| 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 | 64.9 | Low | 85 | Confident | 93 Ų | 93 | 64.3 Ų | 64.3 | 46% | 0.458 | 31% | 0.312 | S | S | . | . | 0 | 145.3 | 0 | -178.6 | 177.8 | -96.6 | 0 | 0 | 107.9 | P3 I6 I32 F35 | M1-P3 WeakPolarHBondContact O-CD 3.49Å; M1-I6 HydrophobicContact CG-CD1 4.13Å; M1-I6 HydrophobicContact CG-CG1 4.49Å; M1-I6 HydrophobicContact SD-CD1 3.36Å; M1-I6 WeakPolarHBondContact SD-CD1 3.43Å; M1-I6 HydrophobicContact SD-CG1 3.97Å; M1-I32 HydrophobicContact CE-CB 3.51Å; M1-I32 HydrophobicContact CE-CD1 3.58Å; M1-I32 HydrophobicContact CE-CG1 4.09Å; M1-I32 HydrophobicContact CE-CG2 3.61Å; M1-F35 HydrophobicContact CE-CB 4.02Å; M1-F35 HydrophobicContact CE-CD2 3.69Å; M1-F35 HydrophobicContact CE-CG 4.33Å; M1-F35 HydrophobicContact SD-CB 4.12Å; M1-F35 HydrophobicContact SD-CD2 3.58Å; M1-F35 VanDerWaalsContact SD-CD2 3.58Å; M1-F35 HydrophobicContact SD-CG 4.31Å | |||
| 2 | D | 77.6 | Confident | 85.3 | Confident | 90 Ų | 90 | 59.6 Ų | 59.6 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | trans | -80.9 | 113.3 | 177.3 | -178.2 | 5 | 0 | 0 | 0 | 110.3 | N4 R5 | D2-N4 PolarHBondContact O-N 3.29Å; D2-N4 WeakPolarHBondContact OD1-CB 3.44Å; D2-N4 PolarHBondContact OD1-N 3.39Å; D2-N4 VanDerWaalsContact OD1-N 3.08Å; D2-N4 PolarHBondContact OD1-ND2 2.89Å; D2-N4 VanDerWaalsContact OD1-ND2 3.16Å; D2-R5 HydrophobicContact CB-CB 4.5Å; D2-R5 PolarHBondContact O-N 3.17Å | ||
| 3 | P | 83.3 | Confident | 85.5 | Confident | 51 Ų | 51 | 57.5 Ų | 57.5 | 33% | 0.331 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.1 | -29.5 | -179.5 | -20.7 | 33.1 | 0 | 0 | 0 | 112.9 | M1 R5 I6 I7 T38 I42 | M1-P3 WeakPolarHBondContact O-CD 3.49Å; P3-R5 VanDerWaalsContact C-N 3.28Å; P3-R5 PolarHBondContact O-N 2.71Å; P3-I6 PolarHBondContact O-N 2.92Å; P3-I7 VanDerWaalsContact O-CG1 3.28Å; P3-I7 WeakPolarHBondContact O-CG1 3.45Å; P3-I7 PolarHBondContact O-N 3.33Å; P3-T38 HydrophobicContact CB-CG2 4.02Å; P3-T38 HydrophobicContact CG-CG2 4.04Å; P3-I42 HydrophobicContact CB-CD1 4.5Å; P3-I42 HydrophobicContact CB-CG1 4.49Å |
| 4 | N | 86 | Confident | 85.6 | Confident | 105 Ų | 105 | 59.9 Ų | 59.9 | 56% | 0.561 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.2 | -34.8 | -177.9 | -65.2 | -56 | 0 | 0 | 0 | 112 | D2 I7 Q8 | D2-N4 PolarHBondContact O-N 3.29Å; D2-N4 WeakPolarHBondContact OD1-CB 3.44Å; D2-N4 PolarHBondContact OD1-N 3.39Å; D2-N4 VanDerWaalsContact OD1-N 3.08Å; D2-N4 PolarHBondContact OD1-ND2 2.89Å; D2-N4 VanDerWaalsContact OD1-ND2 3.16Å; N4-I7 PolarHBondContact O-N 3.06Å; N4-Q8 WeakPolarHBondContact O-CG 3.44Å; N4-Q8 PolarHBondContact O-N 2.86Å |
| 5 | R | 86.8 | Confident | 85.5 | Confident | 145 Ų | 145 | 59.9 Ų | 59.9 | 55% | 0.547 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.3 | -43 | 177.2 | -170.8 | 174.1 | 177.2 | -174.5 | -4.9 | 111.7 | D2 P3 Q8 A9 E25 | D2-R5 HydrophobicContact CB-CB 4.5Å; D2-R5 PolarHBondContact O-N 3.17Å; P3-R5 VanDerWaalsContact C-N 3.28Å; P3-R5 PolarHBondContact O-N 2.71Å; R5-Q8 PolarHBondContact O-N 2.84Å; R5-A9 PolarHBondContact O-N 3.04Å; R5-A9 VanDerWaalsContact O-N 3.08Å; R5-E25 IonicContact CZ-OE1 2.88Å; R5-E25 IonicContact NE-OE1 2.74Å; R5-E25 PolarHBondContact NE-OE1 3.45Å; R5-E25 IonicContact NH2-OE1 3.48Å; R5-E25 PolarHBondContact NH2-OE1 3.04Å; R5-E25 VanDerWaalsContact NH2-OE1 3.1Å |
| 6 | I | 88.4 | Confident | 85.4 | Confident | 7 Ų | 7 | 63.4 Ų | 63.4 | 4% | 0.036 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.7 | -41.7 | 175.8 | -50 | 175.4 | 0 | 0 | 0 | 110.4 | M1 P3 Q8 A9 L10 L26 F35 T38 L39 I42 | M1-I6 HydrophobicContact CG-CD1 4.13Å; M1-I6 HydrophobicContact CG-CG1 4.49Å; M1-I6 HydrophobicContact SD-CD1 3.36Å; M1-I6 WeakPolarHBondContact SD-CD1 3.43Å; M1-I6 HydrophobicContact SD-CG1 3.97Å; P3-I6 PolarHBondContact O-N 2.92Å; I6-Q8 VanDerWaalsContact C-N 3.33Å; I6-Q8 PolarHBondContact O-N 3.47Å; I6-A9 PolarHBondContact O-N 3.13Å; I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.22Å; I6-L10 WeakPolarHBondContact O-CB 3.43Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.28Å; I6-L10 PolarHBondContact O-N 3.02Å; I6-L26 HydrophobicContact CG2-CD2 4.3Å; I6-F35 HydrophobicContact CD1-CD2 4.04Å; I6-F35 HydrophobicContact CD1-CE2 4.14Å; I6-F35 HydrophobicContact CG1-CE2 4.29Å; I6-F35 HydrophobicContact CG2-CE2 4.24Å; I6-T38 HydrophobicContact CD1-CG2 3.59Å; I6-L39 HydrophobicContact CG2-CD2 3.74Å; I6-I42 HydrophobicContact CB-CD1 3.87Å; I6-I42 HydrophobicContact CD1-CD1 4.26Å; I6-I42 HydrophobicContact CG2-CD1 3.9Å |
| 7 | I | 90.3 | Very high | 85.2 | Confident | 22 Ų | 22 | 68.2 Ų | 68.2 | 11% | 0.113 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 176.9 | -72 | 165.5 | 0 | 0 | 0 | 111 | P3 N4 L10 K11 I42 V48 V52 | P3-I7 VanDerWaalsContact O-CG1 3.28Å; P3-I7 WeakPolarHBondContact O-CG1 3.45Å; P3-I7 PolarHBondContact O-N 3.33Å; N4-I7 PolarHBondContact O-N 3.06Å; I7-L10 PolarHBondContact O-N 2.58Å; I7-K11 WeakPolarHBondContact O-CG 3.45Å; I7-K11 PolarHBondContact O-N 3.34Å; I7-I42 HydrophobicContact CD1-CG1 4.3Å; I7-I42 HydrophobicContact CG1-CD1 3.95Å; I7-I42 HydrophobicContact CG1-CG1 4.09Å; I7-I42 HydrophobicContact CG1-CG2 4.05Å; I7-V48 HydrophobicContact CD1-CG2 3.85Å; I7-V52 HydrophobicContact CG2-CG1 4.28Å |
| 8 | Q | 88.8 | Confident | 85.1 | Confident | 125 Ų | 125 | 69.6 Ų | 69.6 | 58% | 0.584 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -66.1 | -42.3 | 178.2 | -69 | -62.6 | -17.4 | 0 | 0 | 112.1 | N4 R5 I6 K11 G12 | N4-Q8 WeakPolarHBondContact O-CG 3.44Å; N4-Q8 PolarHBondContact O-N 2.86Å; R5-Q8 PolarHBondContact O-N 2.84Å; I6-Q8 VanDerWaalsContact C-N 3.33Å; I6-Q8 PolarHBondContact O-N 3.47Å; Q8-K11 WeakPolarHBondContact O-CB 3.32Å; Q8-K11 PolarHBondContact O-N 3.2Å; Q8-G12 PolarHBondContact O-N 2.84Å |
| 9 | A | 88.3 | Confident | 85 | Confident | 4 Ų | 4 | 73.3 Ų | 73.3 | 3% | 0.033 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.1 | R5 I6 K11 G12 T13 A22 E25 L26 | R5-A9 PolarHBondContact O-N 3.04Å; R5-A9 VanDerWaalsContact O-N 3.08Å; I6-A9 PolarHBondContact O-N 3.13Å; A9-K11 VanDerWaalsContact C-N 3.31Å; A9-K11 PolarHBondContact O-N 2.93Å; A9-G12 WeakPolarHBondContact O-CA 3.47Å; A9-G12 PolarHBondContact O-N 3.23Å; A9-T13 PolarHBondContact O-N 3.44Å; A9-A22 VanDerWaalsContact O-CB 3.25Å; A9-A22 WeakPolarHBondContact O-CB 3.25Å; A9-E25 HydrophobicContact CB-CG 4.39Å; A9-L26 HydrophobicContact CB-CD2 3.88Å; A9-L26 HydrophobicContact CB-CG 3.98Å |
| 10 | L | 90.5 | Very high | 84.9 | Confident | 2 Ų | 2 | 76.3 Ų | 76.3 | 1% | 0.01 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -64 | -31.4 | 176.2 | -70.5 | 169.4 | 0 | 0 | 0 | 113.5 | I6 I7 T13 L26 L39 V52 A55 A56 | I6-L10 HydrophobicContact CG2-CD1 3.84Å; I6-L10 HydrophobicContact CG2-CG 4.22Å; I6-L10 WeakPolarHBondContact O-CB 3.43Å; I6-L10 VanDerWaalsContact O-CG 3.27Å; I6-L10 WeakPolarHBondContact O-CG 3.28Å; I6-L10 PolarHBondContact O-N 3.02Å; I7-L10 PolarHBondContact O-N 2.58Å; L10-T13 PolarHBondContact O-OG1 2.8Å; L10-L26 HydrophobicContact CD2-CD1 4.03Å; L10-L39 HydrophobicContact CD1-CD2 4.09Å; L10-V52 HydrophobicContact CB-CG1 3.77Å; L10-V52 HydrophobicContact CD1-CG1 4.27Å; L10-A55 HydrophobicContact CD2-CB 4.35Å; L10-A56 HydrophobicContact CD1-CB 3.67Å |
| 11 | K | 90.4 | Very high | 84.9 | Confident | 63 Ų | 63 | 75.8 Ų | 75.8 | 27% | 0.274 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 169.2 | -77.7 | -176.3 | -177.2 | -139 | 0 | 110.7 | I7 Q8 A9 T13 I14 E49 V52 | I7-K11 WeakPolarHBondContact O-CG 3.45Å; I7-K11 PolarHBondContact O-N 3.34Å; Q8-K11 WeakPolarHBondContact O-CB 3.32Å; Q8-K11 PolarHBondContact O-N 3.2Å; A9-K11 VanDerWaalsContact C-N 3.31Å; A9-K11 PolarHBondContact O-N 2.93Å; K11-T13 VanDerWaalsContact C-N 3.28Å; K11-T13 PolarHBondContact O-N 2.94Å; K11-I14 PolarHBondContact O-N 3.14Å; K11-I14 VanDerWaalsContact O-N 3.14Å; K11-E49 WeakPolarHBondContact CE-OE2 3.48Å; K11-E49 IonicContact NZ-OE1 3.07Å; K11-E49 PolarHBondContact NZ-OE1 3.01Å; K11-E49 IonicContact NZ-OE2 3.88Å; K11-E49 PolarHBondContact NZ-OE2 3.33Å; K11-V52 HydrophobicContact CB-CG2 4.48Å; K11-V52 HydrophobicContact CD-CG2 4.19Å; K11-V52 HydrophobicContact CG-CG1 4.44Å; K11-V52 HydrophobicContact CG-CG2 3.31Å |
| 12 | G | 87.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 71.7 Ų | 71.7 | 8% | 0.082 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.7 | -29.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q8 A9 I14 D15 L18 R19 | Q8-G12 PolarHBondContact O-N 2.84Å; A9-G12 WeakPolarHBondContact O-CA 3.47Å; A9-G12 PolarHBondContact O-N 3.23Å; G12-I14 PolarHBondContact O-N 2.87Å; G12-D15 PolarHBondContact O-N 3.34Å; G12-L18 CarbonylContact O-C 3.58Å; G12-R19 WeakPolarHBondContact O-CA 3.37Å; G12-R19 PolarHBondContact O-N 3.29Å |
| 13 | T | 88.1 | Confident | 86.1 | Confident | 33 Ų | 33 | 70.6 Ų | 70.6 | 20% | 0.202 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.7 | 175.9 | 59.1 | 0 | 0 | 0 | 0 | 113.7 | A9 L10 K11 A22 E23 L26 | A9-T13 PolarHBondContact O-N 3.44Å; L10-T13 PolarHBondContact O-OG1 2.8Å; K11-T13 VanDerWaalsContact C-N 3.28Å; K11-T13 PolarHBondContact O-N 2.94Å; T13-A22 HydrophobicContact CG2-CB 3.81Å; T13-E23 HydrophobicContact CG2-CG 4.15Å; T13-L26 HydrophobicContact CG2-CD1 3.66Å |
| 14 | I | 87.3 | Confident | 86.2 | Confident | 90 Ų | 90 | 72.6 Ų | 72.6 | 46% | 0.462 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -17.8 | -179.5 | -52.5 | 167.9 | 0 | 0 | 0 | 110.8 | K11 G12 P51 A55 | K11-I14 PolarHBondContact O-N 3.14Å; K11-I14 VanDerWaalsContact O-N 3.14Å; G12-I14 PolarHBondContact O-N 2.87Å; I14-P51 HydrophobicContact CD1-CB 3.85Å; I14-A55 HydrophobicContact CD1-CB 4.24Å; I14-A55 HydrophobicContact CG1-CB 4.46Å |
| 15 | D | 84.8 | Confident | 86.2 | Confident | 60 Ų | 60 | 70.3 Ų | 70.3 | 32% | 0.321 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -93.3 | 120 | 176.9 | -174.7 | -24.5 | 0 | 0 | 0 | 110.4 | G12 N17 L18 R19 | G12-D15 PolarHBondContact O-N 3.34Å; D15-N17 PolarHBondContact O-N 3.39Å; D15-N17 WeakPolarHBondContact OD1-CB 3.43Å; D15-N17 PolarHBondContact OD1-N 3.33Å; D15-N17 PolarHBondContact OD1-ND2 3.34Å; D15-L18 HydrophobicContact CB-CB 4.22Å; D15-L18 HydrophobicContact CB-CD1 4.43Å; D15-L18 HydrophobicContact CB-CG 4.46Å; D15-L18 PolarHBondContact O-N 2.66Å; D15-R19 WeakPolarHBondContact O-CB 3.47Å; D15-R19 PolarHBondContact O-N 2.99Å |
| 16 | P | 82.8 | Confident | 86.2 | Confident | 116 Ų | 116 | 63.6 Ų | 63.6 | 75% | 0.753 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -32.4 | 178.7 | -27.1 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 17 | N | 82.7 | Confident | 85.9 | Confident | 146 Ų | 146 | 67.5 Ų | 67.5 | 78% | 0.781 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -23.5 | -177.1 | -58.4 | -61.8 | 0 | 0 | 0 | 113.2 | D15 | D15-N17 PolarHBondContact O-N 3.39Å; D15-N17 WeakPolarHBondContact OD1-CB 3.43Å; D15-N17 PolarHBondContact OD1-N 3.33Å; D15-N17 PolarHBondContact OD1-ND2 3.34Å |
| 18 | L | 83.7 | Confident | 85.6 | Confident | 93 Ų | 93 | 73.4 Ų | 73.4 | 49% | 0.487 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -7.9 | -175.7 | -60.7 | 175.7 | 0 | 0 | 0 | 113 | G12 D15 L20 A21 A22 | G12-L18 CarbonylContact O-C 3.58Å; D15-L18 HydrophobicContact CB-CB 4.22Å; D15-L18 HydrophobicContact CB-CD1 4.43Å; D15-L18 HydrophobicContact CB-CG 4.46Å; D15-L18 PolarHBondContact O-N 2.66Å; L18-L20 PolarHBondContact O-N 3.2Å; L18-A21 PolarHBondContact O-N 3.41Å; L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.4Å |
| 19 | R | 83.6 | Confident | 85.3 | Confident | 139 Ų | 139 | 68.2 Ų | 68.2 | 53% | 0.525 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -52.5 | -53 | -173.6 | -177.1 | 175.3 | 174.4 | -175.6 | -1.2 | 113.8 | G12 D15 A21 A22 E23 | G12-R19 WeakPolarHBondContact O-CA 3.37Å; G12-R19 PolarHBondContact O-N 3.29Å; D15-R19 WeakPolarHBondContact O-CB 3.47Å; D15-R19 PolarHBondContact O-N 2.99Å; R19-A21 VanDerWaalsContact C-N 3.35Å; R19-A21 PolarHBondContact O-N 3.29Å; R19-A22 PolarHBondContact O-N 3.12Å; R19-E23 HydrophobicContact CG-CG 4.36Å; R19-E23 WeakPolarHBondContact CG-OE1 3.39Å; R19-E23 IonicContact CZ-OE1 2.8Å; R19-E23 IonicContact NE-OE1 3.1Å; R19-E23 PolarHBondContact NE-OE1 3.29Å; R19-E23 IonicContact NH2-OE1 3.38Å; R19-E23 WeakPolarHBondContact O-CB 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.46Å; R19-E23 PolarHBondContact O-N 3.36Å |
| 20 | L | 81.6 | Confident | 85.1 | Confident | 133 Ų | 133 | 69.9 Ų | 69.9 | 70% | 0.696 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | -178.4 | -73.4 | 166.2 | 0 | 0 | 0 | 112.5 | L18 N24 | L18-L20 PolarHBondContact O-N 3.2Å; L20-N24 WeakPolarHBondContact O-CB 2.96Å; L20-N24 VanDerWaalsContact O-CG 3.28Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 VanDerWaalsContact O-N 3.14Å; L20-N24 PolarHBondContact O-ND2 2.93Å |
| 21 | A | 84.8 | Confident | 84.9 | Confident | 66 Ų | 66 | 75.9 Ų | 75.9 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -68.2 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L18 R19 N24 E25 | L18-A21 PolarHBondContact O-N 3.41Å; R19-A21 VanDerWaalsContact C-N 3.35Å; R19-A21 PolarHBondContact O-N 3.29Å; A21-N24 PolarHBondContact O-N 2.8Å; A21-E25 PolarHBondContact O-N 3.39Å |
| 22 | A | 84.9 | Confident | 84.7 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A9 T13 L18 R19 N24 E25 L26 | A9-A22 VanDerWaalsContact O-CB 3.25Å; A9-A22 WeakPolarHBondContact O-CB 3.25Å; T13-A22 HydrophobicContact CG2-CB 3.81Å; L18-A22 WeakPolarHBondContact O-CB 3.43Å; L18-A22 PolarHBondContact O-N 3.4Å; R19-A22 PolarHBondContact O-N 3.12Å; A22-N24 VanDerWaalsContact C-N 3.32Å; A22-N24 PolarHBondContact O-N 3.22Å; A22-E25 PolarHBondContact O-N 3.43Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 2.88Å |
| 23 | E | 84.4 | Confident | 84.6 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 32% | 0.318 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 175.2 | -75.1 | 176.5 | -176.5 | 0 | 0 | 110.9 | T13 R19 E25 L26 N27 | T13-E23 HydrophobicContact CG2-CG 4.15Å; R19-E23 HydrophobicContact CG-CG 4.36Å; R19-E23 WeakPolarHBondContact CG-OE1 3.39Å; R19-E23 IonicContact CZ-OE1 2.8Å; R19-E23 IonicContact NE-OE1 3.1Å; R19-E23 PolarHBondContact NE-OE1 3.29Å; R19-E23 IonicContact NH2-OE1 3.38Å; R19-E23 WeakPolarHBondContact O-CB 3.32Å; R19-E23 WeakPolarHBondContact O-CG 3.46Å; R19-E23 PolarHBondContact O-N 3.36Å; E23-E25 PolarHBondContact O-N 3.27Å; E23-L26 PolarHBondContact O-N 2.92Å; E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 VanDerWaalsContact O-CG 3.23Å; E23-N27 PolarHBondContact O-N 3.23Å; E23-N27 PolarHBondContact O-ND2 3.02Å |
| 24 | N | 84.7 | Confident | 84.6 | Confident | 92 Ų | 92 | 81.9 Ų | 81.9 | 49% | 0.492 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173.9 | -78.5 | -36.2 | 0 | 0 | 0 | 112.7 | L20 A21 A22 N27 Q28 | L20-N24 WeakPolarHBondContact O-CB 2.96Å; L20-N24 VanDerWaalsContact O-CG 3.28Å; L20-N24 PolarHBondContact O-N 3.13Å; L20-N24 VanDerWaalsContact O-N 3.14Å; L20-N24 PolarHBondContact O-ND2 2.93Å; A21-N24 PolarHBondContact O-N 2.8Å; A22-N24 VanDerWaalsContact C-N 3.32Å; A22-N24 PolarHBondContact O-N 3.22Å; N24-N27 PolarHBondContact O-N 3.1Å; N24-Q28 WeakPolarHBondContact O-CG 3.48Å; N24-Q28 PolarHBondContact O-N 3.21Å |
| 25 | E | 85.8 | Confident | 84.8 | Confident | 57 Ų | 57 | 77.6 Ų | 77.6 | 27% | 0.266 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66 | -39.6 | 176.5 | -177.6 | 167.5 | -160 | 0 | 0 | 112.3 | R5 A9 A21 A22 E23 Q28 S29 | R5-E25 IonicContact CZ-OE1 2.88Å; R5-E25 IonicContact NE-OE1 2.74Å; R5-E25 PolarHBondContact NE-OE1 3.45Å; R5-E25 IonicContact NH2-OE1 3.48Å; R5-E25 PolarHBondContact NH2-OE1 3.04Å; R5-E25 VanDerWaalsContact NH2-OE1 3.1Å; A9-E25 HydrophobicContact CB-CG 4.39Å; A21-E25 PolarHBondContact O-N 3.39Å; A22-E25 PolarHBondContact O-N 3.43Å; E23-E25 PolarHBondContact O-N 3.27Å; E25-Q28 PolarHBondContact O-N 3.14Å; E25-S29 PolarHBondContact O-N 3.23Å; E25-S29 PolarHBondContact O-OG 2.98Å |
| 26 | L | 86.4 | Confident | 85.1 | Confident | 4 Ų | 4 | 74.7 Ų | 74.7 | 2% | 0.021 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -65.9 | -40.6 | 174.2 | -67.8 | 171.3 | 0 | 0 | 0 | 111.3 | I6 A9 L10 T13 A22 E23 Q28 S29 Y30 F35 Y59 | I6-L26 HydrophobicContact CG2-CD2 4.3Å; A9-L26 HydrophobicContact CB-CD2 3.88Å; A9-L26 HydrophobicContact CB-CG 3.98Å; L10-L26 HydrophobicContact CD2-CD1 4.03Å; T13-L26 HydrophobicContact CG2-CD1 3.66Å; A22-L26 WeakPolarHBondContact O-CG 3.48Å; A22-L26 PolarHBondContact O-N 2.88Å; E23-L26 PolarHBondContact O-N 2.92Å; L26-Q28 PolarHBondContact O-N 3.26Å; L26-S29 PolarHBondContact O-N 2.92Å; L26-Y30 PolarHBondContact O-N 3.13Å; L26-F35 HydrophobicContact CD2-CE2 4.39Å; L26-F35 HydrophobicContact CD2-CZ 4.15Å; L26-Y59 HydrophobicContact CB-CE2 3.88Å; L26-Y59 HydrophobicContact CD1-CD2 4.07Å; L26-Y59 HydrophobicContact CD1-CE2 3.88Å; L26-Y59 HydrophobicContact CG-CE2 4.4Å |
| 27 | N | 82.9 | Confident | 85.6 | Confident | 90 Ų | 90 | 69.4 Ų | 69.4 | 48% | 0.481 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -66.6 | -21.2 | 175.5 | -73.8 | -19.6 | 0 | 0 | 0 | 113.7 | E23 N24 Y30 | E23-N27 WeakPolarHBondContact O-CB 3.41Å; E23-N27 VanDerWaalsContact O-CG 3.23Å; E23-N27 PolarHBondContact O-N 3.23Å; E23-N27 PolarHBondContact O-ND2 3.02Å; N24-N27 PolarHBondContact O-N 3.1Å; N27-Y30 WeakPolarHBondContact O-CD1 3.17Å; N27-Y30 WeakPolarHBondContact O-CE1 3.41Å |
| 28 | Q | 83.3 | Confident | 86.1 | Confident | 146 Ų | 146 | 63 Ų | 63 | 68% | 0.682 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -81.8 | -24 | 170.1 | -70.6 | 172.5 | 15.6 | 0 | 0 | 112.3 | N24 E25 L26 | N24-Q28 WeakPolarHBondContact O-CG 3.48Å; N24-Q28 PolarHBondContact O-N 3.21Å; E25-Q28 PolarHBondContact O-N 3.14Å; L26-Q28 PolarHBondContact O-N 3.26Å |
| 29 | S | 83.8 | Confident | 86.5 | Confident | 16 Ų | 16 | 58.5 Ų | 58.5 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -100.3 | -22.1 | -170.2 | -56.8 | 0 | 0 | 0 | 0 | 114.3 | E25 L26 K31 I32 | E25-S29 PolarHBondContact O-N 3.23Å; E25-S29 PolarHBondContact O-OG 2.98Å; L26-S29 PolarHBondContact O-N 2.92Å; S29-K31 PolarHBondContact O-N 3.2Å; S29-K31 VanDerWaalsContact O-N 3.13Å; S29-I32 WeakPolarHBondContact O-CB 3.45Å; S29-I32 WeakPolarHBondContact O-CG1 3.41Å; S29-I32 PolarHBondContact O-N 2.49Å |
| 30 | Y | 83.8 | Confident | 87 | Confident | 39 Ų | 39 | 52.2 Ų | 52.2 | 15% | 0.153 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -24.1 | -171 | 81.8 | -78.9 | 0 | 0 | 0 | 114.9 | L26 N27 I32 M63 Y67 F82 | L26-Y30 PolarHBondContact O-N 3.13Å; N27-Y30 WeakPolarHBondContact O-CD1 3.17Å; N27-Y30 WeakPolarHBondContact O-CE1 3.41Å; Y30-I32 VanDerWaalsContact C-N 3.32Å; Y30-M63 WeakPolarHBondContact O-CE 3.17Å; Y30-Y67 HydrophobicContact CD2-CE2 4.26Å; Y30-Y67 HydrophobicContact CE2-CE2 4.15Å; Y30-F82 AromaticContact CD2-CD1 3.89Å; Y30-F82 HydrophobicContact CD2-CD1 3.89Å; Y30-F82 AromaticContact CD2-CE1 3.76Å; Y30-F82 HydrophobicContact CD2-CE1 3.76Å; Y30-F82 HydrophobicContact CD2-CZ 4.37Å; Y30-F82 HydrophobicContact CE2-CB 4.48Å; Y30-F82 AromaticContact CE2-CD1 3.58Å; Y30-F82 HydrophobicContact CE2-CD1 3.58Å; Y30-F82 AromaticContact CE2-CE1 3.96Å; Y30-F82 HydrophobicContact CE2-CE1 3.96Å; Y30-F82 HydrophobicContact CE2-CG 4.04Å; Y30-F82 WeakPolarHBondContact O-CZ 3.13Å |
| 31 | K | 84.6 | Confident | 87.6 | Confident | 128 Ų | 128 | 51.5 Ų | 51.5 | 56% | 0.557 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -7.3 | 177.9 | -59.8 | -170.9 | -178 | -178.9 | 0 | 114 | S29 F82 | S29-K31 PolarHBondContact O-N 3.2Å; S29-K31 VanDerWaalsContact O-N 3.13Å; K31-F82 HydrophobicContact CB-CD2 4.11Å; K31-F82 HydrophobicContact CB-CE2 3.91Å; K31-F82 HydrophobicContact CD-CD2 4.3Å; K31-F82 HydrophobicContact CG-CD2 3.79Å; K31-F82 HydrophobicContact CG-CE2 4.01Å; K31-F82 HydrophobicContact CG-CG 4.17Å |
| 32 | I | 86.7 | Confident | 88 | Confident | 83 Ų | 83 | 48.6 Ų | 48.6 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -79.2 | 132.6 | -176.1 | -57.7 | 171 | 0 | 0 | 0 | 109.8 | M1 S29 Y30 F35 | M1-I32 HydrophobicContact CE-CB 3.51Å; M1-I32 HydrophobicContact CE-CD1 3.58Å; M1-I32 HydrophobicContact CE-CG1 4.09Å; M1-I32 HydrophobicContact CE-CG2 3.61Å; S29-I32 WeakPolarHBondContact O-CB 3.45Å; S29-I32 WeakPolarHBondContact O-CG1 3.41Å; S29-I32 PolarHBondContact O-N 2.49Å; Y30-I32 VanDerWaalsContact C-N 3.32Å; I32-F35 WeakPolarHBondContact O-CB 3.31Å; I32-F35 PolarHBondContact O-N 3.2Å |
| 33 | I | 85.1 | Confident | 88.4 | Confident | 88 Ų | 88 | 48.3 Ų | 48.3 | 45% | 0.451 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 140.5 | 175.2 | -62.1 | 166.6 | 0 | 0 | 0 | 110.4 | F35 H85 | I33-F35 VanDerWaalsContact C-N 3.3Å; I33-H85 HydrophobicContact CG1-CB 4.37Å |
| 34 | N | 88.7 | Confident | 88.8 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 31% | 0.31 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.2 | 3.8 | -168.6 | -58.6 | -65.2 | 0 | 0 | 0 | 115.8 | T38 D88 Q91 | N34-T38 VanDerWaalsContact O-CB 3.28Å; N34-T38 WeakPolarHBondContact O-CB 3.42Å; N34-T38 PolarHBondContact O-N 3.31Å; N34-T38 PolarHBondContact O-OG1 3.41Å; N34-D88 WeakPolarHBondContact CA-OD1 3.49Å; N34-D88 VanDerWaalsContact CA-OD2 3.32Å; N34-D88 WeakPolarHBondContact CA-OD2 3.43Å; N34-D88 VanDerWaalsContact N-CG 3.28Å; N34-D88 PolarHBondContact N-OD1 3.03Å; N34-D88 PolarHBondContact N-OD2 3.01Å; N34-Q91 PolarHBondContact OD1-NE2 2.94Å; N34-Q91 VanDerWaalsContact OD1-NE2 3.11Å |
| 35 | F | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63 | -51.4 | 176.5 | 179.2 | -96.5 | 0 | 0 | 0 | 111.7 | M1 I6 L26 I32 I33 T38 L39 Y59 M63 | M1-F35 HydrophobicContact CE-CB 4.02Å; M1-F35 HydrophobicContact CE-CD2 3.69Å; M1-F35 HydrophobicContact CE-CG 4.33Å; M1-F35 HydrophobicContact SD-CB 4.12Å; M1-F35 HydrophobicContact SD-CD2 3.58Å; M1-F35 VanDerWaalsContact SD-CD2 3.58Å; M1-F35 HydrophobicContact SD-CG 4.31Å; I6-F35 HydrophobicContact CD1-CD2 4.04Å; I6-F35 HydrophobicContact CD1-CE2 4.14Å; I6-F35 HydrophobicContact CG1-CE2 4.29Å; I6-F35 HydrophobicContact CG2-CE2 4.24Å; L26-F35 HydrophobicContact CD2-CE2 4.39Å; L26-F35 HydrophobicContact CD2-CZ 4.15Å; I32-F35 WeakPolarHBondContact O-CB 3.31Å; I32-F35 PolarHBondContact O-N 3.2Å; I33-F35 VanDerWaalsContact C-N 3.3Å; F35-T38 PolarHBondContact O-N 3.06Å; F35-L39 HydrophobicContact CD1-CD1 3.93Å; F35-L39 HydrophobicContact CD1-CG 4.38Å; F35-L39 HydrophobicContact CE1-CD1 3.42Å; F35-L39 VanDerWaalsContact CE1-CD1 3.42Å; F35-L39 HydrophobicContact CE1-CG 4.04Å; F35-L39 HydrophobicContact CZ-CD1 4Å; F35-L39 HydrophobicContact CZ-CD2 4.36Å; F35-L39 HydrophobicContact CZ-CG 4.27Å; F35-L39 PolarHBondContact O-N 3.06Å; F35-Y59 HydrophobicContact CE1-CD1 4.14Å; F35-Y59 AromaticContact CE1-CE1 3.62Å; F35-Y59 HydrophobicContact CE1-CE1 3.62Å; F35-Y59 HydrophobicContact CZ-CD1 4.48Å; F35-Y59 AromaticContact CZ-CE1 3.97Å; F35-Y59 HydrophobicContact CZ-CE1 3.97Å; F35-M63 HydrophobicContact CD1-CE 4.02Å; F35-M63 HydrophobicContact CD1-SD 3.78Å; F35-M63 HydrophobicContact CE1-SD 3.95Å |
| 36 | A | 91.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -66.5 | -41.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | T38 L39 L40 L60 M63 I92 | A36-T38 VanDerWaalsContact C-N 3.33Å; A36-T38 PolarHBondContact O-N 2.77Å; A36-L39 WeakPolarHBondContact O-CB 3.47Å; A36-L39 PolarHBondContact O-N 3.44Å; A36-L40 PolarHBondContact O-N 2.85Å; A36-L40 VanDerWaalsContact O-N 3.16Å; A36-L60 HydrophobicContact CB-CD1 4.11Å; A36-M63 HydrophobicContact CB-CE 3.82Å; A36-M63 HydrophobicContact CB-SD 3.92Å; A36-I92 HydrophobicContact CB-CD1 3.68Å |
| 37 | P | 93.3 | Very high | 89.3 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 169 | -26.6 | 34.8 | 0 | 0 | 0 | 113.5 | L39 L40 Q41 D88 Q91 I92 | P37-L39 VanDerWaalsContact C-N 3.34Å; P37-L40 PolarHBondContact O-N 3.18Å; P37-Q41 WeakPolarHBondContact O-CG 3.44Å; P37-Q41 PolarHBondContact O-N 3.1Å; P37-D88 WeakPolarHBondContact CD-OD2 3.31Å; P37-D88 HydrophobicContact CG-CB 3.75Å; P37-Q91 HydrophobicContact CB-CB 4.09Å; P37-Q91 HydrophobicContact CG-CB 3.93Å; P37-I92 HydrophobicContact CG-CG1 4.49Å |
| 38 | T | 93 | Very high | 89.7 | Confident | 10 Ų | 10 | 55 Ų | 55 | 6% | 0.061 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 177.1 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | P3 I6 N34 F35 A36 L40 Q41 I42 | P3-T38 HydrophobicContact CB-CG2 4.02Å; P3-T38 HydrophobicContact CG-CG2 4.04Å; I6-T38 HydrophobicContact CD1-CG2 3.59Å; N34-T38 VanDerWaalsContact O-CB 3.28Å; N34-T38 WeakPolarHBondContact O-CB 3.42Å; N34-T38 PolarHBondContact O-N 3.31Å; N34-T38 PolarHBondContact O-OG1 3.41Å; F35-T38 PolarHBondContact O-N 3.06Å; A36-T38 VanDerWaalsContact C-N 3.33Å; A36-T38 PolarHBondContact O-N 2.77Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.1Å; T38-Q41 WeakPolarHBondContact O-CB 3.39Å; T38-Q41 PolarHBondContact O-N 3.44Å; T38-I42 HydrophobicContact CG2-CD1 4.19Å; T38-I42 WeakPolarHBondContact O-CG1 3.12Å; T38-I42 PolarHBondContact O-N 2.96Å |
| 39 | L | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -45.4 | 171.4 | -73.4 | 176 | 0 | 0 | 0 | 111.4 | I6 L10 F35 A36 P37 Q41 I42 I43 A56 Y59 L60 M63 | I6-L39 HydrophobicContact CG2-CD2 3.74Å; L10-L39 HydrophobicContact CD1-CD2 4.09Å; F35-L39 HydrophobicContact CD1-CD1 3.93Å; F35-L39 HydrophobicContact CD1-CG 4.38Å; F35-L39 HydrophobicContact CE1-CD1 3.42Å; F35-L39 VanDerWaalsContact CE1-CD1 3.42Å; F35-L39 HydrophobicContact CE1-CG 4.04Å; F35-L39 HydrophobicContact CZ-CD1 4Å; F35-L39 HydrophobicContact CZ-CD2 4.36Å; F35-L39 HydrophobicContact CZ-CG 4.27Å; F35-L39 PolarHBondContact O-N 3.06Å; A36-L39 WeakPolarHBondContact O-CB 3.47Å; A36-L39 PolarHBondContact O-N 3.44Å; P37-L39 VanDerWaalsContact C-N 3.34Å; L39-Q41 VanDerWaalsContact C-N 3.32Å; L39-Q41 PolarHBondContact O-N 3.33Å; L39-I42 PolarHBondContact O-N 3.21Å; L39-I43 WeakPolarHBondContact O-CD1 3.37Å; L39-I43 WeakPolarHBondContact O-CG1 3.26Å; L39-I43 PolarHBondContact O-N 3.35Å; L39-A56 HydrophobicContact CD2-CB 4.36Å; L39-Y59 HydrophobicContact CD1-CD1 3.71Å; L39-Y59 HydrophobicContact CD1-CE1 4.39Å; L39-L60 HydrophobicContact CB-CB 4.5Å; L39-L60 HydrophobicContact CB-CD1 4.43Å; L39-L60 HydrophobicContact CD1-CB 4.4Å; L39-L60 HydrophobicContact CD1-CD1 4.46Å; L39-M63 HydrophobicContact CD1-SD 4.49Å |
| 40 | L | 93.8 | Very high | 90.4 | Very high | 7 Ų | 7 | 57.2 Ų | 57.2 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -61.5 | -39.6 | 176.8 | -173.7 | 59.1 | 0 | 0 | 0 | 112.4 | A36 P37 T38 I43 V44 L60 H95 I96 L111 | A36-L40 PolarHBondContact O-N 2.85Å; A36-L40 VanDerWaalsContact O-N 3.16Å; P37-L40 PolarHBondContact O-N 3.18Å; T38-L40 VanDerWaalsContact C-N 3.33Å; T38-L40 PolarHBondContact O-N 3.1Å; L40-I43 PolarHBondContact O-N 2.89Å; L40-V44 HydrophobicContact CD1-CG2 4.3Å; L40-V44 WeakPolarHBondContact O-CG2 3.31Å; L40-V44 PolarHBondContact O-N 3.48Å; L40-V44 VanDerWaalsContact O-N 3.13Å; L40-L60 HydrophobicContact CB-CD2 4.18Å; L40-L60 HydrophobicContact CD1-CD2 4.17Å; L40-H95 HydrophobicContact CD2-CB 3.86Å; L40-I96 HydrophobicContact CD1-CD1 4.01Å; L40-L111 HydrophobicContact CD1-CD2 4.09Å |
| 41 | Q | 93.5 | Very high | 90.8 | Very high | 118 Ų | 118 | 58.6 Ų | 58.6 | 55% | 0.551 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -62.3 | -42.5 | 174.3 | -68.9 | 174 | 5 | 0 | 0 | 112.2 | P37 T38 L39 V44 S45 | P37-Q41 WeakPolarHBondContact O-CG 3.44Å; P37-Q41 PolarHBondContact O-N 3.1Å; T38-Q41 WeakPolarHBondContact O-CB 3.39Å; T38-Q41 PolarHBondContact O-N 3.44Å; L39-Q41 VanDerWaalsContact C-N 3.32Å; L39-Q41 PolarHBondContact O-N 3.33Å; Q41-V44 PolarHBondContact O-N 3.15Å; Q41-S45 WeakPolarHBondContact O-CB 3.12Å; Q41-S45 PolarHBondContact O-N 3.37Å |
| 42 | I | 93.4 | Very high | 91.2 | Very high | 5 Ų | 5 | 52.6 Ų | 52.6 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.9 | -44 | 176.1 | -68.4 | 164.6 | 0 | 0 | 0 | 110.5 | P3 I6 I7 T38 L39 V44 S45 V48 A56 | P3-I42 HydrophobicContact CB-CD1 4.5Å; P3-I42 HydrophobicContact CB-CG1 4.49Å; I6-I42 HydrophobicContact CB-CD1 3.87Å; I6-I42 HydrophobicContact CD1-CD1 4.26Å; I6-I42 HydrophobicContact CG2-CD1 3.9Å; I7-I42 HydrophobicContact CD1-CG1 4.3Å; I7-I42 HydrophobicContact CG1-CD1 3.95Å; I7-I42 HydrophobicContact CG1-CG1 4.09Å; I7-I42 HydrophobicContact CG1-CG2 4.05Å; T38-I42 HydrophobicContact CG2-CD1 4.19Å; T38-I42 WeakPolarHBondContact O-CG1 3.12Å; T38-I42 PolarHBondContact O-N 2.96Å; L39-I42 PolarHBondContact O-N 3.21Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 3.25Å; I42-S45 PolarHBondContact O-N 2.81Å; I42-V48 HydrophobicContact CG2-CG1 4.15Å; I42-V48 HydrophobicContact CG2-CG2 4.35Å; I42-A56 HydrophobicContact CG2-CB 4.2Å |
| 43 | I | 94 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.3 | -42.5 | -179.6 | -67.9 | 160.9 | 0 | 0 | 0 | 111.7 | L39 L40 R53 A56 A57 L60 I107 L111 | L39-I43 WeakPolarHBondContact O-CD1 3.37Å; L39-I43 WeakPolarHBondContact O-CG1 3.26Å; L39-I43 PolarHBondContact O-N 3.35Å; L40-I43 PolarHBondContact O-N 2.89Å; I43-R53 PolarHBondContact O-NE 2.88Å; I43-R53 PolarHBondContact O-NH2 3.13Å; I43-R53 VanDerWaalsContact O-NH2 3.07Å; I43-A56 HydrophobicContact CD1-CB 4.22Å; I43-A56 HydrophobicContact CG1-CB 3.55Å; I43-A57 VanDerWaalsContact CD1-CA 3.47Å; I43-A57 HydrophobicContact CD1-CB 3.96Å; I43-A57 HydrophobicContact CG1-CB 4.09Å; I43-A57 HydrophobicContact CG2-CB 4.28Å; I43-L60 HydrophobicContact CD1-CB 4.05Å; I43-L60 HydrophobicContact CD1-CD2 3.65Å; I43-I107 HydrophobicContact CG2-CG2 3.36Å; I43-L111 HydrophobicContact CD1-CD2 4.2Å; I43-L111 HydrophobicContact CG2-CD1 4.15Å; I43-L111 HydrophobicContact CG2-CD2 4.26Å; I43-L111 HydrophobicContact CG2-CG 4.48Å |
| 44 | V | 91.8 | Very high | 91.8 | Very high | 38 Ų | 38 | 48.8 Ų | 48.8 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -82.7 | -19.5 | -176.3 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | L40 Q41 I42 E46 | L40-V44 HydrophobicContact CD1-CG2 4.3Å; L40-V44 WeakPolarHBondContact O-CG2 3.31Å; L40-V44 PolarHBondContact O-N 3.48Å; L40-V44 VanDerWaalsContact O-N 3.13Å; Q41-V44 PolarHBondContact O-N 3.15Å; I42-V44 VanDerWaalsContact C-N 3.33Å; I42-V44 PolarHBondContact O-N 3.25Å; V44-E46 PolarHBondContact O-N 3.14Å |
| 45 | S | 91.8 | Very high | 92 | Very high | 39 Ų | 39 | 47 Ų | 47 | 27% | 0.273 | 24% | 0.236 | S | C | . | . | trans | -70.3 | 119.7 | -179.4 | -176.4 | 0 | 0 | 0 | 0 | 112.5 | Q41 I42 Q47 V48 R53 | Q41-S45 WeakPolarHBondContact O-CB 3.12Å; Q41-S45 PolarHBondContact O-N 3.37Å; I42-S45 PolarHBondContact O-N 2.81Å; S45-Q47 PolarHBondContact O-N 3.3Å; S45-Q47 PolarHBondContact OG-N 3.3Å; S45-V48 PolarHBondContact O-N 3.22Å; S45-R53 WeakPolarHBondContact O-CD 3.38Å; S45-R53 PolarHBondContact O-NE 3.32Å | ||
| 46 | E | 87.6 | Confident | 92.1 | Very high | 169 Ų | 169 | 47 Ų | 47 | 79% | 0.79 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.2 | -13.2 | 174.4 | -65.2 | -179.5 | 176.4 | 0 | 0 | 113.3 | V44 V48 | V44-E46 PolarHBondContact O-N 3.14Å; E46-V48 PolarHBondContact O-N 3.33Å |
| 47 | Q | 89.4 | Confident | 92.2 | Very high | 188 Ų | 188 | 47 Ų | 47 | 88% | 0.879 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77 | -12.8 | 177.6 | -61.8 | -178.7 | -11.2 | 0 | 0 | 112.8 | S45 | S45-Q47 PolarHBondContact O-N 3.3Å; S45-Q47 PolarHBondContact OG-N 3.3Å |
| 48 | V | 90.8 | Very high | 92.1 | Very high | 19 Ų | 19 | 49.8 Ų | 49.8 | 12% | 0.115 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -96.2 | 138.4 | 179.8 | -176.9 | 0 | 0 | 0 | 0 | 109.7 | I7 I42 S45 E46 V52 R53 | I7-V48 HydrophobicContact CD1-CG2 3.85Å; I42-V48 HydrophobicContact CG2-CG1 4.15Å; I42-V48 HydrophobicContact CG2-CG2 4.35Å; S45-V48 PolarHBondContact O-N 3.22Å; E46-V48 PolarHBondContact O-N 3.33Å; V48-V52 HydrophobicContact CG1-CB 3.85Å; V48-V52 HydrophobicContact CG1-CG1 3.91Å; V48-R53 HydrophobicContact CB-CG 3.85Å; V48-R53 HydrophobicContact CG1-CG 3.87Å; V48-R53 WeakPolarHBondContact O-CD 3.27Å |
| 49 | E | 91.6 | Very high | 92.1 | Very high | 115 Ų | 115 | 51.7 Ų | 51.7 | 54% | 0.537 | 26% | 0.257 | S | S | . | . | trans | -57.7 | 140 | 177.2 | -71.6 | 162 | -156 | 0 | 0 | 111.9 | K11 V52 R53 | K11-E49 WeakPolarHBondContact CE-OE2 3.48Å; K11-E49 IonicContact NZ-OE1 3.07Å; K11-E49 PolarHBondContact NZ-OE1 3.01Å; K11-E49 IonicContact NZ-OE2 3.88Å; K11-E49 PolarHBondContact NZ-OE2 3.33Å; E49-V52 HydrophobicContact CB-CG2 4.29Å; E49-V52 WeakPolarHBondContact O-CB 3.29Å; E49-V52 PolarHBondContact O-N 3.3Å; E49-V52 VanDerWaalsContact O-N 3.12Å; E49-R53 PolarHBondContact O-N 3.01Å; E49-R53 VanDerWaalsContact O-N 3.13Å | ||
| 50 | F | 91 | Very high | 92.1 | Very high | 92 Ų | 92 | 51.7 Ų | 51.7 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -54.7 | -45.2 | -174.7 | 174.9 | -90.5 | 0 | 0 | 0 | 114.8 | V52 R53 Q54 P104 S106 I107 | F50-V52 PolarHBondContact O-N 2.89Å; F50-R53 WeakPolarHBondContact O-CB 3.47Å; F50-R53 PolarHBondContact O-N 3.41Å; F50-R53 VanDerWaalsContact O-N 3.13Å; F50-Q54 VanDerWaalsContact CE1-OE1 3.29Å; F50-Q54 PolarHBondContact O-N 3.45Å; F50-P104 HydrophobicContact CD2-CG 4.22Å; F50-P104 HydrophobicContact CE2-CB 4.41Å; F50-P104 HydrophobicContact CE2-CG 3.72Å; F50-S106 WeakPolarHBondContact CE2-OG 3.39Å; F50-S106 WeakPolarHBondContact CZ-OG 3.45Å; F50-I107 HydrophobicContact CD2-CD1 4.44Å; F50-I107 HydrophobicContact CE2-CD1 4.41Å |
| 51 | P | 91.9 | Very high | 92.1 | Very high | 68 Ų | 68 | 53.8 Ų | 53.8 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.7 | -37.8 | 178.5 | -26.4 | 36.1 | 0 | 0 | 0 | 113.1 | I14 Q54 A55 | I14-P51 HydrophobicContact CD1-CB 3.85Å; P51-Q54 PolarHBondContact O-N 2.97Å; P51-A55 PolarHBondContact O-N 2.97Å |
| 52 | V | 92.4 | Very high | 92 | Very high | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.012 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.2 | -41.1 | 178.3 | -173.5 | 0 | 0 | 0 | 0 | 111.1 | I7 L10 K11 V48 E49 F50 Q54 A55 A56 | I7-V52 HydrophobicContact CG2-CG1 4.28Å; L10-V52 HydrophobicContact CB-CG1 3.77Å; L10-V52 HydrophobicContact CD1-CG1 4.27Å; K11-V52 HydrophobicContact CB-CG2 4.48Å; K11-V52 HydrophobicContact CD-CG2 4.19Å; K11-V52 HydrophobicContact CG-CG1 4.44Å; K11-V52 HydrophobicContact CG-CG2 3.31Å; V48-V52 HydrophobicContact CG1-CB 3.85Å; V48-V52 HydrophobicContact CG1-CG1 3.91Å; E49-V52 HydrophobicContact CB-CG2 4.29Å; E49-V52 WeakPolarHBondContact O-CB 3.29Å; E49-V52 PolarHBondContact O-N 3.3Å; E49-V52 VanDerWaalsContact O-N 3.12Å; F50-V52 PolarHBondContact O-N 2.89Å; V52-Q54 VanDerWaalsContact C-N 3.28Å; V52-Q54 PolarHBondContact O-N 3.26Å; V52-A55 PolarHBondContact O-N 3.33Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3Å |
| 53 | R | 94.2 | Very high | 91.8 | Very high | 26 Ų | 26 | 51.6 Ų | 51.6 | 10% | 0.098 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.3 | -64.7 | 171.5 | 59.8 | -172.8 | 3.6 | 111.5 | I43 S45 V48 E49 F50 A57 I107 | I43-R53 PolarHBondContact O-NE 2.88Å; I43-R53 PolarHBondContact O-NH2 3.13Å; I43-R53 VanDerWaalsContact O-NH2 3.07Å; S45-R53 WeakPolarHBondContact O-CD 3.38Å; S45-R53 PolarHBondContact O-NE 3.32Å; V48-R53 HydrophobicContact CB-CG 3.85Å; V48-R53 HydrophobicContact CG1-CG 3.87Å; V48-R53 WeakPolarHBondContact O-CD 3.27Å; E49-R53 PolarHBondContact O-N 3.01Å; E49-R53 VanDerWaalsContact O-N 3.13Å; F50-R53 WeakPolarHBondContact O-CB 3.47Å; F50-R53 PolarHBondContact O-N 3.41Å; F50-R53 VanDerWaalsContact O-N 3.13Å; R53-A57 WeakPolarHBondContact O-CB 3.41Å; R53-A57 PolarHBondContact O-N 3.3Å; R53-I107 HydrophobicContact CB-CD1 3.64Å |
| 54 | Q | 91.2 | Very high | 91.7 | Very high | 66 Ų | 66 | 51.7 Ų | 51.7 | 31% | 0.308 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -68 | -45.4 | 175.8 | -175 | 171 | -6.8 | 0 | 0 | 111.8 | F50 P51 V52 A56 A57 I58 | F50-Q54 VanDerWaalsContact CE1-OE1 3.29Å; F50-Q54 PolarHBondContact O-N 3.45Å; P51-Q54 PolarHBondContact O-N 2.97Å; V52-Q54 VanDerWaalsContact C-N 3.28Å; V52-Q54 PolarHBondContact O-N 3.26Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.41Å; Q54-A57 PolarHBondContact O-N 3.15Å; Q54-A57 VanDerWaalsContact O-N 3.17Å; Q54-I58 HydrophobicContact CG-CD1 4.24Å; Q54-I58 WeakPolarHBondContact O-CG1 3.39Å; Q54-I58 PolarHBondContact O-N 3.39Å |
| 55 | A | 91.4 | Very high | 91.6 | Very high | 20 Ų | 20 | 53.2 Ų | 53.2 | 17% | 0.165 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.8 | -44.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | L10 I14 P51 V52 A57 I58 Y59 | L10-A55 HydrophobicContact CD2-CB 4.35Å; I14-A55 HydrophobicContact CD1-CB 4.24Å; I14-A55 HydrophobicContact CG1-CB 4.46Å; P51-A55 PolarHBondContact O-N 2.97Å; V52-A55 PolarHBondContact O-N 3.33Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 2.98Å; A55-I58 PolarHBondContact O-N 3.22Å; A55-Y59 WeakPolarHBondContact O-CB 3.43Å; A55-Y59 PolarHBondContact O-N 2.88Å |
| 56 | A | 93.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -42.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L10 L39 I42 I43 V52 Q54 Y59 L60 | L10-A56 HydrophobicContact CD1-CB 3.67Å; L39-A56 HydrophobicContact CD2-CB 4.36Å; I42-A56 HydrophobicContact CG2-CB 4.2Å; I43-A56 HydrophobicContact CD1-CB 4.22Å; I43-A56 HydrophobicContact CG1-CB 3.55Å; V52-A56 WeakPolarHBondContact O-CB 3.38Å; V52-A56 PolarHBondContact O-N 3Å; Q54-A56 VanDerWaalsContact C-N 3.34Å; Q54-A56 PolarHBondContact O-N 3.41Å; A56-Y59 PolarHBondContact O-N 3.06Å; A56-L60 WeakPolarHBondContact O-CB 3.21Å; A56-L60 PolarHBondContact O-N 2.99Å |
| 57 | A | 93.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -67.6 | -39 | -180 | 0 | 0 | 0 | 0 | 0 | 112.6 | I43 R53 Q54 A55 K61 I107 Q110 | I43-A57 VanDerWaalsContact CD1-CA 3.47Å; I43-A57 HydrophobicContact CD1-CB 3.96Å; I43-A57 HydrophobicContact CG1-CB 4.09Å; I43-A57 HydrophobicContact CG2-CB 4.28Å; R53-A57 WeakPolarHBondContact O-CB 3.41Å; R53-A57 PolarHBondContact O-N 3.3Å; Q54-A57 PolarHBondContact O-N 3.15Å; Q54-A57 VanDerWaalsContact O-N 3.17Å; A55-A57 VanDerWaalsContact C-N 3.32Å; A55-A57 PolarHBondContact O-N 2.98Å; A57-K61 WeakPolarHBondContact O-CB 3.44Å; A57-K61 PolarHBondContact O-N 3.22Å; A57-I107 HydrophobicContact CB-CG2 4.12Å; A57-Q110 HydrophobicContact CB-CB 3.92Å; A57-Q110 HydrophobicContact CB-CG 4.27Å |
| 58 | I | 91.3 | Very high | 91.4 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 33% | 0.328 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.9 | -45.4 | 174 | -65.7 | 166.4 | 0 | 0 | 0 | 110.1 | Q54 A55 K61 N62 Q110 | Q54-I58 HydrophobicContact CG-CD1 4.24Å; Q54-I58 WeakPolarHBondContact O-CG1 3.39Å; Q54-I58 PolarHBondContact O-N 3.39Å; A55-I58 PolarHBondContact O-N 3.22Å; I58-K61 WeakPolarHBondContact O-CB 3.35Å; I58-K61 PolarHBondContact O-N 2.88Å; I58-N62 PolarHBondContact O-N 2.65Å; I58-N62 PolarHBondContact O-OD1 3.25Å; I58-Q110 HydrophobicContact CG1-CG 4.09Å |
| 59 | Y | 92.7 | Very high | 91.2 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 20% | 0.196 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.2 | -47.5 | 178 | -162.6 | -75.7 | 0 | 0 | 0 | 111.4 | L26 F35 L39 A55 A56 K61 N62 M63 | L26-Y59 HydrophobicContact CB-CE2 3.88Å; L26-Y59 HydrophobicContact CD1-CD2 4.07Å; L26-Y59 HydrophobicContact CD1-CE2 3.88Å; L26-Y59 HydrophobicContact CG-CE2 4.4Å; F35-Y59 HydrophobicContact CE1-CD1 4.14Å; F35-Y59 AromaticContact CE1-CE1 3.62Å; F35-Y59 HydrophobicContact CE1-CE1 3.62Å; F35-Y59 HydrophobicContact CZ-CD1 4.48Å; F35-Y59 AromaticContact CZ-CE1 3.97Å; F35-Y59 HydrophobicContact CZ-CE1 3.97Å; L39-Y59 HydrophobicContact CD1-CD1 3.71Å; L39-Y59 HydrophobicContact CD1-CE1 4.39Å; A55-Y59 WeakPolarHBondContact O-CB 3.43Å; A55-Y59 PolarHBondContact O-N 2.88Å; A56-Y59 PolarHBondContact O-N 3.06Å; Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 2.97Å; Y59-N62 PolarHBondContact O-N 2.98Å; Y59-M63 HydrophobicContact CE1-SD 4.46Å; Y59-M63 WeakPolarHBondContact O-CB 3.3Å; Y59-M63 PolarHBondContact O-N 3.17Å |
| 60 | L | 94 | Very high | 90.6 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 177.5 | -178 | 63.5 | 0 | 0 | 0 | 111.4 | A36 L39 L40 I43 A56 M63 V64 I92 L111 | A36-L60 HydrophobicContact CB-CD1 4.11Å; L39-L60 HydrophobicContact CB-CB 4.5Å; L39-L60 HydrophobicContact CB-CD1 4.43Å; L39-L60 HydrophobicContact CD1-CB 4.4Å; L39-L60 HydrophobicContact CD1-CD1 4.46Å; L40-L60 HydrophobicContact CB-CD2 4.18Å; L40-L60 HydrophobicContact CD1-CD2 4.17Å; I43-L60 HydrophobicContact CD1-CB 4.05Å; I43-L60 HydrophobicContact CD1-CD2 3.65Å; A56-L60 WeakPolarHBondContact O-CB 3.21Å; A56-L60 PolarHBondContact O-N 2.99Å; L60-M63 PolarHBondContact O-N 2.98Å; L60-V64 HydrophobicContact CD1-CG2 4.11Å; L60-V64 HydrophobicContact CG-CG2 4.36Å; L60-V64 WeakPolarHBondContact O-CB 3.36Å; L60-V64 VanDerWaalsContact O-CG2 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.32Å; L60-V64 PolarHBondContact O-N 2.95Å; L60-I92 HydrophobicContact CD1-CD1 4.47Å; L60-L111 HydrophobicContact CD2-CD2 4.3Å |
| 61 | K | 93.8 | Very high | 89.8 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 22% | 0.217 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.1 | -48.9 | 175.2 | 179.4 | -161.1 | 68.5 | -174.1 | 0 | 111.9 | A57 I58 Y59 M63 V64 S65 Q110 M113 C114 | A57-K61 WeakPolarHBondContact O-CB 3.44Å; A57-K61 PolarHBondContact O-N 3.22Å; I58-K61 WeakPolarHBondContact O-CB 3.35Å; I58-K61 PolarHBondContact O-N 2.88Å; Y59-K61 VanDerWaalsContact C-N 3.31Å; Y59-K61 PolarHBondContact O-N 2.97Å; K61-M63 VanDerWaalsContact C-N 3.32Å; K61-M63 PolarHBondContact O-N 3.46Å; K61-V64 PolarHBondContact O-N 3.15Å; K61-S65 VanDerWaalsContact O-CB 3.31Å; K61-S65 WeakPolarHBondContact O-CB 3.46Å; K61-S65 PolarHBondContact O-N 2.95Å; K61-S65 PolarHBondContact O-OG 2.85Å; K61-Q110 VanDerWaalsContact CD-OE1 3.3Å; K61-M113 HydrophobicContact CD-CB 3.89Å; K61-M113 HydrophobicContact CD-CG 4.41Å; K61-M113 HydrophobicContact CG-CB 3.96Å; K61-C114 WeakPolarHBondContact CA-SG 3.26Å |
| 62 | N | 90.1 | Very high | 88.6 | Confident | 73 Ų | 73 | 50 Ų | 50 | 39% | 0.39 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.2 | -42.7 | -179.7 | -66.1 | -7.8 | 0 | 0 | 0 | 110.6 | I58 Y59 S65 Q66 | I58-N62 PolarHBondContact O-N 2.65Å; I58-N62 PolarHBondContact O-OD1 3.25Å; Y59-N62 PolarHBondContact O-N 2.98Å; N62-S65 PolarHBondContact O-N 3.36Å; N62-Q66 WeakPolarHBondContact O-CB 3.27Å; N62-Q66 WeakPolarHBondContact O-CG 3.05Å; N62-Q66 PolarHBondContact O-N 3Å |
| 63 | M | 90.8 | Very high | 87.3 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.025 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.1 | -46 | 178.2 | -169.1 | -178.8 | 171 | 0 | 0 | 112.5 | Y30 F35 A36 L39 Y59 L60 K61 Q66 Y67 F82 I84 | Y30-M63 WeakPolarHBondContact O-CE 3.17Å; F35-M63 HydrophobicContact CD1-CE 4.02Å; F35-M63 HydrophobicContact CD1-SD 3.78Å; F35-M63 HydrophobicContact CE1-SD 3.95Å; A36-M63 HydrophobicContact CB-CE 3.82Å; A36-M63 HydrophobicContact CB-SD 3.92Å; L39-M63 HydrophobicContact CD1-SD 4.49Å; Y59-M63 HydrophobicContact CE1-SD 4.46Å; Y59-M63 WeakPolarHBondContact O-CB 3.3Å; Y59-M63 PolarHBondContact O-N 3.17Å; L60-M63 PolarHBondContact O-N 2.98Å; K61-M63 VanDerWaalsContact C-N 3.32Å; K61-M63 PolarHBondContact O-N 3.46Å; M63-Q66 PolarHBondContact O-N 2.75Å; M63-Y67 HydrophobicContact CB-CD2 4.44Å; M63-Y67 HydrophobicContact CG-CD2 3.84Å; M63-Y67 HydrophobicContact CG-CE2 4.46Å; M63-Y67 WeakPolarHBondContact O-CB 3.32Å; M63-Y67 WeakPolarHBondContact O-CD2 3.41Å; M63-Y67 PolarHBondContact O-N 2.91Å; M63-F82 HydrophobicContact CE-CE1 4.07Å; M63-F82 HydrophobicContact CE-CZ 4.19Å; M63-I84 HydrophobicContact CE-CD1 4.29Å; M63-I84 HydrophobicContact CE-CG1 4.04Å; M63-I84 HydrophobicContact CG-CD1 4.17Å |
| 64 | V | 92.1 | Very high | 85.7 | Confident | 2 Ų | 2 | 53.8 Ų | 53.8 | 1% | 0.012 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.8 | -43.2 | 175.8 | 170.3 | 0 | 0 | 0 | 0 | 110.5 | L60 K61 Q66 W68 I84 C114 A117 I118 | L60-V64 HydrophobicContact CD1-CG2 4.11Å; L60-V64 HydrophobicContact CG-CG2 4.36Å; L60-V64 WeakPolarHBondContact O-CB 3.36Å; L60-V64 VanDerWaalsContact O-CG2 3.3Å; L60-V64 WeakPolarHBondContact O-CG2 3.32Å; L60-V64 PolarHBondContact O-N 2.95Å; K61-V64 PolarHBondContact O-N 3.15Å; V64-Q66 VanDerWaalsContact C-N 3.29Å; V64-Q66 PolarHBondContact O-N 3.15Å; V64-W68 HydrophobicContact CB-CE3 4.34Å; V64-W68 HydrophobicContact CG1-CB 4.11Å; V64-W68 HydrophobicContact CG1-CD2 4.18Å; V64-W68 HydrophobicContact CG1-CE3 3.86Å; V64-W68 HydrophobicContact CG1-CG 4.3Å; V64-W68 HydrophobicContact CG2-CE3 3.96Å; V64-W68 HydrophobicContact CG2-CZ3 4.24Å; V64-W68 WeakPolarHBondContact O-CB 3.3Å; V64-W68 PolarHBondContact O-N 3.08Å; V64-W68 VanDerWaalsContact O-N 3.14Å; V64-I84 HydrophobicContact CG2-CD1 4.48Å; V64-C114 HydrophobicContact CG1-CB 4.48Å; V64-A117 HydrophobicContact CG1-CB 3.92Å; V64-I118 HydrophobicContact CG1-CD1 4.48Å; V64-I118 HydrophobicContact CG1-CG1 3.92Å |
| 65 | S | 87.8 | Confident | 83.6 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 48% | 0.483 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.9 | -34.8 | -178.3 | -55 | 0 | 0 | 0 | 0 | 112.3 | K61 N62 | K61-S65 VanDerWaalsContact O-CB 3.31Å; K61-S65 WeakPolarHBondContact O-CB 3.46Å; K61-S65 PolarHBondContact O-N 2.95Å; K61-S65 PolarHBondContact O-OG 2.85Å; N62-S65 PolarHBondContact O-N 3.36Å |
| 66 | Q | 86.6 | Confident | 82 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 42% | 0.421 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -84.7 | -44.3 | -179.1 | -70.3 | 176.5 | -6 | 0 | 0 | 113 | N62 M63 V64 R71 | N62-Q66 WeakPolarHBondContact O-CB 3.27Å; N62-Q66 WeakPolarHBondContact O-CG 3.05Å; N62-Q66 PolarHBondContact O-N 3Å; M63-Q66 PolarHBondContact O-N 2.75Å; V64-Q66 VanDerWaalsContact C-N 3.29Å; V64-Q66 PolarHBondContact O-N 3.15Å; Q66-R71 VanDerWaalsContact O-CZ 3.23Å; Q66-R71 PolarHBondContact O-NE 3.13Å; Q66-R71 PolarHBondContact O-NH2 3.35Å |
| 67 | Y | 89.3 | Confident | 80.1 | Confident | 53 Ų | 53 | 67 Ų | 67 | 21% | 0.208 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -116.6 | 8.3 | -162.7 | -50.1 | -63.5 | 0 | 0 | 0 | 114.6 | Y30 M63 F82 I84 | Y30-Y67 HydrophobicContact CD2-CE2 4.26Å; Y30-Y67 HydrophobicContact CE2-CE2 4.15Å; M63-Y67 HydrophobicContact CB-CD2 4.44Å; M63-Y67 HydrophobicContact CG-CD2 3.84Å; M63-Y67 HydrophobicContact CG-CE2 4.46Å; M63-Y67 WeakPolarHBondContact O-CB 3.32Å; M63-Y67 WeakPolarHBondContact O-CD2 3.41Å; M63-Y67 PolarHBondContact O-N 2.91Å; Y67-F82 AromaticContact CD1-CD1 3.75Å; Y67-F82 HydrophobicContact CD1-CD1 3.75Å; Y67-F82 WeakPolarHBondContact CD1-O 3.17Å; Y67-F82 HydrophobicContact CD2-CD1 4.07Å; Y67-F82 HydrophobicContact CD2-CE1 4.16Å; Y67-F82 HydrophobicContact CE1-CD1 4.18Å; Y67-F82 AromaticContact CG-CD1 3.67Å; Y67-F82 HydrophobicContact CG-CD1 3.67Å; Y67-F82 HydrophobicContact CG-CE1 4.03Å; Y67-I84 PolarHBondContact O-N 2.98Å |
| 68 | W | 90.3 | Very high | 78.3 | Confident | 3 Ų | 3 | 73.7 Ų | 73.7 | 1% | 0.011 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -81.1 | -37.6 | 176.6 | -162.8 | -83.2 | 0 | 0 | 0 | 113.5 | V64 I84 R89 I92 R93 I118 D122 | V64-W68 HydrophobicContact CB-CE3 4.34Å; V64-W68 HydrophobicContact CG1-CB 4.11Å; V64-W68 HydrophobicContact CG1-CD2 4.18Å; V64-W68 HydrophobicContact CG1-CE3 3.86Å; V64-W68 HydrophobicContact CG1-CG 4.3Å; V64-W68 HydrophobicContact CG2-CE3 3.96Å; V64-W68 HydrophobicContact CG2-CZ3 4.24Å; V64-W68 WeakPolarHBondContact O-CB 3.3Å; V64-W68 PolarHBondContact O-N 3.08Å; V64-W68 VanDerWaalsContact O-N 3.14Å; W68-I84 HydrophobicContact CE3-CD1 3.95Å; W68-R89 HydrophobicContact CD2-CG 4.27Å; W68-R89 HydrophobicContact CE3-CG 4.11Å; W68-R89 VanDerWaalsContact CH2-CA 3.45Å; W68-R89 HydrophobicContact CH2-CB 3.54Å; W68-R89 HydrophobicContact CH2-CG 3.72Å; W68-R89 HydrophobicContact CZ2-CB 3.67Å; W68-R89 HydrophobicContact CZ2-CG 3.83Å; W68-R89 HydrophobicContact CZ3-CB 4.14Å; W68-R89 HydrophobicContact CZ3-CG 3.85Å; W68-R89 PolarHBondContact O-NH2 3.01Å; W68-I92 HydrophobicContact CH2-CB 4.06Å; W68-I92 HydrophobicContact CH2-CD1 4.46Å; W68-I92 HydrophobicContact CH2-CG2 4.05Å; W68-I92 HydrophobicContact CZ3-CB 4.22Å; W68-I92 HydrophobicContact CZ3-CD1 3.84Å; W68-I92 HydrophobicContact CZ3-CG2 4.09Å; W68-R93 HydrophobicContact CH2-CG 4.38Å; W68-R93 HydrophobicContact CZ2-CG 4.16Å; W68-I118 HydrophobicContact CD2-CG1 3.9Å; W68-I118 HydrophobicContact CE3-CG1 4.09Å; W68-I118 HydrophobicContact CH2-CD1 3.91Å; W68-I118 HydrophobicContact CH2-CG1 3.83Å; W68-I118 HydrophobicContact CH2-CG2 4.34Å; W68-I118 HydrophobicContact CZ2-CB 4.18Å; W68-I118 HydrophobicContact CZ2-CD1 4.19Å; W68-I118 HydrophobicContact CZ2-CG1 3.67Å; W68-I118 HydrophobicContact CZ2-CG2 3.6Å; W68-I118 HydrophobicContact CZ3-CD1 4.16Å; W68-I118 HydrophobicContact CZ3-CG1 4.05Å; W68-D122 WeakPolarHBondContact CZ2-OD2 3.5Å; W68-D122 PolarHBondContact NE1-OD1 3.47Å; W68-D122 PolarHBondContact NE1-OD2 3.37Å |
| 69 | Q | 85.7 | Confident | 76.9 | Confident | 105 Ų | 105 | 76 Ų | 76 | 49% | 0.491 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -71.9 | 131.8 | 172.4 | -177.5 | 174.8 | -3.6 | 0 | 0 | 109.3 | R71 N83 H121 | Q69-R71 PolarHBondContact O-N 3.5Å; Q69-N83 PolarHBondContact O-OD1 3.4Å; Q69-N83 VanDerWaalsContact O-OD1 3.1Å; Q69-H121 PolarHBondContact OE1-CE1 3.43Å |
| 70 | D | 80 | Confident | 75.5 | Confident | 72 Ų | 72 | 81.2 Ų | 81.2 | 39% | 0.385 | 44% | 0.441 | S | S | . | . | trans | -64.9 | 102.8 | 172.5 | -62.5 | -36.2 | 0 | 0 | 0 | 108.2 | R89 R126 | D70-R89 IonicContact OD1-CZ 2.71Å; D70-R89 VanDerWaalsContact OD1-CZ 3.25Å; D70-R89 IonicContact OD1-NH1 2.74Å; D70-R89 PolarHBondContact OD1-NH1 3.13Å; D70-R89 IonicContact OD1-NH2 3.17Å; D70-R89 PolarHBondContact OD1-NH2 3.08Å; D70-R89 IonicContact OD2-NH1 3.25Å; D70-R126 IonicContact OD2-CZ 3.78Å; D70-R126 IonicContact OD2-NH1 2.73Å; D70-R126 PolarHBondContact OD2-NH1 2.78Å; D70-R126 IonicContact OD2-NH2 3.91Å; D70-R126 PolarHBondContact OD2-NH2 3.38Å; D70-R126 VanDerWaalsContact OD2-NH2 3.07Å | ||
| 71 | R | 72.6 | Confident | 74.6 | Confident | 125 Ų | 125 | 83.3 Ų | 83.3 | 47% | 0.472 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -86.3 | 134.6 | 176.4 | -64.8 | -177.7 | -170.7 | -157.1 | -3.2 | 109.9 | Q66 Q69 P81 N83 | Q66-R71 VanDerWaalsContact O-CZ 3.23Å; Q66-R71 PolarHBondContact O-NE 3.13Å; Q66-R71 PolarHBondContact O-NH2 3.35Å; Q69-R71 PolarHBondContact O-N 3.5Å; R71-P81 HydrophobicContact CB-CB 4.05Å; R71-P81 HydrophobicContact CB-CG 3.39Å; R71-P81 VanDerWaalsContact O-CG 3.23Å; R71-P81 WeakPolarHBondContact O-CG 3.31Å; R71-N83 PolarHBondContact N-OD1 3.19Å |
| 72 | E | 68.3 | Low | 74 | Confident | 176 Ų | 176 | 83.1 Ų | 83.1 | 82% | 0.822 | 45% | 0.454 | S | S | * | . | P | Polyproline II helix | trans | -88.8 | 152.2 | 168.9 | -67.5 | -173.2 | 172.7 | 0 | 0 | 109.7 | ||
| 73 | P | 64.2 | Low | 73.9 | Confident | 40 Ų | 40 | 81.7 Ų | 81.7 | 26% | 0.26 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 142.3 | 172.6 | 26.1 | -31.7 | 0 | 0 | 0 | 110.5 | E77 F80 | P73-E77 HydrophobicContact CB-CB 4.47Å; P73-E77 WeakPolarHBondContact CB-O 3.43Å; P73-F80 HydrophobicContact CG-CD1 4.35Å; P73-F80 HydrophobicContact CG-CE1 4.21Å |
| 74 | S | 59.9 | Low | 73.7 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 46% | 0.462 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 152.5 | 172.9 | 55 | 0 | 0 | 0 | 0 | 110.2 | G76 E77 | S74-G76 PolarHBondContact O-N 3.38Å; S74-E77 PolarHBondContact O-N 3.41Å; S74-E77 VanDerWaalsContact OG-CG 3.3Å; S74-E77 WeakPolarHBondContact OG-CG 3.4Å; S74-E77 PolarHBondContact OG-OE2 2.88Å; S74-E77 VanDerWaalsContact OG-OE2 3.05Å |
| 75 | V | 48.4 | Very low | 73.7 | Confident | 164 Ų | 164 | 86.3 Ų | 86.3 | 99% | 0.994 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 103.8 | -176.8 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 76 | G | 57.4 | Low | 73.8 | Confident | 78 Ų | 78 | 86.6 Ų | 86.6 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 119.3 | -16.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | S74 | S74-G76 PolarHBondContact O-N 3.38Š|
| 77 | E | 54.5 | Low | 74 | Confident | 123 Ų | 123 | 86.3 Ų | 86.3 | 58% | 0.575 | 46% | 0.463 | S | S | * | . | trans | -88.9 | 132.4 | 173.3 | -76.2 | -173.1 | 162.2 | 0 | 0 | 111.7 | P73 S74 | P73-E77 HydrophobicContact CB-CB 4.47Å; P73-E77 WeakPolarHBondContact CB-O 3.43Å; S74-E77 PolarHBondContact O-N 3.41Å; S74-E77 VanDerWaalsContact OG-CG 3.3Å; S74-E77 WeakPolarHBondContact OG-CG 3.4Å; S74-E77 PolarHBondContact OG-OE2 2.88Å; S74-E77 VanDerWaalsContact OG-OE2 3.05Å | ||
| 78 | V | 54.2 | Low | 74.2 | Confident | 139 Ų | 139 | 84 Ų | 84 | 84% | 0.842 | 45% | 0.454 | S | S | * | . | trans | -90.4 | -9.9 | 178.4 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 79 | V | 61.8 | Low | 74.3 | Confident | 114 Ų | 114 | 84.2 Ų | 84.2 | 69% | 0.691 | 46% | 0.455 | S | S | * | . | S | Bend | trans | -95.6 | 115.5 | -173 | -175.8 | 0 | 0 | 0 | 0 | 110 | ||
| 80 | F | 63.4 | Low | 74.7 | Confident | 159 Ų | 159 | 82.4 Ų | 82.4 | 70% | 0.697 | 45% | 0.446 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 128.2 | 171.3 | -78.2 | -87.9 | 0 | 0 | 0 | 110.3 | P73 | P73-F80 HydrophobicContact CG-CD1 4.35Å; P73-F80 HydrophobicContact CG-CE1 4.21Å |
| 81 | P | 74.5 | Confident | 75.3 | Confident | 44 Ų | 44 | 81.3 Ų | 81.3 | 29% | 0.286 | 44% | 0.439 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 148.1 | 173.6 | 26.3 | -33.8 | 0 | 0 | 0 | 110.2 | R71 N83 | R71-P81 HydrophobicContact CB-CB 4.05Å; R71-P81 HydrophobicContact CB-CG 3.39Å; R71-P81 VanDerWaalsContact O-CG 3.23Å; R71-P81 WeakPolarHBondContact O-CG 3.31Å; P81-N83 PolarHBondContact O-N 2.91Å |
| 82 | F | 83.1 | Confident | 76.4 | Confident | 45 Ų | 45 | 75.4 Ų | 75.4 | 20% | 0.197 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 128.8 | 178.7 | 170.1 | -101.3 | 0 | 0 | 0 | 110.5 | Y30 K31 M63 Y67 I84 | Y30-F82 AromaticContact CD2-CD1 3.89Å; Y30-F82 HydrophobicContact CD2-CD1 3.89Å; Y30-F82 AromaticContact CD2-CE1 3.76Å; Y30-F82 HydrophobicContact CD2-CE1 3.76Å; Y30-F82 HydrophobicContact CD2-CZ 4.37Å; Y30-F82 HydrophobicContact CE2-CB 4.48Å; Y30-F82 AromaticContact CE2-CD1 3.58Å; Y30-F82 HydrophobicContact CE2-CD1 3.58Å; Y30-F82 AromaticContact CE2-CE1 3.96Å; Y30-F82 HydrophobicContact CE2-CE1 3.96Å; Y30-F82 HydrophobicContact CE2-CG 4.04Å; Y30-F82 WeakPolarHBondContact O-CZ 3.13Å; K31-F82 HydrophobicContact CB-CD2 4.11Å; K31-F82 HydrophobicContact CB-CE2 3.91Å; K31-F82 HydrophobicContact CD-CD2 4.3Å; K31-F82 HydrophobicContact CG-CD2 3.79Å; K31-F82 HydrophobicContact CG-CE2 4.01Å; K31-F82 HydrophobicContact CG-CG 4.17Å; M63-F82 HydrophobicContact CE-CE1 4.07Å; M63-F82 HydrophobicContact CE-CZ 4.19Å; Y67-F82 AromaticContact CD1-CD1 3.75Å; Y67-F82 HydrophobicContact CD1-CD1 3.75Å; Y67-F82 WeakPolarHBondContact CD1-O 3.17Å; Y67-F82 HydrophobicContact CD2-CD1 4.07Å; Y67-F82 HydrophobicContact CD2-CE1 4.16Å; Y67-F82 HydrophobicContact CE1-CD1 4.18Å; Y67-F82 AromaticContact CG-CD1 3.67Å; Y67-F82 HydrophobicContact CG-CD1 3.67Å; Y67-F82 HydrophobicContact CG-CE1 4.03Å; F82-I84 HydrophobicContact CE1-CG1 4.42Å |
| 83 | N | 86.4 | Confident | 77.6 | Confident | 44 Ų | 44 | 67.6 Ų | 67.6 | 24% | 0.235 | 38% | 0.379 | C | S | . | . | trans | -121.7 | 143.1 | 173.5 | -65.5 | -46 | 0 | 0 | 0 | 109.2 | Q69 R71 P81 H85 | Q69-N83 PolarHBondContact O-OD1 3.4Å; Q69-N83 VanDerWaalsContact O-OD1 3.1Å; R71-N83 PolarHBondContact N-OD1 3.19Å; P81-N83 PolarHBondContact O-N 2.91Å; N83-H85 PolarHBondContact O-N 3.22Å | ||
| 84 | I | 88.1 | Confident | 79 | Confident | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.015 | 38% | 0.382 | C | S | . | . | trans | -63.1 | 128.9 | 176 | -59.1 | 174.2 | 0 | 0 | 0 | 108.8 | M63 V64 Y67 W68 F82 D88 R89 | M63-I84 HydrophobicContact CE-CD1 4.29Å; M63-I84 HydrophobicContact CE-CG1 4.04Å; M63-I84 HydrophobicContact CG-CD1 4.17Å; V64-I84 HydrophobicContact CG2-CD1 4.48Å; Y67-I84 PolarHBondContact O-N 2.98Å; W68-I84 HydrophobicContact CE3-CD1 3.95Å; F82-I84 HydrophobicContact CE1-CG1 4.42Å; I84-D88 HydrophobicContact CG2-CB 3.83Å; I84-R89 HydrophobicContact CB-CG 4.15Å; I84-R89 HydrophobicContact CG2-CG 3.86Å; I84-R89 VanDerWaalsContact O-CZ 3.26Å; I84-R89 PolarHBondContact O-NE 3.34Å; I84-R89 PolarHBondContact O-NH2 3.16Å | ||
| 85 | H | 90.4 | Very high | 80.6 | Confident | 100 Ų | 100 | 70.5 Ų | 70.5 | 46% | 0.463 | 38% | 0.384 | S | S | . | . | trans | -61 | 141.7 | -178.3 | -171.2 | -84.9 | 0 | 0 | 0 | 111.9 | I33 N83 N87 D88 R89 | I33-H85 HydrophobicContact CG1-CB 4.37Å; N83-H85 PolarHBondContact O-N 3.22Å; H85-N87 VanDerWaalsContact C-N 3.3Å; H85-N87 WeakPolarHBondContact ND1-CB 3.36Å; H85-N87 PolarHBondContact ND1-N 3.02Å; H85-N87 PolarHBondContact O-N 3.13Å; H85-D88 WeakPolarHBondContact O-CA 3.43Å; H85-D88 WeakPolarHBondContact O-CB 3.36Å; H85-D88 PolarHBondContact O-N 3.18Å; H85-R89 PolarHBondContact O-N 3.44Å | ||
| 86 | E | 90.1 | Very high | 82.8 | Confident | 76 Ų | 76 | 62.7 Ų | 62.7 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -59.5 | -36.1 | -173.2 | -174.3 | 53.6 | -141.8 | 0 | 0 | 113.6 | D88 R89 Q90 R93 | E86-D88 VanDerWaalsContact C-N 3.28Å; E86-D88 PolarHBondContact O-N 3.1Å; E86-R89 WeakPolarHBondContact O-CB 3.32Å; E86-R89 PolarHBondContact O-N 2.8Å; E86-R89 WeakPolarHBondContact OE2-CD 3.35Å; E86-R89 IonicContact OE2-NH1 3.55Å; E86-Q90 PolarHBondContact O-N 3.44Å; E86-R93 IonicContact OE1-CZ 2.69Å; E86-R93 IonicContact OE1-NH2 3.5Å; E86-R93 PolarHBondContact OE1-NH2 3.42Å |
| 87 | N | 91.2 | Very high | 84.6 | Confident | 84 Ų | 84 | 59 Ų | 59 | 45% | 0.449 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60 | -37.1 | 173.4 | -172.2 | 45.1 | 0 | 0 | 0 | 113 | H85 Q91 | H85-N87 VanDerWaalsContact C-N 3.3Å; H85-N87 WeakPolarHBondContact ND1-CB 3.36Å; H85-N87 PolarHBondContact ND1-N 3.02Å; H85-N87 PolarHBondContact O-N 3.13Å; N87-Q91 WeakPolarHBondContact O-CG 3.5Å; N87-Q91 PolarHBondContact O-N 3.01Å |
| 88 | D | 92.8 | Very high | 86.4 | Confident | 5 Ų | 5 | 54.5 Ų | 54.5 | 3% | 0.027 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73 | -40.1 | 176.5 | -76.9 | 18.4 | 0 | 0 | 0 | 110.2 | N34 P37 I84 H85 E86 Q90 Q91 I92 | N34-D88 WeakPolarHBondContact CA-OD1 3.49Å; N34-D88 VanDerWaalsContact CA-OD2 3.32Å; N34-D88 WeakPolarHBondContact CA-OD2 3.43Å; N34-D88 VanDerWaalsContact N-CG 3.28Å; N34-D88 PolarHBondContact N-OD1 3.03Å; N34-D88 PolarHBondContact N-OD2 3.01Å; P37-D88 WeakPolarHBondContact CD-OD2 3.31Å; P37-D88 HydrophobicContact CG-CB 3.75Å; I84-D88 HydrophobicContact CG2-CB 3.83Å; H85-D88 WeakPolarHBondContact O-CA 3.43Å; H85-D88 WeakPolarHBondContact O-CB 3.36Å; H85-D88 PolarHBondContact O-N 3.18Å; E86-D88 VanDerWaalsContact C-N 3.28Å; E86-D88 PolarHBondContact O-N 3.1Å; D88-Q90 PolarHBondContact O-N 3.09Å; D88-Q91 PolarHBondContact O-N 3.42Å; D88-I92 WeakPolarHBondContact O-CG1 3.48Å; D88-I92 PolarHBondContact O-N 3.25Å |
| 89 | R | 93.7 | Very high | 88.2 | Confident | 6 Ų | 6 | 48 Ų | 48 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 173.9 | -66.3 | -174.3 | -178.8 | 154.9 | -1.4 | 111.2 | W68 D70 I84 H85 E86 Q91 I92 R93 | W68-R89 HydrophobicContact CD2-CG 4.27Å; W68-R89 HydrophobicContact CE3-CG 4.11Å; W68-R89 VanDerWaalsContact CH2-CA 3.45Å; W68-R89 HydrophobicContact CH2-CB 3.54Å; W68-R89 HydrophobicContact CH2-CG 3.72Å; W68-R89 HydrophobicContact CZ2-CB 3.67Å; W68-R89 HydrophobicContact CZ2-CG 3.83Å; W68-R89 HydrophobicContact CZ3-CB 4.14Å; W68-R89 HydrophobicContact CZ3-CG 3.85Å; W68-R89 PolarHBondContact O-NH2 3.01Å; D70-R89 IonicContact OD1-CZ 2.71Å; D70-R89 VanDerWaalsContact OD1-CZ 3.25Å; D70-R89 IonicContact OD1-NH1 2.74Å; D70-R89 PolarHBondContact OD1-NH1 3.13Å; D70-R89 IonicContact OD1-NH2 3.17Å; D70-R89 PolarHBondContact OD1-NH2 3.08Å; D70-R89 IonicContact OD2-NH1 3.25Å; I84-R89 HydrophobicContact CB-CG 4.15Å; I84-R89 HydrophobicContact CG2-CG 3.86Å; I84-R89 VanDerWaalsContact O-CZ 3.26Å; I84-R89 PolarHBondContact O-NE 3.34Å; I84-R89 PolarHBondContact O-NH2 3.16Å; H85-R89 PolarHBondContact O-N 3.44Å; E86-R89 WeakPolarHBondContact O-CB 3.32Å; E86-R89 PolarHBondContact O-N 2.8Å; E86-R89 WeakPolarHBondContact OE2-CD 3.35Å; E86-R89 IonicContact OE2-NH1 3.55Å; R89-Q91 PolarHBondContact O-N 2.86Å; R89-I92 PolarHBondContact O-N 3.4Å; R89-R93 VanDerWaalsContact O-CG 3.32Å; R89-R93 WeakPolarHBondContact O-CG 3.43Å; R89-R93 PolarHBondContact O-N 3.46Å |
| 90 | Q | 93.3 | Very high | 89.8 | Confident | 68 Ų | 68 | 42.5 Ų | 42.5 | 32% | 0.318 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -59.3 | -46.3 | 177.2 | -178.2 | 58.9 | 44.4 | 0 | 0 | 112 | E86 D88 I92 R93 D94 | E86-Q90 PolarHBondContact O-N 3.44Å; D88-Q90 PolarHBondContact O-N 3.09Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.36Å; Q90-R93 WeakPolarHBondContact O-CB 2.85Å; Q90-R93 PolarHBondContact O-N 3.22Å; Q90-D94 VanDerWaalsContact NE2-CG 3.31Å; Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 PolarHBondContact NE2-OD2 3.43Å; Q90-D94 WeakPolarHBondContact O-CB 3.28Å; Q90-D94 PolarHBondContact O-N 3.1Å |
| 91 | Q | 93.3 | Very high | 91.1 | Very high | 49 Ų | 49 | 36 Ų | 36 | 23% | 0.229 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -37.6 | 176.8 | -74.7 | -178.8 | 57.4 | 0 | 0 | 112.8 | N34 P37 N87 D88 R89 D94 H95 | N34-Q91 PolarHBondContact OD1-NE2 2.94Å; N34-Q91 VanDerWaalsContact OD1-NE2 3.11Å; P37-Q91 HydrophobicContact CB-CB 4.09Å; P37-Q91 HydrophobicContact CG-CB 3.93Å; N87-Q91 WeakPolarHBondContact O-CG 3.5Å; N87-Q91 PolarHBondContact O-N 3.01Å; D88-Q91 PolarHBondContact O-N 3.42Å; R89-Q91 PolarHBondContact O-N 2.86Å; Q91-D94 PolarHBondContact O-N 3.28Å; Q91-H95 PolarHBondContact O-N 3.05Å; Q91-H95 PolarHBondContact O-ND1 2.99Å |
| 92 | I | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.2 | -47.5 | 176 | -68.1 | 164.3 | 0 | 0 | 0 | 110.2 | A36 P37 L60 W68 D88 R89 Q90 D94 H95 I96 I118 | A36-I92 HydrophobicContact CB-CD1 3.68Å; P37-I92 HydrophobicContact CG-CG1 4.49Å; L60-I92 HydrophobicContact CD1-CD1 4.47Å; W68-I92 HydrophobicContact CH2-CB 4.06Å; W68-I92 HydrophobicContact CH2-CD1 4.46Å; W68-I92 HydrophobicContact CH2-CG2 4.05Å; W68-I92 HydrophobicContact CZ3-CB 4.22Å; W68-I92 HydrophobicContact CZ3-CD1 3.84Å; W68-I92 HydrophobicContact CZ3-CG2 4.09Å; D88-I92 WeakPolarHBondContact O-CG1 3.48Å; D88-I92 PolarHBondContact O-N 3.25Å; R89-I92 PolarHBondContact O-N 3.4Å; Q90-I92 VanDerWaalsContact C-N 3.3Å; Q90-I92 PolarHBondContact O-N 3.36Å; I92-D94 PolarHBondContact O-N 3.44Å; I92-H95 PolarHBondContact O-N 2.81Å; I92-H95 VanDerWaalsContact O-N 3.13Å; I92-I96 HydrophobicContact CG2-CB 4.41Å; I92-I96 VanDerWaalsContact O-CB 3.26Å; I92-I96 WeakPolarHBondContact O-CB 3.42Å; I92-I96 WeakPolarHBondContact O-CG2 3.33Å; I92-I96 PolarHBondContact O-N 3.12Å; I92-I118 HydrophobicContact CG2-CD1 3.73Å |
| 93 | R | 94.6 | Very high | 92.3 | Very high | 12 Ų | 12 | 40.4 Ų | 40.4 | 5% | 0.045 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.6 | -33 | 172.7 | -72 | -171.5 | -71.9 | 149.4 | -10.1 | 111.6 | W68 E86 R89 Q90 I118 R126 W127 K133 | W68-R93 HydrophobicContact CH2-CG 4.38Å; W68-R93 HydrophobicContact CZ2-CG 4.16Å; E86-R93 IonicContact OE1-CZ 2.69Å; E86-R93 IonicContact OE1-NH2 3.5Å; E86-R93 PolarHBondContact OE1-NH2 3.42Å; R89-R93 VanDerWaalsContact O-CG 3.32Å; R89-R93 WeakPolarHBondContact O-CG 3.43Å; R89-R93 PolarHBondContact O-N 3.46Å; Q90-R93 WeakPolarHBondContact O-CB 2.85Å; Q90-R93 PolarHBondContact O-N 3.22Å; R93-I118 HydrophobicContact CG-CG2 4.03Å; R93-R126 PolarHBondContact NH1-O 3.37Å; R93-W127 HydrophobicContact CB-CD2 4.02Å; R93-W127 HydrophobicContact CB-CG 4.42Å; R93-W127 HydrophobicContact CB-CH2 4.4Å; R93-W127 HydrophobicContact CB-CZ2 3.87Å; R93-W127 VanDerWaalsContact CD-CG 3.5Å; R93-W127 HydrophobicContact CG-CD2 3.76Å; R93-W127 HydrophobicContact CG-CE3 3.94Å; R93-W127 HydrophobicContact CG-CG 4.17Å; R93-W127 HydrophobicContact CG-CH2 4.42Å; R93-W127 HydrophobicContact CG-CZ2 4.27Å; R93-W127 HydrophobicContact CG-CZ3 4.25Å; R93-W127 WeakPolarHBondContact O-CZ2 3.36Å; R93-K133 PolarHBondContact O-NZ 3.33Å |
| 94 | D | 92.3 | Very high | 92.4 | Very high | 59 Ų | 59 | 40.7 Ų | 40.7 | 32% | 0.316 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -73.4 | -25.8 | -178.9 | -75.8 | -31.9 | 0 | 0 | 0 | 115.3 | Q90 Q91 I92 K133 | Q90-D94 VanDerWaalsContact NE2-CG 3.31Å; Q90-D94 PolarHBondContact NE2-OD1 3.43Å; Q90-D94 PolarHBondContact NE2-OD2 3.43Å; Q90-D94 WeakPolarHBondContact O-CB 3.28Å; Q90-D94 PolarHBondContact O-N 3.1Å; Q91-D94 PolarHBondContact O-N 3.28Å; I92-D94 PolarHBondContact O-N 3.44Å; D94-K133 VanDerWaalsContact C-NZ 3.27Å; D94-K133 PolarHBondContact O-NZ 2.81Å; D94-K133 IonicContact OD1-NZ 3.22Å |
| 95 | H | 93.8 | Very high | 92.3 | Very high | 108 Ų | 108 | 47.1 Ų | 47.1 | 50% | 0.5 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -127.2 | -10 | -168.8 | -59.1 | 89.5 | 0 | 0 | 0 | 115.2 | L40 Q91 I92 V97 E98 G99 | L40-H95 HydrophobicContact CD2-CB 3.86Å; Q91-H95 PolarHBondContact O-N 3.05Å; Q91-H95 PolarHBondContact O-ND1 2.99Å; I92-H95 PolarHBondContact O-N 2.81Å; I92-H95 VanDerWaalsContact O-N 3.13Å; H95-V97 VanDerWaalsContact C-N 3.31Å; H95-V97 PolarHBondContact O-N 3.41Å; H95-E98 WeakPolarHBondContact CA-OE2 3.41Å; H95-E98 PolarHBondContact O-N 3.2Å; H95-G99 PolarHBondContact O-N 3.01Å |
| 96 | I | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.3 | -35.2 | -173.8 | -169.2 | 66.6 | 0 | 0 | 0 | 112.7 | L40 I92 G99 I100 L111 C114 L115 W127 | L40-I96 HydrophobicContact CD1-CD1 4.01Å; I92-I96 HydrophobicContact CG2-CB 4.41Å; I92-I96 VanDerWaalsContact O-CB 3.26Å; I92-I96 WeakPolarHBondContact O-CB 3.42Å; I92-I96 WeakPolarHBondContact O-CG2 3.33Å; I92-I96 PolarHBondContact O-N 3.12Å; I96-G99 PolarHBondContact O-N 2.87Å; I96-I100 WeakPolarHBondContact O-CG1 3.09Å; I96-I100 PolarHBondContact O-N 3.17Å; I96-L111 HydrophobicContact CD1-CB 4.21Å; I96-L111 HydrophobicContact CD1-CD2 3.78Å; I96-L111 HydrophobicContact CD1-CG 4.45Å; I96-C114 HydrophobicContact CD1-CB 4.33Å; I96-L115 HydrophobicContact CG1-CB 4.49Å; I96-L115 HydrophobicContact CG2-CD1 4.03Å; I96-W127 HydrophobicContact CG2-CH2 3.78Å; I96-W127 HydrophobicContact CG2-CZ2 4.46Å |
| 97 | V | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.1 | -44.6 | -179.8 | 178.5 | 0 | 0 | 0 | 0 | 110.5 | H95 G99 I100 I101 L134 Y137 | H95-V97 VanDerWaalsContact C-N 3.31Å; H95-V97 PolarHBondContact O-N 3.41Å; V97-G99 VanDerWaalsContact C-N 3.27Å; V97-G99 PolarHBondContact O-N 3.38Å; V97-I100 PolarHBondContact O-N 3.23Å; V97-I101 HydrophobicContact CG1-CD1 4.14Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.17Å; V97-L134 HydrophobicContact CG1-CD2 4.11Å; V97-Y137 HydrophobicContact CG1-CD2 4.09Å; V97-Y137 HydrophobicContact CG1-CE2 4.18Å |
| 98 | E | 93.1 | Very high | 92.3 | Very high | 30 Ų | 30 | 38.6 Ų | 38.6 | 14% | 0.14 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.2 | -39.6 | 173.6 | -68.9 | 71.5 | -161.6 | 0 | 0 | 111.4 | H95 I101 R102 Y137 | H95-E98 WeakPolarHBondContact CA-OE2 3.41Å; H95-E98 PolarHBondContact O-N 3.2Å; E98-I101 PolarHBondContact O-N 3.33Å; E98-R102 WeakPolarHBondContact O-CG 3.38Å; E98-R102 PolarHBondContact O-N 3.16Å; E98-Y137 VanDerWaalsContact CD-OH 3.3Å; E98-Y137 HydrophobicContact CG-CE2 4.49Å; E98-Y137 WeakPolarHBondContact CG-OH 3.48Å; E98-Y137 WeakPolarHBondContact OE1-CE2 3.3Å; E98-Y137 PolarHBondContact OE1-OH 2.8Å |
| 99 | G | 92.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | H95 I96 V97 I101 R102 C103 | H95-G99 PolarHBondContact O-N 3.01Å; I96-G99 PolarHBondContact O-N 2.87Å; V97-G99 VanDerWaalsContact C-N 3.27Å; V97-G99 PolarHBondContact O-N 3.38Å; G99-I101 VanDerWaalsContact C-N 3.3Å; G99-I101 PolarHBondContact O-N 2.93Å; G99-R102 PolarHBondContact O-N 3.47Å; G99-C103 WeakPolarHBondContact O-CB 3.49Å; G99-C103 PolarHBondContact O-N 3.42Å; G99-C103 PolarHBondContact O-SG 3.32Å |
| 100 | I | 93.9 | Very high | 92 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 176.4 | -69.2 | 166.6 | 0 | 0 | 0 | 111.1 | I96 V97 R108 L111 T112 L115 G148 L151 A152 | I96-I100 WeakPolarHBondContact O-CG1 3.09Å; I96-I100 PolarHBondContact O-N 3.17Å; V97-I100 PolarHBondContact O-N 3.23Å; I100-R108 HydrophobicContact CB-CG 4.4Å; I100-R108 HydrophobicContact CG2-CG 3.71Å; I100-R108 VanDerWaalsContact O-CD 3.3Å; I100-R108 WeakPolarHBondContact O-CD 3.45Å; I100-R108 WeakPolarHBondContact O-CG 3.33Å; I100-R108 PolarHBondContact O-NE 3.31Å; I100-L111 HydrophobicContact CD1-CB 4.44Å; I100-L111 HydrophobicContact CG1-CB 3.64Å; I100-L111 HydrophobicContact CG1-CD1 4.45Å; I100-T112 HydrophobicContact CD1-CG2 4.05Å; I100-T112 HydrophobicContact CG1-CG2 4.28Å; I100-T112 HydrophobicContact CG2-CG2 4.09Å; I100-L115 HydrophobicContact CD1-CB 4.03Å; I100-L115 HydrophobicContact CD1-CD2 3.6Å; I100-L115 HydrophobicContact CD1-CG 4.41Å; I100-G148 WeakPolarHBondContact CG2-O 3.45Å; I100-L151 HydrophobicContact CG2-CB 4.35Å; I100-A152 HydrophobicContact CD1-CB 4.44Å |
| 101 | I | 92.3 | Very high | 92 | Very high | 23 Ų | 23 | 39 Ų | 39 | 12% | 0.118 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.4 | -45.9 | 179.9 | -69.2 | 166 | 0 | 0 | 0 | 111.6 | V97 E98 G99 Y137 T145 | V97-I101 HydrophobicContact CG1-CD1 4.14Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.17Å; E98-I101 PolarHBondContact O-N 3.33Å; G99-I101 VanDerWaalsContact C-N 3.3Å; G99-I101 PolarHBondContact O-N 2.93Å; I101-Y137 HydrophobicContact CD1-CD1 3.83Å; I101-Y137 HydrophobicContact CD1-CD2 3.75Å; I101-Y137 HydrophobicContact CD1-CE1 4.13Å; I101-Y137 HydrophobicContact CD1-CE2 4.04Å; I101-Y137 HydrophobicContact CD1-CG 3.66Å; I101-T145 HydrophobicContact CG2-CG2 4.12Å |
| 102 | R | 89.9 | Confident | 92 | Very high | 179 Ų | 179 | 37.3 Ų | 37.3 | 68% | 0.675 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -84.4 | -28.4 | -171.5 | -66 | 178.1 | -175.9 | -179.5 | 2.8 | 114.2 | E98 G99 | E98-R102 WeakPolarHBondContact O-CG 3.38Å; E98-R102 PolarHBondContact O-N 3.16Å; G99-R102 PolarHBondContact O-N 3.47Å |
| 103 | C | 91.3 | Very high | 91.9 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -79.1 | 153.9 | -172.4 | -68.8 | 0 | 0 | 0 | 0 | 113.4 | G99 I107 R108 L111 | G99-C103 WeakPolarHBondContact O-CB 3.49Å; G99-C103 PolarHBondContact O-N 3.42Å; G99-C103 PolarHBondContact O-SG 3.32Å; C103-I107 HydrophobicContact CB-CB 3.97Å; C103-I107 HydrophobicContact CB-CG2 3.56Å; C103-R108 PolarHBondContact O-NE 3.4Å; C103-R108 PolarHBondContact O-NH2 3.26Å; C103-L111 HydrophobicContact CB-CD1 4.43Å |
| 104 | P | 88.8 | Confident | 91.9 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 32% | 0.318 | 20% | 0.202 | S | C | . | . | trans | -67.1 | 167.1 | 173 | 29.4 | -36.3 | 0 | 0 | 0 | 112.4 | F50 S106 I107 R108 | F50-P104 HydrophobicContact CD2-CG 4.22Å; F50-P104 HydrophobicContact CE2-CB 4.41Å; F50-P104 HydrophobicContact CE2-CG 3.72Å; P104-S106 PolarHBondContact O-N 2.89Å; P104-I107 HydrophobicContact CG-CB 4.4Å; P104-I107 HydrophobicContact CG-CD1 3.97Å; P104-I107 HydrophobicContact CG-CG1 4.31Å; P104-I107 PolarHBondContact O-N 2.88Å; P104-R108 VanDerWaalsContact O-CB 3.29Å; P104-R108 WeakPolarHBondContact O-CB 3.45Å; P104-R108 PolarHBondContact O-N 2.94Å | ||
| 105 | E | 85.9 | Confident | 92 | Very high | 139 Ų | 139 | 37.8 Ų | 37.8 | 65% | 0.65 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -54.9 | -45.4 | -170.4 | -177.1 | 164.4 | -161.9 | 0 | 0 | 114.7 | I107 R108 A109 | E105-I107 PolarHBondContact O-N 3.15Å; E105-R108 WeakPolarHBondContact O-CB 3.39Å; E105-R108 PolarHBondContact O-N 3.16Å; E105-A109 PolarHBondContact O-N 3.29Å |
| 106 | S | 87.3 | Confident | 91.9 | Very high | 39 Ų | 39 | 36.1 Ų | 36.1 | 27% | 0.273 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -59.9 | -44.5 | -179.7 | 59.7 | 0 | 0 | 0 | 0 | 112.9 | F50 P104 | F50-S106 WeakPolarHBondContact CE2-OG 3.39Å; F50-S106 WeakPolarHBondContact CZ-OG 3.45Å; P104-S106 PolarHBondContact O-N 2.89Å |
| 107 | I | 92.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72 | -41.4 | 177.2 | -67.2 | 175.8 | 0 | 0 | 0 | 109.9 | I43 F50 R53 A57 C103 P104 E105 A109 Q110 L111 | I43-I107 HydrophobicContact CG2-CG2 3.36Å; F50-I107 HydrophobicContact CD2-CD1 4.44Å; F50-I107 HydrophobicContact CE2-CD1 4.41Å; R53-I107 HydrophobicContact CB-CD1 3.64Å; A57-I107 HydrophobicContact CB-CG2 4.12Å; C103-I107 HydrophobicContact CB-CB 3.97Å; C103-I107 HydrophobicContact CB-CG2 3.56Å; P104-I107 HydrophobicContact CG-CB 4.4Å; P104-I107 HydrophobicContact CG-CD1 3.97Å; P104-I107 HydrophobicContact CG-CG1 4.31Å; P104-I107 PolarHBondContact O-N 2.88Å; E105-I107 PolarHBondContact O-N 3.15Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 2.96Å; I107-Q110 PolarHBondContact O-N 3.33Å; I107-Q110 VanDerWaalsContact O-N 3.09Å; I107-L111 HydrophobicContact CG2-CD1 4.02Å; I107-L111 HydrophobicContact CG2-CG 4.15Å; I107-L111 PolarHBondContact O-N 3.36Å |
| 108 | R | 92.1 | Very high | 91.8 | Very high | 41 Ų | 41 | 37 Ų | 37 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.2 | -40.9 | 179.3 | -165.2 | -178.9 | -59.5 | 130.3 | -7.8 | 111.5 | I100 C103 P104 E105 Q110 L111 T112 L151 | I100-R108 HydrophobicContact CB-CG 4.4Å; I100-R108 HydrophobicContact CG2-CG 3.71Å; I100-R108 VanDerWaalsContact O-CD 3.3Å; I100-R108 WeakPolarHBondContact O-CD 3.45Å; I100-R108 WeakPolarHBondContact O-CG 3.33Å; I100-R108 PolarHBondContact O-NE 3.31Å; C103-R108 PolarHBondContact O-NE 3.4Å; C103-R108 PolarHBondContact O-NH2 3.26Å; P104-R108 VanDerWaalsContact O-CB 3.29Å; P104-R108 WeakPolarHBondContact O-CB 3.45Å; P104-R108 PolarHBondContact O-N 2.94Å; E105-R108 WeakPolarHBondContact O-CB 3.39Å; E105-R108 PolarHBondContact O-N 3.16Å; R108-Q110 VanDerWaalsContact C-N 3.35Å; R108-Q110 PolarHBondContact O-N 3.2Å; R108-L111 PolarHBondContact O-N 3.43Å; R108-T112 HydrophobicContact CG-CG2 4.49Å; R108-T112 WeakPolarHBondContact O-CG2 3.2Å; R108-T112 PolarHBondContact O-N 3.35Å; R108-T112 PolarHBondContact O-OG1 3.44Å; R108-L151 HydrophobicContact CG-CD1 4.05Å |
| 109 | A | 88.6 | Confident | 91.8 | Very high | 49 Ų | 49 | 35.5 Ų | 35.5 | 41% | 0.405 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | E105 I107 T112 M113 | E105-A109 PolarHBondContact O-N 3.29Å; I107-A109 VanDerWaalsContact C-N 3.27Å; I107-A109 PolarHBondContact O-N 2.96Å; A109-T112 PolarHBondContact O-N 3.31Å; A109-T112 PolarHBondContact O-OG1 3.45Å; A109-M113 PolarHBondContact O-N 3.23Å |
| 110 | Q | 91.2 | Very high | 91.8 | Very high | 40 Ų | 40 | 41.2 Ų | 41.2 | 19% | 0.187 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.7 | -44.9 | 177.5 | -53.3 | -53.6 | -46.7 | 0 | 0 | 111.9 | A57 I58 K61 I107 R108 T112 M113 C114 | A57-Q110 HydrophobicContact CB-CB 3.92Å; A57-Q110 HydrophobicContact CB-CG 4.27Å; I58-Q110 HydrophobicContact CG1-CG 4.09Å; K61-Q110 VanDerWaalsContact CD-OE1 3.3Å; I107-Q110 PolarHBondContact O-N 3.33Å; I107-Q110 VanDerWaalsContact O-N 3.09Å; R108-Q110 VanDerWaalsContact C-N 3.35Å; R108-Q110 PolarHBondContact O-N 3.2Å; Q110-T112 VanDerWaalsContact C-N 3.32Å; Q110-T112 PolarHBondContact O-N 2.91Å; Q110-M113 WeakPolarHBondContact O-CB 3.16Å; Q110-M113 PolarHBondContact O-N 3.21Å; Q110-M113 VanDerWaalsContact O-N 3.08Å; Q110-C114 PolarHBondContact O-N 3.03Å; Q110-C114 VanDerWaalsContact O-N 3.09Å; Q110-C114 PolarHBondContact O-SG 3.45Å; Q110-C114 VanDerWaalsContact O-SG 3.37Å |
| 111 | L | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.6 | -34 | 179.1 | -65.3 | -177.2 | 0 | 0 | 0 | 112.8 | L40 I43 L60 I96 I100 C103 I107 R108 M113 C114 L115 | L40-L111 HydrophobicContact CD1-CD2 4.09Å; I43-L111 HydrophobicContact CD1-CD2 4.2Å; I43-L111 HydrophobicContact CG2-CD1 4.15Å; I43-L111 HydrophobicContact CG2-CD2 4.26Å; I43-L111 HydrophobicContact CG2-CG 4.48Å; L60-L111 HydrophobicContact CD2-CD2 4.3Å; I96-L111 HydrophobicContact CD1-CB 4.21Å; I96-L111 HydrophobicContact CD1-CD2 3.78Å; I96-L111 HydrophobicContact CD1-CG 4.45Å; I100-L111 HydrophobicContact CD1-CB 4.44Å; I100-L111 HydrophobicContact CG1-CB 3.64Å; I100-L111 HydrophobicContact CG1-CD1 4.45Å; C103-L111 HydrophobicContact CB-CD1 4.43Å; I107-L111 HydrophobicContact CG2-CD1 4.02Å; I107-L111 HydrophobicContact CG2-CG 4.15Å; I107-L111 PolarHBondContact O-N 3.36Å; R108-L111 PolarHBondContact O-N 3.43Å; L111-M113 VanDerWaalsContact C-N 3.29Å; L111-M113 PolarHBondContact O-N 3.05Å; L111-C114 WeakPolarHBondContact O-CB 3.27Å; L111-C114 PolarHBondContact O-N 3.1Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 PolarHBondContact O-N 2.93Å |
| 112 | T | 93.1 | Very high | 91.6 | Very high | 13 Ų | 13 | 43.7 Ų | 43.7 | 8% | 0.08 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.3 | -31.8 | 173.7 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | I100 R108 A109 Q110 L115 R116 L151 Q155 | I100-T112 HydrophobicContact CD1-CG2 4.05Å; I100-T112 HydrophobicContact CG1-CG2 4.28Å; I100-T112 HydrophobicContact CG2-CG2 4.09Å; R108-T112 HydrophobicContact CG-CG2 4.49Å; R108-T112 WeakPolarHBondContact O-CG2 3.2Å; R108-T112 PolarHBondContact O-N 3.35Å; R108-T112 PolarHBondContact O-OG1 3.44Å; A109-T112 PolarHBondContact O-N 3.31Å; A109-T112 PolarHBondContact O-OG1 3.45Å; Q110-T112 VanDerWaalsContact C-N 3.32Å; Q110-T112 PolarHBondContact O-N 2.91Å; T112-L115 PolarHBondContact O-N 3.49Å; T112-R116 PolarHBondContact O-N 2.98Å; T112-L151 HydrophobicContact CG2-CB 4.12Å; T112-Q155 HydrophobicContact CG2-CG 4.46Å; T112-Q155 WeakPolarHBondContact O-CG 3.49Å |
