 | -171.6 | -69.3 | 0 | 0 | 110.8 | L262 T321 T322 V327 T328 I329 L346 T349 M350 | L262-M325 HydrophobicContact CD2-CG 4.4Å; L262-M325 HydrophobicContact CD2-SD 3.98Å; T321-M325 HydrophobicContact CG2-CE 4.29Å; T321-M325 WeakPolarHBondContact O-CG 3.41Å; T321-M325 PolarHBondContact O-N 2.97Å; T322-M325 PolarHBondContact O-N 3.5Å; M325-V327 PolarHBondContact O-N 3.3Å; M325-T328 WeakPolarHBondContact O-CB 3.46Å; M325-T328 PolarHBondContact O-N 3.37Å; M325-I329 WeakPolarHBondContact O-CD1 3.42Å; M325-I329 WeakPolarHBondContact O-CG1 3.33Å; M325-I329 PolarHBondContact O-N 2.87Å; M325-L346 HydrophobicContact CG-CD2 4.09Å; M325-L346 HydrophobicContact SD-CD2 3.96Å; M325-T349 HydrophobicContact CE-CG2 4.37Å; M325-T349 HydrophobicContact SD-CG2 4.23Å; M325-M350 HydrophobicContact CB-CG 4.23Å; M325-M350 HydrophobicContact CB-SD 4.07Å; M325-M350 HydrophobicContact CE-CG 3.78Å; M325-M350 HydrophobicContact SD-CG 4.13Å |
| 326 | L | 75.3 | Confident | 69.5 | Low | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 177.9 | -73 | 170.4 | 0 | 0 | 0 | 112.2 | T322 T328 I329 I330 M350 A369 K372 M373 F396 | T322-L326 HydrophobicContact CG2-CD1 4.02Å; T322-L326 HydrophobicContact CG2-CG 4.41Å; T322-L326 WeakPolarHBondContact O-CB 3.26Å; T322-L326 WeakPolarHBondContact O-CG 3.33Å; T322-L326 PolarHBondContact O-N 2.97Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 3.14Å; L326-I329 PolarHBondContact O-N 3.32Å; L326-I330 HydrophobicContact CB-CD1 4.24Å; L326-I330 WeakPolarHBondContact O-CB 3.38Å; L326-I330 VanDerWaalsContact O-CD1 3.25Å; L326-I330 WeakPolarHBondContact O-CD1 3.5Å; L326-I330 WeakPolarHBondContact O-CG1 3.44Å; L326-I330 PolarHBondContact O-N 3.15Å; L326-M350 HydrophobicContact CD2-CE 4.44Å; L326-M350 HydrophobicContact CD2-SD 3.61Å; L326-M350 HydrophobicContact CG-SD 3.93Å; L326-A369 HydrophobicContact CD1-CB 4.05Å; L326-K372 HydrophobicContact CB-CB 4.27Å; L326-K372 HydrophobicContact CD1-CB 4.24Å; L326-M373 HydrophobicContact CD1-CE 3.92Å; L326-M373 HydrophobicContact CD1-CG 3.66Å; L326-M373 HydrophobicContact CD2-CB 4.49Å; L326-M373 HydrophobicContact CD2-CG 3.84Å; L326-M373 HydrophobicContact CG-CG 4.42Å; L326-F396 HydrophobicContact CD2-CZ 4.35Å |
| 327 | V | 76.7 | Confident | 68.9 | Low | 34 Ų | 34 | 50.7 Ų | 50.7 | 21% | 0.206 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.2 | -45.5 | 176.9 | 164.5 | 0 | 0 | 0 | 0 | 111 | S323 F324 M325 I329 I330 E331 K372 | S323-V327 WeakPolarHBondContact O-CB 3.29Å; S323-V327 VanDerWaalsContact O-CG2 3.26Å; S323-V327 WeakPolarHBondContact O-CG2 3.32Å; S323-V327 PolarHBondContact O-N 3.13Å; F324-V327 PolarHBondContact O-N 2.99Å; M325-V327 PolarHBondContact O-N 3.3Å; V327-I329 PolarHBondContact O-N 3.34Å; V327-I330 PolarHBondContact O-N 3.3Å; V327-E331 HydrophobicContact CG1-CB 4.25Å; V327-E331 HydrophobicContact CG1-CG 4.21Å; V327-E331 WeakPolarHBondContact CG1-OE2 3.19Å; V327-E331 WeakPolarHBondContact O-CB 3.37Å; V327-E331 PolarHBondContact O-N 2.65Å; V327-K372 HydrophobicContact CG2-CD 4.15Å |
| 328 | T | 76.3 | Confident | 68.4 | Low | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.2 | -36.4 | 179.4 | -66 | 0 | 0 | 0 | 0 | 111.8 | I266 F270 F324 M325 L326 L338 L346 | I266-T328 HydrophobicContact CG2-CG2 3.82Å; F270-T328 HydrophobicContact CE2-CG2 3.78Å; F270-T328 HydrophobicContact CZ-CG2 3.83Å; F324-T328 WeakPolarHBondContact CE1-OG1 3.49Å; F324-T328 VanDerWaalsContact O-CB 3.27Å; F324-T328 WeakPolarHBondContact O-CB 3Å; F324-T328 PolarHBondContact O-N 3.14Å; F324-T328 PolarHBondContact O-OG1 3Å; M325-T328 WeakPolarHBondContact O-CB 3.46Å; M325-T328 PolarHBondContact O-N 3.37Å; L326-T328 VanDerWaalsContact C-N 3.33Å; L326-T328 PolarHBondContact O-N 3.14Å; T328-L338 HydrophobicContact CG2-CD1 4.31Å; T328-L346 HydrophobicContact CG2-CD1 4.38Å |
| 329 | I | 73 | Confident | 68.2 | Low | 6 Ų | 6 | 51.1 Ų | 51.1 | 3% | 0.031 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -80.7 | -36.3 | -179.8 | -57.8 | 159.9 | 0 | 0 | 0 | 111.6 | M325 L326 V327 L338 Y343 L346 M350 Y376 | M325-I329 WeakPolarHBondContact O-CD1 3.42Å; M325-I329 WeakPolarHBondContact O-CG1 3.33Å; M325-I329 PolarHBondContact O-N 2.87Å; L326-I329 PolarHBondContact O-N 3.32Å; V327-I329 PolarHBondContact O-N 3.34Å; I329-L338 HydrophobicContact CG1-CD2 4.3Å; I329-Y343 HydrophobicContact CG2-CD2 4.02Å; I329-Y343 HydrophobicContact CG2-CE2 3.78Å; I329-L346 HydrophobicContact CD1-CB 3.99Å; I329-L346 HydrophobicContact CD1-CD1 4.39Å; I329-L346 HydrophobicContact CG1-CD1 4.16Å; I329-M350 HydrophobicContact CD1-CE 3.23Å; I329-M350 HydrophobicContact CD1-SD 3.89Å; I329-Y376 HydrophobicContact CB-CD2 4.15Å; I329-Y376 HydrophobicContact CB-CE2 4.38Å; I329-Y376 HydrophobicContact CG2-CD2 3.29Å; I329-Y376 HydrophobicContact CG2-CE2 3.26Å |
| 330 | I | 67.6 | Low | 67.9 | Low | 26 Ų | 26 | 54.7 Ų | 54.7 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -84.7 | -55.5 | -175.2 | -64.4 | 160.9 | 0 | 0 | 0 | 112.6 | L326 V327 K372 L375 | L326-I330 HydrophobicContact CB-CD1 4.24Å; L326-I330 WeakPolarHBondContact O-CB 3.38Å; L326-I330 VanDerWaalsContact O-CD1 3.25Å; L326-I330 WeakPolarHBondContact O-CD1 3.5Å; L326-I330 WeakPolarHBondContact O-CG1 3.44Å; L326-I330 PolarHBondContact O-N 3.15Å; V327-I330 PolarHBondContact O-N 3.3Å; I330-K372 HydrophobicContact CD1-CB 3.53Å; I330-K372 HydrophobicContact CD1-CG 4.25Å; I330-K372 WeakPolarHBondContact CD1-O 3.33Å; I330-L375 HydrophobicContact CG2-CD2 3.52Å; I330-L375 HydrophobicContact CG2-CG 3.86Å |
| 331 | E | 64.3 | Low | 67.5 | Low | 127 Ų | 127 | 55.2 Ų | 55.2 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -80.1 | -28.3 | -167.2 | -67.3 | -178.6 | -174.4 | 0 | 0 | 112.2 | V327 G333 | V327-E331 HydrophobicContact CG1-CB 4.25Å; V327-E331 HydrophobicContact CG1-CG 4.21Å; V327-E331 WeakPolarHBondContact CG1-OE2 3.19Å; V327-E331 WeakPolarHBondContact O-CB 3.37Å; V327-E331 PolarHBondContact O-N 2.65Å; E331-G333 VanDerWaalsContact C-N 3.34Å; E331-G333 PolarHBondContact O-N 3Å |
| 332 | N | 54.1 | Low | 67.2 | Low | 46 Ų | 46 | 55.1 Ų | 55.1 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | G | 310 helix | trans | -87.2 | -0.6 | -180 | -67.4 | -21.9 | 0 | 0 | 0 | 113.9 | E334 E335 H336 | N332-E334 PolarHBondContact O-N 3.1Å; N332-E334 VanDerWaalsContact O-N 3.15Å; N332-E335 PolarHBondContact O-N 2.93Å; N332-H336 CarbonylContact O-C 3.25Å; N332-H336 VanDerWaalsContact O-C 3.25Å; N332-H336 PolarHBondContact O-N 3.2Å |
| 333 | G | 47.5 | Very low | 67.1 | Low | 27 Ų | 27 | 57.4 Ų | 57.4 | 28% | 0.278 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -61 | -24.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | E331 | E331-G333 VanDerWaalsContact C-N 3.34Å; E331-G333 PolarHBondContact O-N 3Å |
| 334 | E | 48.6 | Very low | 67 | Low | 199 Ų | 199 | 59.6 Ų | 59.6 | 93% | 0.93 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.2 | -33.4 | 177 | -67.1 | -163.9 | 164.3 | 0 | 0 | 113.9 | N332 | N332-E334 PolarHBondContact O-N 3.1Å; N332-E334 VanDerWaalsContact O-N 3.15Å |
| 335 | E | 48.3 | Very low | 66.8 | Low | 162 Ų | 162 | 58.5 Ų | 58.5 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | -31.6 | -177 | -72.1 | -169.5 | 160 | 0 | 0 | 113.5 | N332 | N332-E335 PolarHBondContact O-N 2.93Š|
| 336 | H | 55.7 | Low | 66.8 | Low | 99 Ų | 99 | 58.4 Ų | 58.4 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -144.4 | 100.5 | -177.7 | -62.3 | -52.6 | 0 | 0 | 0 | 110.7 | F270 N332 L338 | F270-H336 HydrophobicContact CD1-CB 3.95Å; F270-H336 HydrophobicContact CE1-CB 3.87Å; N332-H336 CarbonylContact O-C 3.25Å; N332-H336 VanDerWaalsContact O-C 3.25Å; N332-H336 PolarHBondContact O-N 3.2Å; H336-L338 PolarHBondContact O-N 3.38Å |
| 337 | T | 62.4 | Low | 66.7 | Low | 127 Ų | 127 | 59 Ų | 59 | 78% | 0.779 | 31% | 0.313 | S | S | * | . | trans | -59 | 113.9 | 170.9 | 36.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 338 | L | 67.7 | Low | 66.6 | Low | 27 Ų | 27 | 61.5 Ų | 61.5 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | trans | -57 | 130.8 | 173.6 | -167.5 | 69 | 0 | 0 | 0 | 108.8 | F270 T328 I329 H336 S340 L342 Y343 L346 | F270-L338 HydrophobicContact CE1-CD1 4.09Å; F270-L338 HydrophobicContact CZ-CD1 3.65Å; T328-L338 HydrophobicContact CG2-CD1 4.31Å; I329-L338 HydrophobicContact CG1-CD2 4.3Å; H336-L338 PolarHBondContact O-N 3.38Å; L338-S340 PolarHBondContact O-N 2.92Å; L338-L342 HydrophobicContact CD1-CB 4.28Å; L338-L342 HydrophobicContact CD1-CD2 3.44Å; L338-L342 VanDerWaalsContact CD1-CD2 3.44Å; L338-L342 HydrophobicContact CD1-CG 3.77Å; L338-L342 HydrophobicContact CD2-CG 4.33Å; L338-L342 HydrophobicContact CG-CB 4.2Å; L338-L342 HydrophobicContact CG-CD2 4.27Å; L338-L342 HydrophobicContact CG-CG 4.12Å; L338-Y343 VanDerWaalsContact CD2-CA 3.42Å; L338-Y343 HydrophobicContact CD2-CD2 4.22Å; L338-Y343 HydrophobicContact CD2-CG 4.46Å; L338-L346 HydrophobicContact CD2-CD1 4.03Å | ||
| 339 | P | 71.1 | Confident | 66.6 | Low | 28 Ų | 28 | 61.4 Ų | 61.4 | 18% | 0.182 | 32% | 0.322 | C | S | . | . | trans | -57.6 | 137.9 | 174.6 | -24.5 | 34.3 | 0 | 0 | 0 | 111 | V269 L275 Y341 L342 Y343 | V269-P339 HydrophobicContact CG1-CG 4.32Å; L275-P339 HydrophobicContact CD1-CB 4.13Å; L275-P339 HydrophobicContact CD1-CG 3.97Å; L275-P339 HydrophobicContact CD2-CG 4.41Å; P339-Y341 VanDerWaalsContact C-N 3.28Å; P339-Y341 HydrophobicContact CB-CD1 3.97Å; P339-Y341 HydrophobicContact CB-CE1 3.21Å; P339-Y341 WeakPolarHBondContact CB-OH 3.5Å; P339-Y341 HydrophobicContact CG-CE1 4.22Å; P339-Y341 PolarHBondContact O-N 2.9Å; P339-Y341 VanDerWaalsContact O-N 3.13Å; P339-L342 PolarHBondContact O-N 2.69Å; P339-Y343 PolarHBondContact O-N 3.1Å | ||
| 340 | S | 67 | Low | 66.6 | Low | 97 Ų | 97 | 61.2 Ų | 61.2 | 68% | 0.678 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -56.3 | -35.8 | -169.7 | -54.7 | 0 | 0 | 0 | 0 | 114.5 | L338 Y343 V344 | L338-S340 PolarHBondContact O-N 2.92Å; S340-Y343 WeakPolarHBondContact O-CB 3.35Å; S340-V344 VanDerWaalsContact O-CG2 3.31Å; S340-V344 WeakPolarHBondContact O-CG2 3.27Å; S340-V344 PolarHBondContact O-N 3.24Å |
| 341 | Y | 71.4 | Confident | 66.7 | Low | 70 Ų | 70 | 61.4 Ų | 61.4 | 28% | 0.275 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.8 | -36.1 | 178 | 66.5 | -86.7 | 0 | 0 | 0 | 111.9 | L275 L279 P339 V344 L345 | L275-Y341 HydrophobicContact CB-CE1 4.4Å; L275-Y341 WeakPolarHBondContact CB-OH 3.45Å; L275-Y341 HydrophobicContact CD1-CE1 3.63Å; L275-Y341 WeakPolarHBondContact CD1-OH 3.46Å; L275-Y341 WeakPolarHBondContact CD2-OH 3.16Å; L275-Y341 HydrophobicContact CG-CE1 4.43Å; L275-Y341 WeakPolarHBondContact CG-OH 3.46Å; L279-Y341 HydrophobicContact CD1-CD2 3.57Å; L279-Y341 HydrophobicContact CD1-CE2 3.84Å; L279-Y341 HydrophobicContact CD1-CG 4.46Å; P339-Y341 VanDerWaalsContact C-N 3.28Å; P339-Y341 HydrophobicContact CB-CD1 3.97Å; P339-Y341 HydrophobicContact CB-CE1 3.21Å; P339-Y341 WeakPolarHBondContact CB-OH 3.5Å; P339-Y341 HydrophobicContact CG-CE1 4.22Å; P339-Y341 PolarHBondContact O-N 2.9Å; P339-Y341 VanDerWaalsContact O-N 3.13Å; Y341-V344 PolarHBondContact O-N 3.49Å; Y341-L345 WeakPolarHBondContact O-CB 3.46Å; Y341-L345 PolarHBondContact O-N 3.05Å |
| 342 | L | 73.5 | Confident | 66.9 | Low | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -69.8 | -41.4 | 177 | -179.5 | 55.2 | 0 | 0 | 0 | 109.1 | I266 V269 L282 L338 P339 V344 L345 L346 | I266-L342 HydrophobicContact CG1-CD1 4.2Å; I266-L342 HydrophobicContact CG1-CD2 4.39Å; V269-L342 HydrophobicContact CB-CD2 4.29Å; V269-L342 HydrophobicContact CG1-CD2 3.85Å; V269-L342 HydrophobicContact CG2-CD2 4.36Å; L282-L342 HydrophobicContact CD1-CD1 4.35Å; L282-L342 HydrophobicContact CD2-CD1 4.24Å; L338-L342 HydrophobicContact CD1-CB 4.28Å; L338-L342 HydrophobicContact CD1-CD2 3.44Å; L338-L342 VanDerWaalsContact CD1-CD2 3.44Å; L338-L342 HydrophobicContact CD1-CG 3.77Å; L338-L342 HydrophobicContact CD2-CG 4.33Å; L338-L342 HydrophobicContact CG-CB 4.2Å; L338-L342 HydrophobicContact CG-CD2 4.27Å; L338-L342 HydrophobicContact CG-CG 4.12Å; P339-L342 PolarHBondContact O-N 2.69Å; L342-V344 PolarHBondContact O-N 2.9Å; L342-L345 HydrophobicContact CD1-CD2 4.3Å; L342-L345 WeakPolarHBondContact O-CB 3.33Å; L342-L345 PolarHBondContact O-N 3.13Å; L342-L346 HydrophobicContact CD1-CD1 4.45Å; L342-L346 HydrophobicContact CD1-CD2 4.24Å; L342-L346 HydrophobicContact CD1-CG 4.13Å; L342-L346 HydrophobicContact CG-CD1 4.41Å; L342-L346 HydrophobicContact CG-CG 4.46Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.23Å |
| 343 | Y | 72.4 | Confident | 67.6 | Low | 50 Ų | 50 | 58.4 Ų | 58.4 | 20% | 0.196 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.2 | -54.6 | 170.6 | 176.7 | -86.7 | 0 | 0 | 0 | 112 | I329 L338 P339 S340 L345 L346 V347 Y376 E380 | I329-Y343 HydrophobicContact CG2-CD2 4.02Å; I329-Y343 HydrophobicContact CG2-CE2 3.78Å; L338-Y343 VanDerWaalsContact CD2-CA 3.42Å; L338-Y343 HydrophobicContact CD2-CD2 4.22Å; L338-Y343 HydrophobicContact CD2-CG 4.46Å; P339-Y343 PolarHBondContact O-N 3.1Å; S340-Y343 WeakPolarHBondContact O-CB 3.35Å; Y343-L345 VanDerWaalsContact C-N 3.32Å; Y343-L345 PolarHBondContact O-N 3.25Å; Y343-L346 PolarHBondContact O-N 2.89Å; Y343-V347 HydrophobicContact CD1-CG2 4.21Å; Y343-V347 HydrophobicContact CE1-CG2 3.86Å; Y343-V347 HydrophobicContact CE2-CG2 4.31Å; Y343-V347 VanDerWaalsContact O-CG2 3.23Å; Y343-V347 WeakPolarHBondContact O-CG2 3.31Å; Y343-V347 PolarHBondContact O-N 3.01Å; Y343-Y376 AromaticContact CE2-CE2 3.76Å; Y343-Y376 HydrophobicContact CE2-CE2 3.76Å; Y343-Y376 AromaticContact CZ-CE2 3.96Å; Y343-Y376 VanDerWaalsContact CZ-OH 3.3Å; Y343-Y376 PolarHBondContact OH-OH 3.13Å; Y343-E380 VanDerWaalsContact CE2-CD 3.43Å; Y343-E380 HydrophobicContact CE2-CG 4.13Å; Y343-E380 VanDerWaalsContact CE2-OE2 3.28Å; Y343-E380 WeakPolarHBondContact CE2-OE2 3.39Å; Y343-E380 WeakPolarHBondContact OH-CG 3.46Å; Y343-E380 PolarHBondContact OH-OE2 2.89Å |
| 344 | V | 73 | Confident | 68.5 | Low | 81 Ų | 81 | 57.1 Ų | 57.1 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.7 | -44.4 | 178.8 | 170.7 | 0 | 0 | 0 | 0 | 111.1 | S340 Y341 L342 L346 V347 E348 | S340-V344 VanDerWaalsContact O-CG2 3.31Å; S340-V344 WeakPolarHBondContact O-CG2 3.27Å; S340-V344 PolarHBondContact O-N 3.24Å; Y341-V344 PolarHBondContact O-N 3.49Å; L342-V344 PolarHBondContact O-N 2.9Å; V344-L346 PolarHBondContact O-N 3.33Å; V344-V347 PolarHBondContact O-N 3.36Å; V344-E348 HydrophobicContact CG1-CG 4.25Å; V344-E348 WeakPolarHBondContact O-CB 3.45Å; V344-E348 WeakPolarHBondContact O-CG 3.45Å; V344-E348 PolarHBondContact O-N 2.96Å |
| 345 | L | 77.7 | Confident | 69.3 | Low | 16 Ų | 16 | 53 Ų | 53 | 8% | 0.084 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 177.7 | -179.2 | 60.8 | 0 | 0 | 0 | 112.4 | L282 F283 A286 Y341 L342 Y343 T349 | L282-L345 HydrophobicContact CB-CD2 4.04Å; F283-L345 HydrophobicContact CD1-CD1 3.44Å; F283-L345 VanDerWaalsContact CD1-CD1 3.44Å; F283-L345 HydrophobicContact CD1-CD2 4.09Å; F283-L345 HydrophobicContact CD1-CG 4.33Å; F283-L345 HydrophobicContact CE1-CD1 3.65Å; F283-L345 HydrophobicContact CE1-CD2 4.31Å; F283-L345 HydrophobicContact CE1-CG 4.38Å; A286-L345 HydrophobicContact CB-CD1 3.36Å; A286-L345 HydrophobicContact CB-CD2 4.14Å; A286-L345 HydrophobicContact CB-CG 3.82Å; Y341-L345 WeakPolarHBondContact O-CB 3.46Å; Y341-L345 PolarHBondContact O-N 3.05Å; L342-L345 HydrophobicContact CD1-CD2 4.3Å; L342-L345 WeakPolarHBondContact O-CB 3.33Å; L342-L345 PolarHBondContact O-N 3.13Å; Y343-L345 VanDerWaalsContact C-N 3.32Å; Y343-L345 PolarHBondContact O-N 3.25Å; L345-T349 WeakPolarHBondContact O-CB 3.33Å; L345-T349 PolarHBondContact O-N 2.81Å; L345-T349 PolarHBondContact O-OG1 2.95Å |
| 346 | L | 79 | Confident | 69.9 | Low | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | -180 | -61.3 | -175.9 | 0 | 0 | 0 | 111.6 | L262 I266 M325 T328 I329 L338 L342 Y343 V344 T349 M350 | L262-L346 HydrophobicContact CD1-CD2 4.34Å; L262-L346 HydrophobicContact CD2-CD2 4.34Å; I266-L346 HydrophobicContact CD1-CD1 4.11Å; I266-L346 HydrophobicContact CD1-CD2 3.68Å; M325-L346 HydrophobicContact CG-CD2 4.09Å; M325-L346 HydrophobicContact SD-CD2 3.96Å; T328-L346 HydrophobicContact CG2-CD1 4.38Å; I329-L346 HydrophobicContact CD1-CB 3.99Å; I329-L346 HydrophobicContact CD1-CD1 4.39Å; I329-L346 HydrophobicContact CG1-CD1 4.16Å; L338-L346 HydrophobicContact CD2-CD1 4.03Å; L342-L346 HydrophobicContact CD1-CD1 4.45Å; L342-L346 HydrophobicContact CD1-CD2 4.24Å; L342-L346 HydrophobicContact CD1-CG 4.13Å; L342-L346 HydrophobicContact CG-CD1 4.41Å; L342-L346 HydrophobicContact CG-CG 4.46Å; L342-L346 VanDerWaalsContact O-CG 3.29Å; L342-L346 WeakPolarHBondContact O-CG 3.46Å; L342-L346 PolarHBondContact O-N 3.23Å; Y343-L346 PolarHBondContact O-N 2.89Å; V344-L346 PolarHBondContact O-N 3.33Å; L346-T349 PolarHBondContact O-N 2.85Å; L346-M350 WeakPolarHBondContact O-CB 3.29Å; L346-M350 VanDerWaalsContact O-CG 3.22Å; L346-M350 WeakPolarHBondContact O-CG 3.1Å; L346-M350 PolarHBondContact O-N 3.24Å |
| 347 | V | 73.5 | Confident | 70.1 | Confident | 12 Ų | 12 | 42 Ų | 42 | 7% | 0.073 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.1 | -44.2 | 178.9 | 174.3 | 0 | 0 | 0 | 0 | 112 | Y343 V344 M350 T351 Y376 | Y343-V347 HydrophobicContact CD1-CG2 4.21Å; Y343-V347 HydrophobicContact CE1-CG2 3.86Å; Y343-V347 HydrophobicContact CE2-CG2 4.31Å; Y343-V347 VanDerWaalsContact O-CG2 3.23Å; Y343-V347 WeakPolarHBondContact O-CG2 3.31Å; Y343-V347 PolarHBondContact O-N 3.01Å; V344-V347 PolarHBondContact O-N 3.36Å; V347-M350 HydrophobicContact CB-CE 4.49Å; V347-M350 HydrophobicContact CG2-CE 4.07Å; V347-M350 PolarHBondContact O-N 2.78Å; V347-T351 PolarHBondContact O-N 3.41Å; V347-T351 PolarHBondContact O-OG1 2.96Å; V347-Y376 HydrophobicContact CG2-CE2 4.38Å; V347-Y376 WeakPolarHBondContact CG2-OH 3.4Å |
| 348 | E | 74.7 | Confident | 70 | Confident | 86 Ų | 86 | 36.7 Ų | 36.7 | 40% | 0.402 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.4 | -47.4 | 174.1 | -72.9 | -65.9 | 153.7 | 0 | 0 | 110.4 | V344 M350 T351 Y352 | V344-E348 HydrophobicContact CG1-CG 4.25Å; V344-E348 WeakPolarHBondContact O-CB 3.45Å; V344-E348 WeakPolarHBondContact O-CG 3.45Å; V344-E348 PolarHBondContact O-N 2.96Å; E348-M350 VanDerWaalsContact C-N 3.32Å; E348-M350 PolarHBondContact O-N 3.25Å; E348-T351 PolarHBondContact O-N 3.31Å; E348-Y352 VanDerWaalsContact O-CD2 3.25Å; E348-Y352 WeakPolarHBondContact O-CD2 3.42Å; E348-Y352 PolarHBondContact O-N 3.41Å |
| 349 | T | 76.1 | Confident | 69.5 | Low | 4 Ų | 4 | 41 Ų | 41 | 3% | 0.025 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -58.1 | -46.1 | 177.7 | -53.5 | 0 | 0 | 0 | 0 | 111.4 | A286 L289 T290 M325 L345 L346 T351 Y353 | A286-T349 WeakPolarHBondContact CB-OG1 3.47Å; L289-T349 HydrophobicContact CB-CG2 4.05Å; T290-T349 HydrophobicContact CG2-CG2 4.16Å; M325-T349 HydrophobicContact CE-CG2 4.37Å; M325-T349 HydrophobicContact SD-CG2 4.23Å; L345-T349 WeakPolarHBondContact O-CB 3.33Å; L345-T349 PolarHBondContact O-N 2.81Å; L345-T349 PolarHBondContact O-OG1 2.95Å; L346-T349 PolarHBondContact O-N 2.85Å; T349-T351 VanDerWaalsContact C-N 3.32Å; T349-T351 PolarHBondContact O-N 2.94Å; T349-Y353 WeakPolarHBondContact O-CB 3.45Å; T349-Y353 PolarHBondContact O-N 3.41Å |
| 350 | M | 73.7 | Confident | 68.9 | Low | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | 175.5 | -75.2 | -171.4 | -53.1 | 0 | 0 | 112.4 | M325 L326 I329 L346 V347 E348 Y353 L354 Y376 F396 | M325-M350 HydrophobicContact CB-CG 4.23Å; M325-M350 HydrophobicContact CB-SD 4.07Å; M325-M350 HydrophobicContact CE-CG 3.78Å; M325-M350 HydrophobicContact SD-CG 4.13Å; L326-M350 HydrophobicContact CD2-CE 4.44Å; L326-M350 HydrophobicContact CD2-SD 3.61Å; L326-M350 HydrophobicContact CG-SD 3.93Å; I329-M350 HydrophobicContact CD1-CE 3.23Å; I329-M350 HydrophobicContact CD1-SD 3.89Å; L346-M350 WeakPolarHBondContact O-CB 3.29Å; L346-M350 VanDerWaalsContact O-CG 3.22Å; L346-M350 WeakPolarHBondContact O-CG 3.1Å; L346-M350 PolarHBondContact O-N 3.24Å; V347-M350 HydrophobicContact CB-CE 4.49Å; V347-M350 HydrophobicContact CG2-CE 4.07Å; V347-M350 PolarHBondContact O-N 2.78Å; E348-M350 VanDerWaalsContact C-N 3.32Å; E348-M350 PolarHBondContact O-N 3.25Å; M350-Y353 WeakPolarHBondContact O-CB 3.33Å; M350-Y353 PolarHBondContact O-N 3.26Å; M350-L354 WeakPolarHBondContact O-CB 3.03Å; M350-L354 WeakPolarHBondContact O-CG 3.05Å; M350-L354 PolarHBondContact O-N 2.62Å; M350-Y376 HydrophobicContact CE-CE1 4.48Å; M350-F396 HydrophobicContact CB-CE2 4.09Å; M350-F396 HydrophobicContact CE-CD2 4.45Å; M350-F396 HydrophobicContact CE-CE2 3.82Å; M350-F396 HydrophobicContact SD-CE2 4.28Å |
| 351 | T | 69.6 | Low | 68.6 | Low | 30 Ų | 30 | 36.9 Ų | 36.9 | 18% | 0.184 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.2 | -46.8 | -177.6 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | V347 E348 T349 Y353 L354 R355 | V347-T351 PolarHBondContact O-N 3.41Å; V347-T351 PolarHBondContact O-OG1 2.96Å; E348-T351 PolarHBondContact O-N 3.31Å; T349-T351 VanDerWaalsContact C-N 3.32Å; T349-T351 PolarHBondContact O-N 2.94Å; T351-Y353 VanDerWaalsContact C-N 3.33Å; T351-L354 PolarHBondContact O-N 3.49Å; T351-R355 PolarHBondContact O-N 3.47Å |
| 352 | Y | 68.9 | Low | 68 | Low | 103 Ų | 103 | 38.5 Ų | 38.5 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 173 | -72.8 | -76.7 | 0 | 0 | 0 | 111.4 | T290 E348 L354 | T290-Y352 HydrophobicContact CG2-CD2 3.87Å; T290-Y352 HydrophobicContact CG2-CG 4.27Å; E348-Y352 VanDerWaalsContact O-CD2 3.25Å; E348-Y352 WeakPolarHBondContact O-CD2 3.42Å; E348-Y352 PolarHBondContact O-N 3.41Å; Y352-L354 PolarHBondContact O-N 3.26Å |
| 353 | Y | 67.4 | Low | 67.3 | Low | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56 | -53.4 | 175.8 | -177.6 | -73.4 | 0 | 0 | 0 | 111.4 | L318 I319 T322 T349 M350 T351 R355 D356 A357 L361 | L318-Y353 HydrophobicContact CB-CE2 3.89Å; L318-Y353 HydrophobicContact CD1-CD2 3.51Å; L318-Y353 HydrophobicContact CD1-CE2 3.09Å; L318-Y353 HydrophobicContact CD2-CE2 4.29Å; L318-Y353 HydrophobicContact CG-CD2 3.99Å; L318-Y353 HydrophobicContact CG-CE2 3.11Å; L318-Y353 VanDerWaalsContact CG-CZ 3.41Å; L318-Y353 VanDerWaalsContact CG-OH 3.3Å; L318-Y353 WeakPolarHBondContact CG-OH 3.47Å; L318-Y353 WeakPolarHBondContact O-CE2 3.32Å; L318-Y353 VanDerWaalsContact O-CZ 3.29Å; L318-Y353 PolarHBondContact O-OH 3.17Å; I319-Y353 VanDerWaalsContact CA-OH 3.27Å; I319-Y353 WeakPolarHBondContact CA-OH 3.31Å; I319-Y353 PolarHBondContact N-OH 3.41Å; T322-Y353 HydrophobicContact CG2-CD1 4.11Å; T322-Y353 HydrophobicContact CG2-CE1 3.87Å; T322-Y353 WeakPolarHBondContact OG1-CD1 3.31Å; T322-Y353 VanDerWaalsContact OG1-CD2 3.24Å; T322-Y353 WeakPolarHBondContact OG1-CD2 3.48Å; T322-Y353 WeakPolarHBondContact OG1-CE1 3.41Å; T322-Y353 WeakPolarHBondContact OG1-CE2 3.25Å; T349-Y353 WeakPolarHBondContact O-CB 3.45Å; T349-Y353 PolarHBondContact O-N 3.41Å; M350-Y353 WeakPolarHBondContact O-CB 3.33Å; M350-Y353 PolarHBondContact O-N 3.26Å; T351-Y353 VanDerWaalsContact C-N 3.33Å; Y353-R355 PolarHBondContact O-N 3.1Å; Y353-D356 PolarHBondContact O-N 2.88Å; Y353-A357 HydrophobicContact CD1-CB 3.71Å; Y353-A357 HydrophobicContact CE1-CB 3.43Å; Y353-A357 VanDerWaalsContact CE1-CB 3.43Å; Y353-A357 HydrophobicContact CG-CB 4.4Å; Y353-A357 WeakPolarHBondContact O-CA 3.13Å; Y353-A357 WeakPolarHBondContact O-CB 3.3Å; Y353-A357 PolarHBondContact O-N 3.25Å; Y353-L361 HydrophobicContact CE1-CD1 4.16Å |
| 354 | L | 66.4 | Low | 66.7 | Low | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.2 | -45.6 | -173.4 | -71.9 | 173.4 | 0 | 0 | 0 | 111.1 | M350 T351 Y352 D356 F358 M373 F396 P399 V400 | M350-L354 WeakPolarHBondContact O-CB 3.03Å; M350-L354 WeakPolarHBondContact O-CG 3.05Å; M350-L354 PolarHBondContact O-N 2.62Å; T351-L354 PolarHBondContact O-N 3.49Å; Y352-L354 PolarHBondContact O-N 3.26Å; L354-D356 VanDerWaalsContact C-N 3.26Å; L354-D356 PolarHBondContact O-N 3.34Å; L354-F358 HydrophobicContact CB-CD2 4.36Å; L354-F358 HydrophobicContact CB-CE2 4.27Å; L354-F358 HydrophobicContact CD2-CE2 4.09Å; L354-F358 WeakPolarHBondContact O-CB 3.41Å; L354-F358 WeakPolarHBondContact O-CD2 3.31Å; L354-F358 PolarHBondContact O-N 3.12Å; L354-F358 VanDerWaalsContact O-N 3.1Å; L354-M373 HydrophobicContact CD1-SD 4.12Å; L354-M373 HydrophobicContact CD2-CE 3.22Å; L354-M373 HydrophobicContact CD2-SD 3.53Å; L354-M373 VanDerWaalsContact CD2-SD 3.53Å; L354-F396 HydrophobicContact CD1-CD2 3.86Å; L354-F396 HydrophobicContact CD1-CE1 4.49Å; L354-F396 HydrophobicContact CD1-CE2 3.34Å; L354-F396 HydrophobicContact CD1-CZ 3.71Å; L354-P399 HydrophobicContact CB-CB 4.1Å; L354-P399 HydrophobicContact CB-CG 3.81Å; L354-V400 HydrophobicContact CD1-CG2 3.86Å |
| 355 | R | 65.2 | Low | 66.1 | Low | 112 Ų | 112 | 44.2 Ų | 44.2 | 42% | 0.423 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -51.3 | -47.5 | -177.7 | -172.4 | -173 | 67.9 | -161.9 | -5.4 | 112.5 | T351 Y353 P399 | T351-R355 PolarHBondContact O-N 3.47Å; Y353-R355 PolarHBondContact O-N 3.1Å; R355-P399 HydrophobicContact CB-CB 4.33Å |
| 356 | D | 61.5 | Low | 65.4 | Low | 29 Ų | 29 | 43.8 Ų | 43.8 | 16% | 0.155 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -97.8 | -31.6 | -171.1 | -61.7 | -13.8 | 0 | 0 | 0 | 110.9 | P293 Y353 L354 F358 D359 L360 | P293-D356 HydrophobicContact CB-CB 3.19Å; P293-D356 HydrophobicContact CG-CB 4.28Å; Y353-D356 PolarHBondContact O-N 2.88Å; L354-D356 VanDerWaalsContact C-N 3.26Å; L354-D356 PolarHBondContact O-N 3.34Å; D356-F358 VanDerWaalsContact C-N 3.26Å; D356-F358 PolarHBondContact O-N 3.14Å; D356-D359 PolarHBondContact O-N 3.42Å; D356-L360 WeakPolarHBondContact O-CG 3.46Å; D356-L360 PolarHBondContact O-N 2.92Å |
| 357 | A | 60 | Low | 64.7 | Low | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.9 | -26.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y353 D359 L360 L361 | Y353-A357 HydrophobicContact CD1-CB 3.71Å; Y353-A357 HydrophobicContact CE1-CB 3.43Å; Y353-A357 VanDerWaalsContact CE1-CB 3.43Å; Y353-A357 HydrophobicContact CG-CB 4.4Å; Y353-A357 WeakPolarHBondContact O-CA 3.13Å; Y353-A357 WeakPolarHBondContact O-CB 3.3Å; Y353-A357 PolarHBondContact O-N 3.25Å; A357-D359 PolarHBondContact O-N 3.04Å; A357-L360 PolarHBondContact O-N 3.48Å; A357-L361 HydrophobicContact CB-CD1 3.6Å; A357-L361 HydrophobicContact CB-CG 3.84Å; A357-L361 WeakPolarHBondContact O-CB 3.35Å; A357-L361 WeakPolarHBondContact O-CG 3.46Å; A357-L361 PolarHBondContact O-N 3.28Å |
| 358 | F | 59.7 | Low | 64.4 | Low | 16 Ų | 16 | 51.6 Ų | 51.6 | 7% | 0.07 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61 | -32.1 | 174.3 | -96.6 | -68.3 | 0 | 0 | 0 | 113.7 | L354 D356 L366 I370 P399 V400 H403 | L354-F358 HydrophobicContact CB-CD2 4.36Å; L354-F358 HydrophobicContact CB-CE2 4.27Å; L354-F358 HydrophobicContact CD2-CE2 4.09Å; L354-F358 WeakPolarHBondContact O-CB 3.41Å; L354-F358 WeakPolarHBondContact O-CD2 3.31Å; L354-F358 PolarHBondContact O-N 3.12Å; L354-F358 VanDerWaalsContact O-N 3.1Å; D356-F358 VanDerWaalsContact C-N 3.26Å; D356-F358 PolarHBondContact O-N 3.14Å; F358-L366 HydrophobicContact CD1-CD1 3.6Å; F358-L366 HydrophobicContact CD1-CD2 3.92Å; F358-L366 HydrophobicContact CD1-CG 4.33Å; F358-L366 HydrophobicContact CE1-CD1 4.01Å; F358-L366 HydrophobicContact CE1-CD2 3.85Å; F358-L366 HydrophobicContact CE1-CG 4.36Å; F358-L366 HydrophobicContact CG-CD1 4.44Å; F358-L366 HydrophobicContact CG-CD2 4.41Å; F358-L366 HydrophobicContact CZ-CD2 4.26Å; F358-I370 HydrophobicContact CE1-CD1 4.36Å; F358-I370 HydrophobicContact CZ-CG1 4.49Å; F358-P399 HydrophobicContact CD2-CB 4.2Å; F358-P399 HydrophobicContact CE2-CB 4.5Å; F358-P399 WeakPolarHBondContact CE2-O 3.42Å; F358-V400 HydrophobicContact CE2-CB 4.42Å; F358-V400 HydrophobicContact CE2-CG2 4.26Å; F358-V400 HydrophobicContact CZ-CB 4.49Å; F358-H403 HydrophobicContact CB-CB 3.28Å; F358-H403 HydrophobicContact CD1-CB 3.4Å; F358-H403 HydrophobicContact CD2-CB 3.85Å; F358-H403 HydrophobicContact CE1-CB 4.19Å; F358-H403 HydrophobicContact CG-CB 3.24Å; F358-H403 AromaticContact CG-CG 3.92Å |
| 359 | D | 58.8 | Low | 64.1 | Low | 119 Ų | 119 | 47.8 Ų | 47.8 | 64% | 0.636 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -82.9 | -23.9 | 177.7 | -67 | -18.3 | 0 | 0 | 0 | 111.8 | D356 A357 H403 | D356-D359 PolarHBondContact O-N 3.42Å; A357-D359 PolarHBondContact O-N 3.04Å; D359-H403 IonicContact OD1-CE1 3.49Å; D359-H403 PolarHBondContact OD1-CE1 3.31Å; D359-H403 IonicContact OD1-ND1 3.54Å; D359-H403 PolarHBondContact OD1-ND1 3Å; D359-H403 IonicContact OD2-CE1 3.01Å |
| 360 | L | 58 | Low | 63.9 | Low | 25 Ų | 25 | 47.7 Ų | 47.7 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -96.2 | -32.8 | -174.8 | -63.1 | 173 | 0 | 0 | 0 | 115 | P293 L296 L300 D356 A357 | P293-L360 HydrophobicContact CB-CD1 4.34Å; P293-L360 WeakPolarHBondContact O-CD1 3.32Å; L296-L360 HydrophobicContact CB-CD1 3.86Å; L300-L360 HydrophobicContact CD1-CD2 3.29Å; D356-L360 WeakPolarHBondContact O-CG 3.46Å; D356-L360 PolarHBondContact O-N 2.92Å; A357-L360 PolarHBondContact O-N 3.48Å |
| 361 | L | 59.8 | Low | 63.8 | Low | 12 Ų | 12 | 50.9 Ų | 50.9 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -83.5 | 140.2 | -169.9 | -64.4 | 178.6 | 0 | 0 | 0 | 111.4 | I315 L318 I319 Y353 A357 K363 L366 | I315-L361 HydrophobicContact CB-CD2 4.33Å; I315-L361 HydrophobicContact CG1-CD2 4.45Å; I315-L361 HydrophobicContact CG2-CD2 3.65Å; L318-L361 HydrophobicContact CD2-CD2 4.21Å; I319-L361 HydrophobicContact CD1-CD1 4.45Å; I319-L361 HydrophobicContact CD1-CD2 3.65Å; I319-L361 HydrophobicContact CD1-CG 4.48Å; I319-L361 HydrophobicContact CG1-CD1 3.79Å; I319-L361 HydrophobicContact CG1-CD2 3.53Å; I319-L361 HydrophobicContact CG1-CG 4.24Å; Y353-L361 HydrophobicContact CE1-CD1 4.16Å; A357-L361 HydrophobicContact CB-CD1 3.6Å; A357-L361 HydrophobicContact CB-CG 3.84Å; A357-L361 WeakPolarHBondContact O-CB 3.35Å; A357-L361 WeakPolarHBondContact O-CG 3.46Å; A357-L361 PolarHBondContact O-N 3.28Å; L361-K363 PolarHBondContact O-N 3.47Å; L361-L366 HydrophobicContact CB-CD1 3.94Å; L361-L366 HydrophobicContact CB-CD2 4.27Å; L361-L366 HydrophobicContact CB-CG 3.82Å; L361-L366 HydrophobicContact CD1-CD2 3.64Å; L361-L366 HydrophobicContact CD1-CG 4.06Å |
| 362 | D | 59.2 | Low | 64 | Low | 105 Ų | 105 | 52.8 Ų | 52.8 | 56% | 0.561 | 28% | 0.278 | S | S | * | . | trans | -52 | 126.9 | 167.4 | -174.9 | -29.2 | 0 | 0 | 0 | 109.1 | G364 L365 L366 | D362-G364 PolarHBondContact O-N 3.45Å; D362-G364 PolarHBondContact OD1-N 3.23Å; D362-L365 HydrophobicContact CB-CD1 3.9Å; D362-L365 HydrophobicContact CB-CG 4.28Å; D362-L365 WeakPolarHBondContact O-CB 3.47Å; D362-L365 PolarHBondContact O-N 3.03Å; D362-L366 PolarHBondContact O-N 3.33Å | ||
| 363 | K | 59.1 | Low | 64.3 | Low | 139 Ų | 139 | 48 Ų | 48 | 60% | 0.604 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -45.4 | -37.3 | 177.6 | -68.2 | -180 | 169.6 | -175.7 | 0 | 112.4 | L361 L365 M367 F407 | L361-K363 PolarHBondContact O-N 3.47Å; K363-L365 VanDerWaalsContact C-N 3.34Å; K363-L365 PolarHBondContact O-N 2.74Å; K363-M367 WeakPolarHBondContact O-CG 3.33Å; K363-M367 PolarHBondContact O-N 2.89Å; K363-F407 HydrophobicContact CB-CE1 3.87Å; K363-F407 HydrophobicContact CB-CZ 3.65Å; K363-F407 HydrophobicContact CD-CE1 4.31Å; K363-F407 HydrophobicContact CD-CZ 3.73Å; K363-F407 HydrophobicContact CG-CE1 4.27Å; K363-F407 HydrophobicContact CG-CE2 4.45Å; K363-F407 HydrophobicContact CG-CZ 3.59Å |
| 364 | G | 60 | Low | 64.7 | Low | 45 Ų | 45 | 48 Ų | 48 | 46% | 0.464 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -66.2 | -31.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | D362 | D362-G364 PolarHBondContact O-N 3.45Å; D362-G364 PolarHBondContact OD1-N 3.23Å |
| 365 | L | 59 | Low | 65.1 | Low | 67 Ų | 67 | 51.6 Ų | 51.6 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -79.3 | -37.9 | -178.6 | -65.7 | 164.2 | 0 | 0 | 0 | 111.5 | I315 I319 D362 K363 M367 A368 | I315-L365 HydrophobicContact CG2-CD1 4.38Å; I319-L365 HydrophobicContact CD1-CB 3.38Å; I319-L365 HydrophobicContact CD1-CD1 3.2Å; I319-L365 HydrophobicContact CD1-CD2 4.13Å; I319-L365 HydrophobicContact CD1-CG 3.7Å; I319-L365 HydrophobicContact CG1-CB 4.3Å; D362-L365 HydrophobicContact CB-CD1 3.9Å; D362-L365 HydrophobicContact CB-CG 4.28Å; D362-L365 WeakPolarHBondContact O-CB 3.47Å; D362-L365 PolarHBondContact O-N 3.03Å; K363-L365 VanDerWaalsContact C-N 3.34Å; K363-L365 PolarHBondContact O-N 2.74Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 3.42Å; L365-A368 PolarHBondContact O-N 3.36Å |
| 366 | L | 62.9 | Low | 65.6 | Low | 6 Ų | 6 | 46.4 Ų | 46.4 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -38.9 | 173.5 | -74.7 | 163.6 | 0 | 0 | 0 | 112.3 | F358 L361 D362 A368 A369 I370 | F358-L366 HydrophobicContact CD1-CD1 3.6Å; F358-L366 HydrophobicContact CD1-CD2 3.92Å; F358-L366 HydrophobicContact CD1-CG 4.33Å; F358-L366 HydrophobicContact CE1-CD1 4.01Å; F358-L366 HydrophobicContact CE1-CD2 3.85Å; F358-L366 HydrophobicContact CE1-CG 4.36Å; F358-L366 HydrophobicContact CG-CD1 4.44Å; F358-L366 HydrophobicContact CG-CD2 4.41Å; F358-L366 HydrophobicContact CZ-CD2 4.26Å; L361-L366 HydrophobicContact CB-CD1 3.94Å; L361-L366 HydrophobicContact CB-CD2 4.27Å; L361-L366 HydrophobicContact CB-CG 3.82Å; L361-L366 HydrophobicContact CD1-CD2 3.64Å; L361-L366 HydrophobicContact CD1-CG 4.06Å; D362-L366 PolarHBondContact O-N 3.33Å; L366-A368 PolarHBondContact O-N 2.99Å; L366-A368 VanDerWaalsContact O-N 3.11Å; L366-A369 PolarHBondContact O-N 3.05Å; L366-I370 HydrophobicContact CB-CD1 4.37Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 3.33Å |
| 367 | M | 64.3 | Low | 66.4 | Low | 104 Ų | 104 | 45.1 Ų | 45.1 | 51% | 0.512 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -53.6 | -33.4 | 179 | -77.1 | -179.9 | 69.7 | 0 | 0 | 113.6 | K363 L365 P371 F407 | K363-M367 WeakPolarHBondContact O-CG 3.33Å; K363-M367 PolarHBondContact O-N 2.89Å; L365-M367 VanDerWaalsContact C-N 3.32Å; L365-M367 PolarHBondContact O-N 3.42Å; M367-P371 WeakPolarHBondContact O-CD 3.45Å; M367-F407 HydrophobicContact CG-CB 4.11Å; M367-F407 HydrophobicContact CG-CD1 3.6Å; M367-F407 HydrophobicContact CG-CE1 4.36Å; M367-F407 HydrophobicContact CG-CG 4.01Å; M367-F407 HydrophobicContact SD-CD1 3.93Å; M367-F407 HydrophobicContact SD-CE1 4.46Å |
| 368 | A | 67.6 | Low | 67.2 | Low | 73 Ų | 73 | 47.7 Ų | 47.7 | 60% | 0.603 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -76 | -30.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L365 L366 | L365-A368 PolarHBondContact O-N 3.36Å; L366-A368 PolarHBondContact O-N 2.99Å; L366-A368 VanDerWaalsContact O-N 3.11Å |
| 369 | A | 68.8 | Low | 68 | Low | 6 Ų | 6 | 48.7 Ų | 48.7 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -89.6 | -27.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L326 L366 K372 M373 | L326-A369 HydrophobicContact CD1-CB 4.05Å; L366-A369 PolarHBondContact O-N 3.05Å; A369-K372 WeakPolarHBondContact O-CA 3.46Å; A369-K372 WeakPolarHBondContact O-CB 3.47Å; A369-K372 PolarHBondContact O-N 2.89Å; A369-M373 HydrophobicContact CB-CE 3.63Å; A369-M373 WeakPolarHBondContact O-CG 3.28Å; A369-M373 PolarHBondContact O-N 3.09Å |
| 370 | I | 71.9 | Confident | 68.6 | Low | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.3 | -48.6 | -178 | -79.9 | 169.9 | 0 | 0 | 0 | 114.1 | F358 L366 K372 M373 F374 F407 L408 | F358-I370 HydrophobicContact CE1-CD1 4.36Å; F358-I370 HydrophobicContact CZ-CG1 4.49Å; L366-I370 HydrophobicContact CB-CD1 4.37Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 3.33Å; I370-K372 PolarHBondContact O-N 3.4Å; I370-M373 WeakPolarHBondContact O-CB 3.5Å; I370-M373 PolarHBondContact O-N 3.24Å; I370-M373 VanDerWaalsContact O-N 3.13Å; I370-F374 PolarHBondContact O-N 3.35Å; I370-F374 VanDerWaalsContact O-N 3.13Å; I370-F407 HydrophobicContact CD1-CB 3.69Å; I370-F407 HydrophobicContact CD1-CD2 4.12Å; I370-F407 HydrophobicContact CD1-CG 4.22Å; I370-L408 HydrophobicContact CG2-CD2 3.18Å; I370-L408 HydrophobicContact CG2-CG 4.04Å |
| 371 | P | 72.3 | Confident | 69.5 | Low | 68 Ų | 68 | 43.7 Ų | 43.7 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -35.5 | 177.8 | -26 | 35.3 | 0 | 0 | 0 | 112.7 | M367 F374 L375 | M367-P371 WeakPolarHBondContact O-CD 3.45Å; P371-F374 PolarHBondContact O-N 2.97Å; P371-L375 WeakPolarHBondContact O-CB 3.05Å; P371-L375 PolarHBondContact O-N 3.29Å |
| 372 | K | 74.1 | Confident | 70.2 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 30% | 0.3 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.7 | -43.7 | 175.5 | -67 | -177.5 | 178.1 | -176 | 0 | 110.9 | L326 V327 I330 A369 I370 F374 L375 Y376 | L326-K372 HydrophobicContact CB-CB 4.27Å; L326-K372 HydrophobicContact CD1-CB 4.24Å; V327-K372 HydrophobicContact CG2-CD 4.15Å; I330-K372 HydrophobicContact CD1-CB 3.53Å; I330-K372 HydrophobicContact CD1-CG 4.25Å; I330-K372 WeakPolarHBondContact CD1-O 3.33Å; A369-K372 WeakPolarHBondContact O-CA 3.46Å; A369-K372 WeakPolarHBondContact O-CB 3.47Å; A369-K372 PolarHBondContact O-N 2.89Å; I370-K372 PolarHBondContact O-N 3.4Å; K372-F374 VanDerWaalsContact C-N 3.27Å; K372-F374 PolarHBondContact O-N 2.9Å; K372-L375 PolarHBondContact O-N 3.17Å; K372-Y376 WeakPolarHBondContact O-CB 3.44Å; K372-Y376 PolarHBondContact O-N 3.47Å |
| 373 | M | 74.7 | Confident | 70.9 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 176.4 | -62.4 | 173.1 | -163.9 | 0 | 0 | 112.5 | T322 L326 L354 A369 I370 Y376 Y377 F396 V400 | T322-M373 HydrophobicContact CG2-CE 4.46Å; L326-M373 HydrophobicContact CD1-CE 3.92Å; L326-M373 HydrophobicContact CD1-CG 3.66Å; L326-M373 HydrophobicContact CD2-CB 4.49Å; L326-M373 HydrophobicContact CD2-CG 3.84Å; L326-M373 HydrophobicContact CG-CG 4.42Å; L354-M373 HydrophobicContact CD1-SD 4.12Å; L354-M373 HydrophobicContact CD2-CE 3.22Å; L354-M373 HydrophobicContact CD2-SD 3.53Å; L354-M373 VanDerWaalsContact CD2-SD 3.53Å; A369-M373 HydrophobicContact CB-CE 3.63Å; A369-M373 WeakPolarHBondContact O-CG 3.28Å; A369-M373 PolarHBondContact O-N 3.09Å; I370-M373 WeakPolarHBondContact O-CB 3.5Å; I370-M373 PolarHBondContact O-N 3.24Å; I370-M373 VanDerWaalsContact O-N 3.13Å; M373-Y376 WeakPolarHBondContact O-CB 3.2Å; M373-Y377 PolarHBondContact O-N 3.41Å; M373-F396 HydrophobicContact CB-CE1 4.07Å; M373-F396 HydrophobicContact CB-CZ 3.97Å; M373-F396 HydrophobicContact CG-CZ 4.08Å; M373-V400 HydrophobicContact CB-CG2 4.42Å; M373-V400 HydrophobicContact SD-CG1 4.37Å; M373-V400 HydrophobicContact SD-CG2 3.81Å |
| 374 | F | 75.2 | Confident | 71.1 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 3% | 0.031 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.3 | -43.3 | 175.4 | -95.3 | -91.1 | 0 | 0 | 0 | 113 | I370 P371 K372 Y376 Y377 E378 M397 V400 L408 N412 | I370-F374 PolarHBondContact O-N 3.35Å; I370-F374 VanDerWaalsContact O-N 3.13Å; P371-F374 PolarHBondContact O-N 2.97Å; K372-F374 VanDerWaalsContact C-N 3.27Å; K372-F374 PolarHBondContact O-N 2.9Å; F374-Y376 VanDerWaalsContact C-N 3.28Å; F374-Y376 PolarHBondContact O-N 3.01Å; F374-Y377 WeakPolarHBondContact O-CB 3.25Å; F374-Y377 PolarHBondContact O-N 3.15Å; F374-E378 PolarHBondContact O-N 3.17Å; F374-M397 HydrophobicContact CD1-CE 4.17Å; F374-M397 HydrophobicContact CD2-CE 4Å; F374-M397 HydrophobicContact CE1-CE 3.61Å; F374-M397 HydrophobicContact CE2-CE 3.35Å; F374-M397 HydrophobicContact CG-CE 4.37Å; F374-M397 HydrophobicContact CZ-CE 3.19Å; F374-V400 HydrophobicContact CD2-CG1 4.23Å; F374-V400 HydrophobicContact CE2-CG1 3.69Å; F374-L408 HydrophobicContact CD2-CD2 3.35Å; F374-L408 HydrophobicContact CE2-CD1 3.55Å; F374-L408 HydrophobicContact CE2-CD2 2.95Å; F374-L408 HydrophobicContact CE2-CG 3.88Å; F374-L408 HydrophobicContact CG-CD2 4.39Å; F374-L408 HydrophobicContact CZ-CD1 3.79Å; F374-L408 HydrophobicContact CZ-CD2 3.69Å; F374-L408 HydrophobicContact CZ-CG 4.36Å; F374-N412 WeakPolarHBondContact CB-ND2 3.21Å; F374-N412 HydrophobicContact CD1-CB 3.51Å; F374-N412 HydrophobicContact CD2-CB 4.38Å; F374-N412 HydrophobicContact CE1-CB 3.65Å; F374-N412 VanDerWaalsContact CE1-O 3.22Å; F374-N412 WeakPolarHBondContact CE1-O 3.29Å; F374-N412 HydrophobicContact CG-CB 3.88Å; F374-N412 WeakPolarHBondContact CG-ND2 3.45Å; F374-N412 HydrophobicContact CZ-CB 4.15Å |
| 375 | L | 75.8 | Confident | 71.6 | Confident | 78 Ų | 78 | 48.9 Ų | 48.9 | 41% | 0.408 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -62 | -39.2 | 176.4 | -179.1 | 58.8 | 0 | 0 | 0 | 111.7 | I330 P371 K372 T379 | I330-L375 HydrophobicContact CG2-CD2 3.52Å; I330-L375 HydrophobicContact CG2-CG 3.86Å; P371-L375 WeakPolarHBondContact O-CB 3.05Å; P371-L375 PolarHBondContact O-N 3.29Å; K372-L375 PolarHBondContact O-N 3.17Å; L375-T379 VanDerWaalsContact O-CB 3.26Å; L375-T379 WeakPolarHBondContact O-CB 3.43Å; L375-T379 PolarHBondContact O-N 2.96Å; L375-T379 PolarHBondContact O-OG1 3.31Å |
| 376 | Y | 75.6 | Confident | 72.5 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -57.2 | -54.2 | 170.9 | 163.6 | -108.3 | 0 | 0 | 0 | 110.8 | I329 Y343 V347 M350 K372 M373 F374 E378 T379 E380 L393 F396 | I329-Y376 HydrophobicContact CB-CD2 4.15Å; I329-Y376 HydrophobicContact CB-CE2 4.38Å; I329-Y376 HydrophobicContact CG2-CD2 3.29Å; I329-Y376 HydrophobicContact CG2-CE2 3.26Å; Y343-Y376 AromaticContact CE2-CE2 3.76Å; Y343-Y376 HydrophobicContact CE2-CE2 3.76Å; Y343-Y376 AromaticContact CZ-CE2 3.96Å; Y343-Y376 VanDerWaalsContact CZ-OH 3.3Å; Y343-Y376 PolarHBondContact OH-OH 3.13Å; V347-Y376 HydrophobicContact CG2-CE2 4.38Å; V347-Y376 WeakPolarHBondContact CG2-OH 3.4Å; M350-Y376 HydrophobicContact CE-CE1 4.48Å; K372-Y376 WeakPolarHBondContact O-CB 3.44Å; K372-Y376 PolarHBondContact O-N 3.47Å; M373-Y376 WeakPolarHBondContact O-CB 3.2Å; F374-Y376 VanDerWaalsContact C-N 3.28Å; F374-Y376 PolarHBondContact O-N 3.01Å; Y376-E378 PolarHBondContact O-N 2.93Å; Y376-T379 PolarHBondContact O-N 3Å; Y376-E380 HydrophobicContact CD2-CG 3.68Å; Y376-E380 HydrophobicContact CE2-CB 4.45Å; Y376-E380 HydrophobicContact CE2-CG 3.27Å; Y376-E380 WeakPolarHBondContact O-CB 3.46Å; Y376-E380 VanDerWaalsContact O-CG 3.27Å; Y376-E380 WeakPolarHBondContact O-CG 3.37Å; Y376-E380 PolarHBondContact O-N 3.44Å; Y376-L393 HydrophobicContact CE1-CD2 4.27Å; Y376-F396 HydrophobicContact CD1-CD1 4.02Å; Y376-F396 AromaticContact CD1-CE1 3.52Å; Y376-F396 HydrophobicContact CD1-CE1 3.52Å; Y376-F396 HydrophobicContact CD1-CE2 4.19Å; Y376-F396 AromaticContact CD1-CZ 3.61Å; Y376-F396 HydrophobicContact CD1-CZ 3.61Å; Y376-F396 AromaticContact CE1-CD1 3.91Å; Y376-F396 HydrophobicContact CE1-CD1 3.91Å; Y376-F396 HydrophobicContact CE1-CD2 4.15Å; Y376-F396 AromaticContact CE1-CE1 3.85Å; Y376-F396 HydrophobicContact CE1-CE1 3.85Å; Y376-F396 HydrophobicContact CE1-CE2 4.07Å; Y376-F396 HydrophobicContact CE1-CG 4.06Å; Y376-F396 AromaticContact CE1-CZ 3.93Å; Y376-F396 HydrophobicContact CE1-CZ 3.93Å |
| 377 | Y | 77.5 | Confident | 73.3 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 179.1 | 169 | -98 | 0 | 0 | 0 | 112.7 | M373 F374 E380 F381 F390 L393 M397 Y416 M419 | M373-Y377 PolarHBondContact O-N 3.41Å; F374-Y377 WeakPolarHBondContact O-CB 3.25Å; F374-Y377 PolarHBondContact O-N 3.15Å; Y377-E380 PolarHBondContact O-N 2.87Å; Y377-F381 WeakPolarHBondContact O-CB 3.34Å; Y377-F381 PolarHBondContact O-N 3.05Å; Y377-F390 WeakPolarHBondContact OH-CE2 3.28Å; Y377-L393 HydrophobicContact CD2-CB 3.77Å; Y377-L393 HydrophobicContact CD2-CD1 4.36Å; Y377-L393 HydrophobicContact CD2-CD2 4.18Å; Y377-L393 HydrophobicContact CD2-CG 4.33Å; Y377-L393 HydrophobicContact CE2-CB 3.71Å; Y377-L393 HydrophobicContact CE2-CD1 4.39Å; Y377-M397 HydrophobicContact CD1-CG 4.39Å; Y377-M397 HydrophobicContact CD1-SD 4.41Å; Y377-M397 HydrophobicContact CD2-CG 3.26Å; Y377-M397 HydrophobicContact CD2-SD 3.94Å; Y377-M397 HydrophobicContact CE2-CG 3.64Å; Y377-M397 HydrophobicContact CG-CG 3.7Å; Y377-M397 HydrophobicContact CG-SD 3.76Å; Y377-Y416 AromaticContact CE1-CD2 3.83Å; Y377-Y416 HydrophobicContact CE1-CD2 3.83Å; Y377-Y416 HydrophobicContact CE2-CD2 4.27Å; Y377-Y416 HydrophobicContact CE2-CE2 4.37Å; Y377-Y416 AromaticContact CZ-CD2 3.61Å; Y377-Y416 WeakPolarHBondContact OH-CD2 3.38Å; Y377-M419 HydrophobicContact CD1-SD 3.96Å; Y377-M419 HydrophobicContact CE1-SD 3.27Å; Y377-M419 WeakPolarHBondContact CE1-SD 3.39Å |
| 378 | E | 76.8 | Confident | 73.8 | Confident | 55 Ų | 55 | 46.5 Ų | 46.5 | 26% | 0.257 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -49 | 176.4 | 177.3 | -177.1 | -177 | 0 | 0 | 111.2 | F374 Y376 E380 F381 Q382 M419 | F374-E378 PolarHBondContact O-N 3.17Å; Y376-E378 PolarHBondContact O-N 2.93Å; E378-E380 VanDerWaalsContact C-N 3.33Å; E378-E380 PolarHBondContact O-N 3.35Å; E378-F381 PolarHBondContact O-N 3.28Å; E378-Q382 VanDerWaalsContact O-CG 3.29Å; E378-Q382 WeakPolarHBondContact O-CG 3.24Å; E378-Q382 PolarHBondContact O-N 3.07Å; E378-Q382 PolarHBondContact OE1-NE2 2.63Å; E378-M419 HydrophobicContact CB-CE 3.85Å; E378-M419 HydrophobicContact CG-CE 3.61Å |
| 379 | T | 76.8 | Confident | 74.1 | Confident | 37 Ų | 37 | 46 Ų | 46 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -44.3 | -178.6 | -61.5 | 0 | 0 | 0 | 0 | 111.4 | L375 Y376 Q382 K383 | L375-T379 VanDerWaalsContact O-CB 3.26Å; L375-T379 WeakPolarHBondContact O-CB 3.43Å; L375-T379 PolarHBondContact O-N 2.96Å; L375-T379 PolarHBondContact O-OG1 3.31Å; Y376-T379 PolarHBondContact O-N 3Å; T379-Q382 PolarHBondContact O-N 3.4Å; T379-K383 WeakPolarHBondContact O-CG 3.4Å; T379-K383 PolarHBondContact O-N 3.43Å |
| 380 | E | 72.3 | Confident | 74.7 | Confident | 23 Ų | 23 | 45.7 Ų | 45.7 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -73.9 | -36.9 | -178.3 | -65.7 | -59.1 | 130.9 | 0 | 0 | 112.7 | Y343 Y376 Y377 E378 Q382 K383 G384 L393 | Y343-E380 VanDerWaalsContact CE2-CD 3.43Å; Y343-E380 HydrophobicContact CE2-CG 4.13Å; Y343-E380 VanDerWaalsContact CE2-OE2 3.28Å; Y343-E380 WeakPolarHBondContact CE2-OE2 3.39Å; Y343-E380 WeakPolarHBondContact OH-CG 3.46Å; Y343-E380 PolarHBondContact OH-OE2 2.89Å; Y376-E380 HydrophobicContact CD2-CG 3.68Å; Y376-E380 HydrophobicContact CE2-CB 4.45Å; Y376-E380 HydrophobicContact CE2-CG 3.27Å; Y376-E380 WeakPolarHBondContact O-CB 3.46Å; Y376-E380 VanDerWaalsContact O-CG 3.27Å; Y376-E380 WeakPolarHBondContact O-CG 3.37Å; Y376-E380 PolarHBondContact O-N 3.44Å; Y377-E380 PolarHBondContact O-N 2.87Å; E378-E380 VanDerWaalsContact C-N 3.33Å; E378-E380 PolarHBondContact O-N 3.35Å; E380-Q382 PolarHBondContact O-N 2.98Å; E380-K383 PolarHBondContact O-N 3.1Å; E380-K383 VanDerWaalsContact O-N 3.12Å; E380-K383 IonicContact OE1-NZ 2.79Å; E380-K383 PolarHBondContact OE1-NZ 3.46Å; E380-G384 PolarHBondContact O-N 3.29Å; E380-L393 HydrophobicContact CB-CD1 4.12Å; E380-L393 HydrophobicContact CB-CD2 3.74Å |
| 381 | F | 74.9 | Confident | 75.1 | Confident | 15 Ų | 15 | 46.7 Ų | 46.7 | 7% | 0.066 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.8 | -32.2 | 170.9 | -175.3 | -96 | 0 | 0 | 0 | 112.5 | Y377 E378 G384 F390 L393 M419 I423 | Y377-F381 WeakPolarHBondContact O-CB 3.34Å; Y377-F381 PolarHBondContact O-N 3.05Å; E378-F381 PolarHBondContact O-N 3.28Å; F381-G384 CarbonylContact C-O 3.58Å; F381-F390 HydrophobicContact CD2-CD2 4.21Å; F381-F390 HydrophobicContact CE2-CD2 4.01Å; F381-L393 HydrophobicContact CB-CD1 4.09Å; F381-M419 HydrophobicContact CB-SD 4.04Å; F381-M419 HydrophobicContact CD1-CB 4.11Å; F381-M419 HydrophobicContact CD1-CE 4.32Å; F381-M419 HydrophobicContact CD1-CG 3.7Å; F381-M419 HydrophobicContact CD1-SD 3.66Å; F381-M419 HydrophobicContact CD2-CB 4.31Å; F381-M419 HydrophobicContact CD2-SD 4.47Å; F381-M419 HydrophobicContact CE1-CB 3.78Å; F381-M419 HydrophobicContact CE1-CG 3.65Å; F381-M419 HydrophobicContact CE1-SD 4.25Å; F381-M419 HydrophobicContact CE2-CB 3.98Å; F381-M419 HydrophobicContact CG-CB 4.36Å; F381-M419 HydrophobicContact CG-CG 4.23Å; F381-M419 HydrophobicContact CG-SD 3.79Å; F381-M419 HydrophobicContact CZ-CB 3.71Å; F381-M419 HydrophobicContact CZ-CG 4.14Å; F381-M419 WeakPolarHBondContact CZ-O 3.45Å; F381-I423 HydrophobicContact CE2-CD1 3.58Å; F381-I423 HydrophobicContact CE2-CG1 3.44Å; F381-I423 VanDerWaalsContact CE2-CG1 3.44Å; F381-I423 HydrophobicContact CZ-CD1 3.88Å; F381-I423 HydrophobicContact CZ-CG1 3.76Å |
| 382 | Q | 76.4 | Confident | 75.3 | Confident | 117 Ų | 117 | 46.1 Ų | 46.1 | 55% | 0.547 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.3 | -33.5 | 174.5 | -71.4 | 178.5 | 15.5 | 0 | 0 | 112.3 | E378 T379 E380 | E378-Q382 VanDerWaalsContact O-CG 3.29Å; E378-Q382 WeakPolarHBondContact O-CG 3.24Å; E378-Q382 PolarHBondContact O-N 3.07Å; E378-Q382 PolarHBondContact OE1-NE2 2.63Å; T379-Q382 PolarHBondContact O-N 3.4Å; E380-Q382 PolarHBondContact O-N 2.98Å |
| 383 | K | 72.2 | Confident | 75.4 | Confident | 127 Ų | 127 | 43.2 Ų | 43.2 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -73.8 | -40.9 | 178.1 | -69.6 | 172.8 | -173.5 | 168.1 | 0 | 112.8 | T379 E380 | T379-K383 WeakPolarHBondContact O-CG 3.4Å; T379-K383 PolarHBondContact O-N 3.43Å; E380-K383 PolarHBondContact O-N 3.1Å; E380-K383 VanDerWaalsContact O-N 3.12Å; E380-K383 IonicContact OE1-NZ 2.79Å; E380-K383 PolarHBondContact OE1-NZ 3.46Å |
| 384 | G | 65 | Low | 75.8 | Confident | 16 Ų | 16 | 43.1 Ų | 43.1 | 17% | 0.165 | 22% | 0.224 | C | C | . | . | trans | -127.1 | 129.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112 | E380 F381 D389 | E380-G384 PolarHBondContact O-N 3.29Å; F381-G384 CarbonylContact C-O 3.58Å; G384-D389 WeakPolarHBondContact CA-OD2 3.18Å | ||
| 385 | R | 70.1 | Confident | 75.9 | Confident | 150 Ų | 150 | 50.2 Ų | 50.2 | 57% | 0.566 | 25% | 0.25 | S | S | * | . | trans | -121.5 | 34 | 177 | -61.8 | -172.7 | -172.7 | -173.3 | 1.9 | 112 | I423 K426 Y427 | R385-I423 HydrophobicContact CB-CD1 4.5Å; R385-K426 PolarHBondContact O-NZ 3.41Å; R385-Y427 VanDerWaalsContact O-CE2 3.25Å; R385-Y427 WeakPolarHBondContact O-CE2 3.2Å; R385-Y427 PolarHBondContact O-OH 3.44Å | ||
| 386 | T | 78.1 | Confident | 76 | Confident | 58 Ų | 58 | 46.5 Ų | 46.5 | 36% | 0.356 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -90.7 | 161.6 | 173.2 | 73.7 | 0 | 0 | 0 | 0 | 111.6 | S388 D389 F390 Y427 | T386-S388 VanDerWaalsContact C-N 3.27Å; T386-S388 PolarHBondContact O-N 3.37Å; T386-D389 WeakPolarHBondContact CB-OD2 3.23Å; T386-D389 WeakPolarHBondContact CG2-OD2 3.14Å; T386-D389 PolarHBondContact N-OD2 3.5Å; T386-D389 VanDerWaalsContact N-OD2 3.11Å; T386-D389 PolarHBondContact O-N 3.43Å; T386-D389 PolarHBondContact OG1-N 3.3Å; T386-D389 VanDerWaalsContact OG1-N 3.13Å; T386-D389 PolarHBondContact OG1-OD1 2.59Å; T386-D389 PolarHBondContact OG1-OD2 3.2Å; T386-F390 PolarHBondContact O-N 3.35Å; T386-Y427 WeakPolarHBondContact CA-OH 3.15Å |
| 387 | V | 78.3 | Confident | 76.3 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.4 | -40 | 174.3 | 178.4 | 0 | 0 | 0 | 0 | 110.4 | F390 S391 Y427 E434 A435 L438 | V387-F390 PolarHBondContact O-N 3.07Å; V387-S391 WeakPolarHBondContact O-CB 3.41Å; V387-S391 PolarHBondContact O-N 2.89Å; V387-Y427 HydrophobicContact CG2-CD1 3.55Å; V387-Y427 HydrophobicContact CG2-CD2 3.74Å; V387-Y427 HydrophobicContact CG2-CE1 3.85Å; V387-Y427 HydrophobicContact CG2-CE2 4.02Å; V387-Y427 HydrophobicContact CG2-CG 3.51Å; V387-E434 HydrophobicContact CG1-CB 4.13Å; V387-E434 HydrophobicContact CG1-CG 3.8Å; V387-A435 HydrophobicContact CG1-CB 4.33Å; V387-A435 HydrophobicContact CG2-CB 4.38Å; V387-L438 HydrophobicContact CG1-CD2 3.89Å; V387-L438 WeakPolarHBondContact O-CD2 3.42Å |
| 388 | S | 75.9 | Confident | 76.5 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 43% | 0.434 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.6 | -43.3 | 176.9 | -178.7 | 0 | 0 | 0 | 0 | 112.9 | T386 S391 S392 E434 | T386-S388 VanDerWaalsContact C-N 3.27Å; T386-S388 PolarHBondContact O-N 3.37Å; S388-S391 WeakPolarHBondContact O-CB 3.46Å; S388-S391 PolarHBondContact O-N 3.16Å; S388-S392 PolarHBondContact O-N 3.32Å; S388-S392 VanDerWaalsContact O-N 3.07Å; S388-S392 PolarHBondContact O-OG 3.34Å; S388-E434 WeakPolarHBondContact CA-OE1 3.37Å |
| 389 | D | 73.5 | Confident | 76.4 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 33% | 0.332 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61 | -47.5 | 174.2 | -57.3 | -39.6 | 0 | 0 | 0 | 110.4 | G384 T386 S391 S392 L393 | G384-D389 WeakPolarHBondContact CA-OD2 3.18Å; T386-D389 WeakPolarHBondContact CB-OD2 3.23Å; T386-D389 WeakPolarHBondContact CG2-OD2 3.14Å; T386-D389 PolarHBondContact N-OD2 3.5Å; T386-D389 VanDerWaalsContact N-OD2 3.11Å; T386-D389 PolarHBondContact O-N 3.43Å; T386-D389 PolarHBondContact OG1-N 3.3Å; T386-D389 VanDerWaalsContact OG1-N 3.13Å; T386-D389 PolarHBondContact OG1-OD1 2.59Å; T386-D389 PolarHBondContact OG1-OD2 3.2Å; D389-S391 VanDerWaalsContact C-N 3.26Å; D389-S391 PolarHBondContact O-N 2.97Å; D389-S392 PolarHBondContact O-N 3.08Å; D389-L393 WeakPolarHBondContact O-CB 3.39Å; D389-L393 VanDerWaalsContact O-CG 3.29Å; D389-L393 WeakPolarHBondContact O-CG 3.33Å; D389-L393 PolarHBondContact O-N 2.71Å |
| 390 | F | 81.2 | Confident | 76.4 | Confident | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65 | -30.3 | 178.4 | -174 | -122.1 | 0 | 0 | 0 | 112.4 | Y377 F381 T386 V387 S394 I423 Y424 L438 Y442 | Y377-F390 WeakPolarHBondContact OH-CE2 3.28Å; F381-F390 HydrophobicContact CD2-CD2 4.21Å; F381-F390 HydrophobicContact CE2-CD2 4.01Å; T386-F390 PolarHBondContact O-N 3.35Å; V387-F390 PolarHBondContact O-N 3.07Å; F390-S394 WeakPolarHBondContact O-CB 3.18Å; F390-S394 PolarHBondContact O-N 3.42Å; F390-S394 PolarHBondContact O-OG 3.37Å; F390-I423 HydrophobicContact CB-CD1 4.3Å; F390-I423 HydrophobicContact CB-CG1 4.14Å; F390-I423 HydrophobicContact CB-CG2 4.49Å; F390-I423 HydrophobicContact CD1-CB 4.19Å; F390-I423 HydrophobicContact CD1-CG1 4.08Å; F390-I423 HydrophobicContact CD1-CG2 3.85Å; F390-I423 HydrophobicContact CD2-CG1 4.09Å; F390-I423 HydrophobicContact CE1-CG2 4.48Å; F390-I423 HydrophobicContact CG-CB 4.45Å; F390-I423 HydrophobicContact CG-CG1 3.85Å; F390-I423 HydrophobicContact CG-CG2 4.3Å; F390-Y424 AromaticContact CE1-CE2 3.95Å; F390-Y424 HydrophobicContact CE1-CE2 3.95Å; F390-L438 HydrophobicContact CB-CD2 4.07Å; F390-L438 HydrophobicContact CD1-CD1 4.5Å; F390-L438 HydrophobicContact CD1-CD2 3.34Å; F390-L438 HydrophobicContact CD1-CG 3.9Å; F390-L438 HydrophobicContact CE1-CD2 4.12Å; F390-L438 HydrophobicContact CE1-CG 4.18Å; F390-L438 HydrophobicContact CG-CD2 4.08Å; F390-Y442 HydrophobicContact CZ-CD2 4.17Å |
| 391 | S | 81.1 | Confident | 76.9 | Confident | 22 Ų | 22 | 43.9 Ų | 43.9 | 15% | 0.154 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.5 | -51 | 175.2 | -171.9 | 0 | 0 | 0 | 0 | 111.5 | V387 S388 D389 L393 S394 R395 | V387-S391 WeakPolarHBondContact O-CB 3.41Å; V387-S391 PolarHBondContact O-N 2.89Å; S388-S391 WeakPolarHBondContact O-CB 3.46Å; S388-S391 PolarHBondContact O-N 3.16Å; D389-S391 VanDerWaalsContact C-N 3.26Å; D389-S391 PolarHBondContact O-N 2.97Å; S391-L393 VanDerWaalsContact C-N 3.34Å; S391-L393 PolarHBondContact O-N 3.01Å; S391-S394 PolarHBondContact O-N 3.12Å; S391-R395 WeakPolarHBondContact O-CG 3.37Å; S391-R395 PolarHBondContact O-N 2.82Å |
| 392 | S | 74.8 | Confident | 77.1 | Confident | 57 Ų | 57 | 45.1 Ų | 45.1 | 40% | 0.399 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | S388 D389 S394 R395 F396 | S388-S392 PolarHBondContact O-N 3.32Å; S388-S392 VanDerWaalsContact O-N 3.07Å; S388-S392 PolarHBondContact O-OG 3.34Å; D389-S392 PolarHBondContact O-N 3.08Å; S392-S394 PolarHBondContact O-N 3.02Å; S392-R395 PolarHBondContact O-N 2.99Å; S392-F396 PolarHBondContact O-N 3.37Å; S392-F396 VanDerWaalsContact O-N 3.1Å |
| 393 | L | 78 | Confident | 77 | Confident | 7 Ų | 7 | 42.2 Ų | 42.2 | 4% | 0.037 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -66 | -37.5 | 177.3 | -71.2 | 176.2 | 0 | 0 | 0 | 112.9 | Y376 Y377 E380 F381 D389 S391 F396 M397 | Y376-L393 HydrophobicContact CE1-CD2 4.27Å; Y377-L393 HydrophobicContact CD2-CB 3.77Å; Y377-L393 HydrophobicContact CD2-CD1 4.36Å; Y377-L393 HydrophobicContact CD2-CD2 4.18Å; Y377-L393 HydrophobicContact CD2-CG 4.33Å; Y377-L393 HydrophobicContact CE2-CB 3.71Å; Y377-L393 HydrophobicContact CE2-CD1 4.39Å; E380-L393 HydrophobicContact CB-CD1 4.12Å; E380-L393 HydrophobicContact CB-CD2 3.74Å; F381-L393 HydrophobicContact CB-CD1 4.09Å; D389-L393 WeakPolarHBondContact O-CB 3.39Å; D389-L393 VanDerWaalsContact O-CG 3.29Å; D389-L393 WeakPolarHBondContact O-CG 3.33Å; D389-L393 PolarHBondContact O-N 2.71Å; S391-L393 VanDerWaalsContact C-N 3.34Å; S391-L393 PolarHBondContact O-N 3.01Å; L393-F396 WeakPolarHBondContact O-CB 3.32Å; L393-F396 PolarHBondContact O-N 3.19Å; L393-M397 WeakPolarHBondContact O-CB 3.29Å; L393-M397 WeakPolarHBondContact O-CG 3.33Å; L393-M397 PolarHBondContact O-N 2.83Å |
| 394 | S | 81.7 | Confident | 77.1 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -36.5 | 176.3 | -68 | 0 | 0 | 0 | 0 | 112.1 | F390 S391 S392 M397 H398 | F390-S394 WeakPolarHBondContact O-CB 3.18Å; F390-S394 PolarHBondContact O-N 3.42Å; F390-S394 PolarHBondContact O-OG 3.37Å; S391-S394 PolarHBondContact O-N 3.12Å; S392-S394 PolarHBondContact O-N 3.02Å; S394-M397 PolarHBondContact O-N 2.82Å; S394-H398 WeakPolarHBondContact O-CB 3.36Å; S394-H398 PolarHBondContact O-N 3.24Å |