| 113 | M | 91.4 | Very high | 91.7 | Very high | 81 Ų | 81 | 35.9 Ų | 35.9 | 40% | 0.399 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -68.5 | -42.2 | 172.3 | -69.2 | -55.2 | -50.7 | 0 | 0 | 111.7 | K61 A109 Q110 L111 L115 R116 A117 | K61-M113 HydrophobicContact CD-CB 3.89Å; K61-M113 HydrophobicContact CD-CG 4.41Å; K61-M113 HydrophobicContact CG-CB 3.96Å; A109-M113 PolarHBondContact O-N 3.23Å; Q110-M113 WeakPolarHBondContact O-CB 3.16Å; Q110-M113 PolarHBondContact O-N 3.21Å; Q110-M113 VanDerWaalsContact O-N 3.08Å; L111-M113 VanDerWaalsContact C-N 3.29Å; L111-M113 PolarHBondContact O-N 3.05Å; M113-L115 VanDerWaalsContact C-N 3.31Å; M113-L115 PolarHBondContact O-N 3.37Å; M113-R116 PolarHBondContact O-N 3.45Å; M113-A117 PolarHBondContact O-N 2.9Å; M113-A117 VanDerWaalsContact O-N 3.16Å |
| 114 | C | 94.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -55.3 | -49.9 | 170.9 | -55.7 | 0 | 0 | 0 | 0 | 110.5 | K61 V64 I96 Q110 L111 R116 A117 I118 | K61-C114 WeakPolarHBondContact CA-SG 3.26Å; V64-C114 HydrophobicContact CG1-CB 4.48Å; I96-C114 HydrophobicContact CD1-CB 4.33Å; Q110-C114 PolarHBondContact O-N 3.03Å; Q110-C114 VanDerWaalsContact O-N 3.09Å; Q110-C114 PolarHBondContact O-SG 3.45Å; Q110-C114 VanDerWaalsContact O-SG 3.37Å; L111-C114 WeakPolarHBondContact O-CB 3.27Å; L111-C114 PolarHBondContact O-N 3.1Å; C114-R116 VanDerWaalsContact C-N 3.32Å; C114-R116 PolarHBondContact O-N 3.46Å; C114-A117 PolarHBondContact O-N 3.42Å; C114-I118 VanDerWaalsContact O-CG1 3.25Å; C114-I118 WeakPolarHBondContact O-CG1 3.23Å; C114-I118 PolarHBondContact O-N 3.12Å |
| 115 | L | 95.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | -179.3 | 179.9 | 63.1 | 0 | 0 | 0 | 112.1 | I96 I100 L111 T112 M113 A117 I118 I119 W127 I130 A152 Q155 | I96-L115 HydrophobicContact CG1-CB 4.49Å; I96-L115 HydrophobicContact CG2-CD1 4.03Å; I100-L115 HydrophobicContact CD1-CB 4.03Å; I100-L115 HydrophobicContact CD1-CD2 3.6Å; I100-L115 HydrophobicContact CD1-CG 4.41Å; L111-L115 WeakPolarHBondContact O-CB 3.32Å; L111-L115 PolarHBondContact O-N 2.93Å; T112-L115 PolarHBondContact O-N 3.49Å; M113-L115 VanDerWaalsContact C-N 3.31Å; M113-L115 PolarHBondContact O-N 3.37Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-A117 PolarHBondContact O-N 3.47Å; L115-I118 PolarHBondContact O-N 3.45Å; L115-I119 HydrophobicContact CD1-CD1 3.96Å; L115-I119 HydrophobicContact CD1-CG1 4.06Å; L115-I119 HydrophobicContact CD2-CD1 4.31Å; L115-I119 HydrophobicContact CG-CD1 3.73Å; L115-I119 HydrophobicContact CG-CG1 4.27Å; L115-I119 WeakPolarHBondContact O-CB 3.48Å; L115-I119 VanDerWaalsContact O-CG1 3.24Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.43Å; L115-W127 HydrophobicContact CD1-CH2 3.65Å; L115-W127 HydrophobicContact CD1-CZ3 3.64Å; L115-I130 HydrophobicContact CD1-CD1 3.94Å; L115-A152 HydrophobicContact CD2-CB 3.46Å; L115-A152 VanDerWaalsContact CD2-CB 3.46Å; L115-Q155 HydrophobicContact CD2-CB 4.4Å; L115-Q155 HydrophobicContact CG-CB 4.49Å |
| 116 | R | 92.1 | Very high | 91.3 | Very high | 72 Ų | 72 | 39 Ų | 39 | 27% | 0.272 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -60.3 | -44.5 | 177.4 | -167.1 | -178 | -177.2 | -167.2 | -2.5 | 111.9 | T112 M113 C114 I119 K120 Q155 T159 | T112-R116 PolarHBondContact O-N 2.98Å; M113-R116 PolarHBondContact O-N 3.45Å; C114-R116 VanDerWaalsContact C-N 3.32Å; C114-R116 PolarHBondContact O-N 3.46Å; R116-I119 PolarHBondContact O-N 2.89Å; R116-K120 WeakPolarHBondContact O-CB 3.28Å; R116-K120 PolarHBondContact O-N 2.85Å; R116-Q155 HydrophobicContact CB-CB 4.25Å; R116-Q155 HydrophobicContact CB-CG 4.45Å; R116-T159 WeakPolarHBondContact CG-OG1 3.5Å |
| 117 | A | 92.1 | Very high | 91.4 | Very high | 18 Ų | 18 | 37.4 Ų | 37.4 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.8 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V64 M113 C114 L115 K120 H121 | V64-A117 HydrophobicContact CG1-CB 3.92Å; M113-A117 PolarHBondContact O-N 2.9Å; M113-A117 VanDerWaalsContact O-N 3.16Å; C114-A117 PolarHBondContact O-N 3.42Å; L115-A117 VanDerWaalsContact C-N 3.35Å; L115-A117 PolarHBondContact O-N 3.47Å; A117-K120 WeakPolarHBondContact O-CB 3.26Å; A117-K120 PolarHBondContact O-N 3.01Å; A117-H121 PolarHBondContact O-CD2 3.47Å; A117-H121 VanDerWaalsContact O-CD2 3.27Å |
| 118 | I | 94.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -49.1 | 176.7 | -62.5 | 165.9 | 0 | 0 | 0 | 110.7 | V64 W68 I92 R93 C114 L115 K120 H121 D122 W127 | V64-I118 HydrophobicContact CG1-CD1 4.48Å; V64-I118 HydrophobicContact CG1-CG1 3.92Å; W68-I118 HydrophobicContact CD2-CG1 3.9Å; W68-I118 HydrophobicContact CE3-CG1 4.09Å; W68-I118 HydrophobicContact CH2-CD1 3.91Å; W68-I118 HydrophobicContact CH2-CG1 3.83Å; W68-I118 HydrophobicContact CH2-CG2 4.34Å; W68-I118 HydrophobicContact CZ2-CB 4.18Å; W68-I118 HydrophobicContact CZ2-CD1 4.19Å; W68-I118 HydrophobicContact CZ2-CG1 3.67Å; W68-I118 HydrophobicContact CZ2-CG2 3.6Å; W68-I118 HydrophobicContact CZ3-CD1 4.16Å; W68-I118 HydrophobicContact CZ3-CG1 4.05Å; I92-I118 HydrophobicContact CG2-CD1 3.73Å; R93-I118 HydrophobicContact CG-CG2 4.03Å; C114-I118 VanDerWaalsContact O-CG1 3.25Å; C114-I118 WeakPolarHBondContact O-CG1 3.23Å; C114-I118 PolarHBondContact O-N 3.12Å; L115-I118 PolarHBondContact O-N 3.45Å; I118-K120 VanDerWaalsContact C-N 3.3Å; I118-K120 PolarHBondContact O-N 3.08Å; I118-H121 PolarHBondContact O-N 3.38Å; I118-D122 HydrophobicContact CG2-CB 4.46Å; I118-D122 WeakPolarHBondContact O-CB 3.44Å; I118-D122 PolarHBondContact O-N 2.69Å; I118-W127 HydrophobicContact CB-CZ3 4.31Å; I118-W127 HydrophobicContact CG2-CE3 3.54Å; I118-W127 HydrophobicContact CG2-CZ3 3.46Å; I118-W127 VanDerWaalsContact CG2-CZ3 3.46Å |
| 119 | I | 93.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -42.1 | 179.3 | -69.5 | 170.1 | 0 | 0 | 0 | 111 | L115 R116 H121 F123 W127 I130 Q155 L156 T159 | L115-I119 HydrophobicContact CD1-CD1 3.96Å; L115-I119 HydrophobicContact CD1-CG1 4.06Å; L115-I119 HydrophobicContact CD2-CD1 4.31Å; L115-I119 HydrophobicContact CG-CD1 3.73Å; L115-I119 HydrophobicContact CG-CG1 4.27Å; L115-I119 WeakPolarHBondContact O-CB 3.48Å; L115-I119 VanDerWaalsContact O-CG1 3.24Å; L115-I119 WeakPolarHBondContact O-CG1 3.4Å; L115-I119 PolarHBondContact O-N 3.43Å; R116-I119 PolarHBondContact O-N 2.89Å; I119-H121 PolarHBondContact O-N 3.44Å; I119-F123 HydrophobicContact CG2-CB 3.99Å; I119-F123 WeakPolarHBondContact O-CB 3.16Å; I119-F123 PolarHBondContact O-N 3.01Å; I119-W127 HydrophobicContact CG1-CZ3 4.49Å; I119-I130 HydrophobicContact CD1-CD1 3.65Å; I119-I130 HydrophobicContact CG1-CD1 3.78Å; I119-Q155 HydrophobicContact CD1-CB 4.18Å; I119-L156 HydrophobicContact CD1-CB 4.08Å; I119-L156 HydrophobicContact CD1-CD1 4.38Å; I119-L156 HydrophobicContact CG2-CD1 3.65Å; I119-T159 HydrophobicContact CG2-CG2 4.05Å |
| 120 | K | 91.4 | Very high | 91.4 | Very high | 121 Ų | 121 | 39.2 Ų | 39.2 | 53% | 0.526 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -55.9 | -35.3 | -178.5 | -176.3 | -175.6 | 176.6 | -171.9 | 0 | 113 | R116 A117 I118 T159 | R116-K120 WeakPolarHBondContact O-CB 3.28Å; R116-K120 PolarHBondContact O-N 2.85Å; A117-K120 WeakPolarHBondContact O-CB 3.26Å; A117-K120 PolarHBondContact O-N 3.01Å; I118-K120 VanDerWaalsContact C-N 3.3Å; I118-K120 PolarHBondContact O-N 3.08Å; K120-T159 HydrophobicContact CB-CG2 3.95Å; K120-T159 HydrophobicContact CG-CG2 4.4Å |
| 121 | H | 90.7 | Very high | 91.5 | Very high | 71 Ų | 71 | 38.2 Ų | 38.2 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -102.6 | -29 | -175.6 | -64.8 | -68.8 | 0 | 0 | 0 | 113.3 | Q69 A117 I118 I119 | Q69-H121 PolarHBondContact OE1-CE1 3.43Å; A117-H121 PolarHBondContact O-CD2 3.47Å; A117-H121 VanDerWaalsContact O-CD2 3.27Å; I118-H121 PolarHBondContact O-N 3.38Å; I119-H121 PolarHBondContact O-N 3.44Å |
| 122 | D | 91.8 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -107 | -20.1 | -170.9 | -66.7 | -9.8 | 0 | 0 | 0 | 114.5 | W68 I118 G125 R126 W127 | W68-D122 WeakPolarHBondContact CZ2-OD2 3.5Å; W68-D122 PolarHBondContact NE1-OD1 3.47Å; W68-D122 PolarHBondContact NE1-OD2 3.37Å; I118-D122 HydrophobicContact CG2-CB 4.46Å; I118-D122 WeakPolarHBondContact O-CB 3.44Å; I118-D122 PolarHBondContact O-N 2.69Å; D122-G125 CarbonylContact O-C 3.58Å; D122-G125 PolarHBondContact O-N 3.13Å; D122-R126 HydrophobicContact CB-CB 4.1Å; D122-R126 CarbonylContact O-C 3.59Å; D122-R126 WeakPolarHBondContact O-CA 3.34Å; D122-R126 PolarHBondContact O-N 3.4Å; D122-W127 HydrophobicContact CB-CB 3.9Å; D122-W127 PolarHBondContact O-N 3.39Å |
| 123 | F | 91.3 | Very high | 91.3 | Very high | 16 Ų | 16 | 44.6 Ų | 44.6 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 137 | 179.3 | -178.5 | -89.2 | 0 | 0 | 0 | 111.1 | I119 W127 I130 V131 L156 Y160 P170 | I119-F123 HydrophobicContact CG2-CB 3.99Å; I119-F123 WeakPolarHBondContact O-CB 3.16Å; I119-F123 PolarHBondContact O-N 3.01Å; F123-W127 WeakPolarHBondContact CD2-O 3.38Å; F123-I130 HydrophobicContact CD2-CG2 3.74Å; F123-I130 HydrophobicContact CE2-CG2 4.13Å; F123-V131 HydrophobicContact CE2-CG2 3.86Å; F123-V131 HydrophobicContact CZ-CG2 4.37Å; F123-L156 HydrophobicContact CD1-CD1 3.59Å; F123-L156 HydrophobicContact CD2-CD1 4.28Å; F123-L156 HydrophobicContact CE1-CD1 3.69Å; F123-L156 HydrophobicContact CE2-CD1 4.38Å; F123-L156 HydrophobicContact CG-CD1 3.9Å; F123-L156 HydrophobicContact CZ-CD1 4.1Å; F123-Y160 AromaticContact CD1-CE2 3.66Å; F123-Y160 HydrophobicContact CD1-CE2 3.66Å; F123-Y160 AromaticContact CD1-CZ 3.85Å; F123-Y160 VanDerWaalsContact CD1-OH 3.28Å; F123-Y160 WeakPolarHBondContact CD1-OH 3.26Å; F123-Y160 AromaticContact CE1-CE2 3.96Å; F123-Y160 HydrophobicContact CE1-CE2 3.96Å; F123-Y160 PolarHBondContact O-OH 2.93Å; F123-Y160 VanDerWaalsContact O-OH 3.07Å; F123-P170 HydrophobicContact CE1-CB 3.94Å; F123-P170 HydrophobicContact CZ-CB 4.36Å |
| 124 | P | 84.8 | Confident | 91.4 | Very high | 52 Ų | 52 | 40.7 Ų | 40.7 | 34% | 0.338 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -84.8 | -6.2 | -1.7 | 37.8 | -40.7 | 0 | 0 | 0 | 114.5 | T128 Y160 P170 | P124-T128 WeakPolarHBondContact O-CG2 3.19Å; P124-Y160 WeakPolarHBondContact CD-OH 3.47Å; P124-P170 HydrophobicContact CB-CB 3.8Å; P124-P170 HydrophobicContact CB-CG 4.36Å; P124-P170 HydrophobicContact CG-CB 3.63Å; P124-P170 HydrophobicContact CG-CG 3.64Å |
| 125 | G | 86.9 | Confident | 91.4 | Very high | 70 Ų | 70 | 41.8 Ų | 41.8 | 72% | 0.722 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -68.9 | -167.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D122 | D122-G125 CarbonylContact O-C 3.58Å; D122-G125 PolarHBondContact O-N 3.13Å |
| 126 | R | 85.8 | Confident | 91.2 | Very high | 133 Ų | 133 | 46.9 Ų | 46.9 | 50% | 0.502 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -21 | -173.8 | -63.9 | -177.9 | -176.9 | 176.6 | 2.9 | 113.1 | D70 R93 D122 | D70-R126 IonicContact OD2-CZ 3.78Å; D70-R126 IonicContact OD2-NH1 2.73Å; D70-R126 PolarHBondContact OD2-NH1 2.78Å; D70-R126 IonicContact OD2-NH2 3.91Å; D70-R126 PolarHBondContact OD2-NH2 3.38Å; D70-R126 VanDerWaalsContact OD2-NH2 3.07Å; R93-R126 PolarHBondContact NH1-O 3.37Å; D122-R126 HydrophobicContact CB-CB 4.1Å; D122-R126 CarbonylContact O-C 3.59Å; D122-R126 WeakPolarHBondContact O-CA 3.34Å; D122-R126 PolarHBondContact O-N 3.4Å |
| 127 | W | 90.6 | Very high | 91.2 | Very high | 6 Ų | 6 | 45.5 Ų | 45.5 | 2% | 0.023 | 25% | 0.25 | C | S | . | . | trans | -138.9 | 76.6 | -172.7 | -167.1 | 31.9 | 0 | 0 | 0 | 115.3 | R93 I96 L115 I118 I119 D122 F123 I130 | R93-W127 HydrophobicContact CB-CD2 4.02Å; R93-W127 HydrophobicContact CB-CG 4.42Å; R93-W127 HydrophobicContact CB-CH2 4.4Å; R93-W127 HydrophobicContact CB-CZ2 3.87Å; R93-W127 VanDerWaalsContact CD-CG 3.5Å; R93-W127 HydrophobicContact CG-CD2 3.76Å; R93-W127 HydrophobicContact CG-CE3 3.94Å; R93-W127 HydrophobicContact CG-CG 4.17Å; R93-W127 HydrophobicContact CG-CH2 4.42Å; R93-W127 HydrophobicContact CG-CZ2 4.27Å; R93-W127 HydrophobicContact CG-CZ3 4.25Å; R93-W127 WeakPolarHBondContact O-CZ2 3.36Å; I96-W127 HydrophobicContact CG2-CH2 3.78Å; I96-W127 HydrophobicContact CG2-CZ2 4.46Å; L115-W127 HydrophobicContact CD1-CH2 3.65Å; L115-W127 HydrophobicContact CD1-CZ3 3.64Å; I118-W127 HydrophobicContact CB-CZ3 4.31Å; I118-W127 HydrophobicContact CG2-CE3 3.54Å; I118-W127 HydrophobicContact CG2-CZ3 3.46Å; I118-W127 VanDerWaalsContact CG2-CZ3 3.46Å; I119-W127 HydrophobicContact CG1-CZ3 4.49Å; D122-W127 HydrophobicContact CB-CB 3.9Å; D122-W127 PolarHBondContact O-N 3.39Å; F123-W127 WeakPolarHBondContact CD2-O 3.38Å; W127-I130 HydrophobicContact CD2-CB 4.14Å; W127-I130 HydrophobicContact CE3-CB 4.39Å; W127-I130 HydrophobicContact CE3-CD1 4.4Å; W127-I130 HydrophobicContact CH2-CB 4.3Å; W127-I130 HydrophobicContact CH2-CD1 3.95Å; W127-I130 HydrophobicContact CH2-CG1 4.2Å; W127-I130 HydrophobicContact CZ2-CB 4.01Å; W127-I130 HydrophobicContact CZ2-CD1 4.49Å; W127-I130 HydrophobicContact CZ2-CG1 4.27Å; W127-I130 HydrophobicContact CZ3-CB 4.48Å; W127-I130 HydrophobicContact CZ3-CD1 3.9Å | ||
| 128 | T | 88.4 | Confident | 91.1 | Very high | 89 Ų | 89 | 44.7 Ų | 44.7 | 55% | 0.546 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | -28.9 | 173.5 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | P124 I130 V131 | P124-T128 WeakPolarHBondContact O-CG2 3.19Å; T128-I130 PolarHBondContact O-N 2.93Å; T128-V131 PolarHBondContact O-N 3.33Å; T128-V131 VanDerWaalsContact O-N 3.1Å |
| 129 | A | 90.4 | Very high | 90.8 | Very high | 38 Ų | 38 | 50.8 Ų | 50.8 | 31% | 0.314 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -14.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | V131 D132 K133 | A129-V131 PolarHBondContact O-N 3.02Å; A129-D132 PolarHBondContact O-N 2.98Å; A129-K133 PolarHBondContact O-N 3.34Å; A129-K133 VanDerWaalsContact O-N 3.14Å |
| 130 | I | 93.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.8 | -36.7 | 172.5 | -170.5 | 174.4 | 0 | 0 | 0 | 111.7 | L115 I119 F123 W127 T128 K133 L134 | L115-I130 HydrophobicContact CD1-CD1 3.94Å; I119-I130 HydrophobicContact CD1-CD1 3.65Å; I119-I130 HydrophobicContact CG1-CD1 3.78Å; F123-I130 HydrophobicContact CD2-CG2 3.74Å; F123-I130 HydrophobicContact CE2-CG2 4.13Å; W127-I130 HydrophobicContact CD2-CB 4.14Å; W127-I130 HydrophobicContact CE3-CB 4.39Å; W127-I130 HydrophobicContact CE3-CD1 4.4Å; W127-I130 HydrophobicContact CH2-CB 4.3Å; W127-I130 HydrophobicContact CH2-CD1 3.95Å; W127-I130 HydrophobicContact CH2-CG1 4.2Å; W127-I130 HydrophobicContact CZ2-CB 4.01Å; W127-I130 HydrophobicContact CZ2-CD1 4.49Å; W127-I130 HydrophobicContact CZ2-CG1 4.27Å; W127-I130 HydrophobicContact CZ3-CB 4.48Å; W127-I130 HydrophobicContact CZ3-CD1 3.9Å; T128-I130 PolarHBondContact O-N 2.93Å; I130-K133 PolarHBondContact O-N 3.43Å; I130-L134 HydrophobicContact CG1-CD1 4.02Å; I130-L134 HydrophobicContact CG1-CG 4.26Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 VanDerWaalsContact O-CG 3.24Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.92Å |
| 131 | V | 93.6 | Very high | 90 | Very high | 19 Ų | 19 | 56.1 Ų | 56.1 | 12% | 0.115 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 179.6 | 177.3 | 0 | 0 | 0 | 0 | 110.5 | F123 T128 A129 K133 L134 S135 A174 I177 F178 | F123-V131 HydrophobicContact CE2-CG2 3.86Å; F123-V131 HydrophobicContact CZ-CG2 4.37Å; T128-V131 PolarHBondContact O-N 3.33Å; T128-V131 VanDerWaalsContact O-N 3.1Å; A129-V131 PolarHBondContact O-N 3.02Å; V131-K133 PolarHBondContact O-N 3.2Å; V131-L134 PolarHBondContact O-N 3.47Å; V131-S135 WeakPolarHBondContact O-CB 3.31Å; V131-S135 PolarHBondContact O-N 3.41Å; V131-A174 HydrophobicContact CG2-CB 4.01Å; V131-I177 HydrophobicContact CG1-CD1 4.07Å; V131-F178 HydrophobicContact CB-CE2 4.46Å; V131-F178 HydrophobicContact CB-CZ 4.46Å; V131-F178 HydrophobicContact CG1-CE2 3.86Å; V131-F178 HydrophobicContact CG1-CZ 3.89Å; V131-F178 WeakPolarHBondContact O-CZ 3.28Å |
| 132 | D | 92.4 | Very high | 89.6 | Confident | 111 Ų | 111 | 57.4 Ų | 57.4 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -63.2 | -43 | 179.6 | -60.7 | -42.2 | 0 | 0 | 0 | 111.8 | A129 S135 M136 | A129-D132 PolarHBondContact O-N 2.98Å; D132-S135 WeakPolarHBondContact O-CB 3.42Å; D132-S135 PolarHBondContact O-N 3.25Å; D132-M136 PolarHBondContact O-N 2.95Å |
| 133 | K | 92 | Very high | 88.9 | Confident | 36 Ų | 36 | 60 Ų | 60 | 16% | 0.157 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -48 | 177.6 | -73.8 | -172.4 | -179.2 | -176.6 | 0 | 112.4 | R93 D94 A129 I130 V131 S135 M136 Y137 | R93-K133 PolarHBondContact O-NZ 3.33Å; D94-K133 VanDerWaalsContact C-NZ 3.27Å; D94-K133 PolarHBondContact O-NZ 2.81Å; D94-K133 IonicContact OD1-NZ 3.22Å; A129-K133 PolarHBondContact O-N 3.34Å; A129-K133 VanDerWaalsContact O-N 3.14Å; I130-K133 PolarHBondContact O-N 3.43Å; V131-K133 PolarHBondContact O-N 3.2Å; K133-S135 VanDerWaalsContact C-N 3.27Å; K133-S135 PolarHBondContact O-N 3.4Å; K133-M136 PolarHBondContact O-N 3.5Å; K133-Y137 WeakPolarHBondContact O-CD2 3.5Å; K133-Y137 PolarHBondContact O-N 3.37Å; K133-Y137 VanDerWaalsContact O-N 3.08Å |
| 134 | L | 93.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -62.7 | -38.3 | 178.4 | -67.9 | 177.6 | 0 | 0 | 0 | 111.3 | V97 I130 V131 Y137 L138 A152 L153 F178 | V97-L134 HydrophobicContact CG1-CD2 4.11Å; I130-L134 HydrophobicContact CG1-CD1 4.02Å; I130-L134 HydrophobicContact CG1-CG 4.26Å; I130-L134 WeakPolarHBondContact O-CB 3.42Å; I130-L134 VanDerWaalsContact O-CG 3.24Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 2.92Å; V131-L134 PolarHBondContact O-N 3.47Å; L134-Y137 PolarHBondContact O-N 2.87Å; L134-L138 WeakPolarHBondContact O-CB 2.92Å; L134-L138 VanDerWaalsContact O-CG 3.27Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.18Å; L134-A152 HydrophobicContact CD2-CB 3.56Å; L134-L153 HydrophobicContact CD1-CB 4.23Å; L134-L153 HydrophobicContact CD1-CD1 4.41Å; L134-F178 HydrophobicContact CB-CE1 3.81Å; L134-F178 HydrophobicContact CB-CZ 3.62Å; L134-F178 HydrophobicContact CD1-CZ 4.42Å |
| 135 | S | 92.9 | Very high | 88.6 | Confident | 22 Ų | 22 | 59.3 Ų | 59.3 | 15% | 0.154 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.1 | -47.3 | 176.2 | -168.8 | 0 | 0 | 0 | 0 | 111.2 | V131 D132 K133 Y137 L138 Q139 | V131-S135 WeakPolarHBondContact O-CB 3.31Å; V131-S135 PolarHBondContact O-N 3.41Å; D132-S135 WeakPolarHBondContact O-CB 3.42Å; D132-S135 PolarHBondContact O-N 3.25Å; K133-S135 VanDerWaalsContact C-N 3.27Å; K133-S135 PolarHBondContact O-N 3.4Å; S135-Y137 PolarHBondContact O-N 2.64Å; S135-L138 PolarHBondContact O-N 2.86Å; S135-Q139 WeakPolarHBondContact O-CB 3.39Å; S135-Q139 VanDerWaalsContact O-CG 3.22Å; S135-Q139 WeakPolarHBondContact O-CG 3.21Å; S135-Q139 PolarHBondContact O-N 3.37Å; S135-Q139 PolarHBondContact OG-NE2 2.95Å |
| 136 | M | 92.9 | Very high | 88.8 | Confident | 107 Ų | 107 | 57.6 Ų | 57.6 | 53% | 0.527 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.7 | -48.5 | 177.1 | -175.6 | -173.3 | 69.2 | 0 | 0 | 112.4 | D132 K133 Q139 S140 | D132-M136 PolarHBondContact O-N 2.95Å; K133-M136 PolarHBondContact O-N 3.5Å; M136-Q139 PolarHBondContact O-N 3.32Å; M136-S140 PolarHBondContact O-N 2.9Å |
| 137 | Y | 92.3 | Very high | 89 | Confident | 44 Ų | 44 | 52.1 Ų | 52.1 | 17% | 0.173 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.1 | -37 | -178.4 | -71.9 | -63.3 | 0 | 0 | 0 | 113.3 | V97 E98 I101 K133 L134 S135 Q139 S140 T145 S149 | V97-Y137 HydrophobicContact CG1-CD2 4.09Å; V97-Y137 HydrophobicContact CG1-CE2 4.18Å; E98-Y137 VanDerWaalsContact CD-OH 3.3Å; E98-Y137 HydrophobicContact CG-CE2 4.49Å; E98-Y137 WeakPolarHBondContact CG-OH 3.48Å; E98-Y137 WeakPolarHBondContact OE1-CE2 3.3Å; E98-Y137 PolarHBondContact OE1-OH 2.8Å; I101-Y137 HydrophobicContact CD1-CD1 3.83Å; I101-Y137 HydrophobicContact CD1-CD2 3.75Å; I101-Y137 HydrophobicContact CD1-CE1 4.13Å; I101-Y137 HydrophobicContact CD1-CE2 4.04Å; I101-Y137 HydrophobicContact CD1-CG 3.66Å; K133-Y137 WeakPolarHBondContact O-CD2 3.5Å; K133-Y137 PolarHBondContact O-N 3.37Å; K133-Y137 VanDerWaalsContact O-N 3.08Å; L134-Y137 PolarHBondContact O-N 2.87Å; S135-Y137 PolarHBondContact O-N 2.64Å; Y137-Q139 VanDerWaalsContact C-N 3.3Å; Y137-Q139 PolarHBondContact O-N 3Å; Y137-S140 WeakPolarHBondContact O-CB 3.49Å; Y137-S140 PolarHBondContact O-N 3.3Å; Y137-S140 PolarHBondContact O-OG 2.89Å; Y137-T145 PolarHBondContact O-OG1 2.96Å; Y137-S149 WeakPolarHBondContact CB-OG 3.39Å |
| 138 | L | 89.9 | Confident | 89 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.6 | -24.3 | 176.7 | -72.1 | 173.6 | 0 | 0 | 0 | 113.5 | L134 S135 L150 L153 F178 R181 | L134-L138 WeakPolarHBondContact O-CB 2.92Å; L134-L138 VanDerWaalsContact O-CG 3.27Å; L134-L138 WeakPolarHBondContact O-CG 3.43Å; L134-L138 PolarHBondContact O-N 3.18Å; S135-L138 PolarHBondContact O-N 2.86Å; L138-L150 HydrophobicContact CD2-CD2 3.86Å; L138-L150 HydrophobicContact CD2-CG 3.88Å; L138-L153 HydrophobicContact CD1-CD2 4.25Å; L138-F178 HydrophobicContact CD1-CD1 3.85Å; L138-F178 HydrophobicContact CD1-CE1 4.1Å; L138-R181 HydrophobicContact CB-CG 4.39Å; L138-R181 PolarHBondContact O-NE 3.45Å; L138-R181 PolarHBondContact O-NH2 3.12Å |
| 139 | Q | 88.4 | Confident | 89.3 | Confident | 128 Ų | 128 | 47.7 Ų | 47.7 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -85.1 | -13.4 | 173.5 | -70 | 177 | 13.2 | 0 | 0 | 113 | S135 M136 Y137 | S135-Q139 WeakPolarHBondContact O-CB 3.39Å; S135-Q139 VanDerWaalsContact O-CG 3.22Å; S135-Q139 WeakPolarHBondContact O-CG 3.21Å; S135-Q139 PolarHBondContact O-N 3.37Å; S135-Q139 PolarHBondContact OG-NE2 2.95Å; M136-Q139 PolarHBondContact O-N 3.32Å; Y137-Q139 VanDerWaalsContact C-N 3.3Å; Y137-Q139 PolarHBondContact O-N 3Å |
| 140 | S | 87.5 | Confident | 89.6 | Confident | 33 Ų | 33 | 45.9 Ų | 45.9 | 23% | 0.231 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -64.2 | 147.7 | -179.5 | 84.5 | 0 | 0 | 0 | 0 | 111.8 | M136 Y137 N142 T145 W146 | M136-S140 PolarHBondContact O-N 2.9Å; Y137-S140 WeakPolarHBondContact O-CB 3.49Å; Y137-S140 PolarHBondContact O-N 3.3Å; Y137-S140 PolarHBondContact O-OG 2.89Å; S140-N142 PolarHBondContact O-N 3.18Å; S140-T145 PolarHBondContact OG-OG1 3.21Å; S140-W146 PolarHBondContact O-NE1 2.77Å |
| 141 | Q | 79.9 | Confident | 89.6 | Confident | 200 Ų | 200 | 46.9 Ų | 46.9 | 94% | 0.935 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -73.1 | -9.7 | 176.7 | -65.8 | -177.6 | -0.7 | 0 | 0 | 113 | S143 | Q141-S143 PolarHBondContact O-N 2.98Š|
| 142 | N | 81.9 | Confident | 89.7 | Confident | 98 Ų | 98 | 46 Ų | 46 | 52% | 0.524 | 24% | 0.244 | S | C | . | . | trans | -85.7 | 100.9 | -179.3 | -175.5 | -7.1 | 0 | 0 | 0 | 110.3 | S140 G144 T145 | S140-N142 PolarHBondContact O-N 3.18Å; N142-G144 PolarHBondContact O-N 3.45Å; N142-G144 VanDerWaalsContact O-N 3.12Å; N142-G144 PolarHBondContact OD1-N 3.27Å; N142-T145 HydrophobicContact CB-CG2 4.06Å; N142-T145 PolarHBondContact O-N 3Å; N142-T145 PolarHBondContact O-OG1 3.48Å | ||
| 143 | S | 78.3 | Confident | 89.9 | Confident | 56 Ų | 56 | 40.7 Ų | 40.7 | 39% | 0.392 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58 | -24.4 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 113.9 | Q141 T145 W146 F196 | Q141-S143 PolarHBondContact O-N 2.98Å; S143-T145 PolarHBondContact O-N 2.92Å; S143-W146 PolarHBondContact O-N 2.75Å; S143-F196 WeakPolarHBondContact O-CE1 3.19Å |
| 144 | G | 81 | Confident | 90.1 | Very high | 39 Ų | 39 | 39.8 Ų | 39.8 | 40% | 0.402 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -64.1 | -22.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | N142 | N142-G144 PolarHBondContact O-N 3.45Å; N142-G144 VanDerWaalsContact O-N 3.12Å; N142-G144 PolarHBondContact OD1-N 3.27Å |
| 145 | T | 87.8 | Confident | 90.2 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 10% | 0.098 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -85.9 | -21.7 | 179.2 | 67.7 | 0 | 0 | 0 | 0 | 113.6 | I101 Y137 S140 N142 S143 Y147 S149 | I101-T145 HydrophobicContact CG2-CG2 4.12Å; Y137-T145 PolarHBondContact O-OG1 2.96Å; S140-T145 PolarHBondContact OG-OG1 3.21Å; N142-T145 HydrophobicContact CB-CG2 4.06Å; N142-T145 PolarHBondContact O-N 3Å; N142-T145 PolarHBondContact O-OG1 3.48Å; S143-T145 PolarHBondContact O-N 2.92Å; T145-Y147 PolarHBondContact O-N 3.21Å; T145-S149 WeakPolarHBondContact O-CB 3.2Å; T145-S149 PolarHBondContact O-N 3Å; T145-S149 VanDerWaalsContact O-N 3.12Å; T145-S149 PolarHBondContact O-OG 3.38Å |
| 146 | W | 90.7 | Very high | 90.3 | Very high | 34 Ų | 34 | 39.4 Ų | 39.4 | 13% | 0.129 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | -172.1 | -63.4 | -14.6 | 0 | 0 | 0 | 111.7 | S140 S143 G148 S149 L150 L185 L189 I200 | S140-W146 PolarHBondContact O-NE1 2.77Å; S143-W146 PolarHBondContact O-N 2.75Å; W146-G148 PolarHBondContact O-N 2.71Å; W146-S149 PolarHBondContact O-N 2.95Å; W146-L150 WeakPolarHBondContact O-CB 3.47Å; W146-L150 VanDerWaalsContact O-CG 3.24Å; W146-L150 WeakPolarHBondContact O-CG 3.41Å; W146-L150 PolarHBondContact O-N 3.05Å; W146-L185 HydrophobicContact CD2-CD1 3.93Å; W146-L185 HydrophobicContact CE3-CD1 3.54Å; W146-L185 HydrophobicContact CH2-CD1 4Å; W146-L185 HydrophobicContact CZ2-CD1 4.38Å; W146-L185 HydrophobicContact CZ3-CD1 3.57Å; W146-L189 HydrophobicContact CZ3-CD2 4.4Å; W146-I200 HydrophobicContact CB-CD1 4.17Å; W146-I200 HydrophobicContact CE3-CD1 4.11Å |
| 147 | Y | 90.8 | Very high | 90.4 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 7% | 0.067 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -46.9 | -177.5 | -174.5 | -116.8 | 0 | 0 | 0 | 112.6 | T145 S149 L150 L151 L199 I200 Q203 | T145-Y147 PolarHBondContact O-N 3.21Å; Y147-S149 VanDerWaalsContact C-N 3.33Å; Y147-S149 PolarHBondContact O-N 2.97Å; Y147-L150 PolarHBondContact O-N 3.4Å; Y147-L151 HydrophobicContact CD1-CD1 3.86Å; Y147-L151 HydrophobicContact CE1-CD1 3.5Å; Y147-L151 VanDerWaalsContact CE1-CD1 3.5Å; Y147-L151 HydrophobicContact CE1-CG 4.36Å; Y147-L151 HydrophobicContact CE2-CD1 4.38Å; Y147-L151 HydrophobicContact CE2-CG 4.42Å; Y147-L151 HydrophobicContact CG-CD1 4.47Å; Y147-L151 WeakPolarHBondContact O-CG 3.46Å; Y147-L151 PolarHBondContact O-N 3.27Å; Y147-L199 HydrophobicContact CD1-CD2 4.01Å; Y147-L199 HydrophobicContact CD2-CD2 3.78Å; Y147-L199 HydrophobicContact CD2-CG 4.13Å; Y147-L199 HydrophobicContact CE1-CD2 3.68Å; Y147-L199 HydrophobicContact CE2-CD1 4.48Å; Y147-L199 HydrophobicContact CE2-CD2 3.47Å; Y147-L199 VanDerWaalsContact CE2-CD2 3.47Å; Y147-L199 HydrophobicContact CE2-CG 3.56Å; Y147-L199 HydrophobicContact CG-CD2 4.05Å; Y147-L199 VanDerWaalsContact CZ-CD2 3.4Å; Y147-I200 HydrophobicContact CD2-CG1 4.36Å; Y147-Q203 HydrophobicContact CD2-CB 4.31Å; Y147-Q203 HydrophobicContact CE2-CB 4.03Å; Y147-Q203 HydrophobicContact CE2-CG 4.3Å |
| 148 | G | 91.4 | Very high | 90.4 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63 | -39 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I100 W146 L151 A152 | I100-G148 WeakPolarHBondContact CG2-O 3.45Å; W146-G148 PolarHBondContact O-N 2.71Å; G148-L151 PolarHBondContact O-N 3.09Å; G148-A152 PolarHBondContact O-N 3.03Å |
| 149 | S | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.2 | -40.8 | 177.1 | -53 | 0 | 0 | 0 | 0 | 112.1 | Y137 T145 W146 Y147 L151 A152 L153 | Y137-S149 WeakPolarHBondContact CB-OG 3.39Å; T145-S149 WeakPolarHBondContact O-CB 3.2Å; T145-S149 PolarHBondContact O-N 3Å; T145-S149 VanDerWaalsContact O-N 3.12Å; T145-S149 PolarHBondContact O-OG 3.38Å; W146-S149 PolarHBondContact O-N 2.95Å; Y147-S149 VanDerWaalsContact C-N 3.33Å; Y147-S149 PolarHBondContact O-N 2.97Å; S149-L151 VanDerWaalsContact C-N 3.35Å; S149-A152 PolarHBondContact O-N 3.45Å; S149-L153 WeakPolarHBondContact O-CB 3.49Å; S149-L153 PolarHBondContact O-N 2.95Å |
| 150 | L | 95.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.7 | -32.9 | 175.5 | -69.5 | 169.7 | 0 | 0 | 0 | 112.4 | L138 W146 Y147 A152 Y154 I182 L185 I200 Q203 V204 I207 | L138-L150 HydrophobicContact CD2-CD2 3.86Å; L138-L150 HydrophobicContact CD2-CG 3.88Å; W146-L150 WeakPolarHBondContact O-CB 3.47Å; W146-L150 VanDerWaalsContact O-CG 3.24Å; W146-L150 WeakPolarHBondContact O-CG 3.41Å; W146-L150 PolarHBondContact O-N 3.05Å; Y147-L150 PolarHBondContact O-N 3.4Å; L150-A152 VanDerWaalsContact C-N 3.33Å; L150-Y154 VanDerWaalsContact O-CB 3.28Å; L150-Y154 WeakPolarHBondContact O-CB 3.46Å; L150-Y154 PolarHBondContact O-N 3.44Å; L150-I182 HydrophobicContact CD2-CG2 3.75Å; L150-L185 HydrophobicContact CD1-CD2 4.05Å; L150-I200 HydrophobicContact CD1-CG2 3.65Å; L150-Q203 HydrophobicContact CB-CB 4.47Å; L150-Q203 HydrophobicContact CB-CG 3.67Å; L150-Q203 PolarHBondContact O-NE2 3.13Å; L150-V204 HydrophobicContact CD1-CG2 3.83Å; L150-V204 HydrophobicContact CD2-CG2 4.08Å; L150-I207 HydrophobicContact CB-CD1 4.04Å; L150-I207 HydrophobicContact CD2-CD1 3.7Å; L150-I207 HydrophobicContact CG-CD1 4.47Å; L150-I207 WeakPolarHBondContact O-CD1 3.12Å |
| 151 | L | 94.3 | Very high | 90.5 | Very high | 21 Ų | 21 | 29.5 Ų | 29.5 | 11% | 0.11 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.1 | -39.8 | 172.1 | -76 | 169.2 | 0 | 0 | 0 | 111.5 | I100 R108 T112 Y147 G148 S149 Y154 Q155 Q203 | I100-L151 HydrophobicContact CG2-CB 4.35Å; R108-L151 HydrophobicContact CG-CD1 4.05Å; T112-L151 HydrophobicContact CG2-CB 4.12Å; Y147-L151 HydrophobicContact CD1-CD1 3.86Å; Y147-L151 HydrophobicContact CE1-CD1 3.5Å; Y147-L151 VanDerWaalsContact CE1-CD1 3.5Å; Y147-L151 HydrophobicContact CE1-CG 4.36Å; Y147-L151 HydrophobicContact CE2-CD1 4.38Å; Y147-L151 HydrophobicContact CE2-CG 4.42Å; Y147-L151 HydrophobicContact CG-CD1 4.47Å; Y147-L151 WeakPolarHBondContact O-CG 3.46Å; Y147-L151 PolarHBondContact O-N 3.27Å; G148-L151 PolarHBondContact O-N 3.09Å; S149-L151 VanDerWaalsContact C-N 3.35Å; L151-Y154 PolarHBondContact O-N 3.5Å; L151-Q155 WeakPolarHBondContact O-CG 3.44Å; L151-Q155 PolarHBondContact O-N 2.9Å; L151-Q203 HydrophobicContact CD2-CG 4.35Å; L151-Q203 HydrophobicContact CG-CG 4.45Å |
| 152 | A | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.9 | -44.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I100 L115 L134 G148 S149 L150 Y154 Q155 L156 | I100-A152 HydrophobicContact CD1-CB 4.44Å; L115-A152 HydrophobicContact CD2-CB 3.46Å; L115-A152 VanDerWaalsContact CD2-CB 3.46Å; L134-A152 HydrophobicContact CD2-CB 3.56Å; G148-A152 PolarHBondContact O-N 3.03Å; S149-A152 PolarHBondContact O-N 3.45Å; L150-A152 VanDerWaalsContact C-N 3.33Å; A152-Y154 VanDerWaalsContact C-N 3.26Å; A152-Y154 PolarHBondContact O-N 2.77Å; A152-Q155 PolarHBondContact O-N 3.41Å; A152-Q155 VanDerWaalsContact O-N 3.11Å; A152-L156 PolarHBondContact O-N 2.98Å |
| 153 | L | 96.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.5 | -39.1 | 173.2 | 178.9 | 58.2 | 0 | 0 | 0 | 111.7 | L134 L138 S149 Q155 L156 V157 M175 F178 I182 I207 | L134-L153 HydrophobicContact CD1-CB 4.23Å; L134-L153 HydrophobicContact CD1-CD1 4.41Å; L138-L153 HydrophobicContact CD1-CD2 4.25Å; S149-L153 WeakPolarHBondContact O-CB 3.49Å; S149-L153 PolarHBondContact O-N 2.95Å; L153-Q155 VanDerWaalsContact C-N 3.32Å; L153-Q155 PolarHBondContact O-N 2.87Å; L153-L156 HydrophobicContact CD1-CD2 4.26Å; L153-L156 WeakPolarHBondContact O-CB 3.5Å; L153-L156 PolarHBondContact O-N 3.4Å; L153-L156 VanDerWaalsContact O-N 3.14Å; L153-V157 HydrophobicContact CD1-CG2 4.46Å; L153-V157 WeakPolarHBondContact O-CG2 3.29Å; L153-V157 PolarHBondContact O-N 3.01Å; L153-M175 HydrophobicContact CD1-SD 4.17Å; L153-F178 HydrophobicContact CD1-CB 4.35Å; L153-F178 HydrophobicContact CD1-CD2 3.58Å; L153-F178 HydrophobicContact CD1-CE2 3.99Å; L153-F178 HydrophobicContact CD1-CG 3.95Å; L153-F178 HydrophobicContact CD2-CB 3.9Å; L153-F178 HydrophobicContact CD2-CD1 4.34Å; L153-F178 HydrophobicContact CD2-CD2 4.48Å; L153-F178 HydrophobicContact CD2-CG 4Å; L153-I182 HydrophobicContact CD2-CG2 4.02Å; L153-I207 HydrophobicContact CB-CD1 4.31Å; L153-I207 HydrophobicContact CD2-CD1 4.09Å; L153-I207 HydrophobicContact CD2-CG2 4.38Å; L153-I207 HydrophobicContact CG-CD1 4.18Å; L153-I207 HydrophobicContact CG-CG2 4.33Å |
| 154 | Y | 96.2 | Very high | 90.7 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 7% | 0.071 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.6 | -38.1 | 175.8 | 177.9 | -113.2 | 0 | 0 | 0 | 112.8 | L150 L151 A152 L156 V157 K158 K206 I207 A210 | L150-Y154 VanDerWaalsContact O-CB 3.28Å; L150-Y154 WeakPolarHBondContact O-CB 3.46Å; L150-Y154 PolarHBondContact O-N 3.44Å; L151-Y154 PolarHBondContact O-N 3.5Å; A152-Y154 VanDerWaalsContact C-N 3.26Å; A152-Y154 PolarHBondContact O-N 2.77Å; Y154-L156 VanDerWaalsContact C-N 3.31Å; Y154-L156 PolarHBondContact O-N 3.37Å; Y154-V157 PolarHBondContact O-N 3.06Å; Y154-K158 HydrophobicContact CE1-CD 3.84Å; Y154-K158 WeakPolarHBondContact O-CB 3.38Å; Y154-K158 PolarHBondContact O-N 3.15Å; Y154-K206 HydrophobicContact CD2-CB 4.1Å; Y154-K206 HydrophobicContact CE2-CB 3.87Å; Y154-K206 WeakPolarHBondContact CE2-O 3.33Å; Y154-I207 HydrophobicContact CD2-CG1 4.04Å; Y154-I207 HydrophobicContact CG-CG1 4.37Å; Y154-A210 HydrophobicContact CE2-CB 4.07Å |
| 155 | Q | 95.3 | Very high | 90.4 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 6% | 0.061 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -65.2 | -36.8 | 174.7 | -58.1 | -51.2 | -35.2 | 0 | 0 | 111.8 | T112 L115 R116 I119 L151 A152 L153 K158 T159 | T112-Q155 HydrophobicContact CG2-CG 4.46Å; T112-Q155 WeakPolarHBondContact O-CG 3.49Å; L115-Q155 HydrophobicContact CD2-CB 4.4Å; L115-Q155 HydrophobicContact CG-CB 4.49Å; R116-Q155 HydrophobicContact CB-CB 4.25Å; R116-Q155 HydrophobicContact CB-CG 4.45Å; I119-Q155 HydrophobicContact CD1-CB 4.18Å; L151-Q155 WeakPolarHBondContact O-CG 3.44Å; L151-Q155 PolarHBondContact O-N 2.9Å; A152-Q155 PolarHBondContact O-N 3.41Å; A152-Q155 VanDerWaalsContact O-N 3.11Å; L153-Q155 VanDerWaalsContact C-N 3.32Å; L153-Q155 PolarHBondContact O-N 2.87Å; Q155-K158 PolarHBondContact O-N 3.21Å; Q155-T159 PolarHBondContact O-N 2.91Å; Q155-T159 PolarHBondContact O-OG1 3.12Å |
| 156 | L | 94.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -52.4 | 173.7 | -178 | 63.3 | 0 | 0 | 0 | 111.3 | I119 F123 A152 L153 Y154 K158 T159 Y160 L171 A174 | I119-L156 HydrophobicContact CD1-CB 4.08Å; I119-L156 HydrophobicContact CD1-CD1 4.38Å; I119-L156 HydrophobicContact CG2-CD1 3.65Å; F123-L156 HydrophobicContact CD1-CD1 3.59Å; F123-L156 HydrophobicContact CD2-CD1 4.28Å; F123-L156 HydrophobicContact CE1-CD1 3.69Å; F123-L156 HydrophobicContact CE2-CD1 4.38Å; F123-L156 HydrophobicContact CG-CD1 3.9Å; F123-L156 HydrophobicContact CZ-CD1 4.1Å; A152-L156 PolarHBondContact O-N 2.98Å; L153-L156 HydrophobicContact CD1-CD2 4.26Å; L153-L156 WeakPolarHBondContact O-CB 3.5Å; L153-L156 PolarHBondContact O-N 3.4Å; L153-L156 VanDerWaalsContact O-N 3.14Å; Y154-L156 VanDerWaalsContact C-N 3.31Å; Y154-L156 PolarHBondContact O-N 3.37Å; L156-K158 PolarHBondContact O-N 3.27Å; L156-T159 PolarHBondContact O-N 2.94Å; L156-Y160 HydrophobicContact CD1-CE2 4.47Å; L156-Y160 WeakPolarHBondContact O-CD2 3.49Å; L156-L171 HydrophobicContact CG-CD1 4.45Å; L156-A174 HydrophobicContact CD2-CB 4.27Å |
| 157 | V | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.7 | -42.5 | 178.7 | -174 | 0 | 0 | 0 | 0 | 111.4 | L153 Y154 T159 Y160 E161 L171 M175 I207 A210 L211 | L153-V157 HydrophobicContact CD1-CG2 4.46Å; L153-V157 WeakPolarHBondContact O-CG2 3.29Å; L153-V157 PolarHBondContact O-N 3.01Å; Y154-V157 PolarHBondContact O-N 3.06Å; V157-T159 VanDerWaalsContact C-N 3.31Å; V157-T159 PolarHBondContact O-N 2.86Å; V157-Y160 PolarHBondContact O-N 2.87Å; V157-Y160 VanDerWaalsContact O-N 3.1Å; V157-E161 PolarHBondContact O-N 3.05Å; V157-L171 HydrophobicContact CB-CD1 4.35Å; V157-L171 HydrophobicContact CG1-CD2 4.31Å; V157-L171 HydrophobicContact CG2-CD1 4.01Å; V157-M175 HydrophobicContact CG2-CE 4.5Å; V157-M175 HydrophobicContact CG2-SD 3.86Å; V157-I207 HydrophobicContact CG2-CG2 3.84Å; V157-A210 HydrophobicContact CG1-CB 3.82Å; V157-L211 HydrophobicContact CG1-CB 4.06Å |
| 158 | K | 92.2 | Very high | 89.5 | Confident | 56 Ų | 56 | 41.3 Ų | 41.3 | 24% | 0.243 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -66.1 | -28.1 | -176.9 | -164.2 | 176.2 | -173.3 | 170.6 | 0 | 113.6 | Y154 Q155 L156 Y160 E161 | Y154-K158 HydrophobicContact CE1-CD 3.84Å; Y154-K158 WeakPolarHBondContact O-CB 3.38Å; Y154-K158 PolarHBondContact O-N 3.15Å; Q155-K158 PolarHBondContact O-N 3.21Å; L156-K158 PolarHBondContact O-N 3.27Å; K158-Y160 PolarHBondContact O-N 3.4Å; K158-E161 WeakPolarHBondContact CG-OE2 3.35Å; K158-E161 WeakPolarHBondContact O-CB 3.46Å; K158-E161 PolarHBondContact O-N 3.24Å |
| 159 | T | 91.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 48.2 Ų | 48.2 | 12% | 0.123 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.2 | -27.4 | 174.7 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | R116 I119 K120 Q155 L156 V157 | R116-T159 WeakPolarHBondContact CG-OG1 3.5Å; I119-T159 HydrophobicContact CG2-CG2 4.05Å; K120-T159 HydrophobicContact CB-CG2 3.95Å; K120-T159 HydrophobicContact CG-CG2 4.4Å; Q155-T159 PolarHBondContact O-N 2.91Å; Q155-T159 PolarHBondContact O-OG1 3.12Å; L156-T159 PolarHBondContact O-N 2.94Å; V157-T159 VanDerWaalsContact C-N 3.31Å; V157-T159 PolarHBondContact O-N 2.86Å |
| 160 | Y | 90.6 | Very high | 89.3 | Confident | 19 Ų | 19 | 50 Ų | 50 | 8% | 0.075 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 3.5 | 179.4 | -74 | -93.1 | 0 | 0 | 0 | 113.8 | F123 P124 L156 V157 K158 Y162 R163 E167 R168 L171 | F123-Y160 AromaticContact CD1-CE2 3.66Å; F123-Y160 HydrophobicContact CD1-CE2 3.66Å; F123-Y160 AromaticContact CD1-CZ 3.85Å; F123-Y160 VanDerWaalsContact CD1-OH 3.28Å; F123-Y160 WeakPolarHBondContact CD1-OH 3.26Å; F123-Y160 AromaticContact CE1-CE2 3.96Å; F123-Y160 HydrophobicContact CE1-CE2 3.96Å; F123-Y160 PolarHBondContact O-OH 2.93Å; F123-Y160 VanDerWaalsContact O-OH 3.07Å; P124-Y160 WeakPolarHBondContact CD-OH 3.47Å; L156-Y160 HydrophobicContact CD1-CE2 4.47Å; L156-Y160 WeakPolarHBondContact O-CD2 3.49Å; V157-Y160 PolarHBondContact O-N 2.87Å; V157-Y160 VanDerWaalsContact O-N 3.1Å; K158-Y160 PolarHBondContact O-N 3.4Å; Y160-Y162 VanDerWaalsContact C-N 3.32Å; Y160-Y162 PolarHBondContact O-N 2.95Å; Y160-R163 HydrophobicContact CD1-CB 4.32Å; Y160-R163 HydrophobicContact CD1-CG 4.03Å; Y160-R163 HydrophobicContact CG-CG 4.47Å; Y160-R163 PolarHBondContact O-N 2.83Å; Y160-E167 WeakPolarHBondContact CD1-O 3.49Å; Y160-E167 VanDerWaalsContact CE1-O 3.29Å; Y160-E167 WeakPolarHBondContact CE1-O 3.39Å; Y160-R168 HydrophobicContact CD1-CG 4.45Å; Y160-L171 HydrophobicContact CD1-CB 4.23Å; Y160-L171 HydrophobicContact CD2-CB 4.15Å; Y160-L171 HydrophobicContact CG-CB 3.91Å; Y160-L171 HydrophobicContact CG-CD2 4.29Å |
| 161 | E | 86.3 | Confident | 89.2 | Confident | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -44 | -175.3 | -179.1 | 176 | -165.4 | 0 | 0 | 112.5 | V157 K158 Q213 Y214 | V157-E161 PolarHBondContact O-N 3.05Å; K158-E161 WeakPolarHBondContact CG-OE2 3.35Å; K158-E161 WeakPolarHBondContact O-CB 3.46Å; K158-E161 PolarHBondContact O-N 3.24Å; E161-Q213 PolarHBondContact OE1-OE1 3.09Å; E161-Q213 VanDerWaalsContact OE1-OE1 3.08Å; E161-Y214 HydrophobicContact CG-CD2 3.7Å; E161-Y214 HydrophobicContact CG-CE2 3.77Å; E161-Y214 WeakPolarHBondContact O-CD2 3.36Å |
| 162 | Y | 83.8 | Confident | 89.2 | Confident | 154 Ų | 154 | 50.5 Ų | 50.5 | 60% | 0.604 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.6 | 5.5 | -177 | -56.6 | -85.2 | 0 | 0 | 0 | 113.7 | Y160 Y214 | Y160-Y162 VanDerWaalsContact C-N 3.32Å; Y160-Y162 PolarHBondContact O-N 2.95Å; Y162-Y214 HydrophobicContact CD1-CD2 4.48Å; Y162-Y214 AromaticContact CD1-CE2 3.95Å; Y162-Y214 HydrophobicContact CD1-CE2 3.95Å; Y162-Y214 HydrophobicContact CE1-CD2 4.46Å; Y162-Y214 HydrophobicContact CE1-CE1 4.49Å; Y162-Y214 AromaticContact CE1-CE2 3.53Å; Y162-Y214 HydrophobicContact CE1-CE2 3.53Å; Y162-Y214 AromaticContact CE1-CZ 3.55Å; Y162-Y214 WeakPolarHBondContact CE1-OH 3.35Å |
| 163 | R | 83.8 | Confident | 89 | Confident | 105 Ų | 105 | 53 Ų | 53 | 40% | 0.396 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -76.1 | 147.6 | 179.7 | -68.3 | -77.3 | 179.8 | 178.5 | 3.2 | 110.3 | Y160 E167 R168 | Y160-R163 HydrophobicContact CD1-CB 4.32Å; Y160-R163 HydrophobicContact CD1-CG 4.03Å; Y160-R163 HydrophobicContact CG-CG 4.47Å; Y160-R163 PolarHBondContact O-N 2.83Å; R163-E167 HydrophobicContact CB-CB 4.17Å; R163-E167 WeakPolarHBondContact CD-OE2 3.49Å; R163-E167 IonicContact CZ-OE2 2.88Å; R163-E167 IonicContact NE-OE2 2.88Å; R163-E167 IonicContact NH1-OE2 2.83Å; R163-E167 PolarHBondContact NH1-OE2 3.09Å; R163-R168 HydrophobicContact CB-CG 3.91Å; R163-R168 VanDerWaalsContact O-CD 3.32Å; R163-R168 WeakPolarHBondContact O-CD 3.29Å |
| 164 | K | 77.5 | Confident | 88.9 | Confident | 153 Ų | 153 | 53.2 Ų | 53.2 | 67% | 0.665 | 26% | 0.264 | S | S | * | . | trans | -61.6 | 156.8 | 173.9 | -66.4 | -175.4 | -179.7 | -178.1 | 0 | 110.5 | D166 E167 R168 | K164-D166 PolarHBondContact O-N 3.35Å; K164-E167 PolarHBondContact O-N 3.29Å; K164-E167 VanDerWaalsContact O-N 3.08Å; K164-R168 WeakPolarHBondContact O-CG 3.26Å; K164-R168 PolarHBondContact O-N 3.38Å | ||
| 165 | A | 75.3 | Confident | 88.8 | Confident | 63 Ų | 63 | 52.3 Ų | 52.3 | 52% | 0.521 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -53 | -42 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E167 R168 | A165-E167 VanDerWaalsContact C-N 3.34Å; A165-E167 PolarHBondContact O-N 3.38Å; A165-R168 WeakPolarHBondContact O-CB 3.39Å; A165-R168 PolarHBondContact O-N 2.97Å; A165-R168 VanDerWaalsContact O-N 3.13Å |
| 166 | D | 77.3 | Confident | 88.8 | Confident | 140 Ų | 140 | 57.8 Ų | 57.8 | 75% | 0.749 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -67.3 | -33.8 | -177.7 | -41.5 | -33.3 | 0 | 0 | 0 | 112.2 | K164 R168 | K164-D166 PolarHBondContact O-N 3.35Å; D166-R168 PolarHBondContact O-N 3.43Å |
| 167 | E | 84.1 | Confident | 88.7 | Confident | 90 Ų | 90 | 61.9 Ų | 61.9 | 42% | 0.421 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -77.7 | -8 | 177.8 | -64.8 | -178.3 | -173.3 | 0 | 0 | 112.8 | Y160 R163 K164 A165 | Y160-E167 WeakPolarHBondContact CD1-O 3.49Å; Y160-E167 VanDerWaalsContact CE1-O 3.29Å; Y160-E167 WeakPolarHBondContact CE1-O 3.39Å; R163-E167 HydrophobicContact CB-CB 4.17Å; R163-E167 WeakPolarHBondContact CD-OE2 3.49Å; R163-E167 IonicContact CZ-OE2 2.88Å; R163-E167 IonicContact NE-OE2 2.88Å; R163-E167 IonicContact NH1-OE2 2.83Å; R163-E167 PolarHBondContact NH1-OE2 3.09Å; K164-E167 PolarHBondContact O-N 3.29Å; K164-E167 VanDerWaalsContact O-N 3.08Å; A165-E167 VanDerWaalsContact C-N 3.34Å; A165-E167 PolarHBondContact O-N 3.38Å |
| 168 | R | 88.9 | Confident | 88.7 | Confident | 3 Ų | 3 | 62 Ų | 62 | 1% | 0.011 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -92.8 | -5.1 | -176.4 | -69.3 | 174.1 | 64.6 | 149.3 | 0.9 | 113.9 | Y160 R163 K164 A165 D166 P170 L171 L172 L211 | Y160-R168 HydrophobicContact CD1-CG 4.45Å; R163-R168 HydrophobicContact CB-CG 3.91Å; R163-R168 VanDerWaalsContact O-CD 3.32Å; R163-R168 WeakPolarHBondContact O-CD 3.29Å; K164-R168 WeakPolarHBondContact O-CG 3.26Å; K164-R168 PolarHBondContact O-N 3.38Å; A165-R168 WeakPolarHBondContact O-CB 3.39Å; A165-R168 PolarHBondContact O-N 2.97Å; A165-R168 VanDerWaalsContact O-N 3.13Å; D166-R168 PolarHBondContact O-N 3.43Å; R168-P170 VanDerWaalsContact C-CD 3.4Å; R168-P170 VanDerWaalsContact C-N 3.33Å; R168-L171 WeakPolarHBondContact O-CA 3.24Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 3.12Å; R168-L172 WeakPolarHBondContact O-CG 3.45Å; R168-L172 PolarHBondContact O-N 2.86Å; R168-L211 PolarHBondContact NH2-O 3.09Å |
| 169 | E | 90.4 | Very high | 88.9 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -49.6 | -44 | 179.5 | -170.9 | 178.8 | -166.8 | 0 | 0 | 113.8 | L171 L172 A173 | E169-L171 VanDerWaalsContact C-N 3.33Å; E169-L171 PolarHBondContact O-N 3.31Å; E169-L172 PolarHBondContact O-N 2.93Å; E169-L172 VanDerWaalsContact O-N 3.13Å; E169-A173 PolarHBondContact O-N 3.25Å |
| 170 | P | 91.1 | Very high | 89 | Confident | 37 Ų | 37 | 62 Ų | 62 | 24% | 0.24 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 178.4 | -20.2 | 33.4 | 0 | 0 | 0 | 113.5 | F123 P124 R168 A174 | F123-P170 HydrophobicContact CE1-CB 3.94Å; F123-P170 HydrophobicContact CZ-CB 4.36Å; P124-P170 HydrophobicContact CB-CB 3.8Å; P124-P170 HydrophobicContact CB-CG 4.36Å; P124-P170 HydrophobicContact CG-CB 3.63Å; P124-P170 HydrophobicContact CG-CG 3.64Å; R168-P170 VanDerWaalsContact C-CD 3.4Å; R168-P170 VanDerWaalsContact C-N 3.33Å; P170-A174 PolarHBondContact O-N 3.25Å |
| 171 | L | 93.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 172.9 | 169 | 67.4 | 0 | 0 | 0 | 110.2 | L156 V157 Y160 R168 E169 A173 A174 M175 L211 | L156-L171 HydrophobicContact CG-CD1 4.45Å; V157-L171 HydrophobicContact CB-CD1 4.35Å; V157-L171 HydrophobicContact CG1-CD2 4.31Å; V157-L171 HydrophobicContact CG2-CD1 4.01Å; Y160-L171 HydrophobicContact CD1-CB 4.23Å; Y160-L171 HydrophobicContact CD2-CB 4.15Å; Y160-L171 HydrophobicContact CG-CB 3.91Å; Y160-L171 HydrophobicContact CG-CD2 4.29Å; R168-L171 WeakPolarHBondContact O-CA 3.24Å; R168-L171 WeakPolarHBondContact O-CB 3.41Å; R168-L171 PolarHBondContact O-N 3.12Å; E169-L171 VanDerWaalsContact C-N 3.33Å; E169-L171 PolarHBondContact O-N 3.31Å; L171-A173 VanDerWaalsContact C-N 3.32Å; L171-A173 PolarHBondContact O-N 3.24Å; L171-A174 PolarHBondContact O-N 3.1Å; L171-M175 HydrophobicContact CD1-CG 3.78Å; L171-M175 HydrophobicContact CD1-SD 4.46Å; L171-M175 HydrophobicContact CG-CG 4.19Å; L171-M175 WeakPolarHBondContact O-CB 3.37Å; L171-M175 WeakPolarHBondContact O-CG 3.35Å; L171-M175 PolarHBondContact O-N 2.76Å; L171-L211 HydrophobicContact CD2-CD1 4.13Å |
| 172 | L | 92.7 | Very high | 89.6 | Confident | 32 Ų | 32 | 62.7 Ų | 62.7 | 17% | 0.168 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | -178.8 | -63.6 | -177.5 | 0 | 0 | 0 | 111.4 | R168 E169 A174 M175 Q176 L211 P217 L220 | R168-L172 WeakPolarHBondContact O-CG 3.45Å; R168-L172 PolarHBondContact O-N 2.86Å; E169-L172 PolarHBondContact O-N 2.93Å; E169-L172 VanDerWaalsContact O-N 3.13Å; L172-A174 PolarHBondContact O-N 2.99Å; L172-M175 PolarHBondContact O-N 3.21Å; L172-Q176 WeakPolarHBondContact O-CG 3.46Å; L172-Q176 PolarHBondContact O-N 2.84Å; L172-L211 HydrophobicContact CD2-CD1 4.48Å; L172-P217 HydrophobicContact CD1-CB 4.18Å; L172-P217 HydrophobicContact CD2-CB 3.52Å; L172-P217 HydrophobicContact CD2-CG 3.75Å; L172-L220 HydrophobicContact CD2-CD2 4.49Å |
| 173 | A | 92.4 | Very high | 90.1 | Very high | 52 Ų | 52 | 56 Ų | 56 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -45 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | E169 L171 M175 Q176 | E169-A173 PolarHBondContact O-N 3.25Å; L171-A173 VanDerWaalsContact C-N 3.32Å; L171-A173 PolarHBondContact O-N 3.24Å; A173-M175 PolarHBondContact O-N 2.93Å; A173-Q176 PolarHBondContact O-N 2.69Å |
| 174 | A | 94 | Very high | 90.5 | Very high | 5 Ų | 5 | 55.8 Ų | 55.8 | 4% | 0.041 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | V131 L156 P170 L171 L172 Q176 I177 F178 | V131-A174 HydrophobicContact CG2-CB 4.01Å; L156-A174 HydrophobicContact CD2-CB 4.27Å; P170-A174 PolarHBondContact O-N 3.25Å; L171-A174 PolarHBondContact O-N 3.1Å; L172-A174 PolarHBondContact O-N 2.99Å; A174-Q176 VanDerWaalsContact C-N 3.3Å; A174-Q176 PolarHBondContact O-N 3.41Å; A174-I177 PolarHBondContact O-N 3.31Å; A174-I177 VanDerWaalsContact O-N 3.13Å; A174-F178 HydrophobicContact CB-CD2 4.34Å; A174-F178 HydrophobicContact CB-CE2 4.25Å; A174-F178 WeakPolarHBondContact O-CD2 3.41Å; A174-F178 PolarHBondContact O-N 2.68Å |
| 175 | M | 95.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.5 | -19.5 | -178.6 | -69.2 | -55.4 | -66.2 | 0 | 0 | 113.9 | L153 V157 L171 L172 A173 I177 F178 L179 I182 I207 L211 L220 | L153-M175 HydrophobicContact CD1-SD 4.17Å; V157-M175 HydrophobicContact CG2-CE 4.5Å; V157-M175 HydrophobicContact CG2-SD 3.86Å; L171-M175 HydrophobicContact CD1-CG 3.78Å; L171-M175 HydrophobicContact CD1-SD 4.46Å; L171-M175 HydrophobicContact CG-CG 4.19Å; L171-M175 WeakPolarHBondContact O-CB 3.37Å; L171-M175 WeakPolarHBondContact O-CG 3.35Å; L171-M175 PolarHBondContact O-N 2.76Å; L172-M175 PolarHBondContact O-N 3.21Å; A173-M175 PolarHBondContact O-N 2.93Å; M175-I177 PolarHBondContact O-N 3.04Å; M175-F178 HydrophobicContact CE-CB 4.48Å; M175-F178 PolarHBondContact O-N 3.34Å; M175-F178 HydrophobicContact SD-CB 4.15Å; M175-L179 HydrophobicContact CE-CB 4.31Å; M175-L179 HydrophobicContact CE-CD1 4.34Å; M175-L179 WeakPolarHBondContact O-CB 3.43Å; M175-L179 PolarHBondContact O-N 3.42Å; M175-I182 HydrophobicContact CE-CD1 4.18Å; M175-I207 HydrophobicContact CE-CG2 4.17Å; M175-L211 HydrophobicContact CE-CD2 3.96Å; M175-L211 HydrophobicContact CG-CD1 4.12Å; M175-L220 HydrophobicContact CB-CD2 3.61Å |
| 176 | Q | 94.1 | Very high | 92.1 | Very high | 128 Ų | 128 | 45.5 Ų | 45.5 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -58.2 | -32.9 | 167.9 | -72.4 | 173.5 | 6.2 | 0 | 0 | 112.2 | L172 A173 A174 P180 L220 | L172-Q176 WeakPolarHBondContact O-CG 3.46Å; L172-Q176 PolarHBondContact O-N 2.84Å; A173-Q176 PolarHBondContact O-N 2.69Å; A174-Q176 VanDerWaalsContact C-N 3.3Å; A174-Q176 PolarHBondContact O-N 3.41Å; Q176-P180 WeakPolarHBondContact O-CD 3.47Å; Q176-L220 HydrophobicContact CB-CD1 4.34Å; Q176-L220 HydrophobicContact CG-CD1 3.84Å |
| 177 | I | 93.4 | Very high | 92.9 | Very high | 86 Ų | 86 | 41.5 Ų | 41.5 | 44% | 0.441 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -83.5 | -46.2 | 177.6 | -57.4 | 170 | 0 | 0 | 0 | 110.4 | V131 A174 M175 | V131-I177 HydrophobicContact CG1-CD1 4.07Å; A174-I177 PolarHBondContact O-N 3.31Å; A174-I177 VanDerWaalsContact O-N 3.13Å; M175-I177 PolarHBondContact O-N 3.04Å |
| 178 | F | 95.6 | Very high | 93.2 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.009 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -81.3 | -35.1 | -170.7 | -65.3 | -56.9 | 0 | 0 | 0 | 114.5 | V131 L134 L138 L153 A174 M175 R181 I182 | V131-F178 HydrophobicContact CB-CE2 4.46Å; V131-F178 HydrophobicContact CB-CZ 4.46Å; V131-F178 HydrophobicContact CG1-CE2 3.86Å; V131-F178 HydrophobicContact CG1-CZ 3.89Å; V131-F178 WeakPolarHBondContact O-CZ 3.28Å; L134-F178 HydrophobicContact CB-CE1 3.81Å; L134-F178 HydrophobicContact CB-CZ 3.62Å; L134-F178 HydrophobicContact CD1-CZ 4.42Å; L138-F178 HydrophobicContact CD1-CD1 3.85Å; L138-F178 HydrophobicContact CD1-CE1 4.1Å; L153-F178 HydrophobicContact CD1-CB 4.35Å; L153-F178 HydrophobicContact CD1-CD2 3.58Å; L153-F178 HydrophobicContact CD1-CE2 3.99Å; L153-F178 HydrophobicContact CD1-CG 3.95Å; L153-F178 HydrophobicContact CD2-CB 3.9Å; L153-F178 HydrophobicContact CD2-CD1 4.34Å; L153-F178 HydrophobicContact CD2-CD2 4.48Å; L153-F178 HydrophobicContact CD2-CG 4Å; A174-F178 HydrophobicContact CB-CD2 4.34Å; A174-F178 HydrophobicContact CB-CE2 4.25Å; A174-F178 WeakPolarHBondContact O-CD2 3.41Å; A174-F178 PolarHBondContact O-N 2.68Å; M175-F178 HydrophobicContact CE-CB 4.48Å; M175-F178 PolarHBondContact O-N 3.34Å; M175-F178 HydrophobicContact SD-CB 4.15Å; F178-R181 PolarHBondContact O-N 3.05Å; F178-R181 VanDerWaalsContact O-N 3.12Å; F178-I182 WeakPolarHBondContact O-CG1 3.4Å; F178-I182 PolarHBondContact O-N 2.9Å |
| 179 | L | 94.7 | Very high | 93.3 | Very high | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59 | -47.9 | -173.7 | -173.8 | 69 | 0 | 0 | 0 | 112.5 | M175 R181 I182 Q183 F208 L211 L220 I221 V225 W229 | M175-L179 HydrophobicContact CE-CB 4.31Å; M175-L179 HydrophobicContact CE-CD1 4.34Å; M175-L179 WeakPolarHBondContact O-CB 3.43Å; M175-L179 PolarHBondContact O-N 3.42Å; L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 2.89Å; L179-I182 HydrophobicContact CD1-CD1 4.17Å; L179-I182 HydrophobicContact CD1-CG1 4.43Å; L179-I182 VanDerWaalsContact O-CG1 3.32Å; L179-I182 WeakPolarHBondContact O-CG1 3.23Å; L179-I182 PolarHBondContact O-N 3.34Å; L179-Q183 VanDerWaalsContact O-CB 3.26Å; L179-Q183 WeakPolarHBondContact O-CB 3.39Å; L179-Q183 PolarHBondContact O-N 3.04Å; L179-F208 HydrophobicContact CD1-CD2 3.97Å; L179-F208 HydrophobicContact CD1-CE2 4.27Å; L179-L211 HydrophobicContact CD1-CD2 4.3Å; L179-L220 HydrophobicContact CD2-CD1 4.11Å; L179-L220 HydrophobicContact CD2-CD2 3.93Å; L179-L220 HydrophobicContact CD2-CG 3.69Å; L179-I221 HydrophobicContact CD2-CG1 3.9Å; L179-V225 HydrophobicContact CD2-CG1 4.02Å; L179-W229 HydrophobicContact CD1-CZ2 3.79Å |
| 180 | P | 94.1 | Very high | 93.2 | Very high | 73 Ų | 73 | 37.4 Ų | 37.4 | 47% | 0.474 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.3 | -21.4 | 34 | 0 | 0 | 0 | 112.4 | Q176 Q184 | Q176-P180 WeakPolarHBondContact O-CD 3.47Å; P180-Q184 WeakPolarHBondContact O-CB 3.41Å; P180-Q184 PolarHBondContact O-N 3.33Å |
| 181 | R | 93.6 | Very high | 93.1 | Very high | 44 Ų | 44 | 41 Ų | 41 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.5 | -46.3 | -179.4 | 178.7 | 59.3 | -171.2 | 138.3 | 5.5 | 112 | L138 F178 L179 Q183 Q184 L185 | L138-R181 HydrophobicContact CB-CG 4.39Å; L138-R181 PolarHBondContact O-NE 3.45Å; L138-R181 PolarHBondContact O-NH2 3.12Å; F178-R181 PolarHBondContact O-N 3.05Å; F178-R181 VanDerWaalsContact O-N 3.12Å; L179-R181 VanDerWaalsContact C-N 3.29Å; L179-R181 PolarHBondContact O-N 2.89Å; R181-Q183 VanDerWaalsContact C-N 3.29Å; R181-Q183 PolarHBondContact O-N 3.48Å; R181-Q184 PolarHBondContact O-N 3.05Å; R181-L185 WeakPolarHBondContact O-CB 3.49Å; R181-L185 PolarHBondContact O-N 2.69Å |
| 182 | I | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.9 | -31.7 | 178.8 | 67.6 | 179.1 | 0 | 0 | 0 | 111.5 | L150 L153 M175 F178 L179 L185 I186 V204 I207 W229 | L150-I182 HydrophobicContact CD2-CG2 3.75Å; L153-I182 HydrophobicContact CD2-CG2 4.02Å; M175-I182 HydrophobicContact CE-CD1 4.18Å; F178-I182 WeakPolarHBondContact O-CG1 3.4Å; F178-I182 PolarHBondContact O-N 2.9Å; L179-I182 HydrophobicContact CD1-CD1 4.17Å; L179-I182 HydrophobicContact CD1-CG1 4.43Å; L179-I182 VanDerWaalsContact O-CG1 3.32Å; L179-I182 WeakPolarHBondContact O-CG1 3.23Å; L179-I182 PolarHBondContact O-N 3.34Å; I182-L185 PolarHBondContact O-N 3.31Å; I182-I186 WeakPolarHBondContact O-CG2 3.31Å; I182-I186 PolarHBondContact O-N 2.88Å; I182-V204 HydrophobicContact CB-CG1 4.03Å; I182-V204 HydrophobicContact CB-CG2 4.36Å; I182-V204 HydrophobicContact CD1-CG1 4.4Å; I182-V204 HydrophobicContact CG1-CG1 4.29Å; I182-I207 HydrophobicContact CD1-CG2 3.95Å; I182-W229 HydrophobicContact CD1-CZ2 4.48Å; I182-W229 HydrophobicContact CG1-CH2 4.37Å; I182-W229 HydrophobicContact CG1-CZ2 4.19Å |
| 183 | Q | 94.4 | Very high | 92.3 | Very high | 13 Ų | 13 | 45.6 Ų | 45.6 | 6% | 0.061 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.9 | -45.9 | 173 | -174.7 | 175.5 | 39.2 | 0 | 0 | 111.7 | L179 R181 L185 I186 S187 V225 Q228 W229 I232 | L179-Q183 VanDerWaalsContact O-CB 3.26Å; L179-Q183 WeakPolarHBondContact O-CB 3.39Å; L179-Q183 PolarHBondContact O-N 3.04Å; R181-Q183 VanDerWaalsContact C-N 3.29Å; R181-Q183 PolarHBondContact O-N 3.48Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.37Å; Q183-I186 VanDerWaalsContact O-CG2 3.24Å; Q183-I186 WeakPolarHBondContact O-CG2 3.4Å; Q183-S187 WeakPolarHBondContact O-CB 3.46Å; Q183-S187 PolarHBondContact O-N 3.03Å; Q183-S187 VanDerWaalsContact O-N 3.16Å; Q183-S187 PolarHBondContact O-OG 3.27Å; Q183-S187 VanDerWaalsContact O-OG 3.06Å; Q183-V225 PolarHBondContact NE2-O 2.85Å; Q183-Q228 VanDerWaalsContact CD-OE1 3.29Å; Q183-W229 HydrophobicContact CB-CZ2 3.82Å; Q183-W229 HydrophobicContact CG-CZ2 4.26Å; Q183-W229 VanDerWaalsContact NE2-CD1 3.26Å; Q183-I232 HydrophobicContact CG-CD1 3.85Å |
| 184 | Q | 92.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 46.6 Ų | 46.6 | 47% | 0.467 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.2 | -42.5 | 173.6 | -173.2 | -169 | 15.5 | 0 | 0 | 111.4 | P180 R181 S187 Q188 | P180-Q184 WeakPolarHBondContact O-CB 3.41Å; P180-Q184 PolarHBondContact O-N 3.33Å; R181-Q184 PolarHBondContact O-N 3.05Å; Q184-S187 PolarHBondContact O-N 2.97Å; Q184-Q188 VanDerWaalsContact O-CG 3.29Å; Q184-Q188 WeakPolarHBondContact O-CG 3.47Å; Q184-Q188 PolarHBondContact O-N 3.18Å |
| 185 | L | 92.8 | Very high | 91.7 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -48.6 | -178.6 | -178.8 | 64.8 | 0 | 0 | 0 | 111.8 | W146 L150 R181 I182 Q183 S187 Q188 L189 I200 | W146-L185 HydrophobicContact CD2-CD1 3.93Å; W146-L185 HydrophobicContact CE3-CD1 3.54Å; W146-L185 HydrophobicContact CH2-CD1 4Å; W146-L185 HydrophobicContact CZ2-CD1 4.38Å; W146-L185 HydrophobicContact CZ3-CD1 3.57Å; L150-L185 HydrophobicContact CD1-CD2 4.05Å; R181-L185 WeakPolarHBondContact O-CB 3.49Å; R181-L185 PolarHBondContact O-N 2.69Å; I182-L185 PolarHBondContact O-N 3.31Å; Q183-L185 VanDerWaalsContact C-N 3.31Å; Q183-L185 PolarHBondContact O-N 3.37Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.39Å; L185-Q188 PolarHBondContact O-N 2.95Å; L185-L189 HydrophobicContact CD1-CD1 3.95Å; L185-L189 HydrophobicContact CD1-CG 4.38Å; L185-L189 HydrophobicContact CG-CD1 3.98Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 VanDerWaalsContact O-CG 3.29Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 2.89Å; L185-L189 VanDerWaalsContact O-N 3.1Å; L185-I200 HydrophobicContact CD2-CG2 4.02Å; L185-I200 HydrophobicContact CG-CG2 4.4Å |
| 186 | I | 94.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 179 | -167.3 | 170 | 0 | 0 | 0 | 110.7 | I182 Q183 Q188 L189 L190 Q201 V204 L205 W229 I232 I236 | I182-I186 WeakPolarHBondContact O-CG2 3.31Å; I182-I186 PolarHBondContact O-N 2.88Å; Q183-I186 VanDerWaalsContact O-CG2 3.24Å; Q183-I186 WeakPolarHBondContact O-CG2 3.4Å; I186-Q188 VanDerWaalsContact C-N 3.34Å; I186-Q188 PolarHBondContact O-N 2.93Å; I186-L189 PolarHBondContact O-N 3.49Å; I186-L189 VanDerWaalsContact O-N 3.1Å; I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.41Å; I186-Q201 HydrophobicContact CD1-CB 4.36Å; I186-Q201 HydrophobicContact CG1-CB 4.25Å; I186-Q201 HydrophobicContact CG1-CG 4.05Å; I186-V204 HydrophobicContact CB-CB 4.46Å; I186-V204 HydrophobicContact CB-CG1 4.05Å; I186-V204 HydrophobicContact CD1-CB 4.26Å; I186-V204 HydrophobicContact CD1-CG1 4.04Å; I186-V204 HydrophobicContact CG2-CG1 4.29Å; I186-L205 HydrophobicContact CD1-CD2 4.08Å; I186-L205 HydrophobicContact CD1-CG 4.1Å; I186-W229 HydrophobicContact CG2-CH2 4.3Å; I186-W229 HydrophobicContact CG2-CZ3 4.19Å; I186-I232 HydrophobicContact CD1-CG2 3.89Å; I186-I232 HydrophobicContact CG1-CG2 4.13Å; I186-I232 HydrophobicContact CG2-CD1 3.86Å; I186-I232 HydrophobicContact CG2-CG2 4Å; I186-I236 HydrophobicContact CD1-CD1 4.01Å |
| 187 | S | 93 | Very high | 91.3 | Very high | 56 Ų | 56 | 50.4 Ų | 50.4 | 39% | 0.392 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.1 | -40.6 | 177.3 | -64.2 | 0 | 0 | 0 | 0 | 113 | Q183 Q184 L185 L189 I232 | Q183-S187 WeakPolarHBondContact O-CB 3.46Å; Q183-S187 PolarHBondContact O-N 3.03Å; Q183-S187 VanDerWaalsContact O-N 3.16Å; Q183-S187 PolarHBondContact O-OG 3.27Å; Q183-S187 VanDerWaalsContact O-OG 3.06Å; Q184-S187 PolarHBondContact O-N 2.97Å; L185-S187 VanDerWaalsContact C-N 3.34Å; L185-S187 PolarHBondContact O-N 3.39Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 3.03Å; S187-I232 WeakPolarHBondContact OG-CD1 3.15Å |
| 188 | Q | 91.6 | Very high | 91.2 | Very high | 98 Ų | 98 | 46.3 Ų | 46.3 | 46% | 0.458 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 175.5 | -75.4 | 173.6 | -12.8 | 0 | 0 | 112.4 | Q184 L185 I186 S191 | Q184-Q188 VanDerWaalsContact O-CG 3.29Å; Q184-Q188 WeakPolarHBondContact O-CG 3.47Å; Q184-Q188 PolarHBondContact O-N 3.18Å; L185-Q188 PolarHBondContact O-N 2.95Å; I186-Q188 VanDerWaalsContact C-N 3.34Å; I186-Q188 PolarHBondContact O-N 2.93Å; Q188-S191 PolarHBondContact O-OG 3.08Å |
| 189 | L | 91.4 | Very high | 90.9 | Very high | 18 Ų | 18 | 48.1 Ų | 48.1 | 9% | 0.094 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -84.6 | -13.2 | -176.1 | -70.8 | 176.9 | 0 | 0 | 0 | 113.6 | W146 L185 I186 S187 S191 D192 S197 I200 Q201 | W146-L189 HydrophobicContact CZ3-CD2 4.4Å; L185-L189 HydrophobicContact CD1-CD1 3.95Å; L185-L189 HydrophobicContact CD1-CG 4.38Å; L185-L189 HydrophobicContact CG-CD1 3.98Å; L185-L189 WeakPolarHBondContact O-CB 3.48Å; L185-L189 VanDerWaalsContact O-CG 3.29Å; L185-L189 WeakPolarHBondContact O-CG 3.38Å; L185-L189 PolarHBondContact O-N 2.89Å; L185-L189 VanDerWaalsContact O-N 3.1Å; I186-L189 PolarHBondContact O-N 3.49Å; I186-L189 VanDerWaalsContact O-N 3.1Å; S187-L189 VanDerWaalsContact C-N 3.31Å; S187-L189 PolarHBondContact O-N 3.03Å; L189-S191 PolarHBondContact O-N 2.88Å; L189-D192 PolarHBondContact O-N 2.82Å; L189-S197 WeakPolarHBondContact CB-OG 3.5Å; L189-S197 PolarHBondContact O-OG 3.06Å; L189-I200 HydrophobicContact CD1-CB 3.87Å; L189-I200 HydrophobicContact CD1-CD1 4.34Å; L189-I200 HydrophobicContact CD1-CG2 3.36Å; L189-Q201 HydrophobicContact CB-CG 4.18Å; L189-Q201 PolarHBondContact O-NE2 3.21Å |
| 190 | L | 88.6 | Confident | 90.8 | Very high | 38 Ų | 38 | 48 Ų | 48 | 20% | 0.199 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -34.1 | -179.1 | -78.2 | 178.6 | 0 | 0 | 0 | 113.5 | I186 I232 I236 R239 | I186-L190 WeakPolarHBondContact O-CG 3.45Å; I186-L190 PolarHBondContact O-N 3.41Å; L190-I232 HydrophobicContact CD1-CG1 4.43Å; L190-I232 HydrophobicContact CD1-CG2 4.33Å; L190-I236 HydrophobicContact CD2-CD1 4.02Å; L190-I236 HydrophobicContact CD2-CG1 3.52Å; L190-R239 PolarHBondContact O-NH1 3.46Å |
| 191 | S | 87.3 | Confident | 90.9 | Very high | 113 Ų | 113 | 44.5 Ų | 44.5 | 79% | 0.79 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -16.5 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | Q188 L189 | Q188-S191 PolarHBondContact O-OG 3.08Å; L189-S191 PolarHBondContact O-N 2.88Å |
| 192 | D | 86.8 | Confident | 90.9 | Very high | 62 Ų | 62 | 43.7 Ų | 43.7 | 33% | 0.332 | 25% | 0.245 | S | C | . | . | trans | -90.9 | 112.7 | 178.9 | -179.5 | -0.4 | 0 | 0 | 0 | 110.4 | L189 T194 S197 | L189-D192 PolarHBondContact O-N 2.82Å; D192-T194 VanDerWaalsContact C-N 3.31Å; D192-T194 VanDerWaalsContact CG-OG1 3.29Å; D192-T194 PolarHBondContact O-N 3.35Å; D192-T194 WeakPolarHBondContact OD1-CB 3.41Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.47Å; D192-T194 PolarHBondContact OD1-N 3.33Å; D192-T194 PolarHBondContact OD1-OG1 3.17Å; D192-T194 PolarHBondContact OD2-OG1 3.38Å; D192-T194 VanDerWaalsContact OD2-OG1 3.14Å; D192-S197 WeakPolarHBondContact O-CB 3.44Å; D192-S197 PolarHBondContact O-OG 3.44Å | ||
| 193 | A | 83.4 | Confident | 90.9 | Very high | 66 Ų | 66 | 43.7 Ų | 43.7 | 55% | 0.545 | 25% | 0.245 | S | C | . | . | trans | -84.9 | 6.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W258 | A193-W258 HydrophobicContact CB-CH2 4.19Å; A193-W258 HydrophobicContact CB-CZ2 4.19Å; A193-W258 WeakPolarHBondContact O-CZ2 3.49Å | ||
| 194 | T | 88.6 | Confident | 91 | Very high | 72 Ų | 72 | 43.1 Ų | 43.1 | 44% | 0.442 | 24% | 0.242 | S | C | . | . | trans | -65.8 | 145.3 | 176.6 | 59.4 | 0 | 0 | 0 | 0 | 112.2 | D192 F196 S197 V198 | D192-T194 VanDerWaalsContact C-N 3.31Å; D192-T194 VanDerWaalsContact CG-OG1 3.29Å; D192-T194 PolarHBondContact O-N 3.35Å; D192-T194 WeakPolarHBondContact OD1-CB 3.41Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.47Å; D192-T194 PolarHBondContact OD1-N 3.33Å; D192-T194 PolarHBondContact OD1-OG1 3.17Å; D192-T194 PolarHBondContact OD2-OG1 3.38Å; D192-T194 VanDerWaalsContact OD2-OG1 3.14Å; T194-F196 PolarHBondContact O-N 3.47Å; T194-S197 WeakPolarHBondContact O-CB 3.33Å; T194-S197 PolarHBondContact O-N 2.97Å; T194-S197 VanDerWaalsContact O-N 3.08Å; T194-S197 VanDerWaalsContact OG1-CB 3.24Å; T194-S197 WeakPolarHBondContact OG1-CB 3.45Å; T194-S197 PolarHBondContact OG1-N 3.35Å; T194-V198 WeakPolarHBondContact O-CG2 3.37Å; T194-V198 PolarHBondContact O-N 3.41Å | ||
| 195 | I | 85.7 | Confident | 91.2 | Very high | 127 Ų | 127 | 38.3 Ų | 38.3 | 65% | 0.651 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -56.4 | -38.7 | 178.4 | -63 | 171 | 0 | 0 | 0 | 111.2 | V198 L199 | I195-V198 PolarHBondContact O-N 3.37Å; I195-L199 WeakPolarHBondContact O-CB 3.4Å; I195-L199 PolarHBondContact O-N 3.28Å |
| 196 | F | 88.2 | Confident | 91.4 | Very high | 84 Ų | 84 | 40.4 Ų | 40.4 | 37% | 0.368 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.5 | -41 | 178.2 | -174 | -106.3 | 0 | 0 | 0 | 112.5 | S143 T194 L199 I200 | S143-F196 WeakPolarHBondContact O-CE1 3.19Å; T194-F196 PolarHBondContact O-N 3.47Å; F196-L199 WeakPolarHBondContact O-CB 3.11Å; F196-L199 PolarHBondContact O-N 3.21Å; F196-I200 HydrophobicContact CD1-CD1 4.05Å; F196-I200 HydrophobicContact CE1-CD1 3.58Å; F196-I200 HydrophobicContact CE1-CG1 4.48Å; F196-I200 HydrophobicContact CZ-CD1 3.98Å; F196-I200 PolarHBondContact O-N 2.96Å; F196-I200 VanDerWaalsContact O-N 3.1Å |
| 197 | S | 91.2 | Very high | 91.5 | Very high | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.014 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -48.2 | 172.1 | 168.7 | 0 | 0 | 0 | 0 | 111.2 | L189 D192 T194 L199 I200 Q201 | L189-S197 WeakPolarHBondContact CB-OG 3.5Å; L189-S197 PolarHBondContact O-OG 3.06Å; D192-S197 WeakPolarHBondContact O-CB 3.44Å; D192-S197 PolarHBondContact O-OG 3.44Å; T194-S197 WeakPolarHBondContact O-CB 3.33Å; T194-S197 PolarHBondContact O-N 2.97Å; T194-S197 VanDerWaalsContact O-N 3.08Å; T194-S197 VanDerWaalsContact OG1-CB 3.24Å; T194-S197 WeakPolarHBondContact OG1-CB 3.45Å; T194-S197 PolarHBondContact OG1-N 3.35Å; S197-L199 VanDerWaalsContact C-N 3.3Å; S197-L199 PolarHBondContact O-N 3.25Å; S197-I200 WeakPolarHBondContact O-CB 3.39Å; S197-I200 PolarHBondContact O-N 3.19Å; S197-I200 VanDerWaalsContact O-N 3.12Å; S197-Q201 WeakPolarHBondContact O-CG 3.46Å; S197-Q201 PolarHBondContact O-N 3.43Å; S197-Q201 PolarHBondContact OG-NE2 2.85Å |
| 198 | V | 91.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -35.9 | 179.5 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | T194 I195 I200 Q201 K202 A257 W258 C261 | T194-V198 WeakPolarHBondContact O-CG2 3.37Å; T194-V198 PolarHBondContact O-N 3.41Å; I195-V198 PolarHBondContact O-N 3.37Å; V198-I200 VanDerWaalsContact C-N 3.32Å; V198-I200 PolarHBondContact O-N 2.97Å; V198-Q201 WeakPolarHBondContact O-CB 3.08Å; V198-Q201 PolarHBondContact O-N 2.99Å; V198-K202 PolarHBondContact O-N 3.49Å; V198-A257 HydrophobicContact CB-CB 4.26Å; V198-A257 HydrophobicContact CG1-CB 3.78Å; V198-W258 HydrophobicContact CG1-CD2 4.27Å; V198-W258 HydrophobicContact CG1-CG 4.31Å; V198-W258 HydrophobicContact CG2-CD2 4.08Å; V198-W258 HydrophobicContact CG2-CE3 4.45Å; V198-W258 HydrophobicContact CG2-CH2 4.04Å; V198-W258 HydrophobicContact CG2-CZ2 3.61Å; V198-W258 HydrophobicContact CG2-CZ3 4.47Å; V198-C261 HydrophobicContact CG1-CB 4.35Å; V198-C261 VanDerWaalsContact CG1-SG 3.58Å; V198-C261 PolarHBondContact O-SG 3.16Å |
| 199 | L | 90.4 | Very high | 91.8 | Very high | 40 Ų | 40 | 33.4 Ų | 33.4 | 21% | 0.209 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -40.6 | 174 | -168.6 | 85.1 | 0 | 0 | 0 | 112 | Y147 I195 F196 S197 K202 Q203 | Y147-L199 HydrophobicContact CD1-CD2 4.01Å; Y147-L199 HydrophobicContact CD2-CD2 3.78Å; Y147-L199 HydrophobicContact CD2-CG 4.13Å; Y147-L199 HydrophobicContact CE1-CD2 3.68Å; Y147-L199 HydrophobicContact CE2-CD1 4.48Å; Y147-L199 HydrophobicContact CE2-CD2 3.47Å; Y147-L199 VanDerWaalsContact CE2-CD2 3.47Å; Y147-L199 HydrophobicContact CE2-CG 3.56Å; Y147-L199 HydrophobicContact CG-CD2 4.05Å; Y147-L199 VanDerWaalsContact CZ-CD2 3.4Å; I195-L199 WeakPolarHBondContact O-CB 3.4Å; I195-L199 PolarHBondContact O-N 3.28Å; F196-L199 WeakPolarHBondContact O-CB 3.11Å; F196-L199 PolarHBondContact O-N 3.21Å; S197-L199 VanDerWaalsContact C-N 3.3Å; S197-L199 PolarHBondContact O-N 3.25Å; L199-K202 WeakPolarHBondContact O-CB 3.23Å; L199-K202 PolarHBondContact O-N 3.39Å; L199-Q203 PolarHBondContact O-N 3.31Å; L199-Q203 VanDerWaalsContact O-N 3.1Å |
| 200 | I | 93.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.5 | -46.1 | 174.6 | -69.9 | 174.8 | 0 | 0 | 0 | 110.5 | W146 Y147 L150 L185 L189 F196 S197 V198 K202 Q203 V204 | W146-I200 HydrophobicContact CB-CD1 4.17Å; W146-I200 HydrophobicContact CE3-CD1 4.11Å; Y147-I200 HydrophobicContact CD2-CG1 4.36Å; L150-I200 HydrophobicContact CD1-CG2 3.65Å; L185-I200 HydrophobicContact CD2-CG2 4.02Å; L185-I200 HydrophobicContact CG-CG2 4.4Å; L189-I200 HydrophobicContact CD1-CB 3.87Å; L189-I200 HydrophobicContact CD1-CD1 4.34Å; L189-I200 HydrophobicContact CD1-CG2 3.36Å; F196-I200 HydrophobicContact CD1-CD1 4.05Å; F196-I200 HydrophobicContact CE1-CD1 3.58Å; F196-I200 HydrophobicContact CE1-CG1 4.48Å; F196-I200 HydrophobicContact CZ-CD1 3.98Å; F196-I200 PolarHBondContact O-N 2.96Å; F196-I200 VanDerWaalsContact O-N 3.1Å; S197-I200 WeakPolarHBondContact O-CB 3.39Å; S197-I200 PolarHBondContact O-N 3.19Å; S197-I200 VanDerWaalsContact O-N 3.12Å; V198-I200 VanDerWaalsContact C-N 3.32Å; V198-I200 PolarHBondContact O-N 2.97Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 3Å; I200-Q203 PolarHBondContact O-N 3.07Å; I200-V204 HydrophobicContact CG2-CG2 4.44Å; I200-V204 WeakPolarHBondContact O-CG2 3.49Å; I200-V204 PolarHBondContact O-N 2.99Å |
| 201 | Q | 94.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -54.4 | -47.8 | 175.2 | -64.4 | 167.3 | 38.7 | 0 | 0 | 110.6 | I186 L189 S197 V198 Q203 V204 L205 | I186-Q201 HydrophobicContact CD1-CB 4.36Å; I186-Q201 HydrophobicContact CG1-CB 4.25Å; I186-Q201 HydrophobicContact CG1-CG 4.05Å; L189-Q201 HydrophobicContact CB-CG 4.18Å; L189-Q201 PolarHBondContact O-NE2 3.21Å; S197-Q201 WeakPolarHBondContact O-CG 3.46Å; S197-Q201 PolarHBondContact O-N 3.43Å; S197-Q201 PolarHBondContact OG-NE2 2.85Å; V198-Q201 WeakPolarHBondContact O-CB 3.08Å; V198-Q201 PolarHBondContact O-N 2.99Å; Q201-Q203 VanDerWaalsContact C-N 3.29Å; Q201-Q203 PolarHBondContact O-N 3.47Å; Q201-V204 PolarHBondContact O-N 2.96Å; Q201-L205 WeakPolarHBondContact O-CG 3.48Å; Q201-L205 PolarHBondContact O-N 3.39Å |
| 202 | K | 94.4 | Very high | 92.4 | Very high | 26 Ų | 26 | 25.5 Ų | 25.5 | 11% | 0.113 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -54.1 | -46.3 | 175.3 | -174.6 | -161.6 | 75.6 | -176.4 | 0 | 111.4 | V198 L199 I200 L205 K206 K260 C261 | V198-K202 PolarHBondContact O-N 3.49Å; L199-K202 WeakPolarHBondContact O-CB 3.23Å; L199-K202 PolarHBondContact O-N 3.39Å; I200-K202 VanDerWaalsContact C-N 3.3Å; I200-K202 PolarHBondContact O-N 3Å; K202-L205 PolarHBondContact O-N 3.26Å; K202-K206 WeakPolarHBondContact O-CG 3.24Å; K202-K206 PolarHBondContact O-N 3.01Å; K202-K206 VanDerWaalsContact O-N 3.07Å; K202-K260 HydrophobicContact CD-CB 3.85Å; K202-K260 HydrophobicContact CD-CD 4.16Å; K202-K260 HydrophobicContact CG-CB 4.21Å; K202-C261 VanDerWaalsContact CA-SG 3.57Å; K202-C261 PolarHBondContact N-SG 3.06Å |
| 203 | Q | 94.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.2 | -37.9 | -177.2 | -171.3 | 56.8 | 29.1 | 0 | 0 | 112.1 | Y147 L150 L151 L199 I200 Q201 K206 I207 | Y147-Q203 HydrophobicContact CD2-CB 4.31Å; Y147-Q203 HydrophobicContact CE2-CB 4.03Å; Y147-Q203 HydrophobicContact CE2-CG 4.3Å; L150-Q203 HydrophobicContact CB-CB 4.47Å; L150-Q203 HydrophobicContact CB-CG 3.67Å; L150-Q203 PolarHBondContact O-NE2 3.13Å; L151-Q203 HydrophobicContact CD2-CG 4.35Å; L151-Q203 HydrophobicContact CG-CG 4.45Å; L199-Q203 PolarHBondContact O-N 3.31Å; L199-Q203 VanDerWaalsContact O-N 3.1Å; I200-Q203 PolarHBondContact O-N 3.07Å; Q201-Q203 VanDerWaalsContact C-N 3.29Å; Q201-Q203 PolarHBondContact O-N 3.47Å; Q203-K206 PolarHBondContact O-N 3.15Å; Q203-I207 WeakPolarHBondContact O-CG1 3.15Å; Q203-I207 PolarHBondContact O-N 3.32Å; Q203-I207 VanDerWaalsContact O-N 3.16Å |
| 204 | V | 97.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 172.9 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | L150 I182 I186 I200 Q201 K206 I207 F208 W229 | L150-V204 HydrophobicContact CD1-CG2 3.83Å; L150-V204 HydrophobicContact CD2-CG2 4.08Å; I182-V204 HydrophobicContact CB-CG1 4.03Å; I182-V204 HydrophobicContact CB-CG2 4.36Å; I182-V204 HydrophobicContact CD1-CG1 4.4Å; I182-V204 HydrophobicContact CG1-CG1 4.29Å; I186-V204 HydrophobicContact CB-CB 4.46Å; I186-V204 HydrophobicContact CB-CG1 4.05Å; I186-V204 HydrophobicContact CD1-CB 4.26Å; I186-V204 HydrophobicContact CD1-CG1 4.04Å; I186-V204 HydrophobicContact CG2-CG1 4.29Å; I200-V204 HydrophobicContact CG2-CG2 4.44Å; I200-V204 WeakPolarHBondContact O-CG2 3.49Å; I200-V204 PolarHBondContact O-N 2.99Å; Q201-V204 PolarHBondContact O-N 2.96Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.06Å; V204-I207 WeakPolarHBondContact O-CB 3.3Å; V204-I207 PolarHBondContact O-N 3.42Å; V204-I207 VanDerWaalsContact O-N 3.15Å; V204-F208 PolarHBondContact O-N 3.06Å; V204-W229 HydrophobicContact CG1-CH2 3.71Å; V204-W229 HydrophobicContact CG1-CZ3 4.25Å |
| 205 | L | 97.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 176.6 | -67.4 | 168.5 | 0 | 0 | 0 | 111.8 | I186 Q201 K202 I207 F208 H209 L233 I236 C261 W264 T265 I268 | I186-L205 HydrophobicContact CD1-CD2 4.08Å; I186-L205 HydrophobicContact CD1-CG 4.1Å; Q201-L205 WeakPolarHBondContact O-CG 3.48Å; Q201-L205 PolarHBondContact O-N 3.39Å; K202-L205 PolarHBondContact O-N 3.26Å; L205-I207 VanDerWaalsContact C-N 3.34Å; L205-I207 PolarHBondContact O-N 2.83Å; L205-F208 PolarHBondContact O-N 3.46Å; L205-H209 WeakPolarHBondContact O-CB 3.41Å; L205-H209 PolarHBondContact O-N 3.15Å; L205-L233 HydrophobicContact CD2-CD2 3.53Å; L205-I236 HydrophobicContact CD1-CD1 4.17Å; L205-I236 HydrophobicContact CD2-CD1 4.17Å; L205-C261 HydrophobicContact CD1-CB 4.34Å; L205-W264 HydrophobicContact CB-CB 3.96Å; L205-W264 HydrophobicContact CD1-CB 4.25Å; L205-T265 VanDerWaalsContact CD1-OG1 3.31Å; L205-T265 WeakPolarHBondContact CD1-OG1 3.43Å; L205-I268 HydrophobicContact CB-CD1 4.04Å; L205-I268 HydrophobicContact CD2-CD1 3.92Å; L205-I268 WeakPolarHBondContact O-CD1 3.38Å |
| 206 | K | 95.4 | Very high | 93 | Very high | 45 Ų | 45 | 15.6 Ų | 15.6 | 20% | 0.196 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 175.5 | -75.4 | -177.2 | 68.5 | -178.6 | 0 | 113 | Y154 K202 Q203 V204 A210 W264 | Y154-K206 HydrophobicContact CD2-CB 4.1Å; Y154-K206 HydrophobicContact CE2-CB 3.87Å; Y154-K206 WeakPolarHBondContact CE2-O 3.33Å; K202-K206 WeakPolarHBondContact O-CG 3.24Å; K202-K206 PolarHBondContact O-N 3.01Å; K202-K206 VanDerWaalsContact O-N 3.07Å; Q203-K206 PolarHBondContact O-N 3.15Å; V204-K206 VanDerWaalsContact C-N 3.3Å; V204-K206 PolarHBondContact O-N 3.06Å; K206-A210 WeakPolarHBondContact O-CB 3.42Å; K206-A210 PolarHBondContact O-N 3.16Å; K206-W264 HydrophobicContact CD-CZ2 3.92Å; K206-W264 HydrophobicContact CG-CD2 3.7Å; K206-W264 VanDerWaalsContact CG-CE2 3.43Å; K206-W264 HydrophobicContact CG-CE3 4.17Å; K206-W264 HydrophobicContact CG-CG 4.16Å; K206-W264 HydrophobicContact CG-CH2 4.16Å; K206-W264 HydrophobicContact CG-CZ2 3.7Å; K206-W264 HydrophobicContact CG-CZ3 4.37Å |
| 207 | I | 96.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -64.4 | -49 | 176.5 | -65.2 | 164.4 | 0 | 0 | 0 | 109.8 | L150 L153 Y154 V157 M175 I182 Q203 V204 L205 H209 A210 L211 | L150-I207 HydrophobicContact CB-CD1 4.04Å; L150-I207 HydrophobicContact CD2-CD1 3.7Å; L150-I207 HydrophobicContact CG-CD1 4.47Å; L150-I207 WeakPolarHBondContact O-CD1 3.12Å; L153-I207 HydrophobicContact CB-CD1 4.31Å; L153-I207 HydrophobicContact CD2-CD1 4.09Å; L153-I207 HydrophobicContact CD2-CG2 4.38Å; L153-I207 HydrophobicContact CG-CD1 4.18Å; L153-I207 HydrophobicContact CG-CG2 4.33Å; Y154-I207 HydrophobicContact CD2-CG1 4.04Å; Y154-I207 HydrophobicContact CG-CG1 4.37Å; V157-I207 HydrophobicContact CG2-CG2 3.84Å; M175-I207 HydrophobicContact CE-CG2 4.17Å; I182-I207 HydrophobicContact CD1-CG2 3.95Å; Q203-I207 WeakPolarHBondContact O-CG1 3.15Å; Q203-I207 PolarHBondContact O-N 3.32Å; Q203-I207 VanDerWaalsContact O-N 3.16Å; V204-I207 WeakPolarHBondContact O-CB 3.3Å; V204-I207 PolarHBondContact O-N 3.42Å; V204-I207 VanDerWaalsContact O-N 3.15Å; L205-I207 VanDerWaalsContact C-N 3.34Å; L205-I207 PolarHBondContact O-N 2.83Å; I207-H209 PolarHBondContact O-N 3.46Å; I207-A210 PolarHBondContact O-N 3.46Å; I207-L211 PolarHBondContact O-N 3.47Å |
| 208 | F | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -62.6 | -43.1 | 179.2 | -173.4 | -109.4 | 0 | 0 | 0 | 111.8 | L179 V204 L205 L211 V212 I221 W229 I268 | L179-F208 HydrophobicContact CD1-CD2 3.97Å; L179-F208 HydrophobicContact CD1-CE2 4.27Å; V204-F208 PolarHBondContact O-N 3.06Å; L205-F208 PolarHBondContact O-N 3.46Å; F208-L211 WeakPolarHBondContact O-CB 3.45Å; F208-L211 PolarHBondContact O-N 3.29Å; F208-V212 HydrophobicContact CD2-CG1 4.44Å; F208-V212 HydrophobicContact CE1-CG1 4.37Å; F208-V212 HydrophobicContact CE1-CG2 4.34Å; F208-V212 HydrophobicContact CE2-CG1 4Å; F208-V212 HydrophobicContact CZ-CG1 3.98Å; F208-V212 WeakPolarHBondContact O-CG2 3.27Å; F208-V212 PolarHBondContact O-N 2.99Å; F208-V212 VanDerWaalsContact O-N 3.1Å; F208-I221 HydrophobicContact CE2-CD1 3.86Å; F208-I221 HydrophobicContact CZ-CD1 4.35Å; F208-W229 HydrophobicContact CB-CH2 4.18Å; F208-W229 HydrophobicContact CB-CZ3 4.3Å; F208-W229 HydrophobicContact CD1-CD2 4.4Å; F208-W229 HydrophobicContact CD1-CE3 4.24Å; F208-W229 HydrophobicContact CD2-CD2 4.03Å; F208-W229 AromaticContact CD2-CE2 3.72Å; F208-W229 HydrophobicContact CD2-CE3 4.43Å; F208-W229 HydrophobicContact CD2-CH2 4.29Å; F208-W229 AromaticContact CD2-CZ2 3.88Å; F208-W229 HydrophobicContact CD2-CZ2 3.88Å; F208-W229 HydrophobicContact CE1-CD2 4.28Å; F208-W229 HydrophobicContact CE1-CE3 4.43Å; F208-W229 HydrophobicContact CE1-CG 4.33Å; F208-W229 AromaticContact CE2-CD1 3.78Å; F208-W229 AromaticContact CE2-CD2 3.9Å; F208-W229 HydrophobicContact CE2-CD2 3.9Å; F208-W229 AromaticContact CE2-CE2 3.76Å; F208-W229 AromaticContact CE2-CG 3.95Å; F208-W229 HydrophobicContact CE2-CG 3.95Å; F208-W229 HydrophobicContact CE2-CZ2 4.38Å; F208-W229 AromaticContact CE2-NE1 3.68Å; F208-W229 HydrophobicContact CG-CD2 4.28Å; F208-W229 HydrophobicContact CG-CE3 4.23Å; F208-W229 HydrophobicContact CG-CH2 4.26Å; F208-W229 HydrophobicContact CG-CZ2 4.31Å; F208-W229 HydrophobicContact CG-CZ3 4.21Å; F208-W229 HydrophobicContact CZ-CB 4.21Å; F208-W229 AromaticContact CZ-CD1 3.98Å; F208-W229 HydrophobicContact CZ-CD2 4.03Å; F208-W229 AromaticContact CZ-CG 3.82Å; F208-W229 HydrophobicContact CZ-CG 3.82Å; F208-I268 HydrophobicContact CD1-CD1 4.21Å; F208-I268 HydrophobicContact CD1-CG2 3.81Å; F208-I268 HydrophobicContact CE1-CG2 3.74Å |