| 395 | R | 78.2 | Confident | 77.7 | Confident | 156 Ų | 156 | 37.1 Ų | 37.1 | 59% | 0.589 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -63.6 | -42.1 | 172.8 | -71.7 | 176.6 | -173.6 | 173 | 1.7 | 111.7 | S391 S392 H398 P399 | S391-R395 WeakPolarHBondContact O-CG 3.37Å; S391-R395 PolarHBondContact O-N 2.82Å; S392-R395 PolarHBondContact O-N 2.99Å; R395-H398 PolarHBondContact O-N 3.36Å; R395-P399 WeakPolarHBondContact O-CD 3.45Å |
| 396 | F | 77.8 | Confident | 77.9 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -43.6 | 173.3 | 172.9 | -91.9 | 0 | 0 | 0 | 112 | L326 M350 L354 M373 Y376 S392 L393 H398 P399 V400 | L326-F396 HydrophobicContact CD2-CZ 4.35Å; M350-F396 HydrophobicContact CB-CE2 4.09Å; M350-F396 HydrophobicContact CE-CD2 4.45Å; M350-F396 HydrophobicContact CE-CE2 3.82Å; M350-F396 HydrophobicContact SD-CE2 4.28Å; L354-F396 HydrophobicContact CD1-CD2 3.86Å; L354-F396 HydrophobicContact CD1-CE1 4.49Å; L354-F396 HydrophobicContact CD1-CE2 3.34Å; L354-F396 HydrophobicContact CD1-CZ 3.71Å; M373-F396 HydrophobicContact CB-CE1 4.07Å; M373-F396 HydrophobicContact CB-CZ 3.97Å; M373-F396 HydrophobicContact CG-CZ 4.08Å; Y376-F396 HydrophobicContact CD1-CD1 4.02Å; Y376-F396 AromaticContact CD1-CE1 3.52Å; Y376-F396 HydrophobicContact CD1-CE1 3.52Å; Y376-F396 HydrophobicContact CD1-CE2 4.19Å; Y376-F396 AromaticContact CD1-CZ 3.61Å; Y376-F396 HydrophobicContact CD1-CZ 3.61Å; Y376-F396 AromaticContact CE1-CD1 3.91Å; Y376-F396 HydrophobicContact CE1-CD1 3.91Å; Y376-F396 HydrophobicContact CE1-CD2 4.15Å; Y376-F396 AromaticContact CE1-CE1 3.85Å; Y376-F396 HydrophobicContact CE1-CE1 3.85Å; Y376-F396 HydrophobicContact CE1-CE2 4.07Å; Y376-F396 HydrophobicContact CE1-CG 4.06Å; Y376-F396 AromaticContact CE1-CZ 3.93Å; Y376-F396 HydrophobicContact CE1-CZ 3.93Å; S392-F396 PolarHBondContact O-N 3.37Å; S392-F396 VanDerWaalsContact O-N 3.1Å; L393-F396 WeakPolarHBondContact O-CB 3.32Å; L393-F396 PolarHBondContact O-N 3.19Å; F396-H398 VanDerWaalsContact C-N 3.33Å; F396-H398 PolarHBondContact O-N 3.11Å; F396-P399 VanDerWaalsContact O-CD 3.27Å; F396-P399 WeakPolarHBondContact O-CD 3.08Å; F396-P399 WeakPolarHBondContact O-CG 3.02Å; F396-V400 HydrophobicContact CE1-CG2 4.34Å |
| 397 | M | 81.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -74 | -21.6 | -179.4 | -73.3 | -51.8 | -60.8 | 0 | 0 | 114 | F374 Y377 L393 S394 V400 I401 Y416 | F374-M397 HydrophobicContact CD1-CE 4.17Å; F374-M397 HydrophobicContact CD2-CE 4Å; F374-M397 HydrophobicContact CE1-CE 3.61Å; F374-M397 HydrophobicContact CE2-CE 3.35Å; F374-M397 HydrophobicContact CG-CE 4.37Å; F374-M397 HydrophobicContact CZ-CE 3.19Å; Y377-M397 HydrophobicContact CD1-CG 4.39Å; Y377-M397 HydrophobicContact CD1-SD 4.41Å; Y377-M397 HydrophobicContact CD2-CG 3.26Å; Y377-M397 HydrophobicContact CD2-SD 3.94Å; Y377-M397 HydrophobicContact CE2-CG 3.64Å; Y377-M397 HydrophobicContact CG-CG 3.7Å; Y377-M397 HydrophobicContact CG-SD 3.76Å; L393-M397 WeakPolarHBondContact O-CB 3.29Å; L393-M397 WeakPolarHBondContact O-CG 3.33Å; L393-M397 PolarHBondContact O-N 2.83Å; S394-M397 PolarHBondContact O-N 2.82Å; M397-V400 HydrophobicContact CE-CB 4.05Å; M397-V400 HydrophobicContact CE-CG1 3.99Å; M397-V400 PolarHBondContact O-N 3.36Å; M397-V400 HydrophobicContact SD-CB 4.41Å; M397-V400 HydrophobicContact SD-CG2 4.47Å; M397-I401 HydrophobicContact CB-CD1 4.29Å; M397-I401 HydrophobicContact CE-CD1 4.36Å; M397-I401 HydrophobicContact CE-CG1 4.15Å; M397-I401 WeakPolarHBondContact O-CG1 3.47Å; M397-I401 PolarHBondContact O-N 2.92Å; M397-Y416 HydrophobicContact CB-CD2 4.42Å; M397-Y416 HydrophobicContact CB-CE2 3.98Å; M397-Y416 HydrophobicContact CG-CD2 4.3Å; M397-Y416 HydrophobicContact CG-CE2 4.23Å |
| 398 | H | 82.1 | Confident | 77.5 | Confident | 61 Ų | 61 | 35.1 Ų | 35.1 | 28% | 0.282 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -53.9 | -56.5 | -179.3 | 178.8 | -79.5 | 0 | 0 | 0 | 112.8 | S394 R395 F396 V400 I401 V402 Y444 L445 | S394-H398 WeakPolarHBondContact O-CB 3.36Å; S394-H398 PolarHBondContact O-N 3.24Å; R395-H398 PolarHBondContact O-N 3.36Å; F396-H398 VanDerWaalsContact C-N 3.33Å; F396-H398 PolarHBondContact O-N 3.11Å; H398-V400 VanDerWaalsContact C-N 3.32Å; H398-V400 PolarHBondContact O-N 3.08Å; H398-I401 PolarHBondContact O-N 3.41Å; H398-V402 WeakPolarHBondContact O-CB 3.18Å; H398-V402 VanDerWaalsContact O-CG2 3.22Å; H398-V402 WeakPolarHBondContact O-CG2 3.4Å; H398-V402 PolarHBondContact O-N 3.33Å; H398-Y444 AromaticContact NE2-CD1 3.73Å; H398-Y444 AromaticContact NE2-CE1 3.29Å; H398-Y444 VanDerWaalsContact NE2-CE1 3.29Å; H398-Y444 WeakPolarHBondContact NE2-CE1 3.28Å; H398-L445 HydrophobicContact CB-CD1 4.12Å; H398-L445 HydrophobicContact CB-CD2 4.15Å; H398-L445 VanDerWaalsContact CD2-CD2 3.44Å; H398-L445 WeakPolarHBondContact CD2-CD2 3.3Å |
| 399 | P | 74.2 | Confident | 77.8 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 3% | 0.026 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.1 | 26.3 | -35.4 | 0 | 0 | 0 | 112.6 | L354 R355 F358 R395 F396 I401 V402 H403 | L354-P399 HydrophobicContact CB-CB 4.1Å; L354-P399 HydrophobicContact CB-CG 3.81Å; R355-P399 HydrophobicContact CB-CB 4.33Å; F358-P399 HydrophobicContact CD2-CB 4.2Å; F358-P399 HydrophobicContact CE2-CB 4.5Å; F358-P399 WeakPolarHBondContact CE2-O 3.42Å; R395-P399 WeakPolarHBondContact O-CD 3.45Å; F396-P399 VanDerWaalsContact O-CD 3.27Å; F396-P399 WeakPolarHBondContact O-CD 3.08Å; F396-P399 WeakPolarHBondContact O-CG 3.02Å; P399-I401 PolarHBondContact O-N 3.46Å; P399-V402 PolarHBondContact O-N 2.89Å; P399-H403 WeakPolarHBondContact O-CB 3.38Å; P399-H403 PolarHBondContact O-CD2 2.93Å; P399-H403 VanDerWaalsContact O-CD2 3.29Å; P399-H403 PolarHBondContact O-N 3.36Å |
| 400 | V | 77.7 | Confident | 78.5 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 178.6 | -175 | 0 | 0 | 0 | 0 | 111.9 | L354 F358 M373 F374 F396 M397 H398 G404 L408 | L354-V400 HydrophobicContact CD1-CG2 3.86Å; F358-V400 HydrophobicContact CE2-CB 4.42Å; F358-V400 HydrophobicContact CE2-CG2 4.26Å; F358-V400 HydrophobicContact CZ-CB 4.49Å; M373-V400 HydrophobicContact CB-CG2 4.42Å; M373-V400 HydrophobicContact SD-CG1 4.37Å; M373-V400 HydrophobicContact SD-CG2 3.81Å; F374-V400 HydrophobicContact CD2-CG1 4.23Å; F374-V400 HydrophobicContact CE2-CG1 3.69Å; F396-V400 HydrophobicContact CE1-CG2 4.34Å; M397-V400 HydrophobicContact CE-CB 4.05Å; M397-V400 HydrophobicContact CE-CG1 3.99Å; M397-V400 PolarHBondContact O-N 3.36Å; M397-V400 HydrophobicContact SD-CB 4.41Å; M397-V400 HydrophobicContact SD-CG2 4.47Å; H398-V400 VanDerWaalsContact C-N 3.32Å; H398-V400 PolarHBondContact O-N 3.08Å; V400-G404 WeakPolarHBondContact O-CA 3.41Å; V400-G404 PolarHBondContact O-N 3.42Å; V400-L408 HydrophobicContact CG1-CD1 4.42Å |
| 401 | I | 82.5 | Confident | 78.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75 | -49.2 | 178.7 | -68.8 | 170.6 | 0 | 0 | 0 | 110.1 | M397 H398 P399 H403 I405 Y416 L445 L449 | M397-I401 HydrophobicContact CB-CD1 4.29Å; M397-I401 HydrophobicContact CE-CD1 4.36Å; M397-I401 HydrophobicContact CE-CG1 4.15Å; M397-I401 WeakPolarHBondContact O-CG1 3.47Å; M397-I401 PolarHBondContact O-N 2.92Å; H398-I401 PolarHBondContact O-N 3.41Å; P399-I401 PolarHBondContact O-N 3.46Å; I401-H403 VanDerWaalsContact C-N 3.34Å; I401-H403 PolarHBondContact O-N 2.99Å; I401-I405 VanDerWaalsContact O-CB 3.28Å; I401-I405 WeakPolarHBondContact O-CB 3.04Å; I401-I405 PolarHBondContact O-N 3Å; I401-Y416 HydrophobicContact CD1-CD1 3.55Å; I401-Y416 HydrophobicContact CD1-CD2 3.91Å; I401-Y416 HydrophobicContact CD1-CE1 3.42Å; I401-Y416 VanDerWaalsContact CD1-CE1 3.42Å; I401-Y416 HydrophobicContact CD1-CE2 3.82Å; I401-Y416 HydrophobicContact CD1-CG 3.8Å; I401-L445 HydrophobicContact CB-CD2 4.23Å; I401-L445 HydrophobicContact CD1-CD1 4.44Å; I401-L445 HydrophobicContact CG2-CD2 4.23Å; I401-L449 HydrophobicContact CG2-CD2 3.85Å |
| 402 | V | 79.7 | Confident | 78.9 | Confident | 40 Ų | 40 | 40.3 Ų | 40.3 | 24% | 0.242 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -43.6 | -173.7 | 170.6 | 0 | 0 | 0 | 0 | 111.5 | H398 P399 Y444 L445 K448 | H398-V402 WeakPolarHBondContact O-CB 3.18Å; H398-V402 VanDerWaalsContact O-CG2 3.22Å; H398-V402 WeakPolarHBondContact O-CG2 3.4Å; H398-V402 PolarHBondContact O-N 3.33Å; P399-V402 PolarHBondContact O-N 2.89Å; V402-Y444 HydrophobicContact CG2-CE1 4.32Å; V402-L445 HydrophobicContact CG2-CD2 3.78Å; V402-K448 HydrophobicContact CG2-CG 4.32Å |
| 403 | H | 74.1 | Confident | 79.6 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -103.1 | -23.4 | -174.6 | -56.1 | -104.5 | 0 | 0 | 0 | 113.1 | F358 D359 P399 I401 | F358-H403 HydrophobicContact CB-CB 3.28Å; F358-H403 HydrophobicContact CD1-CB 3.4Å; F358-H403 HydrophobicContact CD2-CB 3.85Å; F358-H403 HydrophobicContact CE1-CB 4.19Å; F358-H403 HydrophobicContact CG-CB 3.24Å; F358-H403 AromaticContact CG-CG 3.92Å; D359-H403 IonicContact OD1-CE1 3.49Å; D359-H403 PolarHBondContact OD1-CE1 3.31Å; D359-H403 IonicContact OD1-ND1 3.54Å; D359-H403 PolarHBondContact OD1-ND1 3Å; D359-H403 IonicContact OD2-CE1 3.01Å; P399-H403 WeakPolarHBondContact O-CB 3.38Å; P399-H403 PolarHBondContact O-CD2 2.93Å; P399-H403 VanDerWaalsContact O-CD2 3.29Å; P399-H403 PolarHBondContact O-N 3.36Å; I401-H403 VanDerWaalsContact C-N 3.34Å; I401-H403 PolarHBondContact O-N 2.99Å |
| 404 | G | 74.5 | Confident | 80.2 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -91.8 | -2.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | V400 T406 F407 L408 | V400-G404 WeakPolarHBondContact O-CA 3.41Å; V400-G404 PolarHBondContact O-N 3.42Å; G404-T406 PolarHBondContact O-N 3.45Å; G404-F407 PolarHBondContact O-N 2.93Å; G404-L408 WeakPolarHBondContact O-CG 2.75Å; G404-L408 PolarHBondContact O-N 3.14Å |
| 405 | I | 76.3 | Confident | 80.6 | Confident | 37 Ų | 37 | 40.7 Ų | 40.7 | 19% | 0.19 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.2 | -36.7 | -171.6 | -166.3 | 160.3 | 0 | 0 | 0 | 115 | I401 F407 K448 P450 | I401-I405 VanDerWaalsContact O-CB 3.28Å; I401-I405 WeakPolarHBondContact O-CB 3.04Å; I401-I405 PolarHBondContact O-N 3Å; I405-F407 VanDerWaalsContact C-N 3.29Å; I405-F407 PolarHBondContact O-N 3.23Å; I405-K448 VanDerWaalsContact CD1-C 3.45Å; I405-K448 HydrophobicContact CD1-CB 4.43Å; I405-K448 WeakPolarHBondContact CD1-O 3.38Å; I405-P450 HydrophobicContact CD1-CG 4.39Å; I405-P450 HydrophobicContact CG1-CG 4.16Å |
| 406 | T | 74.1 | Confident | 81 | Confident | 109 Ų | 109 | 33.3 Ų | 33.3 | 67% | 0.669 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -14.8 | -177.6 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | G404 | G404-T406 PolarHBondContact O-N 3.45Š|
| 407 | F | 72.5 | Confident | 81.8 | Confident | 50 Ų | 50 | 33.3 Ų | 33.3 | 22% | 0.219 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -13 | -177.3 | -50 | -71 | 0 | 0 | 0 | 112.5 | K363 M367 I370 G404 I405 | K363-F407 HydrophobicContact CB-CE1 3.87Å; K363-F407 HydrophobicContact CB-CZ 3.65Å; K363-F407 HydrophobicContact CD-CE1 4.31Å; K363-F407 HydrophobicContact CD-CZ 3.73Å; K363-F407 HydrophobicContact CG-CE1 4.27Å; K363-F407 HydrophobicContact CG-CE2 4.45Å; K363-F407 HydrophobicContact CG-CZ 3.59Å; M367-F407 HydrophobicContact CG-CB 4.11Å; M367-F407 HydrophobicContact CG-CD1 3.6Å; M367-F407 HydrophobicContact CG-CE1 4.36Å; M367-F407 HydrophobicContact CG-CG 4.01Å; M367-F407 HydrophobicContact SD-CD1 3.93Å; M367-F407 HydrophobicContact SD-CE1 4.46Å; I370-F407 HydrophobicContact CD1-CB 3.69Å; I370-F407 HydrophobicContact CD1-CD2 4.12Å; I370-F407 HydrophobicContact CD1-CG 4.22Å; G404-F407 PolarHBondContact O-N 2.93Å; I405-F407 VanDerWaalsContact C-N 3.29Å; I405-F407 PolarHBondContact O-N 3.23Å |
| 408 | L | 76.3 | Confident | 82.3 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 7% | 0.068 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -76.2 | 128.7 | -172.8 | -79.7 | 168.6 | 0 | 0 | 0 | 111.7 | I370 F374 V400 G404 E410 L413 | I370-L408 HydrophobicContact CG2-CD2 3.18Å; I370-L408 HydrophobicContact CG2-CG 4.04Å; F374-L408 HydrophobicContact CD2-CD2 3.35Å; F374-L408 HydrophobicContact CE2-CD1 3.55Å; F374-L408 HydrophobicContact CE2-CD2 2.95Å; F374-L408 HydrophobicContact CE2-CG 3.88Å; F374-L408 HydrophobicContact CG-CD2 4.39Å; F374-L408 HydrophobicContact CZ-CD1 3.79Å; F374-L408 HydrophobicContact CZ-CD2 3.69Å; F374-L408 HydrophobicContact CZ-CG 4.36Å; V400-L408 HydrophobicContact CG1-CD1 4.42Å; G404-L408 WeakPolarHBondContact O-CG 2.75Å; G404-L408 PolarHBondContact O-N 3.14Å; L408-E410 PolarHBondContact O-N 2.73Å; L408-L413 HydrophobicContact CB-CD1 4.22Å; L408-L413 HydrophobicContact CB-CD2 3.69Å; L408-L413 HydrophobicContact CB-CG 3.87Å; L408-L413 HydrophobicContact CD1-CD2 3.51Å; L408-L413 HydrophobicContact CG-CD2 4.18Å |
| 409 | P | 82.8 | Confident | 82.5 | Confident | 48 Ų | 48 | 34.5 Ų | 34.5 | 31% | 0.312 | 18% | 0.177 | S | C | . | . | trans | -56.3 | 138.4 | 167.7 | -23.2 | 33.9 | 0 | 0 | 0 | 110.4 | H411 N412 L413 | P409-H411 WeakPolarHBondContact CB-CE1 3.23Å; P409-H411 VanDerWaalsContact CB-ND1 3.28Å; P409-H411 WeakPolarHBondContact CB-ND1 3.27Å; P409-H411 PolarHBondContact O-N 2.8Å; P409-H411 VanDerWaalsContact O-N 3.16Å; P409-N412 WeakPolarHBondContact O-CB 3.13Å; P409-N412 PolarHBondContact O-N 3.33Å; P409-N412 VanDerWaalsContact O-N 3.07Å; P409-L413 PolarHBondContact O-N 3.05Å | ||
| 410 | E | 87.2 | Confident | 83.3 | Confident | 71 Ų | 71 | 34.3 Ų | 34.3 | 33% | 0.332 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.6 | -31.1 | -176.3 | -63.8 | 170.7 | 173.8 | 0 | 0 | 113.2 | L408 L413 L414 T453 L454 S457 | L408-E410 PolarHBondContact O-N 2.73Å; E410-L413 PolarHBondContact O-N 3.48Å; E410-L414 WeakPolarHBondContact O-CG 3.23Å; E410-L414 PolarHBondContact O-N 3.26Å; E410-L414 VanDerWaalsContact O-N 3.08Å; E410-T453 VanDerWaalsContact OE1-CG2 3.31Å; E410-T453 WeakPolarHBondContact OE1-CG2 3.31Å; E410-L454 HydrophobicContact CB-CD2 3.67Å; E410-L454 HydrophobicContact CG-CD2 3.96Å; E410-S457 VanDerWaalsContact CD-OG 3.3Å; E410-S457 WeakPolarHBondContact OE2-CB 3.31Å; E410-S457 PolarHBondContact OE2-OG 2.67Å |
| 411 | H | 86.9 | Confident | 84 | Confident | 123 Ų | 123 | 34.9 Ų | 34.9 | 57% | 0.569 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -64.7 | -41.7 | 176.5 | 65.6 | -84.8 | 0 | 0 | 0 | 112.2 | P409 L413 L414 E415 | P409-H411 WeakPolarHBondContact CB-CE1 3.23Å; P409-H411 VanDerWaalsContact CB-ND1 3.28Å; P409-H411 WeakPolarHBondContact CB-ND1 3.27Å; P409-H411 PolarHBondContact O-N 2.8Å; P409-H411 VanDerWaalsContact O-N 3.16Å; H411-L413 VanDerWaalsContact C-N 3.32Å; H411-L413 PolarHBondContact O-N 3.11Å; H411-L414 PolarHBondContact O-N 3.19Å; H411-E415 VanDerWaalsContact O-CB 3.3Å; H411-E415 WeakPolarHBondContact O-CB 3.34Å; H411-E415 PolarHBondContact O-N 3.02Å |
| 412 | N | 84.9 | Confident | 84.3 | Confident | 14 Ų | 14 | 37 Ų | 37 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.9 | -76.5 | 15.5 | 0 | 0 | 0 | 111.3 | F374 P409 E415 Y416 | F374-N412 WeakPolarHBondContact CB-ND2 3.21Å; F374-N412 HydrophobicContact CD1-CB 3.51Å; F374-N412 HydrophobicContact CD2-CB 4.38Å; F374-N412 HydrophobicContact CE1-CB 3.65Å; F374-N412 VanDerWaalsContact CE1-O 3.22Å; F374-N412 WeakPolarHBondContact CE1-O 3.29Å; F374-N412 HydrophobicContact CG-CB 3.88Å; F374-N412 WeakPolarHBondContact CG-ND2 3.45Å; F374-N412 HydrophobicContact CZ-CB 4.15Å; P409-N412 WeakPolarHBondContact O-CB 3.13Å; P409-N412 PolarHBondContact O-N 3.33Å; P409-N412 VanDerWaalsContact O-N 3.07Å; N412-E415 PolarHBondContact O-N 3.5Å; N412-Y416 PolarHBondContact O-N 3.23Å |
| 413 | L | 89 | Confident | 84.7 | Confident | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -45 | 177.4 | -63.6 | 179.4 | 0 | 0 | 0 | 111.7 | L408 P409 E410 H411 V417 L449 P450 L454 | L408-L413 HydrophobicContact CB-CD1 4.22Å; L408-L413 HydrophobicContact CB-CD2 3.69Å; L408-L413 HydrophobicContact CB-CG 3.87Å; L408-L413 HydrophobicContact CD1-CD2 3.51Å; L408-L413 HydrophobicContact CG-CD2 4.18Å; P409-L413 PolarHBondContact O-N 3.05Å; E410-L413 PolarHBondContact O-N 3.48Å; H411-L413 VanDerWaalsContact C-N 3.32Å; H411-L413 PolarHBondContact O-N 3.11Å; L413-V417 WeakPolarHBondContact O-CG2 3.33Å; L413-V417 PolarHBondContact O-N 2.88Å; L413-L449 HydrophobicContact CD2-CD2 3.86Å; L413-P450 HydrophobicContact CD1-CG 4.06Å; L413-L454 HydrophobicContact CB-CD1 4.38Å; L413-L454 HydrophobicContact CB-CD2 4.21Å; L413-L454 HydrophobicContact CD1-CD2 4.2Å |
| 414 | L | 91.4 | Very high | 85.4 | Confident | 14 Ų | 14 | 33 Ų | 33 | 7% | 0.073 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.2 | -35.7 | 177.5 | -71.4 | 170.9 | 0 | 0 | 0 | 112.3 | E410 H411 V417 H418 L454 A461 V462 | E410-L414 WeakPolarHBondContact O-CG 3.23Å; E410-L414 PolarHBondContact O-N 3.26Å; E410-L414 VanDerWaalsContact O-N 3.08Å; H411-L414 PolarHBondContact O-N 3.19Å; L414-V417 WeakPolarHBondContact O-CB 3.35Å; L414-V417 PolarHBondContact O-N 2.99Å; L414-H418 PolarHBondContact O-CD2 3.4Å; L414-H418 PolarHBondContact O-N 2.83Å; L414-L454 HydrophobicContact CD2-CD1 4.35Å; L414-L454 HydrophobicContact CG-CD2 4.24Å; L414-A461 HydrophobicContact CD1-CB 3.99Å; L414-A461 HydrophobicContact CD2-CB 4.25Å; L414-V462 HydrophobicContact CD2-CG2 4.31Å |
| 415 | E | 88.5 | Confident | 86.1 | Confident | 56 Ų | 56 | 39.8 Ų | 39.8 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.7 | -45.6 | 176.2 | 178.7 | 164.9 | -159.1 | 0 | 0 | 111.9 | H411 N412 V417 H418 M419 | H411-E415 VanDerWaalsContact O-CB 3.3Å; H411-E415 WeakPolarHBondContact O-CB 3.34Å; H411-E415 PolarHBondContact O-N 3.02Å; N412-E415 PolarHBondContact O-N 3.5Å; E415-V417 VanDerWaalsContact C-N 3.26Å; E415-V417 PolarHBondContact O-N 3.45Å; E415-H418 PolarHBondContact O-N 3Å; E415-H418 VanDerWaalsContact O-N 3.13Å; E415-M419 HydrophobicContact CG-CE 3.48Å; E415-M419 VanDerWaalsContact CG-CE 3.48Å; E415-M419 HydrophobicContact CG-SD 4.37Å; E415-M419 WeakPolarHBondContact O-CG 3.29Å; E415-M419 PolarHBondContact O-N 3.1Å; E415-M419 WeakPolarHBondContact OE1-CE 3.27Å |
| 416 | Y | 88.1 | Confident | 86.5 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -53.4 | -45.1 | 171.7 | 171.3 | -97.6 | 0 | 0 | 0 | 111.9 | Y377 M397 I401 N412 M419 G420 Y442 L445 | Y377-Y416 AromaticContact CE1-CD2 3.83Å; Y377-Y416 HydrophobicContact CE1-CD2 3.83Å; Y377-Y416 HydrophobicContact CE2-CD2 4.27Å; Y377-Y416 HydrophobicContact CE2-CE2 4.37Å; Y377-Y416 AromaticContact CZ-CD2 3.61Å; Y377-Y416 WeakPolarHBondContact OH-CD2 3.38Å; M397-Y416 HydrophobicContact CB-CD2 4.42Å; M397-Y416 HydrophobicContact CB-CE2 3.98Å; M397-Y416 HydrophobicContact CG-CD2 4.3Å; M397-Y416 HydrophobicContact CG-CE2 4.23Å; I401-Y416 HydrophobicContact CD1-CD1 3.55Å; I401-Y416 HydrophobicContact CD1-CD2 3.91Å; I401-Y416 HydrophobicContact CD1-CE1 3.42Å; I401-Y416 VanDerWaalsContact CD1-CE1 3.42Å; I401-Y416 HydrophobicContact CD1-CE2 3.82Å; I401-Y416 HydrophobicContact CD1-CG 3.8Å; N412-Y416 PolarHBondContact O-N 3.23Å; Y416-M419 PolarHBondContact O-N 3.42Å; Y416-G420 PolarHBondContact O-N 3.29Å; Y416-G420 VanDerWaalsContact O-N 3.11Å; Y416-Y442 HydrophobicContact CD1-CE2 4.34Å; Y416-Y442 AromaticContact CE1-CD2 3.93Å; Y416-Y442 HydrophobicContact CE1-CD2 3.93Å; Y416-Y442 AromaticContact CE1-CE2 3.69Å; Y416-Y442 HydrophobicContact CE1-CE2 3.69Å; Y416-Y442 AromaticContact CZ-CD2 3.92Å; Y416-Y442 WeakPolarHBondContact OH-CD2 3.3Å; Y416-L445 HydrophobicContact CE1-CB 4.41Å; Y416-L445 WeakPolarHBondContact OH-CD1 3.39Å |
| 417 | V | 93 | Very high | 87 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 110.8 | L413 L414 E415 M419 G420 M421 Y442 L446 L449 W451 V465 | L413-V417 WeakPolarHBondContact O-CG2 3.33Å; L413-V417 PolarHBondContact O-N 2.88Å; L414-V417 WeakPolarHBondContact O-CB 3.35Å; L414-V417 PolarHBondContact O-N 2.99Å; E415-V417 VanDerWaalsContact C-N 3.26Å; E415-V417 PolarHBondContact O-N 3.45Å; V417-M419 VanDerWaalsContact C-N 3.33Å; V417-M419 PolarHBondContact O-N 2.89Å; V417-G420 PolarHBondContact O-N 2.72Å; V417-M421 HydrophobicContact CG1-SD 4.01Å; V417-M421 VanDerWaalsContact O-CG 3.27Å; V417-M421 WeakPolarHBondContact O-CG 3.44Å; V417-M421 PolarHBondContact O-N 2.88Å; V417-Y442 VanDerWaalsContact CA-OH 3.3Å; V417-Y442 WeakPolarHBondContact CA-OH 3.26Å; V417-Y442 PolarHBondContact O-OH 3.03Å; V417-L446 HydrophobicContact CB-CD2 4.22Å; V417-L446 HydrophobicContact CG1-CD2 4.03Å; V417-L446 HydrophobicContact CG2-CD2 3.56Å; V417-L449 HydrophobicContact CG2-CD1 3.54Å; V417-W451 HydrophobicContact CG1-CH2 4.24Å; V417-W451 HydrophobicContact CG2-CH2 3.93Å; V417-V465 HydrophobicContact CG1-CB 4.26Å; V417-V465 HydrophobicContact CG1-CG1 3.65Å; V417-V465 HydrophobicContact CG1-CG2 3.52Å |
| 418 | H | 92.1 | Very high | 87.4 | Confident | 70 Ų | 70 | 42.8 Ų | 42.8 | 32% | 0.324 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.2 | -35.2 | -179.4 | -72.6 | -47.6 | 0 | 0 | 0 | 112.9 | L414 E415 M421 A422 | L414-H418 PolarHBondContact O-CD2 3.4Å; L414-H418 PolarHBondContact O-N 2.83Å; E415-H418 PolarHBondContact O-N 3Å; E415-H418 VanDerWaalsContact O-N 3.13Å; H418-M421 PolarHBondContact O-N 3.25Å; H418-A422 PolarHBondContact O-N 3.19Å |
| 419 | M | 87.7 | Confident | 87.9 | Confident | 17 Ų | 17 | 42.3 Ų | 42.3 | 8% | 0.084 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -46.2 | 174.5 | -71.2 | -179.4 | -174.6 | 0 | 0 | 112.1 | Y377 E378 F381 E415 Y416 V417 M421 A422 I423 | Y377-M419 HydrophobicContact CD1-SD 3.96Å; Y377-M419 HydrophobicContact CE1-SD 3.27Å; Y377-M419 WeakPolarHBondContact CE1-SD 3.39Å; E378-M419 HydrophobicContact CB-CE 3.85Å; E378-M419 HydrophobicContact CG-CE 3.61Å; F381-M419 HydrophobicContact CB-SD 4.04Å; F381-M419 HydrophobicContact CD1-CB 4.11Å; F381-M419 HydrophobicContact CD1-CE 4.32Å; F381-M419 HydrophobicContact CD1-CG 3.7Å; F381-M419 HydrophobicContact CD1-SD 3.66Å; F381-M419 HydrophobicContact CD2-CB 4.31Å; F381-M419 HydrophobicContact CD2-SD 4.47Å; F381-M419 HydrophobicContact CE1-CB 3.78Å; F381-M419 HydrophobicContact CE1-CG 3.65Å; F381-M419 HydrophobicContact CE1-SD 4.25Å; F381-M419 HydrophobicContact CE2-CB 3.98Å; F381-M419 HydrophobicContact CG-CB 4.36Å; F381-M419 HydrophobicContact CG-CG 4.23Å; F381-M419 HydrophobicContact CG-SD 3.79Å; F381-M419 HydrophobicContact CZ-CB 3.71Å; F381-M419 HydrophobicContact CZ-CG 4.14Å; F381-M419 WeakPolarHBondContact CZ-O 3.45Å; E415-M419 HydrophobicContact CG-CE 3.48Å; E415-M419 VanDerWaalsContact CG-CE 3.48Å; E415-M419 HydrophobicContact CG-SD 4.37Å; E415-M419 WeakPolarHBondContact O-CG 3.29Å; E415-M419 PolarHBondContact O-N 3.1Å; E415-M419 WeakPolarHBondContact OE1-CE 3.27Å; Y416-M419 PolarHBondContact O-N 3.42Å; V417-M419 VanDerWaalsContact C-N 3.33Å; V417-M419 PolarHBondContact O-N 2.89Å; M419-M421 VanDerWaalsContact C-N 3.33Å; M419-M421 PolarHBondContact O-N 3.17Å; M419-A422 WeakPolarHBondContact O-CB 3.43Å; M419-A422 PolarHBondContact O-N 3.46Å; M419-A422 VanDerWaalsContact O-N 3.16Å; M419-I423 PolarHBondContact O-N 3.29Å; M419-I423 VanDerWaalsContact O-N 3.11Å |
| 420 | G | 90 | Very high | 87.9 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.6 | -42.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y416 V417 A422 I423 Y424 | Y416-G420 PolarHBondContact O-N 3.29Å; Y416-G420 VanDerWaalsContact O-N 3.11Å; V417-G420 PolarHBondContact O-N 2.72Å; G420-A422 VanDerWaalsContact C-N 3.34Å; G420-A422 PolarHBondContact O-N 3.35Å; G420-I423 PolarHBondContact O-N 3.16Å; G420-Y424 WeakPolarHBondContact O-CD2 3.22Å; G420-Y424 PolarHBondContact O-N 2.91Å; G420-Y424 VanDerWaalsContact O-N 3.14Å |
| 421 | M | 92.5 | Very high | 87.5 | Confident | 11 Ų | 11 | 44.5 Ų | 44.5 | 5% | 0.054 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 173 | -70.3 | 170.2 | 49.2 | 0 | 0 | 112 | V417 H418 M419 I423 Y424 E425 V464 V465 Y468 | V417-M421 HydrophobicContact CG1-SD 4.01Å; V417-M421 VanDerWaalsContact O-CG 3.27Å; V417-M421 WeakPolarHBondContact O-CG 3.44Å; V417-M421 PolarHBondContact O-N 2.88Å; H418-M421 PolarHBondContact O-N 3.25Å; M419-M421 VanDerWaalsContact C-N 3.33Å; M419-M421 PolarHBondContact O-N 3.17Å; M421-I423 VanDerWaalsContact C-N 3.29Å; M421-I423 PolarHBondContact O-N 3.44Å; M421-Y424 CarbonylContact O-C 3.54Å; M421-Y424 PolarHBondContact O-N 3.27Å; M421-E425 WeakPolarHBondContact O-CG 3.45Å; M421-E425 PolarHBondContact O-N 3.24Å; M421-V464 HydrophobicContact CE-CG1 4.22Å; M421-V465 HydrophobicContact SD-CB 4.29Å; M421-V465 HydrophobicContact SD-CG1 4.33Å; M421-V465 HydrophobicContact SD-CG2 3.91Å; M421-Y468 HydrophobicContact CB-CD1 4.4Å; M421-Y468 HydrophobicContact CB-CD2 4.48Å; M421-Y468 HydrophobicContact CB-CE1 4.31Å; M421-Y468 HydrophobicContact CB-CE2 4.43Å; M421-Y468 HydrophobicContact CB-CG 4.48Å; M421-Y468 VanDerWaalsContact CE-CB 3.44Å; M421-Y468 HydrophobicContact CE-CD1 4.19Å; M421-Y468 HydrophobicContact CE-CD2 3.94Å; M421-Y468 HydrophobicContact CE-CG 3.58Å; M421-Y468 HydrophobicContact CG-CD1 3.65Å; M421-Y468 HydrophobicContact CG-CD2 4.47Å; M421-Y468 HydrophobicContact CG-CE1 3.86Å; M421-Y468 HydrophobicContact CG-CG 3.99Å; M421-Y468 HydrophobicContact SD-CD1 4.26Å; M421-Y468 HydrophobicContact SD-CG 4.24Å |
| 422 | A | 89.3 | Confident | 87.3 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 37% | 0.372 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.6 | -33.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | H418 M419 G420 K426 | H418-A422 PolarHBondContact O-N 3.19Å; M419-A422 WeakPolarHBondContact O-CB 3.43Å; M419-A422 PolarHBondContact O-N 3.46Å; M419-A422 VanDerWaalsContact O-N 3.16Å; G420-A422 VanDerWaalsContact C-N 3.34Å; G420-A422 PolarHBondContact O-N 3.35Å; A422-K426 WeakPolarHBondContact O-CB 3.19Å; A422-K426 PolarHBondContact O-N 2.87Å |
| 423 | I | 87.9 | Confident | 87.1 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65 | -50.4 | 172.8 | -68.5 | -65.3 | 0 | 0 | 0 | 110.4 | F381 R385 F390 M419 G420 M421 E425 K426 Y427 | F381-I423 HydrophobicContact CE2-CD1 3.58Å; F381-I423 HydrophobicContact CE2-CG1 3.44Å; F381-I423 VanDerWaalsContact CE2-CG1 3.44Å; F381-I423 HydrophobicContact CZ-CD1 3.88Å; F381-I423 HydrophobicContact CZ-CG1 3.76Å; R385-I423 HydrophobicContact CB-CD1 4.5Å; F390-I423 HydrophobicContact CB-CD1 4.3Å; F390-I423 HydrophobicContact CB-CG1 4.14Å; F390-I423 HydrophobicContact CB-CG2 4.49Å; F390-I423 HydrophobicContact CD1-CB 4.19Å; F390-I423 HydrophobicContact CD1-CG1 4.08Å; F390-I423 HydrophobicContact CD1-CG2 3.85Å; F390-I423 HydrophobicContact CD2-CG1 4.09Å; F390-I423 HydrophobicContact CE1-CG2 4.48Å; F390-I423 HydrophobicContact CG-CB 4.45Å; F390-I423 HydrophobicContact CG-CG1 3.85Å; F390-I423 HydrophobicContact CG-CG2 4.3Å; M419-I423 PolarHBondContact O-N 3.29Å; M419-I423 VanDerWaalsContact O-N 3.11Å; G420-I423 PolarHBondContact O-N 3.16Å; M421-I423 VanDerWaalsContact C-N 3.29Å; M421-I423 PolarHBondContact O-N 3.44Å; I423-E425 VanDerWaalsContact C-N 3.25Å; I423-E425 PolarHBondContact O-N 3.48Å; I423-K426 WeakPolarHBondContact O-CA 3.34Å; I423-K426 WeakPolarHBondContact O-CB 3.47Å; I423-K426 PolarHBondContact O-N 2.93Å; I423-Y427 HydrophobicContact CG2-CD2 3.96Å; I423-Y427 WeakPolarHBondContact O-CD2 3.34Å; I423-Y427 PolarHBondContact O-N 2.85Å |
| 424 | Y | 89.2 | Confident | 86.7 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 4% | 0.039 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -77.1 | -8.4 | -177.5 | -63.1 | -56.2 | 0 | 0 | 0 | 114.2 | F390 G420 M421 I429 L438 F439 Y442 Y468 | F390-Y424 AromaticContact CE1-CE2 3.95Å; F390-Y424 HydrophobicContact CE1-CE2 3.95Å; G420-Y424 WeakPolarHBondContact O-CD2 3.22Å; G420-Y424 PolarHBondContact O-N 2.91Å; G420-Y424 VanDerWaalsContact O-N 3.14Å; M421-Y424 CarbonylContact O-C 3.54Å; M421-Y424 PolarHBondContact O-N 3.27Å; Y424-I429 HydrophobicContact CD1-CG2 3.23Å; Y424-I429 HydrophobicContact CE1-CG2 3.97Å; Y424-I429 HydrophobicContact CG-CG2 3.94Å; Y424-L438 WeakPolarHBondContact OH-CG 3.24Å; Y424-L438 PolarHBondContact OH-O 3.02Å; Y424-F439 AromaticContact CD1-CD2 3.99Å; Y424-F439 HydrophobicContact CD1-CD2 3.99Å; Y424-F439 AromaticContact CD2-CD2 3.76Å; Y424-F439 HydrophobicContact CD2-CD2 3.76Å; Y424-F439 HydrophobicContact CD2-CE2 4.14Å; Y424-F439 HydrophobicContact CE1-CB 3.93Å; Y424-F439 AromaticContact CE1-CD2 3.86Å; Y424-F439 HydrophobicContact CE1-CD2 3.86Å; Y424-F439 HydrophobicContact CE1-CG 4.41Å; Y424-F439 AromaticContact CE2-CD2 3.69Å; Y424-F439 HydrophobicContact CE2-CD2 3.69Å; Y424-F439 HydrophobicContact CE2-CE2 4.38Å; Y424-F439 AromaticContact CG-CD2 3.93Å; Y424-F439 HydrophobicContact CG-CD2 3.93Å; Y424-F439 HydrophobicContact CG-CE2 4.39Å; Y424-F439 AromaticContact CZ-CD2 3.73Å; Y424-F439 WeakPolarHBondContact OH-CA 3.15Å; Y424-F439 PolarHBondContact OH-N 3.03Å; Y424-Y442 AromaticContact CD2-CD1 3.97Å; Y424-Y442 HydrophobicContact CD2-CD1 3.97Å; Y424-Y442 HydrophobicContact CD2-CE1 4.15Å; Y424-Y442 AromaticContact CE2-CD1 3.44Å; Y424-Y442 HydrophobicContact CE2-CD1 3.44Å; Y424-Y442 VanDerWaalsContact CE2-CD1 3.44Å; Y424-Y442 HydrophobicContact CE2-CE1 4.03Å; Y424-Y442 AromaticContact CE2-CG 3.88Å; Y424-Y442 HydrophobicContact CE2-CG 3.88Å; Y424-Y468 WeakPolarHBondContact CB-OH 3.47Å |
| 425 | E | 88.7 | Confident | 86.5 | Confident | 141 Ų | 141 | 50.5 Ų | 50.5 | 66% | 0.659 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -80 | -31.5 | 162.4 | -74.1 | -176.7 | 162.9 | 0 | 0 | 112.3 | M421 I423 Y468 | M421-E425 WeakPolarHBondContact O-CG 3.45Å; M421-E425 PolarHBondContact O-N 3.24Å; I423-E425 VanDerWaalsContact C-N 3.25Å; I423-E425 PolarHBondContact O-N 3.48Å; E425-Y468 HydrophobicContact CG-CD2 4.29Å; E425-Y468 HydrophobicContact CG-CE2 3.54Å |
| 426 | K | 85.2 | Confident | 86.4 | Confident | 120 Ų | 120 | 48.6 Ų | 48.6 | 52% | 0.522 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -82.5 | -37.9 | -179.3 | -178 | -176.4 | 170.1 | -160.6 | 0 | 112.4 | R385 A422 I423 | R385-K426 PolarHBondContact O-NZ 3.41Å; A422-K426 WeakPolarHBondContact O-CB 3.19Å; A422-K426 PolarHBondContact O-N 2.87Å; I423-K426 WeakPolarHBondContact O-CA 3.34Å; I423-K426 WeakPolarHBondContact O-CB 3.47Å; I423-K426 PolarHBondContact O-N 2.93Å |
| 427 | Y | 83.4 | Confident | 86 | Confident | 55 Ų | 55 | 50.5 Ų | 50.5 | 22% | 0.216 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -105.6 | 137.1 | -178 | -67.6 | -84.3 | 0 | 0 | 0 | 111.1 | R385 T386 V387 I423 I429 | R385-Y427 VanDerWaalsContact O-CE2 3.25Å; R385-Y427 WeakPolarHBondContact O-CE2 3.2Å; R385-Y427 PolarHBondContact O-OH 3.44Å; T386-Y427 WeakPolarHBondContact CA-OH 3.15Å; V387-Y427 HydrophobicContact CG2-CD1 3.55Å; V387-Y427 HydrophobicContact CG2-CD2 3.74Å; V387-Y427 HydrophobicContact CG2-CE1 3.85Å; V387-Y427 HydrophobicContact CG2-CE2 4.02Å; V387-Y427 HydrophobicContact CG2-CG 3.51Å; I423-Y427 HydrophobicContact CG2-CD2 3.96Å; I423-Y427 WeakPolarHBondContact O-CD2 3.34Å; I423-Y427 PolarHBondContact O-N 2.85Å; Y427-I429 PolarHBondContact O-N 2.91Å |
| 428 | D | 81.7 | Confident | 85.7 | Confident | 84 Ų | 84 | 50.8 Ų | 50.8 | 45% | 0.449 | 26% | 0.263 | S | S | . | . | trans | -80.1 | 99 | 177.9 | -178.7 | 10.7 | 0 | 0 | 0 | 110.9 | W430 S431 D432 | D428-W430 PolarHBondContact O-N 3Å; D428-W430 WeakPolarHBondContact OD1-CB 3.47Å; D428-W430 PolarHBondContact OD1-N 2.9Å; D428-S431 PolarHBondContact O-N 3.41Å; D428-S431 VanDerWaalsContact O-N 3.11Å; D428-S431 PolarHBondContact O-OG 3.32Å; D428-S431 PolarHBondContact OD2-OG 3.26Å; D428-D432 PolarHBondContact O-N 3.26Å | ||
| 429 | I | 85.8 | Confident | 85.6 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.4 | 177.3 | 63.2 | 162.8 | 0 | 0 | 0 | 113.6 | Y424 Y427 Q436 F439 L472 V485 | Y424-I429 HydrophobicContact CD1-CG2 3.23Å; Y424-I429 HydrophobicContact CE1-CG2 3.97Å; Y424-I429 HydrophobicContact CG-CG2 3.94Å; Y427-I429 PolarHBondContact O-N 2.91Å; I429-Q436 WeakPolarHBondContact O-CG 3.41Å; I429-Q436 PolarHBondContact O-NE2 3.27Å; I429-F439 HydrophobicContact CG2-CD2 4.39Å; I429-L472 HydrophobicContact CD1-CD1 3.66Å; I429-L472 HydrophobicContact CD1-CD2 3.88Å; I429-L472 HydrophobicContact CD1-CG 3.92Å; I429-L472 HydrophobicContact CG1-CD1 4.27Å; I429-V485 HydrophobicContact CD1-CG1 4.36Å |
| 430 | W | 83.7 | Confident | 85.6 | Confident | 73 Ų | 73 | 46.8 Ų | 46.8 | 28% | 0.277 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -21.3 | -177.9 | -47.9 | 118.4 | 0 | 0 | 0 | 112.7 | D428 Q436 L472 A476 T481 V485 L489 | D428-W430 PolarHBondContact O-N 3Å; D428-W430 WeakPolarHBondContact OD1-CB 3.47Å; D428-W430 PolarHBondContact OD1-N 2.9Å; W430-Q436 PolarHBondContact O-NE2 3.45Å; W430-L472 HydrophobicContact CZ2-CD1 4.06Å; W430-L472 HydrophobicContact CZ2-CG 4.39Å; W430-L472 WeakPolarHBondContact CZ2-O 3.3Å; W430-A476 HydrophobicContact CH2-CB 3.65Å; W430-A476 HydrophobicContact CZ2-CB 4.16Å; W430-A476 HydrophobicContact CZ3-CB 4.25Å; W430-T481 HydrophobicContact CE3-CG2 4.17Å; W430-T481 HydrophobicContact CH2-CG2 4.36Å; W430-T481 HydrophobicContact CZ3-CG2 3.51Å; W430-V485 HydrophobicContact CH2-CG1 4.5Å; W430-V485 HydrophobicContact CZ3-CG1 3.89Å; W430-L489 HydrophobicContact CH2-CD1 4.01Å |
| 431 | S | 78.9 | Confident | 85.4 | Confident | 92 Ų | 92 | 48.9 Ų | 48.9 | 64% | 0.643 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | -18.2 | -174.4 | 70.1 | 0 | 0 | 0 | 0 | 114.6 | D428 | D428-S431 PolarHBondContact O-N 3.41Å; D428-S431 VanDerWaalsContact O-N 3.11Å; D428-S431 PolarHBondContact O-OG 3.32Å; D428-S431 PolarHBondContact OD2-OG 3.26Å |
| 432 | D | 82.5 | Confident | 85.3 | Confident | 47 Ų | 47 | 48.4 Ų | 48.4 | 25% | 0.251 | 26% | 0.255 | S | S | . | . | trans | -107.4 | 114.1 | -174 | -174.4 | -27.6 | 0 | 0 | 0 | 111.4 | D428 E434 A435 Q436 | D428-D432 PolarHBondContact O-N 3.26Å; D432-E434 VanDerWaalsContact C-N 3.33Å; D432-E434 PolarHBondContact O-N 3.03Å; D432-E434 WeakPolarHBondContact OD1-CA 3.36Å; D432-E434 WeakPolarHBondContact OD1-CB 3.08Å; D432-E434 PolarHBondContact OD1-N 2.6Å; D432-A435 HydrophobicContact CB-CB 3.77Å; D432-A435 PolarHBondContact O-N 3.48Å; D432-A435 PolarHBondContact OD1-N 3.1Å; D432-A435 VanDerWaalsContact OD1-N 3.07Å; D432-Q436 VanDerWaalsContact O-CG 3.28Å; D432-Q436 WeakPolarHBondContact O-CG 3.38Å; D432-Q436 PolarHBondContact O-N 3.38Å | ||
| 433 | L | 81.4 | Confident | 85.5 | Confident | 137 Ų | 137 | 46.2 Ų | 46.2 | 72% | 0.717 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -65.4 | -33.7 | 179.7 | -67.5 | 175.6 | 0 | 0 | 0 | 112.8 | Q436 A437 | L433-Q436 PolarHBondContact O-N 2.85Å; L433-A437 PolarHBondContact O-N 3.1Å; L433-A437 VanDerWaalsContact O-N 3.14Å |
| 434 | E | 80.8 | Confident | 85.6 | Confident | 95 Ų | 95 | 48.7 Ų | 48.7 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.1 | -42 | 177.7 | -166.1 | -175.9 | 167.3 | 0 | 0 | 109.8 | V387 S388 D432 Q436 A437 L438 | V387-E434 HydrophobicContact CG1-CB 4.13Å; V387-E434 HydrophobicContact CG1-CG 3.8Å; S388-E434 WeakPolarHBondContact CA-OE1 3.37Å; D432-E434 VanDerWaalsContact C-N 3.33Å; D432-E434 PolarHBondContact O-N 3.03Å; D432-E434 WeakPolarHBondContact OD1-CA 3.36Å; D432-E434 WeakPolarHBondContact OD1-CB 3.08Å; D432-E434 PolarHBondContact OD1-N 2.6Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 3.02Å; E434-A437 PolarHBondContact O-N 3.29Å; E434-L438 WeakPolarHBondContact O-CB 3.45Å; E434-L438 PolarHBondContact O-N 2.84Å; E434-L438 VanDerWaalsContact O-N 3.09Å |
| 435 | A | 86 | Confident | 85.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -36.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V387 D432 L438 F439 | V387-A435 HydrophobicContact CG1-CB 4.33Å; V387-A435 HydrophobicContact CG2-CB 4.38Å; D432-A435 HydrophobicContact CB-CB 3.77Å; D432-A435 PolarHBondContact O-N 3.48Å; D432-A435 PolarHBondContact OD1-N 3.1Å; D432-A435 VanDerWaalsContact OD1-N 3.07Å; A435-L438 PolarHBondContact O-N 3.26Å; A435-F439 VanDerWaalsContact O-CB 3.26Å; A435-F439 WeakPolarHBondContact O-CB 3.31Å; A435-F439 PolarHBondContact O-N 2.78Å |
| 436 | Q | 86 | Confident | 85.9 | Confident | 17 Ų | 17 | 41.5 Ų | 41.5 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.7 | -48 | 176.8 | -73.1 | 169 | 16.2 | 0 | 0 | 112.4 | I429 W430 D432 L433 E434 L438 F439 N440 P482 V485 | I429-Q436 WeakPolarHBondContact O-CG 3.41Å; I429-Q436 PolarHBondContact O-NE2 3.27Å; W430-Q436 PolarHBondContact O-NE2 3.45Å; D432-Q436 VanDerWaalsContact O-CG 3.28Å; D432-Q436 WeakPolarHBondContact O-CG 3.38Å; D432-Q436 PolarHBondContact O-N 3.38Å; L433-Q436 PolarHBondContact O-N 2.85Å; E434-Q436 VanDerWaalsContact C-N 3.33Å; E434-Q436 PolarHBondContact O-N 3.02Å; Q436-L438 VanDerWaalsContact C-N 3.31Å; Q436-L438 PolarHBondContact O-N 3.11Å; Q436-F439 WeakPolarHBondContact O-CB 3.46Å; Q436-F439 PolarHBondContact O-N 3.41Å; Q436-N440 PolarHBondContact O-N 3.27Å; Q436-P482 HydrophobicContact CG-CG 4.45Å; Q436-V485 HydrophobicContact CB-CG2 4.31Å; Q436-V485 HydrophobicContact CG-CG2 4.2Å |
| 437 | A | 81 | Confident | 86.3 | Confident | 40 Ų | 40 | 36.7 Ų | 36.7 | 33% | 0.331 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.9 | -42.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L433 E434 F439 N440 | L433-A437 PolarHBondContact O-N 3.1Å; L433-A437 VanDerWaalsContact O-N 3.14Å; E434-A437 PolarHBondContact O-N 3.29Å; A437-F439 VanDerWaalsContact C-N 3.32Å; A437-F439 PolarHBondContact O-N 3.25Å; A437-N440 PolarHBondContact O-N 3.47Å |
| 438 | L | 85.8 | Confident | 86.6 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.8 | -32.3 | 177.7 | -171.5 | 51.6 | 0 | 0 | 0 | 112.9 | V387 F390 Y424 E434 A435 Q436 N440 T441 Y442 | V387-L438 HydrophobicContact CG1-CD2 3.89Å; V387-L438 WeakPolarHBondContact O-CD2 3.42Å; F390-L438 HydrophobicContact CB-CD2 4.07Å; F390-L438 HydrophobicContact CD1-CD1 4.5Å; F390-L438 HydrophobicContact CD1-CD2 3.34Å; F390-L438 HydrophobicContact CD1-CG 3.9Å; F390-L438 HydrophobicContact CE1-CD2 4.12Å; F390-L438 HydrophobicContact CE1-CG 4.18Å; F390-L438 HydrophobicContact CG-CD2 4.08Å; Y424-L438 WeakPolarHBondContact OH-CG 3.24Å; Y424-L438 PolarHBondContact OH-O 3.02Å; E434-L438 WeakPolarHBondContact O-CB 3.45Å; E434-L438 PolarHBondContact O-N 2.84Å; E434-L438 VanDerWaalsContact O-N 3.09Å; A435-L438 PolarHBondContact O-N 3.26Å; Q436-L438 VanDerWaalsContact C-N 3.31Å; Q436-L438 PolarHBondContact O-N 3.11Å; L438-N440 VanDerWaalsContact C-N 3.31Å; L438-N440 PolarHBondContact O-N 3.32Å; L438-T441 PolarHBondContact O-N 3.07Å; L438-Y442 WeakPolarHBondContact O-CB 3.4Å; L438-Y442 PolarHBondContact O-N 3.08Å |
| 439 | F | 90.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.3 | -36.2 | -179.8 | -173.9 | -95.5 | 0 | 0 | 0 | 112.3 | Y424 I429 A435 Q436 A437 Y442 C443 F469 L472 V485 L489 | Y424-F439 AromaticContact CD1-CD2 3.99Å; Y424-F439 HydrophobicContact CD1-CD2 3.99Å; Y424-F439 AromaticContact CD2-CD2 3.76Å; Y424-F439 HydrophobicContact CD2-CD2 3.76Å; Y424-F439 HydrophobicContact CD2-CE2 4.14Å; Y424-F439 HydrophobicContact CE1-CB 3.93Å; Y424-F439 AromaticContact CE1-CD2 3.86Å; Y424-F439 HydrophobicContact CE1-CD2 3.86Å; Y424-F439 HydrophobicContact CE1-CG 4.41Å; Y424-F439 AromaticContact CE2-CD2 3.69Å; Y424-F439 HydrophobicContact CE2-CD2 3.69Å; Y424-F439 HydrophobicContact CE2-CE2 4.38Å; Y424-F439 AromaticContact CG-CD2 3.93Å; Y424-F439 HydrophobicContact CG-CD2 3.93Å; Y424-F439 HydrophobicContact CG-CE2 4.39Å; Y424-F439 AromaticContact CZ-CD2 3.73Å; Y424-F439 WeakPolarHBondContact OH-CA 3.15Å; Y424-F439 PolarHBondContact OH-N 3.03Å; I429-F439 HydrophobicContact CG2-CD2 4.39Å; A435-F439 VanDerWaalsContact O-CB 3.26Å; A435-F439 WeakPolarHBondContact O-CB 3.31Å; A435-F439 PolarHBondContact O-N 2.78Å; Q436-F439 WeakPolarHBondContact O-CB 3.46Å; Q436-F439 PolarHBondContact O-N 3.41Å; A437-F439 VanDerWaalsContact C-N 3.32Å; A437-F439 PolarHBondContact O-N 3.25Å; F439-Y442 PolarHBondContact O-N 3.32Å; F439-C443 WeakPolarHBondContact CE1-SG 3.11Å; F439-C443 VanDerWaalsContact CZ-SG 3.53Å; F439-C443 WeakPolarHBondContact O-CB 3.33Å; F439-C443 PolarHBondContact O-N 3.28Å; F439-C443 PolarHBondContact O-SG 3.12Å; F439-F469 HydrophobicContact CE2-CE1 4.11Å; F439-F469 HydrophobicContact CZ-CD1 4.4Å; F439-F469 AromaticContact CZ-CE1 3.95Å; F439-F469 HydrophobicContact CZ-CE1 3.95Å; F439-L472 HydrophobicContact CE2-CD2 3.87Å; F439-L472 HydrophobicContact CZ-CD2 3.94Å; F439-V485 HydrophobicContact CD1-CG1 3.89Å; F439-V485 HydrophobicContact CE1-CG1 3.95Å; F439-L489 HydrophobicContact CE1-CD2 3.95Å; F439-L489 HydrophobicContact CE1-CG 3.89Å; F439-L489 HydrophobicContact CZ-CD2 3.52Å; F439-L489 HydrophobicContact CZ-CG 4.01Å |
| 440 | N | 86.8 | Confident | 87.5 | Confident | 2 Ų | 2 | 35.6 Ų | 35.6 | 1% | 0.011 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.6 | -50.3 | 173.4 | -77.3 | -1.3 | 0 | 0 | 0 | 111.7 | Q436 A437 L438 Y442 C443 Y444 H484 E540 F544 | Q436-N440 PolarHBondContact O-N 3.27Å; A437-N440 PolarHBondContact O-N 3.47Å; L438-N440 VanDerWaalsContact C-N 3.31Å; L438-N440 PolarHBondContact O-N 3.32Å; N440-Y442 PolarHBondContact O-N 2.82Å; N440-C443 PolarHBondContact O-N 3.27Å; N440-C443 VanDerWaalsContact O-N 3.11Å; N440-Y444 WeakPolarHBondContact O-CB 3.3Å; N440-Y444 PolarHBondContact O-N 3.44Å; N440-H484 WeakPolarHBondContact ND2-CB 3.3Å; N440-H484 PolarHBondContact ND2-CD2 3.23Å; N440-H484 PolarHBondContact OD1-CD2 3.42Å; N440-E540 PolarHBondContact ND2-OE2 3.03Å; N440-F544 HydrophobicContact CB-CE2 4.13Å; N440-F544 HydrophobicContact CB-CZ 4.38Å; N440-F544 WeakPolarHBondContact O-CZ 3.33Å |
| 441 | T | 85.4 | Confident | 88 | Confident | 45 Ų | 45 | 32.2 Ų | 32.2 | 28% | 0.276 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.5 | -43.1 | 176.6 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | L438 Y444 L445 | L438-T441 PolarHBondContact O-N 3.07Å; T441-Y444 PolarHBondContact O-N 3.06Å; T441-L445 HydrophobicContact CG2-CD1 4.48Å; T441-L445 WeakPolarHBondContact O-CG 3.33Å; T441-L445 PolarHBondContact O-N 3.07Å |
| 442 | Y | 91.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 175.6 | 179.7 | -121.4 | 0 | 0 | 0 | 112.3 | F390 Y416 V417 Y424 L438 F439 N440 Y444 L445 L446 F469 | F390-Y442 HydrophobicContact CZ-CD2 4.17Å; Y416-Y442 HydrophobicContact CD1-CE2 4.34Å; Y416-Y442 AromaticContact CE1-CD2 3.93Å; Y416-Y442 HydrophobicContact CE1-CD2 3.93Å; Y416-Y442 AromaticContact CE1-CE2 3.69Å; Y416-Y442 HydrophobicContact CE1-CE2 3.69Å; Y416-Y442 AromaticContact CZ-CD2 3.92Å; Y416-Y442 WeakPolarHBondContact OH-CD2 3.3Å; V417-Y442 VanDerWaalsContact CA-OH 3.3Å; V417-Y442 WeakPolarHBondContact CA-OH 3.26Å; V417-Y442 PolarHBondContact O-OH 3.03Å; Y424-Y442 AromaticContact CD2-CD1 3.97Å; Y424-Y442 HydrophobicContact CD2-CD1 3.97Å; Y424-Y442 HydrophobicContact CD2-CE1 4.15Å; Y424-Y442 AromaticContact CE2-CD1 3.44Å; Y424-Y442 HydrophobicContact CE2-CD1 3.44Å; Y424-Y442 VanDerWaalsContact CE2-CD1 3.44Å; Y424-Y442 HydrophobicContact CE2-CE1 4.03Å; Y424-Y442 AromaticContact CE2-CG 3.88Å; Y424-Y442 HydrophobicContact CE2-CG 3.88Å; L438-Y442 WeakPolarHBondContact O-CB 3.4Å; L438-Y442 PolarHBondContact O-N 3.08Å; F439-Y442 PolarHBondContact O-N 3.32Å; N440-Y442 PolarHBondContact O-N 2.82Å; Y442-Y444 VanDerWaalsContact C-N 3.32Å; Y442-Y444 PolarHBondContact O-N 3.43Å; Y442-L445 PolarHBondContact O-N 3.33Å; Y442-L446 HydrophobicContact CD1-CD1 4Å; Y442-L446 HydrophobicContact CD2-CG 4.31Å; Y442-L446 HydrophobicContact CE1-CD1 3.55Å; Y442-L446 HydrophobicContact CE1-CG 4.24Å; Y442-L446 HydrophobicContact CE2-CD1 4.17Å; Y442-L446 HydrophobicContact CE2-CD2 3.91Å; Y442-L446 HydrophobicContact CE2-CG 3.96Å; Y442-L446 WeakPolarHBondContact O-CG 3.31Å; Y442-L446 PolarHBondContact O-N 3.05Å; Y442-F469 HydrophobicContact CE1-CE1 4.46Å; Y442-F469 AromaticContact CE1-CZ 3.82Å; Y442-F469 HydrophobicContact CE1-CZ 3.82Å |
| 443 | C | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 175.2 | -72.4 | 0 | 0 | 0 | 0 | 112.2 | F439 N440 L445 L446 L447 I492 F544 | F439-C443 WeakPolarHBondContact CE1-SG 3.11Å; F439-C443 VanDerWaalsContact CZ-SG 3.53Å; F439-C443 WeakPolarHBondContact O-CB 3.33Å; F439-C443 PolarHBondContact O-N 3.28Å; F439-C443 PolarHBondContact O-SG 3.12Å; N440-C443 PolarHBondContact O-N 3.27Å; N440-C443 VanDerWaalsContact O-N 3.11Å; C443-L445 VanDerWaalsContact C-N 3.31Å; C443-L445 PolarHBondContact O-N 2.9Å; C443-L446 PolarHBondContact O-N 2.98Å; C443-L447 VanDerWaalsContact O-CG 3.29Å; C443-L447 WeakPolarHBondContact O-CG 3.46Å; C443-L447 PolarHBondContact O-N 3.35Å; C443-I492 HydrophobicContact CB-CG1 4.17Å; C443-I492 WeakPolarHBondContact O-CD1 3.49Å; C443-F544 HydrophobicContact CB-CE1 4.02Å; C443-F544 HydrophobicContact CB-CZ 4.08Å |
| 444 | Y | 90.4 | Very high | 89.8 | Confident | 54 Ų | 54 | 25.6 Ų | 25.6 | 21% | 0.212 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.8 | -46 | 176.6 | 174.5 | -92.2 | 0 | 0 | 0 | 111.3 | H398 V402 N440 T441 Y442 L447 K448 E543 | H398-Y444 AromaticContact NE2-CD1 3.73Å; H398-Y444 AromaticContact NE2-CE1 3.29Å; H398-Y444 VanDerWaalsContact NE2-CE1 3.29Å; H398-Y444 WeakPolarHBondContact NE2-CE1 3.28Å; V402-Y444 HydrophobicContact CG2-CE1 4.32Å; N440-Y444 WeakPolarHBondContact O-CB 3.3Å; N440-Y444 PolarHBondContact O-N 3.44Å; T441-Y444 PolarHBondContact O-N 3.06Å; Y442-Y444 VanDerWaalsContact C-N 3.32Å; Y442-Y444 PolarHBondContact O-N 3.43Å; Y444-L447 WeakPolarHBondContact O-CB 3.43Å; Y444-L447 PolarHBondContact O-N 3.35Å; Y444-K448 WeakPolarHBondContact OH-CE 3.48Å; Y444-K448 PolarHBondContact OH-NZ 3.36Å; Y444-E543 VanDerWaalsContact CE2-OE1 3.24Å; Y444-E543 WeakPolarHBondContact CE2-OE1 3.48Å |
| 445 | L | 90.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.8 | -41.6 | 178.1 | -71.1 | 175.5 | 0 | 0 | 0 | 112.7 | H398 I401 V402 Y416 T441 Y442 C443 L447 K448 | H398-L445 HydrophobicContact CB-CD1 4.12Å; H398-L445 HydrophobicContact CB-CD2 4.15Å; H398-L445 VanDerWaalsContact CD2-CD2 3.44Å; H398-L445 WeakPolarHBondContact CD2-CD2 3.3Å; I401-L445 HydrophobicContact CB-CD2 4.23Å; I401-L445 HydrophobicContact CD1-CD1 4.44Å; I401-L445 HydrophobicContact CG2-CD2 4.23Å; V402-L445 HydrophobicContact CG2-CD2 3.78Å; Y416-L445 HydrophobicContact CE1-CB 4.41Å; Y416-L445 WeakPolarHBondContact OH-CD1 3.39Å; T441-L445 HydrophobicContact CG2-CD1 4.48Å; T441-L445 WeakPolarHBondContact O-CG 3.33Å; T441-L445 PolarHBondContact O-N 3.07Å; Y442-L445 PolarHBondContact O-N 3.33Å; C443-L445 VanDerWaalsContact C-N 3.31Å; C443-L445 PolarHBondContact O-N 2.9Å; L445-L447 PolarHBondContact O-N 3.35Å; L445-K448 WeakPolarHBondContact O-CB 3.28Å; L445-K448 PolarHBondContact O-N 2.81Å |
| 446 | L | 94.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.5 | -36.2 | 173.6 | -70.4 | -176.2 | 0 | 0 | 0 | 112.2 | V417 Y442 C443 K448 L449 W451 F469 I492 | V417-L446 HydrophobicContact CB-CD2 4.22Å; V417-L446 HydrophobicContact CG1-CD2 4.03Å; V417-L446 HydrophobicContact CG2-CD2 3.56Å; Y442-L446 HydrophobicContact CD1-CD1 4Å; Y442-L446 HydrophobicContact CD2-CG 4.31Å; Y442-L446 HydrophobicContact CE1-CD1 3.55Å; Y442-L446 HydrophobicContact CE1-CG 4.24Å; Y442-L446 HydrophobicContact CE2-CD1 4.17Å; Y442-L446 HydrophobicContact CE2-CD2 3.91Å; Y442-L446 HydrophobicContact CE2-CG 3.96Å; Y442-L446 WeakPolarHBondContact O-CG 3.31Å; Y442-L446 PolarHBondContact O-N 3.05Å; C443-L446 PolarHBondContact O-N 2.98Å; L446-K448 PolarHBondContact O-N 3.23Å; L446-L449 HydrophobicContact CD2-CD1 3.74Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 3.05Å; L446-W451 HydrophobicContact CB-CZ2 4.2Å; L446-W451 HydrophobicContact CD2-CH2 4.31Å; L446-W451 HydrophobicContact CD2-CZ2 4.02Å; L446-W451 PolarHBondContact O-NE1 3.09Å; L446-F469 HydrophobicContact CD1-CE1 4.25Å; L446-F469 HydrophobicContact CD1-CE2 3.63Å; L446-F469 HydrophobicContact CD1-CZ 3.26Å; L446-I492 HydrophobicContact CB-CD1 3.36Å; L446-I492 HydrophobicContact CD1-CD1 4.1Å; L446-I492 HydrophobicContact CG-CD1 4.41Å |
| 447 | L | 93.2 | Very high | 91 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 10% | 0.099 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -15.1 | 176 | -69.6 | 168.9 | 0 | 0 | 0 | 113.6 | C443 Y444 L445 A491 I492 T495 F544 K547 | C443-L447 VanDerWaalsContact O-CG 3.29Å; C443-L447 WeakPolarHBondContact O-CG 3.46Å; C443-L447 PolarHBondContact O-N 3.35Å; Y444-L447 WeakPolarHBondContact O-CB 3.43Å; Y444-L447 PolarHBondContact O-N 3.35Å; L445-L447 PolarHBondContact O-N 3.35Å; L447-A491 HydrophobicContact CD1-CB 3.86Å; L447-A491 HydrophobicContact CD2-CB 4.09Å; L447-I492 HydrophobicContact CD2-CD1 3.69Å; L447-I492 HydrophobicContact CD2-CG1 4.37Å; L447-I492 HydrophobicContact CG-CD1 3.63Å; L447-I492 HydrophobicContact CG-CG1 4.43Å; L447-T495 HydrophobicContact CD2-CG2 4.28Å; L447-T495 WeakPolarHBondContact CD2-OG1 3.45Å; L447-F544 HydrophobicContact CD1-CD1 3.56Å; L447-F544 HydrophobicContact CD1-CE1 3.63Å; L447-K547 HydrophobicContact CB-CD 4.31Å; L447-K547 HydrophobicContact CD1-CD 3.62Å; L447-K547 HydrophobicContact CG-CD 4.41Å |
| 448 | K | 90.5 | Very high | 91.6 | Very high | 75 Ų | 75 | 28.6 Ų | 28.6 | 33% | 0.326 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -27.8 | 174.3 | -57.8 | -63.1 | -179.8 | 168.7 | 0 | 112 | V402 I405 Y444 L445 L446 | V402-K448 HydrophobicContact CG2-CG 4.32Å; I405-K448 VanDerWaalsContact CD1-C 3.45Å; I405-K448 HydrophobicContact CD1-CB 4.43Å; I405-K448 WeakPolarHBondContact CD1-O 3.38Å; Y444-K448 WeakPolarHBondContact OH-CE 3.48Å; Y444-K448 PolarHBondContact OH-NZ 3.36Å; L445-K448 WeakPolarHBondContact O-CB 3.28Å; L445-K448 PolarHBondContact O-N 2.81Å; L446-K448 PolarHBondContact O-N 3.23Å |
| 449 | L | 92.9 | Very high | 92 | Very high | 9 Ų | 9 | 35.1 Ų | 35.1 | 5% | 0.047 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -59.5 | 147.2 | -171.7 | -61.7 | -176.3 | 0 | 0 | 0 | 114.1 | I401 L413 V417 L446 W451 L454 | I401-L449 HydrophobicContact CG2-CD2 3.85Å; L413-L449 HydrophobicContact CD2-CD2 3.86Å; V417-L449 HydrophobicContact CG2-CD1 3.54Å; L446-L449 HydrophobicContact CD2-CD1 3.74Å; L446-L449 WeakPolarHBondContact O-CB 3.45Å; L446-L449 PolarHBondContact O-N 3.05Å; L449-W451 VanDerWaalsContact C-N 3.25Å; L449-W451 HydrophobicContact CB-CD2 4.32Å; L449-W451 HydrophobicContact CB-CZ2 4.19Å; L449-W451 HydrophobicContact CD1-CH2 3.96Å; L449-W451 HydrophobicContact CD1-CZ2 3.74Å; L449-W451 HydrophobicContact CG-CZ2 4.46Å; L449-W451 VanDerWaalsContact O-CD1 3.26Å; L449-W451 PolarHBondContact O-N 2.62Å; L449-L454 HydrophobicContact CB-CD1 4.34Å |
| 450 | P | 92.2 | Very high | 92.3 | Very high | 35 Ų | 35 | 38.9 Ų | 38.9 | 23% | 0.227 | 22% | 0.224 | C | C | . | . | trans | -83.9 | 70.3 | -178.1 | 35.4 | -28.3 | 0 | 0 | 0 | 109.8 | I405 L413 D452 T453 L454 | I405-P450 HydrophobicContact CD1-CG 4.39Å; I405-P450 HydrophobicContact CG1-CG 4.16Å; L413-P450 HydrophobicContact CD1-CG 4.06Å; P450-D452 VanDerWaalsContact C-N 3.29Å; P450-D452 PolarHBondContact O-N 2.89Å; P450-T453 WeakPolarHBondContact O-CB 3.49Å; P450-T453 PolarHBondContact O-N 3.33Å; P450-T453 VanDerWaalsContact O-N 3.09Å; P450-L454 HydrophobicContact CG-CG 4.46Å; P450-L454 WeakPolarHBondContact O-CG 3.42Å; P450-L454 PolarHBondContact O-N 2.73Å | ||
| 451 | W | 95 | Very high | 92.6 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 1% | 0.008 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59.4 | -33.8 | -169.5 | -73.1 | 111.8 | 0 | 0 | 0 | 115 | V417 L446 L449 L454 A455 V462 V465 L496 K499 C500 | V417-W451 HydrophobicContact CG1-CH2 4.24Å; V417-W451 HydrophobicContact CG2-CH2 3.93Å; L446-W451 HydrophobicContact CB-CZ2 4.2Å; L446-W451 HydrophobicContact CD2-CH2 4.31Å; L446-W451 HydrophobicContact CD2-CZ2 4.02Å; L446-W451 PolarHBondContact O-NE1 3.09Å; L449-W451 VanDerWaalsContact C-N 3.25Å; L449-W451 HydrophobicContact CB-CD2 4.32Å; L449-W451 HydrophobicContact CB-CZ2 4.19Å; L449-W451 HydrophobicContact CD1-CH2 3.96Å; L449-W451 HydrophobicContact CD1-CZ2 3.74Å; L449-W451 HydrophobicContact CG-CZ2 4.46Å; L449-W451 VanDerWaalsContact O-CD1 3.26Å; L449-W451 PolarHBondContact O-N 2.62Å; W451-L454 HydrophobicContact CE3-CD1 3.97Å; W451-L454 HydrophobicContact CZ3-CD1 4.15Å; W451-L454 PolarHBondContact O-N 3.45Å; W451-A455 WeakPolarHBondContact O-CB 3.48Å; W451-A455 PolarHBondContact O-N 3.1Å; W451-V462 HydrophobicContact CE3-CG1 4.27Å; W451-V462 HydrophobicContact CE3-CG2 4.42Å; W451-V465 HydrophobicContact CH2-CG1 3.92Å; W451-V465 HydrophobicContact CZ3-CG1 4.33Å; W451-L496 HydrophobicContact CB-CD2 4.4Å; W451-L496 HydrophobicContact CD2-CD2 3.32Å; W451-L496 HydrophobicContact CD2-CG 4.47Å; W451-L496 HydrophobicContact CE3-CD2 3.35Å; W451-L496 HydrophobicContact CG-CD2 3.83Å; W451-L496 HydrophobicContact CH2-CD2 4.13Å; W451-L496 HydrophobicContact CZ2-CD2 4.09Å; W451-L496 HydrophobicContact CZ3-CD2 3.77Å; W451-K499 HydrophobicContact CB-CB 3.97Å; W451-C500 PolarHBondContact O-SG 2.74Å |
| 452 | D | 93.6 | Very high | 93.2 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 40% | 0.396 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -62 | -46.8 | 173.7 | 46.1 | -5.9 | 0 | 0 | 0 | 111.6 | P450 A455 S456 K499 | P450-D452 VanDerWaalsContact C-N 3.29Å; P450-D452 PolarHBondContact O-N 2.89Å; D452-A455 PolarHBondContact O-N 2.61Å; D452-S456 PolarHBondContact O-N 3.27Å; D452-K499 HydrophobicContact CB-CB 4.5Å; D452-K499 IonicContact OD2-NZ 3.53Å |
| 453 | T | 92.6 | Very high | 93.4 | Very high | 63 Ų | 63 | 40.5 Ų | 40.5 | 39% | 0.387 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -62.8 | -49.2 | 173.9 | -55.5 | 0 | 0 | 0 | 0 | 111.2 | E410 P450 A455 S456 S457 | E410-T453 VanDerWaalsContact OE1-CG2 3.31Å; E410-T453 WeakPolarHBondContact OE1-CG2 3.31Å; P450-T453 WeakPolarHBondContact O-CB 3.49Å; P450-T453 PolarHBondContact O-N 3.33Å; P450-T453 VanDerWaalsContact O-N 3.09Å; T453-A455 VanDerWaalsContact C-N 3.29Å; T453-A455 PolarHBondContact O-N 3.06Å; T453-S456 WeakPolarHBondContact O-CB 3.36Å; T453-S456 PolarHBondContact O-N 3.14Å; T453-S456 PolarHBondContact O-OG 3.19Å; T453-S457 PolarHBondContact O-N 3.1Å |
| 454 | L | 93.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.3 | -37 | 178.4 | -67 | 177.5 | 0 | 0 | 0 | 112.8 | E410 L413 L414 L449 P450 W451 S456 S457 S458 V462 | E410-L454 HydrophobicContact CB-CD2 3.67Å; E410-L454 HydrophobicContact CG-CD2 3.96Å; L413-L454 HydrophobicContact CB-CD1 4.38Å; L413-L454 HydrophobicContact CB-CD2 4.21Å; L413-L454 HydrophobicContact CD1-CD2 4.2Å; L414-L454 HydrophobicContact CD2-CD1 4.35Å; L414-L454 HydrophobicContact CG-CD2 4.24Å; L449-L454 HydrophobicContact CB-CD1 4.34Å; P450-L454 HydrophobicContact CG-CG 4.46Å; P450-L454 WeakPolarHBondContact O-CG 3.42Å; P450-L454 PolarHBondContact O-N 2.73Å; W451-L454 HydrophobicContact CE3-CD1 3.97Å; W451-L454 HydrophobicContact CZ3-CD1 4.15Å; W451-L454 PolarHBondContact O-N 3.45Å; L454-S456 VanDerWaalsContact C-N 3.34Å; L454-S457 PolarHBondContact O-OG 3.45Å; L454-S458 CarbonylContact O-C 3.57Å; L454-S458 PolarHBondContact O-N 3.5Å; L454-V462 HydrophobicContact CB-CG2 4.03Å |
| 455 | A | 93.8 | Very high | 93.9 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 11% | 0.107 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.9 | -31.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | W451 D452 T453 S457 R459 V462 C500 | W451-A455 WeakPolarHBondContact O-CB 3.48Å; W451-A455 PolarHBondContact O-N 3.1Å; D452-A455 PolarHBondContact O-N 2.61Å; T453-A455 VanDerWaalsContact C-N 3.29Å; T453-A455 PolarHBondContact O-N 3.06Å; A455-S457 VanDerWaalsContact C-N 3.31Å; A455-R459 WeakPolarHBondContact O-CA 3.43Å; A455-R459 WeakPolarHBondContact O-CB 3.32Å; A455-R459 PolarHBondContact O-N 3.5Å; A455-V462 HydrophobicContact CB-CB 4.47Å; A455-V462 HydrophobicContact CB-CG1 4.31Å; A455-V462 HydrophobicContact CB-CG2 4.27Å; A455-C500 HydrophobicContact CB-CB 3.81Å |
| 456 | S | 93.2 | Very high | 94.2 | Very high | 98 Ų | 98 | 41.8 Ų | 41.8 | 69% | 0.685 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -66.6 | -33.6 | 176.3 | 80.1 | 0 | 0 | 0 | 0 | 112.4 | D452 T453 L454 | D452-S456 PolarHBondContact O-N 3.27Å; T453-S456 WeakPolarHBondContact O-CB 3.36Å; T453-S456 PolarHBondContact O-N 3.14Å; T453-S456 PolarHBondContact O-OG 3.19Å; L454-S456 VanDerWaalsContact C-N 3.34Å |
| 457 | S | 91.5 | Very high | 94.3 | Very high | 62 Ų | 62 | 45.7 Ų | 45.7 | 43% | 0.434 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -94.9 | -37.2 | -179 | 63.4 | 0 | 0 | 0 | 0 | 114.1 | E410 T453 L454 A455 | E410-S457 VanDerWaalsContact CD-OG 3.3Å; E410-S457 WeakPolarHBondContact OE2-CB 3.31Å; E410-S457 PolarHBondContact OE2-OG 2.67Å; T453-S457 PolarHBondContact O-N 3.1Å; L454-S457 PolarHBondContact O-OG 3.45Å; A455-S457 VanDerWaalsContact C-N 3.31Å |
| 458 | S | 93.6 | Very high | 94.4 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -139.2 | 60.1 | -175.1 | -163.4 | 0 | 0 | 0 | 0 | 112.4 | L454 A460 A461 V462 | L454-S458 CarbonylContact O-C 3.57Å; L454-S458 PolarHBondContact O-N 3.5Å; S458-A460 PolarHBondContact O-N 3.44Å; S458-A460 VanDerWaalsContact O-N 3.12Å; S458-A461 PolarHBondContact O-N 2.91Å; S458-A461 VanDerWaalsContact OG-CB 3.31Å; S458-A461 WeakPolarHBondContact OG-CB 3.4Å; S458-V462 PolarHBondContact O-N 2.63Å; S458-V462 VanDerWaalsContact O-N 3.14Å |
| 459 | R | 94.6 | Very high | 94.6 | Very high | 145 Ų | 145 | 42.3 Ų | 42.3 | 55% | 0.547 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -51.7 | -38 | -180 | -169.6 | 167.2 | -177.4 | 128.9 | 4.8 | 113.8 | A455 V462 Q463 | A455-R459 WeakPolarHBondContact O-CA 3.43Å; A455-R459 WeakPolarHBondContact O-CB 3.32Å; A455-R459 PolarHBondContact O-N 3.5Å; R459-V462 PolarHBondContact O-N 3.42Å; R459-Q463 WeakPolarHBondContact O-CB 3.21Å; R459-Q463 PolarHBondContact O-N 2.86Å |