| 209 | H | 95.2 | Very high | 92.8 | Very high | 6 Ų | 6 | 23.9 Ų | 23.9 | 3% | 0.028 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.6 | -51.7 | 174.8 | 179.8 | -91.5 | 0 | 0 | 0 | 112.4 | L205 I207 L211 V212 Q213 W264 R267 I268 | L205-H209 WeakPolarHBondContact O-CB 3.41Å; L205-H209 PolarHBondContact O-N 3.15Å; I207-H209 PolarHBondContact O-N 3.46Å; H209-L211 PolarHBondContact O-N 2.84Å; H209-V212 PolarHBondContact O-N 3.34Å; H209-V212 VanDerWaalsContact O-N 3.1Å; H209-Q213 VanDerWaalsContact CE1-CD 3.43Å; H209-Q213 PolarHBondContact CE1-OE1 3.3Å; H209-Q213 PolarHBondContact ND1-OE1 2.91Å; H209-Q213 VanDerWaalsContact O-CB 3.27Å; H209-Q213 WeakPolarHBondContact O-CB 3.28Å; H209-Q213 PolarHBondContact O-N 3.03Å; H209-W264 HydrophobicContact CB-CE3 4.12Å; H209-W264 HydrophobicContact CB-CZ3 4.14Å; H209-W264 AromaticContact CE1-CZ3 3.86Å; H209-W264 AromaticContact CG-CE3 4Å; H209-W264 AromaticContact CG-CZ3 3.72Å; H209-W264 AromaticContact ND1-CZ3 3.54Å; H209-R267 PolarHBondContact CE1-NE 3.36Å; H209-R267 VanDerWaalsContact CE1-NE 3.25Å; H209-R267 WeakPolarHBondContact NE2-CD 3.44Å; H209-R267 WeakPolarHBondContact NE2-CG 3.39Å; H209-R267 PolarHBondContact NE2-NE 3.33Å; H209-I268 HydrophobicContact CB-CD1 4.09Å; H209-I268 HydrophobicContact CB-CG1 3.66Å |
| 210 | A | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.1 | -30.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y154 V157 K206 I207 | Y154-A210 HydrophobicContact CE2-CB 4.07Å; V157-A210 HydrophobicContact CG1-CB 3.82Å; K206-A210 WeakPolarHBondContact O-CB 3.42Å; K206-A210 PolarHBondContact O-N 3.16Å; I207-A210 PolarHBondContact O-N 3.46Å |
| 211 | L | 93.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -67.2 | -44 | 174.2 | -178.3 | 65.1 | 0 | 0 | 0 | 111.8 | V157 R168 L171 L172 M175 L179 I207 F208 H209 S215 L220 I221 | V157-L211 HydrophobicContact CG1-CB 4.06Å; R168-L211 PolarHBondContact NH2-O 3.09Å; L171-L211 HydrophobicContact CD2-CD1 4.13Å; L172-L211 HydrophobicContact CD2-CD1 4.48Å; M175-L211 HydrophobicContact CE-CD2 3.96Å; M175-L211 HydrophobicContact CG-CD1 4.12Å; L179-L211 HydrophobicContact CD1-CD2 4.3Å; I207-L211 PolarHBondContact O-N 3.47Å; F208-L211 WeakPolarHBondContact O-CB 3.45Å; F208-L211 PolarHBondContact O-N 3.29Å; H209-L211 PolarHBondContact O-N 2.84Å; L211-S215 VanDerWaalsContact O-O 3.12Å; L211-L220 HydrophobicContact CD2-CD2 4.1Å; L211-I221 HydrophobicContact CD2-CD1 4.23Å |
| 212 | V | 92.8 | Very high | 92.4 | Very high | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -102.1 | -11.7 | -168.9 | -53.6 | 0 | 0 | 0 | 0 | 115.6 | F208 H209 Y214 S215 L216 I221 L272 Y276 | F208-V212 HydrophobicContact CD2-CG1 4.44Å; F208-V212 HydrophobicContact CE1-CG1 4.37Å; F208-V212 HydrophobicContact CE1-CG2 4.34Å; F208-V212 HydrophobicContact CE2-CG1 4Å; F208-V212 HydrophobicContact CZ-CG1 3.98Å; F208-V212 WeakPolarHBondContact O-CG2 3.27Å; F208-V212 PolarHBondContact O-N 2.99Å; F208-V212 VanDerWaalsContact O-N 3.1Å; H209-V212 PolarHBondContact O-N 3.34Å; H209-V212 VanDerWaalsContact O-N 3.1Å; V212-Y214 VanDerWaalsContact C-N 3.32Å; V212-Y214 PolarHBondContact O-N 3.11Å; V212-S215 WeakPolarHBondContact CA-O 3.26Å; V212-L216 HydrophobicContact CB-CD1 4.31Å; V212-L216 HydrophobicContact CG1-CD1 4.01Å; V212-I221 HydrophobicContact CG1-CD1 3.54Å; V212-L272 HydrophobicContact CB-CD2 4.47Å; V212-L272 HydrophobicContact CG2-CD2 4.24Å; V212-Y276 VanDerWaalsContact O-CE2 3.31Å; V212-Y276 WeakPolarHBondContact O-CE2 3.47Å; V212-Y276 PolarHBondContact O-OH 3.16Å |
| 213 | Q | 89.5 | Confident | 92.1 | Very high | 14 Ų | 14 | 29.2 Ų | 29.2 | 7% | 0.065 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -60.5 | -38.3 | -172.4 | 175 | -179.8 | -12.5 | 0 | 0 | 113.9 | E161 H209 R271 R275 | E161-Q213 PolarHBondContact OE1-OE1 3.09Å; E161-Q213 VanDerWaalsContact OE1-OE1 3.08Å; H209-Q213 VanDerWaalsContact CE1-CD 3.43Å; H209-Q213 PolarHBondContact CE1-OE1 3.3Å; H209-Q213 PolarHBondContact ND1-OE1 2.91Å; H209-Q213 VanDerWaalsContact O-CB 3.27Å; H209-Q213 WeakPolarHBondContact O-CB 3.28Å; H209-Q213 PolarHBondContact O-N 3.03Å; Q213-R271 PolarHBondContact O-NE 2.78Å; Q213-R271 PolarHBondContact O-NH2 3.22Å; Q213-R275 PolarHBondContact O-NH1 3.38Å; Q213-R275 VanDerWaalsContact O-NH1 3.11Å |
| 214 | Y | 88.1 | Confident | 91.9 | Very high | 78 Ų | 78 | 33.5 Ų | 33.5 | 31% | 0.306 | 17% | 0.168 | S | C | . | . | S | Bend | trans | -106.7 | -24.8 | -175 | -68.9 | -74 | 0 | 0 | 0 | 115.2 | E161 Y162 V212 R275 Y276 | E161-Y214 HydrophobicContact CG-CD2 3.7Å; E161-Y214 HydrophobicContact CG-CE2 3.77Å; E161-Y214 WeakPolarHBondContact O-CD2 3.36Å; Y162-Y214 HydrophobicContact CD1-CD2 4.48Å; Y162-Y214 AromaticContact CD1-CE2 3.95Å; Y162-Y214 HydrophobicContact CD1-CE2 3.95Å; Y162-Y214 HydrophobicContact CE1-CD2 4.46Å; Y162-Y214 HydrophobicContact CE1-CE1 4.49Å; Y162-Y214 AromaticContact CE1-CE2 3.53Å; Y162-Y214 HydrophobicContact CE1-CE2 3.53Å; Y162-Y214 AromaticContact CE1-CZ 3.55Å; Y162-Y214 WeakPolarHBondContact CE1-OH 3.35Å; V212-Y214 VanDerWaalsContact C-N 3.32Å; V212-Y214 PolarHBondContact O-N 3.11Å; Y214-R275 PolarHBondContact O-NH1 3.03Å; Y214-R275 PolarHBondContact O-NH2 3.47Å; Y214-Y276 PolarHBondContact O-OH 3.46Å |
| 215 | S | 87.6 | Confident | 91.7 | Very high | 25 Ų | 25 | 34.9 Ų | 34.9 | 18% | 0.175 | 18% | 0.177 | C | C | . | . | trans | -153.8 | 137 | 177.6 | 170.8 | 0 | 0 | 0 | 0 | 108.2 | L211 V212 P217 Y276 | L211-S215 VanDerWaalsContact O-O 3.12Å; V212-S215 WeakPolarHBondContact CA-O 3.26Å; S215-P217 VanDerWaalsContact O-CD 3.28Å; S215-P217 WeakPolarHBondContact O-CD 3.31Å; S215-Y276 VanDerWaalsContact CA-OH 3.26Å; S215-Y276 WeakPolarHBondContact CA-OH 3.47Å; S215-Y276 PolarHBondContact N-OH 3.1Å; S215-Y276 VanDerWaalsContact N-OH 3.09Å | ||
| 216 | L | 90.8 | Very high | 91.5 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | trans | -101 | 101.6 | 176.1 | 178 | 64.9 | 0 | 0 | 0 | 108.9 | V212 L218 I221 M226 L272 Y276 Y286 F289 | V212-L216 HydrophobicContact CB-CD1 4.31Å; V212-L216 HydrophobicContact CG1-CD1 4.01Å; L216-L218 HydrophobicContact CD2-CD2 3.92Å; L216-L218 HydrophobicContact CG-CD2 4.12Å; L216-L218 PolarHBondContact O-N 3.26Å; L216-I221 HydrophobicContact CD1-CB 4.36Å; L216-I221 HydrophobicContact CD1-CD1 3.95Å; L216-I221 HydrophobicContact CD1-CG2 4.4Å; L216-M226 HydrophobicContact CD1-CE 3.87Å; L216-M226 HydrophobicContact CD2-CE 4.46Å; L216-L272 HydrophobicContact CD1-CD2 4.34Å; L216-Y276 HydrophobicContact CB-CD1 3.89Å; L216-Y276 HydrophobicContact CB-CD2 4.01Å; L216-Y276 HydrophobicContact CB-CE1 3.79Å; L216-Y276 HydrophobicContact CB-CE2 3.93Å; L216-Y276 HydrophobicContact CB-CG 4Å; L216-Y276 HydrophobicContact CD2-CD1 4.38Å; L216-Y276 HydrophobicContact CD2-CD2 4.2Å; L216-Y276 HydrophobicContact CD2-CG 3.92Å; L216-Y286 HydrophobicContact CB-CD1 4.45Å; L216-Y286 HydrophobicContact CB-CE1 3.75Å; L216-Y286 HydrophobicContact CD2-CD1 4.35Å; L216-Y286 HydrophobicContact CD2-CE1 4.41Å; L216-Y286 HydrophobicContact CG-CE1 4.37Å; L216-Y286 WeakPolarHBondContact O-CE1 3.49Å; L216-F289 HydrophobicContact CD2-CD1 3.82Å; L216-F289 HydrophobicContact CD2-CD2 4.35Å; L216-F289 HydrophobicContact CD2-CE1 3.59Å; L216-F289 HydrophobicContact CD2-CE2 4.13Å; L216-F289 HydrophobicContact CD2-CG 4.22Å; L216-F289 HydrophobicContact CD2-CZ 3.77Å | ||
| 217 | P | 90.8 | Very high | 91.5 | Very high | 11 Ų | 11 | 34.7 Ų | 34.7 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | trans | -74.7 | 90.1 | -177.2 | 30 | -35.5 | 0 | 0 | 0 | 111 | L172 S215 Q219 L220 I221 | L172-P217 HydrophobicContact CD1-CB 4.18Å; L172-P217 HydrophobicContact CD2-CB 3.52Å; L172-P217 HydrophobicContact CD2-CG 3.75Å; S215-P217 VanDerWaalsContact O-CD 3.28Å; S215-P217 WeakPolarHBondContact O-CD 3.31Å; P217-Q219 PolarHBondContact O-N 2.93Å; P217-Q219 VanDerWaalsContact O-N 3.15Å; P217-L220 HydrophobicContact CB-CB 4.28Å; P217-L220 HydrophobicContact CG-CB 4.29Å; P217-L220 HydrophobicContact CG-CD2 4.37Å; P217-L220 PolarHBondContact O-N 3.2Å; P217-I221 HydrophobicContact CG-CD1 4.21Å; P217-I221 PolarHBondContact O-N 2.96Å | ||
| 218 | L | 89.3 | Confident | 91.3 | Very high | 63 Ų | 63 | 38.9 Ų | 38.9 | 33% | 0.33 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -26.5 | -177.4 | -65.5 | 177.2 | 0 | 0 | 0 | 113.7 | L216 L220 I221 E285 Y286 F289 | L216-L218 HydrophobicContact CD2-CD2 3.92Å; L216-L218 HydrophobicContact CG-CD2 4.12Å; L216-L218 PolarHBondContact O-N 3.26Å; L218-L220 VanDerWaalsContact C-N 3.26Å; L218-L220 PolarHBondContact O-N 2.9Å; L218-I221 CarbonylContact O-C 3.49Å; L218-E285 WeakPolarHBondContact CD1-O 3.49Å; L218-Y286 HydrophobicContact CD1-CD1 3.88Å; L218-Y286 HydrophobicContact CD1-CE1 4.09Å; L218-Y286 HydrophobicContact CD2-CD1 4.27Å; L218-Y286 HydrophobicContact CD2-CE1 4.46Å; L218-Y286 HydrophobicContact CG-CD1 4.13Å; L218-Y286 HydrophobicContact CG-CE1 4.02Å; L218-F289 HydrophobicContact CD2-CB 4.18Å; L218-F289 HydrophobicContact CD2-CD2 4.04Å; L218-F289 HydrophobicContact CD2-CG 4.13Å |
| 219 | Q | 87.6 | Confident | 91.3 | Very high | 186 Ų | 186 | 38.9 Ų | 38.9 | 87% | 0.869 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -32.1 | 174.2 | -61 | 176.7 | 1.7 | 0 | 0 | 112.6 | P217 | P217-Q219 PolarHBondContact O-N 2.93Å; P217-Q219 VanDerWaalsContact O-N 3.15Å |
| 220 | L | 89.4 | Confident | 91.3 | Very high | 23 Ų | 23 | 39 Ų | 39 | 12% | 0.12 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -39.9 | 179.2 | 178.9 | 66.1 | 0 | 0 | 0 | 111.4 | L172 M175 Q176 L179 L211 P217 L218 | L172-L220 HydrophobicContact CD2-CD2 4.49Å; M175-L220 HydrophobicContact CB-CD2 3.61Å; Q176-L220 HydrophobicContact CB-CD1 4.34Å; Q176-L220 HydrophobicContact CG-CD1 3.84Å; L179-L220 HydrophobicContact CD2-CD1 4.11Å; L179-L220 HydrophobicContact CD2-CD2 3.93Å; L179-L220 HydrophobicContact CD2-CG 3.69Å; L211-L220 HydrophobicContact CD2-CD2 4.1Å; P217-L220 HydrophobicContact CB-CB 4.28Å; P217-L220 HydrophobicContact CG-CB 4.29Å; P217-L220 HydrophobicContact CG-CD2 4.37Å; P217-L220 PolarHBondContact O-N 3.2Å; L218-L220 VanDerWaalsContact C-N 3.26Å; L218-L220 PolarHBondContact O-N 2.9Å |
| 221 | I | 91.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -110.3 | 76.5 | -175.9 | -53.4 | 172.5 | 0 | 0 | 0 | 108.5 | L179 F208 L211 V212 L216 P217 L218 V225 M226 | L179-I221 HydrophobicContact CD2-CG1 3.9Å; F208-I221 HydrophobicContact CE2-CD1 3.86Å; F208-I221 HydrophobicContact CZ-CD1 4.35Å; L211-I221 HydrophobicContact CD2-CD1 4.23Å; V212-I221 HydrophobicContact CG1-CD1 3.54Å; L216-I221 HydrophobicContact CD1-CB 4.36Å; L216-I221 HydrophobicContact CD1-CD1 3.95Å; L216-I221 HydrophobicContact CD1-CG2 4.4Å; P217-I221 HydrophobicContact CG-CD1 4.21Å; P217-I221 PolarHBondContact O-N 2.96Å; L218-I221 CarbonylContact O-C 3.49Å; I221-V225 HydrophobicContact CG2-CG1 4.31Å; I221-M226 HydrophobicContact CG2-CB 4.06Å; I221-M226 HydrophobicContact CG2-CE 3.5Å; I221-M226 HydrophobicContact CG2-SD 4.35Å |
| 222 | N | 88.2 | Confident | 91.4 | Very high | 78 Ų | 78 | 44.9 Ų | 44.9 | 42% | 0.417 | 23% | 0.227 | S | C | . | . | trans | -74.6 | 176.3 | 171.8 | 66.5 | 34.9 | 0 | 0 | 0 | 111.5 | T224 V225 M226 | N222-T224 VanDerWaalsContact C-N 3.29Å; N222-T224 PolarHBondContact O-N 2.99Å; N222-T224 WeakPolarHBondContact OD1-CB 3.4Å; N222-T224 PolarHBondContact OD1-N 3.03Å; N222-T224 VanDerWaalsContact OD1-N 3.09Å; N222-V225 PolarHBondContact O-N 3.03Å; N222-V225 WeakPolarHBondContact OD1-CG2 3.47Å; N222-V225 PolarHBondContact OD1-N 3.35Å; N222-M226 WeakPolarHBondContact O-CB 3.48Å; N222-M226 PolarHBondContact O-N 3.14Å | ||
| 223 | H | 88.8 | Confident | 91.5 | Very high | 78 Ų | 78 | 44.8 Ų | 44.8 | 36% | 0.361 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -51.6 | -44.1 | -179.4 | -65.6 | -64.1 | 0 | 0 | 0 | 113.5 | M226 T227 F292 Y297 | H223-M226 PolarHBondContact O-N 2.99Å; H223-T227 PolarHBondContact O-N 2.97Å; H223-T227 PolarHBondContact O-OG1 3Å; H223-F292 HydrophobicContact CB-CD1 4.42Å; H223-F292 HydrophobicContact CB-CE1 3.75Å; H223-F292 HydrophobicContact CB-CZ 3.96Å; H223-F292 AromaticContact CE1-CD1 3.69Å; H223-F292 AromaticContact CE1-CG 3.73Å; H223-F292 AromaticContact CG-CD1 3.98Å; H223-F292 AromaticContact CG-CE1 3.81Å; H223-F292 AromaticContact ND1-CD1 2.98Å; H223-F292 WeakPolarHBondContact ND1-CD1 3.24Å; H223-F292 AromaticContact ND1-CE1 3.24Å; H223-F292 WeakPolarHBondContact ND1-CE1 3.48Å; H223-F292 AromaticContact ND1-CG 3.43Å; H223-F292 WeakPolarHBondContact ND1-CG 3.37Å; H223-F292 AromaticContact ND1-CZ 3.96Å; H223-Y297 PolarHBondContact O-OH 2.89Å |
| 224 | T | 90.3 | Very high | 91.8 | Very high | 91 Ų | 91 | 49.2 Ų | 49.2 | 56% | 0.558 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -66.2 | -47.1 | -179.2 | -51.7 | 0 | 0 | 0 | 0 | 112.5 | N222 M226 T227 Q228 | N222-T224 VanDerWaalsContact C-N 3.29Å; N222-T224 PolarHBondContact O-N 2.99Å; N222-T224 WeakPolarHBondContact OD1-CB 3.4Å; N222-T224 PolarHBondContact OD1-N 3.03Å; N222-T224 VanDerWaalsContact OD1-N 3.09Å; T224-M226 VanDerWaalsContact C-N 3.28Å; T224-M226 PolarHBondContact O-N 2.95Å; T224-T227 PolarHBondContact O-N 3.5Å; T224-Q228 PolarHBondContact O-N 3.34Å |
| 225 | V | 92.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 48.3 Ų | 48.3 | 18% | 0.182 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.2 | -42.2 | 177.6 | 175 | 0 | 0 | 0 | 0 | 109.4 | L179 Q183 I221 N222 Q228 W229 | L179-V225 HydrophobicContact CD2-CG1 4.02Å; Q183-V225 PolarHBondContact NE2-O 2.85Å; I221-V225 HydrophobicContact CG2-CG1 4.31Å; N222-V225 PolarHBondContact O-N 3.03Å; N222-V225 WeakPolarHBondContact OD1-CG2 3.47Å; N222-V225 PolarHBondContact OD1-N 3.35Å; V225-Q228 PolarHBondContact O-N 3.27Å; V225-W229 VanDerWaalsContact O-CD1 3.23Å; V225-W229 PolarHBondContact O-N 3.32Å; V225-W229 VanDerWaalsContact O-N 3.17Å |
| 226 | M | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.9 | -44.3 | 175.5 | -171.9 | 59 | 79.1 | 0 | 0 | 111.9 | L216 I221 N222 H223 T224 Q228 W229 M230 L272 F289 Y297 | L216-M226 HydrophobicContact CD1-CE 3.87Å; L216-M226 HydrophobicContact CD2-CE 4.46Å; I221-M226 HydrophobicContact CG2-CB 4.06Å; I221-M226 HydrophobicContact CG2-CE 3.5Å; I221-M226 HydrophobicContact CG2-SD 4.35Å; N222-M226 WeakPolarHBondContact O-CB 3.48Å; N222-M226 PolarHBondContact O-N 3.14Å; H223-M226 PolarHBondContact O-N 2.99Å; T224-M226 VanDerWaalsContact C-N 3.28Å; T224-M226 PolarHBondContact O-N 2.95Å; M226-Q228 VanDerWaalsContact C-N 3.29Å; M226-Q228 PolarHBondContact O-N 3.29Å; M226-W229 PolarHBondContact O-N 2.98Å; M226-W229 VanDerWaalsContact O-N 3.1Å; M226-M230 HydrophobicContact CG-CG 3.97Å; M226-M230 VanDerWaalsContact O-CG 3.25Å; M226-M230 WeakPolarHBondContact O-CG 3.25Å; M226-M230 PolarHBondContact O-N 2.86Å; M226-M230 HydrophobicContact SD-CG 4.01Å; M226-M230 HydrophobicContact SD-SD 4.09Å; M226-L272 HydrophobicContact CE-CD1 4.23Å; M226-L272 HydrophobicContact CE-CD2 4.09Å; M226-L272 HydrophobicContact SD-CD1 4.13Å; M226-F289 HydrophobicContact CB-CE2 4.33Å; M226-F289 HydrophobicContact CE-CE2 3.92Å; M226-F289 HydrophobicContact CE-CZ 3.66Å; M226-F289 HydrophobicContact CG-CE2 3.88Å; M226-F289 HydrophobicContact CG-CZ 4.06Å; M226-F289 HydrophobicContact SD-CZ 4.45Å; M226-Y297 HydrophobicContact CG-CE2 4.03Å |
| 227 | T | 94.3 | Very high | 92.5 | Very high | 41 Ų | 41 | 47.4 Ų | 47.4 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -53 | -48.9 | 178.5 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | H223 T224 W229 M230 E231 Y297 | H223-T227 PolarHBondContact O-N 2.97Å; H223-T227 PolarHBondContact O-OG1 3Å; T224-T227 PolarHBondContact O-N 3.5Å; T227-W229 PolarHBondContact O-N 2.65Å; T227-M230 PolarHBondContact O-N 2.97Å; T227-E231 WeakPolarHBondContact O-CG 3.33Å; T227-E231 PolarHBondContact O-N 2.74Å; T227-Y297 WeakPolarHBondContact CA-OH 3.47Å; T227-Y297 WeakPolarHBondContact CB-OH 3.24Å; T227-Y297 HydrophobicContact CG2-CE1 4.3Å; T227-Y297 PolarHBondContact N-OH 3.34Å; T227-Y297 PolarHBondContact OG1-OH 3.44Å |
| 228 | Q | 93.9 | Very high | 92.5 | Very high | 87 Ų | 87 | 50.2 Ų | 50.2 | 41% | 0.407 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 179.2 | -69.2 | 176.2 | 14.5 | 0 | 0 | 112.1 | Q183 T224 V225 M226 E231 I232 | Q183-Q228 VanDerWaalsContact CD-OE1 3.29Å; T224-Q228 PolarHBondContact O-N 3.34Å; V225-Q228 PolarHBondContact O-N 3.27Å; M226-Q228 VanDerWaalsContact C-N 3.29Å; M226-Q228 PolarHBondContact O-N 3.29Å; Q228-E231 PolarHBondContact O-N 3.2Å; Q228-I232 WeakPolarHBondContact O-CD1 3.48Å; Q228-I232 VanDerWaalsContact O-CG1 3.26Å; Q228-I232 WeakPolarHBondContact O-CG1 3.42Å; Q228-I232 PolarHBondContact O-N 3.06Å |
| 229 | W | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -43.2 | 173.5 | -82.8 | 109.4 | 0 | 0 | 0 | 111.8 | L179 I182 Q183 I186 V204 F208 V225 M226 T227 E231 I232 L233 | L179-W229 HydrophobicContact CD1-CZ2 3.79Å; I182-W229 HydrophobicContact CD1-CZ2 4.48Å; I182-W229 HydrophobicContact CG1-CH2 4.37Å; I182-W229 HydrophobicContact CG1-CZ2 4.19Å; Q183-W229 HydrophobicContact CB-CZ2 3.82Å; Q183-W229 HydrophobicContact CG-CZ2 4.26Å; Q183-W229 VanDerWaalsContact NE2-CD1 3.26Å; I186-W229 HydrophobicContact CG2-CH2 4.3Å; I186-W229 HydrophobicContact CG2-CZ3 4.19Å; V204-W229 HydrophobicContact CG1-CH2 3.71Å; V204-W229 HydrophobicContact CG1-CZ3 4.25Å; F208-W229 HydrophobicContact CB-CH2 4.18Å; F208-W229 HydrophobicContact CB-CZ3 4.3Å; F208-W229 HydrophobicContact CD1-CD2 4.4Å; F208-W229 HydrophobicContact CD1-CE3 4.24Å; F208-W229 HydrophobicContact CD2-CD2 4.03Å; F208-W229 AromaticContact CD2-CE2 3.72Å; F208-W229 HydrophobicContact CD2-CE3 4.43Å; F208-W229 HydrophobicContact CD2-CH2 4.29Å; F208-W229 AromaticContact CD2-CZ2 3.88Å; F208-W229 HydrophobicContact CD2-CZ2 3.88Å; F208-W229 HydrophobicContact CE1-CD2 4.28Å; F208-W229 HydrophobicContact CE1-CE3 4.43Å; F208-W229 HydrophobicContact CE1-CG 4.33Å; F208-W229 AromaticContact CE2-CD1 3.78Å; F208-W229 AromaticContact CE2-CD2 3.9Å; F208-W229 HydrophobicContact CE2-CD2 3.9Å; F208-W229 AromaticContact CE2-CE2 3.76Å; F208-W229 AromaticContact CE2-CG 3.95Å; F208-W229 HydrophobicContact CE2-CG 3.95Å; F208-W229 HydrophobicContact CE2-CZ2 4.38Å; F208-W229 AromaticContact CE2-NE1 3.68Å; F208-W229 HydrophobicContact CG-CD2 4.28Å; F208-W229 HydrophobicContact CG-CE3 4.23Å; F208-W229 HydrophobicContact CG-CH2 4.26Å; F208-W229 HydrophobicContact CG-CZ2 4.31Å; F208-W229 HydrophobicContact CG-CZ3 4.21Å; F208-W229 HydrophobicContact CZ-CB 4.21Å; F208-W229 AromaticContact CZ-CD1 3.98Å; F208-W229 HydrophobicContact CZ-CD2 4.03Å; F208-W229 AromaticContact CZ-CG 3.82Å; F208-W229 HydrophobicContact CZ-CG 3.82Å; V225-W229 VanDerWaalsContact O-CD1 3.23Å; V225-W229 PolarHBondContact O-N 3.32Å; V225-W229 VanDerWaalsContact O-N 3.17Å; M226-W229 PolarHBondContact O-N 2.98Å; M226-W229 VanDerWaalsContact O-N 3.1Å; T227-W229 PolarHBondContact O-N 2.65Å; W229-E231 VanDerWaalsContact C-N 3.32Å; W229-E231 PolarHBondContact O-N 2.88Å; W229-I232 HydrophobicContact CE3-CD1 4.35Å; W229-I232 PolarHBondContact O-N 2.97Å; W229-L233 WeakPolarHBondContact O-CB 3.42Å; W229-L233 WeakPolarHBondContact O-CG 3.1Å; W229-L233 PolarHBondContact O-N 3.39Å |
| 230 | M | 94.9 | Very high | 92.5 | Very high | 8 Ų | 8 | 45.5 Ų | 45.5 | 4% | 0.039 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.8 | -36.1 | 179.3 | -64.3 | -57.8 | -79.9 | 0 | 0 | 112.2 | M226 T227 L233 R234 L272 F293 Y297 I301 | M226-M230 HydrophobicContact CG-CG 3.97Å; M226-M230 VanDerWaalsContact O-CG 3.25Å; M226-M230 WeakPolarHBondContact O-CG 3.25Å; M226-M230 PolarHBondContact O-N 2.86Å; M226-M230 HydrophobicContact SD-CG 4.01Å; M226-M230 HydrophobicContact SD-SD 4.09Å; T227-M230 PolarHBondContact O-N 2.97Å; M230-L233 HydrophobicContact SD-CD1 4.14Å; M230-R234 WeakPolarHBondContact O-CB 3.24Å; M230-R234 PolarHBondContact O-N 3.48Å; M230-L272 HydrophobicContact SD-CD1 4.12Å; M230-F293 HydrophobicContact CE-CD2 4.14Å; M230-F293 HydrophobicContact CE-CE2 3.33Å; M230-F293 HydrophobicContact CE-CZ 3.82Å; M230-F293 HydrophobicContact SD-CE2 4.15Å; M230-Y297 HydrophobicContact CB-CD1 3.96Å; M230-Y297 HydrophobicContact CB-CE1 4.16Å; M230-Y297 HydrophobicContact CB-CG 4.18Å; M230-Y297 HydrophobicContact CE-CD2 4.02Å; M230-Y297 HydrophobicContact CE-CG 3.88Å; M230-Y297 HydrophobicContact CG-CD1 4.14Å; M230-Y297 HydrophobicContact CG-CD2 3.84Å; M230-Y297 HydrophobicContact CG-CE1 4.29Å; M230-Y297 HydrophobicContact CG-CE2 4Å; M230-Y297 HydrophobicContact CG-CG 3.92Å; M230-I301 HydrophobicContact CE-CD1 3.13Å; M230-I301 HydrophobicContact CE-CG1 4.35Å |
| 231 | E | 94.1 | Very high | 92.3 | Very high | 118 Ų | 118 | 46 Ų | 46 | 55% | 0.551 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -64.7 | -45.1 | 172.3 | -72.5 | 174.1 | 178.4 | 0 | 0 | 112.4 | T227 Q228 W229 R234 S235 | T227-E231 WeakPolarHBondContact O-CG 3.33Å; T227-E231 PolarHBondContact O-N 2.74Å; Q228-E231 PolarHBondContact O-N 3.2Å; W229-E231 VanDerWaalsContact C-N 3.32Å; W229-E231 PolarHBondContact O-N 2.88Å; E231-R234 PolarHBondContact O-N 3.46Å; E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 3.05Å; E231-S235 PolarHBondContact O-OG 3.49Å |
| 232 | I | 95.3 | Very high | 92 | Very high | 7 Ų | 7 | 47.6 Ų | 47.6 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.5 | -50.8 | 175.2 | -68.9 | 158.1 | 0 | 0 | 0 | 110 | Q183 I186 S187 L190 Q228 W229 S235 I236 | Q183-I232 HydrophobicContact CG-CD1 3.85Å; I186-I232 HydrophobicContact CD1-CG2 3.89Å; I186-I232 HydrophobicContact CG1-CG2 4.13Å; I186-I232 HydrophobicContact CG2-CD1 3.86Å; I186-I232 HydrophobicContact CG2-CG2 4Å; S187-I232 WeakPolarHBondContact OG-CD1 3.15Å; L190-I232 HydrophobicContact CD1-CG1 4.43Å; L190-I232 HydrophobicContact CD1-CG2 4.33Å; Q228-I232 WeakPolarHBondContact O-CD1 3.48Å; Q228-I232 VanDerWaalsContact O-CG1 3.26Å; Q228-I232 WeakPolarHBondContact O-CG1 3.42Å; Q228-I232 PolarHBondContact O-N 3.06Å; W229-I232 HydrophobicContact CE3-CD1 4.35Å; W229-I232 PolarHBondContact O-N 2.97Å; I232-S235 PolarHBondContact O-N 3.44Å; I232-I236 HydrophobicContact CG2-CD1 3.94Å; I232-I236 WeakPolarHBondContact O-CG1 3.27Å; I232-I236 PolarHBondContact O-N 3.09Å |
| 233 | L | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.3 | -47.5 | -178.4 | -68.1 | 172 | 0 | 0 | 0 | 110.4 | L205 W229 M230 S235 I236 V237 T265 I268 I269 | L205-L233 HydrophobicContact CD2-CD2 3.53Å; W229-L233 WeakPolarHBondContact O-CB 3.42Å; W229-L233 WeakPolarHBondContact O-CG 3.1Å; W229-L233 PolarHBondContact O-N 3.39Å; M230-L233 HydrophobicContact SD-CD1 4.14Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 2.88Å; L233-I236 PolarHBondContact O-N 3.03Å; L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 3.28Å; L233-T265 HydrophobicContact CB-CG2 3.88Å; L233-T265 HydrophobicContact CD2-CG2 3.75Å; L233-T265 HydrophobicContact CG-CG2 4.42Å; L233-T265 VanDerWaalsContact O-CG2 3.24Å; L233-T265 WeakPolarHBondContact O-CG2 3.17Å; L233-I268 HydrophobicContact CD1-CG2 3.82Å; L233-I268 HydrophobicContact CD2-CD1 4.17Å; L233-I268 HydrophobicContact CD2-CG2 4.42Å; L233-I269 HydrophobicContact CB-CD1 3.92Å; L233-I269 HydrophobicContact CB-CG1 4.04Å; L233-I269 HydrophobicContact CD1-CG1 3.98Å |
| 234 | R | 94.9 | Very high | 91.1 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 40% | 0.404 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -56.8 | -44.6 | 175.1 | -174.6 | -177.2 | 178.9 | 178.1 | 2.1 | 111.9 | M230 E231 I236 V237 D238 G300 V304 | M230-R234 WeakPolarHBondContact O-CB 3.24Å; M230-R234 PolarHBondContact O-N 3.48Å; E231-R234 PolarHBondContact O-N 3.46Å; R234-I236 VanDerWaalsContact C-N 3.33Å; R234-I236 PolarHBondContact O-N 3.37Å; R234-V237 PolarHBondContact O-N 2.9Å; R234-D238 WeakPolarHBondContact O-CB 3.44Å; R234-D238 PolarHBondContact O-N 3.28Å; R234-G300 PolarHBondContact NE-O 3.21Å; R234-V304 HydrophobicContact CG-CG2 3.85Å |
| 235 | S | 94.1 | Very high | 90.4 | Very high | 60 Ų | 60 | 46 Ų | 46 | 42% | 0.42 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 179.9 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | E231 I232 L233 D238 R239 | E231-S235 WeakPolarHBondContact O-CB 3.35Å; E231-S235 PolarHBondContact O-N 3.05Å; E231-S235 PolarHBondContact O-OG 3.49Å; I232-S235 PolarHBondContact O-N 3.44Å; L233-S235 VanDerWaalsContact C-N 3.32Å; L233-S235 PolarHBondContact O-N 2.88Å; S235-D238 PolarHBondContact O-N 2.71Å; S235-R239 VanDerWaalsContact O-CB 3.28Å; S235-R239 WeakPolarHBondContact O-CB 3.35Å; S235-R239 PolarHBondContact O-N 3.33Å |
| 236 | I | 94.1 | Very high | 89.7 | Confident | 1 Ų | 1 | 48.6 Ų | 48.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.8 | -38.6 | 177.4 | -65.6 | 167.2 | 0 | 0 | 0 | 111.4 | I186 L190 L205 I232 L233 R234 C261 K262 T265 | I186-I236 HydrophobicContact CD1-CD1 4.01Å; L190-I236 HydrophobicContact CD2-CD1 4.02Å; L190-I236 HydrophobicContact CD2-CG1 3.52Å; L205-I236 HydrophobicContact CD1-CD1 4.17Å; L205-I236 HydrophobicContact CD2-CD1 4.17Å; I232-I236 HydrophobicContact CG2-CD1 3.94Å; I232-I236 WeakPolarHBondContact O-CG1 3.27Å; I232-I236 PolarHBondContact O-N 3.09Å; L233-I236 PolarHBondContact O-N 3.03Å; R234-I236 VanDerWaalsContact C-N 3.33Å; R234-I236 PolarHBondContact O-N 3.37Å; I236-C261 HydrophobicContact CG2-CB 4.28Å; I236-K262 PolarHBondContact O-NZ 3.38Å; I236-T265 HydrophobicContact CB-CG2 4.31Å; I236-T265 HydrophobicContact CG2-CG2 4.42Å; I236-T265 WeakPolarHBondContact CG2-OG1 3.31Å |
| 237 | V | 92.4 | Very high | 89.1 | Confident | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.6 | -38.7 | 176.7 | -170 | 0 | 0 | 0 | 0 | 111.2 | L233 R234 K262 T265 L266 I269 V304 L305 V308 | L233-V237 WeakPolarHBondContact O-CG2 3.45Å; L233-V237 PolarHBondContact O-N 3.28Å; R234-V237 PolarHBondContact O-N 2.9Å; V237-K262 PolarHBondContact O-NZ 3.08Å; V237-T265 HydrophobicContact CG2-CG2 3.38Å; V237-L266 HydrophobicContact CG1-CD2 4.07Å; V237-L266 HydrophobicContact CG2-CD2 3.86Å; V237-L266 HydrophobicContact CG2-CG 4.41Å; V237-I269 HydrophobicContact CG2-CD1 4.19Å; V237-V304 HydrophobicContact CB-CG1 3.75Å; V237-V304 HydrophobicContact CG1-CG1 3.58Å; V237-L305 HydrophobicContact CG1-CD2 3.96Å; V237-V308 HydrophobicContact CG1-CG2 4.1Å |
| 238 | D | 92 | Very high | 88.6 | Confident | 70 Ų | 70 | 57.1 Ų | 57.1 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -77.2 | -24.1 | -177.7 | -167 | 37.5 | 0 | 0 | 0 | 113.7 | R234 S235 D240 V304 K307 | R234-D238 WeakPolarHBondContact O-CB 3.44Å; R234-D238 PolarHBondContact O-N 3.28Å; S235-D238 PolarHBondContact O-N 2.71Å; D238-D240 PolarHBondContact O-N 2.88Å; D238-V304 HydrophobicContact CB-CG1 3.7Å; D238-V304 HydrophobicContact CB-CG2 4.19Å; D238-K307 PolarHBondContact O-NZ 2.9Å; D238-K307 WeakPolarHBondContact OD1-CD 3.47Å; D238-K307 IonicContact OD1-NZ 2.66Å; D238-K307 PolarHBondContact OD1-NZ 3.38Å |
| 239 | R | 90.4 | Very high | 88.1 | Confident | 49 Ų | 49 | 58.7 Ų | 58.7 | 19% | 0.185 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -63.2 | 124.9 | 178.3 | -176.8 | 173.3 | 69.6 | -178 | 6.6 | 111.5 | L190 S235 W258 K262 | L190-R239 PolarHBondContact O-NH1 3.46Å; S235-R239 VanDerWaalsContact O-CB 3.28Å; S235-R239 WeakPolarHBondContact O-CB 3.35Å; S235-R239 PolarHBondContact O-N 3.33Å; R239-W258 HydrophobicContact CG-CZ3 4.25Å; R239-W258 VanDerWaalsContact CZ-CZ3 3.42Å; R239-K262 VanDerWaalsContact O-CE 3.28Å; R239-K262 WeakPolarHBondContact O-CE 3.43Å; R239-K262 PolarHBondContact O-NZ 2.92Å |
| 240 | D | 85.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 64.5 Ų | 64.5 | 54% | 0.54 | 34% | 0.336 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 150 | 176.3 | -63.5 | -43.7 | 0 | 0 | 0 | 111.7 | D238 Q311 | D238-D240 PolarHBondContact O-N 2.88Å; D240-Q311 PolarHBondContact OD1-NE2 2.93Å |
| 241 | V | 85.8 | Confident | 86.4 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 20% | 0.2 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -84.9 | 133.1 | 175.8 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | T245 W258 W259 K262 | V241-T245 HydrophobicContact CG1-CG2 3.84Å; V241-T245 VanDerWaalsContact CG1-OG1 3.27Å; V241-T245 WeakPolarHBondContact CG1-OG1 3.37Å; V241-W258 HydrophobicContact CG1-CB 3.89Å; V241-W258 HydrophobicContact CG1-CG 4.29Å; V241-W259 HydrophobicContact CB-CZ2 4.28Å; V241-W259 HydrophobicContact CG1-CZ2 4.36Å; V241-W259 HydrophobicContact CG2-CD2 4.44Å; V241-W259 HydrophobicContact CG2-CE3 4.5Å; V241-W259 HydrophobicContact CG2-CH2 3.98Å; V241-W259 HydrophobicContact CG2-CZ2 3.91Å; V241-W259 HydrophobicContact CG2-CZ3 4.29Å; V241-K262 HydrophobicContact CG2-CD 4.09Å; V241-K262 VanDerWaalsContact CG2-CE 3.42Å |
| 242 | P | 84.9 | Confident | 85.9 | Confident | 34 Ų | 34 | 69.9 Ų | 69.9 | 22% | 0.221 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -57.9 | 141.2 | -179.3 | -22.7 | 32.2 | 0 | 0 | 0 | 112.6 | E244 T245 W258 | P242-E244 WeakPolarHBondContact CB-OE2 3.05Å; P242-E244 PolarHBondContact O-N 3.27Å; P242-T245 WeakPolarHBondContact O-CB 3.43Å; P242-T245 WeakPolarHBondContact O-CG2 3.28Å; P242-T245 PolarHBondContact O-N 3.1Å; P242-T245 VanDerWaalsContact O-N 3.09Å; P242-T245 PolarHBondContact O-OG1 3.23Å; P242-W258 HydrophobicContact CG-CD2 4.11Å; P242-W258 HydrophobicContact CG-CE3 4.41Å; P242-W258 HydrophobicContact CG-CH2 3.88Å; P242-W258 HydrophobicContact CG-CZ2 3.51Å; P242-W258 HydrophobicContact CG-CZ3 4.26Å |
| 243 | A | 79.9 | Confident | 85.4 | Confident | 73 Ų | 73 | 70.9 Ų | 70.9 | 60% | 0.603 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -64.8 | -25.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T245 L246 | A243-T245 PolarHBondContact O-N 2.76Å; A243-T245 VanDerWaalsContact O-N 3.13Å; A243-L246 WeakPolarHBondContact O-CB 3.43Å; A243-L246 PolarHBondContact O-N 3.15Å |
| 244 | E | 77.3 | Confident | 84.9 | Confident | 125 Ų | 125 | 73.3 Ų | 73.3 | 58% | 0.584 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -60 | -22.5 | 175.7 | -55.6 | 84.9 | 170.8 | 0 | 0 | 111.9 | P242 L246 E247 | P242-E244 WeakPolarHBondContact CB-OE2 3.05Å; P242-E244 PolarHBondContact O-N 3.27Å; E244-L246 PolarHBondContact O-N 3.1Å; E244-E247 PolarHBondContact O-N 3.39Å |
| 245 | T | 76.4 | Confident | 84.4 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 9% | 0.092 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -70.3 | -14.7 | 175.7 | 65 | 0 | 0 | 0 | 0 | 113.8 | V241 P242 A243 L256 | V241-T245 HydrophobicContact CG1-CG2 3.84Å; V241-T245 VanDerWaalsContact CG1-OG1 3.27Å; V241-T245 WeakPolarHBondContact CG1-OG1 3.37Å; P242-T245 WeakPolarHBondContact O-CB 3.43Å; P242-T245 WeakPolarHBondContact O-CG2 3.28Å; P242-T245 PolarHBondContact O-N 3.1Å; P242-T245 VanDerWaalsContact O-N 3.09Å; P242-T245 PolarHBondContact O-OG1 3.23Å; A243-T245 PolarHBondContact O-N 2.76Å; A243-T245 VanDerWaalsContact O-N 3.13Å; T245-L256 HydrophobicContact CG2-CD1 3.96Å |
| 246 | L | 77.6 | Confident | 84 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 44% | 0.44 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -84.2 | -14.8 | 176.7 | -59.6 | 172.9 | 0 | 0 | 0 | 112.7 | A243 E244 V248 R253 Y317 | A243-L246 WeakPolarHBondContact O-CB 3.43Å; A243-L246 PolarHBondContact O-N 3.15Å; E244-L246 PolarHBondContact O-N 3.1Å; L246-V248 PolarHBondContact O-N 2.94Å; L246-R253 PolarHBondContact O-NH2 2.92Å; L246-Y317 HydrophobicContact CD2-CD1 4.33Å; L246-Y317 HydrophobicContact CD2-CG 4.35Å |
| 247 | E | 80.6 | Confident | 83.7 | Confident | 170 Ų | 170 | 73.5 Ų | 73.5 | 79% | 0.794 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -73.5 | -15.9 | 177 | -59.9 | -175.8 | 171.7 | 0 | 0 | 112.8 | E244 | E244-E247 PolarHBondContact O-N 3.39Š|
| 248 | V | 83.6 | Confident | 83.6 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 30% | 0.303 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -81.5 | 145.8 | 175.6 | -176.9 | 0 | 0 | 0 | 0 | 109.6 | L246 D252 R253 L256 | L246-V248 PolarHBondContact O-N 2.94Å; V248-D252 HydrophobicContact CG1-CB 3.51Å; V248-R253 HydrophobicContact CB-CG 4.43Å; V248-R253 PolarHBondContact O-NE 3.32Å; V248-R253 PolarHBondContact O-NH2 3.46Å; V248-L256 HydrophobicContact CG2-CD2 4.46Å |
| 249 | D | 83.3 | Confident | 83.5 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 64% | 0.642 | 38% | 0.377 | S | S | * | . | trans | -51.1 | 141.8 | 175.6 | -70.7 | -31.7 | 0 | 0 | 0 | 111.3 | D251 D252 R253 | D249-D251 PolarHBondContact O-N 3.06Å; D249-D251 VanDerWaalsContact O-N 3.13Å; D249-D252 PolarHBondContact O-N 2.92Å; D249-R253 WeakPolarHBondContact O-CG 3.48Å; D249-R253 PolarHBondContact O-N 3.09Å | ||
| 250 | E | 77.3 | Confident | 83.5 | Confident | 122 Ų | 122 | 71 Ų | 71 | 57% | 0.57 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -36.7 | -169.9 | -48.8 | -144.5 | 123.6 | 0 | 0 | 112.4 | D252 R253 P254 | E250-D252 VanDerWaalsContact C-N 3.34Å; E250-D252 PolarHBondContact O-N 2.69Å; E250-R253 WeakPolarHBondContact O-CB 3.37Å; E250-R253 PolarHBondContact O-N 3.37Å; E250-R253 IonicContact OE1-CZ 2.76Å; E250-R253 IonicContact OE1-NH1 2.9Å; E250-R253 PolarHBondContact OE1-NH1 3.31Å; E250-R253 IonicContact OE1-NH2 3.25Å; E250-P254 WeakPolarHBondContact O-CD 3.37Å |
| 251 | D | 78.9 | Confident | 83.9 | Confident | 149 Ų | 149 | 66.2 Ų | 66.2 | 80% | 0.797 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -29.3 | -179.6 | -59.7 | -30.2 | 0 | 0 | 0 | 113.2 | D249 P254 | D249-D251 PolarHBondContact O-N 3.06Å; D249-D251 VanDerWaalsContact O-N 3.13Å; D251-P254 WeakPolarHBondContact O-CD 3.44Å |
| 252 | D | 84.2 | Confident | 84.2 | Confident | 91 Ų | 91 | 65.3 Ų | 65.3 | 49% | 0.487 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -18.5 | -179.6 | -80.5 | -30.3 | 0 | 0 | 0 | 112.6 | V248 D249 E250 P254 E255 | V248-D252 HydrophobicContact CG1-CB 3.51Å; D249-D252 PolarHBondContact O-N 2.92Å; E250-D252 VanDerWaalsContact C-N 3.34Å; E250-D252 PolarHBondContact O-N 2.69Å; D252-P254 VanDerWaalsContact C-CD 3.44Å; D252-E255 WeakPolarHBondContact O-CB 3.37Å; D252-E255 PolarHBondContact O-N 3.26Å |
| 253 | R | 84.4 | Confident | 84.6 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 11% | 0.106 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -55.3 | -41.8 | -180 | -67.7 | 174.6 | -168.8 | 160.3 | 2.6 | 113.5 | L246 V248 D249 E250 E255 L256 Y317 | L246-R253 PolarHBondContact O-NH2 2.92Å; V248-R253 HydrophobicContact CB-CG 4.43Å; V248-R253 PolarHBondContact O-NE 3.32Å; V248-R253 PolarHBondContact O-NH2 3.46Å; D249-R253 WeakPolarHBondContact O-CG 3.48Å; D249-R253 PolarHBondContact O-N 3.09Å; E250-R253 WeakPolarHBondContact O-CB 3.37Å; E250-R253 PolarHBondContact O-N 3.37Å; E250-R253 IonicContact OE1-CZ 2.76Å; E250-R253 IonicContact OE1-NH1 2.9Å; E250-R253 PolarHBondContact OE1-NH1 3.31Å; E250-R253 IonicContact OE1-NH2 3.25Å; R253-E255 PolarHBondContact O-N 3.24Å; R253-L256 HydrophobicContact CB-CD1 4.49Å; R253-L256 WeakPolarHBondContact O-CB 3.4Å; R253-L256 WeakPolarHBondContact O-CG 3.39Å; R253-L256 PolarHBondContact O-N 3.38Å; R253-Y317 HydrophobicContact CB-CE1 3.73Å; R253-Y317 HydrophobicContact CG-CE1 4.34Å |
| 254 | P | 84.8 | Confident | 85.2 | Confident | 51 Ų | 51 | 64.6 Ų | 64.6 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -58.3 | -26.2 | 176 | -24.2 | 35.2 | 0 | 0 | 0 | 114 | E250 D251 D252 L256 T319 | E250-P254 WeakPolarHBondContact O-CD 3.37Å; D251-P254 WeakPolarHBondContact O-CD 3.44Å; D252-P254 VanDerWaalsContact C-CD 3.44Å; P254-L256 VanDerWaalsContact C-N 3.31Å; P254-L256 PolarHBondContact O-N 2.86Å; P254-T319 HydrophobicContact CB-CG2 4.31Å; P254-T319 HydrophobicContact CG-CG2 4.31Å |
| 255 | E | 83.6 | Confident | 86.1 | Confident | 115 Ų | 115 | 58.7 Ų | 58.7 | 54% | 0.537 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -81 | -11.4 | -177.4 | -69.8 | -60.8 | 97.8 | 0 | 0 | 113.7 | D252 R253 K260 | D252-E255 WeakPolarHBondContact O-CB 3.37Å; D252-E255 PolarHBondContact O-N 3.26Å; R253-E255 PolarHBondContact O-N 3.24Å; E255-K260 VanDerWaalsContact CD-NZ 3.33Å; E255-K260 WeakPolarHBondContact O-CD 3.41Å; E255-K260 VanDerWaalsContact O-CE 3.24Å; E255-K260 WeakPolarHBondContact O-CE 3.19Å; E255-K260 PolarHBondContact O-NZ 2.83Å; E255-K260 WeakPolarHBondContact OE1-CE 3.3Å; E255-K260 IonicContact OE1-NZ 2.79Å; E255-K260 WeakPolarHBondContact OE2-CE 3.12Å; E255-K260 IonicContact OE2-NZ 2.77Å; E255-K260 PolarHBondContact OE2-NZ 3Å |
| 256 | L | 87.4 | Confident | 87 | Confident | 42 Ų | 42 | 58 Ų | 58 | 22% | 0.22 | 29% | 0.29 | C | S | . | . | S | Bend | trans | -62.8 | 142.6 | 177.4 | -61.8 | 175.4 | 0 | 0 | 0 | 112.2 | T245 V248 R253 P254 W258 W259 K260 | T245-L256 HydrophobicContact CG2-CD1 3.96Å; V248-L256 HydrophobicContact CG2-CD2 4.46Å; R253-L256 HydrophobicContact CB-CD1 4.49Å; R253-L256 WeakPolarHBondContact O-CB 3.4Å; R253-L256 WeakPolarHBondContact O-CG 3.39Å; R253-L256 PolarHBondContact O-N 3.38Å; P254-L256 VanDerWaalsContact C-N 3.31Å; P254-L256 PolarHBondContact O-N 2.86Å; L256-W258 PolarHBondContact O-N 3.15Å; L256-W258 VanDerWaalsContact O-N 3.17Å; L256-W259 PolarHBondContact O-N 3.4Å; L256-K260 PolarHBondContact O-N 3.05Å |
| 257 | A | 87.4 | Confident | 87.7 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 12% | 0.124 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.8 | -34.3 | -178 | 0 | 0 | 0 | 0 | 0 | 112.8 | V198 K260 C261 | V198-A257 HydrophobicContact CB-CB 4.26Å; V198-A257 HydrophobicContact CG1-CB 3.78Å; A257-K260 PolarHBondContact O-N 2.72Å; A257-C261 WeakPolarHBondContact O-CB 3.15Å; A257-C261 PolarHBondContact O-N 3.23Å |
| 258 | W | 90.1 | Very high | 88.4 | Confident | 21 Ų | 21 | 50.6 Ų | 50.6 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -51.5 | 178.2 | -72 | 97.2 | 0 | 0 | 0 | 112.9 | A193 V198 R239 V241 P242 L256 C261 K262 | A193-W258 HydrophobicContact CB-CH2 4.19Å; A193-W258 HydrophobicContact CB-CZ2 4.19Å; A193-W258 WeakPolarHBondContact O-CZ2 3.49Å; V198-W258 HydrophobicContact CG1-CD2 4.27Å; V198-W258 HydrophobicContact CG1-CG 4.31Å; V198-W258 HydrophobicContact CG2-CD2 4.08Å; V198-W258 HydrophobicContact CG2-CE3 4.45Å; V198-W258 HydrophobicContact CG2-CH2 4.04Å; V198-W258 HydrophobicContact CG2-CZ2 3.61Å; V198-W258 HydrophobicContact CG2-CZ3 4.47Å; R239-W258 HydrophobicContact CG-CZ3 4.25Å; R239-W258 VanDerWaalsContact CZ-CZ3 3.42Å; V241-W258 HydrophobicContact CG1-CB 3.89Å; V241-W258 HydrophobicContact CG1-CG 4.29Å; P242-W258 HydrophobicContact CG-CD2 4.11Å; P242-W258 HydrophobicContact CG-CE3 4.41Å; P242-W258 HydrophobicContact CG-CH2 3.88Å; P242-W258 HydrophobicContact CG-CZ2 3.51Å; P242-W258 HydrophobicContact CG-CZ3 4.26Å; L256-W258 PolarHBondContact O-N 3.15Å; L256-W258 VanDerWaalsContact O-N 3.17Å; W258-C261 WeakPolarHBondContact O-CB 3.48Å; W258-C261 PolarHBondContact O-N 3.13Å; W258-K262 PolarHBondContact O-N 2.94Å; W258-K262 VanDerWaalsContact O-N 3.14Å |
| 259 | W | 90.8 | Very high | 89 | Confident | 15 Ų | 15 | 48.2 Ų | 48.2 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 177.5 | -71 | 116.5 | 0 | 0 | 0 | 111.5 | V241 L256 C261 K262 K263 Y317 V318 T319 V322 | V241-W259 HydrophobicContact CB-CZ2 4.28Å; V241-W259 HydrophobicContact CG1-CZ2 4.36Å; V241-W259 HydrophobicContact CG2-CD2 4.44Å; V241-W259 HydrophobicContact CG2-CE3 4.5Å; V241-W259 HydrophobicContact CG2-CH2 3.98Å; V241-W259 HydrophobicContact CG2-CZ2 3.91Å; V241-W259 HydrophobicContact CG2-CZ3 4.29Å; L256-W259 PolarHBondContact O-N 3.4Å; W259-C261 VanDerWaalsContact C-N 3.35Å; W259-C261 PolarHBondContact O-N 3.31Å; W259-K262 HydrophobicContact CE3-CD 4.25Å; W259-K262 HydrophobicContact CZ3-CD 4.15Å; W259-K262 PolarHBondContact O-N 3.11Å; W259-K263 WeakPolarHBondContact O-CB 3.32Å; W259-K263 PolarHBondContact O-N 3.42Å; W259-Y317 AromaticContact CE2-CD1 3.98Å; W259-Y317 AromaticContact CE2-CE1 3.91Å; W259-Y317 HydrophobicContact CH2-CD1 4.48Å; W259-Y317 VanDerWaalsContact CH2-O 3.25Å; W259-Y317 WeakPolarHBondContact CH2-O 3.32Å; W259-Y317 AromaticContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CE1 4.03Å; W259-Y317 WeakPolarHBondContact CZ2-O 3.47Å; W259-Y317 AromaticContact NE1-CE1 3.8Å; W259-V318 HydrophobicContact CH2-CB 4.48Å; W259-V318 HydrophobicContact CZ3-CG1 4.26Å; W259-T319 HydrophobicContact CB-CG2 3.85Å; W259-T319 HydrophobicContact CD2-CG2 3.48Å; W259-T319 VanDerWaalsContact CD2-CG2 3.48Å; W259-T319 HydrophobicContact CE3-CG2 3.81Å; W259-T319 HydrophobicContact CG-CG2 3.49Å; W259-T319 VanDerWaalsContact CG-CG2 3.49Å; W259-V322 HydrophobicContact CE3-CG2 4.13Å; W259-V322 HydrophobicContact CZ3-CG1 4.47Å |
| 260 | K | 90 | Very high | 89.4 | Confident | 37 Ų | 37 | 42.7 Ų | 42.7 | 16% | 0.161 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -40 | 172.4 | -75.6 | 175.2 | 173.3 | 155.3 | 0 | 112.6 | K202 E255 L256 A257 K263 W264 | K202-K260 HydrophobicContact CD-CB 3.85Å; K202-K260 HydrophobicContact CD-CD 4.16Å; K202-K260 HydrophobicContact CG-CB 4.21Å; E255-K260 VanDerWaalsContact CD-NZ 3.33Å; E255-K260 WeakPolarHBondContact O-CD 3.41Å; E255-K260 VanDerWaalsContact O-CE 3.24Å; E255-K260 WeakPolarHBondContact O-CE 3.19Å; E255-K260 PolarHBondContact O-NZ 2.83Å; E255-K260 WeakPolarHBondContact OE1-CE 3.3Å; E255-K260 IonicContact OE1-NZ 2.79Å; E255-K260 WeakPolarHBondContact OE2-CE 3.12Å; E255-K260 IonicContact OE2-NZ 2.77Å; E255-K260 PolarHBondContact OE2-NZ 3Å; L256-K260 PolarHBondContact O-N 3.05Å; A257-K260 PolarHBondContact O-N 2.72Å; K260-K263 PolarHBondContact O-N 3.32Å; K260-W264 PolarHBondContact O-N 3.32Å |
| 261 | C | 92.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.6 | -53.5 | 174.1 | -85.4 | 0 | 0 | 0 | 0 | 111.5 | V198 K202 L205 I236 A257 W258 W259 K263 W264 T265 | V198-C261 HydrophobicContact CG1-CB 4.35Å; V198-C261 VanDerWaalsContact CG1-SG 3.58Å; V198-C261 PolarHBondContact O-SG 3.16Å; K202-C261 VanDerWaalsContact CA-SG 3.57Å; K202-C261 PolarHBondContact N-SG 3.06Å; L205-C261 HydrophobicContact CD1-CB 4.34Å; I236-C261 HydrophobicContact CG2-CB 4.28Å; A257-C261 WeakPolarHBondContact O-CB 3.15Å; A257-C261 PolarHBondContact O-N 3.23Å; W258-C261 WeakPolarHBondContact O-CB 3.48Å; W258-C261 PolarHBondContact O-N 3.13Å; W259-C261 VanDerWaalsContact C-N 3.35Å; W259-C261 PolarHBondContact O-N 3.31Å; C261-K263 VanDerWaalsContact C-N 3.3Å; C261-K263 PolarHBondContact O-N 3.48Å; C261-W264 PolarHBondContact O-N 3.21Å; C261-T265 WeakPolarHBondContact O-CB 3.4Å; C261-T265 PolarHBondContact O-N 3.43Å; C261-T265 PolarHBondContact O-OG1 3.49Å; C261-T265 VanDerWaalsContact O-OG1 3.12Å |
| 262 | K | 93.3 | Very high | 90.8 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 7% | 0.065 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.4 | -44.6 | 177.6 | -73.2 | -174 | 178.2 | -66.1 | 0 | 111.7 | I236 V237 R239 V241 W258 W259 W264 T265 L266 V322 | I236-K262 PolarHBondContact O-NZ 3.38Å; V237-K262 PolarHBondContact O-NZ 3.08Å; R239-K262 VanDerWaalsContact O-CE 3.28Å; R239-K262 WeakPolarHBondContact O-CE 3.43Å; R239-K262 PolarHBondContact O-NZ 2.92Å; V241-K262 HydrophobicContact CG2-CD 4.09Å; V241-K262 VanDerWaalsContact CG2-CE 3.42Å; W258-K262 PolarHBondContact O-N 2.94Å; W258-K262 VanDerWaalsContact O-N 3.14Å; W259-K262 HydrophobicContact CE3-CD 4.25Å; W259-K262 HydrophobicContact CZ3-CD 4.15Å; W259-K262 PolarHBondContact O-N 3.11Å; K262-W264 PolarHBondContact O-N 3.08Å; K262-T265 PolarHBondContact O-N 3.31Å; K262-L266 WeakPolarHBondContact O-CG 3.41Å; K262-L266 PolarHBondContact O-N 3.33Å; K262-V322 HydrophobicContact CB-CG2 3.98Å |
| 263 | K | 92.1 | Very high | 91.3 | Very high | 59 Ų | 59 | 28.9 Ų | 28.9 | 26% | 0.257 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -54.7 | -52.6 | 175.2 | 177.2 | -179.2 | 71.5 | -178.5 | 0 | 112.2 | W259 K260 C261 L266 R267 R321 V322 | W259-K263 WeakPolarHBondContact O-CB 3.32Å; W259-K263 PolarHBondContact O-N 3.42Å; K260-K263 PolarHBondContact O-N 3.32Å; C261-K263 VanDerWaalsContact C-N 3.3Å; C261-K263 PolarHBondContact O-N 3.48Å; K263-L266 PolarHBondContact O-N 2.84Å; K263-R267 WeakPolarHBondContact O-CB 3.15Å; K263-R267 PolarHBondContact O-N 2.98Å; K263-R321 HydrophobicContact CD-CB 4.28Å; K263-R321 HydrophobicContact CD-CG 3.62Å; K263-R321 HydrophobicContact CG-CG 3.9Å; K263-V322 HydrophobicContact CB-CG2 4.36Å |
| 264 | W | 94.3 | Very high | 91.6 | Very high | 33 Ų | 33 | 31 Ų | 31 | 13% | 0.125 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -39.4 | -179 | -81.2 | 108.5 | 0 | 0 | 0 | 112.2 | L205 K206 H209 K260 C261 K262 R267 I268 | L205-W264 HydrophobicContact CB-CB 3.96Å; L205-W264 HydrophobicContact CD1-CB 4.25Å; K206-W264 HydrophobicContact CD-CZ2 3.92Å; K206-W264 HydrophobicContact CG-CD2 3.7Å; K206-W264 VanDerWaalsContact CG-CE2 3.43Å; K206-W264 HydrophobicContact CG-CE3 4.17Å; K206-W264 HydrophobicContact CG-CG 4.16Å; K206-W264 HydrophobicContact CG-CH2 4.16Å; K206-W264 HydrophobicContact CG-CZ2 3.7Å; K206-W264 HydrophobicContact CG-CZ3 4.37Å; H209-W264 HydrophobicContact CB-CE3 4.12Å; H209-W264 HydrophobicContact CB-CZ3 4.14Å; H209-W264 AromaticContact CE1-CZ3 3.86Å; H209-W264 AromaticContact CG-CE3 4Å; H209-W264 AromaticContact CG-CZ3 3.72Å; H209-W264 AromaticContact ND1-CZ3 3.54Å; K260-W264 PolarHBondContact O-N 3.32Å; C261-W264 PolarHBondContact O-N 3.21Å; K262-W264 PolarHBondContact O-N 3.08Å; W264-R267 PolarHBondContact O-N 3.5Å; W264-I268 VanDerWaalsContact O-CD1 3.32Å; W264-I268 WeakPolarHBondContact O-CD1 3.43Å; W264-I268 VanDerWaalsContact O-CG1 3.22Å; W264-I268 WeakPolarHBondContact O-CG1 3.49Å; W264-I268 PolarHBondContact O-N 3.27Å |
| 265 | T | 96.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.6 | -49.1 | 174.2 | -66.3 | 0 | 0 | 0 | 0 | 111.7 | L205 L233 I236 V237 C261 K262 R267 I268 I269 | L205-T265 VanDerWaalsContact CD1-OG1 3.31Å; L205-T265 WeakPolarHBondContact CD1-OG1 3.43Å; L233-T265 HydrophobicContact CB-CG2 3.88Å; L233-T265 HydrophobicContact CD2-CG2 3.75Å; L233-T265 HydrophobicContact CG-CG2 4.42Å; L233-T265 VanDerWaalsContact O-CG2 3.24Å; L233-T265 WeakPolarHBondContact O-CG2 3.17Å; I236-T265 HydrophobicContact CB-CG2 4.31Å; I236-T265 HydrophobicContact CG2-CG2 4.42Å; I236-T265 WeakPolarHBondContact CG2-OG1 3.31Å; V237-T265 HydrophobicContact CG2-CG2 3.38Å; C261-T265 WeakPolarHBondContact O-CB 3.4Å; C261-T265 PolarHBondContact O-N 3.43Å; C261-T265 PolarHBondContact O-OG1 3.49Å; C261-T265 VanDerWaalsContact O-OG1 3.12Å; K262-T265 PolarHBondContact O-N 3.31Å; T265-R267 VanDerWaalsContact C-N 3.35Å; T265-R267 PolarHBondContact O-N 3.24Å; T265-I268 PolarHBondContact O-N 3.08Å; T265-I269 HydrophobicContact CG2-CD1 3.91Å; T265-I269 WeakPolarHBondContact O-CG1 3.18Å; T265-I269 PolarHBondContact O-N 3.18Å |
| 266 | L | 94.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.4 | -38.1 | 178.7 | -68.2 | 177.5 | 0 | 0 | 0 | 112.5 | V237 K262 K263 I268 I269 T270 L305 V322 Q325 | V237-L266 HydrophobicContact CG1-CD2 4.07Å; V237-L266 HydrophobicContact CG2-CD2 3.86Å; V237-L266 HydrophobicContact CG2-CG 4.41Å; K262-L266 WeakPolarHBondContact O-CG 3.41Å; K262-L266 PolarHBondContact O-N 3.33Å; K263-L266 PolarHBondContact O-N 2.84Å; L266-I268 VanDerWaalsContact C-N 3.31Å; L266-I268 PolarHBondContact O-N 3.16Å; L266-I269 PolarHBondContact O-N 3.02Å; L266-T270 VanDerWaalsContact O-CB 3.26Å; L266-T270 WeakPolarHBondContact O-CB 3.33Å; L266-T270 PolarHBondContact O-N 3.35Å; L266-T270 PolarHBondContact O-OG1 2.95Å; L266-L305 HydrophobicContact CD2-CD2 3.19Å; L266-V322 HydrophobicContact CD1-CB 4.2Å; L266-V322 HydrophobicContact CD1-CG1 3.67Å; L266-V322 HydrophobicContact CD1-CG2 4.36Å; L266-V322 WeakPolarHBondContact CD1-O 3.47Å; L266-Q325 HydrophobicContact CB-CB 3.7Å; L266-Q325 HydrophobicContact CB-CG 4.3Å; L266-Q325 HydrophobicContact CD1-CB 4.1Å |
| 267 | R | 92.9 | Very high | 92.4 | Very high | 98 Ų | 98 | 25.7 Ų | 25.7 | 37% | 0.37 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -60.4 | -41.7 | 175 | -168 | -179.3 | 171.4 | 169.1 | -0.2 | 111.9 | H209 K263 W264 T265 R271 | H209-R267 PolarHBondContact CE1-NE 3.36Å; H209-R267 VanDerWaalsContact CE1-NE 3.25Å; H209-R267 WeakPolarHBondContact NE2-CD 3.44Å; H209-R267 WeakPolarHBondContact NE2-CG 3.39Å; H209-R267 PolarHBondContact NE2-NE 3.33Å; K263-R267 WeakPolarHBondContact O-CB 3.15Å; K263-R267 PolarHBondContact O-N 2.98Å; W264-R267 PolarHBondContact O-N 3.5Å; T265-R267 VanDerWaalsContact C-N 3.35Å; T265-R267 PolarHBondContact O-N 3.24Å; R267-R271 WeakPolarHBondContact O-CB 3.4Å; R267-R271 PolarHBondContact O-N 2.94Å |
| 268 | I | 95.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.6 | -52.2 | 176.1 | -66.5 | 157.7 | 0 | 0 | 0 | 110.4 | L205 F208 H209 L233 W264 T265 L266 T270 R271 L272 | L205-I268 HydrophobicContact CB-CD1 4.04Å; L205-I268 HydrophobicContact CD2-CD1 3.92Å; L205-I268 WeakPolarHBondContact O-CD1 3.38Å; F208-I268 HydrophobicContact CD1-CD1 4.21Å; F208-I268 HydrophobicContact CD1-CG2 3.81Å; F208-I268 HydrophobicContact CE1-CG2 3.74Å; H209-I268 HydrophobicContact CB-CD1 4.09Å; H209-I268 HydrophobicContact CB-CG1 3.66Å; L233-I268 HydrophobicContact CD1-CG2 3.82Å; L233-I268 HydrophobicContact CD2-CD1 4.17Å; L233-I268 HydrophobicContact CD2-CG2 4.42Å; W264-I268 VanDerWaalsContact O-CD1 3.32Å; W264-I268 WeakPolarHBondContact O-CD1 3.43Å; W264-I268 VanDerWaalsContact O-CG1 3.22Å; W264-I268 WeakPolarHBondContact O-CG1 3.49Å; W264-I268 PolarHBondContact O-N 3.27Å; T265-I268 PolarHBondContact O-N 3.08Å; L266-I268 VanDerWaalsContact C-N 3.31Å; L266-I268 PolarHBondContact O-N 3.16Å; I268-T270 PolarHBondContact O-N 2.99Å; I268-R271 PolarHBondContact O-N 3.12Å; I268-L272 HydrophobicContact CG2-CD1 3.93Å; I268-L272 HydrophobicContact CG2-CG 4.34Å; I268-L272 WeakPolarHBondContact O-CB 3.48Å; I268-L272 VanDerWaalsContact O-CG 3.29Å; I268-L272 WeakPolarHBondContact O-CG 3.32Å; I268-L272 PolarHBondContact O-N 3.06Å |
| 269 | I | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | -176.6 | -68.4 | 173.1 | 0 | 0 | 0 | 111.4 | L233 V237 T265 L266 L272 F273 I301 Y329 | L233-I269 HydrophobicContact CB-CD1 3.92Å; L233-I269 HydrophobicContact CB-CG1 4.04Å; L233-I269 HydrophobicContact CD1-CG1 3.98Å; V237-I269 HydrophobicContact CG2-CD1 4.19Å; T265-I269 HydrophobicContact CG2-CD1 3.91Å; T265-I269 WeakPolarHBondContact O-CG1 3.18Å; T265-I269 PolarHBondContact O-N 3.18Å; L266-I269 PolarHBondContact O-N 3.02Å; I269-L272 PolarHBondContact O-N 2.95Å; I269-F273 PolarHBondContact O-N 3.02Å; I269-I301 HydrophobicContact CD1-CD1 4.33Å; I269-I301 HydrophobicContact CD1-CG1 4.41Å; I269-I301 HydrophobicContact CD1-CG2 4.4Å; I269-I301 HydrophobicContact CG1-CD1 4.4Å; I269-I301 HydrophobicContact CG2-CD1 3.53Å; I269-I301 HydrophobicContact CG2-CG1 4.31Å; I269-I301 HydrophobicContact CG2-CG2 3.7Å; I269-Y329 HydrophobicContact CG2-CD2 3.65Å; I269-Y329 HydrophobicContact CG2-CE2 3.29Å |
| 270 | T | 92.3 | Very high | 91.9 | Very high | 3 Ų | 3 | 25.4 Ų | 25.4 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -63.5 | -46.8 | 178.2 | -53.8 | 0 | 0 | 0 | 0 | 110.6 | L266 I268 L272 F273 E274 T328 | L266-T270 VanDerWaalsContact O-CB 3.26Å; L266-T270 WeakPolarHBondContact O-CB 3.33Å; L266-T270 PolarHBondContact O-N 3.35Å; L266-T270 PolarHBondContact O-OG1 2.95Å; I268-T270 PolarHBondContact O-N 2.99Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-L272 PolarHBondContact O-N 3.05Å; T270-F273 PolarHBondContact O-N 3.3Å; T270-F273 VanDerWaalsContact O-N 3.15Å; T270-E274 HydrophobicContact CG2-CG 4.4Å; T270-E274 WeakPolarHBondContact O-CG 3.12Å; T270-E274 PolarHBondContact O-N 3.46Å; T270-T328 HydrophobicContact CG2-CG2 3.57Å |
| 271 | R | 92.1 | Very high | 91.5 | Very high | 71 Ų | 71 | 27.7 Ų | 27.7 | 27% | 0.268 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -62.2 | -40 | 177.2 | -172.8 | 57.2 | 168.2 | -172.8 | -1.7 | 112.8 | Q213 R267 I268 F273 R275 | Q213-R271 PolarHBondContact O-NE 2.78Å; Q213-R271 PolarHBondContact O-NH2 3.22Å; R267-R271 WeakPolarHBondContact O-CB 3.4Å; R267-R271 PolarHBondContact O-N 2.94Å; I268-R271 PolarHBondContact O-N 3.12Å; R271-F273 VanDerWaalsContact C-N 3.33Å; R271-R275 WeakPolarHBondContact O-CB 3.36Å; R271-R275 PolarHBondContact O-N 3.27Å; R271-R275 VanDerWaalsContact O-N 3.1Å |
| 272 | L | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -43.2 | 175.4 | -74.7 | 175.5 | 0 | 0 | 0 | 111 | V212 L216 M226 M230 I268 I269 T270 Y276 G277 F293 | V212-L272 HydrophobicContact CB-CD2 4.47Å; V212-L272 HydrophobicContact CG2-CD2 4.24Å; L216-L272 HydrophobicContact CD1-CD2 4.34Å; M226-L272 HydrophobicContact CE-CD1 4.23Å; M226-L272 HydrophobicContact CE-CD2 4.09Å; M226-L272 HydrophobicContact SD-CD1 4.13Å; M230-L272 HydrophobicContact SD-CD1 4.12Å; I268-L272 HydrophobicContact CG2-CD1 3.93Å; I268-L272 HydrophobicContact CG2-CG 4.34Å; I268-L272 WeakPolarHBondContact O-CB 3.48Å; I268-L272 VanDerWaalsContact O-CG 3.29Å; I268-L272 WeakPolarHBondContact O-CG 3.32Å; I268-L272 PolarHBondContact O-N 3.06Å; I269-L272 PolarHBondContact O-N 2.95Å; T270-L272 VanDerWaalsContact C-N 3.34Å; T270-L272 PolarHBondContact O-N 3.05Å; L272-Y276 HydrophobicContact CD2-CD2 3.99Å; L272-Y276 CarbonylContact O-C 3.49Å; L272-Y276 WeakPolarHBondContact O-CA 3.39Å; L272-Y276 PolarHBondContact O-N 3.01Å; L272-G277 PolarHBondContact O-N 3.29Å; L272-F293 HydrophobicContact CB-CE2 3.96Å; L272-F293 HydrophobicContact CB-CZ 4.31Å |
| 273 | F | 93.4 | Very high | 90.9 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 0% | 0.004 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68.9 | -49.1 | -179.8 | -168.1 | -166.3 | 0 | 0 | 0 | 112.3 | I269 T270 R271 R275 G277 S278 F293 L294 Y329 Q332 H336 | I269-F273 PolarHBondContact O-N 3.02Å; T270-F273 PolarHBondContact O-N 3.3Å; T270-F273 VanDerWaalsContact O-N 3.15Å; R271-F273 VanDerWaalsContact C-N 3.33Å; F273-R275 PolarHBondContact O-N 3.47Å; F273-G277 WeakPolarHBondContact CD2-O 3.45Å; F273-G277 CarbonylContact O-C 3.55Å; F273-G277 PolarHBondContact O-N 3.11Å; F273-S278 PolarHBondContact O-N 3.04Å; F273-F293 HydrophobicContact CB-CE1 3.78Å; F273-F293 HydrophobicContact CB-CZ 4Å; F273-F293 HydrophobicContact CD2-CD1 4.16Å; F273-F293 AromaticContact CD2-CE1 3.68Å; F273-F293 HydrophobicContact CD2-CE1 3.68Å; F273-F293 HydrophobicContact CE2-CE1 4.45Å; F273-F293 AromaticContact CG-CE1 3.83Å; F273-F293 HydrophobicContact CG-CE1 3.83Å; F273-L294 HydrophobicContact CE2-CD1 4.07Å; F273-L294 HydrophobicContact CZ-CD1 4.16Å; F273-Y329 HydrophobicContact CB-CD2 4.28Å; F273-Y329 HydrophobicContact CB-CE2 3.77Å; F273-Y329 HydrophobicContact CD1-CD1 4.39Å; F273-Y329 AromaticContact CD1-CD2 3.87Å; F273-Y329 HydrophobicContact CD1-CD2 3.87Å; F273-Y329 HydrophobicContact CD1-CE1 4.05Å; F273-Y329 AromaticContact CD1-CE2 3.42Å; F273-Y329 HydrophobicContact CD1-CE2 3.42Å; F273-Y329 VanDerWaalsContact CD1-CE2 3.42Å; F273-Y329 HydrophobicContact CD1-CG 4.33Å; F273-Y329 AromaticContact CD1-CZ 3.53Å; F273-Y329 HydrophobicContact CE1-CE1 4.16Å; F273-Y329 HydrophobicContact CE1-CE2 4.31Å; F273-Y329 AromaticContact CE1-CZ 3.99Å; F273-Y329 AromaticContact CG-CE2 3.97Å; F273-Y329 HydrophobicContact CG-CE2 3.97Å; F273-Q332 HydrophobicContact CB-CG 4.49Å; F273-Q332 HydrophobicContact CD1-CB 3.71Å; F273-Q332 HydrophobicContact CD1-CG 3.6Å; F273-Q332 HydrophobicContact CD2-CG 4Å; F273-Q332 HydrophobicContact CE1-CB 3.82Å; F273-Q332 HydrophobicContact CE1-CG 3.74Å; F273-Q332 HydrophobicContact CE2-CG 4.1Å; F273-Q332 HydrophobicContact CG-CB 4.34Å; F273-Q332 HydrophobicContact CG-CG 3.76Å; F273-Q332 HydrophobicContact CZ-CB 4.49Å; F273-Q332 HydrophobicContact CZ-CG 4Å; F273-H336 AromaticContact CE2-CD2 3.89Å; F273-H336 AromaticContact CE2-NE2 3.91Å; F273-H336 AromaticContact CZ-CD2 3.73Å |
| 274 | E | 90.4 | Very high | 90.6 | Very high | 74 Ų | 74 | 38.1 Ų | 38.1 | 35% | 0.346 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -59 | -45 | -179.9 | -77.3 | 175.4 | 169 | 0 | 0 | 112.7 | T270 T328 Q332 | T270-E274 HydrophobicContact CG2-CG 4.4Å; T270-E274 WeakPolarHBondContact O-CG 3.12Å; T270-E274 PolarHBondContact O-N 3.46Å; E274-T328 VanDerWaalsContact OE1-CG2 3.25Å; E274-T328 WeakPolarHBondContact OE1-CG2 3.22Å; E274-Q332 HydrophobicContact CG-CG 4.44Å |
| 275 | R | 89.9 | Confident | 90.2 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 36% | 0.358 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -99.1 | -28.7 | -168.3 | -168.4 | 170.1 | 179 | 169.4 | 5.2 | 115 | Q213 Y214 R271 F273 V282 | Q213-R275 PolarHBondContact O-NH1 3.38Å; Q213-R275 VanDerWaalsContact O-NH1 3.11Å; Y214-R275 PolarHBondContact O-NH1 3.03Å; Y214-R275 PolarHBondContact O-NH2 3.47Å; R271-R275 WeakPolarHBondContact O-CB 3.36Å; R271-R275 PolarHBondContact O-N 3.27Å; R271-R275 VanDerWaalsContact O-N 3.1Å; F273-R275 PolarHBondContact O-N 3.47Å; R275-V282 WeakPolarHBondContact O-CG1 3.27Å |
| 276 | Y | 92.6 | Very high | 90 | Very high | 1 Ų | 1 | 43.2 Ų | 43.2 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -130 | -18.7 | -171.6 | -49 | -66.3 | 0 | 0 | 0 | 113.1 | V212 Y214 S215 L216 L272 Y286 F289 A290 | V212-Y276 VanDerWaalsContact O-CE2 3.31Å; V212-Y276 WeakPolarHBondContact O-CE2 3.47Å; V212-Y276 PolarHBondContact O-OH 3.16Å; Y214-Y276 PolarHBondContact O-OH 3.46Å; S215-Y276 VanDerWaalsContact CA-OH 3.26Å; S215-Y276 WeakPolarHBondContact CA-OH 3.47Å; S215-Y276 PolarHBondContact N-OH 3.1Å; S215-Y276 VanDerWaalsContact N-OH 3.09Å; L216-Y276 HydrophobicContact CB-CD1 3.89Å; L216-Y276 HydrophobicContact CB-CD2 4.01Å; L216-Y276 HydrophobicContact CB-CE1 3.79Å; L216-Y276 HydrophobicContact CB-CE2 3.93Å; L216-Y276 HydrophobicContact CB-CG 4Å; L216-Y276 HydrophobicContact CD2-CD1 4.38Å; L216-Y276 HydrophobicContact CD2-CD2 4.2Å; L216-Y276 HydrophobicContact CD2-CG 3.92Å; L272-Y276 HydrophobicContact CD2-CD2 3.99Å; L272-Y276 CarbonylContact O-C 3.49Å; L272-Y276 WeakPolarHBondContact O-CA 3.39Å; L272-Y276 PolarHBondContact O-N 3.01Å; Y276-Y286 AromaticContact CD1-CD1 3.97Å; Y276-Y286 HydrophobicContact CD1-CD1 3.97Å; Y276-Y286 AromaticContact CD1-CD2 3.62Å; Y276-Y286 HydrophobicContact CD1-CD2 3.62Å; Y276-Y286 HydrophobicContact CD1-CE1 4Å; Y276-Y286 AromaticContact CD1-CE2 3.66Å; Y276-Y286 HydrophobicContact CD1-CE2 3.66Å; Y276-Y286 AromaticContact CD1-CG 3.82Å; Y276-Y286 HydrophobicContact CD1-CG 3.82Å; Y276-Y286 AromaticContact CD1-CZ 3.88Å; Y276-Y286 HydrophobicContact CE1-CD2 4.08Å; Y276-Y286 HydrophobicContact CE1-CE1 4.24Å; Y276-Y286 AromaticContact CE1-CE2 3.63Å; Y276-Y286 HydrophobicContact CE1-CE2 3.63Å; Y276-Y286 AromaticContact CE1-CZ 3.75Å; Y276-F289 WeakPolarHBondContact O-CD1 3.4Å; Y276-A290 VanDerWaalsContact O-CA 3.28Å; Y276-A290 WeakPolarHBondContact O-CA 3.47Å; Y276-A290 VanDerWaalsContact O-CB 3.24Å; Y276-A290 WeakPolarHBondContact O-CB 3.49Å |
| 277 | G | 90.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -104.9 | 3.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L272 F273 P279 | L272-G277 PolarHBondContact O-N 3.29Å; F273-G277 WeakPolarHBondContact CD2-O 3.45Å; F273-G277 CarbonylContact O-C 3.55Å; F273-G277 PolarHBondContact O-N 3.11Å; G277-P279 WeakPolarHBondContact O-CD 3.31Å |
| 278 | S | 89.3 | Confident | 89.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -110.3 | 95.9 | -174.4 | -178.8 | 0 | 0 | 0 | 0 | 110.4 | F273 G280 N281 V282 Q332 H336 | F273-S278 PolarHBondContact O-N 3.04Å; S278-G280 PolarHBondContact O-N 3.4Å; S278-N281 PolarHBondContact O-N 3.45Å; S278-N281 PolarHBondContact OG-ND2 3.22Å; S278-V282 WeakPolarHBondContact O-CG1 2.96Å; S278-Q332 PolarHBondContact OG-NE2 3.07Å; S278-Q332 VanDerWaalsContact OG-NE2 3.14Å; S278-H336 PolarHBondContact OG-CE1 2.82Å; S278-H336 PolarHBondContact OG-NE2 3.47Å; S278-H336 VanDerWaalsContact OG-NE2 3.11Å |
| 279 | P | 87.3 | Confident | 89.5 | Confident | 11 Ų | 11 | 50 Ų | 50 | 7% | 0.071 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.7 | 136.5 | 177.4 | -29.2 | 35.6 | 0 | 0 | 0 | 112.4 | G277 N281 A290 D291 L294 V911 | G277-P279 WeakPolarHBondContact O-CD 3.31Å; P279-N281 PolarHBondContact O-N 3.12Å; P279-A290 HydrophobicContact CG-CB 4.09Å; P279-D291 WeakPolarHBondContact CG-OD1 3.36Å; P279-L294 HydrophobicContact CG-CB 4.21Å; P279-L294 HydrophobicContact CG-CD2 3.84Å; P279-V911 WeakPolarHBondContact O-CG2 3.36Å |
| 280 | G | 81.2 | Confident | 89.4 | Confident | 34 Ų | 34 | 50 Ų | 50 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75 | -7.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | S278 V911 | S278-G280 PolarHBondContact O-N 3.4Å; G280-V911 VanDerWaalsContact CA-CG1 3.49Å |
| 281 | N | 82.4 | Confident | 89.3 | Confident | 85 Ų | 85 | 53 Ų | 53 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -109.9 | 17.9 | 171.9 | -64.9 | -27.9 | 0 | 0 | 0 | 112.6 | S278 P279 | S278-N281 PolarHBondContact O-N 3.45Å; S278-N281 PolarHBondContact OG-ND2 3.22Å; P279-N281 PolarHBondContact O-N 3.12Å |
| 282 | V | 87.3 | Confident | 89.4 | Confident | 21 Ų | 21 | 52.3 Ų | 52.3 | 13% | 0.127 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -121.8 | 156.9 | -177.1 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | R275 S278 Q287 A290 | R275-V282 WeakPolarHBondContact O-CG1 3.27Å; S278-V282 WeakPolarHBondContact O-CG1 2.96Å; V282-Q287 HydrophobicContact CG2-CB 4.43Å; V282-A290 HydrophobicContact CG1-CB 4.26Å; V282-A290 HydrophobicContact CG2-CB 3.87Å |
| 283 | T | 85.8 | Confident | 89.4 | Confident | 79 Ų | 79 | 52.3 Ų | 52.3 | 49% | 0.485 | 26% | 0.258 | S | S | . | . | trans | -63.4 | 153.8 | 170.1 | 52.1 | 0 | 0 | 0 | 0 | 110.7 | E285 Y286 | T283-E285 PolarHBondContact O-N 3.47Å; T283-E285 WeakPolarHBondContact OG1-CG 3.47Å; T283-E285 PolarHBondContact OG1-OE1 2.96Å; T283-Y286 PolarHBondContact O-N 3.49Å; T283-Y286 WeakPolarHBondContact OG1-CD2 3.48Å; T283-Y286 WeakPolarHBondContact OG1-CE2 3.35Å | ||
| 284 | K | 86.4 | Confident | 89.3 | Confident | 192 Ų | 192 | 52.8 Ų | 52.8 | 84% | 0.835 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -51 | -33.8 | -176.3 | -67.7 | -178.5 | 178.6 | 176 | 0 | 113.4 | Y286 Q287 | K284-Y286 VanDerWaalsContact C-N 3.31Å; K284-Y286 PolarHBondContact O-N 3.49Å; K284-Q287 PolarHBondContact O-N 3.32Å |
| 285 | E | 86.6 | Confident | 89.4 | Confident | 125 Ų | 125 | 56.2 Ų | 56.2 | 58% | 0.584 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -64.2 | -26.7 | 178.5 | 55.6 | 174.3 | -175.1 | 0 | 0 | 114.6 | L218 T283 | L218-E285 WeakPolarHBondContact CD1-O 3.49Å; T283-E285 PolarHBondContact O-N 3.47Å; T283-E285 WeakPolarHBondContact OG1-CG 3.47Å; T283-E285 PolarHBondContact OG1-OE1 2.96Å |
| 286 | Y | 90.6 | Very high | 89.5 | Confident | 16 Ų | 16 | 55.1 Ų | 55.1 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -103.5 | 3 | -178.5 | -60.2 | -61.5 | 0 | 0 | 0 | 113.5 | L216 L218 Y276 T283 K284 E288 F289 A290 | L216-Y286 HydrophobicContact CB-CD1 4.45Å; L216-Y286 HydrophobicContact CB-CE1 3.75Å; L216-Y286 HydrophobicContact CD2-CD1 4.35Å; L216-Y286 HydrophobicContact CD2-CE1 4.41Å; L216-Y286 HydrophobicContact CG-CE1 4.37Å; L216-Y286 WeakPolarHBondContact O-CE1 3.49Å; L218-Y286 HydrophobicContact CD1-CD1 3.88Å; L218-Y286 HydrophobicContact CD1-CE1 4.09Å; L218-Y286 HydrophobicContact CD2-CD1 4.27Å; L218-Y286 HydrophobicContact CD2-CE1 4.46Å; L218-Y286 HydrophobicContact CG-CD1 4.13Å; L218-Y286 HydrophobicContact CG-CE1 4.02Å; Y276-Y286 AromaticContact CD1-CD1 3.97Å; Y276-Y286 HydrophobicContact CD1-CD1 3.97Å; Y276-Y286 AromaticContact CD1-CD2 3.62Å; Y276-Y286 HydrophobicContact CD1-CD2 3.62Å; Y276-Y286 HydrophobicContact CD1-CE1 4Å; Y276-Y286 AromaticContact CD1-CE2 3.66Å; Y276-Y286 HydrophobicContact CD1-CE2 3.66Å; Y276-Y286 AromaticContact CD1-CG 3.82Å; Y276-Y286 HydrophobicContact CD1-CG 3.82Å; Y276-Y286 AromaticContact CD1-CZ 3.88Å; Y276-Y286 HydrophobicContact CE1-CD2 4.08Å; Y276-Y286 HydrophobicContact CE1-CE1 4.24Å; Y276-Y286 AromaticContact CE1-CE2 3.63Å; Y276-Y286 HydrophobicContact CE1-CE2 3.63Å; Y276-Y286 AromaticContact CE1-CZ 3.75Å; T283-Y286 PolarHBondContact O-N 3.49Å; T283-Y286 WeakPolarHBondContact OG1-CD2 3.48Å; T283-Y286 WeakPolarHBondContact OG1-CE2 3.35Å; K284-Y286 VanDerWaalsContact C-N 3.31Å; K284-Y286 PolarHBondContact O-N 3.49Å; Y286-E288 PolarHBondContact O-N 2.85Å; Y286-F289 CarbonylContact O-C 3.54Å; Y286-F289 WeakPolarHBondContact O-CB 3.33Å; Y286-F289 PolarHBondContact O-N 3.35Å; Y286-F289 VanDerWaalsContact O-N 3.12Å; Y286-A290 WeakPolarHBondContact O-CB 3.38Å; Y286-A290 PolarHBondContact O-N 2.92Å |
| 287 | Q | 89.6 | Confident | 89.6 | Confident | 75 Ų | 75 | 55.9 Ų | 55.9 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | -169.8 | -158.9 | 149.4 | -7.7 | 0 | 0 | 112.7 | V282 K284 F289 A290 D291 | V282-Q287 HydrophobicContact CG2-CB 4.43Å; K284-Q287 PolarHBondContact O-N 3.32Å; Q287-F289 VanDerWaalsContact C-N 3.33Å; Q287-F289 PolarHBondContact O-N 3.22Å; Q287-A290 PolarHBondContact O-N 2.96Å; Q287-D291 PolarHBondContact O-N 3.37Å; Q287-D291 VanDerWaalsContact O-N 3.13Å |
| 288 | E | 90.8 | Very high | 89.7 | Confident | 162 Ų | 162 | 55.9 Ų | 55.9 | 76% | 0.757 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.1 | -39.3 | 173.8 | -63.8 | -175.2 | 172.8 | 0 | 0 | 112.2 | Y286 F292 | Y286-E288 PolarHBondContact O-N 2.85Å; E288-F292 WeakPolarHBondContact O-CB 3.49Å; E288-F292 PolarHBondContact O-N 3.36Å; E288-F292 VanDerWaalsContact O-N 3.17Å |
| 289 | F | 92.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 57.3 Ų | 57.3 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -66 | -41.2 | 176.8 | 175.8 | -92.4 | 0 | 0 | 0 | 111.5 | L216 L218 M226 Y276 Y286 Q287 F292 F293 | L216-F289 HydrophobicContact CD2-CD1 3.82Å; L216-F289 HydrophobicContact CD2-CD2 4.35Å; L216-F289 HydrophobicContact CD2-CE1 3.59Å; L216-F289 HydrophobicContact CD2-CE2 4.13Å; L216-F289 HydrophobicContact CD2-CG 4.22Å; L216-F289 HydrophobicContact CD2-CZ 3.77Å; L218-F289 HydrophobicContact CD2-CB 4.18Å; L218-F289 HydrophobicContact CD2-CD2 4.04Å; L218-F289 HydrophobicContact CD2-CG 4.13Å; M226-F289 HydrophobicContact CB-CE2 4.33Å; M226-F289 HydrophobicContact CE-CE2 3.92Å; M226-F289 HydrophobicContact CE-CZ 3.66Å; M226-F289 HydrophobicContact CG-CE2 3.88Å; M226-F289 HydrophobicContact CG-CZ 4.06Å; M226-F289 HydrophobicContact SD-CZ 4.45Å; Y276-F289 WeakPolarHBondContact O-CD1 3.4Å; Y286-F289 CarbonylContact O-C 3.54Å; Y286-F289 WeakPolarHBondContact O-CB 3.33Å; Y286-F289 PolarHBondContact O-N 3.35Å; Y286-F289 VanDerWaalsContact O-N 3.12Å; Q287-F289 VanDerWaalsContact C-N 3.33Å; Q287-F289 PolarHBondContact O-N 3.22Å; F289-F292 PolarHBondContact O-N 3.33Å; F289-F293 HydrophobicContact CE1-CB 4.18Å; F289-F293 HydrophobicContact CE1-CD2 4.17Å; F289-F293 HydrophobicContact CE1-CG 4.49Å; F289-F293 HydrophobicContact CZ-CB 4.43Å; F289-F293 HydrophobicContact CZ-CD2 4.06Å; F289-F293 VanDerWaalsContact O-CB 3.31Å; F289-F293 WeakPolarHBondContact O-CB 3.48Å; F289-F293 PolarHBondContact O-N 3Å |
| 290 | A | 92.1 | Very high | 90 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -46.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y276 P279 V282 Y286 Q287 F292 F293 L294 | Y276-A290 VanDerWaalsContact O-CA 3.28Å; Y276-A290 WeakPolarHBondContact O-CA 3.47Å; Y276-A290 VanDerWaalsContact O-CB 3.24Å; Y276-A290 WeakPolarHBondContact O-CB 3.49Å; P279-A290 HydrophobicContact CG-CB 4.09Å; V282-A290 HydrophobicContact CG1-CB 4.26Å; V282-A290 HydrophobicContact CG2-CB 3.87Å; Y286-A290 WeakPolarHBondContact O-CB 3.38Å; Y286-A290 PolarHBondContact O-N 2.92Å; Q287-A290 PolarHBondContact O-N 2.96Å; A290-F292 VanDerWaalsContact C-N 3.32Å; A290-F292 PolarHBondContact O-N 3.16Å; A290-F293 PolarHBondContact O-N 3.17Å; A290-L294 WeakPolarHBondContact O-CB 3.29Å; A290-L294 PolarHBondContact O-N 2.98Å |
| 291 | D | 91.4 | Very high | 90.7 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 36% | 0.358 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 176.6 | -82.5 | -23.5 | 0 | 0 | 0 | 111.9 | P279 Q287 K295 | P279-D291 WeakPolarHBondContact CG-OD1 3.36Å; Q287-D291 PolarHBondContact O-N 3.37Å; Q287-D291 VanDerWaalsContact O-N 3.13Å; D291-K295 WeakPolarHBondContact O-CB 3.46Å; D291-K295 WeakPolarHBondContact O-CD 3.36Å; D291-K295 VanDerWaalsContact O-CG 3.29Å; D291-K295 WeakPolarHBondContact O-CG 3.48Å; D291-K295 PolarHBondContact O-N 2.73Å |
| 292 | F | 92.4 | Very high | 91.2 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 25% | 0.25 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 177.5 | 178.4 | -104.9 | 0 | 0 | 0 | 112.1 | H223 E288 F289 A290 T296 Y297 | H223-F292 HydrophobicContact CB-CD1 4.42Å; H223-F292 HydrophobicContact CB-CE1 3.75Å; H223-F292 HydrophobicContact CB-CZ 3.96Å; H223-F292 AromaticContact CE1-CD1 3.69Å; H223-F292 AromaticContact CE1-CG 3.73Å; H223-F292 AromaticContact CG-CD1 3.98Å; H223-F292 AromaticContact CG-CE1 3.81Å; H223-F292 AromaticContact ND1-CD1 2.98Å; H223-F292 WeakPolarHBondContact ND1-CD1 3.24Å; H223-F292 AromaticContact ND1-CE1 3.24Å; H223-F292 WeakPolarHBondContact ND1-CE1 3.48Å; H223-F292 AromaticContact ND1-CG 3.43Å; H223-F292 WeakPolarHBondContact ND1-CG 3.37Å; H223-F292 AromaticContact ND1-CZ 3.96Å; E288-F292 WeakPolarHBondContact O-CB 3.49Å; E288-F292 PolarHBondContact O-N 3.36Å; E288-F292 VanDerWaalsContact O-N 3.17Å; F289-F292 PolarHBondContact O-N 3.33Å; A290-F292 VanDerWaalsContact C-N 3.32Å; A290-F292 PolarHBondContact O-N 3.16Å; F292-T296 WeakPolarHBondContact CD2-OG1 3.26Å; F292-T296 HydrophobicContact CE2-CG2 4.4Å; F292-T296 WeakPolarHBondContact CE2-OG1 3.41Å; F292-T296 HydrophobicContact CZ-CG2 4.29Å; F292-T296 WeakPolarHBondContact O-CB 3.47Å; F292-T296 PolarHBondContact O-N 3.23Å; F292-T296 PolarHBondContact O-OG1 2.93Å; F292-Y297 AromaticContact CD1-CE2 3.98Å; F292-Y297 HydrophobicContact CD1-CE2 3.98Å; F292-Y297 AromaticContact CE1-CE2 3.69Å; F292-Y297 HydrophobicContact CE1-CE2 3.69Å; F292-Y297 AromaticContact CE1-CZ 3.59Å; F292-Y297 WeakPolarHBondContact CE1-OH 3.25Å; F292-Y297 WeakPolarHBondContact CZ-OH 3.44Å |
| 293 | F | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.2 | -49.6 | 178.8 | 179.6 | -82.3 | 0 | 0 | 0 | 111.4 | M230 L272 F273 F289 A290 Y297 A298 | M230-F293 HydrophobicContact CE-CD2 4.14Å; M230-F293 HydrophobicContact CE-CE2 3.33Å; M230-F293 HydrophobicContact CE-CZ 3.82Å; M230-F293 HydrophobicContact SD-CE2 4.15Å; L272-F293 HydrophobicContact CB-CE2 3.96Å; L272-F293 HydrophobicContact CB-CZ 4.31Å; F273-F293 HydrophobicContact CB-CE1 3.78Å; F273-F293 HydrophobicContact CB-CZ 4Å; F273-F293 HydrophobicContact CD2-CD1 4.16Å; F273-F293 AromaticContact CD2-CE1 3.68Å; F273-F293 HydrophobicContact CD2-CE1 3.68Å; F273-F293 HydrophobicContact CE2-CE1 4.45Å; F273-F293 AromaticContact CG-CE1 3.83Å; F273-F293 HydrophobicContact CG-CE1 3.83Å; F289-F293 HydrophobicContact CE1-CB 4.18Å; F289-F293 HydrophobicContact CE1-CD2 4.17Å; F289-F293 HydrophobicContact CE1-CG 4.49Å; F289-F293 HydrophobicContact CZ-CB 4.43Å; F289-F293 HydrophobicContact CZ-CD2 4.06Å; F289-F293 VanDerWaalsContact O-CB 3.31Å; F289-F293 WeakPolarHBondContact O-CB 3.48Å; F289-F293 PolarHBondContact O-N 3Å; A290-F293 PolarHBondContact O-N 3.17Å; F293-Y297 HydrophobicContact CB-CD2 4.31Å; F293-Y297 AromaticContact CD2-CD2 3.76Å; F293-Y297 HydrophobicContact CD2-CD2 3.76Å; F293-Y297 HydrophobicContact CE2-CD2 4.38Å; F293-Y297 HydrophobicContact CG-CD2 4.17Å; F293-Y297 WeakPolarHBondContact O-CB 3.45Å; F293-Y297 PolarHBondContact O-N 2.85Å; F293-A298 PolarHBondContact O-N 2.92Å |
| 294 | L | 92.7 | Very high | 91.9 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 5% | 0.052 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -61 | -48.3 | -179.1 | -176.1 | 66.6 | 0 | 0 | 0 | 111.1 | F273 P279 A290 A298 H336 L338 T339 | F273-L294 HydrophobicContact CE2-CD1 4.07Å; F273-L294 HydrophobicContact CZ-CD1 4.16Å; P279-L294 HydrophobicContact CG-CB 4.21Å; P279-L294 HydrophobicContact CG-CD2 3.84Å; A290-L294 WeakPolarHBondContact O-CB 3.29Å; A290-L294 PolarHBondContact O-N 2.98Å; L294-A298 HydrophobicContact CD1-CB 3.93Å; L294-A298 WeakPolarHBondContact O-CB 3.49Å; L294-H336 HydrophobicContact CD1-CB 3.93Å; L294-H336 HydrophobicContact CD2-CB 4.05Å; L294-L338 HydrophobicContact CG-CD2 4.36Å; L294-L338 WeakPolarHBondContact O-CD2 3.31Å; L294-T339 HydrophobicContact CD1-CG2 4.19Å |
| 295 | K | 92.3 | Very high | 92.2 | Very high | 146 Ų | 146 | 43 Ų | 43 | 64% | 0.635 | 21% | 0.21 | S | C | * | . | I | π-helix | trans | -69.5 | -35.4 | -177.1 | -70.3 | 169.7 | -175 | 161.4 | 0 | 113.4 | D291 | D291-K295 WeakPolarHBondContact O-CB 3.46Å; D291-K295 WeakPolarHBondContact O-CD 3.36Å; D291-K295 VanDerWaalsContact O-CG 3.29Å; D291-K295 WeakPolarHBondContact O-CG 3.48Å; D291-K295 PolarHBondContact O-N 2.73Å |
| 296 | T | 92.8 | Very high | 92.6 | Very high | 73 Ų | 73 | 38.2 Ų | 38.2 | 45% | 0.448 | 19% | 0.188 | S | C | . | . | I | π-helix | trans | -97.1 | -38.1 | -169.7 | -46.1 | 0 | 0 | 0 | 0 | 112.6 | F292 | F292-T296 WeakPolarHBondContact CD2-OG1 3.26Å; F292-T296 HydrophobicContact CE2-CG2 4.4Å; F292-T296 WeakPolarHBondContact CE2-OG1 3.41Å; F292-T296 HydrophobicContact CZ-CG2 4.29Å; F292-T296 WeakPolarHBondContact O-CB 3.47Å; F292-T296 PolarHBondContact O-N 3.23Å; F292-T296 PolarHBondContact O-OG1 2.93Å |
| 297 | Y | 93 | Very high | 92.7 | Very high | 17 Ų | 17 | 41.2 Ų | 41.2 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -114.8 | -35.9 | -165.7 | -52.1 | -45.8 | 0 | 0 | 0 | 114.4 | H223 M226 T227 M230 F292 F293 V299 G300 I301 | H223-Y297 PolarHBondContact O-OH 2.89Å; M226-Y297 HydrophobicContact CG-CE2 4.03Å; T227-Y297 WeakPolarHBondContact CA-OH 3.47Å; T227-Y297 WeakPolarHBondContact CB-OH 3.24Å; T227-Y297 HydrophobicContact CG2-CE1 4.3Å; T227-Y297 PolarHBondContact N-OH 3.34Å; T227-Y297 PolarHBondContact OG1-OH 3.44Å; M230-Y297 HydrophobicContact CB-CD1 3.96Å; M230-Y297 HydrophobicContact CB-CE1 4.16Å; M230-Y297 HydrophobicContact CB-CG 4.18Å; M230-Y297 HydrophobicContact CE-CD2 4.02Å; M230-Y297 HydrophobicContact CE-CG 3.88Å; M230-Y297 HydrophobicContact CG-CD1 4.14Å; M230-Y297 HydrophobicContact CG-CD2 3.84Å; M230-Y297 HydrophobicContact CG-CE1 4.29Å; M230-Y297 HydrophobicContact CG-CE2 4Å; M230-Y297 HydrophobicContact CG-CG 3.92Å; F292-Y297 AromaticContact CD1-CE2 3.98Å; F292-Y297 HydrophobicContact CD1-CE2 3.98Å; F292-Y297 AromaticContact CE1-CE2 3.69Å; F292-Y297 HydrophobicContact CE1-CE2 3.69Å; F292-Y297 AromaticContact CE1-CZ 3.59Å; F292-Y297 WeakPolarHBondContact CE1-OH 3.25Å; F292-Y297 WeakPolarHBondContact CZ-OH 3.44Å; F293-Y297 HydrophobicContact CB-CD2 4.31Å; F293-Y297 AromaticContact CD2-CD2 3.76Å; F293-Y297 HydrophobicContact CD2-CD2 3.76Å; F293-Y297 HydrophobicContact CE2-CD2 4.38Å; F293-Y297 HydrophobicContact CG-CD2 4.17Å; F293-Y297 WeakPolarHBondContact O-CB 3.45Å; F293-Y297 PolarHBondContact O-N 2.85Å; Y297-V299 PolarHBondContact O-N 2.99Å; Y297-G300 PolarHBondContact O-N 3.22Å; Y297-G300 VanDerWaalsContact O-N 3.14Å; Y297-I301 PolarHBondContact O-N 3.11Å; Y297-I301 VanDerWaalsContact O-N 3.1Å |
| 298 | A | 92.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 19% | 0.187 | C | C | . | . | I | π-helix | trans | -58.9 | -45 | -166.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F293 L294 G300 I301 Q302 Y329 T339 | F293-A298 PolarHBondContact O-N 2.92Å; L294-A298 HydrophobicContact CD1-CB 3.93Å; L294-A298 WeakPolarHBondContact O-CB 3.49Å; A298-G300 PolarHBondContact O-N 3.32Å; A298-I301 PolarHBondContact O-N 2.98Å; A298-Q302 VanDerWaalsContact O-CB 3.24Å; A298-Q302 WeakPolarHBondContact O-CB 3.46Å; A298-Q302 PolarHBondContact O-N 3.02Å; A298-Y329 WeakPolarHBondContact CA-OH 3.34Å; A298-Y329 PolarHBondContact O-OH 3.28Å; A298-T339 HydrophobicContact CB-CG2 3.65Å |
| 299 | V | 92.1 | Very high | 93 | Very high | 30 Ų | 30 | 30.4 Ų | 30.4 | 18% | 0.182 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.4 | -44 | 178.4 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | Y297 I301 Q302 Q303 L338 Q342 | Y297-V299 PolarHBondContact O-N 2.99Å; V299-I301 VanDerWaalsContact C-N 3.33Å; V299-I301 PolarHBondContact O-N 3.19Å; V299-Q302 PolarHBondContact O-N 3.16Å; V299-Q303 WeakPolarHBondContact O-CG 3.49Å; V299-Q303 PolarHBondContact O-N 3.49Å; V299-L338 HydrophobicContact CG2-CD1 4.19Å; V299-L338 HydrophobicContact CG2-CD2 4.13Å; V299-L338 HydrophobicContact CG2-CG 3.77Å; V299-Q342 HydrophobicContact CG1-CG 3.9Å; V299-Q342 HydrophobicContact CG2-CG 4.39Å |
| 300 | G | 92.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 12% | 0.124 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.7 | -36.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R234 Y297 A298 | R234-G300 PolarHBondContact NE-O 3.21Å; Y297-G300 PolarHBondContact O-N 3.22Å; Y297-G300 VanDerWaalsContact O-N 3.14Å; A298-G300 PolarHBondContact O-N 3.32Å |