| 460 | A | 95.5 | Very high | 94.7 | Very high | 78 Ų | 78 | 43.3 Ų | 43.3 | 65% | 0.645 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65.1 | -42.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | S458 Q463 V464 | S458-A460 PolarHBondContact O-N 3.44Å; S458-A460 VanDerWaalsContact O-N 3.12Å; A460-Q463 WeakPolarHBondContact O-CB 3.49Å; A460-Q463 PolarHBondContact O-N 3.03Å; A460-V464 WeakPolarHBondContact O-CG2 3.3Å; A460-V464 PolarHBondContact O-N 3.23Å; A460-V464 VanDerWaalsContact O-N 3.13Å |
| 461 | A | 94.6 | Very high | 94.7 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 13% | 0.132 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -45 | 177 | 0 | 0 | 0 | 0 | 0 | 110.8 | L414 S458 Q463 V464 V465 | L414-A461 HydrophobicContact CD1-CB 3.99Å; L414-A461 HydrophobicContact CD2-CB 4.25Å; S458-A461 PolarHBondContact O-N 2.91Å; S458-A461 VanDerWaalsContact OG-CB 3.31Å; S458-A461 WeakPolarHBondContact OG-CB 3.4Å; A461-Q463 VanDerWaalsContact C-N 3.28Å; A461-Q463 PolarHBondContact O-N 3.23Å; A461-V464 WeakPolarHBondContact O-CB 3.4Å; A461-V464 PolarHBondContact O-N 3.09Å; A461-V465 WeakPolarHBondContact O-CG2 3.45Å; A461-V465 PolarHBondContact O-N 3.38Å |
| 462 | V | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 111.9 | L414 W451 L454 A455 S458 R459 V464 V465 F466 L496 C500 L502 | L414-V462 HydrophobicContact CD2-CG2 4.31Å; W451-V462 HydrophobicContact CE3-CG1 4.27Å; W451-V462 HydrophobicContact CE3-CG2 4.42Å; L454-V462 HydrophobicContact CB-CG2 4.03Å; A455-V462 HydrophobicContact CB-CB 4.47Å; A455-V462 HydrophobicContact CB-CG1 4.31Å; A455-V462 HydrophobicContact CB-CG2 4.27Å; S458-V462 PolarHBondContact O-N 2.63Å; S458-V462 VanDerWaalsContact O-N 3.14Å; R459-V462 PolarHBondContact O-N 3.42Å; V462-V464 VanDerWaalsContact C-N 3.33Å; V462-V464 PolarHBondContact O-N 3.23Å; V462-V465 PolarHBondContact O-N 3.02Å; V462-F466 PolarHBondContact O-N 3.5Å; V462-L496 HydrophobicContact CG1-CD2 4.07Å; V462-C500 HydrophobicContact CG1-CB 4.2Å; V462-L502 HydrophobicContact CG1-CD1 4.32Å |
| 463 | Q | 96.9 | Very high | 94.5 | Very high | 65 Ų | 65 | 45.6 Ų | 45.6 | 30% | 0.304 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63 | -38.7 | 174.1 | -174.6 | 67.8 | 63.4 | 0 | 0 | 112.3 | R459 A460 A461 F466 N467 L502 | R459-Q463 WeakPolarHBondContact O-CB 3.21Å; R459-Q463 PolarHBondContact O-N 2.86Å; A460-Q463 WeakPolarHBondContact O-CB 3.49Å; A460-Q463 PolarHBondContact O-N 3.03Å; A461-Q463 VanDerWaalsContact C-N 3.28Å; A461-Q463 PolarHBondContact O-N 3.23Å; Q463-F466 PolarHBondContact O-N 3.07Å; Q463-N467 PolarHBondContact NE2-OD1 3.42Å; Q463-N467 WeakPolarHBondContact O-CB 3.44Å; Q463-N467 PolarHBondContact O-N 2.79Å; Q463-N467 PolarHBondContact O-ND2 3.27Å; Q463-N467 PolarHBondContact O-OD1 3.44Å; Q463-L502 VanDerWaalsContact OE1-CD2 3.27Å |
| 464 | V | 96.5 | Very high | 94.3 | Very high | 76 Ų | 76 | 47.3 Ų | 47.3 | 46% | 0.461 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.4 | 170.7 | 0 | 0 | 0 | 0 | 110.5 | M421 A460 A461 V462 N467 Y468 | M421-V464 HydrophobicContact CE-CG1 4.22Å; A460-V464 WeakPolarHBondContact O-CG2 3.3Å; A460-V464 PolarHBondContact O-N 3.23Å; A460-V464 VanDerWaalsContact O-N 3.13Å; A461-V464 WeakPolarHBondContact O-CB 3.4Å; A461-V464 PolarHBondContact O-N 3.09Å; V462-V464 VanDerWaalsContact C-N 3.33Å; V462-V464 PolarHBondContact O-N 3.23Å; V464-N467 PolarHBondContact O-N 3.46Å; V464-Y468 WeakPolarHBondContact O-CB 3.48Å; V464-Y468 PolarHBondContact O-N 2.96Å |
| 465 | V | 96.7 | Very high | 93.9 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 176.4 | 178.4 | 0 | 0 | 0 | 0 | 111 | V417 M421 W451 A461 V462 N467 Y468 F469 L496 | V417-V465 HydrophobicContact CG1-CB 4.26Å; V417-V465 HydrophobicContact CG1-CG1 3.65Å; V417-V465 HydrophobicContact CG1-CG2 3.52Å; M421-V465 HydrophobicContact SD-CB 4.29Å; M421-V465 HydrophobicContact SD-CG1 4.33Å; M421-V465 HydrophobicContact SD-CG2 3.91Å; W451-V465 HydrophobicContact CH2-CG1 3.92Å; W451-V465 HydrophobicContact CZ3-CG1 4.33Å; A461-V465 WeakPolarHBondContact O-CG2 3.45Å; A461-V465 PolarHBondContact O-N 3.38Å; V462-V465 PolarHBondContact O-N 3.02Å; V465-N467 PolarHBondContact O-N 2.87Å; V465-Y468 WeakPolarHBondContact O-CB 3.37Å; V465-Y468 PolarHBondContact O-N 3.11Å; V465-F469 HydrophobicContact CG1-CD2 3.84Å; V465-F469 HydrophobicContact CG1-CE2 3.67Å; V465-F469 VanDerWaalsContact O-CD2 3.26Å; V465-F469 WeakPolarHBondContact O-CD2 3.49Å; V465-F469 PolarHBondContact O-N 3.36Å; V465-F469 VanDerWaalsContact O-N 3.14Å; V465-L496 HydrophobicContact CG1-CD1 4.19Å |
| 466 | F | 97.1 | Very high | 93.4 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.022 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.5 | -49 | 177 | 177.7 | -100 | 0 | 0 | 0 | 111.7 | V462 Q463 Y468 F469 Y470 I493 L496 L502 I504 | V462-F466 PolarHBondContact O-N 3.5Å; Q463-F466 PolarHBondContact O-N 3.07Å; F466-Y468 PolarHBondContact O-N 3.47Å; F466-F469 PolarHBondContact O-N 3.4Å; F466-Y470 AromaticContact CE1-CD2 3.73Å; F466-Y470 HydrophobicContact CE1-CD2 3.73Å; F466-Y470 HydrophobicContact CE1-CE2 4.25Å; F466-Y470 HydrophobicContact CE1-CG 4.44Å; F466-Y470 HydrophobicContact CE2-CD2 4.49Å; F466-Y470 AromaticContact CZ-CD2 3.7Å; F466-Y470 HydrophobicContact CZ-CD2 3.7Å; F466-Y470 HydrophobicContact CZ-CE2 4.15Å; F466-Y470 WeakPolarHBondContact O-CB 3.24Å; F466-Y470 PolarHBondContact O-N 3.07Å; F466-I493 HydrophobicContact CE2-CG2 4.07Å; F466-L496 HydrophobicContact CB-CD1 4.17Å; F466-L496 HydrophobicContact CD2-CB 3.81Å; F466-L496 HydrophobicContact CD2-CD1 4.23Å; F466-L502 HydrophobicContact CB-CD1 3.4Å; F466-L502 VanDerWaalsContact CB-CD1 3.4Å; F466-L502 HydrophobicContact CD1-CB 4.27Å; F466-L502 HydrophobicContact CD1-CD1 4.11Å; F466-L502 HydrophobicContact CD2-CB 4.14Å; F466-L502 HydrophobicContact CD2-CD1 3.77Å; F466-L502 HydrophobicContact CE1-CB 4.23Å; F466-L502 HydrophobicContact CE2-CB 4.09Å; F466-L502 HydrophobicContact CG-CB 4.21Å; F466-L502 HydrophobicContact CG-CD1 3.49Å; F466-L502 VanDerWaalsContact CG-CD1 3.49Å; F466-L502 HydrophobicContact CG-CG 4.48Å; F466-L502 HydrophobicContact CZ-CB 4.12Å; F466-I504 HydrophobicContact CE2-CG1 4.29Å; F466-I504 HydrophobicContact CZ-CG1 3.88Å |
| 467 | N | 96.2 | Very high | 92.4 | Very high | 82 Ų | 82 | 50.2 Ų | 50.2 | 44% | 0.439 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -34.8 | 179.5 | -70.6 | -12.6 | 0 | 0 | 0 | 112.4 | Q463 V464 V465 K471 | Q463-N467 PolarHBondContact NE2-OD1 3.42Å; Q463-N467 WeakPolarHBondContact O-CB 3.44Å; Q463-N467 PolarHBondContact O-N 2.79Å; Q463-N467 PolarHBondContact O-ND2 3.27Å; Q463-N467 PolarHBondContact O-OD1 3.44Å; V464-N467 PolarHBondContact O-N 3.46Å; V465-N467 PolarHBondContact O-N 2.87Å; N467-K471 VanDerWaalsContact O-CB 3.29Å; N467-K471 WeakPolarHBondContact O-CB 3.4Å; N467-K471 PolarHBondContact O-N 3.2Å |
| 468 | Y | 95.7 | Very high | 90.9 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 9% | 0.09 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.3 | -57.3 | 174.9 | 171.9 | -94.9 | 0 | 0 | 0 | 111.5 | M421 Y424 E425 V464 V465 F466 Y470 K471 L472 | M421-Y468 HydrophobicContact CB-CD1 4.4Å; M421-Y468 HydrophobicContact CB-CD2 4.48Å; M421-Y468 HydrophobicContact CB-CE1 4.31Å; M421-Y468 HydrophobicContact CB-CE2 4.43Å; M421-Y468 HydrophobicContact CB-CG 4.48Å; M421-Y468 VanDerWaalsContact CE-CB 3.44Å; M421-Y468 HydrophobicContact CE-CD1 4.19Å; M421-Y468 HydrophobicContact CE-CD2 3.94Å; M421-Y468 HydrophobicContact CE-CG 3.58Å; M421-Y468 HydrophobicContact CG-CD1 3.65Å; M421-Y468 HydrophobicContact CG-CD2 4.47Å; M421-Y468 HydrophobicContact CG-CE1 3.86Å; M421-Y468 HydrophobicContact CG-CG 3.99Å; M421-Y468 HydrophobicContact SD-CD1 4.26Å; M421-Y468 HydrophobicContact SD-CG 4.24Å; Y424-Y468 WeakPolarHBondContact CB-OH 3.47Å; E425-Y468 HydrophobicContact CG-CD2 4.29Å; E425-Y468 HydrophobicContact CG-CE2 3.54Å; V464-Y468 WeakPolarHBondContact O-CB 3.48Å; V464-Y468 PolarHBondContact O-N 2.96Å; V465-Y468 WeakPolarHBondContact O-CB 3.37Å; V465-Y468 PolarHBondContact O-N 3.11Å; F466-Y468 PolarHBondContact O-N 3.47Å; Y468-Y470 VanDerWaalsContact C-N 3.27Å; Y468-Y470 PolarHBondContact O-N 3.29Å; Y468-K471 PolarHBondContact O-N 3.13Å; Y468-K471 VanDerWaalsContact O-N 3.17Å; Y468-L472 HydrophobicContact CE1-CD2 3.88Å; Y468-L472 WeakPolarHBondContact O-CB 3.21Å; Y468-L472 PolarHBondContact O-N 3.41Å |
| 469 | F | 95.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.2 | -36.6 | 179.7 | -74.4 | -68.6 | 0 | 0 | 0 | 112.4 | F439 Y442 L446 V465 F466 L472 Y473 L489 I492 I493 L496 | F439-F469 HydrophobicContact CE2-CE1 4.11Å; F439-F469 HydrophobicContact CZ-CD1 4.4Å; F439-F469 AromaticContact CZ-CE1 3.95Å; F439-F469 HydrophobicContact CZ-CE1 3.95Å; Y442-F469 HydrophobicContact CE1-CE1 4.46Å; Y442-F469 AromaticContact CE1-CZ 3.82Å; Y442-F469 HydrophobicContact CE1-CZ 3.82Å; L446-F469 HydrophobicContact CD1-CE1 4.25Å; L446-F469 HydrophobicContact CD1-CE2 3.63Å; L446-F469 HydrophobicContact CD1-CZ 3.26Å; V465-F469 HydrophobicContact CG1-CD2 3.84Å; V465-F469 HydrophobicContact CG1-CE2 3.67Å; V465-F469 VanDerWaalsContact O-CD2 3.26Å; V465-F469 WeakPolarHBondContact O-CD2 3.49Å; V465-F469 PolarHBondContact O-N 3.36Å; V465-F469 VanDerWaalsContact O-N 3.14Å; F466-F469 PolarHBondContact O-N 3.4Å; F469-L472 HydrophobicContact CD1-CD2 4.43Å; F469-L472 PolarHBondContact O-N 3.34Å; F469-Y473 VanDerWaalsContact O-CB 3.3Å; F469-Y473 WeakPolarHBondContact O-CB 3.28Å; F469-Y473 PolarHBondContact O-N 3.43Å; F469-L489 HydrophobicContact CD1-CD2 3.78Å; F469-I492 HydrophobicContact CB-CG2 4.35Å; F469-I492 HydrophobicContact CD1-CG2 4.24Å; F469-I492 HydrophobicContact CD2-CG2 3.66Å; F469-I492 HydrophobicContact CE2-CG2 3.98Å; F469-I492 HydrophobicContact CG-CG2 3.81Å; F469-I492 HydrophobicContact CZ-CG2 4.41Å; F469-I493 HydrophobicContact CB-CG1 4.04Å; F469-L496 HydrophobicContact CD2-CD1 4.46Å |
| 470 | Y | 94 | Very high | 88.6 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 174.4 | -166.7 | -85.5 | 0 | 0 | 0 | 112.1 | F466 Y468 K474 I504 D505 L508 | F466-Y470 AromaticContact CE1-CD2 3.73Å; F466-Y470 HydrophobicContact CE1-CD2 3.73Å; F466-Y470 HydrophobicContact CE1-CE2 4.25Å; F466-Y470 HydrophobicContact CE1-CG 4.44Å; F466-Y470 HydrophobicContact CE2-CD2 4.49Å; F466-Y470 AromaticContact CZ-CD2 3.7Å; F466-Y470 HydrophobicContact CZ-CD2 3.7Å; F466-Y470 HydrophobicContact CZ-CE2 4.15Å; F466-Y470 WeakPolarHBondContact O-CB 3.24Å; F466-Y470 PolarHBondContact O-N 3.07Å; Y468-Y470 VanDerWaalsContact C-N 3.27Å; Y468-Y470 PolarHBondContact O-N 3.29Å; Y470-K474 HydrophobicContact CD1-CD 4.04Å; Y470-K474 HydrophobicContact CD1-CG 4.46Å; Y470-K474 HydrophobicContact CE1-CD 3.73Å; Y470-K474 HydrophobicContact CE1-CG 4.42Å; Y470-K474 WeakPolarHBondContact O-CG 3.4Å; Y470-K474 PolarHBondContact O-N 3.49Å; Y470-I504 HydrophobicContact CE2-CG2 4.42Å; Y470-D505 WeakPolarHBondContact OH-CB 3.46Å; Y470-D505 PolarHBondContact OH-N 3.24Å; Y470-D505 PolarHBondContact OH-OD1 3.23Å; Y470-D505 PolarHBondContact OH-OD2 3.45Å; Y470-L508 HydrophobicContact CD1-CD2 4.41Å; Y470-L508 HydrophobicContact CD2-CD2 3.33Å; Y470-L508 HydrophobicContact CE1-CD2 4.24Å; Y470-L508 HydrophobicContact CE2-CB 4.24Å; Y470-L508 HydrophobicContact CE2-CD2 3.08Å; Y470-L508 HydrophobicContact CE2-CG 4.22Å; Y470-L508 HydrophobicContact CG-CD2 3.99Å |
| 471 | K | 92.5 | Very high | 87.8 | Confident | 142 Ų | 142 | 47.5 Ų | 47.5 | 62% | 0.617 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -69.1 | -41.9 | 177.2 | -177.3 | -176.7 | 175.3 | -169.7 | 0 | 111.5 | N467 Y468 Y473 K474 N475 | N467-K471 VanDerWaalsContact O-CB 3.29Å; N467-K471 WeakPolarHBondContact O-CB 3.4Å; N467-K471 PolarHBondContact O-N 3.2Å; Y468-K471 PolarHBondContact O-N 3.13Å; Y468-K471 VanDerWaalsContact O-N 3.17Å; K471-Y473 VanDerWaalsContact C-N 3.32Å; K471-Y473 PolarHBondContact O-N 2.85Å; K471-K474 PolarHBondContact O-N 2.9Å; K471-N475 VanDerWaalsContact O-CG 3.31Å; K471-N475 PolarHBondContact O-N 2.69Å; K471-N475 VanDerWaalsContact O-N 3.13Å; K471-N475 PolarHBondContact O-ND2 2.95Å |
| 472 | L | 91.8 | Very high | 87.3 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.089 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 177.6 | -171.6 | 60.4 | 0 | 0 | 0 | 110.4 | I429 W430 F439 Y468 F469 N475 A476 L489 | I429-L472 HydrophobicContact CD1-CD1 3.66Å; I429-L472 HydrophobicContact CD1-CD2 3.88Å; I429-L472 HydrophobicContact CD1-CG 3.92Å; I429-L472 HydrophobicContact CG1-CD1 4.27Å; W430-L472 HydrophobicContact CZ2-CD1 4.06Å; W430-L472 HydrophobicContact CZ2-CG 4.39Å; W430-L472 WeakPolarHBondContact CZ2-O 3.3Å; F439-L472 HydrophobicContact CE2-CD2 3.87Å; F439-L472 HydrophobicContact CZ-CD2 3.94Å; Y468-L472 HydrophobicContact CE1-CD2 3.88Å; Y468-L472 WeakPolarHBondContact O-CB 3.21Å; Y468-L472 PolarHBondContact O-N 3.41Å; F469-L472 HydrophobicContact CD1-CD2 4.43Å; F469-L472 PolarHBondContact O-N 3.34Å; L472-N475 PolarHBondContact O-N 2.92Å; L472-A476 PolarHBondContact O-N 3.28Å; L472-L489 HydrophobicContact CB-CD2 4.43Å; L472-L489 HydrophobicContact CD2-CD2 3.83Å; L472-L489 HydrophobicContact CG-CD2 4.16Å |
| 473 | Y | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 177.1 | -174 | -121.5 | 0 | 0 | 0 | 113 | F469 K471 N475 A476 L489 I490 I493 L508 H511 I512 D515 | F469-Y473 VanDerWaalsContact O-CB 3.3Å; F469-Y473 WeakPolarHBondContact O-CB 3.28Å; F469-Y473 PolarHBondContact O-N 3.43Å; K471-Y473 VanDerWaalsContact C-N 3.32Å; K471-Y473 PolarHBondContact O-N 2.85Å; Y473-N475 PolarHBondContact O-N 3.35Å; Y473-A476 HydrophobicContact CD2-CB 4.44Å; Y473-A476 WeakPolarHBondContact O-CB 3.42Å; Y473-A476 PolarHBondContact O-N 2.84Å; Y473-L489 HydrophobicContact CD2-CB 3.93Å; Y473-L489 HydrophobicContact CD2-CD1 3.92Å; Y473-L489 HydrophobicContact CG-CB 4.41Å; Y473-I490 HydrophobicContact CE1-CG1 4.43Å; Y473-I490 HydrophobicContact CE2-CD1 4.29Å; Y473-I490 HydrophobicContact CE2-CG1 3.95Å; Y473-I493 HydrophobicContact CD1-CD1 3.81Å; Y473-I493 HydrophobicContact CG-CD1 3.85Å; Y473-L508 HydrophobicContact CD1-CD1 3.52Å; Y473-L508 HydrophobicContact CD1-CD2 4.26Å; Y473-L508 HydrophobicContact CD1-CG 4.13Å; Y473-L508 HydrophobicContact CE1-CD1 3.78Å; Y473-L508 HydrophobicContact CE1-CG 4.29Å; Y473-H511 HydrophobicContact CE1-CB 4.32Å; Y473-H511 AromaticContact CE1-CD2 3.42Å; Y473-H511 VanDerWaalsContact CE1-CD2 3.42Å; Y473-H511 WeakPolarHBondContact CE1-CD2 3.29Å; Y473-H511 AromaticContact CZ-CD2 3.46Å; Y473-H511 VanDerWaalsContact CZ-CD2 3.46Å; Y473-H511 AromaticContact CZ-NE2 3.86Å; Y473-H511 PolarHBondContact OH-O 3.35Å; Y473-I512 HydrophobicContact CE1-CG1 3.66Å; Y473-D515 VanDerWaalsContact CE2-OD2 3.28Å; Y473-D515 WeakPolarHBondContact CE2-OD2 3.39Å; Y473-D515 VanDerWaalsContact OH-CB 3.32Å; Y473-D515 WeakPolarHBondContact OH-CB 3.36Å; Y473-D515 PolarHBondContact OH-OD2 3.17Å |
| 474 | K | 88.3 | Confident | 86.2 | Confident | 99 Ų | 99 | 49.2 Ų | 49.2 | 43% | 0.43 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60.7 | -25.5 | 172.6 | -82.9 | -170.7 | 170.4 | -174.5 | 0 | 114 | Y470 K471 D505 L508 | Y470-K474 HydrophobicContact CD1-CD 4.04Å; Y470-K474 HydrophobicContact CD1-CG 4.46Å; Y470-K474 HydrophobicContact CE1-CD 3.73Å; Y470-K474 HydrophobicContact CE1-CG 4.42Å; Y470-K474 WeakPolarHBondContact O-CG 3.4Å; Y470-K474 PolarHBondContact O-N 3.49Å; K471-K474 PolarHBondContact O-N 2.9Å; K474-D505 IonicContact NZ-OD2 3.05Å; K474-D505 PolarHBondContact NZ-OD2 2.81Å; K474-L508 HydrophobicContact CG-CD1 3.82Å |
| 475 | N | 85.9 | Confident | 85.8 | Confident | 102 Ų | 102 | 45.6 Ų | 45.6 | 55% | 0.545 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -5.2 | 178 | -67.1 | -19.8 | 0 | 0 | 0 | 113 | K471 L472 Y473 | K471-N475 VanDerWaalsContact O-CG 3.31Å; K471-N475 PolarHBondContact O-N 2.69Å; K471-N475 VanDerWaalsContact O-N 3.13Å; K471-N475 PolarHBondContact O-ND2 2.95Å; L472-N475 PolarHBondContact O-N 2.92Å; Y473-N475 PolarHBondContact O-N 3.35Å |
| 476 | A | 83.6 | Confident | 85.5 | Confident | 11 Ų | 11 | 45.6 Ų | 45.6 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | trans | -64.4 | 139.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | W430 L472 Y473 T481 | W430-A476 HydrophobicContact CH2-CB 3.65Å; W430-A476 HydrophobicContact CZ2-CB 4.16Å; W430-A476 HydrophobicContact CZ3-CB 4.25Å; L472-A476 PolarHBondContact O-N 3.28Å; Y473-A476 HydrophobicContact CD2-CB 4.44Å; Y473-A476 WeakPolarHBondContact O-CB 3.42Å; Y473-A476 PolarHBondContact O-N 2.84Å; A476-T481 HydrophobicContact CB-CG2 4.41Å | ||
| 477 | A | 71.6 | Confident | 85.1 | Confident | 59 Ų | 59 | 45.4 Ų | 45.4 | 49% | 0.488 | 25% | 0.25 | S | C | . | . | trans | -124.6 | 109.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | A480 T481 | A477-A480 WeakPolarHBondContact O-CA 3.45Å; A477-A480 WeakPolarHBondContact O-CB 3.48Å; A477-A480 PolarHBondContact O-N 3.3Å; A477-T481 PolarHBondContact N-OG1 3.38Å; A477-T481 PolarHBondContact O-N 2.92Å; A477-T481 VanDerWaalsContact O-N 3.1Å; A477-T481 PolarHBondContact O-OG1 3.02Å | ||
| 478 | H | 61.1 | Low | 84.9 | Confident | 63 Ų | 63 | 41.5 Ų | 41.5 | 29% | 0.292 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | 142.6 | 169.7 | -81.9 | -60.8 | 0 | 0 | 0 | 111.5 | D515 | H478-D515 IonicContact CD2-OD1 3.02Å; H478-D515 PolarHBondContact CD2-OD1 3.33Å; H478-D515 IonicContact CD2-OD2 3.37Å; H478-D515 IonicContact CE1-OD2 2.85Å; H478-D515 IonicContact NE2-OD1 3.85Å; H478-D515 PolarHBondContact NE2-OD1 3.18Å; H478-D515 IonicContact NE2-OD2 3.41Å; H478-D515 PolarHBondContact NE2-OD2 3.04Å |
| 479 | P | 67.1 | Low | 84.9 | Confident | 116 Ų | 116 | 40.4 Ų | 40.4 | 75% | 0.753 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.7 | 13.9 | 4.4 | 37.5 | -36.5 | 0 | 0 | 0 | 114.4 | ||
| 480 | A | 72.6 | Confident | 84.8 | Confident | 84 Ų | 84 | 40.5 Ų | 40.5 | 69% | 0.694 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | -25 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | A477 P482 | A477-A480 WeakPolarHBondContact O-CA 3.45Å; A477-A480 WeakPolarHBondContact O-CB 3.48Å; A477-A480 PolarHBondContact O-N 3.3Å; A480-P482 WeakPolarHBondContact O-CD 3.44Å |
| 481 | T | 79.3 | Confident | 84.8 | Confident | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.037 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -72.6 | 125.7 | 178 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | W430 A476 A477 Y483 V485 S486 | W430-T481 HydrophobicContact CE3-CG2 4.17Å; W430-T481 HydrophobicContact CH2-CG2 4.36Å; W430-T481 HydrophobicContact CZ3-CG2 3.51Å; A476-T481 HydrophobicContact CB-CG2 4.41Å; A477-T481 PolarHBondContact N-OG1 3.38Å; A477-T481 PolarHBondContact O-N 2.92Å; A477-T481 VanDerWaalsContact O-N 3.1Å; A477-T481 PolarHBondContact O-OG1 3.02Å; T481-Y483 PolarHBondContact O-N 3.29Å; T481-V485 HydrophobicContact CG2-CB 4.44Å; T481-S486 WeakPolarHBondContact CG2-OG 3.13Å |
| 482 | P | 83.6 | Confident | 85 | Confident | 27 Ų | 27 | 32.3 Ų | 32.3 | 18% | 0.175 | 19% | 0.19 | C | C | . | . | trans | -60.4 | 137.2 | 173.5 | -19.8 | 30 | 0 | 0 | 0 | 112.1 | Q436 A480 H484 V485 S486 | Q436-P482 HydrophobicContact CG-CG 4.45Å; A480-P482 WeakPolarHBondContact O-CD 3.44Å; P482-H484 VanDerWaalsContact C-N 3.27Å; P482-H484 WeakPolarHBondContact CB-CE1 3.33Å; P482-H484 PolarHBondContact O-N 3.25Å; P482-V485 HydrophobicContact CB-CG2 4.15Å; P482-V485 HydrophobicContact CG-CG2 4.25Å; P482-V485 PolarHBondContact O-N 3Å; P482-V485 VanDerWaalsContact O-N 3.09Å; P482-S486 PolarHBondContact O-N 3.28Å; P482-S486 VanDerWaalsContact O-N 3.14Å | ||
| 483 | Y | 85.4 | Confident | 85.3 | Confident | 68 Ų | 68 | 31.5 Ų | 31.5 | 27% | 0.267 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -59.2 | -34.9 | -175 | -62.5 | -55.1 | 0 | 0 | 0 | 114 | T481 S486 A487 V518 V519 F522 | T481-Y483 PolarHBondContact O-N 3.29Å; Y483-S486 PolarHBondContact O-N 2.94Å; Y483-A487 WeakPolarHBondContact O-CB 3.3Å; Y483-A487 PolarHBondContact O-N 2.98Å; Y483-V518 HydrophobicContact CD1-CG1 4.09Å; Y483-V518 HydrophobicContact CE1-CG1 3.33Å; Y483-V519 HydrophobicContact CD1-CG2 4.16Å; Y483-F522 HydrophobicContact CD1-CB 4.48Å; Y483-F522 HydrophobicContact CD2-CB 3.71Å; Y483-F522 AromaticContact CD2-CD1 3.67Å; Y483-F522 HydrophobicContact CD2-CD1 3.67Å; Y483-F522 AromaticContact CD2-CD2 3.21Å; Y483-F522 HydrophobicContact CD2-CD2 3.21Å; Y483-F522 HydrophobicContact CD2-CE1 4.07Å; Y483-F522 AromaticContact CD2-CE2 3.65Å; Y483-F522 HydrophobicContact CD2-CE2 3.65Å; Y483-F522 AromaticContact CD2-CG 3.21Å; Y483-F522 HydrophobicContact CD2-CG 3.21Å; Y483-F522 HydrophobicContact CD2-CZ 4.06Å; Y483-F522 HydrophobicContact CE2-CB 3.81Å; Y483-F522 HydrophobicContact CE2-CD1 4.49Å; Y483-F522 AromaticContact CE2-CD2 3.31Å; Y483-F522 HydrophobicContact CE2-CD2 3.31Å; Y483-F522 AromaticContact CE2-CE2 3.99Å; Y483-F522 HydrophobicContact CE2-CE2 3.99Å; Y483-F522 AromaticContact CE2-CG 3.62Å; Y483-F522 HydrophobicContact CE2-CG 3.62Å; Y483-F522 HydrophobicContact CG-CB 4.04Å; Y483-F522 AromaticContact CG-CD1 3.99Å; Y483-F522 HydrophobicContact CG-CD1 3.99Å; Y483-F522 HydrophobicContact CG-CD2 4.25Å; Y483-F522 AromaticContact CG-CG 3.82Å; Y483-F522 HydrophobicContact CG-CG 3.82Å |
| 484 | H | 83.6 | Confident | 85.5 | Confident | 23 Ų | 23 | 31.5 Ų | 31.5 | 11% | 0.106 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | 177.5 | 59.2 | -99.1 | 0 | 0 | 0 | 112.2 | N440 P482 A487 G488 Y537 T541 | N440-H484 WeakPolarHBondContact ND2-CB 3.3Å; N440-H484 PolarHBondContact ND2-CD2 3.23Å; N440-H484 PolarHBondContact OD1-CD2 3.42Å; P482-H484 VanDerWaalsContact C-N 3.27Å; P482-H484 WeakPolarHBondContact CB-CE1 3.33Å; P482-H484 PolarHBondContact O-N 3.25Å; H484-A487 PolarHBondContact O-N 3.4Å; H484-G488 PolarHBondContact O-N 2.83Å; H484-Y537 AromaticContact ND1-CD1 3.87Å; H484-T541 WeakPolarHBondContact CA-OG1 3.43Å; H484-T541 VanDerWaalsContact CB-OG1 3.3Å; H484-T541 WeakPolarHBondContact CB-OG1 3.43Å |
| 485 | V | 88.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.2 | -46.5 | 176.1 | 177.7 | 0 | 0 | 0 | 0 | 110.6 | I429 W430 Q436 F439 T481 P482 A487 G488 L489 | I429-V485 HydrophobicContact CD1-CG1 4.36Å; W430-V485 HydrophobicContact CH2-CG1 4.5Å; W430-V485 HydrophobicContact CZ3-CG1 3.89Å; Q436-V485 HydrophobicContact CB-CG2 4.31Å; Q436-V485 HydrophobicContact CG-CG2 4.2Å; F439-V485 HydrophobicContact CD1-CG1 3.89Å; F439-V485 HydrophobicContact CE1-CG1 3.95Å; T481-V485 HydrophobicContact CG2-CB 4.44Å; P482-V485 HydrophobicContact CB-CG2 4.15Å; P482-V485 HydrophobicContact CG-CG2 4.25Å; P482-V485 PolarHBondContact O-N 3Å; P482-V485 VanDerWaalsContact O-N 3.09Å; V485-A487 VanDerWaalsContact C-N 3.33Å; V485-A487 PolarHBondContact O-N 3.2Å; V485-G488 PolarHBondContact O-N 3.35Å; V485-L489 HydrophobicContact CG1-CD1 4.11Å; V485-L489 WeakPolarHBondContact O-CG 3.43Å; V485-L489 PolarHBondContact O-N 3.28Å |
| 486 | S | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 175.1 | -76.6 | 0 | 0 | 0 | 0 | 111.7 | T481 P482 Y483 G488 L489 I490 | T481-S486 WeakPolarHBondContact CG2-OG 3.13Å; P482-S486 PolarHBondContact O-N 3.28Å; P482-S486 VanDerWaalsContact O-N 3.14Å; Y483-S486 PolarHBondContact O-N 2.94Å; S486-G488 PolarHBondContact O-N 3.33Å; S486-L489 PolarHBondContact O-N 2.74Å; S486-I490 WeakPolarHBondContact O-CD1 3.27Å; S486-I490 VanDerWaalsContact O-CG1 3.23Å; S486-I490 WeakPolarHBondContact O-CG1 3.39Å; S486-I490 PolarHBondContact O-N 2.96Å |
| 487 | A | 90.3 | Very high | 86.9 | Confident | 2 Ų | 2 | 22.2 Ų | 22.2 | 2% | 0.017 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y483 H484 V485 I490 A491 V519 T541 F544 | Y483-A487 WeakPolarHBondContact O-CB 3.3Å; Y483-A487 PolarHBondContact O-N 2.98Å; H484-A487 PolarHBondContact O-N 3.4Å; V485-A487 VanDerWaalsContact C-N 3.33Å; V485-A487 PolarHBondContact O-N 3.2Å; A487-I490 PolarHBondContact O-N 2.93Å; A487-A491 WeakPolarHBondContact O-CB 3.44Å; A487-A491 PolarHBondContact O-N 3.08Å; A487-V519 HydrophobicContact CB-CG1 4.26Å; A487-T541 HydrophobicContact CB-CG2 3.9Å; A487-F544 HydrophobicContact CB-CB 3.74Å |
| 488 | G | 92 | Very high | 88 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.8 | -48.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H484 V485 S486 I490 A491 I492 | H484-G488 PolarHBondContact O-N 2.83Å; V485-G488 PolarHBondContact O-N 3.35Å; S486-G488 PolarHBondContact O-N 3.33Å; G488-I490 PolarHBondContact O-N 3.45Å; G488-A491 PolarHBondContact O-N 3.36Å; G488-I492 WeakPolarHBondContact O-CG1 3.42Å; G488-I492 PolarHBondContact O-N 2.95Å |
| 489 | L | 94.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 176.8 | -75.6 | 171.1 | 0 | 0 | 0 | 112.2 | W430 F439 F469 L472 Y473 V485 S486 I492 I493 | W430-L489 HydrophobicContact CH2-CD1 4.01Å; F439-L489 HydrophobicContact CE1-CD2 3.95Å; F439-L489 HydrophobicContact CE1-CG 3.89Å; F439-L489 HydrophobicContact CZ-CD2 3.52Å; F439-L489 HydrophobicContact CZ-CG 4.01Å; F469-L489 HydrophobicContact CD1-CD2 3.78Å; L472-L489 HydrophobicContact CB-CD2 4.43Å; L472-L489 HydrophobicContact CD2-CD2 3.83Å; L472-L489 HydrophobicContact CG-CD2 4.16Å; Y473-L489 HydrophobicContact CD2-CB 3.93Å; Y473-L489 HydrophobicContact CD2-CD1 3.92Å; Y473-L489 HydrophobicContact CG-CB 4.41Å; V485-L489 HydrophobicContact CG1-CD1 4.11Å; V485-L489 WeakPolarHBondContact O-CG 3.43Å; V485-L489 PolarHBondContact O-N 3.28Å; S486-L489 PolarHBondContact O-N 2.74Å; L489-I492 PolarHBondContact O-N 3Å; L489-I493 WeakPolarHBondContact O-CB 3.24Å; L489-I493 VanDerWaalsContact O-CG1 3.3Å; L489-I493 WeakPolarHBondContact O-CG1 3.41Å; L489-I493 PolarHBondContact O-N 3.48Å |
| 490 | I | 94.1 | Very high | 90.9 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 179.4 | -69 | 165.7 | 0 | 0 | 0 | 110.4 | Y473 S486 A487 G488 I492 I493 L494 I512 D515 I516 A548 | Y473-I490 HydrophobicContact CE1-CG1 4.43Å; Y473-I490 HydrophobicContact CE2-CD1 4.29Å; Y473-I490 HydrophobicContact CE2-CG1 3.95Å; S486-I490 WeakPolarHBondContact O-CD1 3.27Å; S486-I490 VanDerWaalsContact O-CG1 3.23Å; S486-I490 WeakPolarHBondContact O-CG1 3.39Å; S486-I490 PolarHBondContact O-N 2.96Å; A487-I490 PolarHBondContact O-N 2.93Å; G488-I490 PolarHBondContact O-N 3.45Å; I490-I492 VanDerWaalsContact C-N 3.29Å; I490-I492 PolarHBondContact O-N 3.35Å; I490-I493 PolarHBondContact O-N 2.95Å; I490-L494 HydrophobicContact CG2-CD1 3.67Å; I490-L494 HydrophobicContact CG2-CG 4.23Å; I490-L494 WeakPolarHBondContact O-CB 3.42Å; I490-L494 VanDerWaalsContact O-CG 3.27Å; I490-L494 WeakPolarHBondContact O-CG 3.47Å; I490-L494 PolarHBondContact O-N 3.48Å; I490-I512 HydrophobicContact CG2-CG2 3.84Å; I490-D515 HydrophobicContact CD1-CB 3.6Å; I490-I516 HydrophobicContact CD1-CG1 4.25Å; I490-I516 HydrophobicContact CG2-CD1 4.23Å; I490-I516 HydrophobicContact CG2-CG1 4.23Å; I490-A548 HydrophobicContact CG2-CB 3.91Å |
| 491 | A | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -59 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L447 A487 G488 T495 F544 A548 | L447-A491 HydrophobicContact CD1-CB 3.86Å; L447-A491 HydrophobicContact CD2-CB 4.09Å; A487-A491 WeakPolarHBondContact O-CB 3.44Å; A487-A491 PolarHBondContact O-N 3.08Å; G488-A491 PolarHBondContact O-N 3.36Å; A491-T495 VanDerWaalsContact O-CB 3.24Å; A491-T495 WeakPolarHBondContact O-CB 3.33Å; A491-T495 PolarHBondContact O-N 3.35Å; A491-T495 PolarHBondContact O-OG1 3.35Å; A491-F544 HydrophobicContact CB-CB 4.35Å; A491-F544 HydrophobicContact CB-CD1 4.2Å; A491-A548 HydrophobicContact CB-CB 4.36Å |
| 492 | I | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -68 | -50.9 | 177.9 | -67.7 | -67.7 | 0 | 0 | 0 | 111.9 | C443 L446 L447 F469 G488 L489 I490 L494 T495 L496 | C443-I492 HydrophobicContact CB-CG1 4.17Å; C443-I492 WeakPolarHBondContact O-CD1 3.49Å; L446-I492 HydrophobicContact CB-CD1 3.36Å; L446-I492 HydrophobicContact CD1-CD1 4.1Å; L446-I492 HydrophobicContact CG-CD1 4.41Å; L447-I492 HydrophobicContact CD2-CD1 3.69Å; L447-I492 HydrophobicContact CD2-CG1 4.37Å; L447-I492 HydrophobicContact CG-CD1 3.63Å; L447-I492 HydrophobicContact CG-CG1 4.43Å; F469-I492 HydrophobicContact CB-CG2 4.35Å; F469-I492 HydrophobicContact CD1-CG2 4.24Å; F469-I492 HydrophobicContact CD2-CG2 3.66Å; F469-I492 HydrophobicContact CE2-CG2 3.98Å; F469-I492 HydrophobicContact CG-CG2 3.81Å; F469-I492 HydrophobicContact CZ-CG2 4.41Å; G488-I492 WeakPolarHBondContact O-CG1 3.42Å; G488-I492 PolarHBondContact O-N 2.95Å; L489-I492 PolarHBondContact O-N 3Å; I490-I492 VanDerWaalsContact C-N 3.29Å; I490-I492 PolarHBondContact O-N 3.35Å; I492-L494 VanDerWaalsContact C-N 3.29Å; I492-L494 PolarHBondContact O-N 3.18Å; I492-T495 PolarHBondContact O-N 3.48Å; I492-T495 VanDerWaalsContact O-N 3.14Å; I492-L496 HydrophobicContact CG2-CD1 3.83Å; I492-L496 HydrophobicContact CG2-CG 4.42Å; I492-L496 WeakPolarHBondContact O-CG 3.5Å; I492-L496 PolarHBondContact O-N 2.91Å |