| 301 | I | 94.1 | Very high | 93 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 4% | 0.036 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -50.4 | 172.1 | -71.6 | 165.1 | 0 | 0 | 0 | 110.2 | M230 I269 Y297 A298 V299 Q303 V304 L305 Y329 | M230-I301 HydrophobicContact CE-CD1 3.13Å; M230-I301 HydrophobicContact CE-CG1 4.35Å; I269-I301 HydrophobicContact CD1-CD1 4.33Å; I269-I301 HydrophobicContact CD1-CG1 4.41Å; I269-I301 HydrophobicContact CD1-CG2 4.4Å; I269-I301 HydrophobicContact CG1-CD1 4.4Å; I269-I301 HydrophobicContact CG2-CD1 3.53Å; I269-I301 HydrophobicContact CG2-CG1 4.31Å; I269-I301 HydrophobicContact CG2-CG2 3.7Å; Y297-I301 PolarHBondContact O-N 3.11Å; Y297-I301 VanDerWaalsContact O-N 3.1Å; A298-I301 PolarHBondContact O-N 2.98Å; V299-I301 VanDerWaalsContact C-N 3.33Å; V299-I301 PolarHBondContact O-N 3.19Å; I301-Q303 PolarHBondContact O-N 3.08Å; I301-V304 WeakPolarHBondContact O-CA 3.4Å; I301-V304 WeakPolarHBondContact O-CB 3.34Å; I301-V304 PolarHBondContact O-N 2.69Å; I301-L305 HydrophobicContact CG2-CD1 3.85Å; I301-L305 HydrophobicContact CG2-CG 4.01Å; I301-L305 WeakPolarHBondContact O-CG 3.27Å; I301-L305 PolarHBondContact O-N 2.88Å; I301-Y329 HydrophobicContact CB-CE1 4.39Å; I301-Y329 HydrophobicContact CG2-CD1 4.33Å; I301-Y329 HydrophobicContact CG2-CD2 4.46Å; I301-Y329 HydrophobicContact CG2-CE1 3.74Å; I301-Y329 HydrophobicContact CG2-CE2 3.93Å |
| 302 | Q | 93.5 | Very high | 93.1 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.9 | -41.4 | -176.4 | -174.1 | 179 | 35.2 | 0 | 0 | 112 | A298 V299 V304 L305 L306 Y329 L330 T339 | A298-Q302 VanDerWaalsContact O-CB 3.24Å; A298-Q302 WeakPolarHBondContact O-CB 3.46Å; A298-Q302 PolarHBondContact O-N 3.02Å; V299-Q302 PolarHBondContact O-N 3.16Å; Q302-V304 VanDerWaalsContact C-N 3.32Å; Q302-V304 PolarHBondContact O-N 2.96Å; Q302-L305 PolarHBondContact O-N 2.97Å; Q302-L306 HydrophobicContact CG-CD1 4.26Å; Q302-L306 VanDerWaalsContact O-CG 3.29Å; Q302-L306 WeakPolarHBondContact O-CG 3.36Å; Q302-L306 PolarHBondContact O-N 3.25Å; Q302-Y329 HydrophobicContact CB-CE1 4.41Å; Q302-L330 HydrophobicContact CG-CD2 3.87Å; Q302-T339 PolarHBondContact NE2-O 2.98Å; Q302-T339 PolarHBondContact OE1-O 3.33Å; Q302-T339 VanDerWaalsContact OE1-O 3.06Å |
| 303 | Q | 93.1 | Very high | 93.1 | Very high | 92 Ų | 92 | 35 Ų | 35 | 43% | 0.43 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -58.1 | -41.5 | 175.2 | -73.6 | 174.3 | -10.7 | 0 | 0 | 113.1 | V299 I301 K307 | V299-Q303 WeakPolarHBondContact O-CG 3.49Å; V299-Q303 PolarHBondContact O-N 3.49Å; I301-Q303 PolarHBondContact O-N 3.08Å; Q303-K307 PolarHBondContact O-N 3.34Å; Q303-K307 VanDerWaalsContact O-N 3.14Å |
| 304 | V | 94.1 | Very high | 93 | Very high | 8 Ų | 8 | 42.9 Ų | 42.9 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -71.2 | -37.5 | 178.7 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | R234 V237 D238 I301 Q302 K307 V308 | R234-V304 HydrophobicContact CG-CG2 3.85Å; V237-V304 HydrophobicContact CB-CG1 3.75Å; V237-V304 HydrophobicContact CG1-CG1 3.58Å; D238-V304 HydrophobicContact CB-CG1 3.7Å; D238-V304 HydrophobicContact CB-CG2 4.19Å; I301-V304 WeakPolarHBondContact O-CA 3.4Å; I301-V304 WeakPolarHBondContact O-CB 3.34Å; I301-V304 PolarHBondContact O-N 2.69Å; Q302-V304 VanDerWaalsContact C-N 3.32Å; Q302-V304 PolarHBondContact O-N 2.96Å; V304-K307 WeakPolarHBondContact O-CB 3.4Å; V304-K307 PolarHBondContact O-N 3.48Å; V304-V308 PolarHBondContact O-N 3.03Å; V304-V308 VanDerWaalsContact O-N 3.1Å |
| 305 | L | 94.2 | Very high | 92.7 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -40.1 | 175.3 | -57.4 | -176.7 | 0 | 0 | 0 | 112.1 | V237 L266 I301 Q302 K307 V308 V309 Y329 | V237-L305 HydrophobicContact CG1-CD2 3.96Å; L266-L305 HydrophobicContact CD2-CD2 3.19Å; I301-L305 HydrophobicContact CG2-CD1 3.85Å; I301-L305 HydrophobicContact CG2-CG 4.01Å; I301-L305 WeakPolarHBondContact O-CG 3.27Å; I301-L305 PolarHBondContact O-N 2.88Å; Q302-L305 PolarHBondContact O-N 2.97Å; L305-K307 VanDerWaalsContact C-N 3.25Å; L305-K307 PolarHBondContact O-N 3.31Å; L305-V308 PolarHBondContact O-N 3.21Å; L305-V308 VanDerWaalsContact O-N 3.11Å; L305-V309 WeakPolarHBondContact O-CG2 3.41Å; L305-V309 PolarHBondContact O-N 3.18Å; L305-Y329 HydrophobicContact CD1-CD1 3.21Å; L305-Y329 HydrophobicContact CD1-CD2 4.26Å; L305-Y329 HydrophobicContact CD1-CE1 3.94Å; L305-Y329 HydrophobicContact CD1-CG 3.39Å |
| 306 | L | 93.9 | Very high | 92.6 | Very high | 24 Ų | 24 | 43.5 Ų | 43.5 | 13% | 0.126 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -35.8 | 174 | -71.5 | 171.9 | 0 | 0 | 0 | 111.7 | Q302 V309 D310 L330 H346 I350 | Q302-L306 HydrophobicContact CG-CD1 4.26Å; Q302-L306 VanDerWaalsContact O-CG 3.29Å; Q302-L306 WeakPolarHBondContact O-CG 3.36Å; Q302-L306 PolarHBondContact O-N 3.25Å; L306-V309 PolarHBondContact O-N 3.23Å; L306-D310 WeakPolarHBondContact O-CB 3.49Å; L306-D310 PolarHBondContact O-N 3.48Å; L306-L330 HydrophobicContact CD2-CD1 4.38Å; L306-L330 HydrophobicContact CD2-CD2 4.29Å; L306-L330 HydrophobicContact CG-CD2 4.5Å; L306-H346 HydrophobicContact CD2-CB 4.43Å; L306-I350 HydrophobicContact CD2-CD1 3.61Å |
| 307 | K | 93.6 | Very high | 92.4 | Very high | 80 Ų | 80 | 43.2 Ų | 43.2 | 35% | 0.348 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -45 | 171.7 | 179.8 | -175.9 | 166 | -166.4 | 0 | 111.5 | D238 Q303 V304 L305 V309 D310 Q311 | D238-K307 PolarHBondContact O-NZ 2.9Å; D238-K307 WeakPolarHBondContact OD1-CD 3.47Å; D238-K307 IonicContact OD1-NZ 2.66Å; D238-K307 PolarHBondContact OD1-NZ 3.38Å; Q303-K307 PolarHBondContact O-N 3.34Å; Q303-K307 VanDerWaalsContact O-N 3.14Å; V304-K307 WeakPolarHBondContact O-CB 3.4Å; V304-K307 PolarHBondContact O-N 3.48Å; L305-K307 VanDerWaalsContact C-N 3.25Å; L305-K307 PolarHBondContact O-N 3.31Å; K307-V309 VanDerWaalsContact C-N 3.34Å; K307-V309 PolarHBondContact O-N 3.48Å; K307-D310 PolarHBondContact O-N 3.48Å; K307-Q311 WeakPolarHBondContact O-CG 3.3Å; K307-Q311 PolarHBondContact O-N 3.12Å |
| 308 | V | 93 | Very high | 92.3 | Very high | 6 Ų | 6 | 43 Ų | 43 | 4% | 0.036 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 176.7 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | V237 V304 L305 D310 Q311 H312 V318 V322 | V237-V308 HydrophobicContact CG1-CG2 4.1Å; V304-V308 PolarHBondContact O-N 3.03Å; V304-V308 VanDerWaalsContact O-N 3.1Å; L305-V308 PolarHBondContact O-N 3.21Å; L305-V308 VanDerWaalsContact O-N 3.11Å; V308-D310 VanDerWaalsContact C-N 3.35Å; V308-Q311 WeakPolarHBondContact O-CB 3.32Å; V308-Q311 PolarHBondContact O-N 2.76Å; V308-H312 PolarHBondContact O-N 3.45Å; V308-H312 VanDerWaalsContact O-N 3.14Å; V308-V318 HydrophobicContact CG1-CG1 3.99Å; V308-V318 HydrophobicContact CG1-CG2 4.34Å; V308-V322 HydrophobicContact CG1-CG1 4.13Å |
| 309 | V | 94.1 | Very high | 92.1 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 2% | 0.018 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64 | -40.1 | 175.1 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | L305 L306 K307 H312 R313 L323 C326 F327 L330 I350 V354 | L305-V309 WeakPolarHBondContact O-CG2 3.41Å; L305-V309 PolarHBondContact O-N 3.18Å; L306-V309 PolarHBondContact O-N 3.23Å; K307-V309 VanDerWaalsContact C-N 3.34Å; K307-V309 PolarHBondContact O-N 3.48Å; V309-H312 PolarHBondContact O-N 3.45Å; V309-R313 PolarHBondContact O-N 3.27Å; V309-L323 HydrophobicContact CG2-CD1 4.45Å; V309-C326 HydrophobicContact CG2-CB 4.16Å; V309-F327 HydrophobicContact CG1-CE1 4.45Å; V309-F327 HydrophobicContact CG2-CE1 4.17Å; V309-L330 HydrophobicContact CG2-CD1 4.29Å; V309-I350 HydrophobicContact CG1-CG1 4.36Å; V309-V354 HydrophobicContact CG1-CB 4.43Å; V309-V354 HydrophobicContact CG1-CG1 4.04Å; V309-V354 HydrophobicContact CG1-CG2 3.94Å |
| 310 | D | 93.2 | Very high | 91.9 | Very high | 43 Ų | 43 | 44.4 Ų | 44.4 | 23% | 0.23 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -68.6 | -31.8 | 175.1 | -174.2 | 58.5 | 0 | 0 | 0 | 112.9 | L306 K307 V308 R313 R314 | L306-D310 WeakPolarHBondContact O-CB 3.49Å; L306-D310 PolarHBondContact O-N 3.48Å; K307-D310 PolarHBondContact O-N 3.48Å; V308-D310 VanDerWaalsContact C-N 3.35Å; D310-R313 WeakPolarHBondContact O-CB 3.4Å; D310-R313 PolarHBondContact O-N 3.21Å; D310-R313 IonicContact OD1-CZ 3.84Å; D310-R313 IonicContact OD1-NE 2.61Å; D310-R313 PolarHBondContact OD1-NE 2.86Å; D310-R313 IonicContact OD1-NH2 3.88Å; D310-R313 PolarHBondContact OD1-NH2 3.21Å; D310-R314 VanDerWaalsContact O-CG 3.3Å; D310-R314 WeakPolarHBondContact O-CG 3.34Å; D310-R314 PolarHBondContact O-N 3.35Å; D310-R314 VanDerWaalsContact O-N 3.09Å; D310-R314 IonicContact OD1-NE 3.58Å; D310-R314 IonicContact OD2-CZ 3.22Å; D310-R314 IonicContact OD2-NE 3.64Å; D310-R314 PolarHBondContact OD2-NE 2.91Å; D310-R314 IonicContact OD2-NH2 3.69Å; D310-R314 PolarHBondContact OD2-NH2 3.36Å |
| 311 | Q | 91.5 | Very high | 91.7 | Very high | 35 Ų | 35 | 48.3 Ų | 48.3 | 16% | 0.164 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -47.8 | 171.5 | -72.3 | 174.3 | -27.6 | 0 | 0 | 110.6 | D240 K307 V308 R313 R314 Q316 V318 | D240-Q311 PolarHBondContact OD1-NE2 2.93Å; K307-Q311 WeakPolarHBondContact O-CG 3.3Å; K307-Q311 PolarHBondContact O-N 3.12Å; V308-Q311 WeakPolarHBondContact O-CB 3.32Å; V308-Q311 PolarHBondContact O-N 2.76Å; Q311-R313 PolarHBondContact O-N 3.09Å; Q311-R314 PolarHBondContact O-N 3.39Å; Q311-Q316 HydrophobicContact CB-CB 4.21Å; Q311-Q316 VanDerWaalsContact CG-OE1 3.29Å; Q311-Q316 VanDerWaalsContact O-CB 3.31Å; Q311-Q316 WeakPolarHBondContact O-CB 3.29Å; Q311-Q316 PolarHBondContact O-N 3.08Å; Q311-V318 HydrophobicContact CB-CG2 4.47Å |
| 312 | H | 92.5 | Very high | 91.6 | Very high | 56 Ų | 56 | 48 Ų | 48 | 26% | 0.259 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 175.4 | 179.5 | 55.1 | 0 | 0 | 0 | 111.9 | V308 V309 R314 G315 V318 L323 | V308-H312 PolarHBondContact O-N 3.45Å; V308-H312 VanDerWaalsContact O-N 3.14Å; V309-H312 PolarHBondContact O-N 3.45Å; H312-R314 PolarHBondContact O-N 3.4Å; H312-G315 PolarHBondContact O-N 3.1Å; H312-V318 HydrophobicContact CB-CB 4.43Å; H312-V318 HydrophobicContact CB-CG2 4.11Å; H312-L323 HydrophobicContact CB-CD1 4.26Å; H312-L323 VanDerWaalsContact CD2-CD2 3.42Å; H312-L323 WeakPolarHBondContact CD2-CD2 2.87Å; H312-L323 WeakPolarHBondContact NE2-CD2 3.47Å |
| 313 | R | 93 | Very high | 91.5 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 34% | 0.34 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -54.9 | -35 | 175.6 | -169.8 | -173.9 | 70.2 | 91.4 | 1.8 | 113.1 | V309 D310 Q311 G315 E353 V354 | V309-R313 PolarHBondContact O-N 3.27Å; D310-R313 WeakPolarHBondContact O-CB 3.4Å; D310-R313 PolarHBondContact O-N 3.21Å; D310-R313 IonicContact OD1-CZ 3.84Å; D310-R313 IonicContact OD1-NE 2.61Å; D310-R313 PolarHBondContact OD1-NE 2.86Å; D310-R313 IonicContact OD1-NH2 3.88Å; D310-R313 PolarHBondContact OD1-NH2 3.21Å; Q311-R313 PolarHBondContact O-N 3.09Å; R313-G315 PolarHBondContact O-N 2.95Å; R313-E353 VanDerWaalsContact CD-OE2 3.27Å; R313-E353 WeakPolarHBondContact CD-OE2 3.42Å; R313-E353 HydrophobicContact CG-CB 3.96Å; R313-E353 IonicContact CZ-OE2 3.48Å; R313-E353 IonicContact NE-OE2 3.79Å; R313-E353 IonicContact NH1-OE2 2.74Å; R313-E353 PolarHBondContact NH1-OE2 3.11Å; R313-V354 HydrophobicContact CB-CG2 3.9Å; R313-V354 HydrophobicContact CG-CG2 4.02Å |
| 314 | R | 91.7 | Very high | 91.4 | Very high | 166 Ų | 166 | 44.5 Ų | 44.5 | 63% | 0.626 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 4.8 | 178.6 | -66.1 | 174.3 | -166.7 | -157.9 | 3.9 | 113.8 | D310 Q311 H312 | D310-R314 VanDerWaalsContact O-CG 3.3Å; D310-R314 WeakPolarHBondContact O-CG 3.34Å; D310-R314 PolarHBondContact O-N 3.35Å; D310-R314 VanDerWaalsContact O-N 3.09Å; D310-R314 IonicContact OD1-NE 3.58Å; D310-R314 IonicContact OD2-CZ 3.22Å; D310-R314 IonicContact OD2-NE 3.64Å; D310-R314 PolarHBondContact OD2-NE 2.91Å; D310-R314 IonicContact OD2-NH2 3.69Å; D310-R314 PolarHBondContact OD2-NH2 3.36Å; Q311-R314 PolarHBondContact O-N 3.39Å; H312-R314 PolarHBondContact O-N 3.4Å |
| 315 | G | 87.2 | Confident | 91.3 | Very high | 70 Ų | 70 | 45 Ų | 45 | 72% | 0.722 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.8 | 15.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | H312 R313 | H312-G315 PolarHBondContact O-N 3.1Å; R313-G315 PolarHBondContact O-N 2.95Å |
| 316 | Q | 89.6 | Confident | 91.3 | Very high | 99 Ų | 99 | 45 Ų | 45 | 46% | 0.463 | 22% | 0.223 | S | C | . | . | trans | -77.7 | 139 | 170.5 | -58.7 | -176.8 | -6.2 | 0 | 0 | 109.6 | Q311 V318 | Q311-Q316 HydrophobicContact CB-CB 4.21Å; Q311-Q316 VanDerWaalsContact CG-OE1 3.29Å; Q311-Q316 VanDerWaalsContact O-CB 3.31Å; Q311-Q316 WeakPolarHBondContact O-CB 3.29Å; Q311-Q316 PolarHBondContact O-N 3.08Å; Q316-V318 PolarHBondContact O-N 3.24Å | ||
| 317 | Y | 88.8 | Confident | 91.4 | Very high | 67 Ų | 67 | 43.8 Ų | 43.8 | 26% | 0.263 | 22% | 0.217 | S | C | . | . | trans | -63.3 | 125.2 | -179.3 | -179.3 | -101.2 | 0 | 0 | 0 | 111.2 | L246 R253 W259 T319 | L246-Y317 HydrophobicContact CD2-CD1 4.33Å; L246-Y317 HydrophobicContact CD2-CG 4.35Å; R253-Y317 HydrophobicContact CB-CE1 3.73Å; R253-Y317 HydrophobicContact CG-CE1 4.34Å; W259-Y317 AromaticContact CE2-CD1 3.98Å; W259-Y317 AromaticContact CE2-CE1 3.91Å; W259-Y317 HydrophobicContact CH2-CD1 4.48Å; W259-Y317 VanDerWaalsContact CH2-O 3.25Å; W259-Y317 WeakPolarHBondContact CH2-O 3.32Å; W259-Y317 AromaticContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CD1 3.65Å; W259-Y317 HydrophobicContact CZ2-CE1 4.03Å; W259-Y317 WeakPolarHBondContact CZ2-O 3.47Å; W259-Y317 AromaticContact NE1-CE1 3.8Å; Y317-T319 HydrophobicContact CE1-CG2 3.75Å | ||
| 318 | V | 89.5 | Confident | 91.3 | Very high | 12 Ų | 12 | 41.2 Ų | 41.2 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | trans | -133 | 129.5 | 170.9 | 179 | 0 | 0 | 0 | 0 | 106.8 | W259 V308 Q311 H312 Q316 A320 V322 L323 | W259-V318 HydrophobicContact CH2-CB 4.48Å; W259-V318 HydrophobicContact CZ3-CG1 4.26Å; V308-V318 HydrophobicContact CG1-CG1 3.99Å; V308-V318 HydrophobicContact CG1-CG2 4.34Å; Q311-V318 HydrophobicContact CB-CG2 4.47Å; H312-V318 HydrophobicContact CB-CB 4.43Å; H312-V318 HydrophobicContact CB-CG2 4.11Å; Q316-V318 PolarHBondContact O-N 3.24Å; V318-A320 PolarHBondContact O-N 2.95Å; V318-V322 HydrophobicContact CG1-CB 4.08Å; V318-V322 HydrophobicContact CG1-CG1 3.7Å; V318-L323 HydrophobicContact CG1-CB 4.18Å | ||
| 319 | T | 88.9 | Confident | 91.3 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.037 | 21% | 0.207 | C | C | . | . | trans | -62.5 | 140.9 | 179.1 | 52.4 | 0 | 0 | 0 | 0 | 110.9 | P254 W259 Y317 R321 V322 L323 | P254-T319 HydrophobicContact CB-CG2 4.31Å; P254-T319 HydrophobicContact CG-CG2 4.31Å; W259-T319 HydrophobicContact CB-CG2 3.85Å; W259-T319 HydrophobicContact CD2-CG2 3.48Å; W259-T319 VanDerWaalsContact CD2-CG2 3.48Å; W259-T319 HydrophobicContact CE3-CG2 3.81Å; W259-T319 HydrophobicContact CG-CG2 3.49Å; W259-T319 VanDerWaalsContact CG-CG2 3.49Å; Y317-T319 HydrophobicContact CE1-CG2 3.75Å; T319-R321 PolarHBondContact O-N 3.29Å; T319-R321 VanDerWaalsContact O-N 3.16Å; T319-V322 PolarHBondContact O-N 3.21Å; T319-V322 WeakPolarHBondContact OG1-CB 3.45Å; T319-V322 VanDerWaalsContact OG1-CG2 3.26Å; T319-V322 WeakPolarHBondContact OG1-CG2 3.46Å; T319-L323 PolarHBondContact O-N 3.46Å; T319-L323 VanDerWaalsContact O-N 3.08Å | ||
| 320 | A | 88.1 | Confident | 91.4 | Very high | 54 Ų | 54 | 40.9 Ų | 40.9 | 45% | 0.446 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -47.9 | -47 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V318 V322 L323 Q324 P390 | V318-A320 PolarHBondContact O-N 2.95Å; A320-V322 VanDerWaalsContact C-N 3.34Å; A320-V322 PolarHBondContact O-N 3.43Å; A320-L323 PolarHBondContact O-N 3.42Å; A320-Q324 VanDerWaalsContact O-CB 3.31Å; A320-Q324 WeakPolarHBondContact O-CB 3.31Å; A320-Q324 PolarHBondContact O-N 3.34Å; A320-P390 HydrophobicContact CB-CG 3.6Å; A320-P390 WeakPolarHBondContact O-CG 3.38Å |
| 321 | R | 87.8 | Confident | 91.4 | Very high | 94 Ų | 94 | 40 Ų | 40 | 36% | 0.355 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -65.3 | -31.9 | -179.1 | -164.3 | 56.9 | 165.7 | 171.6 | -7.9 | 114.1 | K263 T319 Q324 Q325 H387 | K263-R321 HydrophobicContact CD-CB 4.28Å; K263-R321 HydrophobicContact CD-CG 3.62Å; K263-R321 HydrophobicContact CG-CG 3.9Å; T319-R321 PolarHBondContact O-N 3.29Å; T319-R321 VanDerWaalsContact O-N 3.16Å; R321-Q324 VanDerWaalsContact NH1-CD 3.32Å; R321-Q325 VanDerWaalsContact O-CG 3.26Å; R321-Q325 WeakPolarHBondContact O-CG 3.46Å; R321-Q325 PolarHBondContact O-N 2.91Å; R321-H387 PolarHBondContact NH1-O 2.89Å |
| 322 | V | 91.6 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.006 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.8 | -45.6 | 175.2 | 162.8 | 0 | 0 | 0 | 0 | 109.9 | W259 K262 K263 L266 V308 V318 T319 A320 Q324 Q325 C326 | W259-V322 HydrophobicContact CE3-CG2 4.13Å; W259-V322 HydrophobicContact CZ3-CG1 4.47Å; K262-V322 HydrophobicContact CB-CG2 3.98Å; K263-V322 HydrophobicContact CB-CG2 4.36Å; L266-V322 HydrophobicContact CD1-CB 4.2Å; L266-V322 HydrophobicContact CD1-CG1 3.67Å; L266-V322 HydrophobicContact CD1-CG2 4.36Å; L266-V322 WeakPolarHBondContact CD1-O 3.47Å; V308-V322 HydrophobicContact CG1-CG1 4.13Å; V318-V322 HydrophobicContact CG1-CB 4.08Å; V318-V322 HydrophobicContact CG1-CG1 3.7Å; T319-V322 PolarHBondContact O-N 3.21Å; T319-V322 WeakPolarHBondContact OG1-CB 3.45Å; T319-V322 VanDerWaalsContact OG1-CG2 3.26Å; T319-V322 WeakPolarHBondContact OG1-CG2 3.46Å; A320-V322 VanDerWaalsContact C-N 3.34Å; A320-V322 PolarHBondContact O-N 3.43Å; V322-Q324 PolarHBondContact O-N 3.48Å; V322-Q325 PolarHBondContact O-N 3.47Å; V322-C326 PolarHBondContact O-N 3.48Å; V322-C326 PolarHBondContact O-SG 3.29Å; V322-C326 VanDerWaalsContact O-SG 3.32Å |
| 323 | L | 92.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.2 | -174.2 | 62.1 | 0 | 0 | 0 | 112 | V309 H312 V318 T319 A320 Q325 C326 F327 L358 P390 | V309-L323 HydrophobicContact CG2-CD1 4.45Å; H312-L323 HydrophobicContact CB-CD1 4.26Å; H312-L323 VanDerWaalsContact CD2-CD2 3.42Å; H312-L323 WeakPolarHBondContact CD2-CD2 2.87Å; H312-L323 WeakPolarHBondContact NE2-CD2 3.47Å; V318-L323 HydrophobicContact CG1-CB 4.18Å; T319-L323 PolarHBondContact O-N 3.46Å; T319-L323 VanDerWaalsContact O-N 3.08Å; A320-L323 PolarHBondContact O-N 3.42Å; L323-Q325 PolarHBondContact O-N 2.76Å; L323-C326 WeakPolarHBondContact O-CB 3.21Å; L323-C326 PolarHBondContact O-N 2.76Å; L323-F327 HydrophobicContact CD1-CE1 4.15Å; L323-F327 HydrophobicContact CD1-CE2 3.93Å; L323-F327 HydrophobicContact CD1-CZ 3.57Å; L323-F327 HydrophobicContact CD2-CE2 4.09Å; L323-F327 HydrophobicContact CD2-CZ 4.25Å; L323-F327 HydrophobicContact CG-CD2 4.33Å; L323-F327 HydrophobicContact CG-CE2 3.57Å; L323-F327 HydrophobicContact CG-CZ 3.76Å; L323-F327 WeakPolarHBondContact O-CD2 3.43Å; L323-F327 PolarHBondContact O-N 3.01Å; L323-L358 HydrophobicContact CD2-CD1 4.23Å; L323-L358 HydrophobicContact CD2-CD2 4.45Å; L323-P390 HydrophobicContact CD2-CB 4.02Å; L323-P390 HydrophobicContact CG-CB 4.32Å |
| 324 | Q | 91.3 | Very high | 91.2 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 7% | 0.07 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -55.6 | -50.1 | 174.6 | -178.2 | -84.4 | -28.6 | 0 | 0 | 111.5 | A320 R321 V322 C326 F327 T328 H387 A393 | A320-Q324 VanDerWaalsContact O-CB 3.31Å; A320-Q324 WeakPolarHBondContact O-CB 3.31Å; A320-Q324 PolarHBondContact O-N 3.34Å; R321-Q324 VanDerWaalsContact NH1-CD 3.32Å; V322-Q324 PolarHBondContact O-N 3.48Å; Q324-C326 VanDerWaalsContact C-N 3.32Å; Q324-C326 PolarHBondContact O-N 2.96Å; Q324-F327 PolarHBondContact O-N 3.33Å; Q324-T328 PolarHBondContact NE2-OG1 3.44Å; Q324-T328 PolarHBondContact O-N 3.22Å; Q324-T328 PolarHBondContact O-OG1 3.2Å; Q324-T328 VanDerWaalsContact O-OG1 3.07Å; Q324-H387 PolarHBondContact NE2-O 3.04Å; Q324-A393 HydrophobicContact CG-CB 3.86Å |
| 325 | Q | 91.4 | Very high | 91.1 | Very high | 19 Ų | 19 | 25 Ų | 25 | 9% | 0.089 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.9 | -33.1 | 178.1 | -67.2 | -71.8 | -58.9 | 0 | 0 | 112.8 | L266 R321 V322 L323 T328 Y329 | L266-Q325 HydrophobicContact CB-CB 3.7Å; L266-Q325 HydrophobicContact CB-CG 4.3Å; L266-Q325 HydrophobicContact CD1-CB 4.1Å; R321-Q325 VanDerWaalsContact O-CG 3.26Å; R321-Q325 WeakPolarHBondContact O-CG 3.46Å; R321-Q325 PolarHBondContact O-N 2.91Å; V322-Q325 PolarHBondContact O-N 3.47Å; L323-Q325 PolarHBondContact O-N 2.76Å; Q325-T328 PolarHBondContact O-N 3.38Å; Q325-Y329 PolarHBondContact O-N 2.99Å |
| 326 | C | 94.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 171.8 | -71.5 | 0 | 0 | 0 | 0 | 110.8 | V309 V322 L323 Q324 Y329 L330 | V309-C326 HydrophobicContact CG2-CB 4.16Å; V322-C326 PolarHBondContact O-N 3.48Å; V322-C326 PolarHBondContact O-SG 3.29Å; V322-C326 VanDerWaalsContact O-SG 3.32Å; L323-C326 WeakPolarHBondContact O-CB 3.21Å; L323-C326 PolarHBondContact O-N 2.76Å; Q324-C326 VanDerWaalsContact C-N 3.32Å; Q324-C326 PolarHBondContact O-N 2.96Å; C326-Y329 PolarHBondContact O-N 3.18Å; C326-L330 VanDerWaalsContact O-CG 3.28Å; C326-L330 WeakPolarHBondContact O-CG 3.47Å; C326-L330 PolarHBondContact O-N 2.77Å |
| 327 | F | 94.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.3 | -61.7 | -39 | 0 | 0 | 0 | 112.6 | V309 L323 Q324 Y329 L330 N331 V354 L358 P390 A393 A394 L397 | V309-F327 HydrophobicContact CG1-CE1 4.45Å; V309-F327 HydrophobicContact CG2-CE1 4.17Å; L323-F327 HydrophobicContact CD1-CE1 4.15Å; L323-F327 HydrophobicContact CD1-CE2 3.93Å; L323-F327 HydrophobicContact CD1-CZ 3.57Å; L323-F327 HydrophobicContact CD2-CE2 4.09Å; L323-F327 HydrophobicContact CD2-CZ 4.25Å; L323-F327 HydrophobicContact CG-CD2 4.33Å; L323-F327 HydrophobicContact CG-CE2 3.57Å; L323-F327 HydrophobicContact CG-CZ 3.76Å; L323-F327 WeakPolarHBondContact O-CD2 3.43Å; L323-F327 PolarHBondContact O-N 3.01Å; Q324-F327 PolarHBondContact O-N 3.33Å; F327-Y329 VanDerWaalsContact C-N 3.34Å; F327-Y329 PolarHBondContact O-N 3.25Å; F327-L330 PolarHBondContact O-N 3.36Å; F327-N331 VanDerWaalsContact O-CB 3.29Å; F327-N331 WeakPolarHBondContact O-CB 3.43Å; F327-N331 PolarHBondContact O-N 3.12Å; F327-V354 HydrophobicContact CE1-CG1 4.01Å; F327-V354 HydrophobicContact CZ-CG1 3.66Å; F327-L358 HydrophobicContact CE2-CD1 3.5Å; F327-L358 VanDerWaalsContact CE2-CD1 3.5Å; F327-L358 HydrophobicContact CZ-CD1 3.69Å; F327-P390 HydrophobicContact CE2-CB 4.4Å; F327-A393 HydrophobicContact CB-CB 3.94Å; F327-A393 HydrophobicContact CD2-CB 4.31Å; F327-A394 HydrophobicContact CD2-CB 3.89Å; F327-A394 HydrophobicContact CE2-CB 3.83Å; F327-A394 HydrophobicContact CZ-CB 4.41Å; F327-L397 HydrophobicContact CB-CD2 4.38Å; F327-L397 HydrophobicContact CD1-CD2 3.91Å; F327-L397 HydrophobicContact CG-CD2 4.46Å |
| 328 | T | 92.8 | Very high | 91.4 | Very high | 26 Ų | 26 | 17.6 Ų | 17.6 | 16% | 0.16 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.4 | -44.6 | 176.1 | -50.8 | 0 | 0 | 0 | 0 | 111.8 | T270 E274 Q324 Q325 N331 Q332 | T270-T328 HydrophobicContact CG2-CG2 3.57Å; E274-T328 VanDerWaalsContact OE1-CG2 3.25Å; E274-T328 WeakPolarHBondContact OE1-CG2 3.22Å; Q324-T328 PolarHBondContact NE2-OG1 3.44Å; Q324-T328 PolarHBondContact O-N 3.22Å; Q324-T328 PolarHBondContact O-OG1 3.2Å; Q324-T328 VanDerWaalsContact O-OG1 3.07Å; Q325-T328 PolarHBondContact O-N 3.38Å; T328-N331 WeakPolarHBondContact O-CB 3.48Å; T328-N331 PolarHBondContact O-N 2.89Å; T328-Q332 PolarHBondContact O-N 3.06Å; T328-Q332 VanDerWaalsContact O-N 3.12Å |
| 329 | Y | 93.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 17 Ų | 17 | 0% | 0.004 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.9 | -45.1 | 176.4 | -172.8 | -83.3 | 0 | 0 | 0 | 112.5 | I269 F273 A298 I301 Q302 L305 Q325 C326 F327 N331 Q332 G333 | I269-Y329 HydrophobicContact CG2-CD2 3.65Å; I269-Y329 HydrophobicContact CG2-CE2 3.29Å; F273-Y329 HydrophobicContact CB-CD2 4.28Å; F273-Y329 HydrophobicContact CB-CE2 3.77Å; F273-Y329 HydrophobicContact CD1-CD1 4.39Å; F273-Y329 AromaticContact CD1-CD2 3.87Å; F273-Y329 HydrophobicContact CD1-CD2 3.87Å; F273-Y329 HydrophobicContact CD1-CE1 4.05Å; F273-Y329 AromaticContact CD1-CE2 3.42Å; F273-Y329 HydrophobicContact CD1-CE2 3.42Å; F273-Y329 VanDerWaalsContact CD1-CE2 3.42Å; F273-Y329 HydrophobicContact CD1-CG 4.33Å; F273-Y329 AromaticContact CD1-CZ 3.53Å; F273-Y329 HydrophobicContact CE1-CE1 4.16Å; F273-Y329 HydrophobicContact CE1-CE2 4.31Å; F273-Y329 AromaticContact CE1-CZ 3.99Å; F273-Y329 AromaticContact CG-CE2 3.97Å; F273-Y329 HydrophobicContact CG-CE2 3.97Å; A298-Y329 WeakPolarHBondContact CA-OH 3.34Å; A298-Y329 PolarHBondContact O-OH 3.28Å; I301-Y329 HydrophobicContact CB-CE1 4.39Å; I301-Y329 HydrophobicContact CG2-CD1 4.33Å; I301-Y329 HydrophobicContact CG2-CD2 4.46Å; I301-Y329 HydrophobicContact CG2-CE1 3.74Å; I301-Y329 HydrophobicContact CG2-CE2 3.93Å; Q302-Y329 HydrophobicContact CB-CE1 4.41Å; L305-Y329 HydrophobicContact CD1-CD1 3.21Å; L305-Y329 HydrophobicContact CD1-CD2 4.26Å; L305-Y329 HydrophobicContact CD1-CE1 3.94Å; L305-Y329 HydrophobicContact CD1-CG 3.39Å; Q325-Y329 PolarHBondContact O-N 2.99Å; C326-Y329 PolarHBondContact O-N 3.18Å; F327-Y329 VanDerWaalsContact C-N 3.34Å; F327-Y329 PolarHBondContact O-N 3.25Å; Y329-N331 PolarHBondContact O-N 3.31Å; Y329-Q332 PolarHBondContact O-N 3.34Å; Y329-G333 PolarHBondContact O-N 2.98Å |
| 330 | L | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.5 | -35.1 | 177 | -67 | 176.4 | 0 | 0 | 0 | 111.3 | Q302 L306 V309 C326 F327 G333 L334 M343 L397 | Q302-L330 HydrophobicContact CG-CD2 3.87Å; L306-L330 HydrophobicContact CD2-CD1 4.38Å; L306-L330 HydrophobicContact CD2-CD2 4.29Å; L306-L330 HydrophobicContact CG-CD2 4.5Å; V309-L330 HydrophobicContact CG2-CD1 4.29Å; C326-L330 VanDerWaalsContact O-CG 3.28Å; C326-L330 WeakPolarHBondContact O-CG 3.47Å; C326-L330 PolarHBondContact O-N 2.77Å; F327-L330 PolarHBondContact O-N 3.36Å; L330-G333 PolarHBondContact O-N 3.46Å; L330-G333 VanDerWaalsContact O-N 3.17Å; L330-L334 PolarHBondContact O-N 2.87Å; L330-M343 HydrophobicContact CB-SD 4Å; L330-M343 HydrophobicContact CD2-SD 3.82Å; L330-M343 HydrophobicContact CG-SD 4.37Å; L330-L397 HydrophobicContact CB-CD1 4.02Å; L330-L397 HydrophobicContact CB-CD2 4.25Å |
| 331 | N | 93.2 | Very high | 91.9 | Very high | 25 Ų | 25 | 19.3 Ų | 19.3 | 13% | 0.134 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.9 | -167 | 40.1 | 0 | 0 | 0 | 111.6 | F327 T328 Y329 G333 L334 S396 L397 K400 | F327-N331 VanDerWaalsContact O-CB 3.29Å; F327-N331 WeakPolarHBondContact O-CB 3.43Å; F327-N331 PolarHBondContact O-N 3.12Å; T328-N331 WeakPolarHBondContact O-CB 3.48Å; T328-N331 PolarHBondContact O-N 2.89Å; Y329-N331 PolarHBondContact O-N 3.31Å; N331-G333 VanDerWaalsContact C-N 3.34Å; N331-L334 WeakPolarHBondContact O-CB 3.29Å; N331-L334 PolarHBondContact O-N 3.11Å; N331-S396 PolarHBondContact ND2-OG 3.47Å; N331-L397 HydrophobicContact CB-CB 4.49Å; N331-L397 HydrophobicContact CB-CD1 3.99Å; N331-K400 WeakPolarHBondContact O-CD 3.35Å; N331-K400 PolarHBondContact O-NZ 3.26Å; N331-K400 WeakPolarHBondContact OD1-CB 3.41Å; N331-K400 WeakPolarHBondContact OD1-CD 3.34Å |
| 332 | Q | 91.1 | Very high | 92 | Very high | 29 Ų | 29 | 19 Ų | 19 | 14% | 0.136 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 172.5 | -169.5 | 60.6 | 19.7 | 0 | 0 | 111.6 | F273 E274 S278 T328 Y329 L334 S335 | F273-Q332 HydrophobicContact CB-CG 4.49Å; F273-Q332 HydrophobicContact CD1-CB 3.71Å; F273-Q332 HydrophobicContact CD1-CG 3.6Å; F273-Q332 HydrophobicContact CD2-CG 4Å; F273-Q332 HydrophobicContact CE1-CB 3.82Å; F273-Q332 HydrophobicContact CE1-CG 3.74Å; F273-Q332 HydrophobicContact CE2-CG 4.1Å; F273-Q332 HydrophobicContact CG-CB 4.34Å; F273-Q332 HydrophobicContact CG-CG 3.76Å; F273-Q332 HydrophobicContact CZ-CB 4.49Å; F273-Q332 HydrophobicContact CZ-CG 4Å; E274-Q332 HydrophobicContact CG-CG 4.44Å; S278-Q332 PolarHBondContact OG-NE2 3.07Å; S278-Q332 VanDerWaalsContact OG-NE2 3.14Å; T328-Q332 PolarHBondContact O-N 3.06Å; T328-Q332 VanDerWaalsContact O-N 3.12Å; Y329-Q332 PolarHBondContact O-N 3.34Å; Q332-L334 PolarHBondContact O-N 3.34Å; Q332-L334 VanDerWaalsContact O-N 3.16Å; Q332-S335 PolarHBondContact O-N 3.42Å |
| 333 | G | 90.9 | Very high | 92 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -65.7 | -13.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y329 L330 N331 S335 T339 | Y329-G333 PolarHBondContact O-N 2.98Å; L330-G333 PolarHBondContact O-N 3.46Å; L330-G333 VanDerWaalsContact O-N 3.17Å; N331-G333 VanDerWaalsContact C-N 3.34Å; G333-S335 VanDerWaalsContact C-N 3.29Å; G333-S335 PolarHBondContact O-N 3.12Å; G333-T339 WeakPolarHBondContact O-CB 3.49Å; G333-T339 PolarHBondContact O-OG1 3.42Å |
| 334 | L | 91.4 | Very high | 92 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -30.6 | 177.3 | -76.5 | 169.8 | 0 | 0 | 0 | 113.2 | L330 N331 Q332 H336 W340 M343 L397 K400 A401 R405 | L330-L334 PolarHBondContact O-N 2.87Å; N331-L334 WeakPolarHBondContact O-CB 3.29Å; N331-L334 PolarHBondContact O-N 3.11Å; Q332-L334 PolarHBondContact O-N 3.34Å; Q332-L334 VanDerWaalsContact O-N 3.16Å; L334-H336 VanDerWaalsContact C-N 3.27Å; L334-H336 PolarHBondContact O-N 3.39Å; L334-W340 HydrophobicContact CD2-CE3 3.82Å; L334-W340 HydrophobicContact CD2-CZ3 3.68Å; L334-M343 HydrophobicContact CD2-CE 3.27Å; L334-M343 HydrophobicContact CG-CE 3.72Å; L334-L397 HydrophobicContact CD1-CD1 3.7Å; L334-L397 HydrophobicContact CG-CD1 4.21Å; L334-K400 HydrophobicContact CB-CD 4.43Å; L334-K400 HydrophobicContact CD1-CB 3.84Å; L334-K400 HydrophobicContact CD1-CD 4.16Å; L334-K400 HydrophobicContact CD1-CG 3.98Å; L334-A401 HydrophobicContact CD1-CB 3.82Å; L334-A401 HydrophobicContact CD2-CB 3.91Å; L334-R405 HydrophobicContact CD2-CG 4.36Å; L334-R405 VanDerWaalsContact O-CZ 3.31Å; L334-R405 PolarHBondContact O-NE 2.67Å; L334-R405 VanDerWaalsContact O-NE 3.11Å; L334-R405 PolarHBondContact O-NH2 3.49Å |
| 335 | S | 88.9 | Confident | 92.1 | Very high | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.014 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -15.6 | -174.6 | -64.8 | 0 | 0 | 0 | 0 | 113.7 | Q332 G333 K400 D909 E910 | Q332-S335 PolarHBondContact O-N 3.42Å; G333-S335 VanDerWaalsContact C-N 3.29Å; G333-S335 PolarHBondContact O-N 3.12Å; S335-K400 VanDerWaalsContact OG-CE 3.25Å; S335-K400 WeakPolarHBondContact OG-CE 3.47Å; S335-K400 PolarHBondContact OG-NZ 3.18Å; S335-D909 WeakPolarHBondContact O-CA 3.46Å; S335-E910 WeakPolarHBondContact CB-OE2 3.46Å; S335-E910 PolarHBondContact O-N 3.47Å; S335-E910 PolarHBondContact OG-OE2 3.45Å |
| 336 | H | 90.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | trans | -114.2 | 133.2 | -176.3 | -54.3 | -75 | 0 | 0 | 0 | 111.8 | F273 S278 L294 L334 L338 T339 W340 D909 | F273-H336 AromaticContact CE2-CD2 3.89Å; F273-H336 AromaticContact CE2-NE2 3.91Å; F273-H336 AromaticContact CZ-CD2 3.73Å; S278-H336 PolarHBondContact OG-CE1 2.82Å; S278-H336 PolarHBondContact OG-NE2 3.47Å; S278-H336 VanDerWaalsContact OG-NE2 3.11Å; L294-H336 HydrophobicContact CD1-CB 3.93Å; L294-H336 HydrophobicContact CD2-CB 4.05Å; L334-H336 VanDerWaalsContact C-N 3.27Å; L334-H336 PolarHBondContact O-N 3.39Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-L338 PolarHBondContact O-N 2.92Å; H336-T339 PolarHBondContact O-OG1 3.14Å; H336-T339 VanDerWaalsContact O-OG1 3.12Å; H336-W340 WeakPolarHBondContact O-CB 3.32Å; H336-W340 PolarHBondContact O-N 2.94Å; H336-D909 IonicContact ND1-OD2 3.66Å; H336-D909 PolarHBondContact ND1-OD2 2.86Å | ||
| 337 | S | 90.3 | Very high | 92.1 | Very high | 19 Ų | 19 | 28.9 Ų | 28.9 | 13% | 0.133 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -57.6 | -41 | 177.7 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | W340 K341 E908 D909 | S337-W340 PolarHBondContact O-N 3.38Å; S337-K341 VanDerWaalsContact O-CG 3.3Å; S337-K341 WeakPolarHBondContact O-CG 3.46Å; S337-K341 PolarHBondContact O-N 3.4Å; S337-E908 WeakPolarHBondContact CB-O 3.42Å; S337-D909 WeakPolarHBondContact CA-OD1 3.38Å; S337-D909 WeakPolarHBondContact CB-OD1 3.48Å; S337-D909 PolarHBondContact N-OD1 3.02Å; S337-D909 PolarHBondContact OG-OD1 3.35Å |
| 338 | L | 92.2 | Very high | 91.9 | Very high | 62 Ų | 62 | 33.4 Ų | 33.4 | 33% | 0.325 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.2 | -50.1 | -176.9 | 179.5 | 64.8 | 0 | 0 | 0 | 112 | L294 V299 H336 | L294-L338 HydrophobicContact CG-CD2 4.36Å; L294-L338 WeakPolarHBondContact O-CD2 3.31Å; V299-L338 HydrophobicContact CG2-CD1 4.19Å; V299-L338 HydrophobicContact CG2-CD2 4.13Å; V299-L338 HydrophobicContact CG2-CG 3.77Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-L338 PolarHBondContact O-N 2.92Å |
| 339 | T | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -74.7 | -32.9 | 177.7 | 42.8 | 0 | 0 | 0 | 0 | 111.6 | L294 A298 Q302 G333 H336 Q342 M343 | L294-T339 HydrophobicContact CD1-CG2 4.19Å; A298-T339 HydrophobicContact CB-CG2 3.65Å; Q302-T339 PolarHBondContact NE2-O 2.98Å; Q302-T339 PolarHBondContact OE1-O 3.33Å; Q302-T339 VanDerWaalsContact OE1-O 3.06Å; G333-T339 WeakPolarHBondContact O-CB 3.49Å; G333-T339 PolarHBondContact O-OG1 3.42Å; H336-T339 PolarHBondContact O-OG1 3.14Å; H336-T339 VanDerWaalsContact O-OG1 3.12Å; T339-Q342 PolarHBondContact O-N 2.72Å; T339-M343 PolarHBondContact O-N 2.96Å; T339-M343 VanDerWaalsContact O-N 3.15Å |
| 340 | W | 93.1 | Very high | 92 | Very high | 6 Ų | 6 | 35 Ų | 35 | 2% | 0.023 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63 | -43.2 | 175.4 | 174.4 | -116.3 | 0 | 0 | 0 | 112.7 | L334 H336 S337 Q342 M343 K344 M347 R405 I408 S906 | L334-W340 HydrophobicContact CD2-CE3 3.82Å; L334-W340 HydrophobicContact CD2-CZ3 3.68Å; H336-W340 WeakPolarHBondContact O-CB 3.32Å; H336-W340 PolarHBondContact O-N 2.94Å; S337-W340 PolarHBondContact O-N 3.38Å; W340-Q342 PolarHBondContact O-N 3.48Å; W340-Q342 VanDerWaalsContact O-N 3.14Å; W340-M343 HydrophobicContact CE3-CB 4.47Å; W340-M343 HydrophobicContact CE3-CE 3.79Å; W340-M343 HydrophobicContact CZ3-CE 4.09Å; W340-M343 PolarHBondContact O-N 2.83Å; W340-K344 HydrophobicContact CD2-CB 4.26Å; W340-K344 HydrophobicContact CH2-CB 4.39Å; W340-K344 HydrophobicContact CH2-CG 4.43Å; W340-K344 HydrophobicContact CZ2-CB 3.96Å; W340-K344 HydrophobicContact CZ2-CD 4.18Å; W340-K344 HydrophobicContact CZ2-CG 3.78Å; W340-K344 WeakPolarHBondContact O-CB 3.33Å; W340-K344 PolarHBondContact O-N 3.47Å; W340-M347 HydrophobicContact CH2-CB 4.34Å; W340-M347 HydrophobicContact CH2-CG 4.22Å; W340-M347 HydrophobicContact CZ3-CB 4.41Å; W340-M347 HydrophobicContact CZ3-CG 4.19Å; W340-R405 HydrophobicContact CD2-CG 3.95Å; W340-R405 HydrophobicContact CE3-CG 3.94Å; W340-R405 VanDerWaalsContact CG-CZ 3.45Å; W340-R405 HydrophobicContact CH2-CB 3.73Å; W340-R405 HydrophobicContact CH2-CG 3.69Å; W340-R405 HydrophobicContact CZ2-CB 3.7Å; W340-R405 HydrophobicContact CZ2-CG 3.7Å; W340-R405 HydrophobicContact CZ3-CB 4.34Å; W340-R405 HydrophobicContact CZ3-CG 3.82Å; W340-I408 HydrophobicContact CH2-CD1 4.05Å; W340-I408 HydrophobicContact CH2-CG1 4Å; W340-S906 PolarHBondContact NE1-OG 3.36Å |
| 341 | K | 91.8 | Very high | 92 | Very high | 102 Ų | 102 | 35.4 Ų | 35.4 | 44% | 0.443 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -53.8 | -36 | 178.2 | -78.5 | 172.1 | -176.7 | -174.9 | 0 | 113.1 | S337 D907 | S337-K341 VanDerWaalsContact O-CG 3.3Å; S337-K341 WeakPolarHBondContact O-CG 3.46Å; S337-K341 PolarHBondContact O-N 3.4Å; K341-D907 WeakPolarHBondContact CE-OD1 3.38Å; K341-D907 IonicContact NZ-OD1 3.66Å; K341-D907 PolarHBondContact NZ-OD1 2.97Å |
| 342 | Q | 90.4 | Very high | 92 | Very high | 87 Ų | 87 | 36.7 Ų | 36.7 | 41% | 0.407 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -80.9 | -34.6 | 178.4 | -62 | -63.6 | -39.5 | 0 | 0 | 112.3 | V299 T339 W340 P345 H346 | V299-Q342 HydrophobicContact CG1-CG 3.9Å; V299-Q342 HydrophobicContact CG2-CG 4.39Å; T339-Q342 PolarHBondContact O-N 2.72Å; W340-Q342 PolarHBondContact O-N 3.48Å; W340-Q342 VanDerWaalsContact O-N 3.14Å; Q342-P345 WeakPolarHBondContact O-CD 3.48Å; Q342-H346 PolarHBondContact O-CD2 3.33Å |
| 343 | M | 91.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -80.5 | -34.8 | -178.3 | -167.9 | 161 | 58.7 | 0 | 0 | 113.9 | L330 L334 T339 W340 P345 H346 M347 | L330-M343 HydrophobicContact CB-SD 4Å; L330-M343 HydrophobicContact CD2-SD 3.82Å; L330-M343 HydrophobicContact CG-SD 4.37Å; L334-M343 HydrophobicContact CD2-CE 3.27Å; L334-M343 HydrophobicContact CG-CE 3.72Å; T339-M343 PolarHBondContact O-N 2.96Å; T339-M343 VanDerWaalsContact O-N 3.15Å; W340-M343 HydrophobicContact CE3-CB 4.47Å; W340-M343 HydrophobicContact CE3-CE 3.79Å; W340-M343 HydrophobicContact CZ3-CE 4.09Å; W340-M343 PolarHBondContact O-N 2.83Å; M343-P345 VanDerWaalsContact C-CD 3.46Å; M343-H346 WeakPolarHBondContact O-CA 3.28Å; M343-H346 PolarHBondContact O-N 3.12Å; M343-M347 HydrophobicContact CG-SD 4.34Å; M343-M347 PolarHBondContact O-N 3.28Å |
| 344 | K | 92.5 | Very high | 92.3 | Very high | 66 Ų | 66 | 39.8 Ų | 39.8 | 29% | 0.287 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -43.9 | -51.3 | -177.3 | -175.6 | 177.3 | -175.9 | 176 | 0 | 114.1 | W340 H346 M347 E407 | W340-K344 HydrophobicContact CD2-CB 4.26Å; W340-K344 HydrophobicContact CH2-CB 4.39Å; W340-K344 HydrophobicContact CH2-CG 4.43Å; W340-K344 HydrophobicContact CZ2-CB 3.96Å; W340-K344 HydrophobicContact CZ2-CD 4.18Å; W340-K344 HydrophobicContact CZ2-CG 3.78Å; W340-K344 WeakPolarHBondContact O-CB 3.33Å; W340-K344 PolarHBondContact O-N 3.47Å; K344-H346 PolarHBondContact O-N 2.92Å; K344-M347 PolarHBondContact O-N 3.05Å; K344-E407 VanDerWaalsContact CE-CD 3.49Å; K344-E407 WeakPolarHBondContact CE-OE1 3.48Å; K344-E407 WeakPolarHBondContact CE-OE2 3.43Å; K344-E407 IonicContact NZ-OE1 2.87Å; K344-E407 PolarHBondContact NZ-OE1 3.16Å; K344-E407 IonicContact NZ-OE2 2.91Å; K344-E407 PolarHBondContact NZ-OE2 2.84Å |
| 345 | P | 92.9 | Very high | 92.5 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 57% | 0.571 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -64.4 | -22.3 | -179 | 25.6 | -35.9 | 0 | 0 | 0 | 113.9 | Q342 M343 | Q342-P345 WeakPolarHBondContact O-CD 3.48Å; M343-P345 VanDerWaalsContact C-CD 3.46Å |
| 346 | H | 92.8 | Very high | 92.8 | Very high | 92 Ų | 92 | 40.3 Ų | 40.3 | 43% | 0.426 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -95.6 | -17.7 | -179.8 | -57.1 | -67.7 | 0 | 0 | 0 | 112.7 | L306 Q342 M343 K344 Q348 T349 I350 | L306-H346 HydrophobicContact CD2-CB 4.43Å; Q342-H346 PolarHBondContact O-CD2 3.33Å; M343-H346 WeakPolarHBondContact O-CA 3.28Å; M343-H346 PolarHBondContact O-N 3.12Å; K344-H346 PolarHBondContact O-N 2.92Å; H346-Q348 VanDerWaalsContact C-N 3.32Å; H346-Q348 PolarHBondContact O-N 3.37Å; H346-T349 PolarHBondContact O-N 2.87Å; H346-T349 VanDerWaalsContact O-N 3.13Å; H346-I350 HydrophobicContact CB-CD1 3.92Å; H346-I350 HydrophobicContact CB-CG1 4.47Å; H346-I350 VanDerWaalsContact O-CG1 3.29Å; H346-I350 WeakPolarHBondContact O-CG1 3.36Å; H346-I350 PolarHBondContact O-N 2.88Å |
| 347 | M | 92.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.6 | -37.8 | -169.9 | -163.7 | 65 | -119.2 | 0 | 0 | 112.9 | W340 M343 K344 I350 C351 I355 I408 | W340-M347 HydrophobicContact CH2-CB 4.34Å; W340-M347 HydrophobicContact CH2-CG 4.22Å; W340-M347 HydrophobicContact CZ3-CB 4.41Å; W340-M347 HydrophobicContact CZ3-CG 4.19Å; M343-M347 HydrophobicContact CG-SD 4.34Å; M343-M347 PolarHBondContact O-N 3.28Å; K344-M347 PolarHBondContact O-N 3.05Å; M347-I350 HydrophobicContact CE-CB 4.02Å; M347-I350 HydrophobicContact CE-CG2 3.76Å; M347-I350 PolarHBondContact O-N 3.49Å; M347-C351 WeakPolarHBondContact CE-SG 3.4Å; M347-C351 WeakPolarHBondContact O-CB 3.42Å; M347-C351 PolarHBondContact O-N 3.47Å; M347-C351 PolarHBondContact O-SG 3.28Å; M347-I355 HydrophobicContact CE-CD1 3.98Å; M347-I408 HydrophobicContact CB-CD1 3.94Å; M347-I408 HydrophobicContact CG-CD1 3.43Å; M347-I408 VanDerWaalsContact CG-CD1 3.43Å; M347-I408 HydrophobicContact CG-CG1 4.15Å |
| 348 | Q | 92.1 | Very high | 93 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -47.5 | 176 | -175 | -179.1 | -4.1 | 0 | 0 | 111.6 | H346 C351 Q352 | H346-Q348 VanDerWaalsContact C-N 3.32Å; H346-Q348 PolarHBondContact O-N 3.37Å; Q348-C351 PolarHBondContact O-N 3.19Å; Q348-Q352 WeakPolarHBondContact O-CG 3.45Å; Q348-Q352 PolarHBondContact O-N 3.42Å |
| 349 | T | 93.6 | Very high | 92.9 | Very high | 53 Ų | 53 | 40 Ų | 40 | 33% | 0.325 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 176.9 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | H346 Q352 E353 | H346-T349 PolarHBondContact O-N 2.87Å; H346-T349 VanDerWaalsContact O-N 3.13Å; T349-Q352 PolarHBondContact O-N 3.26Å; T349-E353 HydrophobicContact CG2-CB 4.31Å; T349-E353 HydrophobicContact CG2-CG 4.28Å; T349-E353 WeakPolarHBondContact O-CB 3.43Å; T349-E353 PolarHBondContact O-N 3.46Å |
| 350 | I | 94.8 | Very high | 92.9 | Very high | 8 Ų | 8 | 40.8 Ų | 40.8 | 4% | 0.041 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 176 | -67 | 164.6 | 0 | 0 | 0 | 110.2 | L306 V309 H346 M347 V354 I355 | L306-I350 HydrophobicContact CD2-CD1 3.61Å; V309-I350 HydrophobicContact CG1-CG1 4.36Å; H346-I350 HydrophobicContact CB-CD1 3.92Å; H346-I350 HydrophobicContact CB-CG1 4.47Å; H346-I350 VanDerWaalsContact O-CG1 3.29Å; H346-I350 WeakPolarHBondContact O-CG1 3.36Å; H346-I350 PolarHBondContact O-N 2.88Å; M347-I350 HydrophobicContact CE-CB 4.02Å; M347-I350 HydrophobicContact CE-CG2 3.76Å; M347-I350 PolarHBondContact O-N 3.49Å; I350-V354 WeakPolarHBondContact O-CA 3.42Å; I350-V354 WeakPolarHBondContact O-CB 3.38Å; I350-V354 PolarHBondContact O-N 3.21Å; I350-V354 VanDerWaalsContact O-N 3.17Å; I350-I355 HydrophobicContact CG2-CD1 3.95Å; I350-I355 HydrophobicContact CG2-CG1 4.02Å; I350-I355 PolarHBondContact O-N 3.37Å |
| 351 | C | 94.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 5% | 0.047 | 21% | 0.207 | C | C | . | . | I | π-helix | trans | -59.7 | -48.2 | 176.9 | -74.6 | 0 | 0 | 0 | 0 | 112.4 | M347 Q348 F356 M412 | M347-C351 WeakPolarHBondContact CE-SG 3.4Å; M347-C351 WeakPolarHBondContact O-CB 3.42Å; M347-C351 PolarHBondContact O-N 3.47Å; M347-C351 PolarHBondContact O-SG 3.28Å; Q348-C351 PolarHBondContact O-N 3.19Å; C351-F356 VanDerWaalsContact O-CB 3.29Å; C351-F356 WeakPolarHBondContact O-CB 3.46Å; C351-F356 PolarHBondContact O-N 3.3Å; C351-M412 HydrophobicContact CB-CE 3.88Å |
| 352 | Q | 94.2 | Very high | 92.6 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -85.4 | -35.8 | -169.6 | -66.5 | -179 | -1.5 | 0 | 0 | 114.1 | Q348 T349 F415 | Q348-Q352 WeakPolarHBondContact O-CG 3.45Å; Q348-Q352 PolarHBondContact O-N 3.42Å; T349-Q352 PolarHBondContact O-N 3.26Å; Q352-F415 HydrophobicContact CB-CE1 4.5Å; Q352-F415 HydrophobicContact CB-CE2 4.24Å; Q352-F415 HydrophobicContact CB-CZ 4.17Å; Q352-F415 HydrophobicContact CG-CD1 4.2Å; Q352-F415 HydrophobicContact CG-CD2 3.89Å; Q352-F415 HydrophobicContact CG-CE1 4.28Å; Q352-F415 HydrophobicContact CG-CE2 4Å; Q352-F415 HydrophobicContact CG-CG 3.99Å; Q352-F415 HydrophobicContact CG-CZ 4.19Å |
| 353 | E | 93.8 | Very high | 92.5 | Very high | 90 Ų | 90 | 40.2 Ų | 40.2 | 42% | 0.421 | 21% | 0.206 | S | C | . | . | I | π-helix | trans | -109 | -7.4 | -172.1 | -60 | -177.2 | -158.5 | 0 | 0 | 113.5 | R313 T349 | R313-E353 VanDerWaalsContact CD-OE2 3.27Å; R313-E353 WeakPolarHBondContact CD-OE2 3.42Å; R313-E353 HydrophobicContact CG-CB 3.96Å; R313-E353 IonicContact CZ-OE2 3.48Å; R313-E353 IonicContact NE-OE2 3.79Å; R313-E353 IonicContact NH1-OE2 2.74Å; R313-E353 PolarHBondContact NH1-OE2 3.11Å; T349-E353 HydrophobicContact CG2-CB 4.31Å; T349-E353 HydrophobicContact CG2-CG 4.28Å; T349-E353 WeakPolarHBondContact O-CB 3.43Å; T349-E353 PolarHBondContact O-N 3.46Å |
| 354 | V | 94 | Very high | 92.2 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -124 | -60.8 | 179.2 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | V309 R313 F327 I350 P357 L358 | V309-V354 HydrophobicContact CG1-CB 4.43Å; V309-V354 HydrophobicContact CG1-CG1 4.04Å; V309-V354 HydrophobicContact CG1-CG2 3.94Å; R313-V354 HydrophobicContact CB-CG2 3.9Å; R313-V354 HydrophobicContact CG-CG2 4.02Å; F327-V354 HydrophobicContact CE1-CG1 4.01Å; F327-V354 HydrophobicContact CZ-CG1 3.66Å; I350-V354 WeakPolarHBondContact O-CA 3.42Å; I350-V354 WeakPolarHBondContact O-CB 3.38Å; I350-V354 PolarHBondContact O-N 3.21Å; I350-V354 VanDerWaalsContact O-N 3.17Å; V354-P357 WeakPolarHBondContact O-CD 3.43Å; V354-L358 HydrophobicContact CG1-CD1 4.36Å; V354-L358 WeakPolarHBondContact O-CD1 3.36Å; V354-L358 VanDerWaalsContact O-CG 3.28Å; V354-L358 WeakPolarHBondContact O-CG 2.99Å; V354-L358 PolarHBondContact O-N 2.87Å |
| 355 | I | 94.7 | Very high | 92 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.231 | C | C | . | . | I | π-helix | trans | -64.3 | -51.4 | -178.2 | -62.7 | 177.8 | 0 | 0 | 0 | 109.7 | M347 I350 L358 M359 A394 L397 L398 | M347-I355 HydrophobicContact CE-CD1 3.98Å; I350-I355 HydrophobicContact CG2-CD1 3.95Å; I350-I355 HydrophobicContact CG2-CG1 4.02Å; I350-I355 PolarHBondContact O-N 3.37Å; I355-L358 WeakPolarHBondContact O-CB 3.44Å; I355-L358 PolarHBondContact O-N 3.13Å; I355-M359 HydrophobicContact CG2-CG 4.2Å; I355-M359 VanDerWaalsContact O-CG 3.3Å; I355-M359 WeakPolarHBondContact O-CG 3.4Å; I355-M359 PolarHBondContact O-N 3.26Å; I355-M359 VanDerWaalsContact O-N 3.11Å; I355-A394 HydrophobicContact CB-CB 4.39Å; I355-A394 HydrophobicContact CG1-CB 4.1Å; I355-A394 HydrophobicContact CG2-CB 4.08Å; I355-L397 HydrophobicContact CD1-CD2 4.09Å; I355-L397 HydrophobicContact CD1-CG 4.34Å; I355-L398 HydrophobicContact CD1-CB 4.34Å; I355-L398 HydrophobicContact CG2-CB 4.26Å; I355-L398 HydrophobicContact CG2-CD2 4.32Å |
| 356 | F | 95.1 | Very high | 91.9 | Very high | 13 Ų | 13 | 43.5 Ų | 43.5 | 6% | 0.057 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.4 | -47.6 | -176.3 | 176 | -95.6 | 0 | 0 | 0 | 113.9 | C351 L358 M359 C360 F415 I419 S429 A433 | C351-F356 VanDerWaalsContact O-CB 3.29Å; C351-F356 WeakPolarHBondContact O-CB 3.46Å; C351-F356 PolarHBondContact O-N 3.3Å; F356-L358 VanDerWaalsContact C-N 3.27Å; F356-L358 PolarHBondContact O-N 2.76Å; F356-M359 PolarHBondContact O-N 2.71Å; F356-C360 PolarHBondContact O-N 3.23Å; F356-C360 PolarHBondContact O-SG 2.98Å; F356-F415 HydrophobicContact CB-CE1 4.13Å; F356-F415 AromaticContact CD1-CE1 3.89Å; F356-F415 HydrophobicContact CD1-CE1 3.89Å; F356-F415 HydrophobicContact CD1-CZ 4.15Å; F356-F415 HydrophobicContact CD2-CD1 4.39Å; F356-F415 AromaticContact CD2-CE1 3.68Å; F356-F415 HydrophobicContact CD2-CE1 3.68Å; F356-F415 HydrophobicContact CE1-CE1 4.19Å; F356-F415 HydrophobicContact CE1-CZ 4.35Å; F356-F415 AromaticContact CE2-CE1 3.95Å; F356-F415 HydrophobicContact CE2-CE1 3.95Å; F356-F415 AromaticContact CG-CE1 3.63Å; F356-F415 HydrophobicContact CG-CE1 3.63Å; F356-F415 HydrophobicContact CG-CZ 4.31Å; F356-F415 HydrophobicContact CZ-CE1 4.21Å; F356-I419 HydrophobicContact CE1-CD1 3.94Å; F356-I419 HydrophobicContact CE2-CD1 3.72Å; F356-I419 HydrophobicContact CZ-CD1 3.33Å; F356-S429 WeakPolarHBondContact CZ-O 3.48Å; F356-A433 HydrophobicContact CE2-CB 4.2Å |
| 357 | P | 93.6 | Very high | 91.7 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 40% | 0.396 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -59 | -34.1 | 173.3 | -27.7 | 36.5 | 0 | 0 | 0 | 114.2 | V354 M359 C360 | V354-P357 WeakPolarHBondContact O-CD 3.43Å; P357-M359 PolarHBondContact O-N 3.18Å; P357-C360 PolarHBondContact O-N 3.14Å |
| 358 | L | 91.1 | Very high | 91.5 | Very high | 12 Ų | 12 | 47.9 Ų | 47.9 | 6% | 0.063 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -68.8 | -24.8 | 175.6 | -68.9 | 170.1 | 0 | 0 | 0 | 112.7 | L323 F327 V354 I355 F356 R362 P390 A394 | L323-L358 HydrophobicContact CD2-CD1 4.23Å; L323-L358 HydrophobicContact CD2-CD2 4.45Å; F327-L358 HydrophobicContact CE2-CD1 3.5Å; F327-L358 VanDerWaalsContact CE2-CD1 3.5Å; F327-L358 HydrophobicContact CZ-CD1 3.69Å; V354-L358 HydrophobicContact CG1-CD1 4.36Å; V354-L358 WeakPolarHBondContact O-CD1 3.36Å; V354-L358 VanDerWaalsContact O-CG 3.28Å; V354-L358 WeakPolarHBondContact O-CG 2.99Å; V354-L358 PolarHBondContact O-N 2.87Å; I355-L358 WeakPolarHBondContact O-CB 3.44Å; I355-L358 PolarHBondContact O-N 3.13Å; F356-L358 VanDerWaalsContact C-N 3.27Å; F356-L358 PolarHBondContact O-N 2.76Å; L358-R362 VanDerWaalsContact CA-NH2 3.34Å; L358-R362 PolarHBondContact O-NH2 3.22Å; L358-P390 HydrophobicContact CD1-CB 4.46Å; L358-P390 HydrophobicContact CD2-CB 4.48Å; L358-A394 HydrophobicContact CD1-CB 4.05Å |
| 359 | M | 90.3 | Very high | 91.5 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.015 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -87.4 | -12.9 | 178.1 | -60.8 | -64.3 | -80 | 0 | 0 | 113 | I355 F356 P357 Q395 H435 A439 | I355-M359 HydrophobicContact CG2-CG 4.2Å; I355-M359 VanDerWaalsContact O-CG 3.3Å; I355-M359 WeakPolarHBondContact O-CG 3.4Å; I355-M359 PolarHBondContact O-N 3.26Å; I355-M359 VanDerWaalsContact O-N 3.11Å; F356-M359 PolarHBondContact O-N 2.71Å; P357-M359 PolarHBondContact O-N 3.18Å; M359-Q395 HydrophobicContact CE-CB 3.83Å; M359-Q395 HydrophobicContact CE-CG 3.89Å; M359-Q395 HydrophobicContact SD-CB 4.01Å; M359-H435 HydrophobicContact CB-CB 4.41Å; M359-H435 HydrophobicContact CE-CB 4.44Å; M359-H435 WeakPolarHBondContact CE-CD2 3.43Å; M359-H435 VanDerWaalsContact CE-CE1 3.42Å; M359-H435 WeakPolarHBondContact CE-CE1 3.33Å; M359-H435 VanDerWaalsContact CE-NE2 3.29Å; M359-H435 WeakPolarHBondContact CE-NE2 3.45Å; M359-H435 PolarHBondContact O-ND1 3.01Å; M359-A439 HydrophobicContact CE-CB 4.38Å |
| 360 | C | 92.8 | Very high | 91.3 | Very high | 16 Ų | 16 | 47.4 Ų | 47.4 | 11% | 0.108 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -79.7 | 147.9 | 177.2 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | F356 P357 R362 | F356-C360 PolarHBondContact O-N 3.23Å; F356-C360 PolarHBondContact O-SG 2.98Å; P357-C360 PolarHBondContact O-N 3.14Å; C360-R362 VanDerWaalsContact O-CG 3.26Å; C360-R362 WeakPolarHBondContact O-CG 3.46Å; C360-R362 PolarHBondContact O-N 3.14Å |
| 361 | Y | 89.9 | Confident | 91.2 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.027 | 26% | 0.259 | C | S | . | . | trans | -54.3 | 129 | 167.1 | -164.2 | -103.3 | 0 | 0 | 0 | 112.9 | D365 E366 W369 Y376 R428 D431 Y472 | Y361-D365 HydrophobicContact CD2-CB 3.67Å; Y361-D365 HydrophobicContact CE1-CB 4.29Å; Y361-D365 HydrophobicContact CE2-CB 3.38Å; Y361-D365 HydrophobicContact CG-CB 4.25Å; Y361-D365 PolarHBondContact OH-O 3.2Å; Y361-E366 HydrophobicContact CE1-CB 3.79Å; Y361-E366 WeakPolarHBondContact CE1-OE2 3.44Å; Y361-E366 VanDerWaalsContact OH-CA 3.24Å; Y361-E366 WeakPolarHBondContact OH-CA 3.15Å; Y361-E366 PolarHBondContact OH-N 2.94Å; Y361-W369 HydrophobicContact CE2-CE3 4.42Å; Y361-W369 WeakPolarHBondContact OH-CB 3.18Å; Y361-Y376 HydrophobicContact CE2-CE2 4.43Å; Y361-R428 WeakPolarHBondContact O-CD 3.36Å; Y361-D431 WeakPolarHBondContact CB-OD2 3.41Å; Y361-D431 PolarHBondContact N-OD2 2.83Å; Y361-Y472 HydrophobicContact CD1-CD1 4.17Å; Y361-Y472 HydrophobicContact CD1-CD2 4.12Å; Y361-Y472 HydrophobicContact CD1-CE1 4.31Å; Y361-Y472 HydrophobicContact CD1-CE2 4.26Å; Y361-Y472 HydrophobicContact CD1-CG 4.08Å; Y361-Y472 HydrophobicContact CD2-CD2 4.1Å; Y361-Y472 HydrophobicContact CD2-CG 4.06Å; Y361-Y472 AromaticContact CE1-CD1 3.9Å; Y361-Y472 HydrophobicContact CE1-CD1 3.9Å; Y361-Y472 HydrophobicContact CE1-CE1 4.28Å; Y361-Y472 HydrophobicContact CE1-CG 4.06Å; Y361-Y472 HydrophobicContact CE2-CG 4.05Å; Y361-Y472 AromaticContact CG-CD2 3.86Å; Y361-Y472 HydrophobicContact CG-CD2 3.86Å; Y361-Y472 HydrophobicContact CG-CE2 4.25Å; Y361-Y472 HydrophobicContact CG-CG 4.06Å | ||
| 362 | R | 88.6 | Confident | 91 | Very high | 77 Ų | 77 | 57.6 Ų | 57.6 | 29% | 0.291 | 27% | 0.274 | S | S | . | . | trans | -112.7 | 171.6 | -172.8 | -50.7 | -173.3 | -160.6 | 165.9 | 12.7 | 112.6 | L358 C360 E364 D365 E366 | L358-R362 VanDerWaalsContact CA-NH2 3.34Å; L358-R362 PolarHBondContact O-NH2 3.22Å; C360-R362 VanDerWaalsContact O-CG 3.26Å; C360-R362 WeakPolarHBondContact O-CG 3.46Å; C360-R362 PolarHBondContact O-N 3.14Å; R362-E364 PolarHBondContact O-N 3.29Å; R362-D365 PolarHBondContact N-OD2 3.25Å; R362-D365 PolarHBondContact O-N 2.91Å; R362-E366 PolarHBondContact O-N 3.21Å | ||
| 363 | D | 88.3 | Confident | 90.8 | Very high | 100 Ų | 100 | 56.8 Ų | 56.8 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -67.2 | -24.4 | 175.3 | -64.2 | -40 | 0 | 0 | 0 | 113 | R367 R428 | D363-R367 WeakPolarHBondContact O-CG 3.26Å; D363-R367 PolarHBondContact O-N 3.08Å; D363-R367 VanDerWaalsContact O-N 3.13Å; D363-R367 PolarHBondContact O-NE 3.35Å; D363-R428 IonicContact OD1-CZ 3.6Å; D363-R428 IonicContact OD1-NH1 3.88Å; D363-R428 PolarHBondContact OD1-NH1 3.27Å; D363-R428 IonicContact OD1-NH2 3.8Å; D363-R428 PolarHBondContact OD1-NH2 3.3Å; D363-R428 IonicContact OD2-NH1 3.55Å |
| 364 | E | 84.5 | Confident | 90.5 | Very high | 118 Ų | 118 | 56.3 Ų | 56.3 | 55% | 0.551 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.7 | -46.1 | 170.2 | -73 | 161.5 | -166.8 | 0 | 0 | 110.9 | R362 E366 R367 L368 | R362-E364 PolarHBondContact O-N 3.29Å; E364-E366 PolarHBondContact O-N 3.22Å; E364-R367 VanDerWaalsContact CG-NH2 3.29Å; E364-R367 PolarHBondContact O-N 3.4Å; E364-L368 PolarHBondContact O-N 3.4Å |
| 365 | D | 88.3 | Confident | 90 | Very high | 49 Ų | 49 | 59.6 Ų | 59.6 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 177.6 | -53.6 | -46.9 | 0 | 0 | 0 | 111.7 | Y361 R362 L368 W369 Y376 | Y361-D365 HydrophobicContact CD2-CB 3.67Å; Y361-D365 HydrophobicContact CE1-CB 4.29Å; Y361-D365 HydrophobicContact CE2-CB 3.38Å; Y361-D365 HydrophobicContact CG-CB 4.25Å; Y361-D365 PolarHBondContact OH-O 3.2Å; R362-D365 PolarHBondContact N-OD2 3.25Å; R362-D365 PolarHBondContact O-N 2.91Å; D365-L368 PolarHBondContact O-N 3.19Å; D365-W369 WeakPolarHBondContact O-CB 3.19Å; D365-W369 PolarHBondContact O-N 3.43Å; D365-Y376 HydrophobicContact CB-CE2 4.23Å |
| 366 | E | 90.4 | Very high | 89.6 | Confident | 56 Ų | 56 | 60.7 Ų | 60.7 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.1 | -175.6 | 73.3 | -136.3 | 0 | 0 | 111.7 | Y361 R362 E364 L368 W369 Q370 | Y361-E366 HydrophobicContact CE1-CB 3.79Å; Y361-E366 WeakPolarHBondContact CE1-OE2 3.44Å; Y361-E366 VanDerWaalsContact OH-CA 3.24Å; Y361-E366 WeakPolarHBondContact OH-CA 3.15Å; Y361-E366 PolarHBondContact OH-N 2.94Å; R362-E366 PolarHBondContact O-N 3.21Å; E364-E366 PolarHBondContact O-N 3.22Å; E366-L368 PolarHBondContact O-N 2.99Å; E366-W369 PolarHBondContact O-N 2.99Å; E366-Q370 HydrophobicContact CG-CG 4.46Å; E366-Q370 VanDerWaalsContact O-CG 3.26Å; E366-Q370 WeakPolarHBondContact O-CG 3.32Å; E366-Q370 PolarHBondContact O-N 3.45Å; E366-Q370 WeakPolarHBondContact OE1-CG 3.47Å; E366-Q370 PolarHBondContact OE1-NE2 3.24Å |
| 367 | R | 89.1 | Confident | 89.1 | Confident | 142 Ų | 142 | 60.1 Ų | 60.1 | 54% | 0.536 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.8 | -49.3 | 177.3 | -79 | -176.5 | -70.3 | 156.3 | -4.6 | 110.6 | D363 E364 W369 Q370 E371 | D363-R367 WeakPolarHBondContact O-CG 3.26Å; D363-R367 PolarHBondContact O-N 3.08Å; D363-R367 VanDerWaalsContact O-N 3.13Å; D363-R367 PolarHBondContact O-NE 3.35Å; E364-R367 VanDerWaalsContact CG-NH2 3.29Å; E364-R367 PolarHBondContact O-N 3.4Å; R367-W369 PolarHBondContact O-N 3.3Å; R367-Q370 PolarHBondContact O-N 3.3Å; R367-E371 VanDerWaalsContact O-CB 3.29Å; R367-E371 WeakPolarHBondContact O-CB 3.48Å; R367-E371 WeakPolarHBondContact O-CG 3.49Å; R367-E371 PolarHBondContact O-N 3.27Å |
| 368 | L | 88.2 | Confident | 88.5 | Confident | 42 Ų | 42 | 61.2 Ų | 61.2 | 22% | 0.22 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 179.5 | -167.9 | 62.8 | 0 | 0 | 0 | 111.5 | E364 D365 E366 Q370 E371 D372 E375 Y376 M379 | E364-L368 PolarHBondContact O-N 3.4Å; D365-L368 PolarHBondContact O-N 3.19Å; E366-L368 PolarHBondContact O-N 2.99Å; L368-Q370 VanDerWaalsContact C-N 3.29Å; L368-Q370 PolarHBondContact O-N 3.03Å; L368-E371 PolarHBondContact O-N 3.03Å; L368-D372 HydrophobicContact CD1-CB 4.49Å; L368-D372 CarbonylContact O-C 3.39Å; L368-D372 WeakPolarHBondContact O-CA 3.31Å; L368-D372 PolarHBondContact O-N 3.35Å; L368-E375 HydrophobicContact CD1-CB 4.02Å; L368-E375 HydrophobicContact CD1-CG 3.94Å; L368-Y376 HydrophobicContact CD2-CD2 4.23Å; L368-M379 HydrophobicContact CD2-CG 4.38Å; L368-M379 HydrophobicContact CD2-SD 3.5Å; L368-M379 VanDerWaalsContact CD2-SD 3.5Å |
| 369 | W | 91.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 65.3 Ų | 65.3 | 5% | 0.045 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.4 | -36.9 | 177.9 | -172.3 | -74.1 | 0 | 0 | 0 | 113.4 | Y361 D365 E366 R367 Y376 A475 E511 P513 V514 | Y361-W369 HydrophobicContact CE2-CE3 4.42Å; Y361-W369 WeakPolarHBondContact OH-CB 3.18Å; D365-W369 WeakPolarHBondContact O-CB 3.19Å; D365-W369 PolarHBondContact O-N 3.43Å; E366-W369 PolarHBondContact O-N 2.99Å; R367-W369 PolarHBondContact O-N 3.3Å; W369-Y376 AromaticContact CE3-CD1 3.65Å; W369-Y376 HydrophobicContact CE3-CD1 3.65Å; W369-Y376 HydrophobicContact CE3-CD2 4.18Å; W369-Y376 AromaticContact CE3-CE1 3.44Å; W369-Y376 HydrophobicContact CE3-CE1 3.44Å; W369-Y376 VanDerWaalsContact CE3-CE1 3.44Å; W369-Y376 AromaticContact CE3-CE2 3.99Å; W369-Y376 HydrophobicContact CE3-CE2 3.99Å; W369-Y376 HydrophobicContact CE3-CG 4.03Å; W369-Y376 AromaticContact CE3-CZ 3.62Å; W369-Y376 AromaticContact CZ3-CD1 3.89Å; W369-Y376 HydrophobicContact CZ3-CD1 3.89Å; W369-Y376 AromaticContact CZ3-CE1 3.35Å; W369-Y376 HydrophobicContact CZ3-CE1 3.35Å; W369-Y376 AromaticContact CZ3-CZ 3.74Å; W369-A475 HydrophobicContact CH2-CB 3.88Å; W369-A475 HydrophobicContact CZ3-CB 4.48Å; W369-E511 HydrophobicContact CZ2-CB 4.37Å; W369-E511 PolarHBondContact NE1-OE1 3.39Å; W369-P513 HydrophobicContact CD2-CG 4.31Å; W369-P513 HydrophobicContact CE3-CB 4.24Å; W369-P513 HydrophobicContact CE3-CG 4.13Å; W369-P513 HydrophobicContact CH2-CB 3.46Å; W369-P513 VanDerWaalsContact CH2-CB 3.46Å; W369-P513 HydrophobicContact CH2-CG 3.89Å; W369-P513 HydrophobicContact CZ2-CB 4.05Å; W369-P513 HydrophobicContact CZ2-CG 4.03Å; W369-P513 HydrophobicContact CZ3-CB 3.56Å; W369-P513 HydrophobicContact CZ3-CG 3.93Å; W369-V514 HydrophobicContact CH2-CG2 4.34Å; W369-V514 HydrophobicContact CZ2-CG2 4.23Å |
| 370 | Q | 90.9 | Very high | 87.2 | Confident | 127 Ų | 127 | 68 Ų | 68 | 59% | 0.593 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -85 | -37.7 | -179.5 | -63.5 | -65.3 | -20.8 | 0 | 0 | 113.3 | E366 R367 L368 | E366-Q370 HydrophobicContact CG-CG 4.46Å; E366-Q370 VanDerWaalsContact O-CG 3.26Å; E366-Q370 WeakPolarHBondContact O-CG 3.32Å; E366-Q370 PolarHBondContact O-N 3.45Å; E366-Q370 WeakPolarHBondContact OE1-CG 3.47Å; E366-Q370 PolarHBondContact OE1-NE2 3.24Å; R367-Q370 PolarHBondContact O-N 3.3Å; L368-Q370 VanDerWaalsContact C-N 3.29Å; L368-Q370 PolarHBondContact O-N 3.03Å |
| 371 | E | 92.2 | Very high | 86.1 | Confident | 160 Ų | 160 | 69.4 Ų | 69.4 | 75% | 0.748 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -83.7 | -43.9 | -175.7 | -67.6 | 177.7 | -177.6 | 0 | 0 | 112 | R367 L368 | R367-E371 VanDerWaalsContact O-CB 3.29Å; R367-E371 WeakPolarHBondContact O-CB 3.48Å; R367-E371 WeakPolarHBondContact O-CG 3.49Å; R367-E371 PolarHBondContact O-N 3.27Å; L368-E371 PolarHBondContact O-N 3.03Å |
| 372 | D | 90.3 | Very high | 84.8 | Confident | 68 Ų | 68 | 71 Ų | 71 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | trans | -149 | 84.1 | -179.1 | -164.6 | -21.2 | 0 | 0 | 0 | 112 | L368 Y374 E375 Y376 | L368-D372 HydrophobicContact CD1-CB 4.49Å; L368-D372 CarbonylContact O-C 3.39Å; L368-D372 WeakPolarHBondContact O-CA 3.31Å; L368-D372 PolarHBondContact O-N 3.35Å; D372-Y374 PolarHBondContact O-N 2.96Å; D372-Y374 PolarHBondContact OD1-N 3.46Å; D372-E375 HydrophobicContact CB-CB 4.01Å; D372-E375 PolarHBondContact O-N 3.16Å; D372-E375 PolarHBondContact OD1-N 2.68Å; D372-Y376 PolarHBondContact O-N 3.42Å; D372-Y376 VanDerWaalsContact O-N 3.1Å | ||
| 373 | P | 88.7 | Confident | 83 | Confident | 36 Ų | 36 | 73.1 Ų | 73.1 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.9 | -19.2 | -179.9 | 26.5 | -34.8 | 0 | 0 | 0 | 113.4 | I377 P513 | P373-I377 WeakPolarHBondContact O-CD1 3.46Å; P373-I377 VanDerWaalsContact O-CG1 3.32Å; P373-I377 WeakPolarHBondContact O-CG1 3.46Å; P373-I377 PolarHBondContact O-N 2.95Å; P373-P513 HydrophobicContact CB-CG 4.08Å |
| 374 | Y | 87.3 | Confident | 81.2 | Confident | 81 Ų | 81 | 77.4 Ų | 77.4 | 32% | 0.318 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -76.7 | -42.1 | 177.7 | -61 | -80.5 | 0 | 0 | 0 | 110.4 | D372 Y376 I377 R378 M512 E553 T554 | D372-Y374 PolarHBondContact O-N 2.96Å; D372-Y374 PolarHBondContact OD1-N 3.46Å; Y374-Y376 VanDerWaalsContact C-N 3.3Å; Y374-Y376 PolarHBondContact O-N 3.07Å; Y374-I377 WeakPolarHBondContact O-CB 3.49Å; Y374-I377 PolarHBondContact O-N 3.22Å; Y374-R378 WeakPolarHBondContact O-CG 3.4Å; Y374-R378 PolarHBondContact O-N 3.19Å; Y374-M512 HydrophobicContact CE1-CE 4.48Å; Y374-M512 HydrophobicContact CE1-CG 4.16Å; Y374-E553 WeakPolarHBondContact CD1-O 3.39Å; Y374-E553 HydrophobicContact CE1-CB 4.04Å; Y374-E553 WeakPolarHBondContact CE1-O 3.4Å; Y374-E553 PolarHBondContact OH-OE2 2.76Å; Y374-T554 HydrophobicContact CD1-CG2 4.37Å; Y374-T554 HydrophobicContact CE1-CG2 4.45Å |
| 375 | E | 83.6 | Confident | 79.6 | Confident | 72 Ų | 72 | 75.9 Ų | 75.9 | 34% | 0.336 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 171.4 | -172.7 | 61.6 | -168.7 | 0 | 0 | 111.7 | L368 D372 I377 R378 M379 | L368-E375 HydrophobicContact CD1-CB 4.02Å; L368-E375 HydrophobicContact CD1-CG 3.94Å; D372-E375 HydrophobicContact CB-CB 4.01Å; D372-E375 PolarHBondContact O-N 3.16Å; D372-E375 PolarHBondContact OD1-N 2.68Å; E375-I377 VanDerWaalsContact C-N 3.31Å; E375-I377 PolarHBondContact O-N 3.09Å; E375-R378 PolarHBondContact O-N 3.13Å; E375-M379 HydrophobicContact CG-CG 4.32Å; E375-M379 HydrophobicContact CG-SD 4.49Å; E375-M379 WeakPolarHBondContact O-CB 3.31Å; E375-M379 WeakPolarHBondContact O-CG 3.41Å; E375-M379 PolarHBondContact O-N 3.17Å |
| 376 | Y | 86.8 | Confident | 78 | Confident | 22 Ų | 22 | 76.4 Ų | 76.4 | 9% | 0.086 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 171 | 178.9 | -90 | 0 | 0 | 0 | 112.4 | Y361 D365 L368 W369 D372 Y374 K380 P513 | Y361-Y376 HydrophobicContact CE2-CE2 4.43Å; D365-Y376 HydrophobicContact CB-CE2 4.23Å; L368-Y376 HydrophobicContact CD2-CD2 4.23Å; W369-Y376 AromaticContact CE3-CD1 3.65Å; W369-Y376 HydrophobicContact CE3-CD1 3.65Å; W369-Y376 HydrophobicContact CE3-CD2 4.18Å; W369-Y376 AromaticContact CE3-CE1 3.44Å; W369-Y376 HydrophobicContact CE3-CE1 3.44Å; W369-Y376 VanDerWaalsContact CE3-CE1 3.44Å; W369-Y376 AromaticContact CE3-CE2 3.99Å; W369-Y376 HydrophobicContact CE3-CE2 3.99Å; W369-Y376 HydrophobicContact CE3-CG 4.03Å; W369-Y376 AromaticContact CE3-CZ 3.62Å; W369-Y376 AromaticContact CZ3-CD1 3.89Å; W369-Y376 HydrophobicContact CZ3-CD1 3.89Å; W369-Y376 AromaticContact CZ3-CE1 3.35Å; W369-Y376 HydrophobicContact CZ3-CE1 3.35Å; W369-Y376 AromaticContact CZ3-CZ 3.74Å; D372-Y376 PolarHBondContact O-N 3.42Å; D372-Y376 VanDerWaalsContact O-N 3.1Å; Y374-Y376 VanDerWaalsContact C-N 3.3Å; Y374-Y376 PolarHBondContact O-N 3.07Å; Y376-K380 HydrophobicContact CE1-CD 4.02Å; Y376-K380 VanDerWaalsContact O-CB 3.3Å; Y376-K380 WeakPolarHBondContact O-CB 3.32Å; Y376-K380 PolarHBondContact O-N 3.29Å; Y376-K380 VanDerWaalsContact O-N 3.12Å; Y376-P513 HydrophobicContact CD1-CB 4.04Å; Y376-P513 HydrophobicContact CD1-CG 4.07Å; Y376-P513 HydrophobicContact CE1-CB 4.21Å |
| 377 | I | 85.6 | Confident | 76.1 | Confident | 1 Ų | 1 | 80.5 Ų | 80.5 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.8 | -50.3 | 176.7 | -67.4 | 160.1 | 0 | 0 | 0 | 109.4 | P373 Y374 E375 M379 K380 F381 M512 P513 V516 T554 N556 | P373-I377 WeakPolarHBondContact O-CD1 3.46Å; P373-I377 VanDerWaalsContact O-CG1 3.32Å; P373-I377 WeakPolarHBondContact O-CG1 3.46Å; P373-I377 PolarHBondContact O-N 2.95Å; Y374-I377 WeakPolarHBondContact O-CB 3.49Å; Y374-I377 PolarHBondContact O-N 3.22Å; E375-I377 VanDerWaalsContact C-N 3.31Å; E375-I377 PolarHBondContact O-N 3.09Å; I377-M379 PolarHBondContact O-N 2.81Å; I377-K380 PolarHBondContact O-N 3.37Å; I377-K380 VanDerWaalsContact O-N 3.13Å; I377-F381 HydrophobicContact CG2-CD2 3.8Å; I377-F381 HydrophobicContact CG2-CE2 4.18Å; I377-F381 VanDerWaalsContact O-CD2 3.28Å; I377-F381 WeakPolarHBondContact O-CD2 3.28Å; I377-F381 PolarHBondContact O-N 2.86Å; I377-M512 HydrophobicContact CD1-CB 4.15Å; I377-M512 HydrophobicContact CD1-CG 3.89Å; I377-P513 HydrophobicContact CD1-CB 4.31Å; I377-P513 HydrophobicContact CD1-CG 4.06Å; I377-P513 HydrophobicContact CG1-CB 3.96Å; I377-P513 HydrophobicContact CG1-CG 3.97Å; I377-V516 HydrophobicContact CD1-CG2 3.91Å; I377-V516 HydrophobicContact CG1-CG2 4.42Å; I377-V516 HydrophobicContact CG2-CG2 4.33Å; I377-T554 HydrophobicContact CD1-CG2 3.77Å; I377-N556 HydrophobicContact CG2-CB 4.37Å |
| 378 | R | 80.5 | Confident | 74.7 | Confident | 85 Ų | 85 | 75.8 Ų | 75.8 | 32% | 0.321 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -56.3 | -50.2 | -179.9 | -72 | 177.3 | 175.3 | 178.9 | -2.5 | 112.1 | Y374 E375 K380 F381 N382 E555 | Y374-R378 WeakPolarHBondContact O-CG 3.4Å; Y374-R378 PolarHBondContact O-N 3.19Å; E375-R378 PolarHBondContact O-N 3.13Å; R378-K380 VanDerWaalsContact C-N 3.28Å; R378-K380 PolarHBondContact O-N 3.07Å; R378-F381 PolarHBondContact O-N 2.89Å; R378-N382 VanDerWaalsContact O-CB 3.27Å; R378-N382 WeakPolarHBondContact O-CB 3.44Å; R378-N382 PolarHBondContact O-N 3.47Å; R378-E555 IonicContact NH2-OE2 3.56Å; R378-E555 PolarHBondContact NH2-OE2 3.21Å |
| 379 | M | 78.4 | Confident | 74.2 | Confident | 97 Ų | 97 | 77.3 Ų | 77.3 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.9 | -35.7 | 178.3 | -71.1 | -168.6 | 75 | 0 | 0 | 113 | L368 E375 I377 | L368-M379 HydrophobicContact CD2-CG 4.38Å; L368-M379 HydrophobicContact CD2-SD 3.5Å; L368-M379 VanDerWaalsContact CD2-SD 3.5Å; E375-M379 HydrophobicContact CG-CG 4.32Å; E375-M379 HydrophobicContact CG-SD 4.49Å; E375-M379 WeakPolarHBondContact O-CB 3.31Å; E375-M379 WeakPolarHBondContact O-CG 3.41Å; E375-M379 PolarHBondContact O-N 3.17Å; I377-M379 PolarHBondContact O-N 2.81Å |
| 380 | K | 76.1 | Confident | 74 | Confident | 59 Ų | 59 | 77.3 Ų | 77.3 | 26% | 0.257 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.8 | -34.8 | -178.6 | -170.4 | -178.1 | -177.8 | -171 | 0 | 113.2 | Y376 I377 R378 E517 | Y376-K380 HydrophobicContact CE1-CD 4.02Å; Y376-K380 VanDerWaalsContact O-CB 3.3Å; Y376-K380 WeakPolarHBondContact O-CB 3.32Å; Y376-K380 PolarHBondContact O-N 3.29Å; Y376-K380 VanDerWaalsContact O-N 3.12Å; I377-K380 PolarHBondContact O-N 3.37Å; I377-K380 VanDerWaalsContact O-N 3.13Å; R378-K380 VanDerWaalsContact C-N 3.28Å; R378-K380 PolarHBondContact O-N 3.07Å; K380-E517 VanDerWaalsContact CE-OE1 3.31Å; K380-E517 WeakPolarHBondContact CE-OE1 3.36Å; K380-E517 IonicContact NZ-OE1 2.68Å; K380-E517 PolarHBondContact NZ-OE1 2.84Å |
| 381 | F | 68.6 | Low | 73.8 | Confident | 46 Ų | 46 | 72.2 Ų | 72.2 | 20% | 0.202 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -97.6 | -1 | -177.9 | -70.9 | -84.2 | 0 | 0 | 0 | 113.2 | I377 R378 I383 V516 I520 N556 D558 | I377-F381 HydrophobicContact CG2-CD2 3.8Å; I377-F381 HydrophobicContact CG2-CE2 4.18Å; I377-F381 VanDerWaalsContact O-CD2 3.28Å; I377-F381 WeakPolarHBondContact O-CD2 3.28Å; I377-F381 PolarHBondContact O-N 2.86Å; R378-F381 PolarHBondContact O-N 2.89Å; F381-I383 PolarHBondContact O-N 3.06Å; F381-I383 VanDerWaalsContact O-N 3.16Å; F381-V516 HydrophobicContact CD2-CG1 4.48Å; F381-V516 HydrophobicContact CE2-CG1 3.67Å; F381-V516 HydrophobicContact CZ-CG1 3.7Å; F381-I520 HydrophobicContact CE1-CD1 3.5Å; F381-I520 HydrophobicContact CZ-CD1 3.81Å; F381-N556 WeakPolarHBondContact CB-ND2 3.46Å; F381-N556 WeakPolarHBondContact CG-ND2 3.4Å; F381-D558 WeakPolarHBondContact CD1-OD2 3.4Å |
| 382 | N | 63.3 | Low | 73.6 | Confident | 40 Ų | 40 | 66.3 Ų | 66.3 | 21% | 0.214 | 32% | 0.323 | C | S | . | . | trans | -75.6 | 102.5 | 174.8 | -168.1 | -32.1 | 0 | 0 | 0 | 111.7 | R378 Y384 D385 | R378-N382 VanDerWaalsContact O-CB 3.27Å; R378-N382 WeakPolarHBondContact O-CB 3.44Å; R378-N382 PolarHBondContact O-N 3.47Å; N382-Y384 PolarHBondContact O-N 3.18Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.47Å; N382-Y384 PolarHBondContact OD1-N 2.86Å; N382-D385 PolarHBondContact OD1-N 2.81Å | ||
| 383 | I | 51.5 | Low | 73.6 | Confident | 122 Ų | 122 | 63.6 Ų | 63.6 | 63% | 0.626 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.6 | 180 | -56.6 | 172.2 | 0 | 0 | 0 | 111.9 | F381 | F381-I383 PolarHBondContact O-N 3.06Å; F381-I383 VanDerWaalsContact O-N 3.16Å |
| 384 | Y | 49.2 | Very low | 73.7 | Confident | 190 Ų | 190 | 61.9 Ų | 61.9 | 75% | 0.745 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -30.2 | -173.9 | -64.3 | -77.3 | 0 | 0 | 0 | 113.4 | N382 | N382-Y384 PolarHBondContact O-N 3.18Å; N382-Y384 WeakPolarHBondContact OD1-CB 3.47Å; N382-Y384 PolarHBondContact OD1-N 2.86Å |
| 385 | D | 51.1 | Low | 74 | Confident | 86 Ų | 86 | 60.6 Ų | 60.6 | 46% | 0.46 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -13.6 | -179.5 | -126.3 | -6.2 | 0 | 0 | 0 | 113.3 | N382 H387 S388 | N382-D385 PolarHBondContact OD1-N 2.81Å; D385-H387 VanDerWaalsContact C-N 3.28Å; D385-H387 PolarHBondContact O-N 3.26Å; D385-S388 WeakPolarHBondContact O-CB 3.4Å; D385-S388 PolarHBondContact O-N 3.24Å; D385-S388 PolarHBondContact O-OG 3.41Å |
| 386 | D | 53.9 | Low | 74.4 | Confident | 61 Ų | 61 | 60 Ų | 60 | 33% | 0.326 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -64.6 | -29.5 | -173.5 | -132.1 | -7.6 | 0 | 0 | 0 | 113.2 | S388 L389 T392 | D386-S388 PolarHBondContact O-N 3.18Å; D386-L389 PolarHBondContact O-N 3.44Å; D386-T392 HydrophobicContact CB-CG2 4.47Å; D386-T392 VanDerWaalsContact O-CB 3.24Å; D386-T392 WeakPolarHBondContact O-CB 3.48Å; D386-T392 PolarHBondContact O-OG1 2.83Å; D386-T392 PolarHBondContact OD1-OG1 3.22Å |
| 387 | H | 51.8 | Low | 74.8 | Confident | 142 Ų | 142 | 59 Ų | 59 | 66% | 0.657 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -73.8 | -7.6 | 175.2 | -63 | -38 | 0 | 0 | 0 | 114 | R321 Q324 D385 | R321-H387 PolarHBondContact NH1-O 2.89Å; Q324-H387 PolarHBondContact NE2-O 3.04Å; D385-H387 VanDerWaalsContact C-N 3.28Å; D385-H387 PolarHBondContact O-N 3.26Å |
| 388 | S | 59.3 | Low | 75.2 | Confident | 42 Ų | 42 | 58.9 Ų | 58.9 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -93.5 | -23.2 | 178.7 | 87.1 | 0 | 0 | 0 | 0 | 113.1 | D385 D386 | D385-S388 WeakPolarHBondContact O-CB 3.4Å; D385-S388 PolarHBondContact O-N 3.24Å; D385-S388 PolarHBondContact O-OG 3.41Å; D386-S388 PolarHBondContact O-N 3.18Å |
| 389 | L | 78.8 | Confident | 75.8 | Confident | 75 Ų | 75 | 56.1 Ų | 56.1 | 39% | 0.393 | 29% | 0.288 | S | S | . | . | trans | -82.3 | 136 | -170.9 | -65.1 | 175.1 | 0 | 0 | 0 | 113.1 | D386 A391 A393 | D386-L389 PolarHBondContact O-N 3.44Å; L389-A391 VanDerWaalsContact C-N 3.27Å; L389-A391 PolarHBondContact O-N 3.18Å; L389-A393 PolarHBondContact O-N 3.12Å | ||
| 390 | P | 86.3 | Confident | 76.5 | Confident | 12 Ų | 12 | 53.5 Ų | 53.5 | 8% | 0.078 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -32.1 | 173.9 | -22.3 | 32 | 0 | 0 | 0 | 113.6 | A320 L323 F327 L358 A393 A394 | A320-P390 HydrophobicContact CB-CG 3.6Å; A320-P390 WeakPolarHBondContact O-CG 3.38Å; L323-P390 HydrophobicContact CD2-CB 4.02Å; L323-P390 HydrophobicContact CG-CB 4.32Å; F327-P390 HydrophobicContact CE2-CB 4.4Å; L358-P390 HydrophobicContact CD1-CB 4.46Å; L358-P390 HydrophobicContact CD2-CB 4.48Å; P390-A393 PolarHBondContact O-N 2.88Å; P390-A394 VanDerWaalsContact O-CB 3.23Å; P390-A394 WeakPolarHBondContact O-CB 3.43Å; P390-A394 PolarHBondContact O-N 3.21Å |
| 391 | A | 87 | Confident | 77.3 | Confident | 19 Ų | 19 | 50.7 Ų | 50.7 | 16% | 0.157 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -47.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L389 A393 A394 Q395 | L389-A391 VanDerWaalsContact C-N 3.27Å; L389-A391 PolarHBondContact O-N 3.18Å; A391-A393 PolarHBondContact O-N 2.84Å; A391-A394 CarbonylContact O-C 3.43Å; A391-A394 WeakPolarHBondContact O-CB 3.2Å; A391-A394 PolarHBondContact O-N 3.03Å; A391-A394 VanDerWaalsContact O-N 3.15Å; A391-Q395 WeakPolarHBondContact O-CB 3.46Å; A391-Q395 PolarHBondContact O-N 3.3Å |
| 392 | T | 87.5 | Confident | 78.4 | Confident | 37 Ų | 37 | 48.5 Ų | 48.5 | 23% | 0.227 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 178.3 | -45.4 | 0 | 0 | 0 | 0 | 111.8 | D386 Q395 S396 | D386-T392 HydrophobicContact CB-CG2 4.47Å; D386-T392 VanDerWaalsContact O-CB 3.24Å; D386-T392 WeakPolarHBondContact O-CB 3.48Å; D386-T392 PolarHBondContact O-OG1 2.83Å; D386-T392 PolarHBondContact OD1-OG1 3.22Å; T392-Q395 PolarHBondContact O-N 3.39Å; T392-S396 PolarHBondContact O-N 2.85Å |
| 393 | A | 89.8 | Confident | 79.7 | Confident | 11 Ų | 11 | 50 Ų | 50 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68.8 | -35.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q324 F327 L389 P390 A391 S396 L397 | Q324-A393 HydrophobicContact CG-CB 3.86Å; F327-A393 HydrophobicContact CB-CB 3.94Å; F327-A393 HydrophobicContact CD2-CB 4.31Å; L389-A393 PolarHBondContact O-N 3.12Å; P390-A393 PolarHBondContact O-N 2.88Å; A391-A393 PolarHBondContact O-N 2.84Å; A393-S396 PolarHBondContact O-N 3.37Å; A393-L397 WeakPolarHBondContact O-CB 3.31Å; A393-L397 PolarHBondContact O-N 3.09Å |
| 394 | A | 92.3 | Very high | 81.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F327 I355 L358 P390 A391 L397 L398 | F327-A394 HydrophobicContact CD2-CB 3.89Å; F327-A394 HydrophobicContact CE2-CB 3.83Å; F327-A394 HydrophobicContact CZ-CB 4.41Å; I355-A394 HydrophobicContact CB-CB 4.39Å; I355-A394 HydrophobicContact CG1-CB 4.1Å; I355-A394 HydrophobicContact CG2-CB 4.08Å; L358-A394 HydrophobicContact CD1-CB 4.05Å; P390-A394 VanDerWaalsContact O-CB 3.23Å; P390-A394 WeakPolarHBondContact O-CB 3.43Å; P390-A394 PolarHBondContact O-N 3.21Å; A391-A394 CarbonylContact O-C 3.43Å; A391-A394 WeakPolarHBondContact O-CB 3.2Å; A391-A394 PolarHBondContact O-N 3.03Å; A391-A394 VanDerWaalsContact O-N 3.15Å; A394-L397 PolarHBondContact O-N 3.1Å; A394-L398 WeakPolarHBondContact O-CB 3.47Å; A394-L398 PolarHBondContact O-N 3.29Å |
| 395 | Q | 92.1 | Very high | 83.4 | Confident | 54 Ų | 54 | 36.3 Ų | 36.3 | 25% | 0.252 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -60.5 | -49.1 | 172.5 | -178.8 | -179.9 | -32.3 | 0 | 0 | 111 | M359 A391 T392 L397 L398 C399 A439 | M359-Q395 HydrophobicContact CE-CB 3.83Å; M359-Q395 HydrophobicContact CE-CG 3.89Å; M359-Q395 HydrophobicContact SD-CB 4.01Å; A391-Q395 WeakPolarHBondContact O-CB 3.46Å; A391-Q395 PolarHBondContact O-N 3.3Å; T392-Q395 PolarHBondContact O-N 3.39Å; Q395-L397 VanDerWaalsContact C-N 3.32Å; Q395-L397 PolarHBondContact O-N 3.21Å; Q395-L398 WeakPolarHBondContact O-CB 3.19Å; Q395-L398 PolarHBondContact O-N 2.96Å; Q395-L398 VanDerWaalsContact O-N 3.13Å; Q395-C399 PolarHBondContact O-N 3.24Å; Q395-C399 PolarHBondContact O-SG 3.17Å; Q395-A439 HydrophobicContact CG-CB 3.65Å |
| 396 | S | 92.6 | Very high | 85.1 | Confident | 59 Ų | 59 | 39.1 Ų | 39.1 | 41% | 0.413 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -57.6 | -44.7 | 177.1 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | N331 T392 A393 L398 C399 K400 | N331-S396 PolarHBondContact ND2-OG 3.47Å; T392-S396 PolarHBondContact O-N 2.85Å; A393-S396 PolarHBondContact O-N 3.37Å; S396-L398 PolarHBondContact O-N 3.45Å; S396-C399 PolarHBondContact O-N 3.41Å; S396-K400 WeakPolarHBondContact O-CB 3.3Å; S396-K400 PolarHBondContact O-N 2.92Å |
| 397 | L | 94.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -59.4 | -44.9 | 175 | 177.7 | 65.2 | 0 | 0 | 0 | 111.8 | F327 L330 N331 L334 I355 A393 A394 Q395 A401 | F327-L397 HydrophobicContact CB-CD2 4.38Å; F327-L397 HydrophobicContact CD1-CD2 3.91Å; F327-L397 HydrophobicContact CG-CD2 4.46Å; L330-L397 HydrophobicContact CB-CD1 4.02Å; L330-L397 HydrophobicContact CB-CD2 4.25Å; N331-L397 HydrophobicContact CB-CB 4.49Å; N331-L397 HydrophobicContact CB-CD1 3.99Å; L334-L397 HydrophobicContact CD1-CD1 3.7Å; L334-L397 HydrophobicContact CG-CD1 4.21Å; I355-L397 HydrophobicContact CD1-CD2 4.09Å; I355-L397 HydrophobicContact CD1-CG 4.34Å; A393-L397 WeakPolarHBondContact O-CB 3.31Å; A393-L397 PolarHBondContact O-N 3.09Å; A394-L397 PolarHBondContact O-N 3.1Å; Q395-L397 VanDerWaalsContact C-N 3.32Å; Q395-L397 PolarHBondContact O-N 3.21Å; L397-A401 WeakPolarHBondContact O-CB 3.15Å; L397-A401 PolarHBondContact O-N 3.29Å |
| 398 | L | 94.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.4 | -48.9 | 176.8 | 176.4 | 61.3 | 0 | 0 | 0 | 111.7 | I355 A394 Q395 S396 A401 A402 I408 M412 C436 L440 | I355-L398 HydrophobicContact CD1-CB 4.34Å; I355-L398 HydrophobicContact CG2-CB 4.26Å; I355-L398 HydrophobicContact CG2-CD2 4.32Å; A394-L398 WeakPolarHBondContact O-CB 3.47Å; A394-L398 PolarHBondContact O-N 3.29Å; Q395-L398 WeakPolarHBondContact O-CB 3.19Å; Q395-L398 PolarHBondContact O-N 2.96Å; Q395-L398 VanDerWaalsContact O-N 3.13Å; S396-L398 PolarHBondContact O-N 3.45Å; L398-A401 PolarHBondContact O-N 3.08Å; L398-A402 VanDerWaalsContact O-CB 3.24Å; L398-A402 WeakPolarHBondContact O-CB 3.41Å; L398-A402 PolarHBondContact O-N 3.02Å; L398-I408 HydrophobicContact CD1-CG2 4.4Å; L398-M412 HydrophobicContact CD1-CE 3.62Å; L398-M412 HydrophobicContact CD1-CG 4.15Å; L398-M412 HydrophobicContact CD2-CE 3.62Å; L398-M412 HydrophobicContact CD2-CG 4.48Å; L398-M412 HydrophobicContact CG-CE 4.27Å; L398-C436 HydrophobicContact CD2-CB 4.35Å; L398-L440 HydrophobicContact CD2-CD1 4.42Å; L398-L440 HydrophobicContact CG-CD2 4.4Å |