| 493 | I | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -57.8 | -45.9 | -179.3 | -70.9 | 168 | 0 | 0 | 0 | 110.2 | F466 F469 Y473 L489 I490 L496 S497 I504 L508 I512 | F466-I493 HydrophobicContact CE2-CG2 4.07Å; F469-I493 HydrophobicContact CB-CG1 4.04Å; Y473-I493 HydrophobicContact CD1-CD1 3.81Å; Y473-I493 HydrophobicContact CG-CD1 3.85Å; L489-I493 WeakPolarHBondContact O-CB 3.24Å; L489-I493 VanDerWaalsContact O-CG1 3.3Å; L489-I493 WeakPolarHBondContact O-CG1 3.41Å; L489-I493 PolarHBondContact O-N 3.48Å; I490-I493 PolarHBondContact O-N 2.95Å; I493-L496 PolarHBondContact O-N 3.11Å; I493-S497 VanDerWaalsContact O-CB 3.3Å; I493-S497 WeakPolarHBondContact O-CB 3.37Å; I493-S497 PolarHBondContact O-N 3.2Å; I493-I504 HydrophobicContact CG2-CD1 3.73Å; I493-I504 HydrophobicContact CG2-CG1 4.22Å; I493-L508 HydrophobicContact CG2-CD2 4.49Å; I493-I512 HydrophobicContact CG2-CD1 4.35Å |
| 494 | L | 95.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.1 | -37.7 | 178.1 | -66.4 | 177.3 | 0 | 0 | 0 | 112.1 | I490 I492 S497 D498 I504 W509 I512 A548 R551 L552 I555 | I490-L494 HydrophobicContact CG2-CD1 3.67Å; I490-L494 HydrophobicContact CG2-CG 4.23Å; I490-L494 WeakPolarHBondContact O-CB 3.42Å; I490-L494 VanDerWaalsContact O-CG 3.27Å; I490-L494 WeakPolarHBondContact O-CG 3.47Å; I490-L494 PolarHBondContact O-N 3.48Å; I492-L494 VanDerWaalsContact C-N 3.29Å; I492-L494 PolarHBondContact O-N 3.18Å; L494-S497 PolarHBondContact O-N 3.25Å; L494-D498 VanDerWaalsContact O-CB 3.24Å; L494-D498 WeakPolarHBondContact O-CB 3.3Å; L494-D498 PolarHBondContact O-N 3.38Å; L494-I504 HydrophobicContact CD2-CD1 4.12Å; L494-W509 HydrophobicContact CD2-CH2 3.57Å; L494-W509 HydrophobicContact CD2-CZ3 3.54Å; L494-I512 HydrophobicContact CD1-CG2 4.49Å; L494-I512 HydrophobicContact CD2-CD1 4.27Å; L494-A548 HydrophobicContact CD1-CB 3.94Å; L494-R551 HydrophobicContact CB-CB 3.84Å; L494-L552 HydrophobicContact CD1-CB 4.24Å; L494-I555 HydrophobicContact CD2-CD1 4.13Å |
| 495 | T | 96.3 | Very high | 93.4 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 3% | 0.031 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -46.7 | 176 | -64.6 | 0 | 0 | 0 | 0 | 111.7 | L447 A491 I492 D498 K499 | L447-T495 HydrophobicContact CD2-CG2 4.28Å; L447-T495 WeakPolarHBondContact CD2-OG1 3.45Å; A491-T495 VanDerWaalsContact O-CB 3.24Å; A491-T495 WeakPolarHBondContact O-CB 3.33Å; A491-T495 PolarHBondContact O-N 3.35Å; A491-T495 PolarHBondContact O-OG1 3.35Å; I492-T495 PolarHBondContact O-N 3.48Å; I492-T495 VanDerWaalsContact O-N 3.14Å; T495-D498 PolarHBondContact O-N 2.97Å; T495-K499 HydrophobicContact CG2-CG 4.28Å; T495-K499 VanDerWaalsContact O-CB 3.26Å; T495-K499 WeakPolarHBondContact O-CB 3.36Å; T495-K499 WeakPolarHBondContact O-CG 3.25Å; T495-K499 PolarHBondContact O-N 2.68Å |
| 496 | L | 96.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.7 | -40.9 | 176.7 | -72.1 | 171.9 | 0 | 0 | 0 | 111.9 | W451 V462 V465 F466 F469 I492 I493 C500 L502 | W451-L496 HydrophobicContact CB-CD2 4.4Å; W451-L496 HydrophobicContact CD2-CD2 3.32Å; W451-L496 HydrophobicContact CD2-CG 4.47Å; W451-L496 HydrophobicContact CE3-CD2 3.35Å; W451-L496 HydrophobicContact CG-CD2 3.83Å; W451-L496 HydrophobicContact CH2-CD2 4.13Å; W451-L496 HydrophobicContact CZ2-CD2 4.09Å; W451-L496 HydrophobicContact CZ3-CD2 3.77Å; V462-L496 HydrophobicContact CG1-CD2 4.07Å; V465-L496 HydrophobicContact CG1-CD1 4.19Å; F466-L496 HydrophobicContact CB-CD1 4.17Å; F466-L496 HydrophobicContact CD2-CB 3.81Å; F466-L496 HydrophobicContact CD2-CD1 4.23Å; F469-L496 HydrophobicContact CD2-CD1 4.46Å; I492-L496 HydrophobicContact CG2-CD1 3.83Å; I492-L496 HydrophobicContact CG2-CG 4.42Å; I492-L496 WeakPolarHBondContact O-CG 3.5Å; I492-L496 PolarHBondContact O-N 2.91Å; I493-L496 PolarHBondContact O-N 3.11Å; L496-C500 WeakPolarHBondContact O-CA 3.42Å; L496-C500 WeakPolarHBondContact O-CB 3.25Å; L496-C500 PolarHBondContact O-N 3.37Å; L496-L502 HydrophobicContact CB-CD1 4.4Å |
| 497 | S | 95.5 | Very high | 93.3 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 8% | 0.084 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -61.8 | -49 | 176.3 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | I493 L494 S501 L502 | I493-S497 VanDerWaalsContact O-CB 3.3Å; I493-S497 WeakPolarHBondContact O-CB 3.37Å; I493-S497 PolarHBondContact O-N 3.2Å; L494-S497 PolarHBondContact O-N 3.25Å; S497-S501 VanDerWaalsContact O-CA 3.24Å; S497-S501 WeakPolarHBondContact O-CA 3.25Å; S497-S501 PolarHBondContact O-N 3.45Å; S497-L502 WeakPolarHBondContact CA-O 3.49Å; S497-L502 WeakPolarHBondContact CB-O 3.38Å; S497-L502 PolarHBondContact O-N 3.17Å; S497-L502 PolarHBondContact OG-O 2.99Å |
| 498 | D | 94.6 | Very high | 93.3 | Very high | 30 Ų | 30 | 30.6 Ų | 30.6 | 16% | 0.16 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.7 | -56.2 | 178.7 | -173.6 | 38.6 | 0 | 0 | 0 | 111.5 | L494 T495 R551 S554 I555 | L494-D498 VanDerWaalsContact O-CB 3.24Å; L494-D498 WeakPolarHBondContact O-CB 3.3Å; L494-D498 PolarHBondContact O-N 3.38Å; T495-D498 PolarHBondContact O-N 2.97Å; D498-R551 WeakPolarHBondContact OD2-CD 3.3Å; D498-R551 IonicContact OD2-NE 2.73Å; D498-R551 IonicContact OD2-NH1 3.01Å; D498-S554 WeakPolarHBondContact OD1-CB 3.29Å; D498-S554 PolarHBondContact OD1-OG 2.92Å; D498-S554 PolarHBondContact OD2-OG 3.37Å; D498-I555 HydrophobicContact CB-CD1 3.92Å; D498-I555 HydrophobicContact CB-CG1 3.66Å |
| 499 | K | 94.2 | Very high | 93.2 | Very high | 82 Ų | 82 | 30.8 Ų | 30.8 | 36% | 0.357 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -74.7 | -30 | -171.7 | -69 | -66.8 | -170.2 | 169.2 | 0 | 114.1 | W451 D452 T495 | W451-K499 HydrophobicContact CB-CB 3.97Å; D452-K499 HydrophobicContact CB-CB 4.5Å; D452-K499 IonicContact OD2-NZ 3.53Å; T495-K499 HydrophobicContact CG2-CG 4.28Å; T495-K499 VanDerWaalsContact O-CB 3.26Å; T495-K499 WeakPolarHBondContact O-CB 3.36Å; T495-K499 WeakPolarHBondContact O-CG 3.25Å; T495-K499 PolarHBondContact O-N 2.68Å |
| 500 | C | 94.6 | Very high | 92.9 | Very high | 7 Ų | 7 | 35.8 Ų | 35.8 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -111.5 | 2.2 | -173.4 | -48.5 | 0 | 0 | 0 | 0 | 112.9 | W451 A455 V462 L496 L502 | W451-C500 PolarHBondContact O-SG 2.74Å; A455-C500 HydrophobicContact CB-CB 3.81Å; V462-C500 HydrophobicContact CG1-CB 4.2Å; L496-C500 WeakPolarHBondContact O-CA 3.42Å; L496-C500 WeakPolarHBondContact O-CB 3.25Å; L496-C500 PolarHBondContact O-N 3.37Å; C500-L502 VanDerWaalsContact C-N 3.32Å; C500-L502 HydrophobicContact CB-CD1 4.05Å; C500-L502 HydrophobicContact CB-CG 3.83Å; C500-L502 PolarHBondContact O-N 3.4Å |
| 501 | S | 91.3 | Very high | 92.6 | Very high | 93 Ų | 93 | 38.3 Ų | 38.3 | 65% | 0.65 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.9 | 47.6 | -175.7 | -55.2 | 0 | 0 | 0 | 0 | 112.2 | S497 | S497-S501 VanDerWaalsContact O-CA 3.24Å; S497-S501 WeakPolarHBondContact O-CA 3.25Å; S497-S501 PolarHBondContact O-N 3.45Å |
| 502 | L | 92.4 | Very high | 92.4 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.042 | 20% | 0.202 | C | C | . | . | trans | -94.5 | 133.8 | 177.4 | -59.4 | 179 | 0 | 0 | 0 | 110.3 | V462 Q463 F466 L496 S497 C500 | V462-L502 HydrophobicContact CG1-CD1 4.32Å; Q463-L502 VanDerWaalsContact OE1-CD2 3.27Å; F466-L502 HydrophobicContact CB-CD1 3.4Å; F466-L502 VanDerWaalsContact CB-CD1 3.4Å; F466-L502 HydrophobicContact CD1-CB 4.27Å; F466-L502 HydrophobicContact CD1-CD1 4.11Å; F466-L502 HydrophobicContact CD2-CB 4.14Å; F466-L502 HydrophobicContact CD2-CD1 3.77Å; F466-L502 HydrophobicContact CE1-CB 4.23Å; F466-L502 HydrophobicContact CE2-CB 4.09Å; F466-L502 HydrophobicContact CG-CB 4.21Å; F466-L502 HydrophobicContact CG-CD1 3.49Å; F466-L502 VanDerWaalsContact CG-CD1 3.49Å; F466-L502 HydrophobicContact CG-CG 4.48Å; F466-L502 HydrophobicContact CZ-CB 4.12Å; L496-L502 HydrophobicContact CB-CD1 4.4Å; S497-L502 WeakPolarHBondContact CA-O 3.49Å; S497-L502 WeakPolarHBondContact CB-O 3.38Å; S497-L502 PolarHBondContact O-N 3.17Å; S497-L502 PolarHBondContact OG-O 2.99Å; C500-L502 VanDerWaalsContact C-N 3.32Å; C500-L502 HydrophobicContact CB-CD1 4.05Å; C500-L502 HydrophobicContact CB-CG 3.83Å; C500-L502 PolarHBondContact O-N 3.4Å | ||
| 503 | E | 90.6 | Very high | 92 | Very high | 179 Ų | 179 | 38.3 Ų | 38.3 | 84% | 0.836 | 20% | 0.202 | S | C | * | . | trans | -81.2 | 136.8 | -174.2 | -65.5 | -176.5 | 174 | 0 | 0 | 112.1 | ||||
| 504 | I | 92.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 9% | 0.087 | 21% | 0.214 | C | C | . | . | trans | -109.6 | 129.1 | 173.2 | -65.3 | 169.3 | 0 | 0 | 0 | 107.9 | F466 Y470 I493 L494 L508 W509 I512 | F466-I504 HydrophobicContact CE2-CG1 4.29Å; F466-I504 HydrophobicContact CZ-CG1 3.88Å; Y470-I504 HydrophobicContact CE2-CG2 4.42Å; I493-I504 HydrophobicContact CG2-CD1 3.73Å; I493-I504 HydrophobicContact CG2-CG1 4.22Å; L494-I504 HydrophobicContact CD2-CD1 4.12Å; I504-L508 HydrophobicContact CG2-CB 3.84Å; I504-L508 HydrophobicContact CG2-CD2 4.11Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; I504-W509 HydrophobicContact CB-CD2 4.43Å; I504-W509 HydrophobicContact CB-CZ2 4Å; I504-W509 HydrophobicContact CD1-CH2 3.96Å; I504-W509 HydrophobicContact CD1-CZ2 3.76Å; I504-W509 HydrophobicContact CG1-CZ2 4.4Å; I504-W509 HydrophobicContact CG2-CD2 3.95Å; I504-W509 HydrophobicContact CG2-CG 3.92Å; I504-W509 HydrophobicContact CG2-CZ2 4.37Å; I504-W509 PolarHBondContact O-NE1 3.07Å; I504-W509 VanDerWaalsContact O-NE1 3.16Å; I504-I512 HydrophobicContact CD1-CD1 4.39Å; I504-I512 HydrophobicContact CG2-CD1 4.44Å | ||
| 505 | D | 91.2 | Very high | 91 | Very high | 60 Ų | 60 | 39.8 Ų | 39.8 | 32% | 0.321 | 22% | 0.215 | S | C | . | . | trans | -69.5 | 154.8 | 177.7 | 78.4 | 42.6 | 0 | 0 | 0 | 112 | Y470 K474 A507 L508 W509 | Y470-D505 WeakPolarHBondContact OH-CB 3.46Å; Y470-D505 PolarHBondContact OH-N 3.24Å; Y470-D505 PolarHBondContact OH-OD1 3.23Å; Y470-D505 PolarHBondContact OH-OD2 3.45Å; K474-D505 IonicContact NZ-OD2 3.05Å; K474-D505 PolarHBondContact NZ-OD2 2.81Å; D505-A507 PolarHBondContact O-N 3.17Å; D505-A507 WeakPolarHBondContact OD1-CA 3.43Å; D505-A507 VanDerWaalsContact OD1-CB 3.32Å; D505-A507 WeakPolarHBondContact OD1-CB 3.44Å; D505-A507 PolarHBondContact OD1-N 3.27Å; D505-L508 PolarHBondContact O-N 2.87Å; D505-L508 VanDerWaalsContact O-N 3.15Å; D505-L508 PolarHBondContact OD1-N 3.06Å; D505-W509 VanDerWaalsContact O-CD1 3.27Å; D505-W509 PolarHBondContact O-N 3.41Å; D505-W509 VanDerWaalsContact O-N 3.09Å | ||
| 506 | I | 87.2 | Confident | 90.5 | Very high | 81 Ų | 81 | 39.5 Ų | 39.5 | 42% | 0.415 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.6 | -31.5 | -177.3 | -63.7 | 172.7 | 0 | 0 | 0 | 111.9 | W509 R510 T565 | I506-W509 PolarHBondContact O-N 2.95Å; I506-R510 WeakPolarHBondContact O-CG 3.36Å; I506-R510 PolarHBondContact O-N 3.07Å; I506-T565 HydrophobicContact CD1-CG2 4.04Å; I506-T565 HydrophobicContact CG1-CG2 4.45Å |
| 507 | A | 88.2 | Confident | 89.8 | Confident | 64 Ų | 64 | 40 Ų | 40 | 53% | 0.529 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -69.2 | -39.1 | -180 | 0 | 0 | 0 | 0 | 0 | 111.3 | D505 R510 H511 | D505-A507 PolarHBondContact O-N 3.17Å; D505-A507 WeakPolarHBondContact OD1-CA 3.43Å; D505-A507 VanDerWaalsContact OD1-CB 3.32Å; D505-A507 WeakPolarHBondContact OD1-CB 3.44Å; D505-A507 PolarHBondContact OD1-N 3.27Å; A507-R510 WeakPolarHBondContact O-CB 3.26Å; A507-R510 PolarHBondContact O-N 3.18Å; A507-H511 PolarHBondContact O-N 3.38Å |
| 508 | L | 90.2 | Very high | 89.2 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.5 | -37.6 | 175.4 | -163 | 66.8 | 0 | 0 | 0 | 111.8 | Y470 Y473 K474 I493 I504 D505 R510 H511 I512 | Y470-L508 HydrophobicContact CD1-CD2 4.41Å; Y470-L508 HydrophobicContact CD2-CD2 3.33Å; Y470-L508 HydrophobicContact CE1-CD2 4.24Å; Y470-L508 HydrophobicContact CE2-CB 4.24Å; Y470-L508 HydrophobicContact CE2-CD2 3.08Å; Y470-L508 HydrophobicContact CE2-CG 4.22Å; Y470-L508 HydrophobicContact CG-CD2 3.99Å; Y473-L508 HydrophobicContact CD1-CD1 3.52Å; Y473-L508 HydrophobicContact CD1-CD2 4.26Å; Y473-L508 HydrophobicContact CD1-CG 4.13Å; Y473-L508 HydrophobicContact CE1-CD1 3.78Å; Y473-L508 HydrophobicContact CE1-CG 4.29Å; K474-L508 HydrophobicContact CG-CD1 3.82Å; I493-L508 HydrophobicContact CG2-CD2 4.49Å; I504-L508 HydrophobicContact CG2-CB 3.84Å; I504-L508 HydrophobicContact CG2-CD2 4.11Å; I504-L508 HydrophobicContact CG2-CG 4.28Å; D505-L508 PolarHBondContact O-N 2.87Å; D505-L508 VanDerWaalsContact O-N 3.15Å; D505-L508 PolarHBondContact OD1-N 3.06Å; L508-R510 VanDerWaalsContact C-N 3.28Å; L508-R510 PolarHBondContact O-N 3.3Å; L508-H511 HydrophobicContact CD1-CB 4.37Å; L508-H511 WeakPolarHBondContact O-CA 3.37Å; L508-H511 WeakPolarHBondContact O-CB 3.48Å; L508-H511 PolarHBondContact O-N 3.37Å; L508-I512 HydrophobicContact CG-CD1 4.31Å; L508-I512 HydrophobicContact CG-CG1 4.44Å; L508-I512 WeakPolarHBondContact O-CG1 3.45Å; L508-I512 PolarHBondContact O-N 3.17Å |
| 509 | W | 90 | Very high | 88.7 | Confident | 3 Ų | 3 | 40.4 Ų | 40.4 | 1% | 0.011 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -54.8 | -44.1 | 172.9 | -81.3 | 116.7 | 0 | 0 | 0 | 112.8 | L494 I504 D505 I506 H511 I512 F513 L552 I555 L562 L566 | L494-W509 HydrophobicContact CD2-CH2 3.57Å; L494-W509 HydrophobicContact CD2-CZ3 3.54Å; I504-W509 HydrophobicContact CB-CD2 4.43Å; I504-W509 HydrophobicContact CB-CZ2 4Å; I504-W509 HydrophobicContact CD1-CH2 3.96Å; I504-W509 HydrophobicContact CD1-CZ2 3.76Å; I504-W509 HydrophobicContact CG1-CZ2 4.4Å; I504-W509 HydrophobicContact CG2-CD2 3.95Å; I504-W509 HydrophobicContact CG2-CG 3.92Å; I504-W509 HydrophobicContact CG2-CZ2 4.37Å; I504-W509 PolarHBondContact O-NE1 3.07Å; I504-W509 VanDerWaalsContact O-NE1 3.16Å; D505-W509 VanDerWaalsContact O-CD1 3.27Å; D505-W509 PolarHBondContact O-N 3.41Å; D505-W509 VanDerWaalsContact O-N 3.09Å; I506-W509 PolarHBondContact O-N 2.95Å; W509-H511 VanDerWaalsContact C-N 3.26Å; W509-H511 PolarHBondContact O-N 3.27Å; W509-I512 HydrophobicContact CE3-CD1 4.35Å; W509-I512 PolarHBondContact O-N 2.87Å; W509-F513 AromaticContact CE3-CE1 4Å; W509-F513 HydrophobicContact CE3-CE1 4Å; W509-F513 HydrophobicContact CE3-CZ 4.13Å; W509-F513 HydrophobicContact CZ3-CE1 4.34Å; W509-F513 WeakPolarHBondContact O-CG 3.48Å; W509-F513 PolarHBondContact O-N 3.37Å; W509-L552 HydrophobicContact CE3-CD1 4.49Å; W509-L552 HydrophobicContact CH2-CD1 4.03Å; W509-L552 HydrophobicContact CZ3-CD1 3.54Å; W509-I555 HydrophobicContact CH2-CD1 4.21Å; W509-I555 HydrophobicContact CH2-CG2 4.23Å; W509-I555 HydrophobicContact CZ2-CG2 4.3Å; W509-L562 HydrophobicContact CZ2-CD2 4.05Å; W509-L566 HydrophobicContact CB-CD2 3.58Å; W509-L566 HydrophobicContact CD2-CD1 3.53Å; W509-L566 HydrophobicContact CD2-CD2 4.08Å; W509-L566 HydrophobicContact CD2-CG 4.47Å; W509-L566 HydrophobicContact CE3-CD1 3.82Å; W509-L566 HydrophobicContact CG-CD1 3.92Å; W509-L566 HydrophobicContact CG-CD2 3.53Å; W509-L566 HydrophobicContact CG-CG 4.38Å; W509-L566 HydrophobicContact CH2-CD1 4.38Å; W509-L566 HydrophobicContact CZ2-CD1 4.12Å; W509-L566 HydrophobicContact CZ3-CD1 4.25Å |
| 510 | R | 87.4 | Confident | 88 | Confident | 105 Ų | 105 | 38.5 Ų | 38.5 | 40% | 0.396 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -59.4 | -38.8 | 174.9 | -71.9 | 175.7 | 174.9 | 155.3 | 6.8 | 112.4 | I506 A507 L508 G514 E569 | I506-R510 WeakPolarHBondContact O-CG 3.36Å; I506-R510 PolarHBondContact O-N 3.07Å; A507-R510 WeakPolarHBondContact O-CB 3.26Å; A507-R510 PolarHBondContact O-N 3.18Å; L508-R510 VanDerWaalsContact C-N 3.28Å; L508-R510 PolarHBondContact O-N 3.3Å; R510-G514 PolarHBondContact O-N 3.17Å; R510-E569 HydrophobicContact CG-CG 4.11Å; R510-E569 VanDerWaalsContact CG-OE2 3.26Å; R510-E569 WeakPolarHBondContact CG-OE2 3.47Å; R510-E569 IonicContact CZ-OE1 3.26Å; R510-E569 IonicContact NE-OE1 2.67Å; R510-E569 PolarHBondContact NE-OE1 3.35Å; R510-E569 IonicContact NE-OE2 3.47Å; R510-E569 PolarHBondContact NE-OE2 3.43Å; R510-E569 IonicContact NH2-OE1 3.29Å; R510-E569 PolarHBondContact NH2-OE1 3.11Å |
| 511 | H | 88.7 | Confident | 87.3 | Confident | 56 Ų | 56 | 42.9 Ų | 42.9 | 26% | 0.259 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.6 | -47.5 | 178.6 | -165.7 | 33.2 | 0 | 0 | 0 | 111.2 | Y473 A507 L508 W509 F513 G514 D515 | Y473-H511 HydrophobicContact CE1-CB 4.32Å; Y473-H511 AromaticContact CE1-CD2 3.42Å; Y473-H511 VanDerWaalsContact CE1-CD2 3.42Å; Y473-H511 WeakPolarHBondContact CE1-CD2 3.29Å; Y473-H511 AromaticContact CZ-CD2 3.46Å; Y473-H511 VanDerWaalsContact CZ-CD2 3.46Å; Y473-H511 AromaticContact CZ-NE2 3.86Å; Y473-H511 PolarHBondContact OH-O 3.35Å; A507-H511 PolarHBondContact O-N 3.38Å; L508-H511 HydrophobicContact CD1-CB 4.37Å; L508-H511 WeakPolarHBondContact O-CA 3.37Å; L508-H511 WeakPolarHBondContact O-CB 3.48Å; L508-H511 PolarHBondContact O-N 3.37Å; W509-H511 VanDerWaalsContact C-N 3.26Å; W509-H511 PolarHBondContact O-N 3.27Å; H511-F513 VanDerWaalsContact C-N 3.34Å; H511-F513 PolarHBondContact O-N 3.44Å; H511-G514 PolarHBondContact O-N 3.25Å; H511-D515 IonicContact CE1-OD1 3.74Å; H511-D515 PolarHBondContact CE1-OD1 3.23Å; H511-D515 IonicContact CE1-OD2 2.82Å; H511-D515 IonicContact ND1-OD1 3.86Å; H511-D515 PolarHBondContact O-N 3.33Å |
| 512 | I | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.6 | -48.6 | 176.6 | -68.8 | 172.3 | 0 | 0 | 0 | 110.9 | Y473 I490 I493 L494 I504 L508 W509 G514 D515 I516 | Y473-I512 HydrophobicContact CE1-CG1 3.66Å; I490-I512 HydrophobicContact CG2-CG2 3.84Å; I493-I512 HydrophobicContact CG2-CD1 4.35Å; L494-I512 HydrophobicContact CD1-CG2 4.49Å; L494-I512 HydrophobicContact CD2-CD1 4.27Å; I504-I512 HydrophobicContact CD1-CD1 4.39Å; I504-I512 HydrophobicContact CG2-CD1 4.44Å; L508-I512 HydrophobicContact CG-CD1 4.31Å; L508-I512 HydrophobicContact CG-CG1 4.44Å; L508-I512 WeakPolarHBondContact O-CG1 3.45Å; L508-I512 PolarHBondContact O-N 3.17Å; W509-I512 HydrophobicContact CE3-CD1 4.35Å; W509-I512 PolarHBondContact O-N 2.87Å; I512-G514 PolarHBondContact O-N 3.15Å; I512-D515 PolarHBondContact O-N 3.35Å; I512-I516 HydrophobicContact CG2-CD1 3.66Å; I512-I516 HydrophobicContact CG2-CG1 4.27Å; I512-I516 VanDerWaalsContact O-CG1 3.24Å; I512-I516 WeakPolarHBondContact O-CG1 3.39Å; I512-I516 PolarHBondContact O-N 2.89Å |
| 513 | F | 87.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | -179.7 | -66 | -16.9 | 0 | 0 | 0 | 112.7 | W509 H511 D515 I516 A517 L552 L566 E569 W570 V573 F596 | W509-F513 AromaticContact CE3-CE1 4Å; W509-F513 HydrophobicContact CE3-CE1 4Å; W509-F513 HydrophobicContact CE3-CZ 4.13Å; W509-F513 HydrophobicContact CZ3-CE1 4.34Å; W509-F513 WeakPolarHBondContact O-CG 3.48Å; W509-F513 PolarHBondContact O-N 3.37Å; H511-F513 VanDerWaalsContact C-N 3.34Å; H511-F513 PolarHBondContact O-N 3.44Å; F513-D515 VanDerWaalsContact C-N 3.31Å; F513-D515 PolarHBondContact O-N 3.21Å; F513-I516 PolarHBondContact O-N 3.39Å; F513-A517 PolarHBondContact O-N 3.21Å; F513-A517 VanDerWaalsContact O-N 3.15Å; F513-L552 HydrophobicContact CD1-CD2 4.44Å; F513-L552 HydrophobicContact CE1-CD1 3.96Å; F513-L552 HydrophobicContact CE1-CD2 3.86Å; F513-L566 HydrophobicContact CE2-CB 4.05Å; F513-L566 HydrophobicContact CE2-CD2 4.41Å; F513-L566 HydrophobicContact CZ-CB 4.07Å; F513-L566 HydrophobicContact CZ-CD1 4.04Å; F513-L566 HydrophobicContact CZ-CG 4.46Å; F513-E569 HydrophobicContact CD2-CB 4.09Å; F513-E569 HydrophobicContact CE2-CB 4.1Å; F513-W570 AromaticContact CD1-CE3 3.9Å; F513-W570 HydrophobicContact CD1-CE3 3.9Å; F513-W570 HydrophobicContact CD1-CZ3 4.16Å; F513-W570 HydrophobicContact CD2-CB 4.38Å; F513-W570 HydrophobicContact CD2-CE3 4.37Å; F513-W570 AromaticContact CE1-CE3 3.91Å; F513-W570 HydrophobicContact CE1-CE3 3.91Å; F513-W570 HydrophobicContact CE1-CZ3 4.28Å; F513-W570 HydrophobicContact CE2-CB 4.09Å; F513-W570 HydrophobicContact CE2-CE3 4.36Å; F513-W570 HydrophobicContact CG-CE3 4.15Å; F513-W570 HydrophobicContact CZ-CE3 4.15Å; F513-V573 HydrophobicContact CB-CB 4.48Å; F513-V573 HydrophobicContact CB-CG2 3.95Å; F513-F596 HydrophobicContact CE2-CZ 4.5Å; F513-F596 AromaticContact CZ-CZ 3.94Å; F513-F596 HydrophobicContact CZ-CZ 3.94Å |
| 514 | G | 84.8 | Confident | 85.5 | Confident | 24 Ų | 24 | 35.3 Ų | 35.3 | 25% | 0.247 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.1 | -45.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R510 H511 I512 A517 V518 | R510-G514 PolarHBondContact O-N 3.17Å; H511-G514 PolarHBondContact O-N 3.25Å; I512-G514 PolarHBondContact O-N 3.15Å; G514-A517 PolarHBondContact O-N 3.2Å; G514-V518 WeakPolarHBondContact O-CG2 3.44Å; G514-V518 PolarHBondContact O-N 3.25Å; G514-V518 VanDerWaalsContact O-N 3.09Å |
| 515 | D | 86.7 | Confident | 84.7 | Confident | 6 Ų | 6 | 42.3 Ų | 42.3 | 3% | 0.032 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -69 | -42.4 | -179.3 | -78.8 | 23.2 | 0 | 0 | 0 | 112.8 | Y473 H478 I490 H511 I512 F513 A517 V518 V519 | Y473-D515 VanDerWaalsContact CE2-OD2 3.28Å; Y473-D515 WeakPolarHBondContact CE2-OD2 3.39Å; Y473-D515 VanDerWaalsContact OH-CB 3.32Å; Y473-D515 WeakPolarHBondContact OH-CB 3.36Å; Y473-D515 PolarHBondContact OH-OD2 3.17Å; H478-D515 IonicContact CD2-OD1 3.02Å; H478-D515 PolarHBondContact CD2-OD1 3.33Å; H478-D515 IonicContact CD2-OD2 3.37Å; H478-D515 IonicContact CE1-OD2 2.85Å; H478-D515 IonicContact NE2-OD1 3.85Å; H478-D515 PolarHBondContact NE2-OD1 3.18Å; H478-D515 IonicContact NE2-OD2 3.41Å; H478-D515 PolarHBondContact NE2-OD2 3.04Å; I490-D515 HydrophobicContact CD1-CB 3.6Å; H511-D515 IonicContact CE1-OD1 3.74Å; H511-D515 PolarHBondContact CE1-OD1 3.23Å; H511-D515 IonicContact CE1-OD2 2.82Å; H511-D515 IonicContact ND1-OD1 3.86Å; H511-D515 PolarHBondContact O-N 3.33Å; I512-D515 PolarHBondContact O-N 3.35Å; F513-D515 VanDerWaalsContact C-N 3.31Å; F513-D515 PolarHBondContact O-N 3.21Å; D515-A517 PolarHBondContact O-N 2.91Å; D515-V518 PolarHBondContact O-N 3.49Å; D515-V518 VanDerWaalsContact O-N 3.15Å; D515-V519 WeakPolarHBondContact O-CB 3.49Å; D515-V519 VanDerWaalsContact O-CG2 3.25Å; D515-V519 WeakPolarHBondContact O-CG2 3.39Å; D515-V519 PolarHBondContact O-N 3.33Å |
| 516 | I | 86 | Confident | 83.9 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55 | -44.9 | 174.5 | -70.3 | 172.3 | 0 | 0 | 0 | 109.8 | I490 I512 F513 V518 V519 E520 L545 L552 Y574 L589 | I490-I516 HydrophobicContact CD1-CG1 4.25Å; I490-I516 HydrophobicContact CG2-CD1 4.23Å; I490-I516 HydrophobicContact CG2-CG1 4.23Å; I512-I516 HydrophobicContact CG2-CD1 3.66Å; I512-I516 HydrophobicContact CG2-CG1 4.27Å; I512-I516 VanDerWaalsContact O-CG1 3.24Å; I512-I516 WeakPolarHBondContact O-CG1 3.39Å; I512-I516 PolarHBondContact O-N 2.89Å; F513-I516 PolarHBondContact O-N 3.39Å; I516-V518 PolarHBondContact O-N 2.8Å; I516-V519 PolarHBondContact O-N 3.49Å; I516-E520 WeakPolarHBondContact O-CB 3.28Å; I516-E520 PolarHBondContact O-N 3.07Å; I516-L545 HydrophobicContact CB-CD1 4.28Å; I516-L545 HydrophobicContact CG1-CD1 4.18Å; I516-L545 HydrophobicContact CG2-CD1 3.82Å; I516-L552 HydrophobicContact CD1-CD2 4.32Å; I516-Y574 WeakPolarHBondContact CG2-OH 3.5Å; I516-L589 HydrophobicContact CG2-CD1 3.92Å; I516-L589 HydrophobicContact CG2-CD2 3.63Å; I516-L589 HydrophobicContact CG2-CG 4.46Å |
| 517 | A | 82.3 | Confident | 83.1 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 8% | 0.083 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.1 | -39.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | F513 G514 D515 Q521 V573 Y574 | F513-A517 PolarHBondContact O-N 3.21Å; F513-A517 VanDerWaalsContact O-N 3.15Å; G514-A517 PolarHBondContact O-N 3.2Å; D515-A517 PolarHBondContact O-N 2.91Å; A517-Q521 VanDerWaalsContact O-CG 3.29Å; A517-Q521 WeakPolarHBondContact O-CG 3.44Å; A517-Q521 PolarHBondContact O-N 3.4Å; A517-Q521 VanDerWaalsContact O-N 3.07Å; A517-V573 HydrophobicContact CB-CG1 3.46Å; A517-V573 VanDerWaalsContact CB-CG1 3.46Å; A517-Y574 WeakPolarHBondContact CA-OH 3.46Å; A517-Y574 HydrophobicContact CB-CE1 4.14Å; A517-Y574 HydrophobicContact CB-CE2 4.31Å; A517-Y574 WeakPolarHBondContact CB-OH 3.2Å; A517-Y574 PolarHBondContact N-OH 3.21Å; A517-Y574 VanDerWaalsContact N-OH 3.13Å |
| 518 | V | 83 | Confident | 82 | Confident | 51 Ų | 51 | 42.7 Ų | 42.7 | 31% | 0.309 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -67 | -43.8 | 176.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Y483 G514 D515 I516 Q521 F522 | Y483-V518 HydrophobicContact CD1-CG1 4.09Å; Y483-V518 HydrophobicContact CE1-CG1 3.33Å; G514-V518 WeakPolarHBondContact O-CG2 3.44Å; G514-V518 PolarHBondContact O-N 3.25Å; G514-V518 VanDerWaalsContact O-N 3.09Å; D515-V518 PolarHBondContact O-N 3.49Å; D515-V518 VanDerWaalsContact O-N 3.15Å; I516-V518 PolarHBondContact O-N 2.8Å; V518-Q521 PolarHBondContact O-N 3.48Å; V518-F522 PolarHBondContact O-N 3.42Å |
| 519 | V | 83.4 | Confident | 80.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.3 | -41.4 | 178 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | Y483 A487 D515 I516 Q521 F522 I523 T541 L545 | Y483-V519 HydrophobicContact CD1-CG2 4.16Å; A487-V519 HydrophobicContact CB-CG1 4.26Å; D515-V519 WeakPolarHBondContact O-CB 3.49Å; D515-V519 VanDerWaalsContact O-CG2 3.25Å; D515-V519 WeakPolarHBondContact O-CG2 3.39Å; D515-V519 PolarHBondContact O-N 3.33Å; I516-V519 PolarHBondContact O-N 3.49Å; V519-Q521 PolarHBondContact O-N 2.99Å; V519-F522 WeakPolarHBondContact O-CB 3.36Å; V519-F522 PolarHBondContact O-N 3.36Å; V519-I523 HydrophobicContact CG1-CD1 4.02Å; V519-I523 WeakPolarHBondContact O-CG1 3.42Å; V519-I523 PolarHBondContact O-N 2.96Å; V519-T541 HydrophobicContact CG1-CG2 3.42Å; V519-T541 VanDerWaalsContact CG1-CG2 3.42Å; V519-L545 HydrophobicContact CB-CD1 4.49Å; V519-L545 HydrophobicContact CG1-CD1 4.26Å; V519-L545 HydrophobicContact CG1-CD2 4.15Å |
| 520 | E | 80.1 | Confident | 78.6 | Confident | 41 Ų | 41 | 57.2 Ų | 57.2 | 19% | 0.192 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174.8 | -175.2 | -169.3 | -172.9 | 0 | 0 | 111.3 | I516 F522 I523 A524 L545 Y574 L589 | I516-E520 WeakPolarHBondContact O-CB 3.28Å; I516-E520 PolarHBondContact O-N 3.07Å; E520-F522 VanDerWaalsContact C-N 3.3Å; E520-F522 PolarHBondContact O-N 3.21Å; E520-I523 PolarHBondContact O-N 3.24Å; E520-A524 WeakPolarHBondContact O-CB 3.17Å; E520-A524 PolarHBondContact O-N 3.28Å; E520-L545 HydrophobicContact CB-CD2 4.26Å; E520-Y574 WeakPolarHBondContact OE2-CE1 3.29Å; E520-L589 HydrophobicContact CB-CD1 4.24Å; E520-L589 HydrophobicContact CG-CD1 4.12Å |
| 521 | Q | 80.5 | Confident | 76.7 | Confident | 100 Ų | 100 | 57.6 Ų | 57.6 | 47% | 0.467 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.5 | -38.7 | 175.9 | -73.1 | 177.5 | 21.8 | 0 | 0 | 112.3 | A517 V518 V519 R525 | A517-Q521 VanDerWaalsContact O-CG 3.29Å; A517-Q521 WeakPolarHBondContact O-CG 3.44Å; A517-Q521 PolarHBondContact O-N 3.4Å; A517-Q521 VanDerWaalsContact O-N 3.07Å; V518-Q521 PolarHBondContact O-N 3.48Å; V519-Q521 PolarHBondContact O-N 2.99Å; Q521-R525 WeakPolarHBondContact O-CB 3.36Å; Q521-R525 VanDerWaalsContact O-CG 3.23Å; Q521-R525 WeakPolarHBondContact O-CG 3.49Å; Q521-R525 PolarHBondContact O-N 3.33Å; Q521-R525 VanDerWaalsContact O-N 3.11Å |
| 522 | F | 80.1 | Confident | 74.8 | Confident | 50 Ų | 50 | 62.7 Ų | 62.7 | 22% | 0.219 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 175 | 166.6 | -101.6 | 0 | 0 | 0 | 111.2 | Y483 V518 V519 E520 R525 N526 | Y483-F522 HydrophobicContact CD1-CB 4.48Å; Y483-F522 HydrophobicContact CD2-CB 3.71Å; Y483-F522 AromaticContact CD2-CD1 3.67Å; Y483-F522 HydrophobicContact CD2-CD1 3.67Å; Y483-F522 AromaticContact CD2-CD2 3.21Å; Y483-F522 HydrophobicContact CD2-CD2 3.21Å; Y483-F522 HydrophobicContact CD2-CE1 4.07Å; Y483-F522 AromaticContact CD2-CE2 3.65Å; Y483-F522 HydrophobicContact CD2-CE2 3.65Å; Y483-F522 AromaticContact CD2-CG 3.21Å; Y483-F522 HydrophobicContact CD2-CG 3.21Å; Y483-F522 HydrophobicContact CD2-CZ 4.06Å; Y483-F522 HydrophobicContact CE2-CB 3.81Å; Y483-F522 HydrophobicContact CE2-CD1 4.49Å; Y483-F522 AromaticContact CE2-CD2 3.31Å; Y483-F522 HydrophobicContact CE2-CD2 3.31Å; Y483-F522 AromaticContact CE2-CE2 3.99Å; Y483-F522 HydrophobicContact CE2-CE2 3.99Å; Y483-F522 AromaticContact CE2-CG 3.62Å; Y483-F522 HydrophobicContact CE2-CG 3.62Å; Y483-F522 HydrophobicContact CG-CB 4.04Å; Y483-F522 AromaticContact CG-CD1 3.99Å; Y483-F522 HydrophobicContact CG-CD1 3.99Å; Y483-F522 HydrophobicContact CG-CD2 4.25Å; Y483-F522 AromaticContact CG-CG 3.82Å; Y483-F522 HydrophobicContact CG-CG 3.82Å; V518-F522 PolarHBondContact O-N 3.42Å; V519-F522 WeakPolarHBondContact O-CB 3.36Å; V519-F522 PolarHBondContact O-N 3.36Å; E520-F522 VanDerWaalsContact C-N 3.3Å; E520-F522 PolarHBondContact O-N 3.21Å; F522-R525 PolarHBondContact O-N 2.92Å; F522-N526 VanDerWaalsContact CD2-ND2 3.33Å; F522-N526 WeakPolarHBondContact CD2-ND2 3.26Å; F522-N526 VanDerWaalsContact CE2-ND2 3.29Å; F522-N526 WeakPolarHBondContact CE2-ND2 3.48Å; F522-N526 PolarHBondContact O-N 3.16Å; F522-N526 PolarHBondContact O-ND2 3.39Å |