| 399 | C | 93.1 | Very high | 90.2 | Very high | 26 Ų | 26 | 32 Ų | 32 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.6 | -45.7 | -177.9 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | Q395 S396 A402 R403 A439 | Q395-C399 PolarHBondContact O-N 3.24Å; Q395-C399 PolarHBondContact O-SG 3.17Å; S396-C399 PolarHBondContact O-N 3.41Å; C399-A402 PolarHBondContact O-N 3.39Å; C399-R403 VanDerWaalsContact O-CB 3.28Å; C399-R403 WeakPolarHBondContact O-CB 3.29Å; C399-R403 PolarHBondContact O-N 3.18Å; C399-A439 PolarHBondContact SG-O 2.98Å |
| 400 | K | 92.4 | Very high | 90.9 | Very high | 42 Ų | 42 | 31.4 Ų | 31.4 | 18% | 0.183 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 176.2 | -166.4 | 179.1 | -177.9 | -172.8 | 0 | 111.6 | N331 L334 S335 S396 R403 K404 | N331-K400 WeakPolarHBondContact O-CD 3.35Å; N331-K400 PolarHBondContact O-NZ 3.26Å; N331-K400 WeakPolarHBondContact OD1-CB 3.41Å; N331-K400 WeakPolarHBondContact OD1-CD 3.34Å; L334-K400 HydrophobicContact CB-CD 4.43Å; L334-K400 HydrophobicContact CD1-CB 3.84Å; L334-K400 HydrophobicContact CD1-CD 4.16Å; L334-K400 HydrophobicContact CD1-CG 3.98Å; S335-K400 VanDerWaalsContact OG-CE 3.25Å; S335-K400 WeakPolarHBondContact OG-CE 3.47Å; S335-K400 PolarHBondContact OG-NZ 3.18Å; S396-K400 WeakPolarHBondContact O-CB 3.3Å; S396-K400 PolarHBondContact O-N 2.92Å; K400-R403 PolarHBondContact O-N 3.18Å; K400-K404 HydrophobicContact CG-CG 4.17Å; K400-K404 WeakPolarHBondContact O-CB 3.46Å; K400-K404 WeakPolarHBondContact O-CG 3.05Å; K400-K404 PolarHBondContact O-N 3.46Å |
| 401 | A | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.4 | -44.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L334 L397 L398 R403 R405 I408 | L334-A401 HydrophobicContact CD1-CB 3.82Å; L334-A401 HydrophobicContact CD2-CB 3.91Å; L397-A401 WeakPolarHBondContact O-CB 3.15Å; L397-A401 PolarHBondContact O-N 3.29Å; L398-A401 PolarHBondContact O-N 3.08Å; A401-R403 VanDerWaalsContact C-N 3.33Å; A401-R403 PolarHBondContact O-N 3.02Å; A401-R405 WeakPolarHBondContact O-CA 3.39Å; A401-R405 VanDerWaalsContact O-CB 3.29Å; A401-R405 WeakPolarHBondContact O-CB 3.38Å; A401-R405 PolarHBondContact O-N 3.41Å; A401-I408 HydrophobicContact CB-CB 4.48Å; A401-I408 HydrophobicContact CB-CG1 4.35Å; A401-I408 HydrophobicContact CB-CG2 4Å |
| 402 | A | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L398 C399 L409 L440 L443 | L398-A402 VanDerWaalsContact O-CB 3.24Å; L398-A402 WeakPolarHBondContact O-CB 3.41Å; L398-A402 PolarHBondContact O-N 3.02Å; C399-A402 PolarHBondContact O-N 3.39Å; A402-L409 HydrophobicContact CB-CB 4.06Å; A402-L409 HydrophobicContact CB-CD1 4.26Å; A402-L440 HydrophobicContact CB-CD2 3.57Å; A402-L443 VanDerWaalsContact C-CD2 3.47Å; A402-L443 HydrophobicContact CB-CD2 3.71Å |
| 403 | R | 90.6 | Very high | 91.9 | Very high | 73 Ų | 73 | 32.6 Ų | 32.6 | 28% | 0.275 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.7 | -51.4 | 177.5 | -169.9 | -178.9 | -57.8 | -166.1 | -4.9 | 111.8 | C399 K400 A401 E442 L443 E902 | C399-R403 VanDerWaalsContact O-CB 3.28Å; C399-R403 WeakPolarHBondContact O-CB 3.29Å; C399-R403 PolarHBondContact O-N 3.18Å; K400-R403 PolarHBondContact O-N 3.18Å; A401-R403 VanDerWaalsContact C-N 3.33Å; A401-R403 PolarHBondContact O-N 3.02Å; R403-E442 IonicContact NH2-OE1 3.15Å; R403-E442 IonicContact NH2-OE2 3.68Å; R403-E442 PolarHBondContact NH2-OE2 3.48Å; R403-L443 HydrophobicContact CB-CD1 4.38Å; R403-L443 HydrophobicContact CB-CD2 4.31Å; R403-L443 HydrophobicContact CG-CD1 4.23Å; R403-E902 WeakPolarHBondContact CD-OE2 3.4Å; R403-E902 HydrophobicContact CG-CB 4.32Å |
| 404 | K | 88.3 | Confident | 92.1 | Very high | 20 Ų | 20 | 35 Ų | 35 | 9% | 0.087 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -89 | -25.1 | -170.9 | -60.4 | -56.7 | -167.9 | 179.9 | 0 | 114.3 | K400 E902 I904 E910 | K400-K404 HydrophobicContact CG-CG 4.17Å; K400-K404 WeakPolarHBondContact O-CB 3.46Å; K400-K404 WeakPolarHBondContact O-CG 3.05Å; K400-K404 PolarHBondContact O-N 3.46Å; K404-E902 HydrophobicContact CD-CB 4.37Å; K404-E902 WeakPolarHBondContact CD-O 3.36Å; K404-E902 IonicContact NZ-OE2 2.68Å; K404-E902 PolarHBondContact NZ-OE2 3.32Å; K404-I904 HydrophobicContact CB-CD1 4Å; K404-I904 HydrophobicContact CB-CG1 4.33Å; K404-I904 HydrophobicContact CD-CD1 4Å; K404-I904 HydrophobicContact CD-CG1 4.25Å; K404-I904 HydrophobicContact CG-CD1 4.2Å; K404-I904 PolarHBondContact O-N 3.03Å; K404-E910 WeakPolarHBondContact CE-OE1 3.44Å; K404-E910 IonicContact NZ-OE1 3.75Å; K404-E910 PolarHBondContact NZ-OE1 3.46Å |
| 405 | R | 89.5 | Confident | 92.3 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | trans | -120 | 106.5 | -172.9 | -57.1 | -62 | -175.5 | -177.4 | 1.3 | 111.2 | L334 W340 A401 E407 I408 I904 P905 | L334-R405 HydrophobicContact CD2-CG 4.36Å; L334-R405 VanDerWaalsContact O-CZ 3.31Å; L334-R405 PolarHBondContact O-NE 2.67Å; L334-R405 VanDerWaalsContact O-NE 3.11Å; L334-R405 PolarHBondContact O-NH2 3.49Å; W340-R405 HydrophobicContact CD2-CG 3.95Å; W340-R405 HydrophobicContact CE3-CG 3.94Å; W340-R405 VanDerWaalsContact CG-CZ 3.45Å; W340-R405 HydrophobicContact CH2-CB 3.73Å; W340-R405 HydrophobicContact CH2-CG 3.69Å; W340-R405 HydrophobicContact CZ2-CB 3.7Å; W340-R405 HydrophobicContact CZ2-CG 3.7Å; W340-R405 HydrophobicContact CZ3-CB 4.34Å; W340-R405 HydrophobicContact CZ3-CG 3.82Å; A401-R405 WeakPolarHBondContact O-CA 3.39Å; A401-R405 VanDerWaalsContact O-CB 3.29Å; A401-R405 WeakPolarHBondContact O-CB 3.38Å; A401-R405 PolarHBondContact O-N 3.41Å; R405-E407 VanDerWaalsContact C-N 3.26Å; R405-E407 PolarHBondContact O-N 3.32Å; R405-I408 HydrophobicContact CB-CG1 4.03Å; R405-I408 PolarHBondContact O-N 3.32Å; R405-I904 PolarHBondContact NH1-O 3.05Å; R405-P905 PolarHBondContact NH1-O 3.26Å | ||
| 406 | K | 85.9 | Confident | 92.4 | Very high | 146 Ų | 146 | 34.6 Ų | 34.6 | 64% | 0.635 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -47.2 | -36.1 | -171.8 | -173.1 | 172.6 | -173 | 164.7 | 0 | 116.5 | P410 E903 | K406-P410 WeakPolarHBondContact O-CD 3.44Å; K406-E903 WeakPolarHBondContact CD-OE2 3.4Å; K406-E903 WeakPolarHBondContact CG-OE2 3.37Å |
| 407 | E | 87.4 | Confident | 92.5 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 42% | 0.421 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -22.1 | -175.2 | -66.5 | 172.4 | -161.1 | 0 | 0 | 113.4 | K344 R405 Q411 | K344-E407 VanDerWaalsContact CE-CD 3.49Å; K344-E407 WeakPolarHBondContact CE-OE1 3.48Å; K344-E407 WeakPolarHBondContact CE-OE2 3.43Å; K344-E407 IonicContact NZ-OE1 2.87Å; K344-E407 PolarHBondContact NZ-OE1 3.16Å; K344-E407 IonicContact NZ-OE2 2.91Å; K344-E407 PolarHBondContact NZ-OE2 2.84Å; R405-E407 VanDerWaalsContact C-N 3.26Å; R405-E407 PolarHBondContact O-N 3.32Å; E407-Q411 WeakPolarHBondContact O-CB 3.41Å; E407-Q411 VanDerWaalsContact O-CD 3.28Å; E407-Q411 WeakPolarHBondContact O-CG 3.5Å; E407-Q411 PolarHBondContact O-N 2.92Å |
| 408 | I | 93 | Very high | 92.5 | Very high | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -77.3 | -44.6 | -168.5 | -59.4 | -54 | 0 | 0 | 0 | 112.3 | W340 M347 L398 A401 R405 Q411 M412 | W340-I408 HydrophobicContact CH2-CD1 4.05Å; W340-I408 HydrophobicContact CH2-CG1 4Å; M347-I408 HydrophobicContact CB-CD1 3.94Å; M347-I408 HydrophobicContact CG-CD1 3.43Å; M347-I408 VanDerWaalsContact CG-CD1 3.43Å; M347-I408 HydrophobicContact CG-CG1 4.15Å; L398-I408 HydrophobicContact CD1-CG2 4.4Å; A401-I408 HydrophobicContact CB-CB 4.48Å; A401-I408 HydrophobicContact CB-CG1 4.35Å; A401-I408 HydrophobicContact CB-CG2 4Å; R405-I408 HydrophobicContact CB-CG1 4.03Å; R405-I408 PolarHBondContact O-N 3.32Å; I408-Q411 PolarHBondContact O-N 3.01Å; I408-M412 WeakPolarHBondContact O-CB 3.47Å; I408-M412 PolarHBondContact O-N 3.41Å |
| 409 | L | 92.9 | Very high | 92.4 | Very high | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.8 | -51.5 | -179.5 | 177.3 | 67.3 | 0 | 0 | 0 | 112.3 | A402 Q411 M412 M413 L440 L443 L444 K447 Y450 | A402-L409 HydrophobicContact CB-CB 4.06Å; A402-L409 HydrophobicContact CB-CD1 4.26Å; L409-Q411 VanDerWaalsContact C-N 3.34Å; L409-Q411 PolarHBondContact O-N 3.13Å; L409-M412 PolarHBondContact O-N 3.06Å; L409-M413 HydrophobicContact CD1-CG 4.01Å; L409-M413 HydrophobicContact CG-CG 4.48Å; L409-M413 WeakPolarHBondContact O-CB 3.4Å; L409-M413 WeakPolarHBondContact O-CG 3.39Å; L409-M413 PolarHBondContact O-N 3.2Å; L409-L440 HydrophobicContact CD1-CD1 4.11Å; L409-L443 HydrophobicContact CD1-CD2 4.16Å; L409-L443 HydrophobicContact CD2-CD2 3.97Å; L409-L443 HydrophobicContact CD2-CG 4.19Å; L409-L444 HydrophobicContact CD1-CD2 3.97Å; L409-K447 HydrophobicContact CD2-CD 3.86Å; L409-Y450 HydrophobicContact CD2-CD2 4.22Å; L409-Y450 HydrophobicContact CD2-CE2 3.67Å; L409-Y450 HydrophobicContact CG-CE2 4.21Å |
| 410 | P | 93 | Very high | 92.4 | Very high | 62 Ų | 62 | 44.5 Ų | 44.5 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.5 | -38.8 | 177.7 | -22.1 | 33.5 | 0 | 0 | 0 | 113.4 | K406 A414 | K406-P410 WeakPolarHBondContact O-CD 3.44Å; P410-A414 VanDerWaalsContact O-CB 3.29Å; P410-A414 WeakPolarHBondContact O-CB 3.24Å; P410-A414 PolarHBondContact O-N 3.4Å |
| 411 | Q | 93.7 | Very high | 92.4 | Very high | 65 Ų | 65 | 44.9 Ų | 44.9 | 30% | 0.304 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.5 | -44.8 | 178.1 | -75.3 | 173.3 | 7.4 | 0 | 0 | 111.7 | E407 I408 L409 F415 | E407-Q411 WeakPolarHBondContact O-CB 3.41Å; E407-Q411 VanDerWaalsContact O-CD 3.28Å; E407-Q411 WeakPolarHBondContact O-CG 3.5Å; E407-Q411 PolarHBondContact O-N 2.92Å; I408-Q411 PolarHBondContact O-N 3.01Å; L409-Q411 VanDerWaalsContact C-N 3.34Å; L409-Q411 PolarHBondContact O-N 3.13Å; Q411-F415 WeakPolarHBondContact O-CB 3.12Å; Q411-F415 PolarHBondContact O-N 3.27Å |
| 412 | M | 94.6 | Very high | 92.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.02 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.8 | -42.1 | 179.5 | -171.8 | 57.3 | 114.9 | 0 | 0 | 111.6 | C351 L398 I408 L409 A414 F415 C416 L440 | C351-M412 HydrophobicContact CB-CE 3.88Å; L398-M412 HydrophobicContact CD1-CE 3.62Å; L398-M412 HydrophobicContact CD1-CG 4.15Å; L398-M412 HydrophobicContact CD2-CE 3.62Å; L398-M412 HydrophobicContact CD2-CG 4.48Å; L398-M412 HydrophobicContact CG-CE 4.27Å; I408-M412 WeakPolarHBondContact O-CB 3.47Å; I408-M412 PolarHBondContact O-N 3.41Å; L409-M412 PolarHBondContact O-N 3.06Å; M412-A414 PolarHBondContact O-N 3.45Å; M412-F415 WeakPolarHBondContact O-CB 3.41Å; M412-F415 PolarHBondContact O-N 3.28Å; M412-F415 HydrophobicContact SD-CD1 4.1Å; M412-C416 PolarHBondContact O-N 3.32Å; M412-C416 PolarHBondContact O-SG 2.92Å; M412-L440 HydrophobicContact CG-CD1 4.31Å |
| 413 | M | 94.3 | Very high | 91.8 | Very high | 23 Ų | 23 | 53.4 Ų | 53.4 | 11% | 0.113 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -40.6 | 176.8 | -70.3 | -53.8 | -63.9 | 0 | 0 | 112.2 | L409 F415 C416 H417 I437 L444 Y450 | L409-M413 HydrophobicContact CD1-CG 4.01Å; L409-M413 HydrophobicContact CG-CG 4.48Å; L409-M413 WeakPolarHBondContact O-CB 3.4Å; L409-M413 WeakPolarHBondContact O-CG 3.39Å; L409-M413 PolarHBondContact O-N 3.2Å; M413-F415 VanDerWaalsContact C-N 3.32Å; M413-F415 PolarHBondContact O-N 3.25Å; M413-C416 PolarHBondContact O-N 3.46Å; M413-H417 VanDerWaalsContact O-CB 3.23Å; M413-H417 WeakPolarHBondContact O-CB 3.24Å; M413-H417 PolarHBondContact O-N 2.92Å; M413-I437 HydrophobicContact CE-CG1 4.16Å; M413-I437 HydrophobicContact SD-CG1 4.22Å; M413-L444 HydrophobicContact CE-CD1 4.12Å; M413-L444 HydrophobicContact CE-CD2 4.17Å; M413-L444 HydrophobicContact CG-CD2 4.11Å; M413-L444 HydrophobicContact SD-CD1 3.96Å; M413-L444 HydrophobicContact SD-CD2 3.92Å; M413-Y450 HydrophobicContact CB-CE1 4.23Å; M413-Y450 HydrophobicContact CG-CE1 3.93Å |
| 414 | A | 94.4 | Very high | 91.7 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 52% | 0.521 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | P410 M412 K418 | P410-A414 VanDerWaalsContact O-CB 3.29Å; P410-A414 WeakPolarHBondContact O-CB 3.24Å; P410-A414 PolarHBondContact O-N 3.4Å; M412-A414 PolarHBondContact O-N 3.45Å; A414-K418 PolarHBondContact O-N 3.21Å; A414-K418 VanDerWaalsContact O-N 3.09Å |
| 415 | F | 95.3 | Very high | 91.8 | Very high | 43 Ų | 43 | 55.2 Ų | 55.2 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.5 | -49.7 | 176.2 | 178.6 | -106.2 | 0 | 0 | 0 | 112.1 | Q352 F356 Q411 M412 M413 H417 K418 I419 | Q352-F415 HydrophobicContact CB-CE1 4.5Å; Q352-F415 HydrophobicContact CB-CE2 4.24Å; Q352-F415 HydrophobicContact CB-CZ 4.17Å; Q352-F415 HydrophobicContact CG-CD1 4.2Å; Q352-F415 HydrophobicContact CG-CD2 3.89Å; Q352-F415 HydrophobicContact CG-CE1 4.28Å; Q352-F415 HydrophobicContact CG-CE2 4Å; Q352-F415 HydrophobicContact CG-CG 3.99Å; Q352-F415 HydrophobicContact CG-CZ 4.19Å; F356-F415 HydrophobicContact CB-CE1 4.13Å; F356-F415 AromaticContact CD1-CE1 3.89Å; F356-F415 HydrophobicContact CD1-CE1 3.89Å; F356-F415 HydrophobicContact CD1-CZ 4.15Å; F356-F415 HydrophobicContact CD2-CD1 4.39Å; F356-F415 AromaticContact CD2-CE1 3.68Å; F356-F415 HydrophobicContact CD2-CE1 3.68Å; F356-F415 HydrophobicContact CE1-CE1 4.19Å; F356-F415 HydrophobicContact CE1-CZ 4.35Å; F356-F415 AromaticContact CE2-CE1 3.95Å; F356-F415 HydrophobicContact CE2-CE1 3.95Å; F356-F415 AromaticContact CG-CE1 3.63Å; F356-F415 HydrophobicContact CG-CE1 3.63Å; F356-F415 HydrophobicContact CG-CZ 4.31Å; F356-F415 HydrophobicContact CZ-CE1 4.21Å; Q411-F415 WeakPolarHBondContact O-CB 3.12Å; Q411-F415 PolarHBondContact O-N 3.27Å; M412-F415 WeakPolarHBondContact O-CB 3.41Å; M412-F415 PolarHBondContact O-N 3.28Å; M412-F415 HydrophobicContact SD-CD1 4.1Å; M413-F415 VanDerWaalsContact C-N 3.32Å; M413-F415 PolarHBondContact O-N 3.25Å; F415-H417 VanDerWaalsContact C-N 3.34Å; F415-H417 PolarHBondContact O-N 3.07Å; F415-K418 WeakPolarHBondContact O-CB 3.49Å; F415-K418 PolarHBondContact O-N 3.49Å; F415-I419 HydrophobicContact CD1-CD1 3.89Å; F415-I419 HydrophobicContact CD2-CD1 4.49Å; F415-I419 HydrophobicContact CE1-CD1 3.42Å; F415-I419 VanDerWaalsContact CE1-CD1 3.42Å; F415-I419 HydrophobicContact CE2-CD1 4.09Å; F415-I419 HydrophobicContact CG-CD1 4.4Å; F415-I419 HydrophobicContact CZ-CD1 3.53Å; F415-I419 PolarHBondContact O-N 3.16Å |
| 416 | C | 94.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.8 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | M412 M413 K418 I419 L420 A433 I437 | M412-C416 PolarHBondContact O-N 3.32Å; M412-C416 PolarHBondContact O-SG 2.92Å; M413-C416 PolarHBondContact O-N 3.46Å; C416-K418 VanDerWaalsContact C-N 3.34Å; C416-K418 PolarHBondContact O-N 3.04Å; C416-I419 PolarHBondContact O-N 2.94Å; C416-L420 WeakPolarHBondContact O-CG 3.23Å; C416-L420 PolarHBondContact O-N 2.61Å; C416-A433 HydrophobicContact CB-CB 4.14Å; C416-I437 HydrophobicContact CB-CD1 3.92Å; C416-I437 HydrophobicContact CB-CG1 4.04Å |
| 417 | H | 93.3 | Very high | 92.2 | Very high | 102 Ų | 102 | 54.4 Ų | 54.4 | 47% | 0.472 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -42.1 | 176.4 | -179.9 | 63 | 0 | 0 | 0 | 112.2 | M413 F415 I419 L420 A421 Y461 | M413-H417 VanDerWaalsContact O-CB 3.23Å; M413-H417 WeakPolarHBondContact O-CB 3.24Å; M413-H417 PolarHBondContact O-N 2.92Å; F415-H417 VanDerWaalsContact C-N 3.34Å; F415-H417 PolarHBondContact O-N 3.07Å; H417-I419 VanDerWaalsContact C-N 3.3Å; H417-I419 PolarHBondContact O-N 2.9Å; H417-L420 PolarHBondContact O-N 2.8Å; H417-A421 WeakPolarHBondContact O-CB 3.3Å; H417-A421 PolarHBondContact O-N 3.37Å; H417-Y461 PolarHBondContact CE1-OH 3.32Å |
| 418 | K | 94.4 | Very high | 92.5 | Very high | 158 Ų | 158 | 53.3 Ų | 53.3 | 69% | 0.687 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -59.7 | -40.8 | 176.5 | -175.7 | -175.9 | 175.7 | -171.5 | 0 | 112 | A414 F415 C416 D422 | A414-K418 PolarHBondContact O-N 3.21Å; A414-K418 VanDerWaalsContact O-N 3.09Å; F415-K418 WeakPolarHBondContact O-CB 3.49Å; F415-K418 PolarHBondContact O-N 3.49Å; C416-K418 VanDerWaalsContact C-N 3.34Å; C416-K418 PolarHBondContact O-N 3.04Å; K418-D422 PolarHBondContact O-N 3.08Å |
| 419 | I | 94.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.092 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.1 | -44.3 | 178.1 | -74.6 | 161.8 | 0 | 0 | 0 | 111.5 | F356 F415 C416 H417 T425 S429 A433 | F356-I419 HydrophobicContact CE1-CD1 3.94Å; F356-I419 HydrophobicContact CE2-CD1 3.72Å; F356-I419 HydrophobicContact CZ-CD1 3.33Å; F415-I419 HydrophobicContact CD1-CD1 3.89Å; F415-I419 HydrophobicContact CD2-CD1 4.49Å; F415-I419 HydrophobicContact CE1-CD1 3.42Å; F415-I419 VanDerWaalsContact CE1-CD1 3.42Å; F415-I419 HydrophobicContact CE2-CD1 4.09Å; F415-I419 HydrophobicContact CG-CD1 4.4Å; F415-I419 HydrophobicContact CZ-CD1 3.53Å; F415-I419 PolarHBondContact O-N 3.16Å; C416-I419 PolarHBondContact O-N 2.94Å; H417-I419 VanDerWaalsContact C-N 3.3Å; H417-I419 PolarHBondContact O-N 2.9Å; I419-T425 HydrophobicContact CG2-CG2 3.88Å; I419-S429 WeakPolarHBondContact CG2-O 3.36Å; I419-A433 HydrophobicContact CB-CB 4.28Å; I419-A433 HydrophobicContact CG2-CB 3.77Å |
| 420 | L | 92.6 | Very high | 92.5 | Very high | 15 Ų | 15 | 56.5 Ų | 56.5 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -71.8 | -34.6 | -179.1 | -67.7 | 175.7 | 0 | 0 | 0 | 112.8 | C416 H417 D422 K430 A433 L434 I437 Y461 | C416-L420 WeakPolarHBondContact O-CG 3.23Å; C416-L420 PolarHBondContact O-N 2.61Å; H417-L420 PolarHBondContact O-N 2.8Å; L420-D422 VanDerWaalsContact C-N 3.34Å; L420-K430 HydrophobicContact CD2-CB 4.44Å; L420-A433 HydrophobicContact CD2-CB 4.04Å; L420-A433 HydrophobicContact CG-CB 4.01Å; L420-L434 HydrophobicContact CD1-CD2 4.36Å; L420-L434 HydrophobicContact CD2-CD2 4.19Å; L420-L434 HydrophobicContact CD2-CG 4.33Å; L420-I437 HydrophobicContact CD1-CD1 3.58Å; L420-Y461 HydrophobicContact CB-CD1 3.72Å; L420-Y461 HydrophobicContact CB-CE1 4.04Å; L420-Y461 HydrophobicContact CB-CG 4.08Å; L420-Y461 HydrophobicContact CD1-CG 4.37Å; L420-Y461 WeakPolarHBondContact O-CE1 3.49Å |
| 421 | A | 91.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 53.6 Ų | 53.6 | 41% | 0.413 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.7 | -24.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | H417 P423 | H417-A421 WeakPolarHBondContact O-CB 3.3Å; H417-A421 PolarHBondContact O-N 3.37Å; A421-P423 VanDerWaalsContact O-CD 3.3Å; A421-P423 WeakPolarHBondContact O-CD 3.27Å |
| 422 | D | 91.7 | Very high | 92.6 | Very high | 65 Ų | 65 | 50.5 Ų | 50.5 | 35% | 0.348 | 29% | 0.286 | S | S | . | . | trans | -86.1 | 111.4 | 179.5 | -176 | -8.2 | 0 | 0 | 0 | 111.1 | K418 L420 S424 T425 | K418-D422 PolarHBondContact O-N 3.08Å; L420-D422 VanDerWaalsContact C-N 3.34Å; D422-S424 VanDerWaalsContact CG-OG 3.32Å; D422-S424 PolarHBondContact O-N 3.29Å; D422-S424 WeakPolarHBondContact OD1-CB 3.37Å; D422-S424 PolarHBondContact OD1-N 3.39Å; D422-S424 PolarHBondContact OD1-OG 3.41Å; D422-S424 PolarHBondContact OD2-OG 2.93Å; D422-T425 WeakPolarHBondContact CB-OG1 3.44Å; D422-T425 PolarHBondContact O-N 3.31Å; D422-T425 PolarHBondContact OD2-OG1 3.08Å | ||
| 423 | P | 83 | Confident | 92.6 | Very high | 114 Ų | 114 | 50.3 Ų | 50.3 | 74% | 0.74 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -24 | -179.3 | 27.5 | -34.6 | 0 | 0 | 0 | 112.9 | A421 T425 K430 | A421-P423 VanDerWaalsContact O-CD 3.3Å; A421-P423 WeakPolarHBondContact O-CD 3.27Å; P423-T425 VanDerWaalsContact C-N 3.34Å; P423-K430 PolarHBondContact O-NZ 3.03Å |
| 424 | S | 87.9 | Confident | 92.7 | Very high | 102 Ų | 102 | 49.2 Ų | 49.2 | 71% | 0.713 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -5.7 | -177.9 | 71.9 | 0 | 0 | 0 | 0 | 114.3 | D422 | D422-S424 VanDerWaalsContact CG-OG 3.32Å; D422-S424 PolarHBondContact O-N 3.29Å; D422-S424 WeakPolarHBondContact OD1-CB 3.37Å; D422-S424 PolarHBondContact OD1-N 3.39Å; D422-S424 PolarHBondContact OD1-OG 3.41Å; D422-S424 PolarHBondContact OD2-OG 2.93Å |
| 425 | T | 90.7 | Very high | 92.7 | Very high | 29 Ų | 29 | 47.4 Ų | 47.4 | 18% | 0.178 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -69.1 | 141.6 | 179.5 | -65.9 | 0 | 0 | 0 | 0 | 111.6 | I419 D422 P423 K430 | I419-T425 HydrophobicContact CG2-CG2 3.88Å; D422-T425 WeakPolarHBondContact CB-OG1 3.44Å; D422-T425 PolarHBondContact O-N 3.31Å; D422-T425 PolarHBondContact OD2-OG1 3.08Å; P423-T425 VanDerWaalsContact C-N 3.34Å; T425-K430 WeakPolarHBondContact O-CE 3.49Å |
| 426 | D | 90.9 | Very high | 92.6 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | trans | -51.9 | 132.4 | 178 | 177.4 | 62.6 | 0 | 0 | 0 | 112.1 | R428 S429 K430 | D426-R428 VanDerWaalsContact C-N 3.26Å; D426-R428 PolarHBondContact O-N 3.39Å; D426-R428 WeakPolarHBondContact OD2-CB 3.48Å; D426-R428 PolarHBondContact OD2-N 2.95Å; D426-S429 WeakPolarHBondContact O-CB 3.27Å; D426-S429 PolarHBondContact O-N 3.27Å; D426-S429 PolarHBondContact OD2-N 2.88Å; D426-K430 PolarHBondContact O-N 3.35Å; D426-K430 VanDerWaalsContact O-N 3.16Å | ||
| 427 | P | 92 | Very high | 92.7 | Very high | 50 Ų | 50 | 45.4 Ų | 45.4 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -51.4 | -36.4 | 177.5 | -33.9 | 40.1 | 0 | 0 | 0 | 115.2 | S429 K430 D431 Y472 L473 | P427-S429 VanDerWaalsContact C-N 3.33Å; P427-S429 PolarHBondContact O-N 3.36Å; P427-K430 WeakPolarHBondContact O-CB 3.4Å; P427-K430 PolarHBondContact O-N 3.03Å; P427-K430 VanDerWaalsContact O-N 3.16Å; P427-D431 PolarHBondContact O-N 3.2Å; P427-Y472 WeakPolarHBondContact CB-OH 3.23Å; P427-L473 HydrophobicContact CB-CD1 4.02Å |
| 428 | R | 93 | Very high | 92.7 | Very high | 67 Ų | 67 | 40.8 Ų | 40.8 | 25% | 0.253 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -70.4 | -33.2 | 178.6 | -56.5 | 174.1 | 166.5 | -178 | -3.8 | 111.9 | Y361 D363 D426 K430 D431 G432 | Y361-R428 WeakPolarHBondContact O-CD 3.36Å; D363-R428 IonicContact OD1-CZ 3.6Å; D363-R428 IonicContact OD1-NH1 3.88Å; D363-R428 PolarHBondContact OD1-NH1 3.27Å; D363-R428 IonicContact OD1-NH2 3.8Å; D363-R428 PolarHBondContact OD1-NH2 3.3Å; D363-R428 IonicContact OD2-NH1 3.55Å; D426-R428 VanDerWaalsContact C-N 3.26Å; D426-R428 PolarHBondContact O-N 3.39Å; D426-R428 WeakPolarHBondContact OD2-CB 3.48Å; D426-R428 PolarHBondContact OD2-N 2.95Å; R428-K430 VanDerWaalsContact C-N 3.31Å; R428-K430 PolarHBondContact O-N 3.16Å; R428-D431 WeakPolarHBondContact O-CB 3.41Å; R428-D431 PolarHBondContact O-N 3.04Å; R428-G432 PolarHBondContact O-N 3.36Å |
| 429 | S | 93.1 | Very high | 92.6 | Very high | 34 Ų | 34 | 34.1 Ų | 34.1 | 24% | 0.238 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.4 | -33.8 | 171.6 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | F356 I419 D426 P427 G432 A433 | F356-S429 WeakPolarHBondContact CZ-O 3.48Å; I419-S429 WeakPolarHBondContact CG2-O 3.36Å; D426-S429 WeakPolarHBondContact O-CB 3.27Å; D426-S429 PolarHBondContact O-N 3.27Å; D426-S429 PolarHBondContact OD2-N 2.88Å; P427-S429 VanDerWaalsContact C-N 3.33Å; P427-S429 PolarHBondContact O-N 3.36Å; S429-G432 PolarHBondContact O-N 2.64Å; S429-A433 PolarHBondContact O-N 3.04Å |
| 430 | K | 93.8 | Very high | 92.6 | Very high | 38 Ų | 38 | 33.4 Ų | 33.4 | 17% | 0.165 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -66.7 | -41.2 | 172.7 | -66.4 | -178.8 | -178.1 | 171.6 | 0 | 111.7 | L420 P423 T425 D426 P427 R428 A433 L434 | L420-K430 HydrophobicContact CD2-CB 4.44Å; P423-K430 PolarHBondContact O-NZ 3.03Å; T425-K430 WeakPolarHBondContact O-CE 3.49Å; D426-K430 PolarHBondContact O-N 3.35Å; D426-K430 VanDerWaalsContact O-N 3.16Å; P427-K430 WeakPolarHBondContact O-CB 3.4Å; P427-K430 PolarHBondContact O-N 3.03Å; P427-K430 VanDerWaalsContact O-N 3.16Å; R428-K430 VanDerWaalsContact C-N 3.31Å; R428-K430 PolarHBondContact O-N 3.16Å; K430-A433 PolarHBondContact O-N 3.32Å; K430-L434 WeakPolarHBondContact O-CG 3.46Å; K430-L434 PolarHBondContact O-N 3.33Å |
| 431 | D | 94.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.011 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.2 | -50.3 | 171.5 | 169.3 | 73.7 | 0 | 0 | 0 | 111.4 | Y361 P427 R428 A433 L434 H435 Y472 L473 R476 | Y361-D431 WeakPolarHBondContact CB-OD2 3.41Å; Y361-D431 PolarHBondContact N-OD2 2.83Å; P427-D431 PolarHBondContact O-N 3.2Å; R428-D431 WeakPolarHBondContact O-CB 3.41Å; R428-D431 PolarHBondContact O-N 3.04Å; D431-A433 VanDerWaalsContact C-N 3.3Å; D431-A433 PolarHBondContact O-N 3.5Å; D431-L434 WeakPolarHBondContact O-CB 3.47Å; D431-L434 PolarHBondContact O-N 3.46Å; D431-L434 VanDerWaalsContact O-N 3.14Å; D431-H435 WeakPolarHBondContact O-CB 3.13Å; D431-H435 PolarHBondContact O-N 3.48Å; D431-Y472 HydrophobicContact CB-CD2 4.21Å; D431-Y472 HydrophobicContact CB-CE2 4.11Å; D431-L473 HydrophobicContact CB-CD2 3.84Å; D431-R476 VanDerWaalsContact OD1-CB 3.3Å; D431-R476 WeakPolarHBondContact OD1-CB 3.34Å; D431-R476 WeakPolarHBondContact OD1-CG 3.48Å; D431-R476 IonicContact OD1-CZ 2.76Å; D431-R476 IonicContact OD1-NE 3.22Å; D431-R476 PolarHBondContact OD1-NE 3.03Å; D431-R476 IonicContact OD1-NH2 2.79Å |
| 432 | G | 93.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -59.3 | -37.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | R428 S429 H435 C436 | R428-G432 PolarHBondContact O-N 3.36Å; S429-G432 PolarHBondContact O-N 2.64Å; G432-H435 PolarHBondContact O-N 3.22Å; G432-C436 PolarHBondContact O-N 2.87Å; G432-C436 PolarHBondContact O-SG 3.38Å; G432-C436 VanDerWaalsContact O-SG 3.41Å |
| 433 | A | 95.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66 | -43.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | F356 C416 I419 L420 S429 K430 D431 H435 C436 I437 | F356-A433 HydrophobicContact CE2-CB 4.2Å; C416-A433 HydrophobicContact CB-CB 4.14Å; I419-A433 HydrophobicContact CB-CB 4.28Å; I419-A433 HydrophobicContact CG2-CB 3.77Å; L420-A433 HydrophobicContact CD2-CB 4.04Å; L420-A433 HydrophobicContact CG-CB 4.01Å; S429-A433 PolarHBondContact O-N 3.04Å; K430-A433 PolarHBondContact O-N 3.32Å; D431-A433 VanDerWaalsContact C-N 3.3Å; D431-A433 PolarHBondContact O-N 3.5Å; A433-H435 VanDerWaalsContact C-N 3.33Å; A433-C436 PolarHBondContact O-N 3.14Å; A433-I437 VanDerWaalsContact O-CG1 3.24Å; A433-I437 WeakPolarHBondContact O-CG1 3.44Å; A433-I437 PolarHBondContact O-N 3.39Å |
| 434 | L | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -40.3 | 173.7 | -72.4 | -174.2 | 0 | 0 | 0 | 111.8 | L420 K430 D431 I437 G438 V462 L465 R476 V480 | L420-L434 HydrophobicContact CD1-CD2 4.36Å; L420-L434 HydrophobicContact CD2-CD2 4.19Å; L420-L434 HydrophobicContact CD2-CG 4.33Å; K430-L434 WeakPolarHBondContact O-CG 3.46Å; K430-L434 PolarHBondContact O-N 3.33Å; D431-L434 WeakPolarHBondContact O-CB 3.47Å; D431-L434 PolarHBondContact O-N 3.46Å; D431-L434 VanDerWaalsContact O-N 3.14Å; L434-I437 PolarHBondContact O-N 3.18Å; L434-G438 PolarHBondContact O-N 3.29Å; L434-V462 HydrophobicContact CD2-CG2 3.88Å; L434-L465 HydrophobicContact CD1-CD1 3.73Å; L434-R476 HydrophobicContact CB-CG 3.71Å; L434-R476 HydrophobicContact CD1-CG 4.08Å; L434-V480 HydrophobicContact CB-CG2 3.9Å; L434-V480 HydrophobicContact CD2-CG2 4.47Å; L434-V480 WeakPolarHBondContact O-CG2 3.29Å |
| 435 | H | 94.1 | Very high | 92.9 | Very high | 24 Ų | 24 | 23.8 Ų | 23.8 | 11% | 0.111 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -62 | -47.7 | 177.4 | -166.6 | -178.4 | 0 | 0 | 0 | 111.5 | M359 D431 G432 A433 I437 G438 A439 R476 W479 | M359-H435 HydrophobicContact CB-CB 4.41Å; M359-H435 HydrophobicContact CE-CB 4.44Å; M359-H435 WeakPolarHBondContact CE-CD2 3.43Å; M359-H435 VanDerWaalsContact CE-CE1 3.42Å; M359-H435 WeakPolarHBondContact CE-CE1 3.33Å; M359-H435 VanDerWaalsContact CE-NE2 3.29Å; M359-H435 WeakPolarHBondContact CE-NE2 3.45Å; M359-H435 PolarHBondContact O-ND1 3.01Å; D431-H435 WeakPolarHBondContact O-CB 3.13Å; D431-H435 PolarHBondContact O-N 3.48Å; G432-H435 PolarHBondContact O-N 3.22Å; A433-H435 VanDerWaalsContact C-N 3.33Å; H435-I437 PolarHBondContact O-N 3.09Å; H435-G438 PolarHBondContact O-N 3.31Å; H435-A439 WeakPolarHBondContact O-CB 3.18Å; H435-A439 PolarHBondContact O-N 3.32Å; H435-R476 PolarHBondContact CD2-NH1 3.39Å; H435-W479 AromaticContact CD2-CH2 3.65Å; H435-W479 AromaticContact CD2-CZ3 3.92Å |
| 436 | C | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.6 | -41.8 | 174.8 | -71.2 | 0 | 0 | 0 | 0 | 112.7 | L398 G432 A433 L440 | L398-C436 HydrophobicContact CD2-CB 4.35Å; G432-C436 PolarHBondContact O-N 2.87Å; G432-C436 PolarHBondContact O-SG 3.38Å; G432-C436 VanDerWaalsContact O-SG 3.41Å; A433-C436 PolarHBondContact O-N 3.14Å; C436-L440 VanDerWaalsContact O-CG 3.28Å; C436-L440 WeakPolarHBondContact O-CG 3.49Å; C436-L440 PolarHBondContact O-N 3.24Å |
| 437 | I | 95.2 | Very high | 92.6 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.4 | -45.1 | 179.6 | -69.3 | 167.9 | 0 | 0 | 0 | 111.1 | M413 C416 L420 A433 L434 H435 L440 A441 L444 M457 F484 | M413-I437 HydrophobicContact CE-CG1 4.16Å; M413-I437 HydrophobicContact SD-CG1 4.22Å; C416-I437 HydrophobicContact CB-CD1 3.92Å; C416-I437 HydrophobicContact CB-CG1 4.04Å; L420-I437 HydrophobicContact CD1-CD1 3.58Å; A433-I437 VanDerWaalsContact O-CG1 3.24Å; A433-I437 WeakPolarHBondContact O-CG1 3.44Å; A433-I437 PolarHBondContact O-N 3.39Å; L434-I437 PolarHBondContact O-N 3.18Å; H435-I437 PolarHBondContact O-N 3.09Å; I437-L440 CarbonylContact O-C 3.5Å; I437-L440 PolarHBondContact O-N 2.92Å; I437-A441 PolarHBondContact O-N 3.32Å; I437-A441 VanDerWaalsContact O-N 3.14Å; I437-L444 HydrophobicContact CG2-CD1 4.2Å; I437-M457 HydrophobicContact CG2-CE 3.59Å; I437-F484 HydrophobicContact CG2-CE2 3.83Å; I437-F484 HydrophobicContact CG2-CZ 3.87Å |
| 438 | G | 93.3 | Very high | 92.3 | Very high | 4 Ų | 4 | 30.6 Ų | 30.6 | 4% | 0.041 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -40.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L434 H435 L440 A441 | L434-G438 PolarHBondContact O-N 3.29Å; H435-G438 PolarHBondContact O-N 3.31Å; G438-L440 PolarHBondContact O-N 3.09Å; G438-A441 WeakPolarHBondContact O-CB 3.44Å; G438-A441 PolarHBondContact O-N 3.49Å |
| 439 | A | 93.1 | Very high | 91.9 | Very high | 19 Ų | 19 | 33.2 Ų | 33.2 | 16% | 0.157 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62 | -27.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | M359 Q395 C399 H435 | M359-A439 HydrophobicContact CE-CB 4.38Å; Q395-A439 HydrophobicContact CG-CB 3.65Å; C399-A439 PolarHBondContact SG-O 2.98Å; H435-A439 WeakPolarHBondContact O-CB 3.18Å; H435-A439 PolarHBondContact O-N 3.32Å |
| 440 | L | 94 | Very high | 91.7 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 2.8 | 177.1 | -66.6 | 171.8 | 0 | 0 | 0 | 113.1 | L398 A402 L409 M412 C436 I437 G438 E442 L443 L444 | L398-L440 HydrophobicContact CD2-CD1 4.42Å; L398-L440 HydrophobicContact CG-CD2 4.4Å; A402-L440 HydrophobicContact CB-CD2 3.57Å; L409-L440 HydrophobicContact CD1-CD1 4.11Å; M412-L440 HydrophobicContact CG-CD1 4.31Å; C436-L440 VanDerWaalsContact O-CG 3.28Å; C436-L440 WeakPolarHBondContact O-CG 3.49Å; C436-L440 PolarHBondContact O-N 3.24Å; I437-L440 CarbonylContact O-C 3.5Å; I437-L440 PolarHBondContact O-N 2.92Å; G438-L440 PolarHBondContact O-N 3.09Å; L440-E442 PolarHBondContact O-N 3.22Å; L440-L443 PolarHBondContact O-N 3.39Å; L440-L443 VanDerWaalsContact O-N 3.11Å; L440-L444 HydrophobicContact CB-CD1 4.01Å; L440-L444 HydrophobicContact CB-CG 4.25Å; L440-L444 VanDerWaalsContact O-CG 3.3Å; L440-L444 WeakPolarHBondContact O-CG 3.19Å; L440-L444 PolarHBondContact O-N 3.22Å |
| 441 | A | 92.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 35.6 Ų | 35.6 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.1 | -46.4 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I437 G438 L443 L444 L445 C483 F484 | I437-A441 PolarHBondContact O-N 3.32Å; I437-A441 VanDerWaalsContact O-N 3.14Å; G438-A441 WeakPolarHBondContact O-CB 3.44Å; G438-A441 PolarHBondContact O-N 3.49Å; A441-L443 VanDerWaalsContact C-N 3.3Å; A441-L443 PolarHBondContact O-N 3.05Å; A441-L444 PolarHBondContact O-N 3.44Å; A441-L444 VanDerWaalsContact O-N 3.17Å; A441-L445 WeakPolarHBondContact O-CB 3.4Å; A441-L445 VanDerWaalsContact O-CG 3.27Å; A441-L445 WeakPolarHBondContact O-CG 3.46Å; A441-L445 PolarHBondContact O-N 2.87Å; A441-C483 HydrophobicContact CB-CB 3.8Å; A441-F484 HydrophobicContact CB-CD1 4.14Å; A441-F484 HydrophobicContact CB-CD2 4.03Å; A441-F484 HydrophobicContact CB-CE1 3.82Å; A441-F484 HydrophobicContact CB-CE2 3.69Å; A441-F484 HydrophobicContact CB-CG 4.24Å; A441-F484 HydrophobicContact CB-CZ 3.58Å |
| 442 | E | 90.2 | Very high | 91 | Very high | 102 Ų | 102 | 41.6 Ų | 41.6 | 48% | 0.477 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -54.9 | -45.3 | 178.1 | -166.1 | -151.9 | 149.1 | 0 | 0 | 111.8 | R403 L440 K446 | R403-E442 IonicContact NH2-OE1 3.15Å; R403-E442 IonicContact NH2-OE2 3.68Å; R403-E442 PolarHBondContact NH2-OE2 3.48Å; L440-E442 PolarHBondContact O-N 3.22Å; E442-K446 WeakPolarHBondContact O-CG 3.29Å; E442-K446 PolarHBondContact O-N 2.74Å; E442-K446 VanDerWaalsContact O-N 3.12Å; E442-K446 IonicContact OE1-NZ 3.54Å; E442-K446 PolarHBondContact OE1-NZ 2.9Å |
| 443 | L | 89.8 | Confident | 90.7 | Very high | 17 Ų | 17 | 47 Ų | 47 | 9% | 0.089 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.9 | -39.6 | 179.5 | -178.9 | 64 | 0 | 0 | 0 | 112.1 | A402 R403 L409 L440 A441 L445 K446 K447 | A402-L443 VanDerWaalsContact C-CD2 3.47Å; A402-L443 HydrophobicContact CB-CD2 3.71Å; R403-L443 HydrophobicContact CB-CD1 4.38Å; R403-L443 HydrophobicContact CB-CD2 4.31Å; R403-L443 HydrophobicContact CG-CD1 4.23Å; L409-L443 HydrophobicContact CD1-CD2 4.16Å; L409-L443 HydrophobicContact CD2-CD2 3.97Å; L409-L443 HydrophobicContact CD2-CG 4.19Å; L440-L443 PolarHBondContact O-N 3.39Å; L440-L443 VanDerWaalsContact O-N 3.11Å; A441-L443 VanDerWaalsContact C-N 3.3Å; A441-L443 PolarHBondContact O-N 3.05Å; L443-L445 VanDerWaalsContact C-N 3.32Å; L443-K446 PolarHBondContact O-N 3.27Å; L443-K447 PolarHBondContact O-N 2.95Å |
| 444 | L | 91.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66 | -37.2 | 177.7 | -69.2 | 169.1 | 0 | 0 | 0 | 111.5 | L409 M413 I437 L440 A441 K447 Y450 R451 M454 F484 | L409-L444 HydrophobicContact CD1-CD2 3.97Å; M413-L444 HydrophobicContact CE-CD1 4.12Å; M413-L444 HydrophobicContact CE-CD2 4.17Å; M413-L444 HydrophobicContact CG-CD2 4.11Å; M413-L444 HydrophobicContact SD-CD1 3.96Å; M413-L444 HydrophobicContact SD-CD2 3.92Å; I437-L444 HydrophobicContact CG2-CD1 4.2Å; L440-L444 HydrophobicContact CB-CD1 4.01Å; L440-L444 HydrophobicContact CB-CG 4.25Å; L440-L444 VanDerWaalsContact O-CG 3.3Å; L440-L444 WeakPolarHBondContact O-CG 3.19Å; L440-L444 PolarHBondContact O-N 3.22Å; A441-L444 PolarHBondContact O-N 3.44Å; A441-L444 VanDerWaalsContact O-N 3.17Å; L444-K447 PolarHBondContact O-N 3.22Å; L444-Y450 HydrophobicContact CD2-CD1 3.65Å; L444-Y450 HydrophobicContact CD2-CD2 4.13Å; L444-Y450 HydrophobicContact CD2-CE1 4.25Å; L444-Y450 HydrophobicContact CD2-CG 3.57Å; L444-R451 PolarHBondContact O-N 3.02Å; L444-M454 HydrophobicContact CB-SD 4.35Å; L444-M454 HydrophobicContact CD1-SD 4.16Å; L444-F484 HydrophobicContact CB-CE1 4.26Å; L444-F484 HydrophobicContact CD1-CE1 4.4Å; L444-F484 HydrophobicContact CD1-CZ 3.89Å |
| 445 | L | 89.3 | Confident | 90.2 | Very high | 23 Ų | 23 | 48.7 Ų | 48.7 | 12% | 0.12 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -70.7 | -31.1 | 175.3 | -71.5 | 174.7 | 0 | 0 | 0 | 112.1 | A441 L443 R451 F484 P486 L487 | A441-L445 WeakPolarHBondContact O-CB 3.4Å; A441-L445 VanDerWaalsContact O-CG 3.27Å; A441-L445 WeakPolarHBondContact O-CG 3.46Å; A441-L445 PolarHBondContact O-N 2.87Å; L443-L445 VanDerWaalsContact C-N 3.32Å; L445-R451 PolarHBondContact O-NE 3.44Å; L445-R451 PolarHBondContact O-NH2 3Å; L445-F484 HydrophobicContact CD1-CD1 4.31Å; L445-F484 HydrophobicContact CD2-CD1 3.98Å; L445-F484 HydrophobicContact CD2-CE1 4.48Å; L445-F484 HydrophobicContact CG-CD1 4.05Å; L445-F484 HydrophobicContact CG-CE1 4.32Å; L445-P486 HydrophobicContact CD1-CB 4.19Å; L445-P486 HydrophobicContact CD1-CG 4.2Å; L445-L487 HydrophobicContact CD2-CB 3.97Å; L445-L487 HydrophobicContact CD2-CD1 3.81Å; L445-L487 HydrophobicContact CD2-CG 4.44Å |
| 446 | K | 88.3 | Confident | 90 | Very high | 102 Ų | 102 | 50.4 Ų | 50.4 | 44% | 0.443 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -68.3 | -37.4 | 173.7 | -76.3 | 172.2 | 172.8 | 173.3 | 0 | 112.7 | E442 L443 R451 | E442-K446 WeakPolarHBondContact O-CG 3.29Å; E442-K446 PolarHBondContact O-N 2.74Å; E442-K446 VanDerWaalsContact O-N 3.12Å; E442-K446 IonicContact OE1-NZ 3.54Å; E442-K446 PolarHBondContact OE1-NZ 2.9Å; L443-K446 PolarHBondContact O-N 3.27Å; K446-R451 PolarHBondContact O-NH2 2.93Å |
| 447 | K | 87.5 | Confident | 90 | Very high | 41 Ų | 41 | 51.4 Ų | 51.4 | 18% | 0.178 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -89 | 112.6 | -176.7 | -67.5 | -170 | -178 | -172.9 | 0 | 112.9 | L409 L443 L444 I449 Y450 R451 E903 | L409-K447 HydrophobicContact CD2-CD 3.86Å; L443-K447 PolarHBondContact O-N 2.95Å; L444-K447 PolarHBondContact O-N 3.22Å; K447-I449 VanDerWaalsContact C-N 3.33Å; K447-I449 PolarHBondContact O-N 3.24Å; K447-I449 VanDerWaalsContact O-N 3.14Å; K447-Y450 HydrophobicContact CB-CD2 3.87Å; K447-Y450 HydrophobicContact CD-CD2 4.36Å; K447-Y450 HydrophobicContact CD-CE2 4.39Å; K447-Y450 PolarHBondContact O-N 3.09Å; K447-R451 PolarHBondContact O-N 3.44Å; K447-E903 IonicContact NZ-OE1 3.06Å; K447-E903 PolarHBondContact NZ-OE1 3.36Å |
| 448 | R | 85 | Confident | 89.9 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 61% | 0.611 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -48.5 | -44.8 | -176.6 | -174.2 | 177.3 | 172.2 | 173 | 2.7 | 115.1 | Y450 R451 E452 | R448-Y450 PolarHBondContact O-N 3.43Å; R448-R451 PolarHBondContact O-N 3.48Å; R448-E452 HydrophobicContact CG-CG 4.42Å; R448-E452 IonicContact CZ-OE1 3.58Å; R448-E452 IonicContact NE-OE1 2.73Å; R448-E452 PolarHBondContact NE-OE1 3.32Å; R448-E452 IonicContact NH2-OE1 2.86Å; R448-E452 PolarHBondContact NH2-OE1 3.17Å; R448-E452 PolarHBondContact O-N 3.11Å; R448-E452 VanDerWaalsContact O-N 3.13Å |
| 449 | I | 86.6 | Confident | 89.8 | Confident | 123 Ų | 123 | 55.3 Ų | 55.3 | 63% | 0.631 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -56.9 | -37.6 | -179 | -60.3 | 172.3 | 0 | 0 | 0 | 111.7 | K447 Q453 | K447-I449 VanDerWaalsContact C-N 3.33Å; K447-I449 PolarHBondContact O-N 3.24Å; K447-I449 VanDerWaalsContact O-N 3.14Å; I449-Q453 PolarHBondContact O-NE2 3.08Å |
| 450 | Y | 88.2 | Confident | 89.8 | Confident | 41 Ų | 41 | 58.7 Ų | 58.7 | 16% | 0.161 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -83 | -45.7 | 178.3 | -67.6 | -76.2 | 0 | 0 | 0 | 110.9 | L409 M413 L444 K447 R448 E452 Q453 M454 | L409-Y450 HydrophobicContact CD2-CD2 4.22Å; L409-Y450 HydrophobicContact CD2-CE2 3.67Å; L409-Y450 HydrophobicContact CG-CE2 4.21Å; M413-Y450 HydrophobicContact CB-CE1 4.23Å; M413-Y450 HydrophobicContact CG-CE1 3.93Å; L444-Y450 HydrophobicContact CD2-CD1 3.65Å; L444-Y450 HydrophobicContact CD2-CD2 4.13Å; L444-Y450 HydrophobicContact CD2-CE1 4.25Å; L444-Y450 HydrophobicContact CD2-CG 3.57Å; K447-Y450 HydrophobicContact CB-CD2 3.87Å; K447-Y450 HydrophobicContact CD-CD2 4.36Å; K447-Y450 HydrophobicContact CD-CE2 4.39Å; K447-Y450 PolarHBondContact O-N 3.09Å; R448-Y450 PolarHBondContact O-N 3.43Å; Y450-E452 VanDerWaalsContact C-N 3.28Å; Y450-E452 PolarHBondContact O-N 2.88Å; Y450-Q453 WeakPolarHBondContact O-CA 3.5Å; Y450-Q453 PolarHBondContact O-N 2.82Å; Y450-M454 VanDerWaalsContact O-CE 3.32Å; Y450-M454 WeakPolarHBondContact O-CE 3.15Å; Y450-M454 WeakPolarHBondContact O-CG 3.42Å; Y450-M454 PolarHBondContact O-N 2.99Å; Y450-M454 VanDerWaalsContact O-N 3.11Å |
| 451 | R | 86.3 | Confident | 89.8 | Confident | 81 Ų | 81 | 61.3 Ų | 61.3 | 31% | 0.306 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -47 | -48.5 | 178.7 | -170.1 | -168.6 | -64.5 | 158.3 | 0.6 | 112.5 | L444 L445 K446 K447 R448 Q453 M454 L487 E898 | L444-R451 PolarHBondContact O-N 3.02Å; L445-R451 PolarHBondContact O-NE 3.44Å; L445-R451 PolarHBondContact O-NH2 3Å; K446-R451 PolarHBondContact O-NH2 2.93Å; K447-R451 PolarHBondContact O-N 3.44Å; R448-R451 PolarHBondContact O-N 3.48Å; R451-Q453 PolarHBondContact O-N 3.3Å; R451-M454 PolarHBondContact O-N 3.47Å; R451-L487 HydrophobicContact CG-CD1 4.05Å; R451-E898 IonicContact CZ-OE1 3.74Å; R451-E898 IonicContact NH1-OE1 3.23Å; R451-E898 PolarHBondContact NH1-OE1 3.14Å |
| 452 | E | 86.2 | Confident | 89.8 | Confident | 127 Ų | 127 | 61.2 Ų | 61.2 | 59% | 0.593 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -64.3 | -22.8 | -179.6 | -68.8 | 177.9 | -177.3 | 0 | 0 | 113.6 | R448 Y450 | R448-E452 HydrophobicContact CG-CG 4.42Å; R448-E452 IonicContact CZ-OE1 3.58Å; R448-E452 IonicContact NE-OE1 2.73Å; R448-E452 PolarHBondContact NE-OE1 3.32Å; R448-E452 IonicContact NH2-OE1 2.86Å; R448-E452 PolarHBondContact NH2-OE1 3.17Å; R448-E452 PolarHBondContact O-N 3.11Å; R448-E452 VanDerWaalsContact O-N 3.13Å; Y450-E452 VanDerWaalsContact C-N 3.28Å; Y450-E452 PolarHBondContact O-N 2.88Å |
| 453 | Q | 88.9 | Confident | 90.1 | Very high | 114 Ų | 114 | 56.7 Ų | 56.7 | 53% | 0.533 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -96.9 | -15.5 | -179.3 | -64.1 | 176.8 | 54.7 | 0 | 0 | 113.3 | I449 Y450 R451 E455 S456 M457 | I449-Q453 PolarHBondContact O-NE2 3.08Å; Y450-Q453 WeakPolarHBondContact O-CA 3.5Å; Y450-Q453 PolarHBondContact O-N 2.82Å; R451-Q453 PolarHBondContact O-N 3.3Å; Q453-E455 PolarHBondContact O-N 3.17Å; Q453-S456 PolarHBondContact O-N 2.88Å; Q453-M457 PolarHBondContact O-N 3.48Å |
| 454 | M | 89.9 | Confident | 90.3 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 3% | 0.03 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66 | -38.2 | -173.3 | -69 | -53.4 | 93 | 0 | 0 | 112.4 | L444 Y450 R451 S456 M457 L458 F484 L487 | L444-M454 HydrophobicContact CB-SD 4.35Å; L444-M454 HydrophobicContact CD1-SD 4.16Å; Y450-M454 VanDerWaalsContact O-CE 3.32Å; Y450-M454 WeakPolarHBondContact O-CE 3.15Å; Y450-M454 WeakPolarHBondContact O-CG 3.42Å; Y450-M454 PolarHBondContact O-N 2.99Å; Y450-M454 VanDerWaalsContact O-N 3.11Å; R451-M454 PolarHBondContact O-N 3.47Å; M454-S456 VanDerWaalsContact C-N 3.32Å; M454-S456 PolarHBondContact O-N 3.16Å; M454-M457 WeakPolarHBondContact O-CB 3.33Å; M454-M457 PolarHBondContact O-N 3.32Å; M454-M457 VanDerWaalsContact O-N 3.09Å; M454-M457 HydrophobicContact SD-CE 3.93Å; M454-L458 WeakPolarHBondContact O-CG 3.29Å; M454-L458 PolarHBondContact O-N 3.25Å; M454-F484 HydrophobicContact CB-CD1 4.36Å; M454-F484 HydrophobicContact CB-CE1 4.29Å; M454-F484 HydrophobicContact CG-CD1 4.24Å; M454-F484 HydrophobicContact CG-CE1 3.73Å; M454-F484 HydrophobicContact SD-CE1 3.76Å; M454-F484 HydrophobicContact SD-CZ 3.97Å; M454-L487 HydrophobicContact CB-CD2 3.98Å |
| 455 | E | 89.6 | Confident | 90.4 | Very high | 29 Ų | 29 | 60.7 Ų | 60.7 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.5 | -45.8 | 176.9 | -176.6 | 169.9 | 163.4 | 0 | 0 | 111.5 | Q453 M457 L458 Q459 L487 F489 H490 N491 V494 | Q453-E455 PolarHBondContact O-N 3.17Å; E455-M457 PolarHBondContact O-N 3.12Å; E455-L458 PolarHBondContact O-N 3.35Å; E455-Q459 WeakPolarHBondContact O-CB 3.32Å; E455-Q459 PolarHBondContact O-N 2.7Å; E455-L487 HydrophobicContact CB-CD2 4.34Å; E455-F489 HydrophobicContact CG-CD1 3.83Å; E455-F489 HydrophobicContact CG-CE1 4.29Å; E455-H490 IonicContact OE2-CG 2.8Å; E455-H490 PolarHBondContact OE2-N 3.32Å; E455-H490 IonicContact OE2-ND1 3.89Å; E455-H490 PolarHBondContact OE2-ND1 3.5Å; E455-N491 WeakPolarHBondContact OE1-CB 3.45Å; E455-N491 PolarHBondContact OE1-N 3.05Å; E455-V494 HydrophobicContact CG-CG1 4.25Å |
| 456 | S | 90.9 | Very high | 90.6 | Very high | 61 Ų | 61 | 59.6 Ų | 59.6 | 43% | 0.427 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.9 | -36.7 | 175.8 | -179.2 | 0 | 0 | 0 | 0 | 112.4 | Q453 M454 Q459 N460 | Q453-S456 PolarHBondContact O-N 2.88Å; M454-S456 VanDerWaalsContact C-N 3.32Å; M454-S456 PolarHBondContact O-N 3.16Å; S456-Q459 PolarHBondContact O-N 3.42Å; S456-N460 VanDerWaalsContact O-CB 3.31Å; S456-N460 WeakPolarHBondContact O-CB 3.24Å; S456-N460 VanDerWaalsContact O-CG 3.26Å; S456-N460 PolarHBondContact O-N 3.2Å; S456-N460 PolarHBondContact O-ND2 3.32Å; S456-N460 PolarHBondContact OG-ND2 3.44Å |
| 457 | M | 93.3 | Very high | 90.9 | Very high | 20 Ų | 20 | 59.1 Ų | 59.1 | 10% | 0.099 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -46.6 | 176.9 | -174.1 | -78.8 | -68 | 0 | 0 | 111.3 | I437 Q453 M454 E455 Q459 N460 Y461 V462 F484 | I437-M457 HydrophobicContact CG2-CE 3.59Å; Q453-M457 PolarHBondContact O-N 3.48Å; M454-M457 WeakPolarHBondContact O-CB 3.33Å; M454-M457 PolarHBondContact O-N 3.32Å; M454-M457 VanDerWaalsContact O-N 3.09Å; M454-M457 HydrophobicContact SD-CE 3.93Å; E455-M457 PolarHBondContact O-N 3.12Å; M457-Q459 VanDerWaalsContact C-N 3.34Å; M457-Q459 PolarHBondContact O-N 3.01Å; M457-N460 PolarHBondContact O-N 2.99Å; M457-Y461 HydrophobicContact CG-CD2 4.07Å; M457-Y461 WeakPolarHBondContact O-CD2 3.18Å; M457-Y461 PolarHBondContact O-N 3.16Å; M457-V462 HydrophobicContact SD-CG2 4.29Å; M457-F484 HydrophobicContact CE-CE2 4.29Å; M457-F484 HydrophobicContact CE-CZ 4.37Å |
| 458 | L | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | I | π-helix | trans | -59.5 | -46.1 | 176 | -65.7 | 177.2 | 0 | 0 | 0 | 110.9 | M454 E455 N460 V462 F463 V480 L481 F484 L487 F489 | M454-L458 WeakPolarHBondContact O-CG 3.29Å; M454-L458 PolarHBondContact O-N 3.25Å; E455-L458 PolarHBondContact O-N 3.35Å; L458-N460 PolarHBondContact O-N 3.14Å; L458-V462 HydrophobicContact CD2-CB 4.23Å; L458-V462 HydrophobicContact CD2-CG2 3.74Å; L458-V462 WeakPolarHBondContact O-CA 3.39Å; L458-V462 WeakPolarHBondContact O-CB 3.47Å; L458-V462 PolarHBondContact O-N 3.43Å; L458-F463 HydrophobicContact CB-CE1 4.2Å; L458-F463 WeakPolarHBondContact O-CD1 3.43Å; L458-F463 PolarHBondContact O-N 3.33Å; L458-V480 HydrophobicContact CD2-CG1 3.91Å; L458-L481 HydrophobicContact CB-CD2 4.48Å; L458-L481 HydrophobicContact CD1-CD2 4.14Å; L458-L481 HydrophobicContact CD2-CD2 4.06Å; L458-L481 HydrophobicContact CG-CD2 4.45Å; L458-F484 HydrophobicContact CD1-CB 4.04Å; L458-F484 HydrophobicContact CD2-CD2 4.18Å; L458-F484 HydrophobicContact CD2-CG 4.49Å; L458-L487 HydrophobicContact CD1-CD2 4.06Å; L458-F489 HydrophobicContact CD1-CE1 4.14Å; L458-F489 HydrophobicContact CD1-CZ 3.9Å |
| 459 | Q | 92.6 | Very high | 91.5 | Very high | 88 Ų | 88 | 55.5 Ų | 55.5 | 41% | 0.411 | 29% | 0.287 | S | S | . | . | I | π-helix | trans | -63.5 | -43.7 | 179.9 | -173 | -179.8 | 16.7 | 0 | 0 | 113.1 | E455 S456 M457 F463 | E455-Q459 WeakPolarHBondContact O-CB 3.32Å; E455-Q459 PolarHBondContact O-N 2.7Å; S456-Q459 PolarHBondContact O-N 3.42Å; M457-Q459 VanDerWaalsContact C-N 3.34Å; M457-Q459 PolarHBondContact O-N 3.01Å; Q459-F463 HydrophobicContact CB-CD2 4.33Å; Q459-F463 HydrophobicContact CB-CE2 4.33Å; Q459-F463 HydrophobicContact CG-CD2 4.19Å; Q459-F463 HydrophobicContact CG-CE2 4.36Å |
| 460 | N | 92.4 | Very high | 91.8 | Very high | 90 Ų | 90 | 53.9 Ų | 53.9 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -81.6 | -31.1 | -172.8 | -70.9 | -43.8 | 0 | 0 | 0 | 113.4 | S456 M457 L458 | S456-N460 VanDerWaalsContact O-CB 3.31Å; S456-N460 WeakPolarHBondContact O-CB 3.24Å; S456-N460 VanDerWaalsContact O-CG 3.26Å; S456-N460 PolarHBondContact O-N 3.2Å; S456-N460 PolarHBondContact O-ND2 3.32Å; S456-N460 PolarHBondContact OG-ND2 3.44Å; M457-N460 PolarHBondContact O-N 2.99Å; L458-N460 PolarHBondContact O-N 3.14Å |
| 461 | Y | 93.3 | Very high | 92 | Very high | 57 Ų | 57 | 52.1 Ų | 52.1 | 22% | 0.224 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -117.9 | -37.3 | -171.9 | -58 | -71 | 0 | 0 | 0 | 113.8 | H417 L420 M457 L465 | H417-Y461 PolarHBondContact CE1-OH 3.32Å; L420-Y461 HydrophobicContact CB-CD1 3.72Å; L420-Y461 HydrophobicContact CB-CE1 4.04Å; L420-Y461 HydrophobicContact CB-CG 4.08Å; L420-Y461 HydrophobicContact CD1-CG 4.37Å; L420-Y461 WeakPolarHBondContact O-CE1 3.49Å; M457-Y461 HydrophobicContact CG-CD2 4.07Å; M457-Y461 WeakPolarHBondContact O-CD2 3.18Å; M457-Y461 PolarHBondContact O-N 3.16Å; Y461-L465 VanDerWaalsContact O-CD1 3.24Å; Y461-L465 WeakPolarHBondContact O-CD1 3.3Å; Y461-L465 VanDerWaalsContact O-CG 3.25Å; Y461-L465 WeakPolarHBondContact O-CG 3.48Å |
| 462 | V | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | I | π-helix | trans | -85.1 | -46.8 | -176 | -177.1 | 0 | 0 | 0 | 0 | 111.5 | L434 M457 L458 L465 L466 S477 V480 L481 | L434-V462 HydrophobicContact CD2-CG2 3.88Å; M457-V462 HydrophobicContact SD-CG2 4.29Å; L458-V462 HydrophobicContact CD2-CB 4.23Å; L458-V462 HydrophobicContact CD2-CG2 3.74Å; L458-V462 WeakPolarHBondContact O-CA 3.39Å; L458-V462 WeakPolarHBondContact O-CB 3.47Å; L458-V462 PolarHBondContact O-N 3.43Å; V462-L465 PolarHBondContact O-N 3.22Å; V462-L466 PolarHBondContact O-N 3.49Å; V462-L466 VanDerWaalsContact O-N 3.16Å; V462-S477 WeakPolarHBondContact CG1-O 3.35Å; V462-V480 HydrophobicContact CG2-CG1 4Å; V462-L481 HydrophobicContact CG1-CD2 4.24Å; V462-L481 HydrophobicContact CG1-CG 4.07Å |
| 463 | F | 94.6 | Very high | 92.8 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.8 | -40.4 | -177.5 | -67 | 4.1 | 0 | 0 | 0 | 114.1 | L458 Q459 L465 L466 L481 F489 V494 N497 A498 L501 | L458-F463 HydrophobicContact CB-CE1 4.2Å; L458-F463 WeakPolarHBondContact O-CD1 3.43Å; L458-F463 PolarHBondContact O-N 3.33Å; Q459-F463 HydrophobicContact CB-CD2 4.33Å; Q459-F463 HydrophobicContact CB-CE2 4.33Å; Q459-F463 HydrophobicContact CG-CD2 4.19Å; Q459-F463 HydrophobicContact CG-CE2 4.36Å; F463-L465 VanDerWaalsContact C-N 3.27Å; F463-L465 PolarHBondContact O-N 3.34Å; F463-L466 HydrophobicContact CD1-CD1 4.36Å; F463-L466 PolarHBondContact O-N 3.13Å; F463-L481 HydrophobicContact CD1-CD2 4.41Å; F463-L481 HydrophobicContact CE1-CD2 3.82Å; F463-F489 HydrophobicContact CZ-CE1 4.33Å; F463-V494 HydrophobicContact CE2-CG1 3.66Å; F463-V494 HydrophobicContact CZ-CG1 3.78Å; F463-N497 WeakPolarHBondContact CD2-ND2 3.31Å; F463-N497 HydrophobicContact CE2-CB 4.45Å; F463-A498 HydrophobicContact CE1-CB 3.85Å; F463-A498 HydrophobicContact CE2-CB 4.35Å; F463-A498 HydrophobicContact CZ-CB 3.58Å; F463-L501 HydrophobicContact CB-CD1 3.87Å; F463-L501 HydrophobicContact CD2-CD1 4.46Å; F463-L501 HydrophobicContact CG-CD1 4.11Å |
| 464 | P | 94.3 | Very high | 93.1 | Very high | 75 Ų | 75 | 39.1 Ų | 39.1 | 49% | 0.487 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -33.4 | 174.7 | -23.8 | 36.2 | 0 | 0 | 0 | 112.8 | L466 N467 | P464-L466 VanDerWaalsContact C-N 3.34Å; P464-N467 PolarHBondContact O-N 3.26Å |
| 465 | L | 94.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -76.2 | -20.5 | -178.3 | -67.5 | 176.6 | 0 | 0 | 0 | 113.1 | L434 Y461 V462 F463 N467 S468 L473 S477 | L434-L465 HydrophobicContact CD1-CD1 3.73Å; Y461-L465 VanDerWaalsContact O-CD1 3.24Å; Y461-L465 WeakPolarHBondContact O-CD1 3.3Å; Y461-L465 VanDerWaalsContact O-CG 3.25Å; Y461-L465 WeakPolarHBondContact O-CG 3.48Å; V462-L465 PolarHBondContact O-N 3.22Å; F463-L465 VanDerWaalsContact C-N 3.27Å; F463-L465 PolarHBondContact O-N 3.34Å; L465-N467 PolarHBondContact O-N 2.97Å; L465-S468 WeakPolarHBondContact O-CB 3.44Å; L465-S468 PolarHBondContact O-N 3.35Å; L465-L473 HydrophobicContact CD2-CD1 4.34Å; L465-S477 VanDerWaalsContact CB-OG 3.27Å; L465-S477 WeakPolarHBondContact CB-OG 2.99Å |
| 466 | L | 94.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.8 | 168.3 | -70 | 166.7 | 0 | 0 | 0 | 112.9 | V462 F463 P464 R474 C478 L481 L501 N505 | V462-L466 PolarHBondContact O-N 3.49Å; V462-L466 VanDerWaalsContact O-N 3.16Å; F463-L466 HydrophobicContact CD1-CD1 4.36Å; F463-L466 PolarHBondContact O-N 3.13Å; P464-L466 VanDerWaalsContact C-N 3.34Å; L466-R474 WeakPolarHBondContact O-CD 3.37Å; L466-R474 WeakPolarHBondContact O-CG 3.21Å; L466-C478 VanDerWaalsContact CD2-SG 3.55Å; L466-L481 HydrophobicContact CD1-CD1 3.71Å; L466-L501 HydrophobicContact CB-CB 4.36Å; L466-L501 HydrophobicContact CD1-CB 3.73Å; L466-L501 HydrophobicContact CD1-CD1 3.98Å; L466-L501 HydrophobicContact CD1-CG 4.48Å; L466-N505 WeakPolarHBondContact CD2-ND2 3.48Å; L466-N505 PolarHBondContact O-ND2 3.33Å; L466-N505 PolarHBondContact O-OD1 2.9Å |
| 467 | N | 94.1 | Very high | 93.8 | Very high | 92 Ų | 92 | 35.6 Ų | 35.6 | 49% | 0.492 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 15.1 | 173.9 | -66.2 | -68.1 | 0 | 0 | 0 | 112.8 | P464 L465 L501 | P464-N467 PolarHBondContact O-N 3.26Å; L465-N467 PolarHBondContact O-N 2.97Å; N467-L501 WeakPolarHBondContact ND2-CD2 3.27Å |
| 468 | S | 93.2 | Very high | 93.9 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | trans | -61.1 | 145.6 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | L465 M470 R474 | L465-S468 WeakPolarHBondContact O-CB 3.44Å; L465-S468 PolarHBondContact O-N 3.35Å; S468-M470 PolarHBondContact O-N 3.02Å; S468-M470 PolarHBondContact OG-N 3.5Å; S468-R474 VanDerWaalsContact O-CD 3.31Å; S468-R474 WeakPolarHBondContact O-CD 3.3Å; S468-R474 PolarHBondContact O-NH1 3.17Å | ||
| 469 | P | 91.8 | Very high | 94 | Very high | 113 Ų | 113 | 36.6 Ų | 36.6 | 73% | 0.734 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -64.7 | -17.5 | 171.1 | 27.9 | -35.3 | 0 | 0 | 0 | 113 | R474 | P469-R474 PolarHBondContact O-NH1 3.14Š|
| 470 | M | 92.8 | Very high | 94.2 | Very high | 88 Ų | 88 | 32.4 Ų | 32.4 | 43% | 0.433 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -94.6 | 122.6 | -177.5 | -56.4 | -63.2 | 160.1 | 0 | 0 | 111.3 | S468 Y472 L473 R474 | S468-M470 PolarHBondContact O-N 3.02Å; S468-M470 PolarHBondContact OG-N 3.5Å; M470-Y472 HydrophobicContact CB-CD1 4.11Å; M470-Y472 HydrophobicContact CB-CE1 3.68Å; M470-Y472 HydrophobicContact CG-CE1 4.16Å; M470-Y472 HydrophobicContact SD-CE1 4.47Å; M470-L473 HydrophobicContact CB-CB 4.4Å; M470-L473 HydrophobicContact CB-CD1 4.19Å; M470-L473 HydrophobicContact CB-CG 4.39Å; M470-L473 PolarHBondContact O-N 3.34Å; M470-R474 PolarHBondContact O-N 3Å |
| 471 | G | 92.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 28.2 Ų | 28.2 | 4% | 0.041 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -57.8 | -49.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | L473 R474 A475 E511 V514 | G471-L473 PolarHBondContact O-N 3.27Å; G471-L473 VanDerWaalsContact O-N 3.16Å; G471-R474 WeakPolarHBondContact O-CA 3.46Å; G471-R474 WeakPolarHBondContact O-CB 3.19Å; G471-R474 PolarHBondContact O-N 2.95Å; G471-A475 PolarHBondContact O-N 3.37Å; G471-E511 WeakPolarHBondContact CA-OE2 3.29Å; G471-E511 PolarHBondContact N-OE2 3.13Å; G471-V514 WeakPolarHBondContact O-CG2 3.37Å |
| 472 | Y | 93.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 28.3 Ų | 28.3 | 8% | 0.075 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -32.4 | -178.9 | 68.9 | -91.7 | 0 | 0 | 0 | 113 | Y361 P427 D431 M470 R476 | Y361-Y472 HydrophobicContact CD1-CD1 4.17Å; Y361-Y472 HydrophobicContact CD1-CD2 4.12Å; Y361-Y472 HydrophobicContact CD1-CE1 4.31Å; Y361-Y472 HydrophobicContact CD1-CE2 4.26Å; Y361-Y472 HydrophobicContact CD1-CG 4.08Å; Y361-Y472 HydrophobicContact CD2-CD2 4.1Å; Y361-Y472 HydrophobicContact CD2-CG 4.06Å; Y361-Y472 AromaticContact CE1-CD1 3.9Å; Y361-Y472 HydrophobicContact CE1-CD1 3.9Å; Y361-Y472 HydrophobicContact CE1-CE1 4.28Å; Y361-Y472 HydrophobicContact CE1-CG 4.06Å; Y361-Y472 HydrophobicContact CE2-CG 4.05Å; Y361-Y472 AromaticContact CG-CD2 3.86Å; Y361-Y472 HydrophobicContact CG-CD2 3.86Å; Y361-Y472 HydrophobicContact CG-CE2 4.25Å; Y361-Y472 HydrophobicContact CG-CG 4.06Å; P427-Y472 WeakPolarHBondContact CB-OH 3.23Å; D431-Y472 HydrophobicContact CB-CD2 4.21Å; D431-Y472 HydrophobicContact CB-CE2 4.11Å; M470-Y472 HydrophobicContact CB-CD1 4.11Å; M470-Y472 HydrophobicContact CB-CE1 3.68Å; M470-Y472 HydrophobicContact CG-CE1 4.16Å; M470-Y472 HydrophobicContact SD-CE1 4.47Å; Y472-R476 VanDerWaalsContact O-CB 3.31Å; Y472-R476 WeakPolarHBondContact O-CB 3.4Å; Y472-R476 PolarHBondContact O-N 3.33Å |
| 473 | L | 94.8 | Very high | 94 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.026 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -71.5 | -37.1 | 174.6 | -76.3 | 176.9 | 0 | 0 | 0 | 112.6 | P427 D431 L465 M470 G471 S477 | P427-L473 HydrophobicContact CB-CD1 4.02Å; D431-L473 HydrophobicContact CB-CD2 3.84Å; L465-L473 HydrophobicContact CD2-CD1 4.34Å; M470-L473 HydrophobicContact CB-CB 4.4Å; M470-L473 HydrophobicContact CB-CD1 4.19Å; M470-L473 HydrophobicContact CB-CG 4.39Å; M470-L473 PolarHBondContact O-N 3.34Å; G471-L473 PolarHBondContact O-N 3.27Å; G471-L473 VanDerWaalsContact O-N 3.16Å; L473-S477 VanDerWaalsContact O-CB 3.29Å; L473-S477 WeakPolarHBondContact O-CB 3.38Å; L473-S477 PolarHBondContact O-N 3.12Å; L473-S477 PolarHBondContact O-OG 3.36Å |
| 474 | R | 96.2 | Very high | 93.9 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 10% | 0.098 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -47.6 | 174.1 | -62.5 | -164.4 | -61.6 | -76.9 | -0.7 | 110.2 | L466 S468 P469 M470 G471 R476 S477 C478 D509 E511 V514 | L466-R474 WeakPolarHBondContact O-CD 3.37Å; L466-R474 WeakPolarHBondContact O-CG 3.21Å; S468-R474 VanDerWaalsContact O-CD 3.31Å; S468-R474 WeakPolarHBondContact O-CD 3.3Å; S468-R474 PolarHBondContact O-NH1 3.17Å; P469-R474 PolarHBondContact O-NH1 3.14Å; M470-R474 PolarHBondContact O-N 3Å; G471-R474 WeakPolarHBondContact O-CA 3.46Å; G471-R474 WeakPolarHBondContact O-CB 3.19Å; G471-R474 PolarHBondContact O-N 2.95Å; R474-R476 PolarHBondContact O-N 3.13Å; R474-S477 WeakPolarHBondContact O-CB 3.42Å; R474-S477 PolarHBondContact O-N 3.45Å; R474-S477 VanDerWaalsContact O-N 3.16Å; R474-C478 PolarHBondContact O-N 3.49Å; R474-C478 PolarHBondContact O-SG 3.28Å; R474-D509 IonicContact CZ-OD2 3.49Å; R474-D509 VanDerWaalsContact CZ-OD2 3.23Å; R474-D509 IonicContact NE-OD2 2.94Å; R474-D509 PolarHBondContact NE-OD2 3.16Å; R474-D509 IonicContact NH2-OD1 2.88Å; R474-D509 PolarHBondContact NH2-OD1 3.42Å; R474-D509 IonicContact NH2-OD2 3.15Å; R474-D509 PolarHBondContact NH2-OD2 2.8Å; R474-E511 IonicContact CZ-OE2 3.18Å; R474-E511 IonicContact NH1-OE2 2.89Å; R474-E511 IonicContact NH2-OE2 3.85Å; R474-E511 PolarHBondContact NH2-OE2 3.39Å; R474-V514 HydrophobicContact CB-CG1 3.81Å; R474-V514 HydrophobicContact CB-CG2 4.18Å |
| 475 | A | 94.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W369 G471 S477 C478 W479 V514 E517 | W369-A475 HydrophobicContact CH2-CB 3.88Å; W369-A475 HydrophobicContact CZ3-CB 4.48Å; G471-A475 PolarHBondContact O-N 3.37Å; A475-S477 VanDerWaalsContact C-N 3.27Å; A475-S477 PolarHBondContact O-N 3.29Å; A475-C478 WeakPolarHBondContact O-CB 3.31Å; A475-C478 PolarHBondContact O-N 3.42Å; A475-W479 PolarHBondContact O-N 3.49Å; A475-V514 HydrophobicContact CB-CG2 4.1Å; A475-E517 HydrophobicContact CB-CB 4.5Å; A475-E517 HydrophobicContact CB-CG 4.2Å |
| 476 | R | 95 | Very high | 93 | Very high | 20 Ų | 20 | 28.9 Ų | 28.9 | 8% | 0.075 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -37.5 | 176.1 | -177.5 | 62.4 | 63.4 | -168 | 2.1 | 112.3 | D431 L434 H435 Y472 R474 W479 V480 | D431-R476 VanDerWaalsContact OD1-CB 3.3Å; D431-R476 WeakPolarHBondContact OD1-CB 3.34Å; D431-R476 WeakPolarHBondContact OD1-CG 3.48Å; D431-R476 IonicContact OD1-CZ 2.76Å; D431-R476 IonicContact OD1-NE 3.22Å; D431-R476 PolarHBondContact OD1-NE 3.03Å; D431-R476 IonicContact OD1-NH2 2.79Å; L434-R476 HydrophobicContact CB-CG 3.71Å; L434-R476 HydrophobicContact CD1-CG 4.08Å; H435-R476 PolarHBondContact CD2-NH1 3.39Å; Y472-R476 VanDerWaalsContact O-CB 3.31Å; Y472-R476 WeakPolarHBondContact O-CB 3.4Å; Y472-R476 PolarHBondContact O-N 3.33Å; R474-R476 PolarHBondContact O-N 3.13Å; R476-W479 WeakPolarHBondContact O-CB 3.37Å; R476-W479 PolarHBondContact O-N 3.38Å; R476-V480 WeakPolarHBondContact O-CG2 3.26Å; R476-V480 PolarHBondContact O-N 3.47Å |
| 477 | S | 96 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.9 | -40.4 | 178.8 | -60.5 | 0 | 0 | 0 | 0 | 111.8 | V462 L465 L473 R474 A475 V480 L481 | V462-S477 WeakPolarHBondContact CG1-O 3.35Å; L465-S477 VanDerWaalsContact CB-OG 3.27Å; L465-S477 WeakPolarHBondContact CB-OG 2.99Å; L473-S477 VanDerWaalsContact O-CB 3.29Å; L473-S477 WeakPolarHBondContact O-CB 3.38Å; L473-S477 PolarHBondContact O-N 3.12Å; L473-S477 PolarHBondContact O-OG 3.36Å; R474-S477 WeakPolarHBondContact O-CB 3.42Å; R474-S477 PolarHBondContact O-N 3.45Å; R474-S477 VanDerWaalsContact O-N 3.16Å; A475-S477 VanDerWaalsContact C-N 3.27Å; A475-S477 PolarHBondContact O-N 3.29Å; S477-V480 PolarHBondContact O-N 3.44Å; S477-L481 PolarHBondContact O-N 3.35Å; S477-L481 VanDerWaalsContact O-N 3.08Å |
| 478 | C | 96 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 170.8 | -67.2 | 0 | 0 | 0 | 0 | 111 | L466 R474 A475 V480 L481 H482 E517 A521 | L466-C478 VanDerWaalsContact CD2-SG 3.55Å; R474-C478 PolarHBondContact O-N 3.49Å; R474-C478 PolarHBondContact O-SG 3.28Å; A475-C478 WeakPolarHBondContact O-CB 3.31Å; A475-C478 PolarHBondContact O-N 3.42Å; C478-V480 PolarHBondContact O-N 3.44Å; C478-L481 WeakPolarHBondContact O-CB 3.42Å; C478-L481 PolarHBondContact O-N 2.9Å; C478-L481 VanDerWaalsContact O-N 3.1Å; C478-H482 PolarHBondContact O-N 3.19Å; C478-E517 HydrophobicContact CB-CB 3.77Å; C478-A521 HydrophobicContact CB-CB 4.25Å; C478-A521 WeakPolarHBondContact O-CB 3.35Å |
| 479 | W | 94.9 | Very high | 91.5 | Very high | 42 Ų | 42 | 29 Ų | 29 | 16% | 0.159 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -43.9 | 176.8 | 178.7 | 82.2 | 0 | 0 | 0 | 112.7 | H435 A475 R476 L481 H482 C483 E517 | H435-W479 AromaticContact CD2-CH2 3.65Å; H435-W479 AromaticContact CD2-CZ3 3.92Å; A475-W479 PolarHBondContact O-N 3.49Å; R476-W479 WeakPolarHBondContact O-CB 3.37Å; R476-W479 PolarHBondContact O-N 3.38Å; W479-L481 VanDerWaalsContact C-N 3.34Å; W479-L481 PolarHBondContact O-N 3.35Å; W479-H482 WeakPolarHBondContact O-CB 3.42Å; W479-H482 PolarHBondContact O-N 3.01Å; W479-C483 VanDerWaalsContact CE2-SG 3.51Å; W479-C483 VanDerWaalsContact CZ2-SG 3.58Å; W479-C483 PolarHBondContact O-N 2.88Å; W479-C483 PolarHBondContact O-SG 2.83Å; W479-E517 WeakPolarHBondContact CB-OE2 3.38Å |
| 480 | V | 95 | Very high | 91 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.2 | -41.6 | 175.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | L434 L458 V462 R476 S477 C478 H482 C483 F484 | L434-V480 HydrophobicContact CB-CG2 3.9Å; L434-V480 HydrophobicContact CD2-CG2 4.47Å; L434-V480 WeakPolarHBondContact O-CG2 3.29Å; L458-V480 HydrophobicContact CD2-CG1 3.91Å; V462-V480 HydrophobicContact CG2-CG1 4Å; R476-V480 WeakPolarHBondContact O-CG2 3.26Å; R476-V480 PolarHBondContact O-N 3.47Å; S477-V480 PolarHBondContact O-N 3.44Å; C478-V480 PolarHBondContact O-N 3.44Å; V480-H482 VanDerWaalsContact C-N 3.3Å; V480-H482 PolarHBondContact O-N 3.19Å; V480-C483 PolarHBondContact O-N 3.35Å; V480-F484 HydrophobicContact CG1-CD2 3.82Å; V480-F484 HydrophobicContact CG1-CE2 4.01Å; V480-F484 WeakPolarHBondContact O-CD2 3.22Å; V480-F484 PolarHBondContact O-N 3.31Å |
| 481 | L | 93.4 | Very high | 90.7 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -39.6 | 175.7 | -71.7 | 179.6 | 0 | 0 | 0 | 112.4 | L458 V462 F463 L466 S477 C478 W479 F484 S485 V502 | L458-L481 HydrophobicContact CB-CD2 4.48Å; L458-L481 HydrophobicContact CD1-CD2 4.14Å; L458-L481 HydrophobicContact CD2-CD2 4.06Å; L458-L481 HydrophobicContact CG-CD2 4.45Å; V462-L481 HydrophobicContact CG1-CD2 4.24Å; V462-L481 HydrophobicContact CG1-CG 4.07Å; F463-L481 HydrophobicContact CD1-CD2 4.41Å; F463-L481 HydrophobicContact CE1-CD2 3.82Å; L466-L481 HydrophobicContact CD1-CD1 3.71Å; S477-L481 PolarHBondContact O-N 3.35Å; S477-L481 VanDerWaalsContact O-N 3.08Å; C478-L481 WeakPolarHBondContact O-CB 3.42Å; C478-L481 PolarHBondContact O-N 2.9Å; C478-L481 VanDerWaalsContact O-N 3.1Å; W479-L481 VanDerWaalsContact C-N 3.34Å; W479-L481 PolarHBondContact O-N 3.35Å; L481-F484 CarbonylContact O-C 3.58Å; L481-F484 PolarHBondContact O-N 3.48Å; L481-S485 PolarHBondContact O-N 3.13Å; L481-V502 HydrophobicContact CD1-CG2 3.48Å; L481-V502 VanDerWaalsContact CD1-CG2 3.48Å |
| 482 | H | 91.9 | Very high | 90.3 | Very high | 59 Ų | 59 | 36.5 Ų | 36.5 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 171.8 | 164.1 | 63.9 | 0 | 0 | 0 | 111.6 | C478 W479 V480 F484 S485 A521 T524 | C478-H482 PolarHBondContact O-N 3.19Å; W479-H482 WeakPolarHBondContact O-CB 3.42Å; W479-H482 PolarHBondContact O-N 3.01Å; V480-H482 VanDerWaalsContact C-N 3.3Å; V480-H482 PolarHBondContact O-N 3.19Å; H482-F484 PolarHBondContact O-N 3.3Å; H482-S485 WeakPolarHBondContact O-CB 3.37Å; H482-S485 PolarHBondContact O-N 3.46Å; H482-S485 PolarHBondContact O-OG 3.22Å; H482-A521 HydrophobicContact CB-CB 4.14Å; H482-T524 VanDerWaalsContact ND1-CG2 3.31Å; H482-T524 WeakPolarHBondContact ND1-CG2 3.17Å; H482-T524 PolarHBondContact ND1-OG1 3.49Å |
| 483 | C | 91.6 | Very high | 90.1 | Very high | 27 Ų | 27 | 41.7 Ų | 41.7 | 18% | 0.182 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.3 | -32.8 | 179 | -63 | 0 | 0 | 0 | 0 | 113.4 | A441 W479 V480 | A441-C483 HydrophobicContact CB-CB 3.8Å; W479-C483 VanDerWaalsContact CE2-SG 3.51Å; W479-C483 VanDerWaalsContact CZ2-SG 3.58Å; W479-C483 PolarHBondContact O-N 2.88Å; W479-C483 PolarHBondContact O-SG 2.83Å; V480-C483 PolarHBondContact O-N 3.35Å |
| 484 | F | 91.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 0% | 0.004 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 11.7 | 176.3 | -73.1 | -83.1 | 0 | 0 | 0 | 113.5 | I437 A441 L444 L445 M454 M457 L458 V480 L481 H482 P486 L487 | I437-F484 HydrophobicContact CG2-CE2 3.83Å; I437-F484 HydrophobicContact CG2-CZ 3.87Å; A441-F484 HydrophobicContact CB-CD1 4.14Å; A441-F484 HydrophobicContact CB-CD2 4.03Å; A441-F484 HydrophobicContact CB-CE1 3.82Å; A441-F484 HydrophobicContact CB-CE2 3.69Å; A441-F484 HydrophobicContact CB-CG 4.24Å; A441-F484 HydrophobicContact CB-CZ 3.58Å; L444-F484 HydrophobicContact CB-CE1 4.26Å; L444-F484 HydrophobicContact CD1-CE1 4.4Å; L444-F484 HydrophobicContact CD1-CZ 3.89Å; L445-F484 HydrophobicContact CD1-CD1 4.31Å; L445-F484 HydrophobicContact CD2-CD1 3.98Å; L445-F484 HydrophobicContact CD2-CE1 4.48Å; L445-F484 HydrophobicContact CG-CD1 4.05Å; L445-F484 HydrophobicContact CG-CE1 4.32Å; M454-F484 HydrophobicContact CB-CD1 4.36Å; M454-F484 HydrophobicContact CB-CE1 4.29Å; M454-F484 HydrophobicContact CG-CD1 4.24Å; M454-F484 HydrophobicContact CG-CE1 3.73Å; M454-F484 HydrophobicContact SD-CE1 3.76Å; M454-F484 HydrophobicContact SD-CZ 3.97Å; M457-F484 HydrophobicContact CE-CE2 4.29Å; M457-F484 HydrophobicContact CE-CZ 4.37Å; L458-F484 HydrophobicContact CD1-CB 4.04Å; L458-F484 HydrophobicContact CD2-CD2 4.18Å; L458-F484 HydrophobicContact CD2-CG 4.49Å; V480-F484 HydrophobicContact CG1-CD2 3.82Å; V480-F484 HydrophobicContact CG1-CE2 4.01Å; V480-F484 WeakPolarHBondContact O-CD2 3.22Å; V480-F484 PolarHBondContact O-N 3.31Å; L481-F484 CarbonylContact O-C 3.58Å; L481-F484 PolarHBondContact O-N 3.48Å; H482-F484 PolarHBondContact O-N 3.3Å; F484-P486 VanDerWaalsContact C-N 3.29Å; F484-L487 WeakPolarHBondContact O-CB 3.45Å; F484-L487 PolarHBondContact O-N 3.32Å |
| 485 | S | 84.8 | Confident | 89.6 | Confident | 9 Ų | 9 | 40.7 Ų | 40.7 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.5 | 179.5 | 64.5 | 0 | 0 | 0 | 0 | 115.3 | L481 H482 L487 N528 | L481-S485 PolarHBondContact O-N 3.13Å; H482-S485 WeakPolarHBondContact O-CB 3.37Å; H482-S485 PolarHBondContact O-N 3.46Å; H482-S485 PolarHBondContact O-OG 3.22Å; S485-L487 PolarHBondContact O-N 3.02Å; S485-N528 WeakPolarHBondContact CB-ND2 3.42Å; S485-N528 PolarHBondContact O-ND2 3.24Å; S485-N528 PolarHBondContact OG-ND2 2.89Å |
| 486 | P | 86.1 | Confident | 89.5 | Confident | 82 Ų | 82 | 47.7 Ų | 47.7 | 53% | 0.532 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.1 | 172.3 | -18 | 32.7 | 0 | 0 | 0 | 113.6 | L445 F484 C488 | L445-P486 HydrophobicContact CD1-CB 4.19Å; L445-P486 HydrophobicContact CD1-CG 4.2Å; F484-P486 VanDerWaalsContact C-N 3.29Å; P486-C488 PolarHBondContact O-N 3.08Å |
| 487 | L | 85.6 | Confident | 89.4 | Confident | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -71.2 | 113.1 | 173.7 | -173.1 | 70.9 | 0 | 0 | 0 | 109.9 | L445 R451 M454 E455 L458 F484 S485 F489 Q529 | L445-L487 HydrophobicContact CD2-CB 3.97Å; L445-L487 HydrophobicContact CD2-CD1 3.81Å; L445-L487 HydrophobicContact CD2-CG 4.44Å; R451-L487 HydrophobicContact CG-CD1 4.05Å; M454-L487 HydrophobicContact CB-CD2 3.98Å; E455-L487 HydrophobicContact CB-CD2 4.34Å; L458-L487 HydrophobicContact CD1-CD2 4.06Å; F484-L487 WeakPolarHBondContact O-CB 3.45Å; F484-L487 PolarHBondContact O-N 3.32Å; S485-L487 PolarHBondContact O-N 3.02Å; L487-F489 PolarHBondContact O-N 3.35Å; L487-Q529 PolarHBondContact O-NE2 3.48Å |
| 488 | C | 79.7 | Confident | 89.2 | Confident | 82 Ų | 82 | 50.1 Ų | 50.1 | 55% | 0.554 | 25% | 0.253 | S | S | * | . | trans | -70.8 | 116.8 | 168.9 | -60.5 | 0 | 0 | 0 | 0 | 109.9 | P486 H490 | P486-C488 PolarHBondContact O-N 3.08Å; C488-H490 PolarHBondContact O-N 3.13Å; C488-H490 PolarHBondContact O-ND1 3.46Å | ||
| 489 | F | 83.2 | Confident | 89 | Confident | 21 Ų | 21 | 50.2 Ų | 50.2 | 9% | 0.092 | 25% | 0.254 | C | S | . | . | trans | -70.8 | 126.7 | 174.8 | -72.2 | -88.9 | 0 | 0 | 0 | 109.6 | E455 L458 F463 L487 V494 L495 L525 | E455-F489 HydrophobicContact CG-CD1 3.83Å; E455-F489 HydrophobicContact CG-CE1 4.29Å; L458-F489 HydrophobicContact CD1-CE1 4.14Å; L458-F489 HydrophobicContact CD1-CZ 3.9Å; F463-F489 HydrophobicContact CZ-CE1 4.33Å; L487-F489 PolarHBondContact O-N 3.35Å; F489-V494 HydrophobicContact CD1-CB 4.39Å; F489-V494 HydrophobicContact CD1-CG1 3.65Å; F489-V494 HydrophobicContact CE1-CG1 3.87Å; F489-L495 HydrophobicContact CB-CB 3.96Å; F489-L495 HydrophobicContact CD2-CB 4.48Å; F489-L495 HydrophobicContact CD2-CD1 3.8Å; F489-L495 HydrophobicContact CE2-CD1 4.38Å; F489-L495 HydrophobicContact CG-CB 4.28Å; F489-L495 HydrophobicContact CG-CD1 4.42Å; F489-L525 HydrophobicContact CE2-CD2 4.05Å | ||
| 490 | H | 82.4 | Confident | 89 | Confident | 169 Ų | 169 | 52.1 Ų | 52.1 | 78% | 0.782 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -79.7 | -28.4 | 178.4 | -60.4 | 79.9 | 0 | 0 | 0 | 111.3 | E455 C488 | E455-H490 IonicContact OE2-CG 2.8Å; E455-H490 PolarHBondContact OE2-N 3.32Å; E455-H490 IonicContact OE2-ND1 3.89Å; E455-H490 PolarHBondContact OE2-ND1 3.5Å; C488-H490 PolarHBondContact O-N 3.13Å; C488-H490 PolarHBondContact O-ND1 3.46Å |
| 491 | N | 85.7 | Confident | 89 | Confident | 72 Ų | 72 | 52.8 Ų | 52.8 | 39% | 0.385 | 27% | 0.268 | S | S | . | . | trans | -99.2 | 111.9 | -179.9 | -172.1 | -20.1 | 0 | 0 | 0 | 111.6 | E455 L493 V494 L495 | E455-N491 WeakPolarHBondContact OE1-CB 3.45Å; E455-N491 PolarHBondContact OE1-N 3.05Å; N491-L493 PolarHBondContact O-N 3.34Å; N491-L493 WeakPolarHBondContact OD1-CB 3.35Å; N491-L493 PolarHBondContact OD1-N 3.49Å; N491-V494 HydrophobicContact CB-CB 4.05Å; N491-V494 HydrophobicContact CB-CG2 3.72Å; N491-V494 WeakPolarHBondContact O-CB 3.32Å; N491-V494 PolarHBondContact O-N 3.38Å; N491-L495 PolarHBondContact O-N 3.01Å | ||
| 492 | E | 86.1 | Confident | 89 | Confident | 120 Ų | 120 | 52.7 Ų | 52.7 | 56% | 0.561 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -56.6 | -32.4 | 178.3 | -67 | -179.2 | 177.3 | 0 | 0 | 113.5 | V494 R496 | E492-V494 VanDerWaalsContact C-N 3.35Å; E492-R496 VanDerWaalsContact O-CB 3.26Å; E492-R496 WeakPolarHBondContact O-CB 3.5Å; E492-R496 PolarHBondContact O-N 2.86Å |
| 493 | L | 88.3 | Confident | 89.2 | Confident | 128 Ų | 128 | 52.6 Ų | 52.6 | 67% | 0.67 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -69.8 | -34.8 | 177.1 | -65.4 | 172.6 | 0 | 0 | 0 | 111.7 | N491 N497 | N491-L493 PolarHBondContact O-N 3.34Å; N491-L493 WeakPolarHBondContact OD1-CB 3.35Å; N491-L493 PolarHBondContact OD1-N 3.49Å; L493-N497 VanDerWaalsContact O-CB 3.32Å; L493-N497 WeakPolarHBondContact O-CB 3.46Å; L493-N497 PolarHBondContact O-N 3.29Å |
| 494 | V | 89.9 | Confident | 89.4 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.2 | -45.3 | 177.2 | 177 | 0 | 0 | 0 | 0 | 109.4 | E455 F463 F489 N491 E492 N497 A498 | E455-V494 HydrophobicContact CG-CG1 4.25Å; F463-V494 HydrophobicContact CE2-CG1 3.66Å; F463-V494 HydrophobicContact CZ-CG1 3.78Å; F489-V494 HydrophobicContact CD1-CB 4.39Å; F489-V494 HydrophobicContact CD1-CG1 3.65Å; F489-V494 HydrophobicContact CE1-CG1 3.87Å; N491-V494 HydrophobicContact CB-CB 4.05Å; N491-V494 HydrophobicContact CB-CG2 3.72Å; N491-V494 WeakPolarHBondContact O-CB 3.32Å; N491-V494 PolarHBondContact O-N 3.38Å; E492-V494 VanDerWaalsContact C-N 3.35Å; V494-N497 PolarHBondContact O-N 3.14Å; V494-A498 PolarHBondContact O-N 3.17Å |
| 495 | L | 90.1 | Very high | 89.6 | Confident | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -58.4 | -50 | 173.7 | 177.1 | 60.2 | 0 | 0 | 0 | 111.5 | F489 N491 N497 A498 V499 Q529 Q531 A532 Y535 | F489-L495 HydrophobicContact CB-CB 3.96Å; F489-L495 HydrophobicContact CD2-CB 4.48Å; F489-L495 HydrophobicContact CD2-CD1 3.8Å; F489-L495 HydrophobicContact CE2-CD1 4.38Å; F489-L495 HydrophobicContact CG-CB 4.28Å; F489-L495 HydrophobicContact CG-CD1 4.42Å; N491-L495 PolarHBondContact O-N 3.01Å; L495-N497 VanDerWaalsContact C-N 3.27Å; L495-N497 PolarHBondContact O-N 3.07Å; L495-A498 WeakPolarHBondContact O-CB 3.28Å; L495-A498 PolarHBondContact O-N 3.2Å; L495-A498 VanDerWaalsContact O-N 3.13Å; L495-V499 HydrophobicContact CD1-CG2 4Å; L495-V499 HydrophobicContact CG-CG2 4.4Å; L495-V499 WeakPolarHBondContact O-CG2 3.4Å; L495-V499 PolarHBondContact O-N 3.36Å; L495-Q529 HydrophobicContact CD2-CB 4.42Å; L495-Q531 HydrophobicContact CD2-CB 3.86Å; L495-A532 HydrophobicContact CD1-CB 4.37Å; L495-Y535 HydrophobicContact CD2-CE2 4.43Å; L495-Y535 HydrophobicContact CG-CE2 4.45Å |
| 496 | R | 91.4 | Very high | 90.1 | Very high | 148 Ų | 148 | 54.8 Ų | 54.8 | 56% | 0.558 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -58.1 | -42.3 | 179 | -176.8 | 177.2 | 176.9 | 178.1 | 1.3 | 111.6 | E492 E500 Y535 | E492-R496 VanDerWaalsContact O-CB 3.26Å; E492-R496 WeakPolarHBondContact O-CB 3.5Å; E492-R496 PolarHBondContact O-N 2.86Å; R496-E500 VanDerWaalsContact O-CB 3.27Å; R496-E500 WeakPolarHBondContact O-CB 3.44Å; R496-E500 PolarHBondContact O-N 3.09Å; R496-Y535 HydrophobicContact CB-CD2 4.21Å; R496-Y535 HydrophobicContact CB-CE1 4.45Å; R496-Y535 HydrophobicContact CB-CE2 3.8Å; R496-Y535 HydrophobicContact CG-CD1 4.32Å; R496-Y535 HydrophobicContact CG-CD2 4.37Å; R496-Y535 HydrophobicContact CG-CE1 4.23Å; R496-Y535 HydrophobicContact CG-CE2 4.29Å; R496-Y535 HydrophobicContact CG-CG 4.4Å |
| 497 | N | 92.9 | Very high | 90.5 | Very high | 72 Ų | 72 | 51.7 Ų | 51.7 | 39% | 0.385 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 176.8 | -169.8 | 42.9 | 0 | 0 | 0 | 111.8 | F463 L493 V494 L495 E500 L501 | F463-N497 WeakPolarHBondContact CD2-ND2 3.31Å; F463-N497 HydrophobicContact CE2-CB 4.45Å; L493-N497 VanDerWaalsContact O-CB 3.32Å; L493-N497 WeakPolarHBondContact O-CB 3.46Å; L493-N497 PolarHBondContact O-N 3.29Å; V494-N497 PolarHBondContact O-N 3.14Å; L495-N497 VanDerWaalsContact C-N 3.27Å; L495-N497 PolarHBondContact O-N 3.07Å; N497-E500 PolarHBondContact O-N 3.04Å; N497-L501 WeakPolarHBondContact O-CB 3.43Å; N497-L501 WeakPolarHBondContact O-CG 3.28Å; N497-L501 PolarHBondContact O-N 3.3Å |
| 498 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.6 | -50.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | F463 V494 L495 E500 L501 V502 | F463-A498 HydrophobicContact CE1-CB 3.85Å; F463-A498 HydrophobicContact CE2-CB 4.35Å; F463-A498 HydrophobicContact CZ-CB 3.58Å; V494-A498 PolarHBondContact O-N 3.17Å; L495-A498 WeakPolarHBondContact O-CB 3.28Å; L495-A498 PolarHBondContact O-N 3.2Å; L495-A498 VanDerWaalsContact O-N 3.13Å; A498-E500 VanDerWaalsContact C-N 3.34Å; A498-E500 PolarHBondContact O-N 3.16Å; A498-L501 PolarHBondContact O-N 2.74Å; A498-V502 WeakPolarHBondContact O-CG2 3.24Å; A498-V502 PolarHBondContact O-N 3.38Å |
| 499 | V | 93.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 111 | L495 R503 L522 A532 I536 | L495-V499 HydrophobicContact CD1-CG2 4Å; L495-V499 HydrophobicContact CG-CG2 4.4Å; L495-V499 WeakPolarHBondContact O-CG2 3.4Å; L495-V499 PolarHBondContact O-N 3.36Å; V499-R503 WeakPolarHBondContact O-CB 3.49Å; V499-R503 PolarHBondContact O-N 3.21Å; V499-L522 HydrophobicContact CG1-CD1 4.31Å; V499-A532 HydrophobicContact CG2-CB 3.87Å; V499-I536 HydrophobicContact CG1-CD1 3.44Å; V499-I536 VanDerWaalsContact CG1-CD1 3.44Å; V499-I536 HydrophobicContact CG1-CG1 3.59Å |
| 500 | E | 93.6 | Very high | 91.9 | Very high | 81 Ų | 81 | 62 Ų | 62 | 38% | 0.379 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 178.8 | -177.6 | 58.1 | -141 | 0 | 0 | 112.2 | R496 N497 A498 R503 Q504 | R496-E500 VanDerWaalsContact O-CB 3.27Å; R496-E500 WeakPolarHBondContact O-CB 3.44Å; R496-E500 PolarHBondContact O-N 3.09Å; N497-E500 PolarHBondContact O-N 3.04Å; A498-E500 VanDerWaalsContact C-N 3.34Å; A498-E500 PolarHBondContact O-N 3.16Å; E500-R503 PolarHBondContact O-N 3.43Å; E500-R503 IonicContact OE1-CZ 3.42Å; E500-R503 IonicContact OE1-NE 3.09Å; E500-R503 IonicContact OE1-NH2 2.58Å; E500-R503 PolarHBondContact OE1-NH2 3.47Å; E500-R503 IonicContact OE2-CZ 3.28Å; E500-R503 VanDerWaalsContact OE2-CZ 3.28Å; E500-R503 IonicContact OE2-NE 2.66Å; E500-R503 PolarHBondContact OE2-NE 2.82Å; E500-R503 IonicContact OE2-NH2 2.8Å; E500-R503 PolarHBondContact OE2-NH2 3.35Å; E500-Q504 WeakPolarHBondContact O-CB 3.5Å; E500-Q504 PolarHBondContact O-N 2.71Å |