| 523 | I | 78.8 | Confident | 72.6 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.6 | -49.3 | 178.4 | -67 | 162.8 | 0 | 0 | 0 | 110.3 | V519 E520 R525 N526 F527 T541 M542 L545 P585 | V519-I523 HydrophobicContact CG1-CD1 4.02Å; V519-I523 WeakPolarHBondContact O-CG1 3.42Å; V519-I523 PolarHBondContact O-N 2.96Å; E520-I523 PolarHBondContact O-N 3.24Å; I523-R525 PolarHBondContact O-N 3.13Å; I523-R525 VanDerWaalsContact O-N 3.15Å; I523-N526 PolarHBondContact O-N 3.45Å; I523-F527 WeakPolarHBondContact O-CB 3.41Å; I523-F527 PolarHBondContact O-N 2.89Å; I523-T541 HydrophobicContact CD1-CG2 4Å; I523-T541 HydrophobicContact CG1-CG2 4.22Å; I523-M542 HydrophobicContact CD1-CG 3.89Å; I523-M542 HydrophobicContact CG1-CG 4.2Å; I523-M542 HydrophobicContact CG2-CG 3.65Å; I523-M542 HydrophobicContact CG2-SD 3.97Å; I523-L545 HydrophobicContact CD1-CB 4.45Å; I523-L545 HydrophobicContact CD1-CD2 3.64Å; I523-P585 HydrophobicContact CG2-CG 3.5Å; I523-P585 VanDerWaalsContact CG2-CG 3.5Å |
| 524 | A | 77.3 | Confident | 70.8 | Confident | 70 Ų | 70 | 72 Ų | 72 | 58% | 0.579 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -57.9 | -31.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E520 | E520-A524 WeakPolarHBondContact O-CB 3.17Å; E520-A524 PolarHBondContact O-N 3.28Å |
| 525 | R | 75.6 | Confident | 69.2 | Low | 164 Ų | 164 | 74.6 Ų | 74.6 | 62% | 0.619 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -76.9 | -23.7 | 177.3 | -73.9 | 173.8 | -171.7 | 170.8 | 8.8 | 114.1 | Q521 F522 I523 R529 | Q521-R525 WeakPolarHBondContact O-CB 3.36Å; Q521-R525 VanDerWaalsContact O-CG 3.23Å; Q521-R525 WeakPolarHBondContact O-CG 3.49Å; Q521-R525 PolarHBondContact O-N 3.33Å; Q521-R525 VanDerWaalsContact O-N 3.11Å; F522-R525 PolarHBondContact O-N 2.92Å; I523-R525 PolarHBondContact O-N 3.13Å; I523-R525 VanDerWaalsContact O-N 3.15Å; R525-R529 PolarHBondContact O-NE 3.43Å |
| 526 | N | 74.1 | Confident | 68.2 | Low | 38 Ų | 38 | 79.9 Ų | 79.9 | 20% | 0.203 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -113.9 | -13.6 | -172.3 | -65.3 | -73.3 | 0 | 0 | 0 | 113.6 | F522 I523 G528 R529 I538 | F522-N526 VanDerWaalsContact CD2-ND2 3.33Å; F522-N526 WeakPolarHBondContact CD2-ND2 3.26Å; F522-N526 VanDerWaalsContact CE2-ND2 3.29Å; F522-N526 WeakPolarHBondContact CE2-ND2 3.48Å; F522-N526 PolarHBondContact O-N 3.16Å; F522-N526 PolarHBondContact O-ND2 3.39Å; I523-N526 PolarHBondContact O-N 3.45Å; N526-G528 PolarHBondContact O-N 2.99Å; N526-R529 PolarHBondContact O-N 3.15Å; N526-I538 HydrophobicContact CB-CD1 3.65Å; N526-I538 HydrophobicContact CB-CG1 4.47Å |
| 527 | F | 70.1 | Confident | 67.5 | Low | 104 Ų | 104 | 84.9 Ų | 84.9 | 46% | 0.456 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 127.1 | 176.9 | -168.7 | -101.6 | 0 | 0 | 0 | 111.1 | I523 M542 P585 | I523-F527 WeakPolarHBondContact O-CB 3.41Å; I523-F527 PolarHBondContact O-N 2.89Å; F527-M542 HydrophobicContact CD2-CE 4.31Å; F527-M542 HydrophobicContact CD2-SD 3.67Å; F527-M542 HydrophobicContact CE2-CE 3.79Å; F527-M542 HydrophobicContact CE2-SD 3.73Å; F527-P585 HydrophobicContact CD2-CG 3.85Å; F527-P585 HydrophobicContact CE2-CG 4.02Å; F527-P585 HydrophobicContact CG-CG 4.42Å |
| 528 | G | 65.5 | Low | 67.4 | Low | 71 Ų | 71 | 85.8 Ų | 85.8 | 73% | 0.732 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79 | 10.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | N526 | N526-G528 PolarHBondContact O-N 2.99Š|
| 529 | R | 62 | Low | 67.4 | Low | 150 Ų | 150 | 86.2 Ų | 86.2 | 57% | 0.566 | 46% | 0.463 | S | S | * | . | trans | -82.9 | 112.8 | 167 | -69.9 | -175.3 | 176.6 | -176.4 | -3.8 | 109.5 | R525 N526 N531 | R525-R529 PolarHBondContact O-NE 3.43Å; N526-R529 PolarHBondContact O-N 3.15Å; R529-N531 PolarHBondContact O-N 3.29Å | ||
| 530 | D | 46.9 | Very low | 67.2 | Low | 161 Ų | 161 | 89.4 Ų | 89.4 | 86% | 0.861 | 48% | 0.478 | S | S | * | . | trans | -67.7 | 81.7 | 166.6 | -67.1 | -26.7 | 0 | 0 | 0 | 109.1 | ||||
| 531 | N | 47.8 | Very low | 67.5 | Low | 112 Ų | 112 | 87.4 Ų | 87.4 | 60% | 0.599 | 47% | 0.469 | S | S | * | . | trans | -116 | 109.2 | 165.4 | -82.9 | -4.7 | 0 | 0 | 0 | 107.3 | R529 D533 G534 | R529-N531 PolarHBondContact O-N 3.29Å; N531-D533 PolarHBondContact O-N 3.18Å; N531-G534 PolarHBondContact O-N 3.21Å | ||
| 532 | D | 48.3 | Very low | 67.7 | Low | 164 Ų | 164 | 84.5 Ų | 84.5 | 88% | 0.877 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -5.6 | -175.3 | -78.2 | -35.4 | 0 | 0 | 0 | 115.7 | ||
| 533 | D | 45.2 | Very low | 68 | Low | 165 Ų | 165 | 85.6 Ų | 85.6 | 88% | 0.882 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.7 | 8.4 | -174.2 | -71 | -28.4 | 0 | 0 | 0 | 115.2 | N531 | N531-D533 PolarHBondContact O-N 3.18Š|
| 534 | G | 47.8 | Very low | 68.5 | Low | 29 Ų | 29 | 85.8 Ų | 85.8 | 30% | 0.299 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -155.1 | 12.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 119 | N531 D536 | N531-G534 PolarHBondContact O-N 3.21Å; G534-D536 PolarHBondContact O-N 2.74Å |
| 535 | T | 52.7 | Low | 69.1 | Low | 79 Ų | 79 | 82.6 Ų | 82.6 | 49% | 0.485 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -65.8 | -34.1 | -176.2 | 37.2 | 0 | 0 | 0 | 0 | 114.4 | Y537 I538 A539 | T535-Y537 PolarHBondContact O-N 3.4Å; T535-I538 PolarHBondContact O-N 3.4Å; T535-A539 PolarHBondContact O-N 2.73Å |
| 536 | D | 64.5 | Low | 69.6 | Low | 118 Ų | 118 | 76.8 Ų | 76.8 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -65.8 | -40 | -172.7 | -65.7 | -10.1 | 0 | 0 | 0 | 111.9 | G534 I538 A539 E540 | G534-D536 PolarHBondContact O-N 2.74Å; D536-I538 VanDerWaalsContact C-N 3.3Å; D536-I538 PolarHBondContact O-N 3Å; D536-A539 PolarHBondContact O-N 2.9Å; D536-E540 WeakPolarHBondContact O-CG 3.43Å; D536-E540 PolarHBondContact O-N 3.26Å |
| 537 | Y | 72.2 | Confident | 70.3 | Confident | 104 Ų | 104 | 77.1 Ų | 77.1 | 41% | 0.408 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -62.5 | -34.9 | 177.9 | -65.4 | -63.6 | 0 | 0 | 0 | 113 | H484 T535 T541 | H484-Y537 AromaticContact ND1-CD1 3.87Å; T535-Y537 PolarHBondContact O-N 3.4Å; Y537-T541 VanDerWaalsContact O-CB 3.24Å; Y537-T541 WeakPolarHBondContact O-CB 3.35Å; Y537-T541 PolarHBondContact O-N 3.03Å; Y537-T541 PolarHBondContact O-OG1 3.36Å |
| 538 | I | 80.5 | Confident | 71.3 | Confident | 29 Ų | 29 | 72.1 Ų | 72.1 | 15% | 0.149 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -70.9 | -46.5 | -179.3 | -61.7 | 173.4 | 0 | 0 | 0 | 109.7 | N526 T535 D536 T541 M542 | N526-I538 HydrophobicContact CB-CD1 3.65Å; N526-I538 HydrophobicContact CB-CG1 4.47Å; T535-I538 PolarHBondContact O-N 3.4Å; D536-I538 VanDerWaalsContact C-N 3.3Å; D536-I538 PolarHBondContact O-N 3Å; I538-T541 PolarHBondContact O-N 3.38Å; I538-M542 HydrophobicContact CG2-CG 4.47Å; I538-M542 HydrophobicContact CG2-SD 4Å; I538-M542 WeakPolarHBondContact O-CB 3.27Å; I538-M542 VanDerWaalsContact O-CG 3.24Å; I538-M542 WeakPolarHBondContact O-CG 3.17Å; I538-M542 PolarHBondContact O-N 2.74Å |
| 539 | A | 81.3 | Confident | 72.3 | Confident | 61 Ų | 61 | 68.8 Ų | 68.8 | 50% | 0.504 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T535 D536 M542 E543 | T535-A539 PolarHBondContact O-N 2.73Å; D536-A539 PolarHBondContact O-N 2.9Å; A539-M542 WeakPolarHBondContact O-CB 3.31Å; A539-M542 PolarHBondContact O-N 2.95Å; A539-E543 PolarHBondContact O-N 3.42Å |
| 540 | E | 80.6 | Confident | 73.6 | Confident | 66 Ų | 66 | 67.2 Ų | 67.2 | 31% | 0.308 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 175.2 | -73.3 | -179.5 | -175.8 | 0 | 0 | 112.2 | N440 D536 M542 E543 F544 | N440-E540 PolarHBondContact ND2-OE2 3.03Å; D536-E540 WeakPolarHBondContact O-CG 3.43Å; D536-E540 PolarHBondContact O-N 3.26Å; E540-M542 VanDerWaalsContact C-N 3.26Å; E540-M542 PolarHBondContact O-N 3.39Å; E540-E543 PolarHBondContact O-N 3.36Å; E540-E543 VanDerWaalsContact O-N 3.1Å; E540-F544 HydrophobicContact CB-CE2 4.38Å; E540-F544 WeakPolarHBondContact O-CD2 3.48Å; E540-F544 PolarHBondContact O-N 3.21Å |
| 541 | T | 85.9 | Confident | 75.7 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -39.6 | 179.4 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | H484 A487 V519 I523 Y537 I538 F544 L545 | H484-T541 WeakPolarHBondContact CA-OG1 3.43Å; H484-T541 VanDerWaalsContact CB-OG1 3.3Å; H484-T541 WeakPolarHBondContact CB-OG1 3.43Å; A487-T541 HydrophobicContact CB-CG2 3.9Å; V519-T541 HydrophobicContact CG1-CG2 3.42Å; V519-T541 VanDerWaalsContact CG1-CG2 3.42Å; I523-T541 HydrophobicContact CD1-CG2 4Å; I523-T541 HydrophobicContact CG1-CG2 4.22Å; Y537-T541 VanDerWaalsContact O-CB 3.24Å; Y537-T541 WeakPolarHBondContact O-CB 3.35Å; Y537-T541 PolarHBondContact O-N 3.03Å; Y537-T541 PolarHBondContact O-OG1 3.36Å; I538-T541 PolarHBondContact O-N 3.38Å; T541-F544 PolarHBondContact O-N 3.43Å; T541-L545 WeakPolarHBondContact O-CB 3.37Å; T541-L545 PolarHBondContact O-N 2.9Å |
| 542 | M | 84.5 | Confident | 77.7 | Confident | 39 Ų | 39 | 57.7 Ų | 57.7 | 19% | 0.192 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.8 | -42.8 | 174.4 | -78.6 | 175.3 | 47.5 | 0 | 0 | 112.6 | I523 F527 I538 A539 E540 L545 T546 P585 | I523-M542 HydrophobicContact CD1-CG 3.89Å; I523-M542 HydrophobicContact CG1-CG 4.2Å; I523-M542 HydrophobicContact CG2-CG 3.65Å; I523-M542 HydrophobicContact CG2-SD 3.97Å; F527-M542 HydrophobicContact CD2-CE 4.31Å; F527-M542 HydrophobicContact CD2-SD 3.67Å; F527-M542 HydrophobicContact CE2-CE 3.79Å; F527-M542 HydrophobicContact CE2-SD 3.73Å; I538-M542 HydrophobicContact CG2-CG 4.47Å; I538-M542 HydrophobicContact CG2-SD 4Å; I538-M542 WeakPolarHBondContact O-CB 3.27Å; I538-M542 VanDerWaalsContact O-CG 3.24Å; I538-M542 WeakPolarHBondContact O-CG 3.17Å; I538-M542 PolarHBondContact O-N 2.74Å; A539-M542 WeakPolarHBondContact O-CB 3.31Å; A539-M542 PolarHBondContact O-N 2.95Å; E540-M542 VanDerWaalsContact C-N 3.26Å; E540-M542 PolarHBondContact O-N 3.39Å; M542-L545 PolarHBondContact O-N 3.13Å; M542-T546 VanDerWaalsContact O-CB 3.3Å; M542-T546 WeakPolarHBondContact O-CB 3.43Å; M542-T546 PolarHBondContact O-N 2.89Å; M542-T546 PolarHBondContact O-OG1 3.43Å; M542-P585 HydrophobicContact CE-CB 3.3Å; M542-P585 HydrophobicContact CE-CG 3.34Å; M542-P585 HydrophobicContact CG-CB 4.31Å; M542-P585 HydrophobicContact CG-CG 3.77Å; M542-P585 HydrophobicContact SD-CB 4.04Å; M542-P585 HydrophobicContact SD-CG 3.37Å; M542-P585 WeakPolarHBondContact SD-CG 3.24Å |
| 543 | E | 85.9 | Confident | 79.5 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 34% | 0.336 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.6 | -46.6 | 177.3 | -169 | -171.2 | 157.8 | 0 | 0 | 111.2 | Y444 A539 E540 L545 T546 K547 | Y444-E543 VanDerWaalsContact CE2-OE1 3.24Å; Y444-E543 WeakPolarHBondContact CE2-OE1 3.48Å; A539-E543 PolarHBondContact O-N 3.42Å; E540-E543 PolarHBondContact O-N 3.36Å; E540-E543 VanDerWaalsContact O-N 3.1Å; E543-L545 PolarHBondContact O-N 2.66Å; E543-T546 PolarHBondContact O-N 3.17Å; E543-K547 PolarHBondContact O-N 3.18Å; E543-K547 WeakPolarHBondContact OE1-CE 3.47Å; E543-K547 IonicContact OE1-NZ 2.61Å; E543-K547 PolarHBondContact OE1-NZ 3.17Å |
| 544 | F | 91 | Very high | 81.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -45.2 | 177.6 | -71.4 | -51.6 | 0 | 0 | 0 | 112.1 | N440 C443 L447 A487 A491 E540 T541 T546 K547 A548 | N440-F544 HydrophobicContact CB-CE2 4.13Å; N440-F544 HydrophobicContact CB-CZ 4.38Å; N440-F544 WeakPolarHBondContact O-CZ 3.33Å; C443-F544 HydrophobicContact CB-CE1 4.02Å; C443-F544 HydrophobicContact CB-CZ 4.08Å; L447-F544 HydrophobicContact CD1-CD1 3.56Å; L447-F544 HydrophobicContact CD1-CE1 3.63Å; A487-F544 HydrophobicContact CB-CB 3.74Å; A491-F544 HydrophobicContact CB-CB 4.35Å; A491-F544 HydrophobicContact CB-CD1 4.2Å; E540-F544 HydrophobicContact CB-CE2 4.38Å; E540-F544 WeakPolarHBondContact O-CD2 3.48Å; E540-F544 PolarHBondContact O-N 3.21Å; T541-F544 PolarHBondContact O-N 3.43Å; F544-T546 VanDerWaalsContact C-N 3.31Å; F544-T546 PolarHBondContact O-N 3.27Å; F544-K547 PolarHBondContact O-N 3.45Å; F544-A548 WeakPolarHBondContact O-CB 3.23Å; F544-A548 PolarHBondContact O-N 2.85Å |
| 545 | L | 88.3 | Confident | 83.6 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.5 | -37.9 | 178.5 | -165.4 | 65.1 | 0 | 0 | 0 | 111.6 | I516 V519 E520 I523 T541 M542 E543 A548 G549 V586 L589 | I516-L545 HydrophobicContact CB-CD1 4.28Å; I516-L545 HydrophobicContact CG1-CD1 4.18Å; I516-L545 HydrophobicContact CG2-CD1 3.82Å; V519-L545 HydrophobicContact CB-CD1 4.49Å; V519-L545 HydrophobicContact CG1-CD1 4.26Å; V519-L545 HydrophobicContact CG1-CD2 4.15Å; E520-L545 HydrophobicContact CB-CD2 4.26Å; I523-L545 HydrophobicContact CD1-CB 4.45Å; I523-L545 HydrophobicContact CD1-CD2 3.64Å; T541-L545 WeakPolarHBondContact O-CB 3.37Å; T541-L545 PolarHBondContact O-N 2.9Å; M542-L545 PolarHBondContact O-N 3.13Å; E543-L545 PolarHBondContact O-N 2.66Å; L545-A548 PolarHBondContact O-N 2.98Å; L545-G549 PolarHBondContact O-N 3.01Å; L545-V586 HydrophobicContact CB-CG2 4.07Å; L545-V586 HydrophobicContact CD2-CG2 3.43Å; L545-V586 VanDerWaalsContact CD2-CG2 3.43Å; L545-V586 HydrophobicContact CG-CG2 3.65Å; L545-L589 HydrophobicContact CD2-CD1 4.06Å; L545-L589 HydrophobicContact CG-CD1 4.29Å |
| 546 | T | 86.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 40.5 Ų | 40.5 | 26% | 0.258 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.1 | -61.9 | 0 | 0 | 0 | 0 | 111.4 | M542 E543 F544 G549 F550 V588 | M542-T546 VanDerWaalsContact O-CB 3.3Å; M542-T546 WeakPolarHBondContact O-CB 3.43Å; M542-T546 PolarHBondContact O-N 2.89Å; M542-T546 PolarHBondContact O-OG1 3.43Å; E543-T546 PolarHBondContact O-N 3.17Å; F544-T546 VanDerWaalsContact C-N 3.31Å; F544-T546 PolarHBondContact O-N 3.27Å; T546-G549 PolarHBondContact O-N 3.32Å; T546-F550 HydrophobicContact CG2-CD2 3.87Å; T546-F550 HydrophobicContact CG2-CE2 3.48Å; T546-F550 VanDerWaalsContact CG2-CE2 3.48Å; T546-F550 HydrophobicContact CG2-CZ 4.45Å; T546-F550 WeakPolarHBondContact O-CD2 3.49Å; T546-F550 PolarHBondContact O-N 2.92Å; T546-V588 HydrophobicContact CG2-CG2 4.22Å |
| 547 | K | 88.7 | Confident | 86.2 | Confident | 45 Ų | 45 | 38.3 Ų | 38.3 | 20% | 0.196 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 175.6 | -74.7 | 179.1 | -177.3 | 163.9 | 0 | 111.9 | L447 E543 F544 G549 F550 R551 | L447-K547 HydrophobicContact CB-CD 4.31Å; L447-K547 HydrophobicContact CD1-CD 3.62Å; L447-K547 HydrophobicContact CG-CD 4.41Å; E543-K547 PolarHBondContact O-N 3.18Å; E543-K547 WeakPolarHBondContact OE1-CE 3.47Å; E543-K547 IonicContact OE1-NZ 2.61Å; E543-K547 PolarHBondContact OE1-NZ 3.17Å; F544-K547 PolarHBondContact O-N 3.45Å; K547-G549 VanDerWaalsContact C-N 3.31Å; K547-G549 PolarHBondContact O-N 3.46Å; K547-F550 PolarHBondContact O-N 2.66Å; K547-R551 WeakPolarHBondContact O-CG 3.3Å; K547-R551 PolarHBondContact O-N 3.25Å |
| 548 | A | 90.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.3 | -45.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | I490 A491 L494 F544 L545 F550 R551 L552 | I490-A548 HydrophobicContact CG2-CB 3.91Å; A491-A548 HydrophobicContact CB-CB 4.36Å; L494-A548 HydrophobicContact CD1-CB 3.94Å; F544-A548 WeakPolarHBondContact O-CB 3.23Å; F544-A548 PolarHBondContact O-N 2.85Å; L545-A548 PolarHBondContact O-N 2.98Å; A548-F550 PolarHBondContact O-N 3.1Å; A548-R551 PolarHBondContact O-N 3.08Å; A548-L552 VanDerWaalsContact O-CB 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.28Å; A548-L552 PolarHBondContact O-N 3.5Å |
| 549 | G | 87.8 | Confident | 87.2 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.2 | -46.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L545 T546 K547 R551 L552 S553 V588 L592 | L545-G549 PolarHBondContact O-N 3.01Å; T546-G549 PolarHBondContact O-N 3.32Å; K547-G549 VanDerWaalsContact C-N 3.31Å; K547-G549 PolarHBondContact O-N 3.46Å; G549-R551 PolarHBondContact O-N 3.47Å; G549-L552 PolarHBondContact O-N 2.93Å; G549-S553 WeakPolarHBondContact O-CB 3.43Å; G549-S553 PolarHBondContact O-N 3.06Å; G549-V588 VanDerWaalsContact C-CG1 3.43Å; G549-L592 WeakPolarHBondContact O-CD1 3.34Å |
| 550 | F | 88.4 | Confident | 87.4 | Confident | 116 Ų | 116 | 42.5 Ų | 42.5 | 51% | 0.509 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -63.3 | -42.5 | 178.3 | -76.8 | -57.2 | 0 | 0 | 0 | 112.4 | T546 K547 A548 S553 S554 V588 | T546-F550 HydrophobicContact CG2-CD2 3.87Å; T546-F550 HydrophobicContact CG2-CE2 3.48Å; T546-F550 VanDerWaalsContact CG2-CE2 3.48Å; T546-F550 HydrophobicContact CG2-CZ 4.45Å; T546-F550 WeakPolarHBondContact O-CD2 3.49Å; T546-F550 PolarHBondContact O-N 2.92Å; K547-F550 PolarHBondContact O-N 2.66Å; A548-F550 PolarHBondContact O-N 3.1Å; F550-S553 PolarHBondContact O-N 2.89Å; F550-S554 PolarHBondContact O-N 3.33Å; F550-V588 HydrophobicContact CD1-CG1 3.65Å; F550-V588 HydrophobicContact CD1-CG2 4Å; F550-V588 HydrophobicContact CD2-CG2 4.17Å; F550-V588 HydrophobicContact CE1-CB 4.41Å; F550-V588 HydrophobicContact CE1-CG1 3.93Å; F550-V588 HydrophobicContact CE1-CG2 3.52Å; F550-V588 HydrophobicContact CE2-CG2 3.73Å; F550-V588 HydrophobicContact CG-CG1 4.02Å; F550-V588 HydrophobicContact CG-CG2 4.3Å; F550-V588 HydrophobicContact CZ-CG2 3.38Å |
| 551 | R | 90.6 | Very high | 87.7 | Confident | 74 Ų | 74 | 46.2 Ų | 46.2 | 28% | 0.279 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -67.1 | -42.6 | 177.9 | -66.2 | -65.8 | 173.9 | -122.5 | -8.7 | 112 | L494 D498 K547 A548 G549 S553 S554 I555 | L494-R551 HydrophobicContact CB-CB 3.84Å; D498-R551 WeakPolarHBondContact OD2-CD 3.3Å; D498-R551 IonicContact OD2-NE 2.73Å; D498-R551 IonicContact OD2-NH1 3.01Å; K547-R551 WeakPolarHBondContact O-CG 3.3Å; K547-R551 PolarHBondContact O-N 3.25Å; A548-R551 PolarHBondContact O-N 3.08Å; G549-R551 PolarHBondContact O-N 3.47Å; R551-S553 VanDerWaalsContact C-N 3.28Å; R551-S553 PolarHBondContact O-N 3.33Å; R551-S554 WeakPolarHBondContact O-CB 3.25Å; R551-S554 PolarHBondContact O-N 3.45Å; R551-I555 VanDerWaalsContact O-CG1 3.28Å; R551-I555 WeakPolarHBondContact O-CG1 3.49Å; R551-I555 PolarHBondContact O-N 2.8Å |
| 552 | L | 89.5 | Confident | 87.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 174.6 | -178.6 | 57.5 | 0 | 0 | 0 | 110.8 | L494 W509 F513 I516 A548 G549 S554 I555 I556 W570 L592 | L494-L552 HydrophobicContact CD1-CB 4.24Å; W509-L552 HydrophobicContact CE3-CD1 4.49Å; W509-L552 HydrophobicContact CH2-CD1 4.03Å; W509-L552 HydrophobicContact CZ3-CD1 3.54Å; F513-L552 HydrophobicContact CD1-CD2 4.44Å; F513-L552 HydrophobicContact CE1-CD1 3.96Å; F513-L552 HydrophobicContact CE1-CD2 3.86Å; I516-L552 HydrophobicContact CD1-CD2 4.32Å; A548-L552 VanDerWaalsContact O-CB 3.27Å; A548-L552 WeakPolarHBondContact O-CB 3.28Å; A548-L552 PolarHBondContact O-N 3.5Å; G549-L552 PolarHBondContact O-N 2.93Å; L552-S554 PolarHBondContact O-N 3.23Å; L552-I555 PolarHBondContact O-N 3.39Å; L552-I556 HydrophobicContact CD1-CD1 3.54Å; L552-I556 HydrophobicContact CD1-CG1 4.08Å; L552-I556 HydrophobicContact CD2-CD1 4.45Å; L552-I556 HydrophobicContact CG-CD1 3.6Å; L552-I556 WeakPolarHBondContact O-CB 3.29Å; L552-I556 WeakPolarHBondContact O-CD1 3.43Å; L552-I556 VanDerWaalsContact O-CG1 3.24Å; L552-I556 WeakPolarHBondContact O-CG1 3.46Å; L552-I556 PolarHBondContact O-N 2.85Å; L552-W570 HydrophobicContact CD2-CZ3 3.83Å; L552-L592 HydrophobicContact CB-CD1 4.18Å; L552-L592 HydrophobicContact CB-CD2 4.16Å; L552-L592 HydrophobicContact CD2-CD1 3.82Å; L552-L592 HydrophobicContact CD2-CD2 4.11Å; L552-L592 HydrophobicContact CG-CD1 4.17Å; L552-L592 HydrophobicContact CG-CD2 3.77Å |
| 553 | S | 86 | Confident | 87.8 | Confident | 26 Ų | 26 | 48.6 Ų | 48.6 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | -179.9 | -173.8 | 0 | 0 | 0 | 0 | 111.5 | G549 F550 R551 S557 L592 | G549-S553 WeakPolarHBondContact O-CB 3.43Å; G549-S553 PolarHBondContact O-N 3.06Å; F550-S553 PolarHBondContact O-N 2.89Å; R551-S553 VanDerWaalsContact C-N 3.28Å; R551-S553 PolarHBondContact O-N 3.33Å; S553-S557 VanDerWaalsContact O-CB 3.22Å; S553-S557 WeakPolarHBondContact O-CB 3.34Å; S553-S557 PolarHBondContact O-N 3.14Å; S553-S557 PolarHBondContact O-OG 3.23Å; S553-L592 VanDerWaalsContact CA-CD2 3.47Å |
| 554 | S | 88.9 | Confident | 87.7 | Confident | 35 Ų | 35 | 49.2 Ų | 49.2 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.5 | -53.2 | 173.3 | 179.6 | 0 | 0 | 0 | 0 | 111.9 | D498 F550 R551 L552 I556 S557 N558 | D498-S554 WeakPolarHBondContact OD1-CB 3.29Å; D498-S554 PolarHBondContact OD1-OG 2.92Å; D498-S554 PolarHBondContact OD2-OG 3.37Å; F550-S554 PolarHBondContact O-N 3.33Å; R551-S554 WeakPolarHBondContact O-CB 3.25Å; R551-S554 PolarHBondContact O-N 3.45Å; L552-S554 PolarHBondContact O-N 3.23Å; S554-I556 PolarHBondContact O-N 3.46Å; S554-S557 PolarHBondContact O-N 3.44Å; S554-N558 WeakPolarHBondContact O-CB 3.33Å; S554-N558 PolarHBondContact O-N 2.95Å; S554-N558 PolarHBondContact O-ND2 3.24Å; S554-N558 VanDerWaalsContact O-ND2 3.1Å |
| 555 | I | 90.5 | Very high | 87.4 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 7% | 0.072 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -57.5 | -48.2 | -178.6 | -69.5 | 165.2 | 0 | 0 | 0 | 111.2 | L494 D498 W509 R551 L552 N558 N559 L562 | L494-I555 HydrophobicContact CD2-CD1 4.13Å; D498-I555 HydrophobicContact CB-CD1 3.92Å; D498-I555 HydrophobicContact CB-CG1 3.66Å; W509-I555 HydrophobicContact CH2-CD1 4.21Å; W509-I555 HydrophobicContact CH2-CG2 4.23Å; W509-I555 HydrophobicContact CZ2-CG2 4.3Å; R551-I555 VanDerWaalsContact O-CG1 3.28Å; R551-I555 WeakPolarHBondContact O-CG1 3.49Å; R551-I555 PolarHBondContact O-N 2.8Å; L552-I555 PolarHBondContact O-N 3.39Å; I555-N558 PolarHBondContact O-N 2.99Å; I555-N559 WeakPolarHBondContact O-CB 3.46Å; I555-N559 PolarHBondContact O-N 3.33Å; I555-L562 HydrophobicContact CG2-CD2 3.54Å |
| 556 | I | 86.5 | Confident | 87.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.6 | -42.9 | -177.1 | -67 | 161.4 | 0 | 0 | 0 | 111 | L552 S554 N558 N559 K563 L592 V595 F596 | L552-I556 HydrophobicContact CD1-CD1 3.54Å; L552-I556 HydrophobicContact CD1-CG1 4.08Å; L552-I556 HydrophobicContact CD2-CD1 4.45Å; L552-I556 HydrophobicContact CG-CD1 3.6Å; L552-I556 WeakPolarHBondContact O-CB 3.29Å; L552-I556 WeakPolarHBondContact O-CD1 3.43Å; L552-I556 VanDerWaalsContact O-CG1 3.24Å; L552-I556 WeakPolarHBondContact O-CG1 3.46Å; L552-I556 PolarHBondContact O-N 2.85Å; S554-I556 PolarHBondContact O-N 3.46Å; I556-N558 VanDerWaalsContact C-N 3.26Å; I556-N558 PolarHBondContact O-N 3.31Å; I556-N559 CarbonylContact O-C 3.58Å; I556-N559 PolarHBondContact O-N 3.16Å; I556-K563 HydrophobicContact CG2-CB 3.65Å; I556-K563 HydrophobicContact CG2-CD 3.91Å; I556-K563 HydrophobicContact CG2-CG 3.56Å; I556-L592 HydrophobicContact CD1-CD2 3.89Å; I556-V595 HydrophobicContact CG2-CG1 3.89Å; I556-F596 HydrophobicContact CD1-CD2 4.21Å; I556-F596 HydrophobicContact CD1-CE1 3.91Å; I556-F596 HydrophobicContact CD1-CE2 3.32Å; I556-F596 HydrophobicContact CD1-CZ 3.15Å; I556-F596 HydrophobicContact CG1-CE1 4.41Å; I556-F596 HydrophobicContact CG1-CZ 4.02Å; I556-F596 HydrophobicContact CG2-CE1 4.36Å |
| 557 | S | 85.8 | Confident | 87.2 | Confident | 72 Ų | 72 | 50.4 Ų | 50.4 | 50% | 0.503 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64.8 | -33.7 | -178.9 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | S553 S554 | S553-S557 VanDerWaalsContact O-CB 3.22Å; S553-S557 WeakPolarHBondContact O-CB 3.34Å; S553-S557 PolarHBondContact O-N 3.14Å; S553-S557 PolarHBondContact O-OG 3.23Å; S554-S557 PolarHBondContact O-N 3.44Å |
| 558 | N | 86.2 | Confident | 86.9 | Confident | 131 Ų | 131 | 53 Ų | 53 | 70% | 0.701 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -86.4 | -9.1 | 179.8 | -66.8 | -33 | 0 | 0 | 0 | 113.9 | S554 I555 I556 | S554-N558 WeakPolarHBondContact O-CB 3.33Å; S554-N558 PolarHBondContact O-N 2.95Å; S554-N558 PolarHBondContact O-ND2 3.24Å; S554-N558 VanDerWaalsContact O-ND2 3.1Å; I555-N558 PolarHBondContact O-N 2.99Å; I556-N558 VanDerWaalsContact C-N 3.26Å; I556-N558 PolarHBondContact O-N 3.31Å |
| 559 | N | 87.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 54 Ų | 54 | 38% | 0.38 | 31% | 0.305 | S | S | . | . | trans | -135 | 88.5 | -176.8 | -168.9 | -25.9 | 0 | 0 | 0 | 112.2 | I555 I556 H561 L562 K563 | I555-N559 WeakPolarHBondContact O-CB 3.46Å; I555-N559 PolarHBondContact O-N 3.33Å; I556-N559 CarbonylContact O-C 3.58Å; I556-N559 PolarHBondContact O-N 3.16Å; N559-H561 VanDerWaalsContact C-N 3.27Å; N559-H561 PolarHBondContact O-N 2.95Å; N559-H561 PolarHBondContact OD1-N 3.11Å; N559-L562 HydrophobicContact CB-CB 3.84Å; N559-L562 HydrophobicContact CB-CD2 4.5Å; N559-L562 PolarHBondContact O-N 3.01Å; N559-L562 WeakPolarHBondContact OD1-CB 3.41Å; N559-L562 PolarHBondContact OD1-N 3.4Å; N559-K563 WeakPolarHBondContact O-CB 3.36Å; N559-K563 PolarHBondContact O-N 3.11Å | ||
| 560 | A | 85.2 | Confident | 86.3 | Confident | 80 Ų | 80 | 54 Ų | 54 | 66% | 0.661 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -59 | -33.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | S564 | A560-S564 PolarHBondContact O-N 3.42Å |
| 561 | H | 87.1 | Confident | 86 | Confident | 145 Ų | 145 | 50.9 Ų | 50.9 | 67% | 0.671 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -70.1 | -45.3 | 177.8 | 179.9 | 49.3 | 0 | 0 | 0 | 111.5 | N559 S564 T565 | N559-H561 VanDerWaalsContact C-N 3.27Å; N559-H561 PolarHBondContact O-N 2.95Å; N559-H561 PolarHBondContact OD1-N 3.11Å; H561-S564 PolarHBondContact O-N 3.37Å; H561-T565 PolarHBondContact O-N 3.11Å; H561-T565 PolarHBondContact O-OG1 3.17Å |
| 562 | L | 86.6 | Confident | 85.5 | Confident | 32 Ų | 32 | 54.8 Ų | 54.8 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.5 | -42.7 | 175.1 | -173.4 | 65.5 | 0 | 0 | 0 | 110.9 | W509 I555 N559 S564 T565 L566 | W509-L562 HydrophobicContact CZ2-CD2 4.05Å; I555-L562 HydrophobicContact CG2-CD2 3.54Å; N559-L562 HydrophobicContact CB-CB 3.84Å; N559-L562 HydrophobicContact CB-CD2 4.5Å; N559-L562 PolarHBondContact O-N 3.01Å; N559-L562 WeakPolarHBondContact OD1-CB 3.41Å; N559-L562 PolarHBondContact OD1-N 3.4Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 3.36Å; L562-T565 PolarHBondContact O-N 3.45Å; L562-T565 VanDerWaalsContact O-N 3.08Å; L562-L566 HydrophobicContact CD1-CD1 3.75Å; L562-L566 HydrophobicContact CD1-CD2 4.42Å; L562-L566 HydrophobicContact CD1-CG 3.86Å; L562-L566 HydrophobicContact CD2-CD1 4.23Å; L562-L566 HydrophobicContact CG-CD1 3.67Å; L562-L566 HydrophobicContact CG-CG 4.06Å; L562-L566 WeakPolarHBondContact O-CB 3.44Å; L562-L566 WeakPolarHBondContact O-CG 3.5Å; L562-L566 PolarHBondContact O-N 3.43Å |
| 563 | K | 85.3 | Confident | 85 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 24% | 0.243 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -51.5 | -52.2 | 172.3 | 179.1 | 177.2 | -179.3 | 175.3 | 0 | 111.6 | I556 N559 T565 L566 C567 V595 | I556-K563 HydrophobicContact CG2-CB 3.65Å; I556-K563 HydrophobicContact CG2-CD 3.91Å; I556-K563 HydrophobicContact CG2-CG 3.56Å; N559-K563 WeakPolarHBondContact O-CB 3.36Å; N559-K563 PolarHBondContact O-N 3.11Å; K563-T565 VanDerWaalsContact C-N 3.28Å; K563-T565 PolarHBondContact O-N 2.75Å; K563-L566 PolarHBondContact O-N 3.33Å; K563-C567 VanDerWaalsContact O-CB 3.25Å; K563-C567 WeakPolarHBondContact O-CB 3.2Å; K563-C567 PolarHBondContact O-N 2.88Å; K563-V595 WeakPolarHBondContact CE-O 3.34Å; K563-V595 PolarHBondContact NZ-O 3.13Å |
| 564 | S | 85 | Confident | 84.4 | Confident | 85 Ų | 85 | 56.9 Ų | 56.9 | 59% | 0.594 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -61.5 | -37.1 | 178.7 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | A560 H561 L562 | A560-S564 PolarHBondContact O-N 3.42Å; H561-S564 PolarHBondContact O-N 3.37Å; L562-S564 VanDerWaalsContact C-N 3.35Å; L562-S564 PolarHBondContact O-N 3.36Å |
| 565 | T | 85.2 | Confident | 83.4 | Confident | 46 Ų | 46 | 57.3 Ų | 57.3 | 28% | 0.282 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.3 | -42 | -178.4 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | I506 H561 L562 K563 | I506-T565 HydrophobicContact CD1-CG2 4.04Å; I506-T565 HydrophobicContact CG1-CG2 4.45Å; H561-T565 PolarHBondContact O-N 3.11Å; H561-T565 PolarHBondContact O-OG1 3.17Å; L562-T565 PolarHBondContact O-N 3.45Å; L562-T565 VanDerWaalsContact O-N 3.08Å; K563-T565 VanDerWaalsContact C-N 3.28Å; K563-T565 PolarHBondContact O-N 2.75Å |