| 501 | L | 95 | Very high | 92.4 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 178.8 | -71.2 | 172 | 0 | 0 | 0 | 112.4 | F463 L466 N467 N497 A498 Q504 N505 | F463-L501 HydrophobicContact CB-CD1 3.87Å; F463-L501 HydrophobicContact CD2-CD1 4.46Å; F463-L501 HydrophobicContact CG-CD1 4.11Å; L466-L501 HydrophobicContact CB-CB 4.36Å; L466-L501 HydrophobicContact CD1-CB 3.73Å; L466-L501 HydrophobicContact CD1-CD1 3.98Å; L466-L501 HydrophobicContact CD1-CG 4.48Å; N467-L501 WeakPolarHBondContact ND2-CD2 3.27Å; N497-L501 WeakPolarHBondContact O-CB 3.43Å; N497-L501 WeakPolarHBondContact O-CG 3.28Å; N497-L501 PolarHBondContact O-N 3.3Å; A498-L501 PolarHBondContact O-N 2.74Å; L501-Q504 PolarHBondContact O-N 3.12Å; L501-N505 PolarHBondContact O-N 2.99Å |
| 502 | V | 95 | Very high | 92.7 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.7 | 176.7 | 0 | 0 | 0 | 0 | 110.5 | L481 A498 Q504 N505 L506 A518 A521 L522 L525 | L481-V502 HydrophobicContact CD1-CG2 3.48Å; L481-V502 VanDerWaalsContact CD1-CG2 3.48Å; A498-V502 WeakPolarHBondContact O-CG2 3.24Å; A498-V502 PolarHBondContact O-N 3.38Å; V502-Q504 VanDerWaalsContact C-N 3.32Å; V502-Q504 PolarHBondContact O-N 3.3Å; V502-N505 PolarHBondContact O-N 3.36Å; V502-L506 PolarHBondContact O-N 3.43Å; V502-A518 HydrophobicContact CG1-CB 4.17Å; V502-A518 WeakPolarHBondContact CG1-O 3.43Å; V502-A521 HydrophobicContact CG1-CB 3.92Å; V502-L522 HydrophobicContact CG1-CB 3.88Å; V502-L525 HydrophobicContact CG2-CD1 4.32Å |
| 503 | R | 95.3 | Very high | 93.1 | Very high | 57 Ų | 57 | 48.7 Ų | 48.7 | 22% | 0.215 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.8 | -45.6 | 173.6 | -179.1 | -169.9 | 74.6 | 141.4 | -1.8 | 111.5 | V499 E500 N505 L506 I507 I536 C539 V543 | V499-R503 WeakPolarHBondContact O-CB 3.49Å; V499-R503 PolarHBondContact O-N 3.21Å; E500-R503 PolarHBondContact O-N 3.43Å; E500-R503 IonicContact OE1-CZ 3.42Å; E500-R503 IonicContact OE1-NE 3.09Å; E500-R503 IonicContact OE1-NH2 2.58Å; E500-R503 PolarHBondContact OE1-NH2 3.47Å; E500-R503 IonicContact OE2-CZ 3.28Å; E500-R503 VanDerWaalsContact OE2-CZ 3.28Å; E500-R503 IonicContact OE2-NE 2.66Å; E500-R503 PolarHBondContact OE2-NE 2.82Å; E500-R503 IonicContact OE2-NH2 2.8Å; E500-R503 PolarHBondContact OE2-NH2 3.35Å; R503-N505 VanDerWaalsContact C-N 3.31Å; R503-N505 PolarHBondContact O-N 3.2Å; R503-L506 PolarHBondContact O-N 3.5Å; R503-I507 HydrophobicContact CG-CD1 3.66Å; R503-I507 HydrophobicContact CG-CG1 4.4Å; R503-I507 WeakPolarHBondContact O-CG1 3.31Å; R503-I507 PolarHBondContact O-N 3.18Å; R503-I536 HydrophobicContact CB-CD1 4.18Å; R503-I536 HydrophobicContact CG-CD1 4.21Å; R503-C539 WeakPolarHBondContact CD-SG 3.39Å; R503-C539 PolarHBondContact NH1-SG 3.21Å; R503-V543 HydrophobicContact CG-CG2 4.34Å |
| 504 | Q | 95.1 | Very high | 93.4 | Very high | 74 Ų | 74 | 42.6 Ų | 42.6 | 35% | 0.346 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60 | -42.9 | 177.6 | -173.2 | 177.9 | 4.2 | 0 | 0 | 111.2 | E500 L501 V502 L506 I507 D508 | E500-Q504 WeakPolarHBondContact O-CB 3.5Å; E500-Q504 PolarHBondContact O-N 2.71Å; L501-Q504 PolarHBondContact O-N 3.12Å; V502-Q504 VanDerWaalsContact C-N 3.32Å; V502-Q504 PolarHBondContact O-N 3.3Å; Q504-L506 VanDerWaalsContact C-N 3.3Å; Q504-L506 PolarHBondContact O-N 3.45Å; Q504-I507 PolarHBondContact O-N 2.97Å; Q504-D508 HydrophobicContact CG-CB 4.22Å; Q504-D508 WeakPolarHBondContact O-CB 3.47Å; Q504-D508 PolarHBondContact O-N 2.97Å |
| 505 | N | 95.6 | Very high | 93.7 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 5% | 0.048 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -67.1 | -28.2 | 177.2 | -76.1 | -10.9 | 0 | 0 | 0 | 113.6 | L466 L501 V502 R503 D509 V514 A518 | L466-N505 WeakPolarHBondContact CD2-ND2 3.48Å; L466-N505 PolarHBondContact O-ND2 3.33Å; L466-N505 PolarHBondContact O-OD1 2.9Å; L501-N505 PolarHBondContact O-N 2.99Å; V502-N505 PolarHBondContact O-N 3.36Å; R503-N505 VanDerWaalsContact C-N 3.31Å; R503-N505 PolarHBondContact O-N 3.2Å; N505-D509 WeakPolarHBondContact O-CB 3.43Å; N505-V514 HydrophobicContact CB-CG1 4.06Å; N505-A518 HydrophobicContact CB-CB 3.96Å |
| 506 | L | 95.5 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.2 | -43.8 | 173 | 177 | 58.5 | 0 | 0 | 0 | 111.9 | V502 R503 Q504 K515 A518 A519 L522 V543 L547 | V502-L506 PolarHBondContact O-N 3.43Å; R503-L506 PolarHBondContact O-N 3.5Å; Q504-L506 VanDerWaalsContact C-N 3.3Å; Q504-L506 PolarHBondContact O-N 3.45Å; L506-K515 HydrophobicContact CD1-CB 4.37Å; L506-K515 WeakPolarHBondContact CD1-O 3.43Å; L506-K515 WeakPolarHBondContact O-CD 3.44Å; L506-K515 WeakPolarHBondContact O-CE 3.29Å; L506-A518 HydrophobicContact CB-CB 3.96Å; L506-A519 HydrophobicContact CD1-CB 3.96Å; L506-L522 HydrophobicContact CD2-CD2 3.82Å; L506-V543 HydrophobicContact CD2-CG1 3.86Å; L506-L547 HydrophobicContact CD1-CD2 4.12Å; L506-L547 HydrophobicContact CD2-CD2 4.04Å; L506-L547 HydrophobicContact CD2-CG 4.27Å |
| 507 | I | 94.7 | Very high | 94 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 9% | 0.092 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -87 | -50.8 | -170.3 | -62.8 | 176.9 | 0 | 0 | 0 | 112.2 | R503 Q504 Q542 V543 E546 | R503-I507 HydrophobicContact CG-CD1 3.66Å; R503-I507 HydrophobicContact CG-CG1 4.4Å; R503-I507 WeakPolarHBondContact O-CG1 3.31Å; R503-I507 PolarHBondContact O-N 3.18Å; Q504-I507 PolarHBondContact O-N 2.97Å; I507-Q542 HydrophobicContact CD1-CG 4.05Å; I507-Q542 HydrophobicContact CG2-CG 4.33Å; I507-V543 HydrophobicContact CD1-CG2 4.16Å; I507-E546 HydrophobicContact CG1-CG 4.38Å; I507-E546 HydrophobicContact CG2-CG 4.46Å |
| 508 | D | 93.3 | Very high | 94.1 | Very high | 108 Ų | 108 | 32.7 Ų | 32.7 | 58% | 0.578 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.7 | -15.3 | -165.7 | -64.4 | -29.2 | 0 | 0 | 0 | 113.6 | Q504 | Q504-D508 HydrophobicContact CG-CB 4.22Å; Q504-D508 WeakPolarHBondContact O-CB 3.47Å; Q504-D508 PolarHBondContact O-N 2.97Å |
| 509 | D | 93.8 | Very high | 94.3 | Very high | 18 Ų | 18 | 32.8 Ų | 32.8 | 10% | 0.096 | 15% | 0.153 | C | C | . | . | trans | -68 | 151.6 | -179.9 | -152.5 | -55.5 | 0 | 0 | 0 | 111.3 | R474 N505 E511 V514 K515 | R474-D509 IonicContact CZ-OD2 3.49Å; R474-D509 VanDerWaalsContact CZ-OD2 3.23Å; R474-D509 IonicContact NE-OD2 2.94Å; R474-D509 PolarHBondContact NE-OD2 3.16Å; R474-D509 IonicContact NH2-OD1 2.88Å; R474-D509 PolarHBondContact NH2-OD1 3.42Å; R474-D509 IonicContact NH2-OD2 3.15Å; R474-D509 PolarHBondContact NH2-OD2 2.8Å; N505-D509 WeakPolarHBondContact O-CB 3.43Å; D509-E511 PolarHBondContact OD1-N 3.31Å; D509-V514 HydrophobicContact CB-CG1 4.35Å; D509-V514 WeakPolarHBondContact OD2-CG1 3.32Å; D509-K515 HydrophobicContact CB-CG 4.48Å; D509-K515 WeakPolarHBondContact O-CE 3.48Å | ||
| 510 | K | 91.5 | Very high | 94.3 | Very high | 201 Ų | 201 | 33.6 Ų | 33.6 | 87% | 0.874 | 16% | 0.158 | S | C | * | . | trans | -99.7 | -21.4 | 179.2 | -62.5 | -179.7 | -178.4 | 177 | 0 | 112.3 | ||||
| 511 | E | 93 | Very high | 94.3 | Very high | 53 Ų | 53 | 29.7 Ų | 29.7 | 25% | 0.248 | 14% | 0.139 | C | C | . | . | trans | -90.4 | 115.2 | -174.8 | -64.4 | -177.1 | 92.7 | 0 | 0 | 109.6 | W369 G471 R474 D509 P513 V514 K515 | W369-E511 HydrophobicContact CZ2-CB 4.37Å; W369-E511 PolarHBondContact NE1-OE1 3.39Å; G471-E511 WeakPolarHBondContact CA-OE2 3.29Å; G471-E511 PolarHBondContact N-OE2 3.13Å; R474-E511 IonicContact CZ-OE2 3.18Å; R474-E511 IonicContact NH1-OE2 2.89Å; R474-E511 IonicContact NH2-OE2 3.85Å; R474-E511 PolarHBondContact NH2-OE2 3.39Å; D509-E511 PolarHBondContact OD1-N 3.31Å; E511-P513 VanDerWaalsContact C-CD 3.46Å; E511-V514 HydrophobicContact CB-CG2 3.92Å; E511-V514 WeakPolarHBondContact O-CB 3.39Å; E511-V514 PolarHBondContact O-N 3.19Å; E511-K515 PolarHBondContact O-N 3.39Å | ||
| 512 | M | 92.2 | Very high | 94.3 | Very high | 23 Ų | 23 | 29.1 Ų | 29.1 | 11% | 0.113 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.5 | -41.9 | -175 | -162.1 | 60.5 | 73.3 | 0 | 0 | 114.1 | Y374 I377 V514 K515 V516 V550 E553 T554 | Y374-M512 HydrophobicContact CE1-CE 4.48Å; Y374-M512 HydrophobicContact CE1-CG 4.16Å; I377-M512 HydrophobicContact CD1-CB 4.15Å; I377-M512 HydrophobicContact CD1-CG 3.89Å; M512-V514 PolarHBondContact O-N 3.1Å; M512-K515 WeakPolarHBondContact O-CB 3.14Å; M512-K515 PolarHBondContact O-N 3.2Å; M512-K515 HydrophobicContact SD-CB 4.47Å; M512-K515 HydrophobicContact SD-CD 4.35Å; M512-V516 WeakPolarHBondContact O-CG2 3.46Å; M512-V516 PolarHBondContact O-N 3.2Å; M512-V516 VanDerWaalsContact O-N 3.12Å; M512-V550 HydrophobicContact SD-CB 4.34Å; M512-V550 HydrophobicContact SD-CG1 3.87Å; M512-V550 HydrophobicContact SD-CG2 4.09Å; M512-E553 HydrophobicContact CE-CB 3.77Å; M512-E553 HydrophobicContact CE-CG 4.12Å; M512-T554 HydrophobicContact CG-CG2 3.18Å; M512-T554 HydrophobicContact SD-CG2 3.75Å |
| 513 | P | 92.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 29.7 Ų | 29.7 | 4% | 0.039 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -63.6 | -25.6 | 179.1 | -19.1 | 30.4 | 0 | 0 | 0 | 113.2 | W369 P373 Y376 I377 E511 E517 | W369-P513 HydrophobicContact CD2-CG 4.31Å; W369-P513 HydrophobicContact CE3-CB 4.24Å; W369-P513 HydrophobicContact CE3-CG 4.13Å; W369-P513 HydrophobicContact CH2-CB 3.46Å; W369-P513 VanDerWaalsContact CH2-CB 3.46Å; W369-P513 HydrophobicContact CH2-CG 3.89Å; W369-P513 HydrophobicContact CZ2-CB 4.05Å; W369-P513 HydrophobicContact CZ2-CG 4.03Å; W369-P513 HydrophobicContact CZ3-CB 3.56Å; W369-P513 HydrophobicContact CZ3-CG 3.93Å; P373-P513 HydrophobicContact CB-CG 4.08Å; Y376-P513 HydrophobicContact CD1-CB 4.04Å; Y376-P513 HydrophobicContact CD1-CG 4.07Å; Y376-P513 HydrophobicContact CE1-CB 4.21Å; I377-P513 HydrophobicContact CD1-CB 4.31Å; I377-P513 HydrophobicContact CD1-CG 4.06Å; I377-P513 HydrophobicContact CG1-CB 3.96Å; I377-P513 HydrophobicContact CG1-CG 3.97Å; E511-P513 VanDerWaalsContact C-CD 3.46Å; P513-E517 WeakPolarHBondContact O-CG 3.47Å; P513-E517 PolarHBondContact O-N 3.02Å |
| 514 | V | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -71.5 | -42.7 | 174.2 | -176 | 0 | 0 | 0 | 0 | 110.5 | W369 G471 R474 A475 N505 D509 E511 M512 V516 E517 A518 | W369-V514 HydrophobicContact CH2-CG2 4.34Å; W369-V514 HydrophobicContact CZ2-CG2 4.23Å; G471-V514 WeakPolarHBondContact O-CG2 3.37Å; R474-V514 HydrophobicContact CB-CG1 3.81Å; R474-V514 HydrophobicContact CB-CG2 4.18Å; A475-V514 HydrophobicContact CB-CG2 4.1Å; N505-V514 HydrophobicContact CB-CG1 4.06Å; D509-V514 HydrophobicContact CB-CG1 4.35Å; D509-V514 WeakPolarHBondContact OD2-CG1 3.32Å; E511-V514 HydrophobicContact CB-CG2 3.92Å; E511-V514 WeakPolarHBondContact O-CB 3.39Å; E511-V514 PolarHBondContact O-N 3.19Å; M512-V514 PolarHBondContact O-N 3.1Å; V514-V516 PolarHBondContact O-N 2.91Å; V514-E517 PolarHBondContact O-N 3.36Å; V514-A518 VanDerWaalsContact O-CB 3.23Å; V514-A518 WeakPolarHBondContact O-CB 3.32Å; V514-A518 PolarHBondContact O-N 3.17Å |
| 515 | K | 95.8 | Very high | 93.8 | Very high | 19 Ų | 19 | 24.2 Ų | 24.2 | 8% | 0.083 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.7 | -43 | 177.8 | -68.1 | -163.5 | 172.3 | -163.4 | 0 | 112.1 | L506 D509 E511 M512 A518 A519 E546 V550 | L506-K515 HydrophobicContact CD1-CB 4.37Å; L506-K515 WeakPolarHBondContact CD1-O 3.43Å; L506-K515 WeakPolarHBondContact O-CD 3.44Å; L506-K515 WeakPolarHBondContact O-CE 3.29Å; D509-K515 HydrophobicContact CB-CG 4.48Å; D509-K515 WeakPolarHBondContact O-CE 3.48Å; E511-K515 PolarHBondContact O-N 3.39Å; M512-K515 WeakPolarHBondContact O-CB 3.14Å; M512-K515 PolarHBondContact O-N 3.2Å; M512-K515 HydrophobicContact SD-CB 4.47Å; M512-K515 HydrophobicContact SD-CD 4.35Å; K515-A518 PolarHBondContact O-N 2.97Å; K515-A519 WeakPolarHBondContact O-CB 3.47Å; K515-A519 PolarHBondContact O-N 3.17Å; K515-E546 IonicContact NZ-OE2 3.95Å; K515-E546 PolarHBondContact NZ-OE2 3.32Å; K515-V550 HydrophobicContact CB-CG2 3.87Å; K515-V550 HydrophobicContact CD-CG2 3.79Å; K515-V550 HydrophobicContact CG-CG2 4.5Å |
| 516 | V | 93.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -59.5 | -52 | 177.6 | 179.1 | 0 | 0 | 0 | 0 | 111 | I377 F381 M512 V514 A518 A519 I520 V550 T554 L559 | I377-V516 HydrophobicContact CD1-CG2 3.91Å; I377-V516 HydrophobicContact CG1-CG2 4.42Å; I377-V516 HydrophobicContact CG2-CG2 4.33Å; F381-V516 HydrophobicContact CD2-CG1 4.48Å; F381-V516 HydrophobicContact CE2-CG1 3.67Å; F381-V516 HydrophobicContact CZ-CG1 3.7Å; M512-V516 WeakPolarHBondContact O-CG2 3.46Å; M512-V516 PolarHBondContact O-N 3.2Å; M512-V516 VanDerWaalsContact O-N 3.12Å; V514-V516 PolarHBondContact O-N 2.91Å; V516-A518 VanDerWaalsContact C-N 3.31Å; V516-A518 PolarHBondContact O-N 3.21Å; V516-A519 WeakPolarHBondContact O-CB 3.24Å; V516-A519 PolarHBondContact O-N 3.45Å; V516-I520 HydrophobicContact CG1-CD1 4.33Å; V516-I520 PolarHBondContact O-N 3.49Å; V516-V550 HydrophobicContact CG2-CG1 3.84Å; V516-T554 HydrophobicContact CG2-CG2 3.87Å; V516-L559 HydrophobicContact CG1-CD1 4.45Å; V516-L559 HydrophobicContact CG1-CD2 4.14Å; V516-L559 HydrophobicContact CG1-CG 4.37Å; V516-L559 HydrophobicContact CG2-CD1 4.23Å |
| 517 | E | 94.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.019 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -64.9 | -35.9 | 179.1 | -70.3 | -72 | -174.5 | 0 | 0 | 112.4 | K380 A475 C478 W479 P513 V514 A521 | K380-E517 VanDerWaalsContact CE-OE1 3.31Å; K380-E517 WeakPolarHBondContact CE-OE1 3.36Å; K380-E517 IonicContact NZ-OE1 2.68Å; K380-E517 PolarHBondContact NZ-OE1 2.84Å; A475-E517 HydrophobicContact CB-CB 4.5Å; A475-E517 HydrophobicContact CB-CG 4.2Å; C478-E517 HydrophobicContact CB-CB 3.77Å; W479-E517 WeakPolarHBondContact CB-OE2 3.38Å; P513-E517 WeakPolarHBondContact O-CG 3.47Å; P513-E517 PolarHBondContact O-N 3.02Å; V514-E517 PolarHBondContact O-N 3.36Å; E517-A521 VanDerWaalsContact O-CB 3.3Å; E517-A521 WeakPolarHBondContact O-CB 3.39Å; E517-A521 PolarHBondContact O-N 2.86Å |
| 518 | A | 96.1 | Very high | 93 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | V502 N505 L506 V514 K515 V516 A521 L522 | V502-A518 HydrophobicContact CG1-CB 4.17Å; V502-A518 WeakPolarHBondContact CG1-O 3.43Å; N505-A518 HydrophobicContact CB-CB 3.96Å; L506-A518 HydrophobicContact CB-CB 3.96Å; V514-A518 VanDerWaalsContact O-CB 3.23Å; V514-A518 WeakPolarHBondContact O-CB 3.32Å; V514-A518 PolarHBondContact O-N 3.17Å; K515-A518 PolarHBondContact O-N 2.97Å; V516-A518 VanDerWaalsContact C-N 3.31Å; V516-A518 PolarHBondContact O-N 3.21Å; A518-A521 PolarHBondContact O-N 3.16Å; A518-L522 VanDerWaalsContact O-CB 3.23Å; A518-L522 WeakPolarHBondContact O-CB 3.37Å; A518-L522 PolarHBondContact O-N 3.11Å |
| 519 | A | 95.3 | Very high | 92.7 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.008 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.5 | -49.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | L506 K515 V516 L522 Q523 L547 L559 V562 | L506-A519 HydrophobicContact CD1-CB 3.96Å; K515-A519 WeakPolarHBondContact O-CB 3.47Å; K515-A519 PolarHBondContact O-N 3.17Å; V516-A519 WeakPolarHBondContact O-CB 3.24Å; V516-A519 PolarHBondContact O-N 3.45Å; A519-L522 PolarHBondContact O-N 2.99Å; A519-Q523 PolarHBondContact O-N 3.48Å; A519-L547 HydrophobicContact CB-CD2 3.31Å; A519-L559 HydrophobicContact CB-CD2 3.61Å; A519-V562 HydrophobicContact CB-CG1 4.37Å |
| 520 | I | 93.4 | Very high | 92.4 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 10% | 0.097 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -64.6 | -44.4 | 179.8 | -61.1 | 168.7 | 0 | 0 | 0 | 110.7 | F381 V516 L522 T524 D558 L559 V562 | F381-I520 HydrophobicContact CE1-CD1 3.5Å; F381-I520 HydrophobicContact CZ-CD1 3.81Å; V516-I520 HydrophobicContact CG1-CD1 4.33Å; V516-I520 PolarHBondContact O-N 3.49Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L522 PolarHBondContact O-N 3.18Å; I520-T524 PolarHBondContact O-N 2.86Å; I520-T524 VanDerWaalsContact O-N 3.11Å; I520-T524 PolarHBondContact O-OG1 3.23Å; I520-D558 HydrophobicContact CD1-CB 4.42Å; I520-L559 HydrophobicContact CG1-CD2 4.47Å; I520-V562 HydrophobicContact CG1-CG2 4Å |
| 521 | A | 94.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.4 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | C478 H482 V502 E517 A518 T524 L525 | C478-A521 HydrophobicContact CB-CB 4.25Å; C478-A521 WeakPolarHBondContact O-CB 3.35Å; H482-A521 HydrophobicContact CB-CB 4.14Å; V502-A521 HydrophobicContact CG1-CB 3.92Å; E517-A521 VanDerWaalsContact O-CB 3.3Å; E517-A521 WeakPolarHBondContact O-CB 3.39Å; E517-A521 PolarHBondContact O-N 2.86Å; A518-A521 PolarHBondContact O-N 3.16Å; A521-T524 PolarHBondContact O-OG1 3.45Å; A521-T524 VanDerWaalsContact O-OG1 3.09Å; A521-L525 VanDerWaalsContact O-CG 3.28Å; A521-L525 WeakPolarHBondContact O-CG 3Å; A521-L525 PolarHBondContact O-N 3.25Å; A521-L525 VanDerWaalsContact O-N 3.09Å |
| 522 | L | 94.8 | Very high | 92 | Very high | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.5 | -47.6 | 180 | -174.2 | 60.2 | 0 | 0 | 0 | 111.5 | V499 V502 L506 A518 A519 I520 T524 L525 V526 I536 V543 | V499-L522 HydrophobicContact CG1-CD1 4.31Å; V502-L522 HydrophobicContact CG1-CB 3.88Å; L506-L522 HydrophobicContact CD2-CD2 3.82Å; A518-L522 VanDerWaalsContact O-CB 3.23Å; A518-L522 WeakPolarHBondContact O-CB 3.37Å; A518-L522 PolarHBondContact O-N 3.11Å; A519-L522 PolarHBondContact O-N 2.99Å; I520-L522 VanDerWaalsContact C-N 3.35Å; I520-L522 PolarHBondContact O-N 3.18Å; L522-T524 VanDerWaalsContact C-N 3.33Å; L522-T524 PolarHBondContact O-N 3.41Å; L522-L525 PolarHBondContact O-N 2.95Å; L522-V526 VanDerWaalsContact O-CG2 3.31Å; L522-V526 WeakPolarHBondContact O-CG2 3.19Å; L522-V526 PolarHBondContact O-N 3.22Å; L522-I536 HydrophobicContact CD1-CD1 3.86Å; L522-I536 HydrophobicContact CD1-CG1 4.02Å; L522-I536 HydrophobicContact CD2-CD1 4.47Å; L522-V543 HydrophobicContact CD2-CG1 3.8Å; L522-V543 HydrophobicContact CD2-CG2 4.26Å |
| 523 | Q | 93.6 | Very high | 91.9 | Very high | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.056 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -57.9 | -47 | 178.3 | 176.4 | -84.7 | -59.9 | 0 | 0 | 111.5 | A519 L525 V526 S527 V562 K565 M566 | A519-Q523 PolarHBondContact O-N 3.48Å; Q523-L525 PolarHBondContact O-N 2.88Å; Q523-V526 PolarHBondContact O-N 3.07Å; Q523-S527 PolarHBondContact NE2-OG 2.96Å; Q523-S527 PolarHBondContact O-N 3.03Å; Q523-S527 PolarHBondContact O-OG 3.43Å; Q523-V562 HydrophobicContact CB-CB 4.39Å; Q523-V562 HydrophobicContact CB-CG1 3.83Å; Q523-V562 HydrophobicContact CB-CG2 4.15Å; Q523-V562 HydrophobicContact CG-CB 4.47Å; Q523-V562 HydrophobicContact CG-CG1 4.28Å; Q523-V562 HydrophobicContact CG-CG2 4.37Å; Q523-K565 VanDerWaalsContact CD-CD 3.48Å; Q523-K565 HydrophobicContact CG-CB 3.86Å; Q523-K565 HydrophobicContact CG-CD 4.22Å; Q523-M566 HydrophobicContact CB-CG 4.39Å; Q523-M566 HydrophobicContact CB-SD 4.25Å; Q523-M566 HydrophobicContact CG-CG 4.33Å; Q523-M566 HydrophobicContact CG-SD 4.44Å |
| 524 | T | 90.4 | Very high | 91.8 | Very high | 15 Ų | 15 | 24.1 Ų | 24.1 | 9% | 0.092 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.1 | -35.4 | -178.8 | 49 | 0 | 0 | 0 | 0 | 113.3 | H482 I520 A521 L522 N528 | H482-T524 VanDerWaalsContact ND1-CG2 3.31Å; H482-T524 WeakPolarHBondContact ND1-CG2 3.17Å; H482-T524 PolarHBondContact ND1-OG1 3.49Å; I520-T524 PolarHBondContact O-N 2.86Å; I520-T524 VanDerWaalsContact O-N 3.11Å; I520-T524 PolarHBondContact O-OG1 3.23Å; A521-T524 PolarHBondContact O-OG1 3.45Å; A521-T524 VanDerWaalsContact O-OG1 3.09Å; L522-T524 VanDerWaalsContact C-N 3.33Å; L522-T524 PolarHBondContact O-N 3.41Å; T524-N528 WeakPolarHBondContact O-CB 3.42Å; T524-N528 PolarHBondContact O-N 3.42Å; T524-N528 PolarHBondContact O-ND2 3.23Å |
| 525 | L | 91.1 | Very high | 91.6 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.5 | -40.9 | 171.5 | -72.4 | 170.8 | 0 | 0 | 0 | 112.3 | F489 V502 A521 L522 Q523 Q529 | F489-L525 HydrophobicContact CE2-CD2 4.05Å; V502-L525 HydrophobicContact CG2-CD1 4.32Å; A521-L525 VanDerWaalsContact O-CG 3.28Å; A521-L525 WeakPolarHBondContact O-CG 3Å; A521-L525 PolarHBondContact O-N 3.25Å; A521-L525 VanDerWaalsContact O-N 3.09Å; L522-L525 PolarHBondContact O-N 2.95Å; Q523-L525 PolarHBondContact O-N 2.88Å; L525-Q529 PolarHBondContact O-N 3.31Å |
| 526 | V | 91.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.9 | -46 | 179.1 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | L522 Q523 N528 K533 I536 M566 E569 Y570 | L522-V526 VanDerWaalsContact O-CG2 3.31Å; L522-V526 WeakPolarHBondContact O-CG2 3.19Å; L522-V526 PolarHBondContact O-N 3.22Å; Q523-V526 PolarHBondContact O-N 3.07Å; V526-N528 PolarHBondContact O-N 3.09Å; V526-K533 HydrophobicContact CG1-CG 3.96Å; V526-K533 WeakPolarHBondContact O-CE 3.44Å; V526-K533 WeakPolarHBondContact O-CG 3.41Å; V526-I536 HydrophobicContact CG2-CG1 4.25Å; V526-M566 HydrophobicContact CB-SD 4.23Å; V526-M566 HydrophobicContact CG1-SD 4.06Å; V526-M566 HydrophobicContact CG2-SD 4.37Å; V526-E569 HydrophobicContact CG1-CB 4.31Å; V526-E569 HydrophobicContact CG1-CG 4.34Å; V526-Y570 HydrophobicContact CG1-CE2 3.77Å; V526-Y570 WeakPolarHBondContact CG1-OH 3.44Å |
| 527 | S | 89.8 | Confident | 91.3 | Very high | 37 Ų | 37 | 31 Ų | 31 | 26% | 0.259 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -67.4 | -34 | -178.9 | -63.9 | 0 | 0 | 0 | 0 | 113 | Q523 | Q523-S527 PolarHBondContact NE2-OG 2.96Å; Q523-S527 PolarHBondContact O-N 3.03Å; Q523-S527 PolarHBondContact O-OG 3.43Å |
| 528 | N | 87.4 | Confident | 91.1 | Very high | 79 Ų | 79 | 36.4 Ų | 36.4 | 42% | 0.422 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -87.1 | -19.3 | -176.5 | -67.6 | -21.8 | 0 | 0 | 0 | 114 | S485 T524 V526 | S485-N528 WeakPolarHBondContact CB-ND2 3.42Å; S485-N528 PolarHBondContact O-ND2 3.24Å; S485-N528 PolarHBondContact OG-ND2 2.89Å; T524-N528 WeakPolarHBondContact O-CB 3.42Å; T524-N528 PolarHBondContact O-N 3.42Å; T524-N528 PolarHBondContact O-ND2 3.23Å; V526-N528 PolarHBondContact O-N 3.09Å |
| 529 | Q | 87.5 | Confident | 90.9 | Very high | 17 Ų | 17 | 37 Ų | 37 | 8% | 0.079 | 19% | 0.187 | C | C | . | . | trans | -138.3 | 114.8 | -171.7 | -67.7 | 178.6 | 60.1 | 0 | 0 | 113.3 | L487 L495 L525 Q531 A532 | L487-Q529 PolarHBondContact O-NE2 3.48Å; L495-Q529 HydrophobicContact CD2-CB 4.42Å; L525-Q529 PolarHBondContact O-N 3.31Å; Q529-Q531 VanDerWaalsContact C-N 3.3Å; Q529-Q531 PolarHBondContact O-N 3.07Å; Q529-A532 HydrophobicContact CB-CB 4.24Å; Q529-A532 VanDerWaalsContact O-CB 3.27Å; Q529-A532 WeakPolarHBondContact O-CB 3.48Å; Q529-A532 PolarHBondContact O-N 3.22Å | ||
| 530 | E | 86.2 | Confident | 90.7 | Very high | 108 Ų | 108 | 37.3 Ų | 37.3 | 51% | 0.505 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.9 | -36.4 | -177.6 | -167.3 | 58.3 | -146.2 | 0 | 0 | 113.6 | A532 K533 | E530-A532 VanDerWaalsContact C-N 3.29Å; E530-A532 PolarHBondContact O-N 3.25Å; E530-K533 VanDerWaalsContact O-CB 3.3Å; E530-K533 WeakPolarHBondContact O-CB 3.3Å; E530-K533 PolarHBondContact O-N 3.18Å; E530-K533 VanDerWaalsContact O-N 3.15Å; E530-K533 WeakPolarHBondContact OE2-CD 3.42Å; E530-K533 VanDerWaalsContact OE2-CE 3.32Å; E530-K533 WeakPolarHBondContact OE2-CE 3.28Å; E530-K533 IonicContact OE2-NZ 3.35Å; E530-K533 PolarHBondContact OE2-NZ 3.23Å |
| 531 | Q | 88 | Confident | 90.5 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 41% | 0.411 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -67.1 | -29.6 | 177 | -67 | -56.4 | -41.8 | 0 | 0 | 112.7 | L495 Q529 K533 M534 Y535 | L495-Q531 HydrophobicContact CD2-CB 3.86Å; Q529-Q531 VanDerWaalsContact C-N 3.3Å; Q529-Q531 PolarHBondContact O-N 3.07Å; Q531-K533 PolarHBondContact O-N 3.33Å; Q531-M534 PolarHBondContact O-N 3.33Å; Q531-Y535 HydrophobicContact CB-CE2 4.38Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.29Å; Q531-Y535 WeakPolarHBondContact O-CE2 3.45Å; Q531-Y535 PolarHBondContact O-N 3.33Å |
| 532 | A | 89.1 | Confident | 90.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.4 | -35.8 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111 | L495 V499 Q529 E530 M534 Y535 I536 | L495-A532 HydrophobicContact CD1-CB 4.37Å; V499-A532 HydrophobicContact CG2-CB 3.87Å; Q529-A532 HydrophobicContact CB-CB 4.24Å; Q529-A532 VanDerWaalsContact O-CB 3.27Å; Q529-A532 WeakPolarHBondContact O-CB 3.48Å; Q529-A532 PolarHBondContact O-N 3.22Å; E530-A532 VanDerWaalsContact C-N 3.29Å; E530-A532 PolarHBondContact O-N 3.25Å; A532-M534 VanDerWaalsContact C-N 3.31Å; A532-M534 PolarHBondContact O-N 3.5Å; A532-Y535 PolarHBondContact O-N 3.15Å; A532-I536 PolarHBondContact O-N 3.39Å |
| 533 | K | 90.3 | Very high | 90.3 | Very high | 27 Ų | 27 | 47.2 Ų | 47.2 | 12% | 0.117 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58.7 | -44 | 176.3 | -51.7 | -174.3 | -173 | 170.6 | 0 | 111.9 | V526 E530 Q531 Y535 I536 R537 E569 Y570 | V526-K533 HydrophobicContact CG1-CG 3.96Å; V526-K533 WeakPolarHBondContact O-CE 3.44Å; V526-K533 WeakPolarHBondContact O-CG 3.41Å; E530-K533 VanDerWaalsContact O-CB 3.3Å; E530-K533 WeakPolarHBondContact O-CB 3.3Å; E530-K533 PolarHBondContact O-N 3.18Å; E530-K533 VanDerWaalsContact O-N 3.15Å; E530-K533 WeakPolarHBondContact OE2-CD 3.42Å; E530-K533 VanDerWaalsContact OE2-CE 3.32Å; E530-K533 WeakPolarHBondContact OE2-CE 3.28Å; E530-K533 IonicContact OE2-NZ 3.35Å; E530-K533 PolarHBondContact OE2-NZ 3.23Å; Q531-K533 PolarHBondContact O-N 3.33Å; K533-Y535 VanDerWaalsContact C-N 3.29Å; K533-Y535 PolarHBondContact O-N 3.02Å; K533-I536 PolarHBondContact O-N 3.32Å; K533-R537 WeakPolarHBondContact O-CB 3.46Å; K533-R537 PolarHBondContact O-N 3.04Å; K533-E569 WeakPolarHBondContact CE-OE2 3.28Å; K533-E569 IonicContact NZ-OE1 3.5Å; K533-E569 IonicContact NZ-OE2 2.81Å; K533-E569 PolarHBondContact NZ-OE2 3.4Å; K533-Y570 VanDerWaalsContact CA-OH 3.3Å; K533-Y570 WeakPolarHBondContact CA-OH 3.15Å; K533-Y570 HydrophobicContact CB-CE1 4.3Å; K533-Y570 PolarHBondContact O-OH 3.13Å |
| 534 | M | 90.3 | Very high | 90.2 | Very high | 79 Ų | 79 | 46.7 Ų | 46.7 | 39% | 0.389 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -34.3 | 179.9 | -62.2 | -60.4 | 109.9 | 0 | 0 | 112.8 | Q531 A532 | Q531-M534 PolarHBondContact O-N 3.33Å; A532-M534 VanDerWaalsContact C-N 3.31Å; A532-M534 PolarHBondContact O-N 3.5Å |
| 535 | Y | 90.6 | Very high | 90.1 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 25% | 0.251 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -75.3 | -32.4 | 180 | -60.8 | -43.9 | 0 | 0 | 0 | 113.3 | L495 R496 Q531 A532 K533 P538 | L495-Y535 HydrophobicContact CD2-CE2 4.43Å; L495-Y535 HydrophobicContact CG-CE2 4.45Å; R496-Y535 HydrophobicContact CB-CD2 4.21Å; R496-Y535 HydrophobicContact CB-CE1 4.45Å; R496-Y535 HydrophobicContact CB-CE2 3.8Å; R496-Y535 HydrophobicContact CG-CD1 4.32Å; R496-Y535 HydrophobicContact CG-CD2 4.37Å; R496-Y535 HydrophobicContact CG-CE1 4.23Å; R496-Y535 HydrophobicContact CG-CE2 4.29Å; R496-Y535 HydrophobicContact CG-CG 4.4Å; Q531-Y535 HydrophobicContact CB-CE2 4.38Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.29Å; Q531-Y535 WeakPolarHBondContact O-CE2 3.45Å; Q531-Y535 PolarHBondContact O-N 3.33Å; A532-Y535 PolarHBondContact O-N 3.15Å; K533-Y535 VanDerWaalsContact C-N 3.29Å; K533-Y535 PolarHBondContact O-N 3.02Å; Y535-P538 WeakPolarHBondContact O-CD 3.39Å |
| 536 | I | 92.5 | Very high | 90.2 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -85.8 | -29.5 | -179.9 | -66.1 | -58.8 | 0 | 0 | 0 | 112.4 | V499 R503 L522 V526 A532 K533 P538 C539 I540 V543 M566 Y570 | V499-I536 HydrophobicContact CG1-CD1 3.44Å; V499-I536 VanDerWaalsContact CG1-CD1 3.44Å; V499-I536 HydrophobicContact CG1-CG1 3.59Å; R503-I536 HydrophobicContact CB-CD1 4.18Å; R503-I536 HydrophobicContact CG-CD1 4.21Å; L522-I536 HydrophobicContact CD1-CD1 3.86Å; L522-I536 HydrophobicContact CD1-CG1 4.02Å; L522-I536 HydrophobicContact CD2-CD1 4.47Å; V526-I536 HydrophobicContact CG2-CG1 4.25Å; A532-I536 PolarHBondContact O-N 3.39Å; K533-I536 PolarHBondContact O-N 3.32Å; I536-P538 VanDerWaalsContact C-N 3.3Å; I536-P538 WeakPolarHBondContact O-CD 3.5Å; I536-C539 CarbonylContact O-C 3.45Å; I536-C539 PolarHBondContact O-N 3.37Å; I536-C539 PolarHBondContact O-SG 3.44Å; I536-I540 HydrophobicContact CG2-CB 4.32Å; I536-I540 HydrophobicContact CG2-CD1 3.91Å; I536-I540 PolarHBondContact O-N 3.47Å; I536-V543 HydrophobicContact CG2-CG2 4.41Å; I536-M566 HydrophobicContact CG2-CE 4.45Å; I536-Y570 WeakPolarHBondContact CB-OH 3.12Å; I536-Y570 HydrophobicContact CG2-CE2 4.46Å |
| 537 | R | 90.8 | Very high | 90.2 | Very high | 99 Ų | 99 | 53.6 Ų | 53.6 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -42 | -43.2 | -179.9 | -166.7 | 174.2 | -174.6 | 160.4 | 12.1 | 115.3 | K533 C539 I540 Y570 E573 | K533-R537 WeakPolarHBondContact O-CB 3.46Å; K533-R537 PolarHBondContact O-N 3.04Å; R537-C539 VanDerWaalsContact C-N 3.29Å; R537-C539 PolarHBondContact O-N 3.4Å; R537-I540 VanDerWaalsContact O-CG2 3.32Å; R537-I540 WeakPolarHBondContact O-CG2 3.09Å; R537-Y570 HydrophobicContact CB-CE1 4.26Å; R537-E573 HydrophobicContact CG-CG 4.36Å; R537-E573 IonicContact CZ-OE1 3.7Å; R537-E573 IonicContact NE-OE1 2.7Å; R537-E573 PolarHBondContact NE-OE1 2.87Å; R537-E573 IonicContact NH2-OE1 2.71Å; R537-E573 PolarHBondContact NH2-OE1 3.33Å |
| 538 | P | 91 | Very high | 90.1 | Very high | 116 Ų | 116 | 52.5 Ų | 52.5 | 75% | 0.753 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -69.2 | -21.9 | 179.3 | -19.6 | 33.9 | 0 | 0 | 0 | 114.9 | Y535 I536 | Y535-P538 WeakPolarHBondContact O-CD 3.39Å; I536-P538 VanDerWaalsContact C-N 3.3Å; I536-P538 WeakPolarHBondContact O-CD 3.5Å |
| 539 | C | 91.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 52.3 Ų | 52.3 | 10% | 0.095 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -120.7 | 6.9 | -174.4 | 63.4 | 0 | 0 | 0 | 0 | 113.4 | R503 I536 R537 R541 Q542 V543 | R503-C539 WeakPolarHBondContact CD-SG 3.39Å; R503-C539 PolarHBondContact NH1-SG 3.21Å; I536-C539 CarbonylContact O-C 3.45Å; I536-C539 PolarHBondContact O-N 3.37Å; I536-C539 PolarHBondContact O-SG 3.44Å; R537-C539 VanDerWaalsContact C-N 3.29Å; R537-C539 PolarHBondContact O-N 3.4Å; C539-R541 PolarHBondContact O-N 2.94Å; C539-Q542 WeakPolarHBondContact O-CB 3.44Å; C539-Q542 PolarHBondContact O-N 2.95Å; C539-V543 PolarHBondContact O-N 2.95Å; C539-V543 VanDerWaalsContact O-N 3.1Å |
| 540 | I | 91.4 | Very high | 90.3 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.7 | -37.7 | -176.4 | -173.7 | 58.6 | 0 | 0 | 0 | 112.6 | I536 R537 Q542 V543 M544 M566 Y570 E573 M574 | I536-I540 HydrophobicContact CG2-CB 4.32Å; I536-I540 HydrophobicContact CG2-CD1 3.91Å; I536-I540 PolarHBondContact O-N 3.47Å; R537-I540 VanDerWaalsContact O-CG2 3.32Å; R537-I540 WeakPolarHBondContact O-CG2 3.09Å; I540-Q542 VanDerWaalsContact C-N 3.3Å; I540-Q542 PolarHBondContact O-N 2.96Å; I540-V543 HydrophobicContact CD1-CB 4.43Å; I540-V543 HydrophobicContact CD1-CG1 4.46Å; I540-V543 WeakPolarHBondContact O-CB 3.36Å; I540-V543 PolarHBondContact O-N 3.33Å; I540-M544 HydrophobicContact CD1-CG 4.03Å; I540-M544 HydrophobicContact CD1-SD 4.19Å; I540-M544 HydrophobicContact CG1-CG 4.15Å; I540-M544 VanDerWaalsContact O-CG 3.31Å; I540-M544 WeakPolarHBondContact O-CG 3.36Å; I540-M544 PolarHBondContact O-N 3.35Å; I540-M566 HydrophobicContact CD1-CE 3.53Å; I540-Y570 HydrophobicContact CD1-CD2 3.52Å; I540-Y570 HydrophobicContact CD1-CE2 3.62Å; I540-Y570 HydrophobicContact CD1-CG 4.15Å; I540-Y570 HydrophobicContact CG1-CD1 4.39Å; I540-Y570 HydrophobicContact CG1-CD2 3.8Å; I540-Y570 HydrophobicContact CG1-CE2 4.24Å; I540-Y570 HydrophobicContact CG1-CG 3.9Å; I540-E573 HydrophobicContact CG2-CB 3.86Å; I540-E573 HydrophobicContact CG2-CG 4.08Å; I540-M574 HydrophobicContact CB-CE 4.32Å; I540-M574 HydrophobicContact CD1-CE 4.32Å; I540-M574 HydrophobicContact CG1-CE 3.32Å; I540-M574 HydrophobicContact CG2-CE 4Å |
| 541 | R | 89.3 | Confident | 90.4 | Very high | 137 Ų | 137 | 46.3 Ų | 46.3 | 52% | 0.517 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.6 | -43.4 | 175.8 | -178.6 | 178.1 | -65.2 | 173.1 | -2 | 112.3 | C539 Q545 I577 | C539-R541 PolarHBondContact O-N 2.94Å; R541-Q545 WeakPolarHBondContact O-CB 3.41Å; R541-Q545 VanDerWaalsContact O-CG 3.25Å; R541-Q545 WeakPolarHBondContact O-CG 3.37Å; R541-Q545 PolarHBondContact O-N 3.42Å; R541-I577 HydrophobicContact CG-CG2 4.18Å |
| 542 | Q | 91.4 | Very high | 90.2 | Very high | 91 Ų | 91 | 46.4 Ų | 46.4 | 43% | 0.425 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.9 | -40.3 | 178.9 | -172.2 | 179 | 0.4 | 0 | 0 | 110.8 | I507 C539 I540 Q545 E546 | I507-Q542 HydrophobicContact CD1-CG 4.05Å; I507-Q542 HydrophobicContact CG2-CG 4.33Å; C539-Q542 WeakPolarHBondContact O-CB 3.44Å; C539-Q542 PolarHBondContact O-N 2.95Å; I540-Q542 VanDerWaalsContact C-N 3.3Å; I540-Q542 PolarHBondContact O-N 2.96Å; Q542-Q545 PolarHBondContact O-N 3.39Å; Q542-E546 PolarHBondContact O-N 3.38Å |
| 543 | V | 93.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.9 | -49.6 | 174.5 | 170.5 | 0 | 0 | 0 | 0 | 110.8 | R503 L506 I507 L522 I536 C539 I540 Q545 E546 L547 M566 | R503-V543 HydrophobicContact CG-CG2 4.34Å; L506-V543 HydrophobicContact CD2-CG1 3.86Å; I507-V543 HydrophobicContact CD1-CG2 4.16Å; L522-V543 HydrophobicContact CD2-CG1 3.8Å; L522-V543 HydrophobicContact CD2-CG2 4.26Å; I536-V543 HydrophobicContact CG2-CG2 4.41Å; C539-V543 PolarHBondContact O-N 2.95Å; C539-V543 VanDerWaalsContact O-N 3.1Å; I540-V543 HydrophobicContact CD1-CB 4.43Å; I540-V543 HydrophobicContact CD1-CG1 4.46Å; I540-V543 WeakPolarHBondContact O-CB 3.36Å; I540-V543 PolarHBondContact O-N 3.33Å; V543-Q545 PolarHBondContact O-N 2.73Å; V543-E546 PolarHBondContact O-N 3.11Å; V543-L547 HydrophobicContact CG1-CD1 3.97Å; V543-L547 HydrophobicContact CG1-CG 4.35Å; V543-L547 VanDerWaalsContact O-CG 3.31Å; V543-L547 WeakPolarHBondContact O-CG 3.28Å; V543-L547 PolarHBondContact O-N 3.12Å; V543-M566 HydrophobicContact CG1-CE 4.13Å |
| 544 | M | 90.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -37 | -179.6 | -64.2 | -55.6 | -70.8 | 0 | 0 | 112.8 | I540 L547 L548 I563 M566 I567 M574 I577 M581 | I540-M544 HydrophobicContact CD1-CG 4.03Å; I540-M544 HydrophobicContact CD1-SD 4.19Å; I540-M544 HydrophobicContact CG1-CG 4.15Å; I540-M544 VanDerWaalsContact O-CG 3.31Å; I540-M544 WeakPolarHBondContact O-CG 3.36Å; I540-M544 PolarHBondContact O-N 3.35Å; M544-L547 PolarHBondContact O-N 2.77Å; M544-L547 HydrophobicContact SD-CD1 3.83Å; M544-L548 WeakPolarHBondContact O-CG 3.48Å; M544-L548 PolarHBondContact O-N 2.92Å; M544-I563 HydrophobicContact CE-CB 4.44Å; M544-I563 HydrophobicContact CE-CG1 4.5Å; M544-I563 HydrophobicContact CE-CG2 3.83Å; M544-M566 HydrophobicContact CE-CB 4.3Å; M544-M566 HydrophobicContact SD-CB 3.77Å; M544-I567 HydrophobicContact CE-CG1 3.98Å; M544-M574 HydrophobicContact CE-SD 4.12Å; M544-M574 HydrophobicContact CG-CE 3.95Å; M544-M574 HydrophobicContact CG-SD 3.77Å; M544-M574 HydrophobicContact SD-SD 4.39Å; M544-I577 HydrophobicContact CB-CD1 4.17Å; M544-I577 HydrophobicContact CG-CD1 4.46Å; M544-M581 HydrophobicContact CE-CE 3.34Å; M544-M581 HydrophobicContact CE-SD 4.2Å |
| 545 | Q | 89.5 | Confident | 89.3 | Confident | 113 Ų | 113 | 47.7 Ų | 47.7 | 53% | 0.528 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -44.6 | 174.7 | -76.5 | 173.5 | -15 | 0 | 0 | 111.8 | R541 Q542 V543 H549 | R541-Q545 WeakPolarHBondContact O-CB 3.41Å; R541-Q545 VanDerWaalsContact O-CG 3.25Å; R541-Q545 WeakPolarHBondContact O-CG 3.37Å; R541-Q545 PolarHBondContact O-N 3.42Å; Q542-Q545 PolarHBondContact O-N 3.39Å; V543-Q545 PolarHBondContact O-N 2.73Å; Q545-H549 PolarHBondContact O-N 2.84Å; Q545-H549 VanDerWaalsContact O-N 3.08Å |
| 546 | E | 92.7 | Very high | 88.9 | Confident | 47 Ų | 47 | 45.1 Ų | 45.1 | 22% | 0.22 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.5 | -39.7 | 175.4 | -72.8 | -63.3 | 132.8 | 0 | 0 | 111.7 | I507 K515 Q542 V543 L548 H549 V550 | I507-E546 HydrophobicContact CG1-CG 4.38Å; I507-E546 HydrophobicContact CG2-CG 4.46Å; K515-E546 IonicContact NZ-OE2 3.95Å; K515-E546 PolarHBondContact NZ-OE2 3.32Å; Q542-E546 PolarHBondContact O-N 3.38Å; V543-E546 PolarHBondContact O-N 3.11Å; E546-L548 PolarHBondContact O-N 3.32Å; E546-H549 WeakPolarHBondContact O-CB 3.44Å; E546-H549 PolarHBondContact O-N 3.01Å; E546-H549 VanDerWaalsContact O-N 3.13Å; E546-V550 VanDerWaalsContact O-CG2 3.28Å; E546-V550 WeakPolarHBondContact O-CG2 3.43Å; E546-V550 PolarHBondContact O-N 3.18Å |
| 547 | L | 91.4 | Very high | 88.4 | Confident | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -46.3 | 175.4 | -73.1 | 173 | 0 | 0 | 0 | 111.9 | L506 A519 V543 M544 H549 V550 V551 V562 I563 | L506-L547 HydrophobicContact CD1-CD2 4.12Å; L506-L547 HydrophobicContact CD2-CD2 4.04Å; L506-L547 HydrophobicContact CD2-CG 4.27Å; A519-L547 HydrophobicContact CB-CD2 3.31Å; V543-L547 HydrophobicContact CG1-CD1 3.97Å; V543-L547 HydrophobicContact CG1-CG 4.35Å; V543-L547 VanDerWaalsContact O-CG 3.31Å; V543-L547 WeakPolarHBondContact O-CG 3.28Å; V543-L547 PolarHBondContact O-N 3.12Å; M544-L547 PolarHBondContact O-N 2.77Å; M544-L547 HydrophobicContact SD-CD1 3.83Å; L547-H549 VanDerWaalsContact C-N 3.3Å; L547-H549 PolarHBondContact O-N 2.66Å; L547-V550 PolarHBondContact O-N 2.92Å; L547-V551 WeakPolarHBondContact O-CG2 3.24Å; L547-V551 PolarHBondContact O-N 3.4Å; L547-V562 HydrophobicContact CD1-CG1 4.08Å; L547-V562 HydrophobicContact CD2-CG1 3.96Å; L547-I563 HydrophobicContact CB-CD1 4.25Å; L547-I563 HydrophobicContact CB-CG1 4.01Å; L547-I563 HydrophobicContact CD1-CG1 4.35Å |
| 548 | L | 86.8 | Confident | 88.1 | Confident | 13 Ų | 13 | 45 Ų | 45 | 7% | 0.068 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.5 | -38 | 175.6 | -73.3 | 171.4 | 0 | 0 | 0 | 112.3 | M544 E546 R552 I563 M581 N584 L585 | M544-L548 WeakPolarHBondContact O-CG 3.48Å; M544-L548 PolarHBondContact O-N 2.92Å; E546-L548 PolarHBondContact O-N 3.32Å; L548-R552 WeakPolarHBondContact O-CB 3.13Å; L548-R552 PolarHBondContact O-N 2.95Å; L548-R552 VanDerWaalsContact O-N 3.1Å; L548-I563 HydrophobicContact CD2-CD1 3.9Å; L548-I563 HydrophobicContact CG-CD1 4.4Å; L548-M581 HydrophobicContact CD1-CB 4.18Å; L548-M581 HydrophobicContact CD1-CG 3.83Å; L548-N584 HydrophobicContact CD1-CB 4.41Å; L548-L585 HydrophobicContact CD2-CD2 3.77Å; L548-L585 HydrophobicContact CD2-CG 3.97Å |
| 549 | H | 89.4 | Confident | 87.9 | Confident | 75 Ų | 75 | 39.4 Ų | 39.4 | 35% | 0.347 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.7 | -45.4 | 174.4 | 175.9 | 43 | 0 | 0 | 0 | 111.6 | Q545 E546 L547 R552 E553 | Q545-H549 PolarHBondContact O-N 2.84Å; Q545-H549 VanDerWaalsContact O-N 3.08Å; E546-H549 WeakPolarHBondContact O-CB 3.44Å; E546-H549 PolarHBondContact O-N 3.01Å; E546-H549 VanDerWaalsContact O-N 3.13Å; L547-H549 VanDerWaalsContact C-N 3.3Å; L547-H549 PolarHBondContact O-N 2.66Å; H549-R552 WeakPolarHBondContact O-CB 3.44Å; H549-R552 PolarHBondContact O-N 3.09Å; H549-E553 VanDerWaalsContact CE1-CG 3.43Å; H549-E553 WeakPolarHBondContact CE1-CG 3.5Å; H549-E553 IonicContact CE1-OE1 2.65Å; H549-E553 WeakPolarHBondContact O-CG 3.29Å; H549-E553 PolarHBondContact O-N 3.4Å; H549-E553 VanDerWaalsContact O-N 3.15Å |
| 550 | V | 90.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.7 | -48.2 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 110.3 | M512 K515 V516 E546 L547 R552 E553 T554 L559 | M512-V550 HydrophobicContact SD-CB 4.34Å; M512-V550 HydrophobicContact SD-CG1 3.87Å; M512-V550 HydrophobicContact SD-CG2 4.09Å; K515-V550 HydrophobicContact CB-CG2 3.87Å; K515-V550 HydrophobicContact CD-CG2 3.79Å; K515-V550 HydrophobicContact CG-CG2 4.5Å; V516-V550 HydrophobicContact CG2-CG1 3.84Å; E546-V550 VanDerWaalsContact O-CG2 3.28Å; E546-V550 WeakPolarHBondContact O-CG2 3.43Å; E546-V550 PolarHBondContact O-N 3.18Å; L547-V550 PolarHBondContact O-N 2.92Å; V550-R552 VanDerWaalsContact C-N 3.26Å; V550-R552 PolarHBondContact O-N 2.8Å; V550-E553 PolarHBondContact O-N 3.41Å; V550-T554 HydrophobicContact CG1-CG2 3.9Å; V550-T554 PolarHBondContact O-N 3Å; V550-T554 PolarHBondContact O-OG1 2.74Å; V550-L559 HydrophobicContact CB-CD1 4.18Å; V550-L559 HydrophobicContact CG1-CD1 3.39Å |
| 551 | V | 87.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.6 | -44.4 | 176.5 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | L547 E553 E555 L559 I563 I588 M607 | L547-V551 WeakPolarHBondContact O-CG2 3.24Å; L547-V551 PolarHBondContact O-N 3.4Å; V551-E553 VanDerWaalsContact C-N 3.3Å; V551-E553 PolarHBondContact O-N 3.34Å; V551-E555 PolarHBondContact O-N 2.79Å; V551-L559 HydrophobicContact CG2-CB 3.46Å; V551-L559 VanDerWaalsContact CG2-CB 3.46Å; V551-L559 HydrophobicContact CG2-CD1 4.12Å; V551-L559 HydrophobicContact CG2-CG 4.48Å; V551-I563 HydrophobicContact CG2-CD1 3.74Å; V551-I588 HydrophobicContact CG1-CD1 4.35Å; V551-M607 HydrophobicContact CG1-CE 4.36Å |
| 552 | R | 84.8 | Confident | 87.7 | Confident | 90 Ų | 90 | 35.3 Ų | 35.3 | 34% | 0.34 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -63.8 | -34.6 | -179.9 | -176.9 | -178.2 | -169 | -178.7 | 11.8 | 113.3 | L548 H549 V550 I588 | L548-R552 WeakPolarHBondContact O-CB 3.13Å; L548-R552 PolarHBondContact O-N 2.95Å; L548-R552 VanDerWaalsContact O-N 3.1Å; H549-R552 WeakPolarHBondContact O-CB 3.44Å; H549-R552 PolarHBondContact O-N 3.09Å; V550-R552 VanDerWaalsContact C-N 3.26Å; V550-R552 PolarHBondContact O-N 2.8Å; R552-I588 HydrophobicContact CB-CD1 3.88Å; R552-I588 HydrophobicContact CB-CG1 4.1Å; R552-I588 HydrophobicContact CG-CD1 4.42Å; R552-I588 HydrophobicContact CG-CG1 4.1Å |
| 553 | E | 86.4 | Confident | 87.7 | Confident | 77 Ų | 77 | 31 Ų | 31 | 36% | 0.36 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -88.9 | -37.7 | -176.2 | -66.5 | -68.1 | 137.5 | 0 | 0 | 112.1 | Y374 M512 H549 V550 V551 | Y374-E553 WeakPolarHBondContact CD1-O 3.39Å; Y374-E553 HydrophobicContact CE1-CB 4.04Å; Y374-E553 WeakPolarHBondContact CE1-O 3.4Å; Y374-E553 PolarHBondContact OH-OE2 2.76Å; M512-E553 HydrophobicContact CE-CB 3.77Å; M512-E553 HydrophobicContact CE-CG 4.12Å; H549-E553 VanDerWaalsContact CE1-CG 3.43Å; H549-E553 WeakPolarHBondContact CE1-CG 3.5Å; H549-E553 IonicContact CE1-OE1 2.65Å; H549-E553 WeakPolarHBondContact O-CG 3.29Å; H549-E553 PolarHBondContact O-N 3.4Å; H549-E553 VanDerWaalsContact O-N 3.15Å; V550-E553 PolarHBondContact O-N 3.41Å; V551-E553 VanDerWaalsContact C-N 3.3Å; V551-E553 PolarHBondContact O-N 3.34Å |
| 554 | T | 83.7 | Confident | 87.4 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -91.3 | -21.1 | -174.1 | 63 | 0 | 0 | 0 | 0 | 114.3 | Y374 I377 M512 V516 V550 N556 | Y374-T554 HydrophobicContact CD1-CG2 4.37Å; Y374-T554 HydrophobicContact CE1-CG2 4.45Å; I377-T554 HydrophobicContact CD1-CG2 3.77Å; M512-T554 HydrophobicContact CG-CG2 3.18Å; M512-T554 HydrophobicContact SD-CG2 3.75Å; V516-T554 HydrophobicContact CG2-CG2 3.87Å; V550-T554 HydrophobicContact CG1-CG2 3.9Å; V550-T554 PolarHBondContact O-N 3Å; V550-T554 PolarHBondContact O-OG1 2.74Å; T554-N556 PolarHBondContact O-N 3.49Å; T554-N556 WeakPolarHBondContact OG1-CB 3.39Å |
| 555 | E | 80.7 | Confident | 87.4 | Confident | 53 Ų | 53 | 37.2 Ų | 37.2 | 25% | 0.248 | 18% | 0.175 | C | C | . | . | trans | 53.2 | 37.7 | -174.4 | -61.6 | -176.7 | 170.8 | 0 | 0 | 112.2 | R378 V551 M607 | R378-E555 IonicContact NH2-OE2 3.56Å; R378-E555 PolarHBondContact NH2-OE2 3.21Å; V551-E555 PolarHBondContact O-N 2.79Å; E555-M607 WeakPolarHBondContact CA-SD 3.11Å; E555-M607 HydrophobicContact CB-CE 4.01Å; E555-M607 HydrophobicContact CB-SD 3.39Å; E555-M607 WeakPolarHBondContact CB-SD 3.31Å; E555-M607 HydrophobicContact CG-CE 3.98Å; E555-M607 HydrophobicContact CG-SD 3.84Å | ||
| 556 | N | 82 | Confident | 87.5 | Confident | 11 Ų | 11 | 32 Ų | 32 | 6% | 0.059 | 15% | 0.15 | C | C | . | . | trans | -100.7 | 126.2 | -176.3 | 176.1 | -74.9 | 0 | 0 | 0 | 110 | I377 F381 T554 D558 L559 | I377-N556 HydrophobicContact CG2-CB 4.37Å; F381-N556 WeakPolarHBondContact CB-ND2 3.46Å; F381-N556 WeakPolarHBondContact CG-ND2 3.4Å; T554-N556 PolarHBondContact O-N 3.49Å; T554-N556 WeakPolarHBondContact OG1-CB 3.39Å; N556-D558 WeakPolarHBondContact OD1-CB 3.17Å; N556-D558 PolarHBondContact OD1-N 3.27Å; N556-L559 HydrophobicContact CB-CD1 4.27Å; N556-L559 HydrophobicContact CB-CG 4.41Å; N556-L559 PolarHBondContact OD1-N 3.33Å | ||
| 557 | D | 82.1 | Confident | 87.3 | Confident | 40 Ų | 40 | 29.8 Ų | 29.8 | 21% | 0.214 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -32.8 | -176.3 | -177.9 | 56.2 | 0 | 0 | 0 | 113.9 | L559 T560 V606 G610 | D557-L559 PolarHBondContact O-N 3.18Å; D557-T560 WeakPolarHBondContact O-CB 3.38Å; D557-T560 PolarHBondContact O-N 2.85Å; D557-T560 PolarHBondContact O-OG1 3.29Å; D557-T560 PolarHBondContact OD1-OG1 2.95Å; D557-V606 HydrophobicContact CB-CG1 4.19Å; D557-G610 WeakPolarHBondContact OD1-CA 3.42Å |
| 558 | D | 84 | Confident | 87.2 | Confident | 56 Ų | 56 | 33.2 Ų | 33.2 | 30% | 0.299 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -57.3 | -27.2 | 178.6 | -63.8 | -64.7 | 0 | 0 | 0 | 112.7 | F381 I520 N556 N561 V562 | F381-D558 WeakPolarHBondContact CD1-OD2 3.4Å; I520-D558 HydrophobicContact CD1-CB 4.42Å; N556-D558 WeakPolarHBondContact OD1-CB 3.17Å; N556-D558 PolarHBondContact OD1-N 3.27Å; D558-N561 WeakPolarHBondContact O-CB 3.43Å; D558-N561 PolarHBondContact O-N 3.27Å; D558-V562 PolarHBondContact O-N 3.47Å; D558-V562 VanDerWaalsContact O-N 3.15Å |
| 559 | L | 88.1 | Confident | 87.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -72.9 | -24.1 | 176.4 | -63.7 | -179.4 | 0 | 0 | 0 | 113.8 | V516 A519 I520 V550 V551 N556 D557 V562 I563 | V516-L559 HydrophobicContact CG1-CD1 4.45Å; V516-L559 HydrophobicContact CG1-CD2 4.14Å; V516-L559 HydrophobicContact CG1-CG 4.37Å; V516-L559 HydrophobicContact CG2-CD1 4.23Å; A519-L559 HydrophobicContact CB-CD2 3.61Å; I520-L559 HydrophobicContact CG1-CD2 4.47Å; V550-L559 HydrophobicContact CB-CD1 4.18Å; V550-L559 HydrophobicContact CG1-CD1 3.39Å; V551-L559 HydrophobicContact CG2-CB 3.46Å; V551-L559 VanDerWaalsContact CG2-CB 3.46Å; V551-L559 HydrophobicContact CG2-CD1 4.12Å; V551-L559 HydrophobicContact CG2-CG 4.48Å; N556-L559 HydrophobicContact CB-CD1 4.27Å; N556-L559 HydrophobicContact CB-CG 4.41Å; N556-L559 PolarHBondContact OD1-N 3.33Å; D557-L559 PolarHBondContact O-N 3.18Å; L559-V562 WeakPolarHBondContact O-CB 3.28Å; L559-V562 PolarHBondContact O-N 2.7Å; L559-I563 WeakPolarHBondContact O-CG1 3.5Å; L559-I563 PolarHBondContact O-N 2.9Å |
| 560 | T | 87.3 | Confident | 87.3 | Confident | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.3 | -46.4 | 172.9 | 71.5 | 0 | 0 | 0 | 0 | 109.3 | D557 V562 I563 Q564 I611 | D557-T560 WeakPolarHBondContact O-CB 3.38Å; D557-T560 PolarHBondContact O-N 2.85Å; D557-T560 PolarHBondContact O-OG1 3.29Å; D557-T560 PolarHBondContact OD1-OG1 2.95Å; T560-V562 VanDerWaalsContact C-N 3.29Å; T560-V562 PolarHBondContact O-N 2.98Å; T560-I563 WeakPolarHBondContact O-CB 3.47Å; T560-I563 PolarHBondContact O-N 3.39Å; T560-Q564 WeakPolarHBondContact O-CG 3.28Å; T560-Q564 PolarHBondContact O-N 3.31Å; T560-I611 HydrophobicContact CG2-CG1 4.29Å |
| 561 | N | 88.7 | Confident | 87 | Confident | 65 Ų | 65 | 36.1 Ų | 36.1 | 35% | 0.348 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.5 | -38 | 172.6 | -70.4 | -48.4 | 0 | 0 | 0 | 112.7 | D558 K565 | D558-N561 WeakPolarHBondContact O-CB 3.43Å; D558-N561 PolarHBondContact O-N 3.27Å; N561-K565 WeakPolarHBondContact O-CG 3.46Å; N561-K565 PolarHBondContact O-N 3.4Å; N561-K565 VanDerWaalsContact O-N 3.13Å |
| 562 | V | 90.9 | Very high | 86.9 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.024 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 174 | 164.6 | 0 | 0 | 0 | 0 | 111 | A519 I520 Q523 L547 D558 L559 T560 K565 M566 | A519-V562 HydrophobicContact CB-CG1 4.37Å; I520-V562 HydrophobicContact CG1-CG2 4Å; Q523-V562 HydrophobicContact CB-CB 4.39Å; Q523-V562 HydrophobicContact CB-CG1 3.83Å; Q523-V562 HydrophobicContact CB-CG2 4.15Å; Q523-V562 HydrophobicContact CG-CB 4.47Å; Q523-V562 HydrophobicContact CG-CG1 4.28Å; Q523-V562 HydrophobicContact CG-CG2 4.37Å; L547-V562 HydrophobicContact CD1-CG1 4.08Å; L547-V562 HydrophobicContact CD2-CG1 3.96Å; D558-V562 PolarHBondContact O-N 3.47Å; D558-V562 VanDerWaalsContact O-N 3.15Å; L559-V562 WeakPolarHBondContact O-CB 3.28Å; L559-V562 PolarHBondContact O-N 2.7Å; T560-V562 VanDerWaalsContact C-N 3.29Å; T560-V562 PolarHBondContact O-N 2.98Å; V562-K565 PolarHBondContact O-N 3.29Å; V562-M566 HydrophobicContact CG1-CG 4.38Å; V562-M566 WeakPolarHBondContact O-CB 3.23Å; V562-M566 WeakPolarHBondContact O-CG 3.27Å; V562-M566 PolarHBondContact O-N 3.43Å |
| 563 | I | 90.4 | Very high | 87 | Confident | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.4 | -46.9 | 178.9 | -71.2 | 173.5 | 0 | 0 | 0 | 110.7 | M544 L547 L548 V551 L559 T560 K565 M566 I567 M581 T614 | M544-I563 HydrophobicContact CE-CB 4.44Å; M544-I563 HydrophobicContact CE-CG1 4.5Å; M544-I563 HydrophobicContact CE-CG2 3.83Å; L547-I563 HydrophobicContact CB-CD1 4.25Å; L547-I563 HydrophobicContact CB-CG1 4.01Å; L547-I563 HydrophobicContact CD1-CG1 4.35Å; L548-I563 HydrophobicContact CD2-CD1 3.9Å; L548-I563 HydrophobicContact CG-CD1 4.4Å; V551-I563 HydrophobicContact CG2-CD1 3.74Å; L559-I563 WeakPolarHBondContact O-CG1 3.5Å; L559-I563 PolarHBondContact O-N 2.9Å; T560-I563 WeakPolarHBondContact O-CB 3.47Å; T560-I563 PolarHBondContact O-N 3.39Å; I563-K565 PolarHBondContact O-N 3.36Å; I563-M566 PolarHBondContact O-N 2.93Å; I563-I567 HydrophobicContact CG2-CD1 3.58Å; I563-I567 HydrophobicContact CG2-CG1 4.33Å; I563-I567 WeakPolarHBondContact O-CD1 3.48Å; I563-I567 VanDerWaalsContact O-CG1 3.28Å; I563-I567 WeakPolarHBondContact O-CG1 3.33Å; I563-I567 PolarHBondContact O-N 3.02Å; I563-M581 HydrophobicContact CG2-CE 4.05Å; I563-T614 HydrophobicContact CB-CG2 4.25Å; I563-T614 HydrophobicContact CG2-CG2 3.56Å |
| 564 | Q | 89.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 37 Ų | 37 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -54.5 | -52.5 | 178 | -71 | 178 | 0.4 | 0 | 0 | 112.2 | T560 M566 I567 C568 S613 T614 T617 | T560-Q564 WeakPolarHBondContact O-CG 3.28Å; T560-Q564 PolarHBondContact O-N 3.31Å; Q564-M566 VanDerWaalsContact C-N 3.31Å; Q564-M566 PolarHBondContact O-N 3.43Å; Q564-I567 WeakPolarHBondContact O-CB 3.38Å; Q564-I567 PolarHBondContact O-N 3.39Å; Q564-I567 VanDerWaalsContact O-N 3.1Å; Q564-C568 PolarHBondContact O-N 3.11Å; Q564-C568 VanDerWaalsContact O-N 3.12Å; Q564-C568 PolarHBondContact O-SG 3.06Å; Q564-C568 VanDerWaalsContact O-SG 3.42Å; Q564-S613 PolarHBondContact NE2-O 3.33Å; Q564-S613 PolarHBondContact NE2-OG 3.36Å; Q564-T614 HydrophobicContact CG-CG2 4.04Å; Q564-T614 VanDerWaalsContact NE2-N 3.17Å; Q564-T614 PolarHBondContact NE2-OG1 2.75Å; Q564-T617 HydrophobicContact CB-CG2 4.23Å; Q564-T617 HydrophobicContact CG-CG2 4.36Å |
| 565 | K | 90.3 | Very high | 87 | Confident | 104 Ų | 104 | 37.7 Ų | 37.7 | 45% | 0.452 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.1 | -40 | 179.5 | -70.8 | -178.6 | -175.7 | 172.9 | 0 | 111.9 | Q523 N561 V562 I563 I567 C568 E569 | Q523-K565 VanDerWaalsContact CD-CD 3.48Å; Q523-K565 HydrophobicContact CG-CB 3.86Å; Q523-K565 HydrophobicContact CG-CD 4.22Å; N561-K565 WeakPolarHBondContact O-CG 3.46Å; N561-K565 PolarHBondContact O-N 3.4Å; N561-K565 VanDerWaalsContact O-N 3.13Å; V562-K565 PolarHBondContact O-N 3.29Å; I563-K565 PolarHBondContact O-N 3.36Å; K565-I567 VanDerWaalsContact C-N 3.31Å; K565-I567 PolarHBondContact O-N 3.29Å; K565-C568 PolarHBondContact O-N 3.15Å; K565-E569 VanDerWaalsContact O-CG 3.28Å; K565-E569 WeakPolarHBondContact O-CG 3.33Å; K565-E569 PolarHBondContact O-N 2.8Å |
| 566 | M | 90.8 | Very high | 87.2 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -35 | 176.3 | -66.3 | -68.3 | -76.2 | 0 | 0 | 111.9 | Q523 V526 I536 I540 V543 M544 V562 I563 Q564 E569 Y570 | Q523-M566 HydrophobicContact CB-CG 4.39Å; Q523-M566 HydrophobicContact CB-SD 4.25Å; Q523-M566 HydrophobicContact CG-CG 4.33Å; Q523-M566 HydrophobicContact CG-SD 4.44Å; V526-M566 HydrophobicContact CB-SD 4.23Å; V526-M566 HydrophobicContact CG1-SD 4.06Å; V526-M566 HydrophobicContact CG2-SD 4.37Å; I536-M566 HydrophobicContact CG2-CE 4.45Å; I540-M566 HydrophobicContact CD1-CE 3.53Å; V543-M566 HydrophobicContact CG1-CE 4.13Å; M544-M566 HydrophobicContact CE-CB 4.3Å; M544-M566 HydrophobicContact SD-CB 3.77Å; V562-M566 HydrophobicContact CG1-CG 4.38Å; V562-M566 WeakPolarHBondContact O-CB 3.23Å; V562-M566 WeakPolarHBondContact O-CG 3.27Å; V562-M566 PolarHBondContact O-N 3.43Å; I563-M566 PolarHBondContact O-N 2.93Å; Q564-M566 VanDerWaalsContact C-N 3.31Å; Q564-M566 PolarHBondContact O-N 3.43Å; M566-E569 PolarHBondContact O-N 3.37Å; M566-Y570 HydrophobicContact CE-CD2 4.4Å; M566-Y570 HydrophobicContact CE-CE2 3.78Å; M566-Y570 VanDerWaalsContact O-CD2 3.27Å; M566-Y570 WeakPolarHBondContact O-CD2 3.44Å; M566-Y570 PolarHBondContact O-N 3.26Å; M566-Y570 HydrophobicContact SD-CE2 4.21Å |
| 567 | I | 89.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.9 | -45.3 | 176.4 | -68.1 | 154.5 | 0 | 0 | 0 | 111.3 | M544 I563 Q564 K565 E569 Y570 N571 M574 M581 T614 I618 V621 | M544-I567 HydrophobicContact CE-CG1 3.98Å; I563-I567 HydrophobicContact CG2-CD1 3.58Å; I563-I567 HydrophobicContact CG2-CG1 4.33Å; I563-I567 WeakPolarHBondContact O-CD1 3.48Å; I563-I567 VanDerWaalsContact O-CG1 3.28Å; I563-I567 WeakPolarHBondContact O-CG1 3.33Å; I563-I567 PolarHBondContact O-N 3.02Å; Q564-I567 WeakPolarHBondContact O-CB 3.38Å; Q564-I567 PolarHBondContact O-N 3.39Å; Q564-I567 VanDerWaalsContact O-N 3.1Å; K565-I567 VanDerWaalsContact C-N 3.31Å; K565-I567 PolarHBondContact O-N 3.29Å; I567-E569 VanDerWaalsContact C-N 3.29Å; I567-E569 PolarHBondContact O-N 3.43Å; I567-Y570 CarbonylContact O-C 3.47Å; I567-Y570 PolarHBondContact O-N 3.04Å; I567-N571 PolarHBondContact O-N 3.2Å; I567-M574 HydrophobicContact CB-CG 4.35Å; I567-M574 HydrophobicContact CG1-CG 4.24Å; I567-M574 HydrophobicContact CG2-CG 4.29Å; I567-M581 HydrophobicContact CD1-CE 3.93Å; I567-M581 HydrophobicContact CG1-CE 4.03Å; I567-T614 HydrophobicContact CD1-CG2 4.32Å; I567-I618 HydrophobicContact CD1-CD1 4.03Å; I567-I618 HydrophobicContact CD1-CG1 3.46Å; I567-I618 VanDerWaalsContact CD1-CG1 3.46Å; I567-I618 HydrophobicContact CG1-CG1 4.44Å; I567-V621 HydrophobicContact CG2-CB 4.16Å; I567-V621 HydrophobicContact CG2-CG1 4.18Å; I567-V621 HydrophobicContact CG2-CG2 4.16Å |
| 568 | C | 88.5 | Confident | 87.7 | Confident | 73 Ų | 73 | 36.9 Ų | 36.9 | 49% | 0.493 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61 | -37.4 | 178.6 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | Q564 K565 | Q564-C568 PolarHBondContact O-N 3.11Å; Q564-C568 VanDerWaalsContact O-N 3.12Å; Q564-C568 PolarHBondContact O-SG 3.06Å; Q564-C568 VanDerWaalsContact O-SG 3.42Å; K565-C568 PolarHBondContact O-N 3.15Å |
| 569 | E | 89.3 | Confident | 88 | Confident | 64 Ų | 64 | 35.9 Ų | 35.9 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -77.1 | -23.6 | -178.7 | -64.6 | -69.4 | -175.6 | 0 | 0 | 114 | V526 K533 K565 M566 I567 | V526-E569 HydrophobicContact CG1-CB 4.31Å; V526-E569 HydrophobicContact CG1-CG 4.34Å; K533-E569 WeakPolarHBondContact CE-OE2 3.28Å; K533-E569 IonicContact NZ-OE1 3.5Å; K533-E569 IonicContact NZ-OE2 2.81Å; K533-E569 PolarHBondContact NZ-OE2 3.4Å; K565-E569 VanDerWaalsContact O-CG 3.28Å; K565-E569 WeakPolarHBondContact O-CG 3.33Å; K565-E569 PolarHBondContact O-N 2.8Å; M566-E569 PolarHBondContact O-N 3.37Å; I567-E569 VanDerWaalsContact C-N 3.29Å; I567-E569 PolarHBondContact O-N 3.43Å |
| 570 | Y | 89.2 | Confident | 88.1 | Confident | 5 Ų | 5 | 41.1 Ų | 41.1 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -124.9 | 40.8 | -175.8 | -60.5 | -77.3 | 0 | 0 | 0 | 113.4 | V526 K533 I536 R537 I540 M566 I567 Q572 E573 M574 | V526-Y570 HydrophobicContact CG1-CE2 3.77Å; V526-Y570 WeakPolarHBondContact CG1-OH 3.44Å; K533-Y570 VanDerWaalsContact CA-OH 3.3Å; K533-Y570 WeakPolarHBondContact CA-OH 3.15Å; K533-Y570 HydrophobicContact CB-CE1 4.3Å; K533-Y570 PolarHBondContact O-OH 3.13Å; I536-Y570 WeakPolarHBondContact CB-OH 3.12Å; I536-Y570 HydrophobicContact CG2-CE2 4.46Å; R537-Y570 HydrophobicContact CB-CE1 4.26Å; I540-Y570 HydrophobicContact CD1-CD2 3.52Å; I540-Y570 HydrophobicContact CD1-CE2 3.62Å; I540-Y570 HydrophobicContact CD1-CG 4.15Å; I540-Y570 HydrophobicContact CG1-CD1 4.39Å; I540-Y570 HydrophobicContact CG1-CD2 3.8Å; I540-Y570 HydrophobicContact CG1-CE2 4.24Å; I540-Y570 HydrophobicContact CG1-CG 3.9Å; M566-Y570 HydrophobicContact CE-CD2 4.4Å; M566-Y570 HydrophobicContact CE-CE2 3.78Å; M566-Y570 VanDerWaalsContact O-CD2 3.27Å; M566-Y570 WeakPolarHBondContact O-CD2 3.44Å; M566-Y570 PolarHBondContact O-N 3.26Å; M566-Y570 HydrophobicContact SD-CE2 4.21Å; I567-Y570 CarbonylContact O-C 3.47Å; I567-Y570 PolarHBondContact O-N 3.04Å; Y570-Q572 VanDerWaalsContact C-N 3.31Å; Y570-Q572 PolarHBondContact O-N 2.89Å; Y570-Q572 VanDerWaalsContact O-N 3.15Å; Y570-E573 PolarHBondContact O-N 3.4Å; Y570-E573 VanDerWaalsContact O-N 3.14Å; Y570-M574 WeakPolarHBondContact O-CB 3.39Å; Y570-M574 VanDerWaalsContact O-CG 3.29Å; Y570-M574 WeakPolarHBondContact O-CG 3.2Å; Y570-M574 PolarHBondContact O-N 3.4Å |
| 571 | N | 84.6 | Confident | 88 | Confident | 81 Ų | 81 | 41.3 Ų | 41.3 | 43% | 0.433 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -45.6 | -46.8 | -175.6 | 59.9 | -0.9 | 0 | 0 | 0 | 114.7 | I567 M574 A575 V621 | I567-N571 PolarHBondContact O-N 3.2Å; N571-M574 PolarHBondContact O-N 3.02Å; N571-A575 PolarHBondContact O-N 3.38Å; N571-V621 HydrophobicContact CB-CG1 3.74Å |
| 572 | Q | 84.8 | Confident | 88.2 | Confident | 135 Ų | 135 | 38.2 Ų | 38.2 | 63% | 0.631 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -66.3 | -43.8 | -177.9 | -70.5 | 176.4 | 3.1 | 0 | 0 | 112.7 | Y570 | Y570-Q572 VanDerWaalsContact C-N 3.31Å; Y570-Q572 PolarHBondContact O-N 2.89Å; Y570-Q572 VanDerWaalsContact O-N 3.15Å |
| 573 | E | 86.3 | Confident | 88.3 | Confident | 48 Ų | 48 | 41 Ų | 41 | 22% | 0.224 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -72.3 | -33.3 | 179.4 | -68.7 | 70.8 | -158 | 0 | 0 | 111.7 | R537 I540 Y570 A575 | R537-E573 HydrophobicContact CG-CG 4.36Å; R537-E573 IonicContact CZ-OE1 3.7Å; R537-E573 IonicContact NE-OE1 2.7Å; R537-E573 PolarHBondContact NE-OE1 2.87Å; R537-E573 IonicContact NH2-OE1 2.71Å; R537-E573 PolarHBondContact NH2-OE1 3.33Å; I540-E573 HydrophobicContact CG2-CB 3.86Å; I540-E573 HydrophobicContact CG2-CG 4.08Å; Y570-E573 PolarHBondContact O-N 3.4Å; Y570-E573 VanDerWaalsContact O-N 3.14Å; E573-A575 VanDerWaalsContact C-N 3.35Å |
| 574 | M | 84.7 | Confident | 88.2 | Confident | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.015 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -32.4 | -179.5 | -72.5 | -45.6 | 100.9 | 0 | 0 | 112.4 | I540 M544 I567 Y570 N571 A576 I577 A578 M581 | I540-M574 HydrophobicContact CB-CE 4.32Å; I540-M574 HydrophobicContact CD1-CE 4.32Å; I540-M574 HydrophobicContact CG1-CE 3.32Å; I540-M574 HydrophobicContact CG2-CE 4Å; M544-M574 HydrophobicContact CE-SD 4.12Å; M544-M574 HydrophobicContact CG-CE 3.95Å; M544-M574 HydrophobicContact CG-SD 3.77Å; M544-M574 HydrophobicContact SD-SD 4.39Å; I567-M574 HydrophobicContact CB-CG 4.35Å; I567-M574 HydrophobicContact CG1-CG 4.24Å; I567-M574 HydrophobicContact CG2-CG 4.29Å; Y570-M574 WeakPolarHBondContact O-CB 3.39Å; Y570-M574 VanDerWaalsContact O-CG 3.29Å; Y570-M574 WeakPolarHBondContact O-CG 3.2Å; Y570-M574 PolarHBondContact O-N 3.4Å; N571-M574 PolarHBondContact O-N 3.02Å; M574-A576 PolarHBondContact O-N 2.85Å; M574-I577 HydrophobicContact CE-CD1 4.22Å; M574-I577 CarbonylContact O-C 3.55Å; M574-I577 WeakPolarHBondContact O-CG1 3.17Å; M574-I577 PolarHBondContact O-N 3.13Å; M574-I577 HydrophobicContact SD-CD1 3.91Å; M574-I577 HydrophobicContact SD-CG1 4.28Å; M574-A578 PolarHBondContact O-N 2.97Å; M574-M581 HydrophobicContact SD-SD 4.09Å |
| 575 | A | 85.3 | Confident | 88.3 | Confident | 16 Ų | 16 | 42.9 Ų | 42.9 | 13% | 0.132 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.4 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N571 E573 I577 M622 I628 | N571-A575 PolarHBondContact O-N 3.38Å; E573-A575 VanDerWaalsContact C-N 3.35Å; A575-I577 VanDerWaalsContact C-N 3.28Å; A575-I577 PolarHBondContact O-N 3.3Å; A575-M622 VanDerWaalsContact CA-SD 3.55Å; A575-M622 HydrophobicContact CB-CE 4.2Å; A575-M622 HydrophobicContact CB-SD 3.79Å; A575-I628 HydrophobicContact CB-CD1 3.8Å; A575-I628 VanDerWaalsContact O-CD1 3.28Å; A575-I628 WeakPolarHBondContact O-CD1 3.4Å |
| 576 | A | 84.8 | Confident | 88.4 | Confident | 70 Ų | 70 | 38 Ų | 38 | 58% | 0.579 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.9 | -15.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.7 | M574 | M574-A576 PolarHBondContact O-N 2.85Š|
| 577 | I | 86.8 | Confident | 88.3 | Confident | 15 Ų | 15 | 42 Ų | 42 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -2.8 | -176.6 | 59.9 | 171 | 0 | 0 | 0 | 113.4 | R541 M544 M574 A575 V579 D580 M581 | R541-I577 HydrophobicContact CG-CG2 4.18Å; M544-I577 HydrophobicContact CB-CD1 4.17Å; M544-I577 HydrophobicContact CG-CD1 4.46Å; M574-I577 HydrophobicContact CE-CD1 4.22Å; M574-I577 CarbonylContact O-C 3.55Å; M574-I577 WeakPolarHBondContact O-CG1 3.17Å; M574-I577 PolarHBondContact O-N 3.13Å; M574-I577 HydrophobicContact SD-CD1 3.91Å; M574-I577 HydrophobicContact SD-CG1 4.28Å; A575-I577 VanDerWaalsContact C-N 3.28Å; A575-I577 PolarHBondContact O-N 3.3Å; I577-V579 VanDerWaalsContact C-N 3.29Å; I577-V579 PolarHBondContact O-N 3.4Å; I577-D580 PolarHBondContact O-N 3.15Å; I577-D580 VanDerWaalsContact O-N 3.14Å; I577-M581 HydrophobicContact CB-CG 4.46Å; I577-M581 HydrophobicContact CD1-CG 4.28Å; I577-M581 HydrophobicContact CD1-SD 3.64Å; I577-M581 HydrophobicContact CG1-CG 4.24Å; I577-M581 HydrophobicContact CG1-SD 3.76Å; I577-M581 WeakPolarHBondContact O-CG 3.25Å; I577-M581 PolarHBondContact O-N 2.94Å |
| 578 | A | 88.8 | Confident | 88.2 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.1 | -44.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M574 M581 T582 I618 M622 I628 | M574-A578 PolarHBondContact O-N 2.97Å; A578-M581 PolarHBondContact O-N 2.88Å; A578-T582 WeakPolarHBondContact O-CB 3.12Å; A578-T582 PolarHBondContact O-N 2.94Å; A578-T582 PolarHBondContact O-OG1 3.49Å; A578-I618 HydrophobicContact CB-CG2 3.98Å; A578-M622 HydrophobicContact CB-CG 4.04Å; A578-M622 HydrophobicContact CB-SD 4.03Å; A578-I628 HydrophobicContact CB-CG2 4.13Å |
| 579 | V | 90.7 | Very high | 88.2 | Confident | 36 Ų | 36 | 38.8 Ų | 38.8 | 22% | 0.218 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.5 | -47.9 | 179.8 | -178.2 | 0 | 0 | 0 | 0 | 111.7 | I577 M581 T582 Q583 I628 Q631 L632 I635 | I577-V579 VanDerWaalsContact C-N 3.29Å; I577-V579 PolarHBondContact O-N 3.4Å; V579-M581 VanDerWaalsContact C-N 3.3Å; V579-M581 PolarHBondContact O-N 2.96Å; V579-T582 PolarHBondContact O-N 3.12Å; V579-Q583 WeakPolarHBondContact O-CB 2.92Å; V579-Q583 PolarHBondContact O-N 3.41Å; V579-I628 HydrophobicContact CG2-CG2 4.21Å; V579-Q631 HydrophobicContact CG1-CB 4.37Å; V579-Q631 HydrophobicContact CG2-CB 3.89Å; V579-L632 HydrophobicContact CG2-CD2 4.21Å; V579-I635 HydrophobicContact CG1-CD1 4.1Å |
| 580 | D | 88.6 | Confident | 88.1 | Confident | 109 Ų | 109 | 36.9 Ų | 36.9 | 58% | 0.583 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -63.9 | -37.3 | 177.7 | -69.7 | -20.6 | 0 | 0 | 0 | 111.3 | I577 N584 | I577-D580 PolarHBondContact O-N 3.15Å; I577-D580 VanDerWaalsContact O-N 3.14Å; D580-N584 PolarHBondContact O-N 3.36Å; D580-N584 VanDerWaalsContact O-N 3.08Å; D580-N584 PolarHBondContact O-ND2 2.82Å |
| 581 | M | 87.3 | Confident | 87.9 | Confident | 6 Ų | 6 | 42 Ų | 42 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.1 | -50.3 | 177.6 | -68.6 | -177 | 53.4 | 0 | 0 | 111.6 | M544 L548 I563 I567 M574 I577 A578 V579 Q583 N584 L585 I618 | M544-M581 HydrophobicContact CE-CE 3.34Å; M544-M581 HydrophobicContact CE-SD 4.2Å; L548-M581 HydrophobicContact CD1-CB 4.18Å; L548-M581 HydrophobicContact CD1-CG 3.83Å; I563-M581 HydrophobicContact CG2-CE 4.05Å; I567-M581 HydrophobicContact CD1-CE 3.93Å; I567-M581 HydrophobicContact CG1-CE 4.03Å; M574-M581 HydrophobicContact SD-SD 4.09Å; I577-M581 HydrophobicContact CB-CG 4.46Å; I577-M581 HydrophobicContact CD1-CG 4.28Å; I577-M581 HydrophobicContact CD1-SD 3.64Å; I577-M581 HydrophobicContact CG1-CG 4.24Å; I577-M581 HydrophobicContact CG1-SD 3.76Å; I577-M581 WeakPolarHBondContact O-CG 3.25Å; I577-M581 PolarHBondContact O-N 2.94Å; A578-M581 PolarHBondContact O-N 2.88Å; V579-M581 VanDerWaalsContact C-N 3.3Å; V579-M581 PolarHBondContact O-N 2.96Å; M581-Q583 VanDerWaalsContact C-N 3.26Å; M581-Q583 PolarHBondContact O-N 3.37Å; M581-N584 PolarHBondContact O-N 3.29Å; M581-N584 VanDerWaalsContact O-N 3.15Å; M581-L585 WeakPolarHBondContact O-CG 2.95Å; M581-L585 PolarHBondContact O-N 3.47Å; M581-I618 HydrophobicContact CB-CD1 4.24Å; M581-I618 HydrophobicContact CE-CD1 4.31Å |
| 582 | T | 91.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -37.4 | 178.7 | -58.3 | 0 | 0 | 0 | 0 | 111.3 | A578 V579 L585 A586 I615 L632 I635 | A578-T582 WeakPolarHBondContact O-CB 3.12Å; A578-T582 PolarHBondContact O-N 2.94Å; A578-T582 PolarHBondContact O-OG1 3.49Å; V579-T582 PolarHBondContact O-N 3.12Å; T582-L585 PolarHBondContact O-N 2.96Å; T582-A586 WeakPolarHBondContact O-CB 3.5Å; T582-A586 PolarHBondContact O-N 2.94Å; T582-I615 HydrophobicContact CG2-CG1 4.34Å; T582-I615 HydrophobicContact CG2-CG2 3.8Å; T582-L632 HydrophobicContact CG2-CD2 4.05Å; T582-L632 WeakPolarHBondContact OG1-CD2 3.33Å; T582-I635 HydrophobicContact CG2-CB 4.13Å; T582-I635 HydrophobicContact CG2-CD1 4.29Å; T582-I635 HydrophobicContact CG2-CG2 3.84Å |
| 583 | Q | 92.4 | Very high | 87.5 | Confident | 63 Ų | 63 | 32.2 Ų | 32.2 | 29% | 0.294 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -61.9 | -46.6 | 173.9 | -174.6 | 61.9 | 38.9 | 0 | 0 | 112 | V579 M581 L585 A586 E587 I635 | V579-Q583 WeakPolarHBondContact O-CB 2.92Å; V579-Q583 PolarHBondContact O-N 3.41Å; M581-Q583 VanDerWaalsContact C-N 3.26Å; M581-Q583 PolarHBondContact O-N 3.37Å; Q583-L585 PolarHBondContact O-N 3.18Å; Q583-A586 PolarHBondContact O-N 2.96Å; Q583-E587 WeakPolarHBondContact O-CG 3.5Å; Q583-E587 PolarHBondContact O-N 3.3Å; Q583-I635 HydrophobicContact CB-CD1 4.07Å |
| 584 | N | 89.8 | Confident | 87.1 | Confident | 66 Ų | 66 | 36 Ų | 36 | 35% | 0.353 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -62.5 | -43 | 177.1 | -76.9 | -59.4 | 0 | 0 | 0 | 111.7 | L548 D580 M581 E587 I588 | L548-N584 HydrophobicContact CD1-CB 4.41Å; D580-N584 PolarHBondContact O-N 3.36Å; D580-N584 VanDerWaalsContact O-N 3.08Å; D580-N584 PolarHBondContact O-ND2 2.82Å; M581-N584 PolarHBondContact O-N 3.29Å; M581-N584 VanDerWaalsContact O-N 3.15Å; N584-E587 PolarHBondContact O-N 2.91Å; N584-I588 VanDerWaalsContact O-CG1 3.26Å; N584-I588 WeakPolarHBondContact O-CG1 3.47Å; N584-I588 PolarHBondContact O-N 3.23Å |
| 585 | L | 90.1 | Very high | 86.6 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -62.2 | -44 | 177 | -71.8 | 172.4 | 0 | 0 | 0 | 111.6 | L548 M581 T582 Q583 E587 I588 F589 I611 T614 I615 I618 | L548-L585 HydrophobicContact CD2-CD2 3.77Å; L548-L585 HydrophobicContact CD2-CG 3.97Å; M581-L585 WeakPolarHBondContact O-CG 2.95Å; M581-L585 PolarHBondContact O-N 3.47Å; T582-L585 PolarHBondContact O-N 2.96Å; Q583-L585 PolarHBondContact O-N 3.18Å; L585-E587 VanDerWaalsContact C-N 3.31Å; L585-E587 PolarHBondContact O-N 3.43Å; L585-I588 PolarHBondContact O-N 3.04Å; L585-F589 WeakPolarHBondContact O-CB 3.37Å; L585-F589 PolarHBondContact O-N 3.49Å; L585-I611 HydrophobicContact CB-CG2 4.01Å; L585-I611 HydrophobicContact CD2-CG2 4.28Å; L585-I611 WeakPolarHBondContact O-CG2 3.15Å; L585-T614 HydrophobicContact CD1-CG2 3.65Å; L585-I615 HydrophobicContact CB-CD1 3.99Å; L585-I615 HydrophobicContact CB-CG1 3.83Å; L585-I615 HydrophobicContact CD1-CG1 4Å; L585-I618 HydrophobicContact CD1-CD1 3.73Å |
| 586 | A | 92 | Very high | 85.4 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.2 | -36.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | T582 Q583 T590 I635 V639 | T582-A586 WeakPolarHBondContact O-CB 3.5Å; T582-A586 PolarHBondContact O-N 2.94Å; Q583-A586 PolarHBondContact O-N 2.96Å; A586-T590 WeakPolarHBondContact O-CB 3.3Å; A586-T590 PolarHBondContact O-N 3.45Å; A586-T590 PolarHBondContact O-OG1 2.9Å; A586-I635 HydrophobicContact CB-CG2 3.57Å; A586-V639 HydrophobicContact CB-CG2 3.56Å |
| 587 | E | 90.5 | Very high | 84.1 | Confident | 87 Ų | 87 | 48.9 Ų | 48.9 | 41% | 0.407 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -67.1 | -41.1 | 173.8 | -75.4 | 179.9 | -162.3 | 0 | 0 | 112.6 | Q583 N584 L585 T590 R591 | Q583-E587 WeakPolarHBondContact O-CG 3.5Å; Q583-E587 PolarHBondContact O-N 3.3Å; N584-E587 PolarHBondContact O-N 2.91Å; L585-E587 VanDerWaalsContact C-N 3.31Å; L585-E587 PolarHBondContact O-N 3.43Å; E587-T590 PolarHBondContact O-N 3.21Å; E587-R591 WeakPolarHBondContact O-CB 3.38Å; E587-R591 PolarHBondContact O-N 3.13Å |
| 588 | I | 85.9 | Confident | 82.8 | Confident | 8 Ų | 8 | 48.9 Ų | 48.9 | 4% | 0.041 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -49 | 175.4 | -63.5 | 164.3 | 0 | 0 | 0 | 109.4 | V551 R552 N584 L585 T590 R591 V592 M607 I611 | V551-I588 HydrophobicContact CG1-CD1 4.35Å; R552-I588 HydrophobicContact CB-CD1 3.88Å; R552-I588 HydrophobicContact CB-CG1 4.1Å; R552-I588 HydrophobicContact CG-CD1 4.42Å; R552-I588 HydrophobicContact CG-CG1 4.1Å; N584-I588 VanDerWaalsContact O-CG1 3.26Å; N584-I588 WeakPolarHBondContact O-CG1 3.47Å; N584-I588 PolarHBondContact O-N 3.23Å; L585-I588 PolarHBondContact O-N 3.04Å; I588-T590 VanDerWaalsContact C-N 3.32Å; I588-T590 PolarHBondContact O-N 3.35Å; I588-R591 WeakPolarHBondContact O-CB 3.07Å; I588-R591 PolarHBondContact O-N 2.87Å; I588-R591 VanDerWaalsContact O-N 3.08Å; I588-V592 HydrophobicContact CG2-CG2 4.38Å; I588-V592 WeakPolarHBondContact O-CG2 3.39Å; I588-V592 PolarHBondContact O-N 2.81Å; I588-M607 HydrophobicContact CG2-CE 3.56Å; I588-I611 HydrophobicContact CB-CD1 4.22Å; I588-I611 HydrophobicContact CG2-CD1 3.53Å |
| 589 | F | 88.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.6 | -48 | 175.8 | -179.8 | -101.4 | 0 | 0 | 0 | 111.9 | L585 R591 V592 L593 A608 I611 L612 V639 L642 V643 F654 | L585-F589 WeakPolarHBondContact O-CB 3.37Å; L585-F589 PolarHBondContact O-N 3.49Å; F589-R591 VanDerWaalsContact C-N 3.28Å; F589-R591 PolarHBondContact O-N 3.02Å; F589-V592 PolarHBondContact O-N 3.32Å; F589-L593 HydrophobicContact CD1-CD1 4.02Å; F589-L593 HydrophobicContact CE1-CD1 3.32Å; F589-L593 HydrophobicContact CE1-CG 4.16Å; F589-L593 HydrophobicContact CE2-CD1 4.14Å; F589-L593 HydrophobicContact CE2-CG 4.35Å; F589-L593 HydrophobicContact CZ-CD1 3.4Å; F589-L593 HydrophobicContact CZ-CG 4.09Å; F589-L593 PolarHBondContact O-N 2.97Å; F589-A608 HydrophobicContact CD2-CB 4.01Å; F589-A608 HydrophobicContact CE2-CB 3.93Å; F589-I611 HydrophobicContact CB-CG2 3.97Å; F589-L612 HydrophobicContact CD2-CD2 4.01Å; F589-L612 HydrophobicContact CD2-CG 4.09Å; F589-L612 HydrophobicContact CE1-CD2 4.34Å; F589-L612 HydrophobicContact CE2-CD1 3.77Å; F589-L612 HydrophobicContact CE2-CD2 3.73Å; F589-L612 HydrophobicContact CE2-CG 3.66Å; F589-L612 HydrophobicContact CG-CD2 4.43Å; F589-L612 HydrophobicContact CZ-CD1 4.04Å; F589-L612 HydrophobicContact CZ-CD2 3.89Å; F589-L612 HydrophobicContact CZ-CG 4.19Å; F589-V639 HydrophobicContact CD1-CG1 3.81Å; F589-V639 HydrophobicContact CE1-CG1 3.69Å; F589-V639 HydrophobicContact CG-CG1 4.5Å; F589-V639 HydrophobicContact CZ-CG1 4.3Å; F589-L642 HydrophobicContact CD1-CD2 4.23Å; F589-L642 HydrophobicContact CE1-CD2 4.16Å; F589-V643 HydrophobicContact CE1-CG2 4Å; F589-V643 HydrophobicContact CZ-CG2 3.74Å; F589-F654 HydrophobicContact CE2-CD1 4.46Å; F589-F654 HydrophobicContact CE2-CE1 4.43Å |
| 590 | T | 88 | Confident | 79.5 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60 | -39 | 178.2 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | A586 E587 I588 Q594 L642 | A586-T590 WeakPolarHBondContact O-CB 3.3Å; A586-T590 PolarHBondContact O-N 3.45Å; A586-T590 PolarHBondContact O-OG1 2.9Å; E587-T590 PolarHBondContact O-N 3.21Å; I588-T590 VanDerWaalsContact C-N 3.32Å; I588-T590 PolarHBondContact O-N 3.35Å; T590-Q594 VanDerWaalsContact CG2-NE2 3.33Å; T590-Q594 WeakPolarHBondContact O-CB 3.16Å; T590-Q594 WeakPolarHBondContact O-CG 3.31Å; T590-Q594 PolarHBondContact O-N 2.86Å; T590-L642 HydrophobicContact CG2-CD2 4.14Å |
| 591 | R | 84.5 | Confident | 78.4 | Confident | 113 Ų | 113 | 60.1 Ų | 60.1 | 43% | 0.426 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.2 | -45.9 | 177.2 | 179 | -173.1 | -67 | -172.3 | -10.2 | 111.8 | E587 I588 F589 L593 Q594 S595 | E587-R591 WeakPolarHBondContact O-CB 3.38Å; E587-R591 PolarHBondContact O-N 3.13Å; I588-R591 WeakPolarHBondContact O-CB 3.07Å; I588-R591 PolarHBondContact O-N 2.87Å; I588-R591 VanDerWaalsContact O-N 3.08Å; F589-R591 VanDerWaalsContact C-N 3.28Å; F589-R591 PolarHBondContact O-N 3.02Å; R591-L593 VanDerWaalsContact C-N 3.31Å; R591-L593 PolarHBondContact O-N 2.87Å; R591-Q594 PolarHBondContact O-N 3.49Å; R591-Q594 VanDerWaalsContact O-N 3.08Å; R591-S595 PolarHBondContact O-N 3.44Å |
| 592 | V | 81.5 | Confident | 77.5 | Confident | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.6 | -47 | 179.3 | 173.6 | 0 | 0 | 0 | 0 | 109.9 | I588 F589 Q594 S595 K604 M607 A608 | I588-V592 HydrophobicContact CG2-CG2 4.38Å; I588-V592 WeakPolarHBondContact O-CG2 3.39Å; I588-V592 PolarHBondContact O-N 2.81Å; F589-V592 PolarHBondContact O-N 3.32Å; V592-Q594 VanDerWaalsContact C-N 3.26Å; V592-Q594 PolarHBondContact O-N 3.44Å; V592-S595 WeakPolarHBondContact O-CB 3.48Å; V592-S595 PolarHBondContact O-N 3.38Å; V592-S595 PolarHBondContact O-OG 2.85Å; V592-K604 HydrophobicContact CG1-CB 4.01Å; V592-M607 HydrophobicContact CG2-CE 3.94Å; V592-M607 HydrophobicContact CG2-SD 3.98Å; V592-A608 HydrophobicContact CG1-CB 4.2Å |
| 593 | L | 79.4 | Confident | 76.5 | Confident | 9 Ų | 9 | 71.2 Ų | 71.2 | 5% | 0.047 | 34% | 0.339 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -13.7 | 177.6 | -66.6 | -168.4 | 0 | 0 | 0 | 115.3 | F589 R591 Y598 L642 M651 F654 | F589-L593 HydrophobicContact CD1-CD1 4.02Å; F589-L593 HydrophobicContact CE1-CD1 3.32Å; F589-L593 HydrophobicContact CE1-CG 4.16Å; F589-L593 HydrophobicContact CE2-CD1 4.14Å; F589-L593 HydrophobicContact CE2-CG 4.35Å; F589-L593 HydrophobicContact CZ-CD1 3.4Å; F589-L593 HydrophobicContact CZ-CG 4.09Å; F589-L593 PolarHBondContact O-N 2.97Å; R591-L593 VanDerWaalsContact C-N 3.31Å; R591-L593 PolarHBondContact O-N 2.87Å; L593-Y598 HydrophobicContact CD2-CD2 4.13Å; L593-Y598 HydrophobicContact CD2-CE2 3.69Å; L593-L642 HydrophobicContact CD1-CD2 3.88Å; L593-L642 HydrophobicContact CD1-CG 4.27Å; L593-M651 HydrophobicContact CD1-CE 4.28Å; L593-M651 HydrophobicContact CD1-SD 4.34Å; L593-M651 HydrophobicContact CD2-CE 3.94Å; L593-M651 HydrophobicContact CD2-SD 4.45Å; L593-F654 HydrophobicContact CD2-CE2 3.76Å; L593-F654 HydrophobicContact CD2-CZ 3.89Å |
| 594 | Q | 78.4 | Confident | 75.7 | Confident | 126 Ų | 126 | 68.7 Ų | 68.7 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -3.6 | 175.7 | -74.7 | 177.3 | 8.8 | 0 | 0 | 112.7 | T590 R591 V592 | T590-Q594 VanDerWaalsContact CG2-NE2 3.33Å; T590-Q594 WeakPolarHBondContact O-CB 3.16Å; T590-Q594 WeakPolarHBondContact O-CG 3.31Å; T590-Q594 PolarHBondContact O-N 2.86Å; R591-Q594 PolarHBondContact O-N 3.49Å; R591-Q594 VanDerWaalsContact O-N 3.08Å; V592-Q594 VanDerWaalsContact C-N 3.26Å; V592-Q594 PolarHBondContact O-N 3.44Å |
| 595 | S | 74.1 | Confident | 75.3 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 24% | 0.238 | 32% | 0.315 | C | S | . | . | trans | -71.3 | 134.7 | 178.8 | 74.3 | 0 | 0 | 0 | 0 | 111.1 | R591 V592 E597 Y598 K604 | R591-S595 PolarHBondContact O-N 3.44Å; V592-S595 WeakPolarHBondContact O-CB 3.48Å; V592-S595 PolarHBondContact O-N 3.38Å; V592-S595 PolarHBondContact O-OG 2.85Å; S595-E597 PolarHBondContact O-N 2.96Å; S595-E597 VanDerWaalsContact O-N 3.13Å; S595-Y598 WeakPolarHBondContact O-CB 3.49Å; S595-Y598 PolarHBondContact O-N 3.24Å; S595-K604 PolarHBondContact OG-NZ 3.01Å | ||
| 596 | E | 59.2 | Low | 74.9 | Confident | 203 Ų | 203 | 69.5 Ų | 69.5 | 95% | 0.949 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -17.5 | -179.4 | -65.7 | -173.9 | 167.9 | 0 | 0 | 112.9 | ||
| 597 | E | 58.6 | Low | 74.5 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 58% | 0.575 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | 3.7 | -178.9 | -61.3 | 171.6 | 168.6 | 0 | 0 | 113.6 | S595 E599 E600 N601 K604 | S595-E597 PolarHBondContact O-N 2.96Å; S595-E597 VanDerWaalsContact O-N 3.13Å; E597-E599 PolarHBondContact O-N 3.42Å; E597-E600 PolarHBondContact O-N 3.27Å; E597-N601 WeakPolarHBondContact O-CB 3.36Å; E597-K604 IonicContact OE2-NZ 3.04Å; E597-K604 PolarHBondContact OE2-NZ 3.32Å |
| 598 | Y | 58.8 | Low | 74.3 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | G | 310 helix | trans | -62.4 | -41 | -176.3 | 175.3 | -95.7 | 0 | 0 | 0 | 112.7 | L593 S595 E600 N601 G650 M651 F654 | L593-Y598 HydrophobicContact CD2-CD2 4.13Å; L593-Y598 HydrophobicContact CD2-CE2 3.69Å; S595-Y598 WeakPolarHBondContact O-CB 3.49Å; S595-Y598 PolarHBondContact O-N 3.24Å; Y598-E600 PolarHBondContact O-N 3.27Å; Y598-E600 VanDerWaalsContact O-N 3.08Å; Y598-N601 PolarHBondContact O-N 3.34Å; Y598-G650 PolarHBondContact OH-O 3.42Å; Y598-M651 HydrophobicContact CE1-CE 4.06Å; Y598-F654 HydrophobicContact CE2-CE2 4.38Å; Y598-F654 HydrophobicContact CE2-CZ 4.08Å; Y598-F654 AromaticContact CZ-CE2 3.89Å; Y598-F654 AromaticContact CZ-CZ 3.98Å; Y598-F654 WeakPolarHBondContact OH-CE2 3.25Å; Y598-F654 WeakPolarHBondContact OH-CZ 3.46Å |