| 566 | L | 86.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -84 | -19.5 | -177.1 | -64.2 | -174.8 | 0 | 0 | 0 | 113.4 | W509 F513 L562 K563 T568 E569 W570 F596 | W509-L566 HydrophobicContact CB-CD2 3.58Å; W509-L566 HydrophobicContact CD2-CD1 3.53Å; W509-L566 HydrophobicContact CD2-CD2 4.08Å; W509-L566 HydrophobicContact CD2-CG 4.47Å; W509-L566 HydrophobicContact CE3-CD1 3.82Å; W509-L566 HydrophobicContact CG-CD1 3.92Å; W509-L566 HydrophobicContact CG-CD2 3.53Å; W509-L566 HydrophobicContact CG-CG 4.38Å; W509-L566 HydrophobicContact CH2-CD1 4.38Å; W509-L566 HydrophobicContact CZ2-CD1 4.12Å; W509-L566 HydrophobicContact CZ3-CD1 4.25Å; F513-L566 HydrophobicContact CE2-CB 4.05Å; F513-L566 HydrophobicContact CE2-CD2 4.41Å; F513-L566 HydrophobicContact CZ-CB 4.07Å; F513-L566 HydrophobicContact CZ-CD1 4.04Å; F513-L566 HydrophobicContact CZ-CG 4.46Å; L562-L566 HydrophobicContact CD1-CD1 3.75Å; L562-L566 HydrophobicContact CD1-CD2 4.42Å; L562-L566 HydrophobicContact CD1-CG 3.86Å; L562-L566 HydrophobicContact CD2-CD1 4.23Å; L562-L566 HydrophobicContact CG-CD1 3.67Å; L562-L566 HydrophobicContact CG-CG 4.06Å; L562-L566 WeakPolarHBondContact O-CB 3.44Å; L562-L566 WeakPolarHBondContact O-CG 3.5Å; L562-L566 PolarHBondContact O-N 3.43Å; K563-L566 PolarHBondContact O-N 3.33Å; L566-T568 VanDerWaalsContact C-N 3.33Å; L566-T568 PolarHBondContact O-N 2.92Å; L566-E569 CarbonylContact O-C 3.58Å; L566-E569 PolarHBondContact O-N 2.74Å; L566-W570 WeakPolarHBondContact O-CB 3.45Å; L566-W570 PolarHBondContact O-N 3.28Å; L566-F596 HydrophobicContact CB-CE1 3.98Å; L566-F596 HydrophobicContact CB-CZ 4.25Å |
| 567 | C | 83 | Confident | 80.1 | Confident | 29 Ų | 29 | 70 Ų | 70 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54.6 | -47 | 179.3 | -178.4 | 0 | 0 | 0 | 0 | 112 | K563 E569 W570 L571 F596 | K563-C567 VanDerWaalsContact O-CB 3.25Å; K563-C567 WeakPolarHBondContact O-CB 3.2Å; K563-C567 PolarHBondContact O-N 2.88Å; C567-E569 VanDerWaalsContact C-N 3.3Å; C567-E569 PolarHBondContact O-N 3.26Å; C567-W570 PolarHBondContact O-N 3.02Å; C567-L571 WeakPolarHBondContact O-CB 3.5Å; C567-L571 VanDerWaalsContact O-CG 3.32Å; C567-L571 WeakPolarHBondContact O-CG 3.43Å; C567-L571 PolarHBondContact O-N 3.31Å; C567-F596 HydrophobicContact CB-CD1 4Å; C567-F596 HydrophobicContact CB-CE1 4.49Å |
| 568 | T | 83 | Confident | 78.4 | Confident | 101 Ų | 101 | 71.6 Ų | 71.6 | 62% | 0.62 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -61.7 | -38.5 | 176.5 | -52.1 | 0 | 0 | 0 | 0 | 112.3 | L566 R572 | L566-T568 VanDerWaalsContact C-N 3.33Å; L566-T568 PolarHBondContact O-N 2.92Å; T568-R572 WeakPolarHBondContact O-CB 3.48Å; T568-R572 PolarHBondContact O-N 3.05Å; T568-R572 VanDerWaalsContact O-N 3.17Å |
| 569 | E | 84 | Confident | 76.2 | Confident | 20 Ų | 20 | 69.9 Ų | 69.9 | 9% | 0.093 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -72.6 | -37 | 179 | -62.3 | -61.2 | 164.7 | 0 | 0 | 111.9 | R510 F513 L566 C567 R572 | R510-E569 HydrophobicContact CG-CG 4.11Å; R510-E569 VanDerWaalsContact CG-OE2 3.26Å; R510-E569 WeakPolarHBondContact CG-OE2 3.47Å; R510-E569 IonicContact CZ-OE1 3.26Å; R510-E569 IonicContact NE-OE1 2.67Å; R510-E569 PolarHBondContact NE-OE1 3.35Å; R510-E569 IonicContact NE-OE2 3.47Å; R510-E569 PolarHBondContact NE-OE2 3.43Å; R510-E569 IonicContact NH2-OE1 3.29Å; R510-E569 PolarHBondContact NH2-OE1 3.11Å; F513-E569 HydrophobicContact CD2-CB 4.09Å; F513-E569 HydrophobicContact CE2-CB 4.1Å; L566-E569 CarbonylContact O-C 3.58Å; L566-E569 PolarHBondContact O-N 2.74Å; C567-E569 VanDerWaalsContact C-N 3.3Å; C567-E569 PolarHBondContact O-N 3.26Å; E569-R572 WeakPolarHBondContact O-CB 3.39Å; E569-R572 PolarHBondContact O-N 3.22Å; E569-R572 IonicContact OE2-CZ 3.2Å; E569-R572 VanDerWaalsContact OE2-CZ 3.29Å; E569-R572 IonicContact OE2-NE 3.29Å; E569-R572 PolarHBondContact OE2-NE 3.18Å; E569-R572 IonicContact OE2-NH1 2.85Å; E569-R572 IonicContact OE2-NH2 2.71Å; E569-R572 PolarHBondContact OE2-NH2 3.02Å |
| 570 | W | 82.6 | Confident | 74.2 | Confident | 1 Ų | 1 | 70 Ų | 70 | 0% | 0.004 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63 | -51.3 | 173.6 | 178.7 | -91.1 | 0 | 0 | 0 | 110.9 | F513 L552 L566 C567 R572 V573 Y574 L589 L592 F596 | F513-W570 AromaticContact CD1-CE3 3.9Å; F513-W570 HydrophobicContact CD1-CE3 3.9Å; F513-W570 HydrophobicContact CD1-CZ3 4.16Å; F513-W570 HydrophobicContact CD2-CB 4.38Å; F513-W570 HydrophobicContact CD2-CE3 4.37Å; F513-W570 AromaticContact CE1-CE3 3.91Å; F513-W570 HydrophobicContact CE1-CE3 3.91Å; F513-W570 HydrophobicContact CE1-CZ3 4.28Å; F513-W570 HydrophobicContact CE2-CB 4.09Å; F513-W570 HydrophobicContact CE2-CE3 4.36Å; F513-W570 HydrophobicContact CG-CE3 4.15Å; F513-W570 HydrophobicContact CZ-CE3 4.15Å; L552-W570 HydrophobicContact CD2-CZ3 3.83Å; L566-W570 WeakPolarHBondContact O-CB 3.45Å; L566-W570 PolarHBondContact O-N 3.28Å; C567-W570 PolarHBondContact O-N 3.02Å; W570-R572 PolarHBondContact O-N 3.43Å; W570-V573 PolarHBondContact O-N 3.26Å; W570-Y574 AromaticContact CD2-CD2 3.69Å; W570-Y574 HydrophobicContact CD2-CD2 3.69Å; W570-Y574 HydrophobicContact CD2-CE2 4.22Å; W570-Y574 AromaticContact CE2-CD2 3.52Å; W570-Y574 AromaticContact CE2-CG 4Å; W570-Y574 AromaticContact CE3-CD2 3.9Å; W570-Y574 HydrophobicContact CE3-CD2 3.9Å; W570-Y574 AromaticContact CE3-CE2 3.95Å; W570-Y574 HydrophobicContact CE3-CE2 3.95Å; W570-Y574 HydrophobicContact CG-CD2 4.35Å; W570-Y574 AromaticContact CH2-CD2 3.85Å; W570-Y574 HydrophobicContact CH2-CD2 3.85Å; W570-Y574 AromaticContact CH2-CE2 3.57Å; W570-Y574 HydrophobicContact CH2-CE2 3.57Å; W570-Y574 AromaticContact CZ2-CD2 3.62Å; W570-Y574 HydrophobicContact CZ2-CD2 3.62Å; W570-Y574 AromaticContact CZ2-CE2 3.84Å; W570-Y574 HydrophobicContact CZ2-CE2 3.84Å; W570-Y574 HydrophobicContact CZ2-CG 4.03Å; W570-Y574 AromaticContact CZ3-CD2 3.98Å; W570-Y574 HydrophobicContact CZ3-CD2 3.98Å; W570-Y574 AromaticContact CZ3-CE2 3.63Å; W570-Y574 HydrophobicContact CZ3-CE2 3.63Å; W570-Y574 PolarHBondContact O-N 2.8Å; W570-L589 HydrophobicContact CH2-CD2 4.31Å; W570-L592 HydrophobicContact CH2-CB 4.11Å; W570-L592 HydrophobicContact CH2-CD1 4.43Å; W570-L592 HydrophobicContact CZ2-CB 4.17Å; W570-F596 HydrophobicContact CB-CD1 4.22Å; W570-F596 HydrophobicContact CB-CD2 4.02Å; W570-F596 HydrophobicContact CB-CE1 4.07Å; W570-F596 HydrophobicContact CB-CE2 3.86Å; W570-F596 HydrophobicContact CB-CG 4.18Å; W570-F596 HydrophobicContact CB-CZ 3.86Å; W570-F596 AromaticContact CD1-CD2 3.65Å; W570-F596 AromaticContact CD1-CG 3.91Å; W570-F596 AromaticContact CD2-CD2 3.43Å; W570-F596 HydrophobicContact CD2-CD2 3.43Å; W570-F596 VanDerWaalsContact CD2-CD2 3.43Å; W570-F596 AromaticContact CD2-CE2 3.32Å; W570-F596 HydrophobicContact CD2-CE2 3.32Å; W570-F596 HydrophobicContact CD2-CG 4.35Å; W570-F596 HydrophobicContact CD2-CZ 4.17Å; W570-F596 AromaticContact CE2-CD2 3.68Å; W570-F596 AromaticContact CE2-CE2 3.97Å; W570-F596 HydrophobicContact CE3-CD2 4Å; W570-F596 AromaticContact CE3-CE2 3.4Å; W570-F596 HydrophobicContact CE3-CE2 3.4Å; W570-F596 VanDerWaalsContact CE3-CE2 3.4Å; W570-F596 HydrophobicContact CE3-CZ 4.15Å; W570-F596 HydrophobicContact CG-CB 4.48Å; W570-F596 HydrophobicContact CG-CD1 4.4Å; W570-F596 AromaticContact CG-CD2 3.41Å; W570-F596 HydrophobicContact CG-CD2 3.41Å; W570-F596 VanDerWaalsContact CG-CD2 3.41Å; W570-F596 HydrophobicContact CG-CE1 4.5Å; W570-F596 AromaticContact CG-CE2 3.53Å; W570-F596 HydrophobicContact CG-CE2 3.53Å; W570-F596 AromaticContact CG-CG 3.87Å; W570-F596 HydrophobicContact CG-CG 3.87Å; W570-F596 HydrophobicContact CG-CZ 4.07Å; W570-F596 HydrophobicContact CZ2-CD2 4.41Å; W570-F596 HydrophobicContact CZ3-CE2 4.1Å; W570-F596 AromaticContact NE1-CD2 3.79Å |
| 571 | L | 80.1 | Confident | 71.9 | Confident | 51 Ų | 51 | 74.6 Ų | 74.6 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.8 | -23.5 | 179.4 | -69.9 | 175.1 | 0 | 0 | 0 | 113.4 | C567 V573 Y574 E576 L597 | C567-L571 WeakPolarHBondContact O-CB 3.5Å; C567-L571 VanDerWaalsContact O-CG 3.32Å; C567-L571 WeakPolarHBondContact O-CG 3.43Å; C567-L571 PolarHBondContact O-N 3.31Å; L571-V573 VanDerWaalsContact C-N 3.32Å; L571-Y574 CarbonylContact C-O 3.56Å; L571-Y574 WeakPolarHBondContact CA-O 3Å; L571-Y574 CarbonylContact O-C 3.56Å; L571-E576 HydrophobicContact CD2-CG 3.95Å; L571-L597 HydrophobicContact CD2-CD2 4.04Å |
| 572 | R | 80.7 | Confident | 69.5 | Low | 156 Ų | 156 | 69.5 Ų | 69.5 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.8 | -31.4 | 172.9 | -171.7 | -177 | 68 | 153 | 5.3 | 112.2 | T568 E569 W570 | T568-R572 WeakPolarHBondContact O-CB 3.48Å; T568-R572 PolarHBondContact O-N 3.05Å; T568-R572 VanDerWaalsContact O-N 3.17Å; E569-R572 WeakPolarHBondContact O-CB 3.39Å; E569-R572 PolarHBondContact O-N 3.22Å; E569-R572 IonicContact OE2-CZ 3.2Å; E569-R572 VanDerWaalsContact OE2-CZ 3.29Å; E569-R572 IonicContact OE2-NE 3.29Å; E569-R572 PolarHBondContact OE2-NE 3.18Å; E569-R572 IonicContact OE2-NH1 2.85Å; E569-R572 IonicContact OE2-NH2 2.71Å; E569-R572 PolarHBondContact OE2-NH2 3.02Å; W570-R572 PolarHBondContact O-N 3.43Å |
| 573 | V | 79.3 | Confident | 67.4 | Low | 39 Ų | 39 | 73.4 Ų | 73.4 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -92.3 | -42.6 | -179.4 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | F513 A517 W570 L571 | F513-V573 HydrophobicContact CB-CB 4.48Å; F513-V573 HydrophobicContact CB-CG2 3.95Å; A517-V573 HydrophobicContact CB-CG1 3.46Å; A517-V573 VanDerWaalsContact CB-CG1 3.46Å; W570-V573 PolarHBondContact O-N 3.26Å; L571-V573 VanDerWaalsContact C-N 3.32Å |
| 574 | Y | 74.5 | Confident | 65.4 | Low | 31 Ų | 31 | 74.4 Ų | 74.4 | 12% | 0.122 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -111.6 | 96.8 | 178.6 | -63.3 | -83.4 | 0 | 0 | 0 | 108.4 | I516 A517 E520 W570 L571 | I516-Y574 WeakPolarHBondContact CG2-OH 3.5Å; A517-Y574 WeakPolarHBondContact CA-OH 3.46Å; A517-Y574 HydrophobicContact CB-CE1 4.14Å; A517-Y574 HydrophobicContact CB-CE2 4.31Å; A517-Y574 WeakPolarHBondContact CB-OH 3.2Å; A517-Y574 PolarHBondContact N-OH 3.21Å; A517-Y574 VanDerWaalsContact N-OH 3.13Å; E520-Y574 WeakPolarHBondContact OE2-CE1 3.29Å; W570-Y574 AromaticContact CD2-CD2 3.69Å; W570-Y574 HydrophobicContact CD2-CD2 3.69Å; W570-Y574 HydrophobicContact CD2-CE2 4.22Å; W570-Y574 AromaticContact CE2-CD2 3.52Å; W570-Y574 AromaticContact CE2-CG 4Å; W570-Y574 AromaticContact CE3-CD2 3.9Å; W570-Y574 HydrophobicContact CE3-CD2 3.9Å; W570-Y574 AromaticContact CE3-CE2 3.95Å; W570-Y574 HydrophobicContact CE3-CE2 3.95Å; W570-Y574 HydrophobicContact CG-CD2 4.35Å; W570-Y574 AromaticContact CH2-CD2 3.85Å; W570-Y574 HydrophobicContact CH2-CD2 3.85Å; W570-Y574 AromaticContact CH2-CE2 3.57Å; W570-Y574 HydrophobicContact CH2-CE2 3.57Å; W570-Y574 AromaticContact CZ2-CD2 3.62Å; W570-Y574 HydrophobicContact CZ2-CD2 3.62Å; W570-Y574 AromaticContact CZ2-CE2 3.84Å; W570-Y574 HydrophobicContact CZ2-CE2 3.84Å; W570-Y574 HydrophobicContact CZ2-CG 4.03Å; W570-Y574 AromaticContact CZ3-CD2 3.98Å; W570-Y574 HydrophobicContact CZ3-CD2 3.98Å; W570-Y574 AromaticContact CZ3-CE2 3.63Å; W570-Y574 HydrophobicContact CZ3-CE2 3.63Å; W570-Y574 PolarHBondContact O-N 2.8Å; L571-Y574 CarbonylContact C-O 3.56Å; L571-Y574 WeakPolarHBondContact CA-O 3Å; L571-Y574 CarbonylContact O-C 3.56Å |
| 575 | S | 66.5 | Low | 63.4 | Low | 44 Ų | 44 | 71.1 Ų | 71.1 | 31% | 0.308 | 41% | 0.41 | S | S | . | . | trans | -65 | 148.8 | 177.5 | 76.4 | 0 | 0 | 0 | 0 | 110.3 | N577 D578 | S575-N577 PolarHBondContact O-N 3.11Å; S575-D578 WeakPolarHBondContact CB-OD2 3.12Å; S575-D578 PolarHBondContact O-N 2.95Å; S575-D578 WeakPolarHBondContact OG-CB 3.3Å; S575-D578 PolarHBondContact OG-N 3.41Å; S575-D578 VanDerWaalsContact OG-N 3.08Å; S575-D578 PolarHBondContact OG-OD2 3.33Å | ||
| 576 | E | 56.7 | Low | 61.9 | Low | 136 Ų | 136 | 69.5 Ų | 69.5 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -23.9 | 176.2 | -66.3 | -177.5 | 168.6 | 0 | 0 | 112.6 | L571 L597 | L571-E576 HydrophobicContact CD2-CG 3.95Å; E576-L597 HydrophobicContact CG-CD2 4.37Å |
| 577 | N | 51.8 | Low | 60.7 | Low | 145 Ų | 145 | 72.6 Ų | 72.6 | 78% | 0.775 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -9 | -177.9 | -67.7 | -29.9 | 0 | 0 | 0 | 113.8 | S575 S579 | S575-N577 PolarHBondContact O-N 3.11Å; N577-S579 PolarHBondContact O-N 3.24Å |
| 578 | D | 49.3 | Very low | 59.8 | Low | 104 Ų | 104 | 71.8 Ų | 71.8 | 56% | 0.556 | 42% | 0.42 | S | S | * | . | trans | -78.2 | 58.5 | 170.4 | -75.8 | -45 | 0 | 0 | 0 | 109.4 | S575 S580 | S575-D578 WeakPolarHBondContact CB-OD2 3.12Å; S575-D578 PolarHBondContact O-N 2.95Å; S575-D578 WeakPolarHBondContact OG-CB 3.3Å; S575-D578 PolarHBondContact OG-N 3.41Å; S575-D578 VanDerWaalsContact OG-N 3.08Å; S575-D578 PolarHBondContact OG-OD2 3.33Å; D578-S580 PolarHBondContact O-N 3.05Å | ||
| 579 | S | 41.5 | Very low | 59 | Low | 96 Ų | 96 | 67.3 Ų | 67.3 | 67% | 0.671 | 39% | 0.392 | S | S | * | . | trans | -67.5 | 72.3 | 154.7 | 61.2 | 0 | 0 | 0 | 0 | 107.2 | N577 I581 | N577-S579 PolarHBondContact O-N 3.24Å; S579-I581 PolarHBondContact O-N 3.21Å | ||
| 580 | S | 43.3 | Very low | 58.3 | Low | 73 Ų | 73 | 71.4 Ų | 71.4 | 51% | 0.51 | 41% | 0.409 | S | S | . | . | trans | -60.8 | 112.4 | 173.6 | 63.3 | 0 | 0 | 0 | 0 | 107.8 | D578 G582 | D578-S580 PolarHBondContact O-N 3.05Å; S580-G582 VanDerWaalsContact C-N 3.34Å; S580-G582 PolarHBondContact O-N 3.19Å | ||
| 581 | I | 37.1 | Very low | 57.6 | Low | 176 Ų | 176 | 75.8 Ų | 75.8 | 90% | 0.903 | 43% | 0.433 | S | S | * | . | trans | -65.2 | 94 | 174.5 | -64.3 | 154.9 | 0 | 0 | 0 | 106 | S579 | S579-I581 PolarHBondContact O-N 3.21Š| ||
| 582 | G | 38.3 | Very low | 57.1 | Low | 38 Ų | 38 | 73.3 Ų | 73.3 | 39% | 0.392 | 42% | 0.42 | S | S | . | . | trans | -163 | 112.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | S580 K590 | S580-G582 VanDerWaalsContact C-N 3.34Å; S580-G582 PolarHBondContact O-N 3.19Å; G582-K590 PolarHBondContact O-NZ 3.35Å | ||
| 583 | S | 41 | Very low | 56.6 | Low | 115 Ų | 115 | 68 Ų | 68 | 80% | 0.804 | 40% | 0.403 | S | S | * | . | trans | -45.1 | 132.7 | 157.4 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 584 | S | 43.1 | Very low | 56.2 | Low | 76 Ų | 76 | 70 Ų | 70 | 53% | 0.531 | 41% | 0.41 | S | S | . | . | trans | 2.9 | 133.2 | 165.5 | 179.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 585 | P | 43.5 | Very low | 56.1 | Low | 17 Ų | 17 | 69.4 Ų | 69.4 | 11% | 0.11 | 41% | 0.41 | C | S | . | . | S | Bend | cis | -145.1 | 99.8 | 48.6 | 33.8 | -11.6 | 0 | 0 | 0 | 114.4 | I523 F527 M542 | I523-P585 HydrophobicContact CG2-CG 3.5Å; I523-P585 VanDerWaalsContact CG2-CG 3.5Å; F527-P585 HydrophobicContact CD2-CG 3.85Å; F527-P585 HydrophobicContact CE2-CG 4.02Å; F527-P585 HydrophobicContact CG-CG 4.42Å; M542-P585 HydrophobicContact CE-CB 3.3Å; M542-P585 HydrophobicContact CE-CG 3.34Å; M542-P585 HydrophobicContact CG-CB 4.31Å; M542-P585 HydrophobicContact CG-CG 3.77Å; M542-P585 HydrophobicContact SD-CB 4.04Å; M542-P585 HydrophobicContact SD-CG 3.37Å; M542-P585 WeakPolarHBondContact SD-CG 3.24Å |
| 586 | V | 54 | Low | 56.4 | Low | 11 Ų | 11 | 67.7 Ų | 67.7 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | -161.5 | 94 | 115.9 | -172.4 | 0 | 0 | 0 | 0 | 106.8 | L545 V588 L589 | L545-V586 HydrophobicContact CB-CG2 4.07Å; L545-V586 HydrophobicContact CD2-CG2 3.43Å; L545-V586 VanDerWaalsContact CD2-CG2 3.43Å; L545-V586 HydrophobicContact CG-CG2 3.65Å; V586-V588 HydrophobicContact CG1-CB 3.65Å; V586-V588 HydrophobicContact CG1-CG2 4.06Å; V586-V588 PolarHBondContact O-N 2.98Å; V586-V588 VanDerWaalsContact O-N 3.13Å; V586-L589 HydrophobicContact CB-CB 4.12Å; V586-L589 HydrophobicContact CB-CD1 3.83Å; V586-L589 HydrophobicContact CB-CG 3.69Å; V586-L589 HydrophobicContact CG1-CB 4.28Å; V586-L589 HydrophobicContact CG1-CD1 4.37Å; V586-L589 HydrophobicContact CG1-CG 3.75Å; V586-L589 HydrophobicContact CG2-CD1 3.93Å; V586-L589 HydrophobicContact CG2-CG 4.21Å; V586-L589 PolarHBondContact O-N 2.99Å | |||
| 587 | A | 62.2 | Low | 57.1 | Low | 66 Ų | 66 | 64 Ų | 64 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -53.7 | -32.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L589 K590 D591 | A587-L589 VanDerWaalsContact C-N 3.31Å; A587-L589 PolarHBondContact O-N 3.35Å; A587-K590 WeakPolarHBondContact O-CB 3.48Å; A587-K590 PolarHBondContact O-N 3.33Å; A587-K590 VanDerWaalsContact O-N 3.09Å; A587-D591 PolarHBondContact O-N 3.43Å |
| 588 | V | 62.5 | Low | 57.7 | Low | 12 Ų | 12 | 59.3 Ų | 59.3 | 7% | 0.073 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61 | -31.8 | 176.5 | -164.5 | 0 | 0 | 0 | 0 | 113.6 | T546 G549 F550 V586 D591 L592 | T546-V588 HydrophobicContact CG2-CG2 4.22Å; G549-V588 VanDerWaalsContact C-CG1 3.43Å; F550-V588 HydrophobicContact CD1-CG1 3.65Å; F550-V588 HydrophobicContact CD1-CG2 4Å; F550-V588 HydrophobicContact CD2-CG2 4.17Å; F550-V588 HydrophobicContact CE1-CB 4.41Å; F550-V588 HydrophobicContact CE1-CG1 3.93Å; F550-V588 HydrophobicContact CE1-CG2 3.52Å; F550-V588 HydrophobicContact CE2-CG2 3.73Å; F550-V588 HydrophobicContact CG-CG1 4.02Å; F550-V588 HydrophobicContact CG-CG2 4.3Å; F550-V588 HydrophobicContact CZ-CG2 3.38Å; V586-V588 HydrophobicContact CG1-CB 3.65Å; V586-V588 HydrophobicContact CG1-CG2 4.06Å; V586-V588 PolarHBondContact O-N 2.98Å; V586-V588 VanDerWaalsContact O-N 3.13Å; V588-D591 PolarHBondContact O-N 3.15Å; V588-L592 WeakPolarHBondContact O-CB 2.97Å; V588-L592 WeakPolarHBondContact O-CG 3.48Å; V588-L592 PolarHBondContact O-N 3.24Å |
| 589 | L | 68 | Low | 58.2 | Low | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.037 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -71.7 | -32.8 | 176.1 | -69.8 | 178.4 | 0 | 0 | 0 | 111.5 | I516 E520 L545 W570 V586 A587 L592 L593 | I516-L589 HydrophobicContact CG2-CD1 3.92Å; I516-L589 HydrophobicContact CG2-CD2 3.63Å; I516-L589 HydrophobicContact CG2-CG 4.46Å; E520-L589 HydrophobicContact CB-CD1 4.24Å; E520-L589 HydrophobicContact CG-CD1 4.12Å; L545-L589 HydrophobicContact CD2-CD1 4.06Å; L545-L589 HydrophobicContact CG-CD1 4.29Å; W570-L589 HydrophobicContact CH2-CD2 4.31Å; V586-L589 HydrophobicContact CB-CB 4.12Å; V586-L589 HydrophobicContact CB-CD1 3.83Å; V586-L589 HydrophobicContact CB-CG 3.69Å; V586-L589 HydrophobicContact CG1-CB 4.28Å; V586-L589 HydrophobicContact CG1-CD1 4.37Å; V586-L589 HydrophobicContact CG1-CG 3.75Å; V586-L589 HydrophobicContact CG2-CD1 3.93Å; V586-L589 HydrophobicContact CG2-CG 4.21Å; V586-L589 PolarHBondContact O-N 2.99Å; A587-L589 VanDerWaalsContact C-N 3.31Å; A587-L589 PolarHBondContact O-N 3.35Å; L589-L592 HydrophobicContact CD2-CD1 3.8Å; L589-L592 WeakPolarHBondContact O-CB 3.33Å; L589-L592 PolarHBondContact O-N 2.92Å; L589-L593 PolarHBondContact O-N 3.11Å; L589-L593 VanDerWaalsContact O-N 3.09Å |
| 590 | K | 68.1 | Low | 58.5 | Low | 105 Ų | 105 | 58.9 Ų | 58.9 | 46% | 0.457 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -68.2 | -42.8 | 171.6 | -66.9 | -178.2 | 179 | 175.1 | 0 | 110.9 | G582 A587 L592 L593 M594 | G582-K590 PolarHBondContact O-NZ 3.35Å; A587-K590 WeakPolarHBondContact O-CB 3.48Å; A587-K590 PolarHBondContact O-N 3.33Å; A587-K590 VanDerWaalsContact O-N 3.09Å; K590-L592 VanDerWaalsContact C-N 3.26Å; K590-L592 PolarHBondContact O-N 2.79Å; K590-L593 WeakPolarHBondContact O-CB 3.47Å; K590-L593 PolarHBondContact O-N 3.44Å; K590-M594 WeakPolarHBondContact O-CG 3.41Å; K590-M594 PolarHBondContact O-N 3.18Å; K590-M594 VanDerWaalsContact O-N 3.15Å |
| 591 | D | 68.7 | Low | 58.2 | Low | 93 Ų | 93 | 62.6 Ų | 62.6 | 50% | 0.497 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 174.4 | -63 | -25.3 | 0 | 0 | 0 | 111.3 | A587 V588 M594 V595 | A587-D591 PolarHBondContact O-N 3.43Å; V588-D591 PolarHBondContact O-N 3.15Å; D591-M594 WeakPolarHBondContact O-CB 3.17Å; D591-M594 PolarHBondContact O-N 3.39Å; D591-V595 WeakPolarHBondContact O-CG2 3.44Å; D591-V595 PolarHBondContact O-N 3.03Å |
| 592 | L | 68.4 | Low | 59.3 | Low | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 173.9 | -86.4 | 164.3 | 0 | 0 | 0 | 113.3 | G549 L552 S553 I556 W570 V588 L589 K590 M594 V595 F596 | G549-L592 WeakPolarHBondContact O-CD1 3.34Å; L552-L592 HydrophobicContact CB-CD1 4.18Å; L552-L592 HydrophobicContact CB-CD2 4.16Å; L552-L592 HydrophobicContact CD2-CD1 3.82Å; L552-L592 HydrophobicContact CD2-CD2 4.11Å; L552-L592 HydrophobicContact CG-CD1 4.17Å; L552-L592 HydrophobicContact CG-CD2 3.77Å; S553-L592 VanDerWaalsContact CA-CD2 3.47Å; I556-L592 HydrophobicContact CD1-CD2 3.89Å; W570-L592 HydrophobicContact CH2-CB 4.11Å; W570-L592 HydrophobicContact CH2-CD1 4.43Å; W570-L592 HydrophobicContact CZ2-CB 4.17Å; V588-L592 WeakPolarHBondContact O-CB 2.97Å; V588-L592 WeakPolarHBondContact O-CG 3.48Å; V588-L592 PolarHBondContact O-N 3.24Å; L589-L592 HydrophobicContact CD2-CD1 3.8Å; L589-L592 WeakPolarHBondContact O-CB 3.33Å; L589-L592 PolarHBondContact O-N 2.92Å; K590-L592 VanDerWaalsContact C-N 3.26Å; K590-L592 PolarHBondContact O-N 2.79Å; L592-M594 VanDerWaalsContact C-N 3.3Å; L592-M594 PolarHBondContact O-N 2.93Å; L592-V595 WeakPolarHBondContact O-CB 3.27Å; L592-V595 PolarHBondContact O-N 3.47Å; L592-F596 VanDerWaalsContact O-CD2 3.32Å; L592-F596 WeakPolarHBondContact O-CD2 3.48Å; L592-F596 PolarHBondContact O-N 3.37Å |
| 593 | L | 70.7 | Confident | 60.4 | Low | 43 Ų | 43 | 57.9 Ų | 57.9 | 23% | 0.225 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -58 | -45.6 | 173.8 | -180 | 66.1 | 0 | 0 | 0 | 110.5 | L589 K590 V595 F596 L597 | L589-L593 PolarHBondContact O-N 3.11Å; L589-L593 VanDerWaalsContact O-N 3.09Å; K590-L593 WeakPolarHBondContact O-CB 3.47Å; K590-L593 PolarHBondContact O-N 3.44Å; L593-V595 VanDerWaalsContact C-N 3.34Å; L593-V595 PolarHBondContact O-N 3.28Å; L593-F596 PolarHBondContact O-N 3.44Å; L593-L597 HydrophobicContact CD1-CD1 4.17Å; L593-L597 HydrophobicContact CD1-CG 4.38Å; L593-L597 HydrophobicContact CG-CD1 4.01Å; L593-L597 VanDerWaalsContact O-CG 3.3Å; L593-L597 WeakPolarHBondContact O-CG 3.5Å; L593-L597 PolarHBondContact O-N 2.98Å |
| 594 | M | 71.7 | Confident | 61.5 | Low | 81 Ų | 81 | 54.8 Ų | 54.8 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | 176.6 | -61.4 | -59.6 | -73.6 | 0 | 0 | 112.1 | K590 D591 L592 L597 G598 L599 | K590-M594 WeakPolarHBondContact O-CG 3.41Å; K590-M594 PolarHBondContact O-N 3.18Å; K590-M594 VanDerWaalsContact O-N 3.15Å; D591-M594 WeakPolarHBondContact O-CB 3.17Å; D591-M594 PolarHBondContact O-N 3.39Å; L592-M594 VanDerWaalsContact C-N 3.3Å; L592-M594 PolarHBondContact O-N 2.93Å; M594-L597 PolarHBondContact O-N 3.47Å; M594-G598 PolarHBondContact O-N 3.16Å; M594-G598 VanDerWaalsContact O-N 3.14Å; M594-L599 HydrophobicContact CE-CB 3.54Å; M594-L599 HydrophobicContact CE-CD1 4.29Å; M594-L599 VanDerWaalsContact CE-O 3.3Å; M594-L599 WeakPolarHBondContact CE-O 3.4Å; M594-L599 PolarHBondContact O-N 2.81Å; M594-L599 HydrophobicContact SD-CB 4.36Å |
| 595 | V | 72.6 | Confident | 62.5 | Low | 19 Ų | 19 | 53.5 Ų | 53.5 | 12% | 0.115 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.1 | -48.2 | 174.5 | 169.9 | 0 | 0 | 0 | 0 | 110.5 | I556 K563 D591 L592 L593 L597 G598 | I556-V595 HydrophobicContact CG2-CG1 3.89Å; K563-V595 WeakPolarHBondContact CE-O 3.34Å; K563-V595 PolarHBondContact NZ-O 3.13Å; D591-V595 WeakPolarHBondContact O-CG2 3.44Å; D591-V595 PolarHBondContact O-N 3.03Å; L592-V595 WeakPolarHBondContact O-CB 3.27Å; L592-V595 PolarHBondContact O-N 3.47Å; L593-V595 VanDerWaalsContact C-N 3.34Å; L593-V595 PolarHBondContact O-N 3.28Å; V595-L597 PolarHBondContact O-N 2.9Å; V595-G598 PolarHBondContact O-N 3.2Å; V595-G598 VanDerWaalsContact O-N 3.13Å |
| 596 | F | 71.9 | Confident | 63.7 | Low | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.035 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.2 | -41 | 179 | -88.5 | -66.7 | 0 | 0 | 0 | 113 | F513 I556 L566 C567 W570 L592 L593 G598 | F513-F596 HydrophobicContact CE2-CZ 4.5Å; F513-F596 AromaticContact CZ-CZ 3.94Å; F513-F596 HydrophobicContact CZ-CZ 3.94Å; I556-F596 HydrophobicContact CD1-CD2 4.21Å; I556-F596 HydrophobicContact CD1-CE1 3.91Å; I556-F596 HydrophobicContact CD1-CE2 3.32Å; I556-F596 HydrophobicContact CD1-CZ 3.15Å; I556-F596 HydrophobicContact CG1-CE1 4.41Å; I556-F596 HydrophobicContact CG1-CZ 4.02Å; I556-F596 HydrophobicContact CG2-CE1 4.36Å; L566-F596 HydrophobicContact CB-CE1 3.98Å; L566-F596 HydrophobicContact CB-CZ 4.25Å; C567-F596 HydrophobicContact CB-CD1 4Å; C567-F596 HydrophobicContact CB-CE1 4.49Å; W570-F596 HydrophobicContact CB-CD1 4.22Å; W570-F596 HydrophobicContact CB-CD2 4.02Å; W570-F596 HydrophobicContact CB-CE1 4.07Å; W570-F596 HydrophobicContact CB-CE2 3.86Å; W570-F596 HydrophobicContact CB-CG 4.18Å; W570-F596 HydrophobicContact CB-CZ 3.86Å; W570-F596 AromaticContact CD1-CD2 3.65Å; W570-F596 AromaticContact CD1-CG 3.91Å; W570-F596 AromaticContact CD2-CD2 3.43Å; W570-F596 HydrophobicContact CD2-CD2 3.43Å; W570-F596 VanDerWaalsContact CD2-CD2 3.43Å; W570-F596 AromaticContact CD2-CE2 3.32Å; W570-F596 HydrophobicContact CD2-CE2 3.32Å; W570-F596 HydrophobicContact CD2-CG 4.35Å; W570-F596 HydrophobicContact CD2-CZ 4.17Å; W570-F596 AromaticContact CE2-CD2 3.68Å; W570-F596 AromaticContact CE2-CE2 3.97Å; W570-F596 HydrophobicContact CE3-CD2 4Å; W570-F596 AromaticContact CE3-CE2 3.4Å; W570-F596 HydrophobicContact CE3-CE2 3.4Å; W570-F596 VanDerWaalsContact CE3-CE2 3.4Å; W570-F596 HydrophobicContact CE3-CZ 4.15Å; W570-F596 HydrophobicContact CG-CB 4.48Å; W570-F596 HydrophobicContact CG-CD1 4.4Å; W570-F596 AromaticContact CG-CD2 3.41Å; W570-F596 HydrophobicContact CG-CD2 3.41Å; W570-F596 VanDerWaalsContact CG-CD2 3.41Å; W570-F596 HydrophobicContact CG-CE1 4.5Å; W570-F596 AromaticContact CG-CE2 3.53Å; W570-F596 HydrophobicContact CG-CE2 3.53Å; W570-F596 AromaticContact CG-CG 3.87Å; W570-F596 HydrophobicContact CG-CG 3.87Å; W570-F596 HydrophobicContact CG-CZ 4.07Å; W570-F596 HydrophobicContact CZ2-CD2 4.41Å; W570-F596 HydrophobicContact CZ3-CE2 4.1Å; W570-F596 AromaticContact NE1-CD2 3.79Å; L592-F596 VanDerWaalsContact O-CD2 3.32Å; L592-F596 WeakPolarHBondContact O-CD2 3.48Å; L592-F596 PolarHBondContact O-N 3.37Å; L593-F596 PolarHBondContact O-N 3.44Å; F596-G598 PolarHBondContact O-N 2.95Å |
| 597 | L | 72.3 | Confident | 64.4 | Low | 58 Ų | 58 | 58.8 Ų | 58.8 | 30% | 0.304 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -72.2 | -9.7 | 177.4 | -65.4 | 174.2 | 0 | 0 | 0 | 113.3 | L571 E576 L593 M594 V595 L599 | L571-L597 HydrophobicContact CD2-CD2 4.04Å; E576-L597 HydrophobicContact CG-CD2 4.37Å; L593-L597 HydrophobicContact CD1-CD1 4.17Å; L593-L597 HydrophobicContact CD1-CG 4.38Å; L593-L597 HydrophobicContact CG-CD1 4.01Å; L593-L597 VanDerWaalsContact O-CG 3.3Å; L593-L597 WeakPolarHBondContact O-CG 3.5Å; L593-L597 PolarHBondContact O-N 2.98Å; M594-L597 PolarHBondContact O-N 3.47Å; V595-L597 PolarHBondContact O-N 2.9Å; L597-L599 HydrophobicContact CB-CB 4.4Å; L597-L599 HydrophobicContact CB-CD1 3.74Å; L597-L599 HydrophobicContact CB-CG 3.81Å; L597-L599 HydrophobicContact CD1-CD1 3.93Å; L597-L599 HydrophobicContact CG-CD1 4.48Å; L597-L599 PolarHBondContact O-N 2.81Å |
| 598 | G | 63.8 | Low | 64.5 | Low | 47 Ų | 47 | 58.3 Ų | 58.3 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.1 | 21.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | M594 V595 F596 | M594-G598 PolarHBondContact O-N 3.16Å; M594-G598 VanDerWaalsContact O-N 3.14Å; V595-G598 PolarHBondContact O-N 3.2Å; V595-G598 VanDerWaalsContact O-N 3.13Å; F596-G598 PolarHBondContact O-N 2.95Å |
| 599 | L | 58.7 | Low | 64.7 | Low | 101 Ų | 101 | 61.8 Ų | 61.8 | 53% | 0.529 | 41% | 0.406 | S | S | . | . | trans | -100 | 39.3 | -179.1 | -59.7 | 173.5 | 0 | 0 | 0 | 110.8 | M594 L597 G601 | M594-L599 HydrophobicContact CE-CB 3.54Å; M594-L599 HydrophobicContact CE-CD1 4.29Å; M594-L599 VanDerWaalsContact CE-O 3.3Å; M594-L599 WeakPolarHBondContact CE-O 3.4Å; M594-L599 PolarHBondContact O-N 2.81Å; M594-L599 HydrophobicContact SD-CB 4.36Å; L597-L599 HydrophobicContact CB-CB 4.4Å; L597-L599 HydrophobicContact CB-CD1 3.74Å; L597-L599 HydrophobicContact CB-CG 3.81Å; L597-L599 HydrophobicContact CD1-CD1 3.93Å; L597-L599 HydrophobicContact CG-CD1 4.48Å; L597-L599 PolarHBondContact O-N 2.81Å; L599-G601 PolarHBondContact O-N 3.47Å | ||
| 600 | S | 48.8 | Very low | 64.4 | Low | 90 Ų | 90 | 66.4 Ų | 66.4 | 63% | 0.629 | 44% | 0.437 | S | S | * | . | trans | -86.2 | 110.3 | 171.1 | 53.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 601 | G | 37.3 | Very low | 64.1 | Low | 152 Ų | 152 | 62.9 Ų | 62.9 | 100% | 1.567 | 44% | 0.435 | S | S | * | . | trans | -76 | 0 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L599 | L599-G601 PolarHBondContact O-N 3.47Š|
Retrieved 601 of 601 residues in 200.2 ms
(Link to these results)