| 599 | E | 54.7 | Low | 74.4 | Confident | 150 Ų | 150 | 67.3 Ų | 67.3 | 70% | 0.701 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -67.4 | -11.2 | -175.6 | -67.6 | -173.4 | 175.9 | 0 | 0 | 114.1 | E597 | E597-E599 PolarHBondContact O-N 3.42Š|
| 600 | E | 54.7 | Low | 74.3 | Confident | 188 Ų | 188 | 67.7 Ų | 67.7 | 88% | 0.879 | 33% | 0.33 | S | S | * | . | G | 310 helix | trans | -120.3 | -0.2 | -175.6 | -62.8 | -171.8 | 168.7 | 0 | 0 | 114.1 | E597 Y598 | E597-E600 PolarHBondContact O-N 3.27Å; Y598-E600 PolarHBondContact O-N 3.27Å; Y598-E600 VanDerWaalsContact O-N 3.08Å |
| 601 | N | 66.2 | Low | 74.4 | Confident | 44 Ų | 44 | 66.6 Ų | 66.6 | 24% | 0.235 | 32% | 0.323 | C | S | . | . | trans | -126.8 | 100.5 | -171.3 | -166.5 | -15.7 | 0 | 0 | 0 | 113.9 | E597 Y598 D603 K604 | E597-N601 WeakPolarHBondContact O-CB 3.36Å; Y598-N601 PolarHBondContact O-N 3.34Å; N601-D603 VanDerWaalsContact C-N 3.27Å; N601-D603 PolarHBondContact O-N 2.9Å; N601-D603 WeakPolarHBondContact OD1-CB 3.3Å; N601-D603 PolarHBondContact OD1-N 2.67Å; N601-D603 VanDerWaalsContact OD1-N 3.13Å; N601-K604 HydrophobicContact CB-CD 4.39Å; N601-K604 HydrophobicContact CB-CG 4.3Å; N601-K604 PolarHBondContact O-N 3.49Å | ||
| 602 | E | 68.8 | Low | 74.7 | Confident | 162 Ų | 162 | 61.2 Ų | 61.2 | 76% | 0.757 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -57.8 | -33.3 | 177.9 | -68.5 | 178 | -179.5 | 0 | 0 | 113.1 | K604 T605 V606 | E602-K604 VanDerWaalsContact C-N 3.25Å; E602-K604 PolarHBondContact O-N 2.83Å; E602-T605 WeakPolarHBondContact O-CB 3.5Å; E602-T605 PolarHBondContact O-N 3.36Å; E602-T605 VanDerWaalsContact O-N 3.14Å; E602-V606 PolarHBondContact O-N 3.35Å |
| 603 | D | 70.1 | Confident | 75.2 | Confident | 77 Ų | 77 | 62.7 Ų | 62.7 | 41% | 0.412 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.2 | -32.1 | -178.9 | -65.6 | -22.2 | 0 | 0 | 0 | 111.8 | N601 V606 M607 | N601-D603 VanDerWaalsContact C-N 3.27Å; N601-D603 PolarHBondContact O-N 2.9Å; N601-D603 WeakPolarHBondContact OD1-CB 3.3Å; N601-D603 PolarHBondContact OD1-N 2.67Å; N601-D603 VanDerWaalsContact OD1-N 3.13Å; D603-V606 PolarHBondContact O-N 3.17Å; D603-M607 PolarHBondContact O-N 2.84Å; D603-M607 VanDerWaalsContact O-N 3.09Å |
| 604 | K | 76.8 | Confident | 75.6 | Confident | 11 Ų | 11 | 62.2 Ų | 62.2 | 5% | 0.048 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.3 | -32.7 | 177.6 | -69.5 | -171 | -175.2 | 178.8 | 0 | 112.1 | V592 S595 E597 N601 E602 A608 | V592-K604 HydrophobicContact CG1-CB 4.01Å; S595-K604 PolarHBondContact OG-NZ 3.01Å; E597-K604 IonicContact OE2-NZ 3.04Å; E597-K604 PolarHBondContact OE2-NZ 3.32Å; N601-K604 HydrophobicContact CB-CD 4.39Å; N601-K604 HydrophobicContact CB-CG 4.3Å; N601-K604 PolarHBondContact O-N 3.49Å; E602-K604 VanDerWaalsContact C-N 3.25Å; E602-K604 PolarHBondContact O-N 2.83Å; K604-A608 VanDerWaalsContact O-CB 3.31Å; K604-A608 WeakPolarHBondContact O-CB 3.26Å; K604-A608 PolarHBondContact O-N 2.94Å |
| 605 | T | 80.9 | Confident | 76.3 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 10% | 0.098 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 171.8 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | E602 M607 A608 L609 E653 F654 | E602-T605 WeakPolarHBondContact O-CB 3.5Å; E602-T605 PolarHBondContact O-N 3.36Å; E602-T605 VanDerWaalsContact O-N 3.14Å; T605-M607 VanDerWaalsContact C-N 3.34Å; T605-M607 PolarHBondContact O-N 2.88Å; T605-A608 WeakPolarHBondContact O-CB 3.45Å; T605-A608 PolarHBondContact O-N 2.98Å; T605-A608 VanDerWaalsContact O-N 3.08Å; T605-L609 HydrophobicContact CG2-CD1 4.09Å; T605-L609 HydrophobicContact CG2-CG 4.47Å; T605-L609 WeakPolarHBondContact O-CG 3.4Å; T605-L609 PolarHBondContact O-N 2.85Å; T605-E653 HydrophobicContact CG2-CB 4.21Å; T605-E653 WeakPolarHBondContact CG2-OE2 3.31Å; T605-F654 HydrophobicContact CG2-CE1 4.21Å; T605-F654 HydrophobicContact CG2-CZ 4.18Å |
| 606 | V | 82.3 | Confident | 77.1 | Confident | 67 Ų | 67 | 56 Ų | 56 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58 | -47.2 | -179.4 | 177.8 | 0 | 0 | 0 | 0 | 110.8 | D557 E602 D603 A608 L609 G610 | D557-V606 HydrophobicContact CB-CG1 4.19Å; E602-V606 PolarHBondContact O-N 3.35Å; D603-V606 PolarHBondContact O-N 3.17Å; V606-A608 VanDerWaalsContact C-N 3.35Å; V606-A608 PolarHBondContact O-N 2.56Å; V606-L609 WeakPolarHBondContact O-CB 3.34Å; V606-L609 PolarHBondContact O-N 3.32Å; V606-G610 PolarHBondContact O-N 2.73Å |
| 607 | M | 83.1 | Confident | 78.5 | Confident | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | 179.4 | -166.6 | 169.7 | 0 | 0 | 112.5 | V551 E555 I588 V592 D603 T605 L609 G610 I611 | V551-M607 HydrophobicContact CG1-CE 4.36Å; E555-M607 WeakPolarHBondContact CA-SD 3.11Å; E555-M607 HydrophobicContact CB-CE 4.01Å; E555-M607 HydrophobicContact CB-SD 3.39Å; E555-M607 WeakPolarHBondContact CB-SD 3.31Å; E555-M607 HydrophobicContact CG-CE 3.98Å; E555-M607 HydrophobicContact CG-SD 3.84Å; I588-M607 HydrophobicContact CG2-CE 3.56Å; V592-M607 HydrophobicContact CG2-CE 3.94Å; V592-M607 HydrophobicContact CG2-SD 3.98Å; D603-M607 PolarHBondContact O-N 2.84Å; D603-M607 VanDerWaalsContact O-N 3.09Å; T605-M607 VanDerWaalsContact C-N 3.34Å; T605-M607 PolarHBondContact O-N 2.88Å; M607-L609 VanDerWaalsContact C-N 3.31Å; M607-L609 PolarHBondContact O-N 3.13Å; M607-G610 PolarHBondContact O-N 3.28Å; M607-I611 HydrophobicContact CE-CD1 3.77Å; M607-I611 HydrophobicContact CG-CD1 4.12Å; M607-I611 VanDerWaalsContact O-CG1 3.32Å; M607-I611 WeakPolarHBondContact O-CG1 3.34Å; M607-I611 PolarHBondContact O-N 2.93Å |
| 608 | A | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.1 | -38.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F589 V592 K604 T605 V606 I611 L612 F654 | F589-A608 HydrophobicContact CD2-CB 4.01Å; F589-A608 HydrophobicContact CE2-CB 3.93Å; V592-A608 HydrophobicContact CG1-CB 4.2Å; K604-A608 VanDerWaalsContact O-CB 3.31Å; K604-A608 WeakPolarHBondContact O-CB 3.26Å; K604-A608 PolarHBondContact O-N 2.94Å; T605-A608 WeakPolarHBondContact O-CB 3.45Å; T605-A608 PolarHBondContact O-N 2.98Å; T605-A608 VanDerWaalsContact O-N 3.08Å; V606-A608 VanDerWaalsContact C-N 3.35Å; V606-A608 PolarHBondContact O-N 2.56Å; A608-I611 PolarHBondContact O-N 2.74Å; A608-L612 WeakPolarHBondContact O-CG 3.4Å; A608-L612 PolarHBondContact O-N 3.4Å; A608-L612 VanDerWaalsContact O-N 3.11Å; A608-F654 HydrophobicContact CB-CE1 3.55Å; A608-F654 HydrophobicContact CB-CZ 3.81Å |
| 609 | L | 87.2 | Confident | 81.5 | Confident | 47 Ų | 47 | 41.2 Ų | 41.2 | 25% | 0.246 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.1 | -48 | 172.1 | -69.5 | 168.1 | 0 | 0 | 0 | 111.6 | T605 V606 M607 I611 L612 S613 E653 F654 E657 | T605-L609 HydrophobicContact CG2-CD1 4.09Å; T605-L609 HydrophobicContact CG2-CG 4.47Å; T605-L609 WeakPolarHBondContact O-CG 3.4Å; T605-L609 PolarHBondContact O-N 2.85Å; V606-L609 WeakPolarHBondContact O-CB 3.34Å; V606-L609 PolarHBondContact O-N 3.32Å; M607-L609 VanDerWaalsContact C-N 3.31Å; M607-L609 PolarHBondContact O-N 3.13Å; L609-I611 PolarHBondContact O-N 2.86Å; L609-L612 PolarHBondContact O-N 3.43Å; L609-S613 WeakPolarHBondContact O-CB 3.28Å; L609-S613 PolarHBondContact O-N 3.07Å; L609-E653 WeakPolarHBondContact CD2-O 3.47Å; L609-F654 HydrophobicContact CD2-CD1 3.58Å; L609-F654 HydrophobicContact CD2-CE1 4.05Å; L609-F654 HydrophobicContact CG-CD1 4.05Å; L609-F654 HydrophobicContact CG-CE1 4Å; L609-E657 HydrophobicContact CD2-CG 3.76Å |
| 610 | G | 86.4 | Confident | 83.1 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 9% | 0.093 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.2 | -34.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D557 V606 M607 T614 | D557-G610 WeakPolarHBondContact OD1-CA 3.42Å; V606-G610 PolarHBondContact O-N 2.73Å; M607-G610 PolarHBondContact O-N 3.28Å; G610-T614 WeakPolarHBondContact O-CB 3.25Å; G610-T614 PolarHBondContact O-N 3.1Å; G610-T614 PolarHBondContact O-OG1 3.29Å |
| 611 | I | 89.9 | Confident | 84.6 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.1 | -47 | 172.8 | -68.8 | 163.8 | 0 | 0 | 0 | 111.5 | T560 L585 I588 F589 M607 A608 L609 T614 I615 | T560-I611 HydrophobicContact CG2-CG1 4.29Å; L585-I611 HydrophobicContact CB-CG2 4.01Å; L585-I611 HydrophobicContact CD2-CG2 4.28Å; L585-I611 WeakPolarHBondContact O-CG2 3.15Å; I588-I611 HydrophobicContact CB-CD1 4.22Å; I588-I611 HydrophobicContact CG2-CD1 3.53Å; F589-I611 HydrophobicContact CB-CG2 3.97Å; M607-I611 HydrophobicContact CE-CD1 3.77Å; M607-I611 HydrophobicContact CG-CD1 4.12Å; M607-I611 VanDerWaalsContact O-CG1 3.32Å; M607-I611 WeakPolarHBondContact O-CG1 3.34Å; M607-I611 PolarHBondContact O-N 2.93Å; A608-I611 PolarHBondContact O-N 2.74Å; L609-I611 PolarHBondContact O-N 2.86Å; I611-T614 WeakPolarHBondContact O-CB 3.35Å; I611-T614 PolarHBondContact O-N 3.47Å; I611-I615 HydrophobicContact CG2-CD1 4.17Å; I611-I615 WeakPolarHBondContact O-CG1 3.29Å; I611-I615 PolarHBondContact O-N 2.69Å |
| 612 | L | 91.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.8 | -47.5 | 178 | -66.7 | 177.7 | 0 | 0 | 0 | 111.2 | F589 A608 L609 T614 I615 D616 V639 F654 E657 I658 L661 | F589-L612 HydrophobicContact CD2-CD2 4.01Å; F589-L612 HydrophobicContact CD2-CG 4.09Å; F589-L612 HydrophobicContact CE1-CD2 4.34Å; F589-L612 HydrophobicContact CE2-CD1 3.77Å; F589-L612 HydrophobicContact CE2-CD2 3.73Å; F589-L612 HydrophobicContact CE2-CG 3.66Å; F589-L612 HydrophobicContact CG-CD2 4.43Å; F589-L612 HydrophobicContact CZ-CD1 4.04Å; F589-L612 HydrophobicContact CZ-CD2 3.89Å; F589-L612 HydrophobicContact CZ-CG 4.19Å; A608-L612 WeakPolarHBondContact O-CG 3.4Å; A608-L612 PolarHBondContact O-N 3.4Å; A608-L612 VanDerWaalsContact O-N 3.11Å; L609-L612 PolarHBondContact O-N 3.43Å; L612-T614 PolarHBondContact O-N 3.31Å; L612-I615 WeakPolarHBondContact O-CA 3.29Å; L612-I615 WeakPolarHBondContact O-CB 3.48Å; L612-I615 PolarHBondContact O-N 3.31Å; L612-D616 PolarHBondContact O-N 2.61Å; L612-V639 HydrophobicContact CD2-CG1 3.28Å; L612-F654 HydrophobicContact CD1-CB 4.14Å; L612-F654 HydrophobicContact CD1-CD1 3.85Å; L612-F654 HydrophobicContact CD1-CG 4.32Å; L612-E657 HydrophobicContact CB-CB 3.83Å; L612-E657 HydrophobicContact CB-CG 4.25Å; L612-E657 HydrophobicContact CD1-CB 3.67Å; L612-E657 HydrophobicContact CD1-CG 4.44Å; L612-E657 HydrophobicContact CG-CB 4.4Å; L612-I658 HydrophobicContact CD1-CG2 4.29Å; L612-L661 HydrophobicContact CD2-CD1 4.01Å |
| 613 | S | 91 | Very high | 86.3 | Confident | 32 Ų | 32 | 24.5 Ų | 24.5 | 22% | 0.224 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.7 | -35.2 | 175.2 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | Q564 L609 D616 T617 | Q564-S613 PolarHBondContact NE2-O 3.33Å; Q564-S613 PolarHBondContact NE2-OG 3.36Å; L609-S613 WeakPolarHBondContact O-CB 3.28Å; L609-S613 PolarHBondContact O-N 3.07Å; S613-D616 PolarHBondContact O-N 3.29Å; S613-T617 PolarHBondContact O-N 2.97Å; S613-T617 PolarHBondContact O-OG1 3.07Å |
| 614 | T | 89.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 174.4 | -57 | 0 | 0 | 0 | 0 | 112.2 | I563 Q564 I567 L585 G610 I611 L612 D616 T617 I618 | I563-T614 HydrophobicContact CB-CG2 4.25Å; I563-T614 HydrophobicContact CG2-CG2 3.56Å; Q564-T614 HydrophobicContact CG-CG2 4.04Å; Q564-T614 VanDerWaalsContact NE2-N 3.17Å; Q564-T614 PolarHBondContact NE2-OG1 2.75Å; I567-T614 HydrophobicContact CD1-CG2 4.32Å; L585-T614 HydrophobicContact CD1-CG2 3.65Å; G610-T614 WeakPolarHBondContact O-CB 3.25Å; G610-T614 PolarHBondContact O-N 3.1Å; G610-T614 PolarHBondContact O-OG1 3.29Å; I611-T614 WeakPolarHBondContact O-CB 3.35Å; I611-T614 PolarHBondContact O-N 3.47Å; L612-T614 PolarHBondContact O-N 3.31Å; T614-D616 VanDerWaalsContact C-N 3.29Å; T614-T617 PolarHBondContact O-N 3.44Å; T614-I618 WeakPolarHBondContact O-CG1 3.49Å; T614-I618 PolarHBondContact O-N 3.43Å |
| 615 | I | 92.9 | Very high | 87.3 | Confident | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -40.6 | 174 | -65.9 | 170.4 | 0 | 0 | 0 | 110 | T582 L585 I611 L612 I618 L619 V639 L661 | T582-I615 HydrophobicContact CG2-CG1 4.34Å; T582-I615 HydrophobicContact CG2-CG2 3.8Å; L585-I615 HydrophobicContact CB-CD1 3.99Å; L585-I615 HydrophobicContact CB-CG1 3.83Å; L585-I615 HydrophobicContact CD1-CG1 4Å; I611-I615 HydrophobicContact CG2-CD1 4.17Å; I611-I615 WeakPolarHBondContact O-CG1 3.29Å; I611-I615 PolarHBondContact O-N 2.69Å; L612-I615 WeakPolarHBondContact O-CA 3.29Å; L612-I615 WeakPolarHBondContact O-CB 3.48Å; L612-I615 PolarHBondContact O-N 3.31Å; I615-I618 WeakPolarHBondContact O-CB 3.48Å; I615-I618 PolarHBondContact O-N 2.84Å; I615-L619 PolarHBondContact O-N 2.99Å; I615-V639 HydrophobicContact CD1-CG2 4.47Å; I615-L661 HydrophobicContact CB-CD2 4.23Å; I615-L661 HydrophobicContact CG2-CD2 3.76Å |
| 616 | D | 90.5 | Very high | 87.4 | Confident | 27 Ų | 27 | 37.1 Ų | 37.1 | 14% | 0.144 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.3 | -41.3 | 177.6 | -168.8 | 58.9 | 0 | 0 | 0 | 112.1 | L612 S613 T614 I618 L619 T620 S660 L661 | L612-D616 PolarHBondContact O-N 2.61Å; S613-D616 PolarHBondContact O-N 3.29Å; T614-D616 VanDerWaalsContact C-N 3.29Å; D616-I618 PolarHBondContact O-N 2.91Å; D616-L619 WeakPolarHBondContact O-CB 3.45Å; D616-L619 PolarHBondContact O-N 2.86Å; D616-L619 VanDerWaalsContact O-N 3.17Å; D616-T620 WeakPolarHBondContact O-CB 3.32Å; D616-T620 PolarHBondContact O-N 3Å; D616-T620 PolarHBondContact O-OG1 3.46Å; D616-S660 PolarHBondContact OD2-OG 3.04Å; D616-L661 HydrophobicContact CB-CD2 3.64Å; D616-L661 HydrophobicContact CB-CG 4.4Å |
| 617 | T | 89.4 | Confident | 87.6 | Confident | 25 Ų | 25 | 41.4 Ų | 41.4 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.6 | -43.7 | 172.6 | -58.7 | 0 | 0 | 0 | 0 | 111.4 | Q564 S613 T614 L619 T620 V621 | Q564-T617 HydrophobicContact CB-CG2 4.23Å; Q564-T617 HydrophobicContact CG-CG2 4.36Å; S613-T617 PolarHBondContact O-N 2.97Å; S613-T617 PolarHBondContact O-OG1 3.07Å; T614-T617 PolarHBondContact O-N 3.44Å; T617-L619 VanDerWaalsContact C-N 3.31Å; T617-L619 PolarHBondContact O-N 3.05Å; T617-T620 PolarHBondContact O-N 3.27Å; T617-V621 HydrophobicContact CG2-CG2 4.31Å; T617-V621 WeakPolarHBondContact O-CB 3.5Å; T617-V621 VanDerWaalsContact O-CG2 3.26Å; T617-V621 WeakPolarHBondContact O-CG2 3.22Å; T617-V621 PolarHBondContact O-N 2.97Å |
| 618 | I | 89.8 | Confident | 87.8 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 175.1 | -65.8 | 167.7 | 0 | 0 | 0 | 110 | I567 A578 M581 L585 T614 I615 D616 T620 V621 M622 L632 | I567-I618 HydrophobicContact CD1-CD1 4.03Å; I567-I618 HydrophobicContact CD1-CG1 3.46Å; I567-I618 VanDerWaalsContact CD1-CG1 3.46Å; I567-I618 HydrophobicContact CG1-CG1 4.44Å; A578-I618 HydrophobicContact CB-CG2 3.98Å; M581-I618 HydrophobicContact CB-CD1 4.24Å; M581-I618 HydrophobicContact CE-CD1 4.31Å; L585-I618 HydrophobicContact CD1-CD1 3.73Å; T614-I618 WeakPolarHBondContact O-CG1 3.49Å; T614-I618 PolarHBondContact O-N 3.43Å; I615-I618 WeakPolarHBondContact O-CB 3.48Å; I615-I618 PolarHBondContact O-N 2.84Å; D616-I618 PolarHBondContact O-N 2.91Å; I618-T620 PolarHBondContact O-N 3.06Å; I618-V621 PolarHBondContact O-N 2.89Å; I618-M622 HydrophobicContact CG2-CG 4.16Å; I618-M622 VanDerWaalsContact O-CB 3.26Å; I618-M622 WeakPolarHBondContact O-CB 3.5Å; I618-M622 WeakPolarHBondContact O-CG 3.38Å; I618-M622 PolarHBondContact O-N 2.73Å; I618-L632 HydrophobicContact CG2-CD1 4.05Å |
| 619 | L | 89.9 | Confident | 87.8 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61 | -46 | -179.2 | -178.1 | 62.7 | 0 | 0 | 0 | 111.5 | I615 D616 T617 M622 E623 T629 L632 L665 | I615-L619 PolarHBondContact O-N 2.99Å; D616-L619 WeakPolarHBondContact O-CB 3.45Å; D616-L619 PolarHBondContact O-N 2.86Å; D616-L619 VanDerWaalsContact O-N 3.17Å; T617-L619 VanDerWaalsContact C-N 3.31Å; T617-L619 PolarHBondContact O-N 3.05Å; L619-M622 CarbonylContact O-C 3.57Å; L619-M622 PolarHBondContact O-N 3.4Å; L619-E623 PolarHBondContact O-N 2.93Å; L619-T629 HydrophobicContact CD1-CG2 3.96Å; L619-L632 HydrophobicContact CD1-CD1 4.44Å; L619-L665 HydrophobicContact CD1-CD2 3.72Å; L619-L665 HydrophobicContact CD2-CD2 3.97Å; L619-L665 HydrophobicContact CD2-CG 3.87Å |
| 620 | T | 88 | Confident | 87.8 | Confident | 79 Ų | 79 | 48.7 Ų | 48.7 | 49% | 0.485 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.6 | -45 | 178.6 | -59.3 | 0 | 0 | 0 | 0 | 112 | D616 T617 I618 M622 E623 | D616-T620 WeakPolarHBondContact O-CB 3.32Å; D616-T620 PolarHBondContact O-N 3Å; D616-T620 PolarHBondContact O-OG1 3.46Å; T617-T620 PolarHBondContact O-N 3.27Å; I618-T620 PolarHBondContact O-N 3.06Å; T620-M622 PolarHBondContact O-N 3.42Å; T620-E623 WeakPolarHBondContact O-CB 3.33Å; T620-E623 PolarHBondContact O-N 3.02Å |
| 621 | V | 86.9 | Confident | 87.9 | Confident | 38 Ų | 38 | 53.7 Ų | 53.7 | 23% | 0.23 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -68.4 | -26.9 | 178.8 | 177.8 | 0 | 0 | 0 | 0 | 111.6 | I567 N571 T617 I618 | I567-V621 HydrophobicContact CG2-CB 4.16Å; I567-V621 HydrophobicContact CG2-CG1 4.18Å; I567-V621 HydrophobicContact CG2-CG2 4.16Å; N571-V621 HydrophobicContact CB-CG1 3.74Å; T617-V621 HydrophobicContact CG2-CG2 4.31Å; T617-V621 WeakPolarHBondContact O-CB 3.5Å; T617-V621 VanDerWaalsContact O-CG2 3.26Å; T617-V621 WeakPolarHBondContact O-CG2 3.22Å; T617-V621 PolarHBondContact O-N 2.97Å; I618-V621 PolarHBondContact O-N 2.89Å |
| 622 | M | 87.6 | Confident | 88 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 6.1 | 179.2 | -64 | -65 | 101.2 | 0 | 0 | 114.1 | A575 A578 I618 L619 T620 D624 H625 I628 T629 L632 | A575-M622 VanDerWaalsContact CA-SD 3.55Å; A575-M622 HydrophobicContact CB-CE 4.2Å; A575-M622 HydrophobicContact CB-SD 3.79Å; A578-M622 HydrophobicContact CB-CG 4.04Å; A578-M622 HydrophobicContact CB-SD 4.03Å; I618-M622 HydrophobicContact CG2-CG 4.16Å; I618-M622 VanDerWaalsContact O-CB 3.26Å; I618-M622 WeakPolarHBondContact O-CB 3.5Å; I618-M622 WeakPolarHBondContact O-CG 3.38Å; I618-M622 PolarHBondContact O-N 2.73Å; L619-M622 CarbonylContact O-C 3.57Å; L619-M622 PolarHBondContact O-N 3.4Å; T620-M622 PolarHBondContact O-N 3.42Å; M622-D624 PolarHBondContact O-N 3.5Å; M622-D624 VanDerWaalsContact O-N 3.14Å; M622-H625 WeakPolarHBondContact O-CB 3.25Å; M622-H625 PolarHBondContact O-N 3.22Å; M622-I628 HydrophobicContact CB-CG2 4.33Å; M622-I628 HydrophobicContact CG-CG2 4.23Å; M622-I628 HydrophobicContact SD-CD1 4.24Å; M622-I628 HydrophobicContact SD-CG2 4.34Å; M622-T629 PolarHBondContact O-OG1 3.09Å; M622-L632 HydrophobicContact CB-CD1 4.21Å; M622-L632 HydrophobicContact CG-CD1 4.34Å |
| 623 | E | 83.3 | Confident | 88 | Confident | 75 Ų | 75 | 54.9 Ų | 54.9 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -35.5 | -172.5 | -151.4 | -155.1 | 137.2 | 0 | 0 | 113.3 | L619 T620 H625 Q668 | L619-E623 PolarHBondContact O-N 2.93Å; T620-E623 WeakPolarHBondContact O-CB 3.33Å; T620-E623 PolarHBondContact O-N 3.02Å; E623-H625 VanDerWaalsContact C-N 3.25Å; E623-H625 PolarHBondContact O-N 3.08Å; E623-Q668 PolarHBondContact O-NE2 3.04Å; E623-Q668 PolarHBondContact OE1-NE2 3.34Å |
| 624 | D | 82.4 | Confident | 88.1 | Confident | 144 Ų | 144 | 55.2 Ų | 55.2 | 77% | 0.77 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -13 | 177.8 | -72.5 | -37.9 | 0 | 0 | 0 | 113.8 | M622 | M622-D624 PolarHBondContact O-N 3.5Å; M622-D624 VanDerWaalsContact O-N 3.14Å |
| 625 | H | 84.5 | Confident | 88.3 | Confident | 83 Ų | 83 | 55.7 Ų | 55.7 | 38% | 0.384 | 29% | 0.286 | S | S | . | . | trans | -102.4 | 73.3 | -174.8 | -67.5 | -75 | 0 | 0 | 0 | 112.9 | M622 E623 E627 I628 T629 | M622-H625 WeakPolarHBondContact O-CB 3.25Å; M622-H625 PolarHBondContact O-N 3.22Å; E623-H625 VanDerWaalsContact C-N 3.25Å; E623-H625 PolarHBondContact O-N 3.08Å; H625-E627 VanDerWaalsContact C-N 3.3Å; H625-E627 PolarHBondContact O-N 2.85Å; H625-I628 HydrophobicContact CB-CB 4.04Å; H625-I628 HydrophobicContact CB-CD1 3.85Å; H625-I628 HydrophobicContact CB-CG1 4.14Å; H625-I628 WeakPolarHBondContact O-CA 3.43Å; H625-I628 WeakPolarHBondContact O-CB 3.44Å; H625-I628 PolarHBondContact O-N 2.97Å; H625-T629 PolarHBondContact O-N 3.16Å; H625-T629 PolarHBondContact O-OG1 3.32Å; H625-T629 VanDerWaalsContact O-OG1 3.13Å | ||
| 626 | K | 83.6 | Confident | 88.3 | Confident | 143 Ų | 143 | 55.7 Ų | 55.7 | 62% | 0.622 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -45.2 | -42.8 | -175.4 | -64.1 | -171.7 | 176.2 | -170.2 | 0 | 116.4 | I628 Q630 | K626-I628 VanDerWaalsContact C-N 3.31Å; K626-I628 PolarHBondContact O-N 3.25Å; K626-Q630 PolarHBondContact O-N 3.19Å; K626-Q630 VanDerWaalsContact O-N 3.13Å |
| 627 | E | 85.8 | Confident | 88.4 | Confident | 157 Ų | 157 | 56 Ų | 56 | 73% | 0.734 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -67.2 | -31.5 | 179.5 | -67.5 | -177.4 | 179.3 | 0 | 0 | 113 | H625 Q631 | H625-E627 VanDerWaalsContact C-N 3.3Å; H625-E627 PolarHBondContact O-N 2.85Å; E627-Q631 PolarHBondContact O-NE2 3.37Å |
| 628 | I | 87.3 | Confident | 88.4 | Confident | 26 Ų | 26 | 59.4 Ų | 59.4 | 13% | 0.133 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -78.4 | -48.2 | 177.5 | -62.2 | 176.2 | 0 | 0 | 0 | 108.9 | A575 A578 V579 M622 H625 K626 Q630 Q631 L632 | A575-I628 HydrophobicContact CB-CD1 3.8Å; A575-I628 VanDerWaalsContact O-CD1 3.28Å; A575-I628 WeakPolarHBondContact O-CD1 3.4Å; A578-I628 HydrophobicContact CB-CG2 4.13Å; V579-I628 HydrophobicContact CG2-CG2 4.21Å; M622-I628 HydrophobicContact CB-CG2 4.33Å; M622-I628 HydrophobicContact CG-CG2 4.23Å; M622-I628 HydrophobicContact SD-CD1 4.24Å; M622-I628 HydrophobicContact SD-CG2 4.34Å; H625-I628 HydrophobicContact CB-CB 4.04Å; H625-I628 HydrophobicContact CB-CD1 3.85Å; H625-I628 HydrophobicContact CB-CG1 4.14Å; H625-I628 WeakPolarHBondContact O-CA 3.43Å; H625-I628 WeakPolarHBondContact O-CB 3.44Å; H625-I628 PolarHBondContact O-N 2.97Å; K626-I628 VanDerWaalsContact C-N 3.31Å; K626-I628 PolarHBondContact O-N 3.25Å; I628-Q630 PolarHBondContact O-N 3.18Å; I628-Q631 WeakPolarHBondContact O-CA 3.38Å; I628-Q631 WeakPolarHBondContact O-CB 3.35Å; I628-Q631 PolarHBondContact O-N 2.98Å; I628-L632 HydrophobicContact CG2-CD1 3.97Å; I628-L632 HydrophobicContact CG2-CG 4.07Å; I628-L632 WeakPolarHBondContact O-CG 3.37Å; I628-L632 PolarHBondContact O-N 3.34Å |
| 629 | T | 86.2 | Confident | 88.5 | Confident | 27 Ų | 27 | 59.2 Ų | 59.2 | 17% | 0.166 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.5 | -40.8 | 178 | -43.2 | 0 | 0 | 0 | 0 | 111.8 | L619 M622 H625 Q631 L632 E633 | L619-T629 HydrophobicContact CD1-CG2 3.96Å; M622-T629 PolarHBondContact O-OG1 3.09Å; H625-T629 PolarHBondContact O-N 3.16Å; H625-T629 PolarHBondContact O-OG1 3.32Å; H625-T629 VanDerWaalsContact O-OG1 3.13Å; T629-Q631 VanDerWaalsContact C-N 3.32Å; T629-Q631 PolarHBondContact O-N 3.48Å; T629-L632 PolarHBondContact O-N 3.18Å; T629-E633 PolarHBondContact O-N 3Å |
| 630 | Q | 86.8 | Confident | 88.5 | Confident | 148 Ų | 148 | 59.2 Ų | 59.2 | 69% | 0.692 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.2 | -33.2 | 176.1 | -171.3 | 175.6 | 20.1 | 0 | 0 | 113.4 | K626 I628 | K626-Q630 PolarHBondContact O-N 3.19Å; K626-Q630 VanDerWaalsContact O-N 3.13Å; I628-Q630 PolarHBondContact O-N 3.18Å |
| 631 | Q | 89.9 | Confident | 88.5 | Confident | 114 Ų | 114 | 56.2 Ų | 56.2 | 53% | 0.533 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -76.2 | -37.5 | 175.3 | -68.7 | 175.3 | 48.8 | 0 | 0 | 111.5 | V579 E627 I628 T629 E633 | V579-Q631 HydrophobicContact CG1-CB 4.37Å; V579-Q631 HydrophobicContact CG2-CB 3.89Å; E627-Q631 PolarHBondContact O-NE2 3.37Å; I628-Q631 WeakPolarHBondContact O-CA 3.38Å; I628-Q631 WeakPolarHBondContact O-CB 3.35Å; I628-Q631 PolarHBondContact O-N 2.98Å; T629-Q631 VanDerWaalsContact C-N 3.32Å; T629-Q631 PolarHBondContact O-N 3.48Å; Q631-E633 VanDerWaalsContact C-N 3.33Å |
| 632 | L | 91.6 | Very high | 88.5 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 176.1 | -63.6 | -178 | 0 | 0 | 0 | 112 | V579 T582 I618 L619 M622 I628 T629 G634 I635 C636 | V579-L632 HydrophobicContact CG2-CD2 4.21Å; T582-L632 HydrophobicContact CG2-CD2 4.05Å; T582-L632 WeakPolarHBondContact OG1-CD2 3.33Å; I618-L632 HydrophobicContact CG2-CD1 4.05Å; L619-L632 HydrophobicContact CD1-CD1 4.44Å; M622-L632 HydrophobicContact CB-CD1 4.21Å; M622-L632 HydrophobicContact CG-CD1 4.34Å; I628-L632 HydrophobicContact CG2-CD1 3.97Å; I628-L632 HydrophobicContact CG2-CG 4.07Å; I628-L632 WeakPolarHBondContact O-CG 3.37Å; I628-L632 PolarHBondContact O-N 3.34Å; T629-L632 PolarHBondContact O-N 3.18Å; L632-G634 VanDerWaalsContact C-N 3.27Å; L632-G634 PolarHBondContact O-N 3.49Å; L632-I635 PolarHBondContact O-N 3.06Å; L632-C636 PolarHBondContact O-N 3.07Å; L632-C636 PolarHBondContact O-SG 3Å |
| 633 | E | 92.4 | Very high | 88.4 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 12% | 0.117 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -49.7 | -46.5 | 178.3 | -172.7 | -172.5 | 130.1 | 0 | 0 | 112.2 | T629 Q631 I635 C636 L637 L665 S671 | T629-E633 PolarHBondContact O-N 3Å; Q631-E633 VanDerWaalsContact C-N 3.33Å; E633-I635 VanDerWaalsContact C-N 3.29Å; E633-I635 PolarHBondContact O-N 3.47Å; E633-C636 PolarHBondContact O-N 3.33Å; E633-L637 HydrophobicContact CG-CD1 3.98Å; E633-L637 HydrophobicContact CG-CG 4.41Å; E633-L637 WeakPolarHBondContact O-CB 3.44Å; E633-L637 VanDerWaalsContact O-CG 3.31Å; E633-L637 WeakPolarHBondContact O-CG 3.35Å; E633-L637 PolarHBondContact O-N 3.18Å; E633-L665 HydrophobicContact CB-CD2 3.9Å; E633-L665 HydrophobicContact CG-CD1 4.28Å; E633-L665 HydrophobicContact CG-CD2 4.1Å; E633-S671 WeakPolarHBondContact OE1-CB 3.4Å; E633-S671 PolarHBondContact OE1-OG 3.41Å; E633-S671 WeakPolarHBondContact OE2-CB 3.43Å |
| 634 | G | 91.2 | Very high | 88.3 | Confident | 38 Ų | 38 | 53.3 Ų | 53.3 | 39% | 0.392 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.4 | L632 Q638 | L632-G634 VanDerWaalsContact C-N 3.27Å; L632-G634 PolarHBondContact O-N 3.49Å; G634-Q638 PolarHBondContact O-N 2.79Å |
| 635 | I | 93.7 | Very high | 87.9 | Confident | 11 Ų | 11 | 53.7 Ų | 53.7 | 6% | 0.056 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -76.3 | -46.3 | 179.3 | -52.2 | 172.4 | 0 | 0 | 0 | 110 | V579 T582 Q583 A586 L632 E633 L637 Q638 V639 | V579-I635 HydrophobicContact CG1-CD1 4.1Å; T582-I635 HydrophobicContact CG2-CB 4.13Å; T582-I635 HydrophobicContact CG2-CD1 4.29Å; T582-I635 HydrophobicContact CG2-CG2 3.84Å; Q583-I635 HydrophobicContact CB-CD1 4.07Å; A586-I635 HydrophobicContact CB-CG2 3.57Å; L632-I635 PolarHBondContact O-N 3.06Å; E633-I635 VanDerWaalsContact C-N 3.29Å; E633-I635 PolarHBondContact O-N 3.47Å; I635-L637 VanDerWaalsContact C-N 3.32Å; I635-L637 PolarHBondContact O-N 2.76Å; I635-Q638 WeakPolarHBondContact O-CB 3.35Å; I635-Q638 PolarHBondContact O-N 3.04Å; I635-Q638 VanDerWaalsContact O-N 3.13Å; I635-V639 PolarHBondContact O-N 3.34Å |
| 636 | C | 93.6 | Very high | 87 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.007 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -40.8 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 111.5 | L632 E633 Q638 V639 I640 L665 | L632-C636 PolarHBondContact O-N 3.07Å; L632-C636 PolarHBondContact O-SG 3Å; E633-C636 PolarHBondContact O-N 3.33Å; C636-Q638 VanDerWaalsContact C-N 3.3Å; C636-Q638 PolarHBondContact O-N 3.24Å; C636-V639 WeakPolarHBondContact O-CB 3.35Å; C636-V639 PolarHBondContact O-N 3.39Å; C636-V639 VanDerWaalsContact O-N 3.12Å; C636-I640 VanDerWaalsContact O-CG1 3.26Å; C636-I640 WeakPolarHBondContact O-CG1 3.23Å; C636-I640 PolarHBondContact O-N 3.41Å; C636-L665 HydrophobicContact CB-CD1 3.76Å |
| 637 | L | 91.5 | Very high | 85.6 | Confident | 33 Ų | 33 | 51.9 Ų | 51.9 | 17% | 0.173 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.9 | -33.8 | 175.3 | -78.9 | 174.2 | 0 | 0 | 0 | 113.2 | E633 I635 G641 Q673 M674 L677 | E633-L637 HydrophobicContact CG-CD1 3.98Å; E633-L637 HydrophobicContact CG-CG 4.41Å; E633-L637 WeakPolarHBondContact O-CB 3.44Å; E633-L637 VanDerWaalsContact O-CG 3.31Å; E633-L637 WeakPolarHBondContact O-CG 3.35Å; E633-L637 PolarHBondContact O-N 3.18Å; I635-L637 VanDerWaalsContact C-N 3.32Å; I635-L637 PolarHBondContact O-N 2.76Å; L637-G641 PolarHBondContact O-N 3.03Å; L637-Q673 HydrophobicContact CD1-CB 3.64Å; L637-M674 HydrophobicContact CD1-SD 4.39Å; L637-M674 HydrophobicContact CD2-SD 3.69Å; L637-M674 HydrophobicContact CG-SD 4.21Å; L637-L677 HydrophobicContact CD2-CD2 4.37Å |
| 638 | Q | 90.8 | Very high | 84 | Confident | 96 Ų | 96 | 47.1 Ų | 47.1 | 45% | 0.449 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 172.6 | 175.3 | -176.1 | -27.1 | 0 | 0 | 111 | G634 I635 C636 L642 | G634-Q638 PolarHBondContact O-N 2.79Å; I635-Q638 WeakPolarHBondContact O-CB 3.35Å; I635-Q638 PolarHBondContact O-N 3.04Å; I635-Q638 VanDerWaalsContact O-N 3.13Å; C636-Q638 VanDerWaalsContact C-N 3.3Å; C636-Q638 PolarHBondContact O-N 3.24Å; Q638-L642 PolarHBondContact O-N 3.42Å |
| 639 | V | 90.9 | Very high | 82.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.5 | -49.7 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 111 | A586 F589 L612 I615 I635 C636 G641 L642 V643 | A586-V639 HydrophobicContact CB-CG2 3.56Å; F589-V639 HydrophobicContact CD1-CG1 3.81Å; F589-V639 HydrophobicContact CE1-CG1 3.69Å; F589-V639 HydrophobicContact CG-CG1 4.5Å; F589-V639 HydrophobicContact CZ-CG1 4.3Å; L612-V639 HydrophobicContact CD2-CG1 3.28Å; I615-V639 HydrophobicContact CD1-CG2 4.47Å; I635-V639 PolarHBondContact O-N 3.34Å; C636-V639 WeakPolarHBondContact O-CB 3.35Å; C636-V639 PolarHBondContact O-N 3.39Å; C636-V639 VanDerWaalsContact O-N 3.12Å; V639-G641 VanDerWaalsContact C-N 3.31Å; V639-G641 PolarHBondContact O-N 3.12Å; V639-L642 WeakPolarHBondContact O-CB 3.45Å; V639-L642 PolarHBondContact O-N 2.83Å; V639-L642 VanDerWaalsContact O-N 3.16Å; V639-V643 PolarHBondContact O-N 3.04Å |
| 640 | I | 90.9 | Very high | 80.9 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.8 | -47.1 | 175.4 | -66.1 | 162.8 | 0 | 0 | 0 | 110 | C636 L642 V643 L644 I658 L661 A662 L665 L677 | C636-I640 VanDerWaalsContact O-CG1 3.26Å; C636-I640 WeakPolarHBondContact O-CG1 3.23Å; C636-I640 PolarHBondContact O-N 3.41Å; I640-L642 VanDerWaalsContact C-N 3.3Å; I640-L642 PolarHBondContact O-N 3.23Å; I640-V643 PolarHBondContact O-N 3.22Å; I640-L644 HydrophobicContact CG2-CD1 3.62Å; I640-L644 HydrophobicContact CG2-CG 4.25Å; I640-L644 WeakPolarHBondContact O-CG 3.34Å; I640-L644 PolarHBondContact O-N 3.17Å; I640-I658 HydrophobicContact CG1-CB 4.13Å; I640-L661 HydrophobicContact CD1-CB 4.26Å; I640-A662 HydrophobicContact CD1-CB 4.14Å; I640-L665 HydrophobicContact CD1-CD1 4.37Å; I640-L677 HydrophobicContact CG2-CD1 3.86Å; I640-L677 HydrophobicContact CG2-CD2 4.35Å |
| 641 | G | 87.8 | Confident | 80 | Confident | 17 Ų | 17 | 46.9 Ų | 46.9 | 18% | 0.175 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.6 | -35.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L637 V639 L644 Q645 | L637-G641 PolarHBondContact O-N 3.03Å; V639-G641 VanDerWaalsContact C-N 3.31Å; V639-G641 PolarHBondContact O-N 3.12Å; G641-L644 PolarHBondContact O-N 3.27Å; G641-Q645 WeakPolarHBondContact O-CB 3.42Å; G641-Q645 WeakPolarHBondContact O-CG 3.45Å; G641-Q645 PolarHBondContact O-N 3.05Å |
| 642 | L | 86.4 | Confident | 79 | Confident | 31 Ų | 31 | 43.3 Ų | 43.3 | 16% | 0.162 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -40.1 | 178 | -176.2 | 65.3 | 0 | 0 | 0 | 112.2 | F589 T590 L593 Q638 V639 I640 K646 | F589-L642 HydrophobicContact CD1-CD2 4.23Å; F589-L642 HydrophobicContact CE1-CD2 4.16Å; T590-L642 HydrophobicContact CG2-CD2 4.14Å; L593-L642 HydrophobicContact CD1-CD2 3.88Å; L593-L642 HydrophobicContact CD1-CG 4.27Å; Q638-L642 PolarHBondContact O-N 3.42Å; V639-L642 WeakPolarHBondContact O-CB 3.45Å; V639-L642 PolarHBondContact O-N 2.83Å; V639-L642 VanDerWaalsContact O-N 3.16Å; I640-L642 VanDerWaalsContact C-N 3.3Å; I640-L642 PolarHBondContact O-N 3.23Å; L642-K646 HydrophobicContact CD1-CD 4.31Å |
| 643 | V | 85.3 | Confident | 78.3 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -71.3 | -45.9 | 177.4 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | F589 V639 I640 M651 F654 Y655 I658 | F589-V643 HydrophobicContact CE1-CG2 4Å; F589-V643 HydrophobicContact CZ-CG2 3.74Å; V639-V643 PolarHBondContact O-N 3.04Å; I640-V643 PolarHBondContact O-N 3.22Å; V643-M651 HydrophobicContact CG1-CB 4.37Å; V643-F654 HydrophobicContact CG1-CB 3.97Å; V643-F654 HydrophobicContact CG2-CB 4.33Å; V643-Y655 HydrophobicContact CG1-CD1 4.15Å; V643-Y655 HydrophobicContact CG1-CE1 4.09Å; V643-I658 HydrophobicContact CB-CD1 4.16Å; V643-I658 HydrophobicContact CB-CG2 4.15Å; V643-I658 HydrophobicContact CG1-CD1 3.89Å; V643-I658 HydrophobicContact CG1-CG2 4.36Å; V643-I658 HydrophobicContact CG2-CG2 3.89Å |
| 644 | L | 81.8 | Confident | 77.9 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 11% | 0.105 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -73.4 | -26.6 | -176.5 | -64.9 | 177.5 | 0 | 0 | 0 | 114.5 | I640 G641 Y655 I658 L677 I680 L681 V684 | I640-L644 HydrophobicContact CG2-CD1 3.62Å; I640-L644 HydrophobicContact CG2-CG 4.25Å; I640-L644 WeakPolarHBondContact O-CG 3.34Å; I640-L644 PolarHBondContact O-N 3.17Å; G641-L644 PolarHBondContact O-N 3.27Å; L644-Y655 HydrophobicContact CD2-CE1 4.22Å; L644-I658 HydrophobicContact CD1-CD1 4.47Å; L644-I658 HydrophobicContact CD2-CD1 3.59Å; L644-I658 HydrophobicContact CG-CD1 3.83Å; L644-L677 HydrophobicContact CD1-CD1 3.72Å; L644-I680 HydrophobicContact CB-CG2 4.38Å; L644-I680 HydrophobicContact CD1-CG2 4.07Å; L644-L681 HydrophobicContact CD1-CD2 4.15Å; L644-L681 HydrophobicContact CD2-CD2 4.49Å; L644-V684 HydrophobicContact CB-CG2 4.46Å; L644-V684 HydrophobicContact CD2-CB 4.47Å; L644-V684 HydrophobicContact CD2-CG1 4.26Å; L644-V684 HydrophobicContact CD2-CG2 4.16Å |
| 645 | Q | 73.9 | Confident | 77.7 | Confident | 152 Ų | 152 | 46.1 Ų | 46.1 | 71% | 0.71 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -88 | -16.2 | -175.5 | -72.5 | 176.1 | 9.5 | 0 | 0 | 114.7 | G641 P647 | G641-Q645 WeakPolarHBondContact O-CB 3.42Å; G641-Q645 WeakPolarHBondContact O-CG 3.45Å; G641-Q645 PolarHBondContact O-N 3.05Å; Q645-P647 WeakPolarHBondContact O-CD 3.26Å |
| 646 | K | 65.6 | Low | 77.4 | Confident | 66 Ų | 66 | 50.9 Ų | 50.9 | 29% | 0.287 | 27% | 0.274 | S | S | . | . | trans | -101.2 | 110.1 | -177 | -81.1 | -174.5 | 169.3 | -169.1 | 0 | 110.2 | L642 I648 | L642-K646 HydrophobicContact CD1-CD 4.31Å; K646-I648 HydrophobicContact CB-CD1 4.2Å; K646-I648 HydrophobicContact CB-CG1 4.16Å; K646-I648 HydrophobicContact CD-CD1 3.86Å; K646-I648 HydrophobicContact CG-CD1 4.42Å; K646-I648 PolarHBondContact O-N 3.22Å | ||
| 647 | P | 53.8 | Low | 77.3 | Confident | 122 Ų | 122 | 53 Ų | 53 | 79% | 0.792 | 28% | 0.284 | S | S | * | . | trans | -79 | 57 | 174.1 | 34.3 | -34.8 | 0 | 0 | 0 | 110.4 | Q645 | Q645-P647 WeakPolarHBondContact O-CD 3.26Š| ||
| 648 | I | 53.2 | Low | 77.2 | Confident | 58 Ų | 58 | 51.6 Ų | 51.6 | 30% | 0.297 | 28% | 0.276 | S | S | . | . | trans | -94.6 | 133.5 | 176.4 | -60.2 | 175.8 | 0 | 0 | 0 | 108.2 | K646 G650 M651 | K646-I648 HydrophobicContact CB-CD1 4.2Å; K646-I648 HydrophobicContact CB-CG1 4.16Å; K646-I648 HydrophobicContact CD-CD1 3.86Å; K646-I648 HydrophobicContact CG-CD1 4.42Å; K646-I648 PolarHBondContact O-N 3.22Å; I648-G650 PolarHBondContact O-N 3.39Å; I648-M651 HydrophobicContact CB-CG 4.43Å; I648-M651 PolarHBondContact O-N 3.36Å | ||
| 649 | I | 51.5 | Low | 77.3 | Confident | 161 Ų | 161 | 47.3 Ų | 47.3 | 83% | 0.826 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 116.3 | 172.6 | -63.5 | 162.1 | 0 | 0 | 0 | 107.4 | ||
| 650 | G | 56.1 | Low | 77.3 | Confident | 32 Ų | 32 | 49.2 Ų | 49.2 | 33% | 0.33 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 115.3 | 3.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y598 I648 | Y598-G650 PolarHBondContact OH-O 3.42Å; I648-G650 PolarHBondContact O-N 3.39Å |
| 651 | M | 67.6 | Low | 77.4 | Confident | 3 Ų | 3 | 49.1 Ų | 49.1 | 2% | 0.015 | 27% | 0.269 | C | S | . | . | trans | -85.5 | -8.7 | 174.9 | -68.2 | -71.1 | 156 | 0 | 0 | 114.3 | L593 Y598 V643 I648 E653 F654 | L593-M651 HydrophobicContact CD1-CE 4.28Å; L593-M651 HydrophobicContact CD1-SD 4.34Å; L593-M651 HydrophobicContact CD2-CE 3.94Å; L593-M651 HydrophobicContact CD2-SD 4.45Å; Y598-M651 HydrophobicContact CE1-CE 4.06Å; V643-M651 HydrophobicContact CG1-CB 4.37Å; I648-M651 HydrophobicContact CB-CG 4.43Å; I648-M651 PolarHBondContact O-N 3.36Å; M651-E653 PolarHBondContact O-N 3.14Å; M651-F654 PolarHBondContact O-N 3.2Å; M651-F654 HydrophobicContact SD-CD2 3.74Å; M651-F654 HydrophobicContact SD-CE2 3.81Å | ||
| 652 | A | 69.2 | Low | 77.6 | Confident | 38 Ų | 38 | 48.4 Ų | 48.4 | 31% | 0.314 | 26% | 0.261 | S | S | . | . | G | 310 helix | trans | -61.1 | -30.7 | -180 | 0 | 0 | 0 | 0 | 0 | 112.4 | F654 Y655 Y692 | A652-F654 PolarHBondContact O-N 2.8Å; A652-Y655 HydrophobicContact CB-CD2 4.21Å; A652-Y655 HydrophobicContact CB-CE2 4.14Å; A652-Y655 PolarHBondContact O-N 3.38Å; A652-Y692 HydrophobicContact CB-CE2 4.25Å; A652-Y692 PolarHBondContact O-OH 2.9Å; A652-Y692 VanDerWaalsContact O-OH 3.07Å |
| 653 | E | 76.6 | Confident | 77.9 | Confident | 108 Ų | 108 | 50.4 Ų | 50.4 | 51% | 0.505 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -63.6 | -21.1 | 179.8 | -63.1 | 175 | 169.4 | 0 | 0 | 112.8 | T605 L609 M651 | T605-E653 HydrophobicContact CG2-CB 4.21Å; T605-E653 WeakPolarHBondContact CG2-OE2 3.31Å; L609-E653 WeakPolarHBondContact CD2-O 3.47Å; M651-E653 PolarHBondContact O-N 3.14Å |
| 654 | F | 85.2 | Confident | 78 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -95 | -6 | 179.3 | -56 | -62.7 | 0 | 0 | 0 | 114.3 | F589 L593 Y598 T605 A608 L609 L612 V643 M651 A652 E656 E657 I658 | F589-F654 HydrophobicContact CE2-CD1 4.46Å; F589-F654 HydrophobicContact CE2-CE1 4.43Å; L593-F654 HydrophobicContact CD2-CE2 3.76Å; L593-F654 HydrophobicContact CD2-CZ 3.89Å; Y598-F654 HydrophobicContact CE2-CE2 4.38Å; Y598-F654 HydrophobicContact CE2-CZ 4.08Å; Y598-F654 AromaticContact CZ-CE2 3.89Å; Y598-F654 AromaticContact CZ-CZ 3.98Å; Y598-F654 WeakPolarHBondContact OH-CE2 3.25Å; Y598-F654 WeakPolarHBondContact OH-CZ 3.46Å; T605-F654 HydrophobicContact CG2-CE1 4.21Å; T605-F654 HydrophobicContact CG2-CZ 4.18Å; A608-F654 HydrophobicContact CB-CE1 3.55Å; A608-F654 HydrophobicContact CB-CZ 3.81Å; L609-F654 HydrophobicContact CD2-CD1 3.58Å; L609-F654 HydrophobicContact CD2-CE1 4.05Å; L609-F654 HydrophobicContact CG-CD1 4.05Å; L609-F654 HydrophobicContact CG-CE1 4Å; L612-F654 HydrophobicContact CD1-CB 4.14Å; L612-F654 HydrophobicContact CD1-CD1 3.85Å; L612-F654 HydrophobicContact CD1-CG 4.32Å; V643-F654 HydrophobicContact CG1-CB 3.97Å; V643-F654 HydrophobicContact CG2-CB 4.33Å; M651-F654 PolarHBondContact O-N 3.2Å; M651-F654 HydrophobicContact SD-CD2 3.74Å; M651-F654 HydrophobicContact SD-CE2 3.81Å; A652-F654 PolarHBondContact O-N 2.8Å; F654-E656 PolarHBondContact O-N 3.03Å; F654-E657 PolarHBondContact O-N 3.14Å; F654-I658 WeakPolarHBondContact O-CG1 3.33Å; F654-I658 PolarHBondContact O-N 3.16Å |
| 655 | Y | 86.9 | Confident | 78.4 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 6% | 0.063 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -41.8 | -172.1 | -72.4 | -26.7 | 0 | 0 | 0 | 112.8 | V643 L644 A652 E657 I658 L659 C689 Y692 | V643-Y655 HydrophobicContact CG1-CD1 4.15Å; V643-Y655 HydrophobicContact CG1-CE1 4.09Å; L644-Y655 HydrophobicContact CD2-CE1 4.22Å; A652-Y655 HydrophobicContact CB-CD2 4.21Å; A652-Y655 HydrophobicContact CB-CE2 4.14Å; A652-Y655 PolarHBondContact O-N 3.38Å; Y655-E657 PolarHBondContact O-N 3.45Å; Y655-I658 HydrophobicContact CD1-CD1 3.89Å; Y655-I658 HydrophobicContact CD1-CG1 4.47Å; Y655-I658 VanDerWaalsContact O-CG1 3.27Å; Y655-I658 WeakPolarHBondContact O-CG1 3.41Å; Y655-I658 PolarHBondContact O-N 2.64Å; Y655-L659 VanDerWaalsContact O-CB 3.31Å; Y655-L659 WeakPolarHBondContact O-CB 3.42Å; Y655-L659 WeakPolarHBondContact O-CD1 3.39Å; Y655-L659 WeakPolarHBondContact O-CG 3.46Å; Y655-L659 PolarHBondContact O-N 3.4Å; Y655-C689 WeakPolarHBondContact CD2-SG 3.38Å; Y655-C689 HydrophobicContact CE2-CB 4.46Å; Y655-C689 WeakPolarHBondContact CE2-SG 3.3Å; Y655-Y692 AromaticContact CD2-CD2 3.71Å; Y655-Y692 HydrophobicContact CD2-CD2 3.71Å; Y655-Y692 AromaticContact CD2-CE2 3.67Å; Y655-Y692 HydrophobicContact CD2-CE2 3.67Å; Y655-Y692 HydrophobicContact CD2-CG 4.25Å; Y655-Y692 HydrophobicContact CE2-CE2 4.42Å |
| 656 | E | 87.8 | Confident | 79.2 | Confident | 111 Ų | 111 | 43.3 Ų | 43.3 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -57.1 | -50.2 | 176.3 | -64.9 | 176.1 | -160.3 | 0 | 0 | 111.3 | F654 L659 S660 Y692 D695 | F654-E656 PolarHBondContact O-N 3.03Å; E656-L659 PolarHBondContact O-N 3.07Å; E656-S660 PolarHBondContact O-N 3.26Å; E656-Y692 HydrophobicContact CG-CD1 4.13Å; E656-Y692 HydrophobicContact CG-CE1 4.13Å; E656-D695 HydrophobicContact CG-CB 4.46Å |
| 657 | E | 89.8 | Confident | 80.2 | Confident | 46 Ų | 46 | 42.1 Ų | 42.1 | 22% | 0.215 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -41.6 | -178.1 | -71.8 | -68.1 | -178.9 | 0 | 0 | 113.1 | L609 L612 F654 Y655 L659 S660 L661 | L609-E657 HydrophobicContact CD2-CG 3.76Å; L612-E657 HydrophobicContact CB-CB 3.83Å; L612-E657 HydrophobicContact CB-CG 4.25Å; L612-E657 HydrophobicContact CD1-CB 3.67Å; L612-E657 HydrophobicContact CD1-CG 4.44Å; L612-E657 HydrophobicContact CG-CB 4.4Å; F654-E657 PolarHBondContact O-N 3.14Å; Y655-E657 PolarHBondContact O-N 3.45Å; E657-L659 VanDerWaalsContact C-N 3.3Å; E657-L659 PolarHBondContact O-N 2.76Å; E657-S660 PolarHBondContact O-N 3.11Å; E657-L661 WeakPolarHBondContact O-CG 3.26Å; E657-L661 PolarHBondContact O-N 2.98Å |
| 658 | I | 91.2 | Very high | 81.7 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.015 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -69.6 | -29.7 | 177.3 | 65.7 | 164.2 | 0 | 0 | 0 | 112.4 | L612 I640 V643 L644 F654 Y655 A662 | L612-I658 HydrophobicContact CD1-CG2 4.29Å; I640-I658 HydrophobicContact CG1-CB 4.13Å; V643-I658 HydrophobicContact CB-CD1 4.16Å; V643-I658 HydrophobicContact CB-CG2 4.15Å; V643-I658 HydrophobicContact CG1-CD1 3.89Å; V643-I658 HydrophobicContact CG1-CG2 4.36Å; V643-I658 HydrophobicContact CG2-CG2 3.89Å; L644-I658 HydrophobicContact CD1-CD1 4.47Å; L644-I658 HydrophobicContact CD2-CD1 3.59Å; L644-I658 HydrophobicContact CG-CD1 3.83Å; F654-I658 WeakPolarHBondContact O-CG1 3.33Å; F654-I658 PolarHBondContact O-N 3.16Å; Y655-I658 HydrophobicContact CD1-CD1 3.89Å; Y655-I658 HydrophobicContact CD1-CG1 4.47Å; Y655-I658 VanDerWaalsContact O-CG1 3.27Å; Y655-I658 WeakPolarHBondContact O-CG1 3.41Å; Y655-I658 PolarHBondContact O-N 2.64Å; I658-A662 WeakPolarHBondContact O-CB 3.45Å; I658-A662 PolarHBondContact O-N 3.2Å |
| 659 | L | 91.9 | Very high | 83.3 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 3% | 0.026 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -72.5 | -38 | 175.4 | -71.3 | 170.5 | 0 | 0 | 0 | 110.4 | Y655 E656 E657 A662 F663 L681 D695 M696 L699 | Y655-L659 VanDerWaalsContact O-CB 3.31Å; Y655-L659 WeakPolarHBondContact O-CB 3.42Å; Y655-L659 WeakPolarHBondContact O-CD1 3.39Å; Y655-L659 WeakPolarHBondContact O-CG 3.46Å; Y655-L659 PolarHBondContact O-N 3.4Å; E656-L659 PolarHBondContact O-N 3.07Å; E657-L659 VanDerWaalsContact C-N 3.3Å; E657-L659 PolarHBondContact O-N 2.76Å; L659-A662 PolarHBondContact O-N 3.2Å; L659-F663 WeakPolarHBondContact O-CB 3.34Å; L659-F663 PolarHBondContact O-N 2.7Å; L659-L681 HydrophobicContact CD2-CD2 3.94Å; L659-D695 HydrophobicContact CD1-CB 3.84Å; L659-M696 HydrophobicContact CD1-CB 4.46Å; L659-M696 HydrophobicContact CD1-CE 4.29Å; L659-M696 HydrophobicContact CD1-CG 3.53Å; L659-M696 HydrophobicContact CD2-CE 4.33Å; L659-M696 HydrophobicContact CD2-CG 3.75Å; L659-M696 HydrophobicContact CG-CG 4.3Å; L659-L699 HydrophobicContact CD2-CD2 4.1Å |
| 660 | S | 91 | Very high | 85.2 | Confident | 41 Ų | 41 | 34.7 Ų | 34.7 | 29% | 0.287 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -59.5 | -48.1 | 170.2 | -167.2 | 0 | 0 | 0 | 0 | 111.7 | D616 E656 E657 A662 F663 G664 | D616-S660 PolarHBondContact OD2-OG 3.04Å; E656-S660 PolarHBondContact O-N 3.26Å; E657-S660 PolarHBondContact O-N 3.11Å; S660-A662 VanDerWaalsContact C-N 3.33Å; S660-A662 PolarHBondContact O-N 3.19Å; S660-F663 WeakPolarHBondContact O-CA 3.17Å; S660-F663 WeakPolarHBondContact O-CB 3.43Å; S660-F663 PolarHBondContact O-N 3.4Å; S660-F663 VanDerWaalsContact O-N 3.08Å; S660-G664 PolarHBondContact O-N 2.91Å |
| 661 | L | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -58.1 | -44.8 | 175.5 | -73.2 | 174.7 | 0 | 0 | 0 | 112.2 | L612 I615 D616 I640 E657 F663 G664 L665 | L612-L661 HydrophobicContact CD2-CD1 4.01Å; I615-L661 HydrophobicContact CB-CD2 4.23Å; I615-L661 HydrophobicContact CG2-CD2 3.76Å; D616-L661 HydrophobicContact CB-CD2 3.64Å; D616-L661 HydrophobicContact CB-CG 4.4Å; I640-L661 HydrophobicContact CD1-CB 4.26Å; E657-L661 WeakPolarHBondContact O-CG 3.26Å; E657-L661 PolarHBondContact O-N 2.98Å; L661-F663 VanDerWaalsContact C-N 3.32Å; L661-G664 PolarHBondContact O-N 3.37Å; L661-L665 WeakPolarHBondContact O-CG 3.47Å; L661-L665 PolarHBondContact O-N 3.05Å; L661-L665 VanDerWaalsContact O-N 3.16Å |
| 662 | A | 92.6 | Very high | 88 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.7 | -36.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | I640 I658 L659 S660 L665 T666 M674 L677 L699 | I640-A662 HydrophobicContact CD1-CB 4.14Å; I658-A662 WeakPolarHBondContact O-CB 3.45Å; I658-A662 PolarHBondContact O-N 3.2Å; L659-A662 PolarHBondContact O-N 3.2Å; S660-A662 VanDerWaalsContact C-N 3.33Å; S660-A662 PolarHBondContact O-N 3.19Å; A662-L665 PolarHBondContact O-N 3.41Å; A662-T666 WeakPolarHBondContact O-CG2 3.4Å; A662-T666 PolarHBondContact O-N 3.23Å; A662-T666 PolarHBondContact O-OG1 3.24Å; A662-M674 HydrophobicContact CB-CE 4.08Å; A662-L677 HydrophobicContact CB-CD2 3.91Å; A662-L699 HydrophobicContact CB-CD1 4.09Å; A662-L699 HydrophobicContact CB-CD2 3.61Å; A662-L699 HydrophobicContact CB-CG 4.46Å; A662-L699 WeakPolarHBondContact O-CD1 3.38Å |
| 663 | F | 91.9 | Very high | 89 | Confident | 73 Ų | 73 | 42 Ų | 42 | 32% | 0.32 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.7 | -51.9 | 173 | 166.6 | -99.9 | 0 | 0 | 0 | 110.7 | L659 S660 L661 L665 T666 C667 P698 L699 N702 | L659-F663 WeakPolarHBondContact O-CB 3.34Å; L659-F663 PolarHBondContact O-N 2.7Å; S660-F663 WeakPolarHBondContact O-CA 3.17Å; S660-F663 WeakPolarHBondContact O-CB 3.43Å; S660-F663 PolarHBondContact O-N 3.4Å; S660-F663 VanDerWaalsContact O-N 3.08Å; L661-F663 VanDerWaalsContact C-N 3.32Å; F663-L665 PolarHBondContact O-N 2.94Å; F663-L665 VanDerWaalsContact O-N 3.17Å; F663-T666 PolarHBondContact O-N 3.01Å; F663-T666 PolarHBondContact O-OG1 3.07Å; F663-C667 PolarHBondContact O-N 3.03Å; F663-C667 PolarHBondContact O-SG 3.01Å; F663-P698 HydrophobicContact CD2-CB 3.51Å; F663-P698 HydrophobicContact CE2-CB 3.8Å; F663-P698 HydrophobicContact CG-CB 4.12Å; F663-L699 HydrophobicContact CB-CB 4.49Å; F663-N702 WeakPolarHBondContact CD2-ND2 3.3Å; F663-N702 WeakPolarHBondContact CE2-ND2 3.46Å; F663-N702 PolarHBondContact O-ND2 3.26Å |
| 664 | G | 88.6 | Confident | 89.8 | Confident | 14 Ų | 14 | 36.9 Ų | 36.9 | 14% | 0.144 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.3 | -34.9 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S660 L661 T666 | S660-G664 PolarHBondContact O-N 2.91Å; L661-G664 PolarHBondContact O-N 3.37Å; G664-T666 VanDerWaalsContact C-N 3.28Å; G664-T666 PolarHBondContact O-N 3.2Å |
| 665 | L | 90.6 | Very high | 90.1 | Very high | 10 Ų | 10 | 37.9 Ų | 37.9 | 5% | 0.052 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -72.8 | -16.4 | 176.3 | -69 | 173 | 0 | 0 | 0 | 114.2 | L619 E633 C636 I640 L661 A662 F663 M674 | L619-L665 HydrophobicContact CD1-CD2 3.72Å; L619-L665 HydrophobicContact CD2-CD2 3.97Å; L619-L665 HydrophobicContact CD2-CG 3.87Å; E633-L665 HydrophobicContact CB-CD2 3.9Å; E633-L665 HydrophobicContact CG-CD1 4.28Å; E633-L665 HydrophobicContact CG-CD2 4.1Å; C636-L665 HydrophobicContact CB-CD1 3.76Å; I640-L665 HydrophobicContact CD1-CD1 4.37Å; L661-L665 WeakPolarHBondContact O-CG 3.47Å; L661-L665 PolarHBondContact O-N 3.05Å; L661-L665 VanDerWaalsContact O-N 3.16Å; A662-L665 PolarHBondContact O-N 3.41Å; F663-L665 PolarHBondContact O-N 2.94Å; F663-L665 VanDerWaalsContact O-N 3.17Å; L665-M674 HydrophobicContact CB-CE 3.87Å; L665-M674 HydrophobicContact CB-SD 4.15Å; L665-M674 HydrophobicContact CD1-CE 4.17Å; L665-M674 HydrophobicContact CD1-SD 3.93Å |
| 666 | T | 90.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -106.9 | -5.7 | -175.9 | 53.6 | 0 | 0 | 0 | 0 | 114.2 | A662 F663 G664 Q668 I670 M674 L699 N702 | A662-T666 WeakPolarHBondContact O-CG2 3.4Å; A662-T666 PolarHBondContact O-N 3.23Å; A662-T666 PolarHBondContact O-OG1 3.24Å; F663-T666 PolarHBondContact O-N 3.01Å; F663-T666 PolarHBondContact O-OG1 3.07Å; G664-T666 VanDerWaalsContact C-N 3.28Å; G664-T666 PolarHBondContact O-N 3.2Å; T666-Q668 PolarHBondContact O-N 3.14Å; T666-I670 HydrophobicContact CG2-CG1 4.33Å; T666-I670 HydrophobicContact CG2-CG2 4.47Å; T666-M674 HydrophobicContact CG2-CB 4.3Å; T666-M674 HydrophobicContact CG2-CE 3.71Å; T666-M674 HydrophobicContact CG2-CG 4.39Å; T666-L699 HydrophobicContact CG2-CD1 3.74Å; T666-L699 WeakPolarHBondContact OG1-CD1 3.29Å; T666-N702 WeakPolarHBondContact OG1-CB 3.24Å; T666-N702 PolarHBondContact OG1-ND2 3.25Å |
| 667 | C | 86.3 | Confident | 90.5 | Very high | 41 Ų | 41 | 38.8 Ų | 38.8 | 28% | 0.277 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -59.5 | -38 | -175.2 | -69 | 0 | 0 | 0 | 0 | 114.8 | F663 | F663-C667 PolarHBondContact O-N 3.03Å; F663-C667 PolarHBondContact O-SG 3.01Å |
| 668 | Q | 85.1 | Confident | 90.7 | Very high | 70 Ų | 70 | 36.7 Ų | 36.7 | 33% | 0.327 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -105 | -46.2 | -175.9 | -65.5 | -170.8 | 13.6 | 0 | 0 | 114.2 | E623 T666 V706 | E623-Q668 PolarHBondContact O-NE2 3.04Å; E623-Q668 PolarHBondContact OE1-NE2 3.34Å; T666-Q668 PolarHBondContact O-N 3.14Å; Q668-V706 WeakPolarHBondContact O-CG1 3.46Å |
| 669 | T | 87.1 | Confident | 90.6 | Very high | 99 Ų | 99 | 38.2 Ų | 38.2 | 61% | 0.607 | 22% | 0.218 | S | C | * | . | trans | -151.1 | 140.2 | -177 | 54.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 670 | I | 91.3 | Very high | 90.5 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 8% | 0.082 | 23% | 0.234 | C | C | . | . | trans | -101.3 | 118 | -179 | -52 | -174.4 | 0 | 0 | 0 | 109.9 | T666 M674 W675 Y703 V706 D707 | T666-I670 HydrophobicContact CG2-CG1 4.33Å; T666-I670 HydrophobicContact CG2-CG2 4.47Å; I670-M674 HydrophobicContact CG2-CB 3.8Å; I670-W675 HydrophobicContact CD1-CZ2 4.33Å; I670-W675 HydrophobicContact CG2-CD2 4.23Å; I670-W675 HydrophobicContact CG2-CG 4.06Å; I670-Y703 HydrophobicContact CD1-CD1 3.74Å; I670-Y703 HydrophobicContact CD1-CE1 4.31Å; I670-Y703 HydrophobicContact CD1-CG 4.37Å; I670-Y703 HydrophobicContact CG2-CD1 4.1Å; I670-Y703 HydrophobicContact CG2-CE1 3.76Å; I670-V706 HydrophobicContact CD1-CB 4.23Å; I670-V706 HydrophobicContact CG1-CB 4.3Å; I670-V706 HydrophobicContact CG1-CG1 4.14Å; I670-D707 HydrophobicContact CB-CB 4.28Å; I670-D707 HydrophobicContact CD1-CB 4.1Å; I670-D707 HydrophobicContact CG1-CB 4.22Å | ||
| 671 | S | 91.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 39.6 Ų | 39.6 | 13% | 0.133 | 22% | 0.222 | C | C | . | . | trans | -75.7 | 162 | 178.2 | 92.7 | 0 | 0 | 0 | 0 | 112.2 | E633 Q673 M674 W675 | E633-S671 WeakPolarHBondContact OE1-CB 3.4Å; E633-S671 PolarHBondContact OE1-OG 3.41Å; E633-S671 WeakPolarHBondContact OE2-CB 3.43Å; S671-Q673 PolarHBondContact O-N 3.47Å; S671-Q673 PolarHBondContact OG-N 3.14Å; S671-Q673 VanDerWaalsContact OG-N 3.1Å; S671-M674 PolarHBondContact O-N 3.06Å; S671-M674 PolarHBondContact OG-N 3.22Å; S671-M674 VanDerWaalsContact OG-N 3.16Å; S671-W675 PolarHBondContact O-N 3.04Å; S671-W675 VanDerWaalsContact O-N 3.1Å | ||
| 672 | P | 90.5 | Very high | 90.4 | Very high | 105 Ų | 105 | 42.7 Ų | 42.7 | 68% | 0.682 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -59.8 | -25.7 | 171.7 | -23.8 | 34.3 | 0 | 0 | 0 | 114.2 | Q676 | P672-Q676 WeakPolarHBondContact O-CG 3.45Å; P672-Q676 PolarHBondContact O-N 3.36Å |
| 673 | Q | 89.9 | Confident | 90.1 | Very high | 104 Ų | 104 | 49 Ų | 49 | 49% | 0.486 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -76.3 | -40.3 | 177.8 | -62.4 | -177.3 | 3.4 | 0 | 0 | 110.6 | L637 S671 W675 Q676 L677 | L637-Q673 HydrophobicContact CD1-CB 3.64Å; S671-Q673 PolarHBondContact O-N 3.47Å; S671-Q673 PolarHBondContact OG-N 3.14Å; S671-Q673 VanDerWaalsContact OG-N 3.1Å; Q673-W675 VanDerWaalsContact C-N 3.32Å; Q673-W675 PolarHBondContact O-N 3.48Å; Q673-Q676 WeakPolarHBondContact O-CA 3.46Å; Q673-Q676 WeakPolarHBondContact O-CB 3.36Å; Q673-Q676 PolarHBondContact O-N 2.85Å; Q673-L677 PolarHBondContact O-N 3.27Å; Q673-L677 VanDerWaalsContact O-N 3.13Å |
| 674 | M | 92.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 172.6 | -64.5 | -53.6 | -68.3 | 0 | 0 | 111.4 | L637 A662 L665 T666 I670 S671 Q676 L677 L678 Y703 | L637-M674 HydrophobicContact CD1-SD 4.39Å; L637-M674 HydrophobicContact CD2-SD 3.69Å; L637-M674 HydrophobicContact CG-SD 4.21Å; A662-M674 HydrophobicContact CB-CE 4.08Å; L665-M674 HydrophobicContact CB-CE 3.87Å; L665-M674 HydrophobicContact CB-SD 4.15Å; L665-M674 HydrophobicContact CD1-CE 4.17Å; L665-M674 HydrophobicContact CD1-SD 3.93Å; T666-M674 HydrophobicContact CG2-CB 4.3Å; T666-M674 HydrophobicContact CG2-CE 3.71Å; T666-M674 HydrophobicContact CG2-CG 4.39Å; I670-M674 HydrophobicContact CG2-CB 3.8Å; S671-M674 PolarHBondContact O-N 3.06Å; S671-M674 PolarHBondContact OG-N 3.22Å; S671-M674 VanDerWaalsContact OG-N 3.16Å; M674-Q676 PolarHBondContact O-N 2.87Å; M674-L677 HydrophobicContact CE-CD2 3.66Å; M674-L677 WeakPolarHBondContact O-CA 3.21Å; M674-L677 VanDerWaalsContact O-CB 3.24Å; M674-L677 WeakPolarHBondContact O-CB 3.3Å; M674-L677 PolarHBondContact O-N 3.49Å; M674-L677 HydrophobicContact SD-CD2 4.28Å; M674-L678 PolarHBondContact O-N 3.43Å; M674-Y703 PolarHBondContact O-OH 3.46Å |
| 675 | W | 93.1 | Very high | 89.8 | Confident | 20 Ų | 20 | 45.8 Ų | 45.8 | 8% | 0.076 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.4 | -27.5 | 172.4 | -80.3 | 110.6 | 0 | 0 | 0 | 114.1 | I670 S671 Q673 L678 Y703 D707 M710 L711 H717 | I670-W675 HydrophobicContact CD1-CZ2 4.33Å; I670-W675 HydrophobicContact CG2-CD2 4.23Å; I670-W675 HydrophobicContact CG2-CG 4.06Å; S671-W675 PolarHBondContact O-N 3.04Å; S671-W675 VanDerWaalsContact O-N 3.1Å; Q673-W675 VanDerWaalsContact C-N 3.32Å; Q673-W675 PolarHBondContact O-N 3.48Å; W675-L678 HydrophobicContact CE3-CD2 4.05Å; W675-L678 HydrophobicContact CZ3-CD2 3.84Å; W675-Y703 HydrophobicContact CD2-CD1 4.2Å; W675-Y703 HydrophobicContact CD2-CE1 4.31Å; W675-Y703 AromaticContact CE3-CD1 3.87Å; W675-Y703 HydrophobicContact CE3-CD1 3.87Å; W675-Y703 HydrophobicContact CE3-CE1 4.15Å; W675-Y703 AromaticContact CH2-CD1 3.87Å; W675-Y703 HydrophobicContact CH2-CD1 3.87Å; W675-Y703 HydrophobicContact CZ2-CD1 4.2Å; W675-Y703 AromaticContact CZ3-CD1 3.69Å; W675-Y703 HydrophobicContact CZ3-CD1 3.69Å; W675-Y703 HydrophobicContact CZ3-CE1 4.43Å; W675-Y703 HydrophobicContact CZ3-CG 4.38Å; W675-D707 HydrophobicContact CZ2-CB 4.18Å; W675-M710 HydrophobicContact CD2-CG 4.12Å; W675-M710 HydrophobicContact CG-CG 4.32Å; W675-M710 HydrophobicContact CZ2-CB 3.79Å; W675-M710 HydrophobicContact CZ2-CG 3.93Å; W675-L711 HydrophobicContact CH2-CB 3.84Å; W675-L711 HydrophobicContact CH2-CD1 3.97Å; W675-L711 HydrophobicContact CZ3-CD1 4.16Å; W675-H717 AromaticContact CD2-CE1 3.86Å; W675-H717 AromaticContact CE3-CE1 3.4Å; W675-H717 AromaticContact CE3-CG 3.87Å; W675-H717 AromaticContact CE3-ND1 3.32Å; W675-H717 VanDerWaalsContact CE3-ND1 3.32Å; W675-H717 HydrophobicContact CZ3-CB 3.97Å; W675-H717 AromaticContact CZ3-CE1 3.9Å; W675-H717 AromaticContact CZ3-CG 3.73Å; W675-H717 AromaticContact CZ3-ND1 3.3Å; W675-H717 VanDerWaalsContact CZ3-ND1 3.3Å; W675-H717 WeakPolarHBondContact CZ3-ND1 3.5Å |
| 676 | Q | 91.5 | Very high | 89.5 | Confident | 137 Ų | 137 | 48.2 Ų | 48.2 | 64% | 0.64 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -73.6 | -34.8 | 171.8 | -65.9 | 172.3 | 17.7 | 0 | 0 | 111.8 | P672 Q673 M674 L678 G679 I680 | P672-Q676 WeakPolarHBondContact O-CG 3.45Å; P672-Q676 PolarHBondContact O-N 3.36Å; Q673-Q676 WeakPolarHBondContact O-CA 3.46Å; Q673-Q676 WeakPolarHBondContact O-CB 3.36Å; Q673-Q676 PolarHBondContact O-N 2.85Å; M674-Q676 PolarHBondContact O-N 2.87Å; Q676-L678 VanDerWaalsContact C-N 3.26Å; Q676-L678 PolarHBondContact O-N 2.89Å; Q676-G679 PolarHBondContact O-N 2.91Å; Q676-G679 VanDerWaalsContact O-N 3.09Å; Q676-I680 PolarHBondContact O-N 3.36Å |
| 677 | L | 91.9 | Very high | 89 | Confident | 9 Ų | 9 | 55.3 Ų | 55.3 | 5% | 0.047 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -36.8 | 176.4 | -178 | 64.3 | 0 | 0 | 0 | 111.8 | L637 I640 L644 A662 Q673 M674 G679 I680 L681 | L637-L677 HydrophobicContact CD2-CD2 4.37Å; I640-L677 HydrophobicContact CG2-CD1 3.86Å; I640-L677 HydrophobicContact CG2-CD2 4.35Å; L644-L677 HydrophobicContact CD1-CD1 3.72Å; A662-L677 HydrophobicContact CB-CD2 3.91Å; Q673-L677 PolarHBondContact O-N 3.27Å; Q673-L677 VanDerWaalsContact O-N 3.13Å; M674-L677 HydrophobicContact CE-CD2 3.66Å; M674-L677 WeakPolarHBondContact O-CA 3.21Å; M674-L677 VanDerWaalsContact O-CB 3.24Å; M674-L677 WeakPolarHBondContact O-CB 3.3Å; M674-L677 PolarHBondContact O-N 3.49Å; M674-L677 HydrophobicContact SD-CD2 4.28Å; L677-G679 PolarHBondContact O-N 3.44Å; L677-I680 PolarHBondContact O-N 3.13Å; L677-L681 HydrophobicContact CD1-CG 4.27Å; L677-L681 HydrophobicContact CD2-CD1 4.43Å; L677-L681 HydrophobicContact CG-CD1 3.99Å; L677-L681 HydrophobicContact CG-CG 4.1Å; L677-L681 WeakPolarHBondContact O-CG 3.43Å; L677-L681 PolarHBondContact O-N 3.21Å |
| 678 | L | 92.7 | Very high | 88.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -54.2 | -40 | 174.6 | 179.4 | 62.8 | 0 | 0 | 0 | 112.6 | M674 W675 Q676 Y682 L700 Y703 H717 V720 I721 M724 | M674-L678 PolarHBondContact O-N 3.43Å; W675-L678 HydrophobicContact CE3-CD2 4.05Å; W675-L678 HydrophobicContact CZ3-CD2 3.84Å; Q676-L678 VanDerWaalsContact C-N 3.26Å; Q676-L678 PolarHBondContact O-N 2.89Å; L678-Y682 PolarHBondContact O-N 3.48Å; L678-Y682 VanDerWaalsContact O-N 3.12Å; L678-L700 HydrophobicContact CD1-CD2 3.89Å; L678-Y703 HydrophobicContact CB-CE1 4.36Å; L678-Y703 HydrophobicContact CB-CE2 4.26Å; L678-Y703 HydrophobicContact CD1-CD2 4.13Å; L678-Y703 HydrophobicContact CD1-CE2 4.18Å; L678-H717 HydrophobicContact CD2-CB 4.2Å; L678-V720 HydrophobicContact CD1-CG1 4.25Å; L678-V720 HydrophobicContact CG-CG1 4.19Å; L678-I721 HydrophobicContact CD1-CG1 4.25Å; L678-M724 HydrophobicContact CD1-CE 4.26Å |
| 679 | G | 90.1 | Very high | 88.1 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q676 L677 Y682 E683 | Q676-G679 PolarHBondContact O-N 2.91Å; Q676-G679 VanDerWaalsContact O-N 3.09Å; L677-G679 PolarHBondContact O-N 3.44Å; G679-Y682 WeakPolarHBondContact O-CB 3.37Å; G679-Y682 PolarHBondContact O-N 3.19Å; G679-E683 PolarHBondContact O-N 3.04Å |
| 680 | I | 89.3 | Confident | 87.9 | Confident | 70 Ų | 70 | 51.7 Ų | 51.7 | 36% | 0.359 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.1 | -46.1 | 177.1 | -59.7 | 172.4 | 0 | 0 | 0 | 110.2 | L644 Q676 L677 Y682 E683 V684 | L644-I680 HydrophobicContact CB-CG2 4.38Å; L644-I680 HydrophobicContact CD1-CG2 4.07Å; Q676-I680 PolarHBondContact O-N 3.36Å; L677-I680 PolarHBondContact O-N 3.13Å; I680-Y682 PolarHBondContact O-N 3.05Å; I680-E683 PolarHBondContact O-N 3.19Å; I680-V684 HydrophobicContact CG2-CG2 4.36Å; I680-V684 WeakPolarHBondContact O-CG2 3.14Å; I680-V684 PolarHBondContact O-N 3Å |
| 681 | L | 89.4 | Confident | 87.7 | Confident | 6 Ų | 6 | 57.3 Ų | 57.3 | 3% | 0.031 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.7 | -39.3 | 177.4 | -72.8 | 172.3 | 0 | 0 | 0 | 111.7 | L644 L659 L677 V684 F685 M696 L699 | L644-L681 HydrophobicContact CD1-CD2 4.15Å; L644-L681 HydrophobicContact CD2-CD2 4.49Å; L659-L681 HydrophobicContact CD2-CD2 3.94Å; L677-L681 HydrophobicContact CD1-CG 4.27Å; L677-L681 HydrophobicContact CD2-CD1 4.43Å; L677-L681 HydrophobicContact CG-CD1 3.99Å; L677-L681 HydrophobicContact CG-CG 4.1Å; L677-L681 WeakPolarHBondContact O-CG 3.43Å; L677-L681 PolarHBondContact O-N 3.21Å; L681-V684 PolarHBondContact O-N 3.29Å; L681-F685 WeakPolarHBondContact O-CB 3.49Å; L681-F685 PolarHBondContact O-N 2.81Å; L681-M696 HydrophobicContact CD2-CE 4.37Å; L681-L699 HydrophobicContact CD1-CD2 3.44Å; L681-L699 VanDerWaalsContact CD1-CD2 3.44Å |
| 682 | Y | 90.7 | Very high | 87.5 | Confident | 65 Ų | 65 | 58.7 Ų | 58.7 | 26% | 0.255 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 174 | 179.9 | -111.1 | 0 | 0 | 0 | 112.8 | L678 G679 I680 F685 Q686 V720 S723 M724 | L678-Y682 PolarHBondContact O-N 3.48Å; L678-Y682 VanDerWaalsContact O-N 3.12Å; G679-Y682 WeakPolarHBondContact O-CB 3.37Å; G679-Y682 PolarHBondContact O-N 3.19Å; I680-Y682 PolarHBondContact O-N 3.05Å; Y682-F685 PolarHBondContact O-N 3.2Å; Y682-Q686 HydrophobicContact CE1-CG 4.48Å; Y682-Q686 WeakPolarHBondContact O-CG 3.43Å; Y682-Q686 PolarHBondContact O-N 3.08Å; Y682-Q686 VanDerWaalsContact O-N 3.12Å; Y682-V720 HydrophobicContact CD1-CG2 4.22Å; Y682-V720 HydrophobicContact CD2-CB 4.41Å; Y682-V720 HydrophobicContact CD2-CG1 3.75Å; Y682-V720 HydrophobicContact CD2-CG2 4.49Å; Y682-V720 HydrophobicContact CG-CB 4.43Å; Y682-V720 HydrophobicContact CG-CG1 3.71Å; Y682-V720 HydrophobicContact CG-CG2 4.14Å; Y682-S723 PolarHBondContact OH-OG 2.63Å; Y682-M724 HydrophobicContact CD2-CE 4.49Å; Y682-M724 HydrophobicContact CD2-CG 3.65Å; Y682-M724 HydrophobicContact CD2-SD 4.07Å; Y682-M724 HydrophobicContact CE2-CG 4.07Å |
| 683 | E | 88 | Confident | 87.6 | Confident | 135 Ų | 135 | 53.7 Ų | 53.7 | 63% | 0.631 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -62.4 | -44.7 | 178 | -69.9 | -177.8 | 176.1 | 0 | 0 | 111.3 | G679 I680 Q686 H687 | G679-E683 PolarHBondContact O-N 3.04Å; I680-E683 PolarHBondContact O-N 3.19Å; E683-Q686 WeakPolarHBondContact O-CB 2.87Å; E683-Q686 PolarHBondContact O-N 2.84Å; E683-H687 PolarHBondContact O-CD2 2.9Å |
| 684 | V | 85.9 | Confident | 87.6 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 12% | 0.115 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 179.3 | -173.2 | 0 | 0 | 0 | 0 | 111.5 | L644 I680 L681 Q686 H687 D688 C689 | L644-V684 HydrophobicContact CB-CG2 4.46Å; L644-V684 HydrophobicContact CD2-CB 4.47Å; L644-V684 HydrophobicContact CD2-CG1 4.26Å; L644-V684 HydrophobicContact CD2-CG2 4.16Å; I680-V684 HydrophobicContact CG2-CG2 4.36Å; I680-V684 WeakPolarHBondContact O-CG2 3.14Å; I680-V684 PolarHBondContact O-N 3Å; L681-V684 PolarHBondContact O-N 3.29Å; V684-Q686 PolarHBondContact O-N 3.4Å; V684-H687 PolarHBondContact O-N 2.97Å; V684-D688 PolarHBondContact O-N 3.05Å; V684-C689 HydrophobicContact CG1-CB 4.24Å; V684-C689 WeakPolarHBondContact CG1-SG 3.49Å; V684-C689 PolarHBondContact O-N 3.25Å |
| 685 | F | 87.6 | Confident | 87.5 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60 | -27.7 | 172.4 | 178.8 | -95.5 | 0 | 0 | 0 | 112.9 | L681 Y682 H687 F690 F693 M696 M724 K727 V728 | L681-F685 WeakPolarHBondContact O-CB 3.49Å; L681-F685 PolarHBondContact O-N 2.81Å; Y682-F685 PolarHBondContact O-N 3.2Å; F685-H687 PolarHBondContact O-N 3.14Å; F685-F690 HydrophobicContact CE1-CD2 4.11Å; F685-F690 AromaticContact CE2-CD2 3.93Å; F685-F690 HydrophobicContact CE2-CD2 3.93Å; F685-F690 AromaticContact CZ-CD2 3.51Å; F685-F690 HydrophobicContact CZ-CD2 3.51Å; F685-F690 AromaticContact CZ-CE2 3.96Å; F685-F690 HydrophobicContact CZ-CE2 3.96Å; F685-F693 HydrophobicContact CE2-CB 4.13Å; F685-F693 AromaticContact CE2-CD2 3.75Å; F685-F693 HydrophobicContact CE2-CD2 3.75Å; F685-F693 HydrophobicContact CE2-CG 4.4Å; F685-F693 HydrophobicContact CZ-CD2 4.05Å; F685-M696 HydrophobicContact CB-SD 4.48Å; F685-M696 HydrophobicContact CD2-SD 3.93Å; F685-M724 HydrophobicContact CB-SD 4.18Å; F685-M724 HydrophobicContact CD1-CB 4.11Å; F685-M724 HydrophobicContact CD1-CG 3.56Å; F685-M724 HydrophobicContact CD1-SD 4.04Å; F685-M724 HydrophobicContact CE1-CB 3.8Å; F685-M724 HydrophobicContact CE1-CG 3.77Å; F685-M724 HydrophobicContact CG-CG 4.15Å; F685-M724 HydrophobicContact CG-SD 4.01Å; F685-M724 HydrophobicContact CZ-CB 4.23Å; F685-K727 HydrophobicContact CE1-CB 4.24Å; F685-K727 HydrophobicContact CE1-CD 3.87Å; F685-V728 HydrophobicContact CE2-CG2 4.39Å; F685-V728 HydrophobicContact CZ-CG2 3.76Å |
| 686 | Q | 85 | Confident | 87.5 | Confident | 61 Ų | 61 | 52.2 Ų | 52.2 | 29% | 0.285 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.5 | -25.2 | 175.6 | -69.3 | -51.2 | -36.2 | 0 | 0 | 113.5 | Y682 E683 V684 K727 | Y682-Q686 HydrophobicContact CE1-CG 4.48Å; Y682-Q686 WeakPolarHBondContact O-CG 3.43Å; Y682-Q686 PolarHBondContact O-N 3.08Å; Y682-Q686 VanDerWaalsContact O-N 3.12Å; E683-Q686 WeakPolarHBondContact O-CB 2.87Å; E683-Q686 PolarHBondContact O-N 2.84Å; V684-Q686 PolarHBondContact O-N 3.4Å; Q686-K727 PolarHBondContact O-NZ 3.38Å |
| 687 | H | 79.2 | Confident | 87.5 | Confident | 149 Ų | 149 | 45.7 Ų | 45.7 | 69% | 0.69 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -113.4 | -66 | -171.8 | -65 | -65.8 | 0 | 0 | 0 | 112.7 | E683 V684 F685 | E683-H687 PolarHBondContact O-CD2 2.9Å; V684-H687 PolarHBondContact O-N 2.97Å; F685-H687 PolarHBondContact O-N 3.14Å |
| 688 | D | 73 | Confident | 87.6 | Confident | 100 Ų | 100 | 47 Ų | 47 | 54% | 0.535 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -118.9 | -15.6 | -160.6 | -61.6 | -31.7 | 0 | 0 | 0 | 114.1 | V684 | V684-D688 PolarHBondContact O-N 3.05Š|
| 689 | C | 79.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.007 | 24% | 0.242 | C | C | . | . | trans | -104.8 | 15.2 | -178.8 | -69.9 | 0 | 0 | 0 | 0 | 114.8 | Y655 V684 D691 Y692 M696 | Y655-C689 WeakPolarHBondContact CD2-SG 3.38Å; Y655-C689 HydrophobicContact CE2-CB 4.46Å; Y655-C689 WeakPolarHBondContact CE2-SG 3.3Å; V684-C689 HydrophobicContact CG1-CB 4.24Å; V684-C689 WeakPolarHBondContact CG1-SG 3.49Å; V684-C689 PolarHBondContact O-N 3.25Å; C689-D691 VanDerWaalsContact C-N 3.27Å; C689-D691 PolarHBondContact O-N 3.49Å; C689-Y692 PolarHBondContact O-N 3.27Å; C689-Y692 VanDerWaalsContact O-N 3.17Å; C689-M696 HydrophobicContact CB-CE 3.36Å | ||
| 690 | F | 84.5 | Confident | 87.8 | Confident | 33 Ų | 33 | 45.5 Ų | 45.5 | 15% | 0.145 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -59.4 | -38.8 | -176.1 | 179.8 | -102.8 | 0 | 0 | 0 | 112.8 | F685 Y692 K727 V728 L731 A733 | F685-F690 HydrophobicContact CE1-CD2 4.11Å; F685-F690 AromaticContact CE2-CD2 3.93Å; F685-F690 HydrophobicContact CE2-CD2 3.93Å; F685-F690 AromaticContact CZ-CD2 3.51Å; F685-F690 HydrophobicContact CZ-CD2 3.51Å; F685-F690 AromaticContact CZ-CE2 3.96Å; F685-F690 HydrophobicContact CZ-CE2 3.96Å; F690-Y692 PolarHBondContact O-N 3.24Å; F690-K727 HydrophobicContact CD2-CD 4.15Å; F690-K727 HydrophobicContact CD2-CG 4.33Å; F690-K727 HydrophobicContact CE2-CB 4.47Å; F690-K727 HydrophobicContact CE2-CD 4.18Å; F690-K727 HydrophobicContact CE2-CG 3.84Å; F690-V728 HydrophobicContact CE2-CG2 4.15Å; F690-L731 HydrophobicContact CE2-CD1 4.47Å; F690-L731 HydrophobicContact CZ-CB 3.88Å; F690-L731 HydrophobicContact CZ-CD1 4.45Å; F690-A733 HydrophobicContact CE1-CB 3.72Å; F690-A733 HydrophobicContact CZ-CB 3.65Å |
| 691 | D | 86.3 | Confident | 88.1 | Confident | 134 Ų | 134 | 42.8 Ų | 42.8 | 72% | 0.717 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -73.6 | -14.7 | -178 | -59.8 | -30.1 | 0 | 0 | 0 | 113.2 | C689 | C689-D691 VanDerWaalsContact C-N 3.27Å; C689-D691 PolarHBondContact O-N 3.49Å |
| 692 | Y | 87.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 18% | 0.184 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -97.8 | 23.2 | -178 | -65.5 | -89.2 | 0 | 0 | 0 | 112.7 | A652 Y655 E656 C689 F690 T694 D695 M696 | A652-Y692 HydrophobicContact CB-CE2 4.25Å; A652-Y692 PolarHBondContact O-OH 2.9Å; A652-Y692 VanDerWaalsContact O-OH 3.07Å; Y655-Y692 AromaticContact CD2-CD2 3.71Å; Y655-Y692 HydrophobicContact CD2-CD2 3.71Å; Y655-Y692 AromaticContact CD2-CE2 3.67Å; Y655-Y692 HydrophobicContact CD2-CE2 3.67Å; Y655-Y692 HydrophobicContact CD2-CG 4.25Å; Y655-Y692 HydrophobicContact CE2-CE2 4.42Å; E656-Y692 HydrophobicContact CG-CD1 4.13Å; E656-Y692 HydrophobicContact CG-CE1 4.13Å; C689-Y692 PolarHBondContact O-N 3.27Å; C689-Y692 VanDerWaalsContact O-N 3.17Å; F690-Y692 PolarHBondContact O-N 3.24Å; Y692-T694 VanDerWaalsContact C-N 3.29Å; Y692-T694 PolarHBondContact O-N 2.91Å; Y692-D695 PolarHBondContact O-N 3.42Å; Y692-M696 WeakPolarHBondContact O-CG 3.49Å; Y692-M696 PolarHBondContact O-N 3.11Å |
| 693 | F | 91.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -37.1 | -178.4 | -176 | -94.9 | 0 | 0 | 0 | 112.5 | F685 D695 M696 M697 L700 M724 V728 A737 H740 A741 L744 | F685-F693 HydrophobicContact CE2-CB 4.13Å; F685-F693 AromaticContact CE2-CD2 3.75Å; F685-F693 HydrophobicContact CE2-CD2 3.75Å; F685-F693 HydrophobicContact CE2-CG 4.4Å; F685-F693 HydrophobicContact CZ-CD2 4.05Å; F693-D695 VanDerWaalsContact C-N 3.3Å; F693-D695 PolarHBondContact O-N 3.1Å; F693-M696 PolarHBondContact O-N 3.32Å; F693-M697 PolarHBondContact O-N 2.76Å; F693-M697 VanDerWaalsContact O-N 3.11Å; F693-L700 HydrophobicContact CE2-CD1 4.01Å; F693-L700 HydrophobicContact CZ-CD1 4.41Å; F693-M724 HydrophobicContact CE2-CB 4.12Å; F693-V728 HydrophobicContact CB-CG2 4.08Å; F693-V728 HydrophobicContact CD1-CG1 4.36Å; F693-V728 HydrophobicContact CD1-CG2 4.03Å; F693-V728 HydrophobicContact CD2-CG2 3.56Å; F693-V728 HydrophobicContact CE1-CG2 4.42Å; F693-V728 HydrophobicContact CE2-CG2 3.96Å; F693-V728 HydrophobicContact CG-CG2 3.59Å; F693-V728 HydrophobicContact CZ-CG2 4.38Å; F693-A737 HydrophobicContact CB-CB 4.41Å; F693-A737 HydrophobicContact CD1-CB 4.41Å; F693-H740 HydrophobicContact CD1-CB 4.29Å; F693-H740 HydrophobicContact CE1-CB 4.03Å; F693-A741 HydrophobicContact CE1-CB 3.68Å; F693-A741 HydrophobicContact CZ-CB 3.92Å; F693-L744 HydrophobicContact CZ-CD2 4.48Å |
| 694 | T | 91.4 | Very high | 88.7 | Confident | 33 Ų | 33 | 33.6 Ų | 33.6 | 20% | 0.202 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.4 | -61.7 | 0 | 0 | 0 | 0 | 110.7 | Y692 M696 M697 D736 | Y692-T694 VanDerWaalsContact C-N 3.29Å; Y692-T694 PolarHBondContact O-N 2.91Å; T694-M696 VanDerWaalsContact C-N 3.33Å; T694-M696 PolarHBondContact O-N 3.48Å; T694-M697 VanDerWaalsContact O-CB 3.29Å; T694-M697 WeakPolarHBondContact O-CB 3.41Å; T694-M697 PolarHBondContact O-N 3.43Å; T694-D736 WeakPolarHBondContact CG2-OD2 3.04Å; T694-D736 PolarHBondContact OG1-OD2 2.98Å |
| 695 | D | 90.7 | Very high | 89 | Confident | 57 Ų | 57 | 34 Ų | 34 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -71.8 | -26.5 | 177.5 | -47.8 | -71.3 | 0 | 0 | 0 | 113.1 | E656 L659 Y692 F693 M697 P698 | E656-D695 HydrophobicContact CG-CB 4.46Å; L659-D695 HydrophobicContact CD1-CB 3.84Å; Y692-D695 PolarHBondContact O-N 3.42Å; F693-D695 VanDerWaalsContact C-N 3.3Å; F693-D695 PolarHBondContact O-N 3.1Å; D695-M697 VanDerWaalsContact C-N 3.32Å; D695-P698 WeakPolarHBondContact O-CD 3.1Å |
| 696 | M | 92.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 36.3 Ų | 36.3 | 2% | 0.02 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -74.7 | -22.7 | 173.6 | -71.3 | -175.2 | 175.9 | 0 | 0 | 112.8 | L659 L681 F685 C689 Y692 F693 T694 L699 L700 | L659-M696 HydrophobicContact CD1-CB 4.46Å; L659-M696 HydrophobicContact CD1-CE 4.29Å; L659-M696 HydrophobicContact CD1-CG 3.53Å; L659-M696 HydrophobicContact CD2-CE 4.33Å; L659-M696 HydrophobicContact CD2-CG 3.75Å; L659-M696 HydrophobicContact CG-CG 4.3Å; L681-M696 HydrophobicContact CD2-CE 4.37Å; F685-M696 HydrophobicContact CB-SD 4.48Å; F685-M696 HydrophobicContact CD2-SD 3.93Å; C689-M696 HydrophobicContact CB-CE 3.36Å; Y692-M696 WeakPolarHBondContact O-CG 3.49Å; Y692-M696 PolarHBondContact O-N 3.11Å; F693-M696 PolarHBondContact O-N 3.32Å; T694-M696 VanDerWaalsContact C-N 3.33Å; T694-M696 PolarHBondContact O-N 3.48Å; M696-L699 PolarHBondContact O-N 3.04Å; M696-L700 HydrophobicContact CB-CD1 4.3Å; M696-L700 HydrophobicContact CB-CG 4.48Å; M696-L700 WeakPolarHBondContact O-CG 3.39Å; M696-L700 PolarHBondContact O-N 3.37Å |
| 697 | M | 92.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.2 | -47 | -171.5 | 176.3 | 59.9 | -178.1 | 0 | 0 | 113.7 | F693 T694 D695 L699 L700 H701 H740 K743 L744 Y955 | F693-M697 PolarHBondContact O-N 2.76Å; F693-M697 VanDerWaalsContact O-N 3.11Å; T694-M697 VanDerWaalsContact O-CB 3.29Å; T694-M697 WeakPolarHBondContact O-CB 3.41Å; T694-M697 PolarHBondContact O-N 3.43Å; D695-M697 VanDerWaalsContact C-N 3.32Å; M697-L699 VanDerWaalsContact C-N 3.3Å; M697-L699 PolarHBondContact O-N 2.68Å; M697-L700 PolarHBondContact O-N 3.23Å; M697-H701 HydrophobicContact CE-CB 4.48Å; M697-H701 WeakPolarHBondContact O-CB 3.45Å; M697-H701 PolarHBondContact O-N 2.89Å; M697-H740 HydrophobicContact CB-CB 4.4Å; M697-H740 HydrophobicContact CG-CB 4.27Å; M697-K743 HydrophobicContact CE-CB 4.5Å; M697-K743 HydrophobicContact CE-CG 4.32Å; M697-L744 HydrophobicContact CE-CB 3.79Å; M697-L744 HydrophobicContact CE-CD1 3.96Å; M697-L744 HydrophobicContact CE-CG 4.38Å; M697-L744 HydrophobicContact SD-CB 3.65Å; M697-L744 HydrophobicContact SD-CD1 3.89Å; M697-L744 HydrophobicContact SD-CD2 3.92Å; M697-L744 HydrophobicContact SD-CG 4.01Å; M697-Y955 HydrophobicContact CB-CE1 4.48Å; M697-Y955 HydrophobicContact CE-CD1 3.89Å; M697-Y955 HydrophobicContact CE-CD2 4.12Å; M697-Y955 HydrophobicContact CE-CE1 4.22Å; M697-Y955 HydrophobicContact CE-CE2 4.44Å; M697-Y955 HydrophobicContact CE-CG 3.82Å; M697-Y955 HydrophobicContact CG-CD1 4.23Å; M697-Y955 HydrophobicContact CG-CE1 3.62Å; M697-Y955 HydrophobicContact CG-CE2 3.98Å; M697-Y955 VanDerWaalsContact CG-CZ 3.47Å |
| 698 | P | 92.9 | Very high | 90 | Very high | 36 Ų | 36 | 28.9 Ų | 28.9 | 23% | 0.234 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -56.7 | -42.9 | 177.8 | -25 | 34.3 | 0 | 0 | 0 | 113 | F663 D695 H701 N702 Y955 | F663-P698 HydrophobicContact CD2-CB 3.51Å; F663-P698 HydrophobicContact CE2-CB 3.8Å; F663-P698 HydrophobicContact CG-CB 4.12Å; D695-P698 WeakPolarHBondContact O-CD 3.1Å; P698-H701 PolarHBondContact O-N 3.35Å; P698-N702 PolarHBondContact O-N 2.86Å; P698-Y955 HydrophobicContact CB-CE1 4.44Å; P698-Y955 HydrophobicContact CG-CE1 4.17Å |
| 699 | L | 93.8 | Very high | 90.8 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -66.8 | -43.7 | 177.7 | 175 | 60.6 | 0 | 0 | 0 | 111.8 | L659 A662 F663 T666 L681 M696 M697 H701 N702 Y703 | L659-L699 HydrophobicContact CD2-CD2 4.1Å; A662-L699 HydrophobicContact CB-CD1 4.09Å; A662-L699 HydrophobicContact CB-CD2 3.61Å; A662-L699 HydrophobicContact CB-CG 4.46Å; A662-L699 WeakPolarHBondContact O-CD1 3.38Å; F663-L699 HydrophobicContact CB-CB 4.49Å; T666-L699 HydrophobicContact CG2-CD1 3.74Å; T666-L699 WeakPolarHBondContact OG1-CD1 3.29Å; L681-L699 HydrophobicContact CD1-CD2 3.44Å; L681-L699 VanDerWaalsContact CD1-CD2 3.44Å; M696-L699 PolarHBondContact O-N 3.04Å; M697-L699 VanDerWaalsContact C-N 3.3Å; M697-L699 PolarHBondContact O-N 2.68Å; L699-H701 VanDerWaalsContact C-N 3.3Å; L699-H701 PolarHBondContact O-N 2.91Å; L699-N702 PolarHBondContact O-N 3.38Å; L699-Y703 HydrophobicContact CD1-CD2 4.24Å; L699-Y703 HydrophobicContact CD1-CE2 3.62Å; L699-Y703 HydrophobicContact CD2-CE2 4.3Å; L699-Y703 HydrophobicContact CG-CD2 4.21Å; L699-Y703 HydrophobicContact CG-CE2 3.69Å; L699-Y703 WeakPolarHBondContact O-CD2 3.32Å; L699-Y703 PolarHBondContact O-N 3.45Å |
| 700 | L | 94.8 | Very high | 91.3 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64.2 | -36.5 | 176.6 | -66 | 179.2 | 0 | 0 | 0 | 111.9 | L678 F693 M696 M697 Y703 V704 I721 M724 L744 | L678-L700 HydrophobicContact CD1-CD2 3.89Å; F693-L700 HydrophobicContact CE2-CD1 4.01Å; F693-L700 HydrophobicContact CZ-CD1 4.41Å; M696-L700 HydrophobicContact CB-CD1 4.3Å; M696-L700 HydrophobicContact CB-CG 4.48Å; M696-L700 WeakPolarHBondContact O-CG 3.39Å; M696-L700 PolarHBondContact O-N 3.37Å; M697-L700 PolarHBondContact O-N 3.23Å; L700-Y703 PolarHBondContact O-N 3.01Å; L700-V704 WeakPolarHBondContact O-CG2 3.48Å; L700-V704 PolarHBondContact O-N 3.14Å; L700-I721 HydrophobicContact CD2-CG1 4.34Å; L700-M724 HydrophobicContact CD1-CE 4.29Å; L700-M724 HydrophobicContact CD2-CE 3.74Å; L700-L744 HydrophobicContact CB-CD1 4.44Å; L700-L744 HydrophobicContact CB-CD2 3.71Å; L700-L744 HydrophobicContact CD1-CD2 3.82Å; L700-L744 HydrophobicContact CG-CD2 4.41Å |
| 701 | H | 94.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.3 | 179.5 | -86.8 | 0 | 0 | 0 | 111.2 | M697 P698 L699 Y703 V704 T705 Y955 S956 | M697-H701 HydrophobicContact CE-CB 4.48Å; M697-H701 WeakPolarHBondContact O-CB 3.45Å; M697-H701 PolarHBondContact O-N 2.89Å; P698-H701 PolarHBondContact O-N 3.35Å; L699-H701 VanDerWaalsContact C-N 3.3Å; L699-H701 PolarHBondContact O-N 2.91Å; H701-Y703 PolarHBondContact O-N 3.1Å; H701-V704 WeakPolarHBondContact O-CA 3.21Å; H701-V704 WeakPolarHBondContact O-CB 3.38Å; H701-V704 PolarHBondContact O-N 2.95Å; H701-T705 VanDerWaalsContact CE1-CG2 3.42Å; H701-T705 WeakPolarHBondContact CE1-CG2 3.41Å; H701-T705 PolarHBondContact ND1-OG1 3.3Å; H701-T705 PolarHBondContact O-N 3.17Å; H701-T705 PolarHBondContact O-OG1 3.11Å; H701-Y955 HydrophobicContact CB-CD1 4.11Å; H701-Y955 AromaticContact CD2-CD1 3.99Å; H701-S956 PolarHBondContact NE2-O 3.34Å |
| 702 | N | 93.7 | Very high | 91.8 | Very high | 13 Ų | 13 | 27 Ų | 27 | 7% | 0.07 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -42.8 | 176.4 | -76.6 | -5.4 | 0 | 0 | 0 | 112.7 | F663 T666 P698 L699 V704 T705 V706 | F663-N702 WeakPolarHBondContact CD2-ND2 3.3Å; F663-N702 WeakPolarHBondContact CE2-ND2 3.46Å; F663-N702 PolarHBondContact O-ND2 3.26Å; T666-N702 WeakPolarHBondContact OG1-CB 3.24Å; T666-N702 PolarHBondContact OG1-ND2 3.25Å; P698-N702 PolarHBondContact O-N 2.86Å; L699-N702 PolarHBondContact O-N 3.38Å; N702-V704 PolarHBondContact O-N 3.4Å; N702-V704 VanDerWaalsContact O-N 3.16Å; N702-T705 PolarHBondContact O-N 2.9Å; N702-V706 HydrophobicContact CB-CG2 4.2Å; N702-V706 WeakPolarHBondContact O-CB 3.31Å; N702-V706 PolarHBondContact O-N 3.15Å |
| 703 | Y | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -57.9 | -28.3 | 174.5 | -76.6 | -65.3 | 0 | 0 | 0 | 113.3 | I670 M674 W675 L678 L699 L700 H701 | I670-Y703 HydrophobicContact CD1-CD1 3.74Å; I670-Y703 HydrophobicContact CD1-CE1 4.31Å; I670-Y703 HydrophobicContact CD1-CG 4.37Å; I670-Y703 HydrophobicContact CG2-CD1 4.1Å; I670-Y703 HydrophobicContact CG2-CE1 3.76Å; M674-Y703 PolarHBondContact O-OH 3.46Å; W675-Y703 HydrophobicContact CD2-CD1 4.2Å; W675-Y703 HydrophobicContact CD2-CE1 4.31Å; W675-Y703 AromaticContact CE3-CD1 3.87Å; W675-Y703 HydrophobicContact CE3-CD1 3.87Å; W675-Y703 HydrophobicContact CE3-CE1 4.15Å; W675-Y703 AromaticContact CH2-CD1 3.87Å; W675-Y703 HydrophobicContact CH2-CD1 3.87Å; W675-Y703 HydrophobicContact CZ2-CD1 4.2Å; W675-Y703 AromaticContact CZ3-CD1 3.69Å; W675-Y703 HydrophobicContact CZ3-CD1 3.69Å; W675-Y703 HydrophobicContact CZ3-CE1 4.43Å; W675-Y703 HydrophobicContact CZ3-CG 4.38Å; L678-Y703 HydrophobicContact CB-CE1 4.36Å; L678-Y703 HydrophobicContact CB-CE2 4.26Å; L678-Y703 HydrophobicContact CD1-CD2 4.13Å; L678-Y703 HydrophobicContact CD1-CE2 4.18Å; L699-Y703 HydrophobicContact CD1-CD2 4.24Å; L699-Y703 HydrophobicContact CD1-CE2 3.62Å; L699-Y703 HydrophobicContact CD2-CE2 4.3Å; L699-Y703 HydrophobicContact CG-CD2 4.21Å; L699-Y703 HydrophobicContact CG-CE2 3.69Å; L699-Y703 WeakPolarHBondContact O-CD2 3.32Å; L699-Y703 PolarHBondContact O-N 3.45Å; L700-Y703 PolarHBondContact O-N 3.01Å; H701-Y703 PolarHBondContact O-N 3.1Å |
| 704 | V | 93.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -85.8 | -43.8 | 179 | 177.4 | 0 | 0 | 0 | 0 | 111.6 | L700 H701 N702 T708 L711 I721 L744 V747 I748 Q751 | L700-V704 WeakPolarHBondContact O-CG2 3.48Å; L700-V704 PolarHBondContact O-N 3.14Å; H701-V704 WeakPolarHBondContact O-CA 3.21Å; H701-V704 WeakPolarHBondContact O-CB 3.38Å; H701-V704 PolarHBondContact O-N 2.95Å; N702-V704 PolarHBondContact O-N 3.4Å; N702-V704 VanDerWaalsContact O-N 3.16Å; V704-T708 PolarHBondContact O-OG1 3.42Å; V704-L711 HydrophobicContact CG1-CD2 4.47Å; V704-L711 HydrophobicContact CG2-CD2 4.24Å; V704-I721 HydrophobicContact CG2-CD1 4.14Å; V704-L744 HydrophobicContact CG2-CD1 4.32Å; V704-V747 HydrophobicContact CG1-CG1 4.1Å; V704-I748 HydrophobicContact CB-CG1 4.46Å; V704-I748 HydrophobicContact CG1-CB 4.49Å; V704-I748 HydrophobicContact CG1-CG1 3.86Å; V704-I748 HydrophobicContact CG2-CD1 4.31Å; V704-I748 HydrophobicContact CG2-CG1 3.72Å; V704-Q751 HydrophobicContact CG1-CB 4.09Å; V704-Q751 HydrophobicContact CG1-CG 4.12Å |
| 705 | T | 91.9 | Very high | 91.5 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 16% | 0.16 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -91 | -34.4 | -168.2 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | H701 N702 V747 Q751 | H701-T705 VanDerWaalsContact CE1-CG2 3.42Å; H701-T705 WeakPolarHBondContact CE1-CG2 3.41Å; H701-T705 PolarHBondContact ND1-OG1 3.3Å; H701-T705 PolarHBondContact O-N 3.17Å; H701-T705 PolarHBondContact O-OG1 3.11Å; N702-T705 PolarHBondContact O-N 2.9Å; T705-V747 HydrophobicContact CG2-CG1 4.03Å; T705-Q751 PolarHBondContact O-NE2 3.48Å |
| 706 | V | 91.1 | Very high | 91.5 | Very high | 49 Ų | 49 | 38 Ų | 38 | 30% | 0.297 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -44.6 | -173.4 | 179 | 0 | 0 | 0 | 0 | 112.3 | Q668 I670 N702 | Q668-V706 WeakPolarHBondContact O-CG1 3.46Å; I670-V706 HydrophobicContact CD1-CB 4.23Å; I670-V706 HydrophobicContact CG1-CB 4.3Å; I670-V706 HydrophobicContact CG1-CG1 4.14Å; N702-V706 HydrophobicContact CB-CG2 4.2Å; N702-V706 WeakPolarHBondContact O-CB 3.31Å; N702-V706 PolarHBondContact O-N 3.15Å |
| 707 | D | 90.1 | Very high | 91.4 | Very high | 46 Ų | 46 | 39 Ų | 39 | 25% | 0.246 | 22% | 0.215 | C | C | . | . | trans | -130.6 | 62 | -179.5 | -169.2 | 0.3 | 0 | 0 | 0 | 112.1 | I670 W675 D709 M710 L711 | I670-D707 HydrophobicContact CB-CB 4.28Å; I670-D707 HydrophobicContact CD1-CB 4.1Å; I670-D707 HydrophobicContact CG1-CB 4.22Å; W675-D707 HydrophobicContact CZ2-CB 4.18Å; D707-D709 PolarHBondContact O-N 3.38Å; D707-M710 HydrophobicContact CB-CB 4.49Å; D707-M710 PolarHBondContact O-N 3.43Å; D707-M710 VanDerWaalsContact OD1-CB 3.31Å; D707-M710 WeakPolarHBondContact OD1-CB 2.98Å; D707-M710 PolarHBondContact OD1-N 3.02Å; D707-M710 WeakPolarHBondContact OD2-CB 3.39Å; D707-L711 PolarHBondContact O-N 2.95Å; D707-L711 VanDerWaalsContact O-N 3.12Å | ||
| 708 | T | 90.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 39.6 Ų | 39.6 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.9 | -30.9 | 178.4 | -47.1 | 0 | 0 | 0 | 0 | 112.4 | V704 L711 L712 Q751 | V704-T708 PolarHBondContact O-OG1 3.42Å; T708-L711 WeakPolarHBondContact O-CB 3.39Å; T708-L711 PolarHBondContact O-N 3.06Å; T708-L712 HydrophobicContact CG2-CD1 4.08Å; T708-L712 HydrophobicContact CG2-CG 4.41Å; T708-L712 VanDerWaalsContact O-CG 3.32Å; T708-L712 WeakPolarHBondContact O-CG 3.24Å; T708-L712 PolarHBondContact O-N 3.12Å; T708-L712 VanDerWaalsContact O-N 3.1Å; T708-Q751 HydrophobicContact CG2-CG 4.15Å; T708-Q751 PolarHBondContact OG1-NE2 3.03Å; T708-Q751 VanDerWaalsContact OG1-NE2 3.08Å |
| 709 | D | 90.3 | Very high | 91.3 | Very high | 111 Ų | 111 | 43.9 Ų | 43.9 | 59% | 0.594 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -69.8 | -41.8 | -178.3 | -69.8 | -26.9 | 0 | 0 | 0 | 111.3 | D707 L712 S713 R755 | D707-D709 PolarHBondContact O-N 3.38Å; D709-L712 PolarHBondContact O-N 2.94Å; D709-S713 PolarHBondContact O-N 3.27Å; D709-S713 VanDerWaalsContact O-N 3.1Å; D709-R755 IonicContact OD1-NH1 3.69Å; D709-R755 PolarHBondContact OD1-NH1 3.24Å |
| 710 | M | 90.3 | Very high | 91.3 | Very high | 64 Ų | 64 | 45 Ų | 45 | 32% | 0.315 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -69.1 | -38.2 | 174 | -172.4 | 54.7 | -129.9 | 0 | 0 | 112 | W675 D707 L712 S713 N714 | W675-M710 HydrophobicContact CD2-CG 4.12Å; W675-M710 HydrophobicContact CG-CG 4.32Å; W675-M710 HydrophobicContact CZ2-CB 3.79Å; W675-M710 HydrophobicContact CZ2-CG 3.93Å; D707-M710 HydrophobicContact CB-CB 4.49Å; D707-M710 PolarHBondContact O-N 3.43Å; D707-M710 VanDerWaalsContact OD1-CB 3.31Å; D707-M710 WeakPolarHBondContact OD1-CB 2.98Å; D707-M710 PolarHBondContact OD1-N 3.02Å; D707-M710 WeakPolarHBondContact OD2-CB 3.39Å; M710-L712 VanDerWaalsContact C-N 3.29Å; M710-L712 PolarHBondContact O-N 3.15Å; M710-S713 WeakPolarHBondContact CE-OG 3.43Å; M710-S713 PolarHBondContact O-N 3.39Å; M710-S713 PolarHBondContact O-OG 3.11Å; M710-S713 PolarHBondContact SD-OG 3.32Å; M710-N714 HydrophobicContact CE-CB 4.19Å |
| 711 | L | 91 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -51.7 | -48.3 | 172.7 | -178 | 75.6 | 0 | 0 | 0 | 111.5 | W675 V704 D707 T708 H717 I721 | W675-L711 HydrophobicContact CH2-CB 3.84Å; W675-L711 HydrophobicContact CH2-CD1 3.97Å; W675-L711 HydrophobicContact CZ3-CD1 4.16Å; V704-L711 HydrophobicContact CG1-CD2 4.47Å; V704-L711 HydrophobicContact CG2-CD2 4.24Å; D707-L711 PolarHBondContact O-N 2.95Å; D707-L711 VanDerWaalsContact O-N 3.12Å; T708-L711 WeakPolarHBondContact O-CB 3.39Å; T708-L711 PolarHBondContact O-N 3.06Å; L711-H717 HydrophobicContact CD1-CB 3.84Å; L711-I721 HydrophobicContact CD1-CD1 3.91Å |
| 712 | L | 90.3 | Very high | 91.3 | Very high | 53 Ų | 53 | 45.4 Ų | 45.4 | 28% | 0.277 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -78.2 | -21.4 | -176.2 | -65.9 | 175.8 | 0 | 0 | 0 | 113.6 | T708 D709 M710 N714 R755 I757 | T708-L712 HydrophobicContact CG2-CD1 4.08Å; T708-L712 HydrophobicContact CG2-CG 4.41Å; T708-L712 VanDerWaalsContact O-CG 3.32Å; T708-L712 WeakPolarHBondContact O-CG 3.24Å; T708-L712 PolarHBondContact O-N 3.12Å; T708-L712 VanDerWaalsContact O-N 3.1Å; D709-L712 PolarHBondContact O-N 2.94Å; M710-L712 VanDerWaalsContact C-N 3.29Å; M710-L712 PolarHBondContact O-N 3.15Å; L712-N714 VanDerWaalsContact C-N 3.3Å; L712-N714 PolarHBondContact O-N 3.48Å; L712-R755 HydrophobicContact CD1-CB 3.59Å; L712-R755 HydrophobicContact CD1-CG 4.4Å; L712-I757 HydrophobicContact CD2-CG2 3.57Å |
| 713 | S | 89.9 | Confident | 91.4 | Very high | 77 Ų | 77 | 46.4 Ų | 46.4 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.1 | -27 | 179.7 | 76.8 | 0 | 0 | 0 | 0 | 113.6 | D709 M710 | D709-S713 PolarHBondContact O-N 3.27Å; D709-S713 VanDerWaalsContact O-N 3.1Å; M710-S713 WeakPolarHBondContact CE-OG 3.43Å; M710-S713 PolarHBondContact O-N 3.39Å; M710-S713 PolarHBondContact O-OG 3.11Å; M710-S713 PolarHBondContact SD-OG 3.32Å |
| 714 | N | 88.3 | Confident | 91.4 | Very high | 51 Ų | 51 | 46.4 Ų | 46.4 | 27% | 0.273 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -122.2 | 109 | 178.1 | -177.3 | 4.1 | 0 | 0 | 0 | 110.5 | M710 L712 K716 H717 | M710-N714 HydrophobicContact CE-CB 4.19Å; L712-N714 VanDerWaalsContact C-N 3.3Å; L712-N714 PolarHBondContact O-N 3.48Å; N714-K716 PolarHBondContact O-N 3.4Å; N714-K716 WeakPolarHBondContact OD1-CB 3.38Å; N714-K716 PolarHBondContact OD1-N 2.92Å; N714-H717 PolarHBondContact ND2-CD2 3.02Å; N714-H717 PolarHBondContact ND2-NE2 3.27Å; N714-H717 PolarHBondContact O-N 2.93Å |
| 715 | P | 85.6 | Confident | 91.4 | Very high | 101 Ų | 101 | 46.4 Ų | 46.4 | 66% | 0.656 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -60.2 | -24 | -175.3 | 24.8 | -34.4 | 0 | 0 | 0 | 113.3 | H717 E719 | P715-H717 VanDerWaalsContact C-N 3.29Å; P715-H717 PolarHBondContact O-N 3.01Å; P715-E719 WeakPolarHBondContact O-CB 3.46Å; P715-E719 PolarHBondContact O-N 3.48Å; P715-E719 VanDerWaalsContact O-N 3.12Å |
| 716 | K | 89.1 | Confident | 91.5 | Very high | 140 Ų | 140 | 49 Ų | 49 | 61% | 0.609 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.7 | -31.3 | 177.4 | -69 | -171.6 | 173.5 | -170.9 | 0 | 113.3 | N714 E719 V720 | N714-K716 PolarHBondContact O-N 3.4Å; N714-K716 WeakPolarHBondContact OD1-CB 3.38Å; N714-K716 PolarHBondContact OD1-N 2.92Å; K716-E719 PolarHBondContact O-N 2.62Å; K716-V720 WeakPolarHBondContact O-CB 3.27Å; K716-V720 VanDerWaalsContact O-CG2 3.29Å; K716-V720 WeakPolarHBondContact O-CG2 3.35Å; K716-V720 PolarHBondContact O-N 2.74Å |
| 717 | H | 91.8 | Very high | 91.6 | Very high | 23 Ų | 23 | 48.4 Ų | 48.4 | 11% | 0.106 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.4 | -47.7 | -177.9 | -62.3 | 171.4 | 0 | 0 | 0 | 110.7 | W675 L678 L711 N714 P715 V720 I721 | W675-H717 AromaticContact CD2-CE1 3.86Å; W675-H717 AromaticContact CE3-CE1 3.4Å; W675-H717 AromaticContact CE3-CG 3.87Å; W675-H717 AromaticContact CE3-ND1 3.32Å; W675-H717 VanDerWaalsContact CE3-ND1 3.32Å; W675-H717 HydrophobicContact CZ3-CB 3.97Å; W675-H717 AromaticContact CZ3-CE1 3.9Å; W675-H717 AromaticContact CZ3-CG 3.73Å; W675-H717 AromaticContact CZ3-ND1 3.3Å; W675-H717 VanDerWaalsContact CZ3-ND1 3.3Å; W675-H717 WeakPolarHBondContact CZ3-ND1 3.5Å; L678-H717 HydrophobicContact CD2-CB 4.2Å; L711-H717 HydrophobicContact CD1-CB 3.84Å; N714-H717 PolarHBondContact ND2-CD2 3.02Å; N714-H717 PolarHBondContact ND2-NE2 3.27Å; N714-H717 PolarHBondContact O-N 2.93Å; P715-H717 VanDerWaalsContact C-N 3.29Å; P715-H717 PolarHBondContact O-N 3.01Å; H717-V720 PolarHBondContact O-N 2.97Å; H717-I721 WeakPolarHBondContact O-CG1 3.47Å; H717-I721 PolarHBondContact O-N 3.35Å |
| 718 | L | 90.8 | Very high | 91.7 | Very high | 13 Ų | 13 | 46.2 Ų | 46.2 | 7% | 0.068 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.1 | -38 | 176.7 | -173.9 | 62.1 | 0 | 0 | 0 | 112.1 | V720 I721 Y722 I748 I757 C760 F764 | L718-V720 VanDerWaalsContact C-N 3.34Å; L718-V720 PolarHBondContact O-N 2.78Å; L718-I721 PolarHBondContact O-N 3.31Å; L718-Y722 WeakPolarHBondContact O-CB 3.39Å; L718-Y722 PolarHBondContact O-N 3.39Å; L718-I748 HydrophobicContact CD1-CD1 4.2Å; L718-I748 HydrophobicContact CD1-CG2 3.75Å; L718-I757 HydrophobicContact CD2-CG2 4.2Å; L718-C760 HydrophobicContact CD2-CB 4.43Å; L718-F764 HydrophobicContact CD1-CZ 4.37Å |
| 719 | E | 92.3 | Very high | 91.8 | Very high | 127 Ų | 127 | 45.9 Ų | 45.9 | 59% | 0.593 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -59.6 | -43.9 | 175.8 | -176.5 | -178.6 | -178.3 | 0 | 0 | 112 | P715 K716 Y722 S723 | P715-E719 WeakPolarHBondContact O-CB 3.46Å; P715-E719 PolarHBondContact O-N 3.48Å; P715-E719 VanDerWaalsContact O-N 3.12Å; K716-E719 PolarHBondContact O-N 2.62Å; E719-Y722 PolarHBondContact O-N 2.95Å; E719-S723 VanDerWaalsContact O-CB 3.31Å; E719-S723 WeakPolarHBondContact O-CB 3.47Å; E719-S723 PolarHBondContact O-N 2.91Å |
| 720 | V | 93.9 | Very high | 91.7 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 15% | 0.152 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -50.9 | 177.7 | 158.7 | 0 | 0 | 0 | 0 | 111.2 | L678 Y682 K716 H717 L718 Y722 S723 M724 | L678-V720 HydrophobicContact CD1-CG1 4.25Å; L678-V720 HydrophobicContact CG-CG1 4.19Å; Y682-V720 HydrophobicContact CD1-CG2 4.22Å; Y682-V720 HydrophobicContact CD2-CB 4.41Å; Y682-V720 HydrophobicContact CD2-CG1 3.75Å; Y682-V720 HydrophobicContact CD2-CG2 4.49Å; Y682-V720 HydrophobicContact CG-CB 4.43Å; Y682-V720 HydrophobicContact CG-CG1 3.71Å; Y682-V720 HydrophobicContact CG-CG2 4.14Å; K716-V720 WeakPolarHBondContact O-CB 3.27Å; K716-V720 VanDerWaalsContact O-CG2 3.29Å; K716-V720 WeakPolarHBondContact O-CG2 3.35Å; K716-V720 PolarHBondContact O-N 2.74Å; H717-V720 PolarHBondContact O-N 2.97Å; L718-V720 VanDerWaalsContact C-N 3.34Å; L718-V720 PolarHBondContact O-N 2.78Å; V720-Y722 PolarHBondContact O-N 3.45Å; V720-S723 PolarHBondContact O-N 2.87Å; V720-M724 HydrophobicContact CG1-CE 3.69Å; V720-M724 WeakPolarHBondContact O-CG 3.48Å; V720-M724 PolarHBondContact O-N 3Å; V720-M724 VanDerWaalsContact O-N 3.12Å |
| 721 | I | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -46.4 | 179.4 | -61.6 | 175.2 | 0 | 0 | 0 | 110.6 | L678 L700 V704 L711 H717 L718 S723 M724 C725 L744 I748 | L678-I721 HydrophobicContact CD1-CG1 4.25Å; L700-I721 HydrophobicContact CD2-CG1 4.34Å; V704-I721 HydrophobicContact CG2-CD1 4.14Å; L711-I721 HydrophobicContact CD1-CD1 3.91Å; H717-I721 WeakPolarHBondContact O-CG1 3.47Å; H717-I721 PolarHBondContact O-N 3.35Å; L718-I721 PolarHBondContact O-N 3.31Å; I721-S723 VanDerWaalsContact C-N 3.33Å; I721-S723 PolarHBondContact O-N 2.9Å; I721-M724 HydrophobicContact CG1-CE 4.42Å; I721-M724 PolarHBondContact O-N 3.24Å; I721-M724 VanDerWaalsContact O-N 3.16Å; I721-C725 PolarHBondContact O-N 3.3Å; I721-C725 VanDerWaalsContact O-N 3.1Å; I721-L744 HydrophobicContact CG2-CD2 3.69Å; I721-L744 HydrophobicContact CG2-CG 4.25Å; I721-I748 HydrophobicContact CG2-CD1 3.93Å |
| 722 | Y | 94.7 | Very high | 90.5 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 176.1 | 170.2 | -111.8 | 0 | 0 | 0 | 112.5 | L718 E719 V720 M724 C725 K726 L745 L763 F764 A767 | L718-Y722 WeakPolarHBondContact O-CB 3.39Å; L718-Y722 PolarHBondContact O-N 3.39Å; E719-Y722 PolarHBondContact O-N 2.95Å; V720-Y722 PolarHBondContact O-N 3.45Å; Y722-M724 PolarHBondContact O-N 3.45Å; Y722-C725 PolarHBondContact O-N 2.94Å; Y722-K726 HydrophobicContact CE1-CD 4.06Å; Y722-K726 HydrophobicContact CE2-CB 4.34Å; Y722-K726 VanDerWaalsContact O-CB 3.32Å; Y722-K726 WeakPolarHBondContact O-CB 3.14Å; Y722-K726 PolarHBondContact O-N 2.98Å; Y722-L745 HydrophobicContact CD2-CD2 4.1Å; Y722-L763 HydrophobicContact CE1-CB 4.2Å; Y722-L763 HydrophobicContact CE1-CD1 4.42Å; Y722-L763 HydrophobicContact CE2-CB 4.19Å; Y722-L763 PolarHBondContact OH-O 3.31Å; Y722-F764 AromaticContact CD2-CD1 3.31Å; Y722-F764 HydrophobicContact CD2-CD1 3.31Å; Y722-F764 AromaticContact CD2-CE1 3.28Å; Y722-F764 HydrophobicContact CD2-CE1 3.28Å; Y722-F764 HydrophobicContact CD2-CZ 4.49Å; Y722-F764 AromaticContact CE2-CD1 3.54Å; Y722-F764 HydrophobicContact CE2-CD1 3.54Å; Y722-F764 AromaticContact CE2-CE1 3.98Å; Y722-F764 HydrophobicContact CE2-CE1 3.98Å; Y722-F764 HydrophobicContact CG-CD1 4.17Å; Y722-F764 AromaticContact CG-CE1 3.72Å; Y722-F764 HydrophobicContact CG-CE1 3.72Å; Y722-A767 HydrophobicContact CE2-CB 4.47Å |
| 723 | S | 94.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 25% | 0.245 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -32.9 | 178.7 | -179.6 | 0 | 0 | 0 | 0 | 112 | Y682 E719 V720 I721 K727 | Y682-S723 PolarHBondContact OH-OG 2.63Å; E719-S723 VanDerWaalsContact O-CB 3.31Å; E719-S723 WeakPolarHBondContact O-CB 3.47Å; E719-S723 PolarHBondContact O-N 2.91Å; V720-S723 PolarHBondContact O-N 2.87Å; I721-S723 VanDerWaalsContact C-N 3.33Å; I721-S723 PolarHBondContact O-N 2.9Å; S723-K727 WeakPolarHBondContact O-CB 3.28Å; S723-K727 PolarHBondContact O-N 3.17Å; S723-K727 VanDerWaalsContact O-N 3.16Å |
| 724 | M | 94.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.9 | -54.1 | 174.1 | -64.8 | -173 | -82.5 | 0 | 0 | 110.7 | L678 Y682 F685 F693 L700 V720 I721 Y722 K726 K727 V728 | L678-M724 HydrophobicContact CD1-CE 4.26Å; Y682-M724 HydrophobicContact CD2-CE 4.49Å; Y682-M724 HydrophobicContact CD2-CG 3.65Å; Y682-M724 HydrophobicContact CD2-SD 4.07Å; Y682-M724 HydrophobicContact CE2-CG 4.07Å; F685-M724 HydrophobicContact CB-SD 4.18Å; F685-M724 HydrophobicContact CD1-CB 4.11Å; F685-M724 HydrophobicContact CD1-CG 3.56Å; F685-M724 HydrophobicContact CD1-SD 4.04Å; F685-M724 HydrophobicContact CE1-CB 3.8Å; F685-M724 HydrophobicContact CE1-CG 3.77Å; F685-M724 HydrophobicContact CG-CG 4.15Å; F685-M724 HydrophobicContact CG-SD 4.01Å; F685-M724 HydrophobicContact CZ-CB 4.23Å; F693-M724 HydrophobicContact CE2-CB 4.12Å; L700-M724 HydrophobicContact CD1-CE 4.29Å; L700-M724 HydrophobicContact CD2-CE 3.74Å; V720-M724 HydrophobicContact CG1-CE 3.69Å; V720-M724 WeakPolarHBondContact O-CG 3.48Å; V720-M724 PolarHBondContact O-N 3Å; V720-M724 VanDerWaalsContact O-N 3.12Å; I721-M724 HydrophobicContact CG1-CE 4.42Å; I721-M724 PolarHBondContact O-N 3.24Å; I721-M724 VanDerWaalsContact O-N 3.16Å; Y722-M724 PolarHBondContact O-N 3.45Å; M724-K726 VanDerWaalsContact C-N 3.29Å; M724-K726 PolarHBondContact O-N 3.02Å; M724-K727 WeakPolarHBondContact O-CB 3.34Å; M724-K727 PolarHBondContact O-N 2.88Å; M724-V728 WeakPolarHBondContact O-CG2 3.47Å; M724-V728 PolarHBondContact O-N 2.94Å |
| 725 | C | 95 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -53.8 | -45 | 176.4 | -64.7 | 0 | 0 | 0 | 0 | 112.2 | I721 Y722 K727 V728 L729 A741 L745 | I721-C725 PolarHBondContact O-N 3.3Å; I721-C725 VanDerWaalsContact O-N 3.1Å; Y722-C725 PolarHBondContact O-N 2.94Å; C725-K727 VanDerWaalsContact C-N 3.33Å; C725-K727 PolarHBondContact O-N 3.31Å; C725-V728 PolarHBondContact O-N 3.28Å; C725-L729 WeakPolarHBondContact O-CB 3.33Å; C725-L729 VanDerWaalsContact O-CG 3.3Å; C725-L729 WeakPolarHBondContact O-CG 3.44Å; C725-L729 PolarHBondContact O-N 3.03Å; C725-A741 HydrophobicContact CB-CB 4.23Å; C725-L745 HydrophobicContact CB-CD1 4.27Å; C725-L745 HydrophobicContact CB-CD2 3.92Å; C725-L745 HydrophobicContact CB-CG 4.03Å |
| 726 | K | 94.3 | Very high | 89.7 | Confident | 81 Ų | 81 | 47.2 Ų | 47.2 | 35% | 0.352 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 178.7 | -174.9 | 177.8 | -171 | 160.5 | 0 | 111.8 | Y722 M724 T730 | Y722-K726 HydrophobicContact CE1-CD 4.06Å; Y722-K726 HydrophobicContact CE2-CB 4.34Å; Y722-K726 VanDerWaalsContact O-CB 3.32Å; Y722-K726 WeakPolarHBondContact O-CB 3.14Å; Y722-K726 PolarHBondContact O-N 2.98Å; M724-K726 VanDerWaalsContact C-N 3.29Å; M724-K726 PolarHBondContact O-N 3.02Å; K726-T730 HydrophobicContact CG-CG2 4.42Å; K726-T730 WeakPolarHBondContact O-CB 3.35Å; K726-T730 WeakPolarHBondContact O-CG2 3.38Å; K726-T730 PolarHBondContact O-N 3.39Å; K726-T730 PolarHBondContact O-OG1 3.45Å |
| 727 | K | 92.8 | Very high | 89.7 | Confident | 36 Ų | 36 | 41 Ų | 41 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65 | -45.4 | 178.7 | -169.8 | 179.9 | 176 | -176 | 0 | 110.9 | F685 Q686 F690 S723 M724 C725 T730 L731 | F685-K727 HydrophobicContact CE1-CB 4.24Å; F685-K727 HydrophobicContact CE1-CD 3.87Å; Q686-K727 PolarHBondContact O-NZ 3.38Å; F690-K727 HydrophobicContact CD2-CD 4.15Å; F690-K727 HydrophobicContact CD2-CG 4.33Å; F690-K727 HydrophobicContact CE2-CB 4.47Å; F690-K727 HydrophobicContact CE2-CD 4.18Å; F690-K727 HydrophobicContact CE2-CG 3.84Å; S723-K727 WeakPolarHBondContact O-CB 3.28Å; S723-K727 PolarHBondContact O-N 3.17Å; S723-K727 VanDerWaalsContact O-N 3.16Å; M724-K727 WeakPolarHBondContact O-CB 3.34Å; M724-K727 PolarHBondContact O-N 2.88Å; C725-K727 VanDerWaalsContact C-N 3.33Å; C725-K727 PolarHBondContact O-N 3.31Å; K727-T730 WeakPolarHBondContact CA-OG1 2.95Å; K727-T730 PolarHBondContact O-N 3.39Å; K727-T730 VanDerWaalsContact O-N 3.16Å; K727-T730 PolarHBondContact O-OG1 2.91Å; K727-L731 HydrophobicContact CD-CD1 4.25Å; K727-L731 HydrophobicContact CG-CD1 3.59Å; K727-L731 HydrophobicContact CG-CG 4.41Å; K727-L731 PolarHBondContact O-N 3.22Å; K727-L731 VanDerWaalsContact O-N 3.09Å |
| 728 | V | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58 | -50.6 | 176.3 | 177 | 0 | 0 | 0 | 0 | 111.1 | F685 F690 F693 M724 C725 T730 A733 A737 E738 A741 | F685-V728 HydrophobicContact CE2-CG2 4.39Å; F685-V728 HydrophobicContact CZ-CG2 3.76Å; F690-V728 HydrophobicContact CE2-CG2 4.15Å; F693-V728 HydrophobicContact CB-CG2 4.08Å; F693-V728 HydrophobicContact CD1-CG1 4.36Å; F693-V728 HydrophobicContact CD1-CG2 4.03Å; F693-V728 HydrophobicContact CD2-CG2 3.56Å; F693-V728 HydrophobicContact CE1-CG2 4.42Å; F693-V728 HydrophobicContact CE2-CG2 3.96Å; F693-V728 HydrophobicContact CG-CG2 3.59Å; F693-V728 HydrophobicContact CZ-CG2 4.38Å; M724-V728 WeakPolarHBondContact O-CG2 3.47Å; M724-V728 PolarHBondContact O-N 2.94Å; C725-V728 PolarHBondContact O-N 3.28Å; V728-T730 PolarHBondContact O-N 3.01Å; V728-T730 VanDerWaalsContact O-N 3.09Å; V728-A733 HydrophobicContact CG1-CB 3.78Å; V728-A737 HydrophobicContact CG1-CB 3.97Å; V728-A737 WeakPolarHBondContact CG1-O 3.44Å; V728-E738 HydrophobicContact CG1-CG 4.16Å; V728-A741 HydrophobicContact CB-CB 4.03Å; V728-A741 HydrophobicContact CG1-CB 3.88Å |
| 729 | L | 90.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.2 | -9.6 | 179.6 | -67.5 | 169.9 | 0 | 0 | 0 | 114.3 | C725 E738 A741 L745 A767 V768 R771 | C725-L729 WeakPolarHBondContact O-CB 3.33Å; C725-L729 VanDerWaalsContact O-CG 3.3Å; C725-L729 WeakPolarHBondContact O-CG 3.44Å; C725-L729 PolarHBondContact O-N 3.03Å; L729-E738 HydrophobicContact CD2-CB 4.23Å; L729-A741 HydrophobicContact CD2-CB 4.35Å; L729-A741 HydrophobicContact CG-CB 4.1Å; L729-L745 HydrophobicContact CD1-CD1 3.96Å; L729-A767 HydrophobicContact CD1-CB 4.27Å; L729-V768 HydrophobicContact CD1-CG1 4.09Å; L729-R771 HydrophobicContact CD2-CB 4.5Å; L729-R771 HydrophobicContact CD2-CG 4.24Å; L729-R771 WeakPolarHBondContact O-CD 3.24Å |
| 730 | T | 88.9 | Confident | 89.9 | Confident | 41 Ų | 41 | 34 Ų | 34 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -111.2 | -25.4 | -176.8 | 52.1 | 0 | 0 | 0 | 0 | 114.8 | K726 K727 V728 R774 | K726-T730 HydrophobicContact CG-CG2 4.42Å; K726-T730 WeakPolarHBondContact O-CB 3.35Å; K726-T730 WeakPolarHBondContact O-CG2 3.38Å; K726-T730 PolarHBondContact O-N 3.39Å; K726-T730 PolarHBondContact O-OG1 3.45Å; K727-T730 WeakPolarHBondContact CA-OG1 2.95Å; K727-T730 PolarHBondContact O-N 3.39Å; K727-T730 VanDerWaalsContact O-N 3.16Å; K727-T730 PolarHBondContact O-OG1 2.91Å; V728-T730 PolarHBondContact O-N 3.01Å; V728-T730 VanDerWaalsContact O-N 3.09Å; T730-R774 PolarHBondContact O-NH1 3.28Å |
| 731 | L | 82.9 | Confident | 89.9 | Confident | 106 Ų | 106 | 32.9 Ų | 32.9 | 56% | 0.555 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -103.8 | 10.5 | -172.2 | -71.3 | 177.1 | 0 | 0 | 0 | 115.2 | F690 K727 | F690-L731 HydrophobicContact CE2-CD1 4.47Å; F690-L731 HydrophobicContact CZ-CB 3.88Å; F690-L731 HydrophobicContact CZ-CD1 4.45Å; K727-L731 HydrophobicContact CD-CD1 4.25Å; K727-L731 HydrophobicContact CG-CD1 3.59Å; K727-L731 HydrophobicContact CG-CG 4.41Å; K727-L731 PolarHBondContact O-N 3.22Å; K727-L731 VanDerWaalsContact O-N 3.09Å |
| 732 | D | 74.1 | Confident | 89.9 | Confident | 127 Ų | 127 | 32.9 Ų | 32.9 | 68% | 0.679 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 61.1 | 179.1 | -161.7 | 15.7 | 0 | 0 | 0 | 112.1 | G734 | D732-G734 PolarHBondContact O-N 2.88Š|
| 733 | A | 77.3 | Confident | 89.9 | Confident | 30 Ų | 30 | 31.8 Ų | 31.8 | 25% | 0.248 | 18% | 0.181 | C | C | . | . | trans | -75 | -3.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | F690 V728 A737 | F690-A733 HydrophobicContact CE1-CB 3.72Å; F690-A733 HydrophobicContact CZ-CB 3.65Å; V728-A733 HydrophobicContact CG1-CB 3.78Å; A733-A737 HydrophobicContact CB-CB 4.01Å | ||
| 734 | G | 84.3 | Confident | 90 | Very high | 32 Ų | 32 | 30.1 Ų | 30.1 | 33% | 0.33 | 17% | 0.169 | S | C | . | . | trans | 100.8 | 147.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D732 D736 A737 E738 | D732-G734 PolarHBondContact O-N 2.88Å; G734-D736 PolarHBondContact O-N 3.48Å; G734-A737 PolarHBondContact O-N 2.71Å; G734-E738 WeakPolarHBondContact O-CG 3.32Å; G734-E738 PolarHBondContact O-N 2.9Å | ||
| 735 | D | 85.4 | Confident | 90 | Very high | 60 Ų | 60 | 30.1 Ų | 30.1 | 32% | 0.321 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -56.9 | -35.4 | -173.2 | -78.1 | -8.3 | 0 | 0 | 0 | 112.2 | C739 R771 S778 | D735-C739 PolarHBondContact O-N 3.5Å; D735-C739 PolarHBondContact O-SG 3.38Å; D735-R771 IonicContact OD1-NH2 3.34Å; D735-S778 VanDerWaalsContact OD2-CB 3.28Å; D735-S778 WeakPolarHBondContact OD2-CB 3.22Å |
| 736 | D | 88.7 | Confident | 90.1 | Very high | 90 Ų | 90 | 30.2 Ų | 30.2 | 48% | 0.481 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -66.2 | -53.8 | -179.4 | -177.7 | 64.6 | 0 | 0 | 0 | 113.3 | T694 G734 E738 C739 H740 | T694-D736 WeakPolarHBondContact CG2-OD2 3.04Å; T694-D736 PolarHBondContact OG1-OD2 2.98Å; G734-D736 PolarHBondContact O-N 3.48Å; D736-E738 VanDerWaalsContact C-N 3.26Å; D736-E738 PolarHBondContact O-N 2.91Å; D736-C739 WeakPolarHBondContact O-CB 3.27Å; D736-C739 PolarHBondContact O-N 3.33Å; D736-C739 VanDerWaalsContact O-N 3.13Å; D736-H740 PolarHBondContact O-N 3.36Å; D736-H740 VanDerWaalsContact O-N 3.08Å; D736-H740 PolarHBondContact O-ND1 3.47Å; D736-H740 IonicContact OD1-CE1 3.96Å; D736-H740 PolarHBondContact OD1-CE1 3.45Å; D736-H740 IonicContact OD1-ND1 2.97Å; D736-H740 IonicContact OD2-CE1 2.84Å; D736-H740 IonicContact OD2-ND1 3.51Å |
| 737 | A | 89.7 | Confident | 90.1 | Very high | 9 Ų | 9 | 26.3 Ų | 26.3 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.7 | -36.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F693 V728 A733 G734 H740 A741 | F693-A737 HydrophobicContact CB-CB 4.41Å; F693-A737 HydrophobicContact CD1-CB 4.41Å; V728-A737 HydrophobicContact CG1-CB 3.97Å; V728-A737 WeakPolarHBondContact CG1-O 3.44Å; A733-A737 HydrophobicContact CB-CB 4.01Å; G734-A737 PolarHBondContact O-N 2.71Å; A737-H740 PolarHBondContact O-N 3.29Å; A737-A741 WeakPolarHBondContact O-CB 3.42Å; A737-A741 PolarHBondContact O-N 2.77Å |
| 738 | E | 92.5 | Very high | 90.1 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.009 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -65.8 | -38.2 | 175.7 | -68.5 | -178 | 145.7 | 0 | 0 | 112.4 | V728 L729 G734 D736 A741 A742 R771 L781 | V728-E738 HydrophobicContact CG1-CG 4.16Å; L729-E738 HydrophobicContact CD2-CB 4.23Å; G734-E738 WeakPolarHBondContact O-CG 3.32Å; G734-E738 PolarHBondContact O-N 2.9Å; D736-E738 VanDerWaalsContact C-N 3.26Å; D736-E738 PolarHBondContact O-N 2.91Å; E738-A741 PolarHBondContact O-N 3.45Å; E738-A742 PolarHBondContact O-N 3.28Å; E738-R771 IonicContact OE1-CZ 2.83Å; E738-R771 IonicContact OE1-NE 2.91Å; E738-R771 PolarHBondContact OE1-NE 2.92Å; E738-R771 IonicContact OE1-NH2 2.76Å; E738-R771 IonicContact OE2-CZ 3.32Å; E738-R771 IonicContact OE2-NE 3.96Å; E738-R771 PolarHBondContact OE2-NE 3.2Å; E738-R771 IonicContact OE2-NH2 3.42Å; E738-R771 PolarHBondContact OE2-NH2 2.87Å; E738-L781 HydrophobicContact CB-CD1 3.67Å; E738-L781 HydrophobicContact CB-CD2 3.84Å; E738-L781 HydrophobicContact CB-CG 4.44Å; E738-L781 WeakPolarHBondContact OE2-CD2 3.43Å |
| 739 | C | 92.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.014 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.6 | -48.2 | 171.9 | -75.6 | 0 | 0 | 0 | 0 | 111.4 | D735 D736 A741 A742 K743 L781 M784 L952 | D735-C739 PolarHBondContact O-N 3.5Å; D735-C739 PolarHBondContact O-SG 3.38Å; D736-C739 WeakPolarHBondContact O-CB 3.27Å; D736-C739 PolarHBondContact O-N 3.33Å; D736-C739 VanDerWaalsContact O-N 3.13Å; C739-A741 VanDerWaalsContact C-N 3.32Å; C739-A741 PolarHBondContact O-N 3.44Å; C739-A742 PolarHBondContact O-N 3.16Å; C739-K743 WeakPolarHBondContact O-CB 3.47Å; C739-K743 PolarHBondContact O-N 3.14Å; C739-L781 WeakPolarHBondContact SG-CA 3.47Å; C739-M784 HydrophobicContact CB-CG 4.27Å; C739-L952 HydrophobicContact CB-CD1 3.96Å |
| 740 | H | 93.9 | Very high | 90.3 | Very high | 13 Ų | 13 | 25 Ų | 25 | 6% | 0.06 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61 | -40.1 | 177.2 | -70.6 | 84.1 | 0 | 0 | 0 | 111.9 | F693 M697 D736 A737 K743 L744 Y955 | F693-H740 HydrophobicContact CD1-CB 4.29Å; F693-H740 HydrophobicContact CE1-CB 4.03Å; M697-H740 HydrophobicContact CB-CB 4.4Å; M697-H740 HydrophobicContact CG-CB 4.27Å; D736-H740 PolarHBondContact O-N 3.36Å; D736-H740 VanDerWaalsContact O-N 3.08Å; D736-H740 PolarHBondContact O-ND1 3.47Å; D736-H740 IonicContact OD1-CE1 3.96Å; D736-H740 PolarHBondContact OD1-CE1 3.45Å; D736-H740 IonicContact OD1-ND1 2.97Å; D736-H740 IonicContact OD2-CE1 2.84Å; D736-H740 IonicContact OD2-ND1 3.51Å; A737-H740 PolarHBondContact O-N 3.29Å; H740-K743 PolarHBondContact O-N 3.08Å; H740-L744 PolarHBondContact O-N 3.22Å; H740-Y955 AromaticContact CD2-CE2 3.75Å; H740-Y955 AromaticContact NE2-CE2 3.98Å |
| 741 | A | 94.7 | Very high | 90.4 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | F693 C725 V728 L729 A737 E738 C739 L744 L745 | F693-A741 HydrophobicContact CE1-CB 3.68Å; F693-A741 HydrophobicContact CZ-CB 3.92Å; C725-A741 HydrophobicContact CB-CB 4.23Å; V728-A741 HydrophobicContact CB-CB 4.03Å; V728-A741 HydrophobicContact CG1-CB 3.88Å; L729-A741 HydrophobicContact CD2-CB 4.35Å; L729-A741 HydrophobicContact CG-CB 4.1Å; A737-A741 WeakPolarHBondContact O-CB 3.42Å; A737-A741 PolarHBondContact O-N 2.77Å; E738-A741 PolarHBondContact O-N 3.45Å; C739-A741 VanDerWaalsContact C-N 3.32Å; C739-A741 PolarHBondContact O-N 3.44Å; A741-L744 PolarHBondContact O-N 3.1Å; A741-L745 WeakPolarHBondContact O-CG 3.32Å; A741-L745 PolarHBondContact O-N 3Å |
| 742 | A | 94.3 | Very high | 90.7 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64 | -44.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | E738 C739 L744 L745 E746 M784 V788 | E738-A742 PolarHBondContact O-N 3.28Å; C739-A742 PolarHBondContact O-N 3.16Å; A742-L744 VanDerWaalsContact C-N 3.32Å; A742-L744 PolarHBondContact O-N 2.98Å; A742-L745 PolarHBondContact O-N 3.13Å; A742-E746 PolarHBondContact O-N 3.26Å; A742-M784 HydrophobicContact CB-CB 3.91Å; A742-V788 HydrophobicContact CB-CG2 4.17Å; A742-V788 WeakPolarHBondContact O-CG2 3.35Å |
| 743 | K | 94.5 | Very high | 91.4 | Very high | 2 Ų | 2 | 18.5 Ų | 18.5 | 1% | 0.009 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 176.9 | -175.6 | 60.7 | 179.9 | 178 | 0 | 112.1 | M697 C739 H740 L745 E746 V747 H835 L952 Y955 | M697-K743 HydrophobicContact CE-CB 4.5Å; M697-K743 HydrophobicContact CE-CG 4.32Å; C739-K743 WeakPolarHBondContact O-CB 3.47Å; C739-K743 PolarHBondContact O-N 3.14Å; H740-K743 PolarHBondContact O-N 3.08Å; K743-L745 PolarHBondContact O-N 3.09Å; K743-E746 WeakPolarHBondContact CD-OE2 3.5Å; K743-E746 IonicContact NZ-OE2 3.51Å; K743-E746 PolarHBondContact NZ-OE2 3.01Å; K743-E746 WeakPolarHBondContact O-CB 3.37Å; K743-E746 PolarHBondContact O-N 3.17Å; K743-V747 HydrophobicContact CG-CG2 4.5Å; K743-V747 VanDerWaalsContact O-CG2 3.27Å; K743-V747 WeakPolarHBondContact O-CG2 3.29Å; K743-V747 PolarHBondContact O-N 3.35Å; K743-H835 PolarHBondContact NZ-CD2 3Å; K743-H835 PolarHBondContact NZ-NE2 3.14Å; K743-H835 VanDerWaalsContact NZ-NE2 3.11Å; K743-L952 HydrophobicContact CB-CD2 4.34Å; K743-L952 HydrophobicContact CG-CB 4.44Å; K743-L952 HydrophobicContact CG-CD2 4.43Å; K743-Y955 HydrophobicContact CG-CD2 4.4Å |
| 744 | L | 95.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 177.1 | -170.9 | 53.4 | 0 | 0 | 0 | 112.6 | F693 M697 L700 V704 I721 H740 A741 A742 E746 V747 I748 | F693-L744 HydrophobicContact CZ-CD2 4.48Å; M697-L744 HydrophobicContact CE-CB 3.79Å; M697-L744 HydrophobicContact CE-CD1 3.96Å; M697-L744 HydrophobicContact CE-CG 4.38Å; M697-L744 HydrophobicContact SD-CB 3.65Å; M697-L744 HydrophobicContact SD-CD1 3.89Å; M697-L744 HydrophobicContact SD-CD2 3.92Å; M697-L744 HydrophobicContact SD-CG 4.01Å; L700-L744 HydrophobicContact CB-CD1 4.44Å; L700-L744 HydrophobicContact CB-CD2 3.71Å; L700-L744 HydrophobicContact CD1-CD2 3.82Å; L700-L744 HydrophobicContact CG-CD2 4.41Å; V704-L744 HydrophobicContact CG2-CD1 4.32Å; I721-L744 HydrophobicContact CG2-CD2 3.69Å; I721-L744 HydrophobicContact CG2-CG 4.25Å; H740-L744 PolarHBondContact O-N 3.22Å; A741-L744 PolarHBondContact O-N 3.1Å; A742-L744 VanDerWaalsContact C-N 3.32Å; A742-L744 PolarHBondContact O-N 2.98Å; L744-E746 VanDerWaalsContact C-N 3.32Å; L744-E746 PolarHBondContact O-N 3.31Å; L744-V747 PolarHBondContact O-N 3.32Å; L744-I748 HydrophobicContact CG-CD1 4.28Å; L744-I748 VanDerWaalsContact O-CG1 3.26Å; L744-I748 WeakPolarHBondContact O-CG1 3.44Å; L744-I748 PolarHBondContact O-N 2.65Å |
| 745 | L | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.6 | -40.4 | 175.1 | -66.2 | 178 | 0 | 0 | 0 | 111.4 | Y722 C725 L729 A741 A742 K743 I748 I749 F764 V768 V788 | Y722-L745 HydrophobicContact CD2-CD2 4.1Å; C725-L745 HydrophobicContact CB-CD1 4.27Å; C725-L745 HydrophobicContact CB-CD2 3.92Å; C725-L745 HydrophobicContact CB-CG 4.03Å; L729-L745 HydrophobicContact CD1-CD1 3.96Å; A741-L745 WeakPolarHBondContact O-CG 3.32Å; A741-L745 PolarHBondContact O-N 3Å; A742-L745 PolarHBondContact O-N 3.13Å; K743-L745 PolarHBondContact O-N 3.09Å; L745-I748 PolarHBondContact O-N 3.34Å; L745-I749 VanDerWaalsContact O-CG1 3.26Å; L745-I749 WeakPolarHBondContact O-CG1 3.5Å; L745-I749 PolarHBondContact O-N 3.14Å; L745-I749 VanDerWaalsContact O-N 3.15Å; L745-F764 HydrophobicContact CD2-CD1 3.89Å; L745-F764 HydrophobicContact CD2-CD2 4.15Å; L745-F764 HydrophobicContact CD2-CE1 4.05Å; L745-F764 HydrophobicContact CD2-CE2 4.29Å; L745-F764 HydrophobicContact CD2-CG 3.94Å; L745-F764 HydrophobicContact CD2-CZ 4.24Å; L745-V768 HydrophobicContact CD1-CG1 4.06Å; L745-V788 HydrophobicContact CB-CG1 4.17Å; L745-V788 HydrophobicContact CB-CG2 4.13Å |
| 746 | E | 95.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -60.3 | -50.7 | 173 | 177.3 | -175.4 | -137.9 | 0 | 0 | 111.4 | A742 K743 L744 I748 I749 L750 Q787 V788 A791 H835 | A742-E746 PolarHBondContact O-N 3.26Å; K743-E746 WeakPolarHBondContact CD-OE2 3.5Å; K743-E746 IonicContact NZ-OE2 3.51Å; K743-E746 PolarHBondContact NZ-OE2 3.01Å; K743-E746 WeakPolarHBondContact O-CB 3.37Å; K743-E746 PolarHBondContact O-N 3.17Å; L744-E746 VanDerWaalsContact C-N 3.32Å; L744-E746 PolarHBondContact O-N 3.31Å; E746-I748 VanDerWaalsContact C-N 3.27Å; E746-I748 PolarHBondContact O-N 2.88Å; E746-I749 PolarHBondContact O-N 3.28Å; E746-L750 HydrophobicContact CG-CD1 3.82Å; E746-L750 HydrophobicContact CG-CG 4.3Å; E746-L750 WeakPolarHBondContact O-CG 3.26Å; E746-L750 PolarHBondContact O-N 3.46Å; E746-Q787 PolarHBondContact OE2-OE1 2.8Å; E746-V788 HydrophobicContact CB-CG2 4.16Å; E746-A791 HydrophobicContact CG-CB 3.98Å; E746-H835 IonicContact OE1-NE2 2.71Å; E746-H835 PolarHBondContact OE1-NE2 3.23Å; E746-H835 IonicContact OE2-NE2 3.49Å; E746-H835 PolarHBondContact OE2-NE2 3.47Å |
| 747 | V | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54 | -45.8 | 179 | 171 | 0 | 0 | 0 | 0 | 110.4 | V704 T705 K743 L744 I749 L750 Q751 T957 | V704-V747 HydrophobicContact CG1-CG1 4.1Å; T705-V747 HydrophobicContact CG2-CG1 4.03Å; K743-V747 HydrophobicContact CG-CG2 4.5Å; K743-V747 VanDerWaalsContact O-CG2 3.27Å; K743-V747 WeakPolarHBondContact O-CG2 3.29Å; K743-V747 PolarHBondContact O-N 3.35Å; L744-V747 PolarHBondContact O-N 3.32Å; V747-I749 PolarHBondContact O-N 2.86Å; V747-L750 PolarHBondContact O-N 3.32Å; V747-Q751 WeakPolarHBondContact O-CB 3.28Å; V747-Q751 PolarHBondContact O-N 3.27Å; V747-T957 HydrophobicContact CG2-CG2 4.04Å |
| 748 | I | 94.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 177.9 | -67.9 | 164.7 | 0 | 0 | 0 | 111.3 | V704 L718 I721 L744 L745 E746 L750 C752 F764 | V704-I748 HydrophobicContact CB-CG1 4.46Å; V704-I748 HydrophobicContact CG1-CB 4.49Å; V704-I748 HydrophobicContact CG1-CG1 3.86Å; V704-I748 HydrophobicContact CG2-CD1 4.31Å; V704-I748 HydrophobicContact CG2-CG1 3.72Å; L718-I748 HydrophobicContact CD1-CD1 4.2Å; L718-I748 HydrophobicContact CD1-CG2 3.75Å; I721-I748 HydrophobicContact CG2-CD1 3.93Å; L744-I748 HydrophobicContact CG-CD1 4.28Å; L744-I748 VanDerWaalsContact O-CG1 3.26Å; L744-I748 WeakPolarHBondContact O-CG1 3.44Å; L744-I748 PolarHBondContact O-N 2.65Å; L745-I748 PolarHBondContact O-N 3.34Å; E746-I748 VanDerWaalsContact C-N 3.27Å; E746-I748 PolarHBondContact O-N 2.88Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 3.43Å; I748-C752 VanDerWaalsContact O-CB 3.23Å; I748-C752 WeakPolarHBondContact O-CB 3.39Å; I748-C752 PolarHBondContact O-N 3.34Å; I748-C752 PolarHBondContact O-SG 2.67Å; I748-F764 HydrophobicContact CB-CE2 4.25Å; I748-F764 HydrophobicContact CG2-CE2 3.7Å; I748-F764 HydrophobicContact CG2-CZ 4.11Å |
| 749 | I | 94.1 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.7 | -45.5 | -179.8 | -66.4 | 166.6 | 0 | 0 | 0 | 110.6 | L745 E746 V747 R753 I761 F764 V788 A791 A792 Y795 | L745-I749 VanDerWaalsContact O-CG1 3.26Å; L745-I749 WeakPolarHBondContact O-CG1 3.5Å; L745-I749 PolarHBondContact O-N 3.14Å; L745-I749 VanDerWaalsContact O-N 3.15Å; E746-I749 PolarHBondContact O-N 3.28Å; V747-I749 PolarHBondContact O-N 2.86Å; I749-R753 PolarHBondContact O-N 2.68Å; I749-I761 HydrophobicContact CB-CD1 4.47Å; I749-I761 HydrophobicContact CD1-CD1 4.46Å; I749-I761 HydrophobicContact CG1-CD1 3.81Å; I749-I761 HydrophobicContact CG2-CD1 4.14Å; I749-F764 HydrophobicContact CD1-CD2 4.07Å; I749-F764 HydrophobicContact CG1-CD2 3.82Å; I749-F764 HydrophobicContact CG1-CE2 4.32Å; I749-V788 HydrophobicContact CD1-CG1 3.91Å; I749-A791 HydrophobicContact CB-CB 4.23Å; I749-A791 HydrophobicContact CD1-CB 4.32Å; I749-A791 HydrophobicContact CG2-CB 3.93Å; I749-A791 WeakPolarHBondContact CG2-O 3.29Å; I749-A792 HydrophobicContact CD1-CB 4.47Å; I749-Y795 HydrophobicContact CG2-CD2 4.12Å; I749-Y795 HydrophobicContact CG2-CG 4.26Å |
| 750 | L | 92.3 | Very high | 91.2 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -73 | -44.6 | -176.6 | -65.1 | 178.5 | 0 | 0 | 0 | 112.2 | E746 V747 I748 C752 R753 A791 Y794 M839 T957 L959 | E746-L750 HydrophobicContact CG-CD1 3.82Å; E746-L750 HydrophobicContact CG-CG 4.3Å; E746-L750 WeakPolarHBondContact O-CG 3.26Å; E746-L750 PolarHBondContact O-N 3.46Å; V747-L750 PolarHBondContact O-N 3.32Å; I748-L750 VanDerWaalsContact C-N 3.34Å; I748-L750 PolarHBondContact O-N 3.43Å; L750-C752 PolarHBondContact O-N 3.46Å; L750-R753 WeakPolarHBondContact O-CB 3.31Å; L750-R753 PolarHBondContact O-N 2.99Å; L750-A791 HydrophobicContact CD2-CB 4.08Å; L750-A791 HydrophobicContact CG-CB 4.24Å; L750-Y794 HydrophobicContact CD2-CD1 3.8Å; L750-Y794 HydrophobicContact CD2-CE1 4.21Å; L750-M839 HydrophobicContact CD1-CE 4.05Å; L750-M839 HydrophobicContact CD1-SD 4Å; L750-M839 HydrophobicContact CD2-CE 3.94Å; L750-M839 HydrophobicContact CD2-SD 4.31Å; L750-M839 HydrophobicContact CG-CE 4.49Å; L750-T957 HydrophobicContact CD1-CG2 3.92Å; L750-L959 HydrophobicContact CD1-CD1 4.05Å; L750-L959 HydrophobicContact CD2-CD1 3.87Å |
| 751 | Q | 91.6 | Very high | 91.1 | Very high | 33 Ų | 33 | 32.6 Ų | 32.6 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.5 | -40.2 | 178.8 | -174.5 | 67 | 8.5 | 0 | 0 | 112.1 | V704 T705 T708 V747 R753 | V704-Q751 HydrophobicContact CG1-CB 4.09Å; V704-Q751 HydrophobicContact CG1-CG 4.12Å; T705-Q751 PolarHBondContact O-NE2 3.48Å; T708-Q751 HydrophobicContact CG2-CG 4.15Å; T708-Q751 PolarHBondContact OG1-NE2 3.03Å; T708-Q751 VanDerWaalsContact OG1-NE2 3.08Å; V747-Q751 WeakPolarHBondContact O-CB 3.28Å; V747-Q751 PolarHBondContact O-N 3.27Å; Q751-R753 VanDerWaalsContact C-N 3.31Å; Q751-R753 PolarHBondContact O-N 3.01Å |
| 752 | C | 89.6 | Confident | 91 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91 | 14.6 | -177.2 | -60.9 | 0 | 0 | 0 | 0 | 113.6 | I748 L750 G754 R755 I757 | I748-C752 VanDerWaalsContact O-CB 3.23Å; I748-C752 WeakPolarHBondContact O-CB 3.39Å; I748-C752 PolarHBondContact O-N 3.34Å; I748-C752 PolarHBondContact O-SG 2.67Å; L750-C752 PolarHBondContact O-N 3.46Å; C752-G754 PolarHBondContact O-N 2.93Å; C752-G754 VanDerWaalsContact O-N 3.13Å; C752-R755 WeakPolarHBondContact O-CB 3.37Å; C752-R755 PolarHBondContact O-N 3.48Å; C752-I757 HydrophobicContact CB-CD1 3.6Å; C752-I757 HydrophobicContact CB-CG1 3.96Å; C752-I757 HydrophobicContact CB-CG2 3.93Å |
| 753 | R | 88.3 | Confident | 90.9 | Very high | 105 Ų | 105 | 37.6 Ų | 37.6 | 40% | 0.396 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 119.6 | -177.3 | -168.4 | -177.9 | -175.8 | -149.7 | 8.7 | 111.8 | I749 L750 Q751 R755 Y794 Y795 E965 | I749-R753 PolarHBondContact O-N 2.68Å; L750-R753 WeakPolarHBondContact O-CB 3.31Å; L750-R753 PolarHBondContact O-N 2.99Å; Q751-R753 VanDerWaalsContact C-N 3.31Å; Q751-R753 PolarHBondContact O-N 3.01Å; R753-R755 VanDerWaalsContact C-N 3.3Å; R753-R755 PolarHBondContact O-N 3.19Å; R753-Y794 VanDerWaalsContact CZ-CE1 3.49Å; R753-Y794 PolarHBondContact NE-O 3.33Å; R753-Y794 PolarHBondContact NH1-OH 3.35Å; R753-Y794 PolarHBondContact NH2-O 3.44Å; R753-Y795 HydrophobicContact CB-CD2 4.28Å; R753-Y795 HydrophobicContact CG-CD2 4.17Å; R753-E965 IonicContact NH1-OE1 2.9Å; R753-E965 PolarHBondContact NH1-OE1 3.27Å |
| 754 | G | 82.5 | Confident | 90.9 | Very high | 68 Ų | 68 | 37.6 Ų | 37.6 | 70% | 0.701 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.4 | 12.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | C752 | C752-G754 PolarHBondContact O-N 2.93Å; C752-G754 VanDerWaalsContact O-N 3.13Å |
| 755 | R | 85.8 | Confident | 90.7 | Very high | 123 Ų | 123 | 37.6 Ų | 37.6 | 46% | 0.464 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -104.8 | 16.4 | -179.2 | -56 | -168.9 | -179.6 | -139.9 | 5.3 | 114.6 | D709 L712 C752 R753 | D709-R755 IonicContact OD1-NH1 3.69Å; D709-R755 PolarHBondContact OD1-NH1 3.24Å; L712-R755 HydrophobicContact CD1-CB 3.59Å; L712-R755 HydrophobicContact CD1-CG 4.4Å; C752-R755 WeakPolarHBondContact O-CB 3.37Å; C752-R755 PolarHBondContact O-N 3.48Å; R753-R755 VanDerWaalsContact C-N 3.3Å; R753-R755 PolarHBondContact O-N 3.19Å |
| 756 | G | 82.6 | Confident | 90.5 | Very high | 51 Ų | 51 | 41 Ų | 41 | 53% | 0.526 | 22% | 0.222 | S | C | . | . | S | Bend | trans | 90.5 | 29.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | E758 | G756-E758 WeakPolarHBondContact CA-OE2 3.5Š|
| 757 | I | 87.8 | Confident | 90.3 | Very high | 6 Ų | 6 | 41.1 Ų | 41.1 | 3% | 0.031 | 22% | 0.223 | C | C | . | . | trans | -96.3 | 21.1 | 179.3 | 61 | 157 | 0 | 0 | 0 | 113.6 | L712 L718 C752 Q759 C760 I761 Y795 | L712-I757 HydrophobicContact CD2-CG2 3.57Å; L718-I757 HydrophobicContact CD2-CG2 4.2Å; C752-I757 HydrophobicContact CB-CD1 3.6Å; C752-I757 HydrophobicContact CB-CG1 3.96Å; C752-I757 HydrophobicContact CB-CG2 3.93Å; I757-Q759 PolarHBondContact O-N 3.03Å; I757-C760 WeakPolarHBondContact O-CB 3.47Å; I757-C760 PolarHBondContact O-N 2.92Å; I757-I761 HydrophobicContact CD1-CD1 3.81Å; I757-I761 HydrophobicContact CG1-CD1 4.27Å; I757-I761 PolarHBondContact O-N 3.12Å; I757-Y795 HydrophobicContact CD1-CE2 3.95Å; I757-Y795 HydrophobicContact CG1-CE2 3.59Å; I757-Y795 PolarHBondContact N-OH 3.34Å | ||
| 758 | E | 88.8 | Confident | 90.2 | Very high | 79 Ų | 79 | 41.1 Ų | 41.1 | 37% | 0.369 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.2 | -172.9 | -65.7 | 70.9 | -149.1 | 0 | 0 | 113.4 | G756 C760 P762 Y795 L799 | G756-E758 WeakPolarHBondContact CA-OE2 3.5Å; E758-C760 VanDerWaalsContact C-N 3.32Å; E758-P762 VanDerWaalsContact O-CD 3.24Å; E758-P762 WeakPolarHBondContact O-CD 3.4Å; E758-Y795 HydrophobicContact CG-CE1 4.21Å; E758-Y795 PolarHBondContact OE1-OH 3.37Å; E758-L799 HydrophobicContact CB-CD2 4.01Å; E758-L799 HydrophobicContact CG-CD2 4.37Å; E758-L799 WeakPolarHBondContact O-CD2 3.33Å |
| 759 | Q | 88.6 | Confident | 90 | Very high | 175 Ų | 175 | 41.4 Ų | 41.4 | 82% | 0.818 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -23.6 | 179.8 | -60.2 | 177.7 | 23.3 | 0 | 0 | 112.7 | I757 | I757-Q759 PolarHBondContact O-N 3.03Š|
| 760 | C | 89.8 | Confident | 89.7 | Confident | 32 Ų | 32 | 44.1 Ų | 44.1 | 22% | 0.216 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -30.3 | -178.5 | -59 | 0 | 0 | 0 | 0 | 112.1 | L718 I757 E758 L763 F764 | L718-C760 HydrophobicContact CD2-CB 4.43Å; I757-C760 WeakPolarHBondContact O-CB 3.47Å; I757-C760 PolarHBondContact O-N 2.92Å; E758-C760 VanDerWaalsContact C-N 3.32Å; C760-L763 WeakPolarHBondContact O-CB 3.38Å; C760-L763 PolarHBondContact O-N 3.3Å; C760-F764 HydrophobicContact CB-CE1 3.98Å; C760-F764 HydrophobicContact CB-CE2 4.32Å; C760-F764 HydrophobicContact CB-CZ 3.85Å; C760-F764 WeakPolarHBondContact O-CD1 3.48Å; C760-F764 WeakPolarHBondContact O-CG 3.33Å; C760-F764 PolarHBondContact O-N 3.44Å; C760-F764 VanDerWaalsContact O-N 3.08Å |
| 761 | I | 91.5 | Very high | 89.5 | Confident | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -53.1 | -47.5 | -177.8 | -56.1 | -59.5 | 0 | 0 | 0 | 112.5 | I749 I757 L763 F764 V765 A792 Y795 L799 | I749-I761 HydrophobicContact CB-CD1 4.47Å; I749-I761 HydrophobicContact CD1-CD1 4.46Å; I749-I761 HydrophobicContact CG1-CD1 3.81Å; I749-I761 HydrophobicContact CG2-CD1 4.14Å; I757-I761 HydrophobicContact CD1-CD1 3.81Å; I757-I761 HydrophobicContact CG1-CD1 4.27Å; I757-I761 PolarHBondContact O-N 3.12Å; I761-L763 VanDerWaalsContact C-N 3.28Å; I761-L763 PolarHBondContact O-N 3.43Å; I761-F764 PolarHBondContact O-N 2.91Å; I761-V765 HydrophobicContact CG2-CG2 4.36Å; I761-V765 WeakPolarHBondContact O-CG2 3.44Å; I761-V765 PolarHBondContact O-N 3Å; I761-V765 VanDerWaalsContact O-N 3.08Å; I761-A792 HydrophobicContact CG2-CB 3.74Å; I761-Y795 HydrophobicContact CD1-CD1 4.23Å; I761-Y795 HydrophobicContact CD1-CD2 4.4Å; I761-Y795 HydrophobicContact CD1-CG 4.21Å; I761-Y795 HydrophobicContact CG1-CD1 4.06Å; I761-Y795 HydrophobicContact CG1-CE1 4.21Å; I761-L799 HydrophobicContact CB-CD2 3.94Å; I761-L799 HydrophobicContact CG1-CD2 4.18Å; I761-L799 HydrophobicContact CG2-CD2 4.25Å |
| 762 | P | 92.2 | Very high | 89.2 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 23% | 0.227 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.7 | -38.1 | 177.8 | -25.2 | 36 | 0 | 0 | 0 | 113.4 | E758 E766 L799 T803 | E758-P762 VanDerWaalsContact O-CD 3.24Å; E758-P762 WeakPolarHBondContact O-CD 3.4Å; P762-E766 WeakPolarHBondContact O-CB 3.15Å; P762-E766 PolarHBondContact O-N 3.23Å; P762-L799 HydrophobicContact CG-CD1 4.4Å; P762-T803 HydrophobicContact CB-CG2 3.89Å |
| 763 | L | 92.4 | Very high | 88.8 | Confident | 71 Ų | 71 | 46.9 Ų | 46.9 | 37% | 0.372 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -69.1 | -34.4 | -178.9 | -61.6 | 176.5 | 0 | 0 | 0 | 112.4 | Y722 C760 I761 A767 | Y722-L763 HydrophobicContact CE1-CB 4.2Å; Y722-L763 HydrophobicContact CE1-CD1 4.42Å; Y722-L763 HydrophobicContact CE2-CB 4.19Å; Y722-L763 PolarHBondContact OH-O 3.31Å; C760-L763 WeakPolarHBondContact O-CB 3.38Å; C760-L763 PolarHBondContact O-N 3.3Å; I761-L763 VanDerWaalsContact C-N 3.28Å; I761-L763 PolarHBondContact O-N 3.43Å; L763-A767 PolarHBondContact O-N 3.1Å |
| 764 | F | 94.2 | Very high | 88.4 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -72.1 | -45.3 | 177.6 | -64.1 | -0.1 | 0 | 0 | 0 | 110.3 | L718 Y722 L745 I748 I749 C760 I761 E766 A767 V768 V788 | L718-F764 HydrophobicContact CD1-CZ 4.37Å; Y722-F764 AromaticContact CD2-CD1 3.31Å; Y722-F764 HydrophobicContact CD2-CD1 3.31Å; Y722-F764 AromaticContact CD2-CE1 3.28Å; Y722-F764 HydrophobicContact CD2-CE1 3.28Å; Y722-F764 HydrophobicContact CD2-CZ 4.49Å; Y722-F764 AromaticContact CE2-CD1 3.54Å; Y722-F764 HydrophobicContact CE2-CD1 3.54Å; Y722-F764 AromaticContact CE2-CE1 3.98Å; Y722-F764 HydrophobicContact CE2-CE1 3.98Å; Y722-F764 HydrophobicContact CG-CD1 4.17Å; Y722-F764 AromaticContact CG-CE1 3.72Å; Y722-F764 HydrophobicContact CG-CE1 3.72Å; L745-F764 HydrophobicContact CD2-CD1 3.89Å; L745-F764 HydrophobicContact CD2-CD2 4.15Å; L745-F764 HydrophobicContact CD2-CE1 4.05Å; L745-F764 HydrophobicContact CD2-CE2 4.29Å; L745-F764 HydrophobicContact CD2-CG 3.94Å; L745-F764 HydrophobicContact CD2-CZ 4.24Å; I748-F764 HydrophobicContact CB-CE2 4.25Å; I748-F764 HydrophobicContact CG2-CE2 3.7Å; I748-F764 HydrophobicContact CG2-CZ 4.11Å; I749-F764 HydrophobicContact CD1-CD2 4.07Å; I749-F764 HydrophobicContact CG1-CD2 3.82Å; I749-F764 HydrophobicContact CG1-CE2 4.32Å; C760-F764 HydrophobicContact CB-CE1 3.98Å; C760-F764 HydrophobicContact CB-CE2 4.32Å; C760-F764 HydrophobicContact CB-CZ 3.85Å; C760-F764 WeakPolarHBondContact O-CD1 3.48Å; C760-F764 WeakPolarHBondContact O-CG 3.33Å; C760-F764 PolarHBondContact O-N 3.44Å; C760-F764 VanDerWaalsContact O-N 3.08Å; I761-F764 PolarHBondContact O-N 2.91Å; F764-E766 VanDerWaalsContact C-N 3.32Å; F764-E766 PolarHBondContact O-N 3.27Å; F764-A767 PolarHBondContact O-N 2.86Å; F764-V768 PolarHBondContact O-N 3.41Å; F764-V788 HydrophobicContact CB-CG1 4.49Å |
| 765 | V | 93 | Very high | 88 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -40.8 | 176 | 172.8 | 0 | 0 | 0 | 0 | 111 | I761 V768 L769 A792 L800 T803 L804 M807 | I761-V765 HydrophobicContact CG2-CG2 4.36Å; I761-V765 WeakPolarHBondContact O-CG2 3.44Å; I761-V765 PolarHBondContact O-N 3Å; I761-V765 VanDerWaalsContact O-N 3.08Å; V765-V768 WeakPolarHBondContact O-CG2 3.43Å; V765-L769 HydrophobicContact CG1-CD1 3.55Å; V765-L769 HydrophobicContact CG1-CG 4.23Å; V765-L769 VanDerWaalsContact O-CB 3.31Å; V765-L769 WeakPolarHBondContact O-CB 3.29Å; V765-L769 VanDerWaalsContact O-CG 3.22Å; V765-L769 WeakPolarHBondContact O-CG 3.31Å; V765-L769 PolarHBondContact O-N 3.08Å; V765-L769 VanDerWaalsContact O-N 3.1Å; V765-A792 HydrophobicContact CG2-CB 3.75Å; V765-L800 HydrophobicContact CG1-CD1 4.14Å; V765-L800 HydrophobicContact CG2-CD1 3.96Å; V765-T803 HydrophobicContact CB-CG2 4.32Å; V765-T803 HydrophobicContact CG1-CG2 4.13Å; V765-L804 HydrophobicContact CG1-CD2 4.16Å; V765-M807 HydrophobicContact CG1-CE 4.41Å; V765-M807 HydrophobicContact CG1-SD 4.46Å |
| 766 | E | 91.3 | Very high | 87.6 | Confident | 72 Ų | 72 | 43.1 Ų | 43.1 | 34% | 0.336 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.9 | -48.3 | 177.3 | -164.8 | 169.3 | -174.9 | 0 | 0 | 111.6 | P762 F764 V768 L769 E770 M807 | P762-E766 WeakPolarHBondContact O-CB 3.15Å; P762-E766 PolarHBondContact O-N 3.23Å; F764-E766 VanDerWaalsContact C-N 3.32Å; F764-E766 PolarHBondContact O-N 3.27Å; E766-V768 PolarHBondContact O-N 3.02Å; E766-L769 PolarHBondContact O-N 3.1Å; E766-E770 WeakPolarHBondContact O-CB 3.24Å; E766-E770 WeakPolarHBondContact O-CG 3.28Å; E766-E770 PolarHBondContact O-N 3.24Å; E766-M807 VanDerWaalsContact CA-CE 3.41Å; E766-M807 HydrophobicContact CB-CE 3.34Å; E766-M807 HydrophobicContact CG-CE 3.74Å |
| 767 | A | 91.6 | Very high | 87.1 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -47.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y722 L729 L763 F764 R771 | Y722-A767 HydrophobicContact CE2-CB 4.47Å; L729-A767 HydrophobicContact CD1-CB 4.27Å; L763-A767 PolarHBondContact O-N 3.1Å; F764-A767 PolarHBondContact O-N 2.86Å; A767-R771 PolarHBondContact O-N 3.3Å; A767-R771 VanDerWaalsContact O-N 3.17Å |
| 768 | V | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.6 | -35.5 | -179.1 | -61.6 | 0 | 0 | 0 | 0 | 112.4 | L729 L745 F764 V765 E766 R771 L772 C785 V788 V789 | L729-V768 HydrophobicContact CD1-CG1 4.09Å; L745-V768 HydrophobicContact CD1-CG1 4.06Å; F764-V768 PolarHBondContact O-N 3.41Å; V765-V768 WeakPolarHBondContact O-CG2 3.43Å; E766-V768 PolarHBondContact O-N 3.02Å; V768-R771 PolarHBondContact O-N 3.23Å; V768-L772 WeakPolarHBondContact O-CB 3.46Å; V768-L772 PolarHBondContact O-N 3.39Å; V768-C785 HydrophobicContact CB-CB 4.23Å; V768-V788 HydrophobicContact CG1-CB 4Å; V768-V788 HydrophobicContact CG1-CG1 3.96Å; V768-V788 HydrophobicContact CG1-CG2 4.01Å; V768-V788 HydrophobicContact CG2-CB 4.12Å; V768-V788 HydrophobicContact CG2-CG1 4.02Å; V768-V789 HydrophobicContact CG2-CG2 3.88Å |
| 769 | L | 89.3 | Confident | 86.8 | Confident | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.7 | -39.9 | 176.8 | -70.8 | 177.9 | 0 | 0 | 0 | 111.6 | V765 E766 R771 L772 M773 V789 L804 M807 F809 I816 | V765-L769 HydrophobicContact CG1-CD1 3.55Å; V765-L769 HydrophobicContact CG1-CG 4.23Å; V765-L769 VanDerWaalsContact O-CB 3.31Å; V765-L769 WeakPolarHBondContact O-CB 3.29Å; V765-L769 VanDerWaalsContact O-CG 3.22Å; V765-L769 WeakPolarHBondContact O-CG 3.31Å; V765-L769 PolarHBondContact O-N 3.08Å; V765-L769 VanDerWaalsContact O-N 3.1Å; E766-L769 PolarHBondContact O-N 3.1Å; L769-R771 VanDerWaalsContact C-N 3.27Å; L769-R771 PolarHBondContact O-N 3.22Å; L769-L772 HydrophobicContact CD2-CD2 4.23Å; L769-L772 PolarHBondContact O-N 3.01Å; L769-M773 WeakPolarHBondContact O-CB 3.41Å; L769-M773 WeakPolarHBondContact O-CG 3.45Å; L769-M773 PolarHBondContact O-N 3.09Å; L769-V789 HydrophobicContact CD2-CG2 4.07Å; L769-V789 HydrophobicContact CG-CG2 4.25Å; L769-L804 HydrophobicContact CD1-CD2 3.62Å; L769-M807 HydrophobicContact CD1-SD 4.09Å; L769-F809 HydrophobicContact CB-CE2 4.42Å; L769-F809 HydrophobicContact CB-CZ 4.49Å; L769-I816 HydrophobicContact CD1-CG2 3.93Å |
| 770 | E | 88 | Confident | 86.8 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 27% | 0.266 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56.6 | -43.4 | 171.5 | -81.1 | -172.4 | 174.4 | 0 | 0 | 111.5 | E766 M773 R774 F809 | E766-E770 WeakPolarHBondContact O-CB 3.24Å; E766-E770 WeakPolarHBondContact O-CG 3.28Å; E766-E770 PolarHBondContact O-N 3.24Å; E770-M773 PolarHBondContact O-N 3.24Å; E770-R774 WeakPolarHBondContact O-CG 3.35Å; E770-R774 PolarHBondContact O-N 3.2Å; E770-F809 HydrophobicContact CG-CE1 3.63Å; E770-F809 HydrophobicContact CG-CZ 3.92Å |
| 771 | R | 88.3 | Confident | 86.8 | Confident | 17 Ų | 17 | 43.9 Ų | 43.9 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.1 | -43.5 | 177.4 | 179.2 | 59.4 | -172.2 | 91.8 | -2.4 | 112.5 | L729 D735 E738 A767 V768 L769 M773 R774 G775 | L729-R771 HydrophobicContact CD2-CB 4.5Å; L729-R771 HydrophobicContact CD2-CG 4.24Å; L729-R771 WeakPolarHBondContact O-CD 3.24Å; D735-R771 IonicContact OD1-NH2 3.34Å; E738-R771 IonicContact OE1-CZ 2.83Å; E738-R771 IonicContact OE1-NE 2.91Å; E738-R771 PolarHBondContact OE1-NE 2.92Å; E738-R771 IonicContact OE1-NH2 2.76Å; E738-R771 IonicContact OE2-CZ 3.32Å; E738-R771 IonicContact OE2-NE 3.96Å; E738-R771 PolarHBondContact OE2-NE 3.2Å; E738-R771 IonicContact OE2-NH2 3.42Å; E738-R771 PolarHBondContact OE2-NH2 2.87Å; A767-R771 PolarHBondContact O-N 3.3Å; A767-R771 VanDerWaalsContact O-N 3.17Å; V768-R771 PolarHBondContact O-N 3.23Å; L769-R771 VanDerWaalsContact C-N 3.27Å; L769-R771 PolarHBondContact O-N 3.22Å; R771-M773 VanDerWaalsContact C-N 3.29Å; R771-M773 PolarHBondContact O-N 3.01Å; R771-R774 PolarHBondContact O-N 3.38Å; R771-G775 PolarHBondContact NH1-O 3.4Å |
| 772 | L | 85.9 | Confident | 86.7 | Confident | 11 Ų | 11 | 45.9 Ų | 45.9 | 6% | 0.058 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.4 | -41.7 | 177.5 | -164.5 | 66.3 | 0 | 0 | 0 | 111.5 | V768 L769 R774 G775 V776 R782 C785 L786 Q823 | V768-L772 WeakPolarHBondContact O-CB 3.46Å; V768-L772 PolarHBondContact O-N 3.39Å; L769-L772 HydrophobicContact CD2-CD2 4.23Å; L769-L772 PolarHBondContact O-N 3.01Å; L772-R774 VanDerWaalsContact C-N 3.33Å; L772-R774 PolarHBondContact O-N 3.06Å; L772-G775 PolarHBondContact O-N 2.94Å; L772-V776 HydrophobicContact CD1-CG2 4.12Å; L772-R782 HydrophobicContact CD1-CB 4.49Å; L772-R782 HydrophobicContact CD1-CG 3.82Å; L772-C785 HydrophobicContact CD1-CB 4.11Å; L772-L786 HydrophobicContact CD2-CD2 4.17Å; L772-Q823 VanDerWaalsContact CD1-NE2 3.32Å |
| 773 | M | 80.3 | Confident | 86.6 | Confident | 71 Ų | 71 | 44.3 Ų | 44.3 | 35% | 0.35 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -72.6 | -19.9 | -178.1 | -69.4 | -63.3 | -62.5 | 0 | 0 | 114.1 | L769 E770 R771 G775 F809 H819 | L769-M773 WeakPolarHBondContact O-CB 3.41Å; L769-M773 WeakPolarHBondContact O-CG 3.45Å; L769-M773 PolarHBondContact O-N 3.09Å; E770-M773 PolarHBondContact O-N 3.24Å; R771-M773 VanDerWaalsContact C-N 3.29Å; R771-M773 PolarHBondContact O-N 3.01Å; M773-G775 PolarHBondContact O-N 3.44Å; M773-F809 HydrophobicContact CG-CD2 4.29Å; M773-F809 HydrophobicContact CG-CE2 4.36Å; M773-H819 PolarHBondContact SD-CD2 3.29Å; M773-H819 PolarHBondContact SD-NE2 3.45Å; M773-H819 VanDerWaalsContact SD-NE2 3.39Å |
| 774 | R | 80.6 | Confident | 86.6 | Confident | 145 Ų | 145 | 41 Ų | 41 | 55% | 0.547 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -8.7 | 173.8 | -69.7 | 174 | -169.2 | -167.2 | 4.6 | 113.1 | T730 E770 R771 L772 | T730-R774 PolarHBondContact O-NH1 3.28Å; E770-R774 WeakPolarHBondContact O-CG 3.35Å; E770-R774 PolarHBondContact O-N 3.2Å; R771-R774 PolarHBondContact O-N 3.38Å; L772-R774 VanDerWaalsContact C-N 3.33Å; L772-R774 PolarHBondContact O-N 3.06Å |
| 775 | G | 73.4 | Confident | 86.6 | Confident | 48 Ų | 48 | 41 Ų | 41 | 50% | 0.495 | 21% | 0.205 | S | C | . | . | trans | 90.2 | 126.4 | -174 | 0 | 0 | 0 | 0 | 0 | 110.8 | R771 L772 M773 | R771-G775 PolarHBondContact NH1-O 3.4Å; L772-G775 PolarHBondContact O-N 2.94Å; M773-G775 PolarHBondContact O-N 3.44Å | ||
| 776 | V | 77.6 | Confident | 86.6 | Confident | 24 Ų | 24 | 41 Ų | 41 | 15% | 0.145 | 21% | 0.205 | C | C | . | . | trans | -118.1 | 126.6 | 179.9 | -172.3 | 0 | 0 | 0 | 0 | 108 | L772 S778 L781 R782 | L772-V776 HydrophobicContact CD1-CG2 4.12Å; V776-S778 VanDerWaalsContact CG1-O 3.28Å; V776-S778 WeakPolarHBondContact CG1-O 3.47Å; V776-L781 HydrophobicContact CG1-CB 3.66Å; V776-L781 HydrophobicContact CG1-CD2 3.67Å; V776-L781 HydrophobicContact CG1-CG 3.64Å; V776-R782 HydrophobicContact CB-CB 4.47Å; V776-R782 HydrophobicContact CG1-CB 4.34Å | ||
| 777 | K | 72.6 | Confident | 86.6 | Confident | 205 Ų | 205 | 37.6 Ų | 37.6 | 89% | 0.891 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -81.3 | -43.9 | 179.7 | -67.9 | 178.2 | -175.7 | 166.9 | 0 | 111.4 | ||
| 778 | S | 84.8 | Confident | 86.8 | Confident | 29 Ų | 29 | 37.5 Ų | 37.5 | 20% | 0.203 | 19% | 0.188 | C | C | . | . | trans | -73.7 | 137.8 | 176.9 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | D735 V776 E780 R782 | D735-S778 VanDerWaalsContact OD2-CB 3.28Å; D735-S778 WeakPolarHBondContact OD2-CB 3.22Å; V776-S778 VanDerWaalsContact CG1-O 3.28Å; V776-S778 WeakPolarHBondContact CG1-O 3.47Å; S778-E780 VanDerWaalsContact C-N 3.3Å; S778-E780 WeakPolarHBondContact OG-CB 3.27Å; S778-E780 PolarHBondContact OG-N 3.1Å; S778-E780 VanDerWaalsContact OG-N 3.12Å; S778-R782 PolarHBondContact O-NH1 3.47Å | ||
| 779 | S | 86.1 | Confident | 86.9 | Confident | 49 Ų | 49 | 37.5 Ų | 37.5 | 34% | 0.343 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 168.9 | 45.7 | 0 | 0 | 0 | 0 | 112.1 | R782 T783 | S779-R782 WeakPolarHBondContact O-CB 3.38Å; S779-R782 PolarHBondContact O-N 3.48Å; S779-T783 PolarHBondContact O-N 3.18Å; S779-T783 PolarHBondContact O-OG1 2.91Å |
| 780 | E | 87.6 | Confident | 87.1 | Confident | 76 Ų | 76 | 37.2 Ų | 37.2 | 36% | 0.355 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -65.9 | -51.7 | -178.2 | -173 | 174.8 | -163.4 | 0 | 0 | 111.8 | S778 R782 T783 M784 | S778-E780 VanDerWaalsContact C-N 3.3Å; S778-E780 WeakPolarHBondContact OG-CB 3.27Å; S778-E780 PolarHBondContact OG-N 3.1Å; S778-E780 VanDerWaalsContact OG-N 3.12Å; E780-R782 PolarHBondContact O-N 3.29Å; E780-T783 WeakPolarHBondContact O-CA 3.41Å; E780-T783 WeakPolarHBondContact O-CB 3.49Å; E780-T783 PolarHBondContact O-N 3.33Å; E780-T783 VanDerWaalsContact O-N 3.07Å; E780-M784 WeakPolarHBondContact O-CG 3.47Å; E780-M784 PolarHBondContact O-N 3.5Å |
| 781 | L | 89 | Confident | 87.4 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -35.4 | 176.4 | 176 | 57 | 0 | 0 | 0 | 112 | E738 C739 V776 M784 C785 | E738-L781 HydrophobicContact CB-CD1 3.67Å; E738-L781 HydrophobicContact CB-CD2 3.84Å; E738-L781 HydrophobicContact CB-CG 4.44Å; E738-L781 WeakPolarHBondContact OE2-CD2 3.43Å; C739-L781 WeakPolarHBondContact SG-CA 3.47Å; V776-L781 HydrophobicContact CG1-CB 3.66Å; V776-L781 HydrophobicContact CG1-CD2 3.67Å; V776-L781 HydrophobicContact CG1-CG 3.64Å; L781-M784 PolarHBondContact O-N 3.14Å; L781-C785 WeakPolarHBondContact O-CB 3.38Å; L781-C785 PolarHBondContact O-N 3.29Å; L781-C785 PolarHBondContact O-SG 3.45Å |
| 782 | R | 90.4 | Very high | 87.6 | Confident | 44 Ų | 44 | 33.7 Ų | 33.7 | 17% | 0.166 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.2 | -171.3 | 165.5 | 65.4 | -107.5 | 0.3 | 110.7 | L772 V776 S778 S779 E780 C785 L786 Q823 D827 | L772-R782 HydrophobicContact CD1-CB 4.49Å; L772-R782 HydrophobicContact CD1-CG 3.82Å; V776-R782 HydrophobicContact CB-CB 4.47Å; V776-R782 HydrophobicContact CG1-CB 4.34Å; S778-R782 PolarHBondContact O-NH1 3.47Å; S779-R782 WeakPolarHBondContact O-CB 3.38Å; S779-R782 PolarHBondContact O-N 3.48Å; E780-R782 PolarHBondContact O-N 3.29Å; R782-C785 PolarHBondContact O-N 3.12Å; R782-L786 VanDerWaalsContact O-CG 3.28Å; R782-L786 WeakPolarHBondContact O-CG 3.37Å; R782-L786 PolarHBondContact O-N 3.38Å; R782-L786 VanDerWaalsContact O-N 3.11Å; R782-Q823 VanDerWaalsContact CD-NE2 3.29Å; R782-D827 WeakPolarHBondContact CD-OD2 3.35Å; R782-D827 WeakPolarHBondContact CG-OD2 3.36Å; R782-D827 IonicContact CZ-OD1 3.46Å; R782-D827 IonicContact NE-OD1 2.81Å; R782-D827 PolarHBondContact NE-OD1 2.8Å; R782-D827 IonicContact NE-OD2 2.81Å; R782-D827 PolarHBondContact NE-OD2 3.31Å; R782-D827 IonicContact NH2-OD1 2.68Å; R782-D827 PolarHBondContact NH2-OD1 3.29Å; R782-D827 VanDerWaalsContact NH2-OD1 3.15Å |
| 783 | T | 90.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -46.4 | 175 | -61.3 | 0 | 0 | 0 | 0 | 111.8 | S779 E780 C785 L786 Q787 F830 F831 | S779-T783 PolarHBondContact O-N 3.18Å; S779-T783 PolarHBondContact O-OG1 2.91Å; E780-T783 WeakPolarHBondContact O-CA 3.41Å; E780-T783 WeakPolarHBondContact O-CB 3.49Å; E780-T783 PolarHBondContact O-N 3.33Å; E780-T783 VanDerWaalsContact O-N 3.07Å; T783-C785 PolarHBondContact O-N 3.42Å; T783-L786 WeakPolarHBondContact O-CB 3.13Å; T783-L786 PolarHBondContact O-N 3.13Å; T783-L786 VanDerWaalsContact O-N 3.16Å; T783-Q787 WeakPolarHBondContact O-CG 3.18Å; T783-Q787 PolarHBondContact O-N 2.87Å; T783-F830 PolarHBondContact OG1-O 2.95Å; T783-F831 HydrophobicContact CG2-CD1 3.55Å; T783-F831 HydrophobicContact CG2-CD2 3.92Å; T783-F831 HydrophobicContact CG2-CE1 3.57Å; T783-F831 HydrophobicContact CG2-CE2 3.93Å; T783-F831 HydrophobicContact CG2-CG 3.74Å; T783-F831 HydrophobicContact CG2-CZ 3.76Å |
| 784 | M | 91.7 | Very high | 88.5 | Confident | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.5 | -43.3 | 179.1 | -67.6 | -60.4 | 109.7 | 0 | 0 | 112.7 | C739 A742 E780 L781 L786 Q787 V788 L952 | C739-M784 HydrophobicContact CB-CG 4.27Å; A742-M784 HydrophobicContact CB-CB 3.91Å; E780-M784 WeakPolarHBondContact O-CG 3.47Å; E780-M784 PolarHBondContact O-N 3.5Å; L781-M784 PolarHBondContact O-N 3.14Å; M784-L786 VanDerWaalsContact C-N 3.3Å; M784-L786 PolarHBondContact O-N 3.26Å; M784-Q787 VanDerWaalsContact CE-CD 3.48Å; M784-Q787 WeakPolarHBondContact O-CB 3.49Å; M784-Q787 PolarHBondContact O-N 3.42Å; M784-Q787 PolarHBondContact SD-OE1 2.8Å; M784-V788 PolarHBondContact O-N 2.8Å; M784-L952 HydrophobicContact CE-CD1 4.46Å; M784-L952 HydrophobicContact CG-CD1 3.91Å; M784-L952 HydrophobicContact SD-CD1 3.58Å; M784-L952 VanDerWaalsContact SD-CD1 3.58Å |
| 785 | C | 92.9 | Very high | 89 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61 | -39.1 | 174 | -77.8 | 0 | 0 | 0 | 0 | 112.1 | V768 L772 L781 R782 T783 | V768-C785 HydrophobicContact CB-CB 4.23Å; L772-C785 HydrophobicContact CD1-CB 4.11Å; L781-C785 WeakPolarHBondContact O-CB 3.38Å; L781-C785 PolarHBondContact O-N 3.29Å; L781-C785 PolarHBondContact O-SG 3.45Å; R782-C785 PolarHBondContact O-N 3.12Å; T783-C785 PolarHBondContact O-N 3.42Å |
| 786 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 175 | -68.2 | 170.9 | 0 | 0 | 0 | 111.2 | L772 R782 T783 M784 V788 V789 I790 F820 W824 D827 F831 | L772-L786 HydrophobicContact CD2-CD2 4.17Å; R782-L786 VanDerWaalsContact O-CG 3.28Å; R782-L786 WeakPolarHBondContact O-CG 3.37Å; R782-L786 PolarHBondContact O-N 3.38Å; R782-L786 VanDerWaalsContact O-N 3.11Å; T783-L786 WeakPolarHBondContact O-CB 3.13Å; T783-L786 PolarHBondContact O-N 3.13Å; T783-L786 VanDerWaalsContact O-N 3.16Å; M784-L786 VanDerWaalsContact C-N 3.3Å; M784-L786 PolarHBondContact O-N 3.26Å; L786-V788 VanDerWaalsContact C-N 3.34Å; L786-V788 PolarHBondContact O-N 3.1Å; L786-V789 WeakPolarHBondContact O-CB 3.44Å; L786-V789 PolarHBondContact O-N 2.76Å; L786-V789 VanDerWaalsContact O-N 3.09Å; L786-I790 HydrophobicContact CB-CD1 4.48Å; L786-I790 VanDerWaalsContact O-CG1 3.24Å; L786-I790 WeakPolarHBondContact O-CG1 3.1Å; L786-I790 PolarHBondContact O-N 3.08Å; L786-F820 HydrophobicContact CD2-CD2 3.68Å; L786-F820 HydrophobicContact CD2-CE2 3.57Å; L786-W824 HydrophobicContact CD2-CB 4.3Å; L786-D827 HydrophobicContact CD1-CB 4.02Å; L786-F831 HydrophobicContact CB-CZ 4.24Å; L786-F831 HydrophobicContact CD1-CE2 4.49Å; L786-F831 HydrophobicContact CD1-CZ 4.48Å |
| 787 | Q | 93 | Very high | 90.4 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.7 | -41.3 | 178.3 | -78.1 | -179.6 | -7.3 | 0 | 0 | 113.5 | E746 T783 M784 V789 I790 A791 F831 D836 | E746-Q787 PolarHBondContact OE2-OE1 2.8Å; T783-Q787 WeakPolarHBondContact O-CG 3.18Å; T783-Q787 PolarHBondContact O-N 2.87Å; M784-Q787 VanDerWaalsContact CE-CD 3.48Å; M784-Q787 WeakPolarHBondContact O-CB 3.49Å; M784-Q787 PolarHBondContact O-N 3.42Å; M784-Q787 PolarHBondContact SD-OE1 2.8Å; Q787-V789 VanDerWaalsContact C-N 3.27Å; Q787-V789 PolarHBondContact O-N 3.31Å; Q787-I790 CarbonylContact O-C 3.45Å; Q787-I790 WeakPolarHBondContact O-CB 3.4Å; Q787-I790 PolarHBondContact O-N 3.44Å; Q787-I790 VanDerWaalsContact O-N 3.09Å; Q787-A791 WeakPolarHBondContact O-CB 3.49Å; Q787-A791 PolarHBondContact O-N 3.39Å; Q787-F831 HydrophobicContact CG-CD1 4.47Å; Q787-F831 HydrophobicContact CG-CE1 3.72Å; Q787-D836 PolarHBondContact NE2-OD1 3.21Å |
| 788 | V | 95.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.7 | -40.9 | 175.6 | 176.2 | 0 | 0 | 0 | 0 | 111.5 | A742 L745 E746 I749 F764 V768 M784 L786 A791 A792 | A742-V788 HydrophobicContact CB-CG2 4.17Å; A742-V788 WeakPolarHBondContact O-CG2 3.35Å; L745-V788 HydrophobicContact CB-CG1 4.17Å; L745-V788 HydrophobicContact CB-CG2 4.13Å; E746-V788 HydrophobicContact CB-CG2 4.16Å; I749-V788 HydrophobicContact CD1-CG1 3.91Å; F764-V788 HydrophobicContact CB-CG1 4.49Å; V768-V788 HydrophobicContact CG1-CB 4Å; V768-V788 HydrophobicContact CG1-CG1 3.96Å; V768-V788 HydrophobicContact CG1-CG2 4.01Å; V768-V788 HydrophobicContact CG2-CB 4.12Å; V768-V788 HydrophobicContact CG2-CG1 4.02Å; M784-V788 PolarHBondContact O-N 2.8Å; L786-V788 VanDerWaalsContact C-N 3.34Å; L786-V788 PolarHBondContact O-N 3.1Å; V788-A791 PolarHBondContact O-N 3.37Å; V788-A792 PolarHBondContact O-N 2.94Å |
| 789 | V | 94.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -70.6 | -36.8 | 177 | -172.9 | 0 | 0 | 0 | 0 | 111.1 | V768 L769 L786 Q787 A792 L793 L800 F820 | V768-V789 HydrophobicContact CG2-CG2 3.88Å; L769-V789 HydrophobicContact CD2-CG2 4.07Å; L769-V789 HydrophobicContact CG-CG2 4.25Å; L786-V789 WeakPolarHBondContact O-CB 3.44Å; L786-V789 PolarHBondContact O-N 2.76Å; L786-V789 VanDerWaalsContact O-N 3.09Å; Q787-V789 VanDerWaalsContact C-N 3.27Å; Q787-V789 PolarHBondContact O-N 3.31Å; V789-A792 WeakPolarHBondContact O-CB 3.39Å; V789-A792 PolarHBondContact O-N 3.13Å; V789-L793 PolarHBondContact O-N 3.13Å; V789-L800 HydrophobicContact CG1-CD1 3.92Å; V789-L800 HydrophobicContact CG1-CD2 4.1Å; V789-F820 HydrophobicContact CB-CD2 4.23Å; V789-F820 HydrophobicContact CB-CE2 3.53Å; V789-F820 HydrophobicContact CB-CZ 3.77Å; V789-F820 HydrophobicContact CG1-CD1 4.23Å; V789-F820 HydrophobicContact CG1-CD2 3.92Å; V789-F820 HydrophobicContact CG1-CE1 3.8Å; V789-F820 HydrophobicContact CG1-CE2 3.46Å; V789-F820 VanDerWaalsContact CG1-CE2 3.46Å; V789-F820 HydrophobicContact CG1-CG 4.29Å; V789-F820 HydrophobicContact CG1-CZ 3.4Å; V789-F820 HydrophobicContact CG2-CD2 4.47Å; V789-F820 HydrophobicContact CG2-CE2 4.15Å |
| 790 | I | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 175 | -64.1 | 164.7 | 0 | 0 | 0 | 111 | L786 Q787 A792 L793 Y794 F820 W824 F831 M839 | L786-I790 HydrophobicContact CB-CD1 4.48Å; L786-I790 VanDerWaalsContact O-CG1 3.24Å; L786-I790 WeakPolarHBondContact O-CG1 3.1Å; L786-I790 PolarHBondContact O-N 3.08Å; Q787-I790 CarbonylContact O-C 3.45Å; Q787-I790 WeakPolarHBondContact O-CB 3.4Å; Q787-I790 PolarHBondContact O-N 3.44Å; Q787-I790 VanDerWaalsContact O-N 3.09Å; I790-A792 VanDerWaalsContact C-N 3.33Å; I790-A792 PolarHBondContact O-N 3.25Å; I790-L793 VanDerWaalsContact O-CB 3.31Å; I790-L793 WeakPolarHBondContact O-CB 3.37Å; I790-L793 PolarHBondContact O-N 3.12Å; I790-Y794 PolarHBondContact O-N 2.98Å; I790-F820 HydrophobicContact CG1-CZ 4.3Å; I790-W824 HydrophobicContact CB-CZ2 4.49Å; I790-W824 HydrophobicContact CD1-CD2 4.08Å; I790-W824 HydrophobicContact CD1-CG 4.45Å; I790-W824 HydrophobicContact CD1-CH2 4.31Å; I790-W824 HydrophobicContact CD1-CZ2 3.52Å; I790-W824 VanDerWaalsContact CD1-NE1 3.34Å; I790-W824 HydrophobicContact CG1-CD2 4.15Å; I790-W824 HydrophobicContact CG1-CE3 4.41Å; I790-W824 HydrophobicContact CG1-CH2 3.8Å; I790-W824 HydrophobicContact CG1-CZ2 3.52Å; I790-W824 HydrophobicContact CG1-CZ3 4.25Å; I790-W824 HydrophobicContact CG2-CH2 4.32Å; I790-W824 HydrophobicContact CG2-CZ2 4.16Å; I790-F831 HydrophobicContact CD1-CE1 4.05Å; I790-F831 HydrophobicContact CD1-CZ 3.93Å; I790-M839 HydrophobicContact CG2-CE 4.38Å; I790-M839 WeakPolarHBondContact CG2-O 3.46Å |
| 791 | A | 93.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -62.9 | -40.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | E746 I749 L750 Q787 V788 L793 Y794 Y795 M839 | E746-A791 HydrophobicContact CG-CB 3.98Å; I749-A791 HydrophobicContact CB-CB 4.23Å; I749-A791 HydrophobicContact CD1-CB 4.32Å; I749-A791 HydrophobicContact CG2-CB 3.93Å; I749-A791 WeakPolarHBondContact CG2-O 3.29Å; L750-A791 HydrophobicContact CD2-CB 4.08Å; L750-A791 HydrophobicContact CG-CB 4.24Å; Q787-A791 WeakPolarHBondContact O-CB 3.49Å; Q787-A791 PolarHBondContact O-N 3.39Å; V788-A791 PolarHBondContact O-N 3.37Å; A791-L793 VanDerWaalsContact C-N 3.33Å; A791-L793 PolarHBondContact O-N 2.98Å; A791-Y794 PolarHBondContact O-N 3.27Å; A791-Y795 WeakPolarHBondContact O-CB 3.5Å; A791-Y795 PolarHBondContact O-N 3.03Å; A791-M839 HydrophobicContact CB-CE 3.85Å |
| 792 | A | 93.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I749 I761 V765 V788 V789 I790 Y794 Y795 N796 L800 | I749-A792 HydrophobicContact CD1-CB 4.47Å; I761-A792 HydrophobicContact CG2-CB 3.74Å; V765-A792 HydrophobicContact CG2-CB 3.75Å; V788-A792 PolarHBondContact O-N 2.94Å; V789-A792 WeakPolarHBondContact O-CB 3.39Å; V789-A792 PolarHBondContact O-N 3.13Å; I790-A792 VanDerWaalsContact C-N 3.33Å; I790-A792 PolarHBondContact O-N 3.25Å; A792-Y794 VanDerWaalsContact C-N 3.33Å; A792-Y795 PolarHBondContact O-N 3.13Å; A792-N796 PolarHBondContact O-N 3.05Å; A792-L800 HydrophobicContact CB-CD1 4.15Å |
| 793 | L | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 19.7 Ų | 19.7 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 173.4 | 179.6 | 63.2 | 0 | 0 | 0 | 110.5 | V789 I790 A791 P797 L800 W824 G843 M846 L847 L850 | V789-L793 PolarHBondContact O-N 3.13Å; I790-L793 VanDerWaalsContact O-CB 3.31Å; I790-L793 WeakPolarHBondContact O-CB 3.37Å; I790-L793 PolarHBondContact O-N 3.12Å; A791-L793 VanDerWaalsContact C-N 3.33Å; A791-L793 PolarHBondContact O-N 2.98Å; L793-P797 HydrophobicContact CD1-CB 3.93Å; L793-P797 HydrophobicContact CD1-CG 4.46Å; L793-P797 VanDerWaalsContact O-CD 3.25Å; L793-P797 WeakPolarHBondContact O-CD 3.41Å; L793-P797 VanDerWaalsContact O-CG 3.27Å; L793-P797 WeakPolarHBondContact O-CG 2.97Å; L793-L800 HydrophobicContact CB-CD2 3.5Å; L793-L800 VanDerWaalsContact CB-CD2 3.5Å; L793-L800 HydrophobicContact CD1-CD2 3.99Å; L793-L800 HydrophobicContact CG-CD2 4.29Å; L793-W824 HydrophobicContact CD2-CH2 4.21Å; L793-W824 HydrophobicContact CD2-CZ3 4.21Å; L793-G843 WeakPolarHBondContact CD2-O 3.34Å; L793-M846 HydrophobicContact CD2-CB 4.26Å; L793-M846 HydrophobicContact CG-CB 4.19Å; L793-L847 HydrophobicContact CD2-CB 4.09Å; L793-L847 HydrophobicContact CD2-CD1 4.25Å; L793-L850 HydrophobicContact CD1-CD2 4.36Å |
| 794 | Y | 91.9 | Very high | 91 | Very high | 12 Ų | 12 | 19.7 Ų | 19.7 | 5% | 0.047 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.4 | -31.2 | 178.7 | 178.5 | -109.8 | 0 | 0 | 0 | 113.6 | L750 R753 I790 A791 A792 I842 M846 L959 E965 | L750-Y794 HydrophobicContact CD2-CD1 3.8Å; L750-Y794 HydrophobicContact CD2-CE1 4.21Å; R753-Y794 VanDerWaalsContact CZ-CE1 3.49Å; R753-Y794 PolarHBondContact NE-O 3.33Å; R753-Y794 PolarHBondContact NH1-OH 3.35Å; R753-Y794 PolarHBondContact NH2-O 3.44Å; I790-Y794 PolarHBondContact O-N 2.98Å; A791-Y794 PolarHBondContact O-N 3.27Å; A792-Y794 VanDerWaalsContact C-N 3.33Å; Y794-I842 HydrophobicContact CD2-CG2 3.38Å; Y794-I842 HydrophobicContact CE2-CG2 3.52Å; Y794-I842 HydrophobicContact CG-CG2 4.21Å; Y794-M846 HydrophobicContact CD2-CE 4.15Å; Y794-M846 HydrophobicContact CD2-CG 4.23Å; Y794-M846 HydrophobicContact CE2-CE 4.15Å; Y794-L959 HydrophobicContact CE1-CD1 4.2Å; Y794-L959 HydrophobicContact CE1-CD2 4.25Å; Y794-E965 VanDerWaalsContact CE2-OE2 3.24Å; Y794-E965 WeakPolarHBondContact CE2-OE2 3.4Å; Y794-E965 PolarHBondContact OH-OE1 3.4Å; Y794-E965 PolarHBondContact OH-OE2 2.87Å |
| 795 | Y | 91.1 | Very high | 90.5 | Very high | 23 Ų | 23 | 23.9 Ų | 23.9 | 9% | 0.09 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.9 | -57.4 | 174.5 | -176.1 | -81.4 | 0 | 0 | 0 | 111.4 | I749 R753 I757 E758 I761 A791 A792 | I749-Y795 HydrophobicContact CG2-CD2 4.12Å; I749-Y795 HydrophobicContact CG2-CG 4.26Å; R753-Y795 HydrophobicContact CB-CD2 4.28Å; R753-Y795 HydrophobicContact CG-CD2 4.17Å; I757-Y795 HydrophobicContact CD1-CE2 3.95Å; I757-Y795 HydrophobicContact CG1-CE2 3.59Å; I757-Y795 PolarHBondContact N-OH 3.34Å; E758-Y795 HydrophobicContact CG-CE1 4.21Å; E758-Y795 PolarHBondContact OE1-OH 3.37Å; I761-Y795 HydrophobicContact CD1-CD1 4.23Å; I761-Y795 HydrophobicContact CD1-CD2 4.4Å; I761-Y795 HydrophobicContact CD1-CG 4.21Å; I761-Y795 HydrophobicContact CG1-CD1 4.06Å; I761-Y795 HydrophobicContact CG1-CE1 4.21Å; A791-Y795 WeakPolarHBondContact O-CB 3.5Å; A791-Y795 PolarHBondContact O-N 3.03Å; A792-Y795 PolarHBondContact O-N 3.13Å |
| 796 | N | 90.9 | Very high | 89.9 | Confident | 57 Ų | 57 | 29 Ų | 29 | 31% | 0.305 | 16% | 0.161 | S | C | . | . | trans | -155.2 | 102.1 | 178.5 | -173.9 | -25.3 | 0 | 0 | 0 | 111.4 | A792 A798 L799 L800 | A792-N796 PolarHBondContact O-N 3.05Å; N796-A798 VanDerWaalsContact C-N 3.33Å; N796-A798 PolarHBondContact O-N 3.42Å; N796-A798 PolarHBondContact OD1-N 3.23Å; N796-A798 VanDerWaalsContact OD1-N 3.14Å; N796-L799 HydrophobicContact CB-CB 3.91Å; N796-L799 PolarHBondContact O-N 3.31Å; N796-L799 PolarHBondContact OD1-N 2.92Å; N796-L800 PolarHBondContact O-N 3.37Å; N796-L800 VanDerWaalsContact O-N 3.12Å | ||
| 797 | P | 88.9 | Confident | 89.3 | Confident | 44 Ų | 44 | 30.3 Ų | 30.3 | 29% | 0.286 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -60.7 | -37.5 | -177.3 | -21.8 | 28.5 | 0 | 0 | 0 | 114.1 | L793 L800 I801 L850 | L793-P797 HydrophobicContact CD1-CB 3.93Å; L793-P797 HydrophobicContact CD1-CG 4.46Å; L793-P797 VanDerWaalsContact O-CD 3.25Å; L793-P797 WeakPolarHBondContact O-CD 3.41Å; L793-P797 VanDerWaalsContact O-CG 3.27Å; L793-P797 WeakPolarHBondContact O-CG 2.97Å; P797-L800 PolarHBondContact O-N 3.32Å; P797-I801 VanDerWaalsContact O-CG1 3.32Å; P797-I801 WeakPolarHBondContact O-CG1 3.25Å; P797-I801 PolarHBondContact O-N 2.85Å; P797-I801 VanDerWaalsContact O-N 3.12Å; P797-L850 HydrophobicContact CB-CD2 3.66Å |
| 798 | A | 88.2 | Confident | 88.1 | Confident | 72 Ų | 72 | 38 Ų | 38 | 60% | 0.595 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.8 | -40.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | N796 Q802 | N796-A798 VanDerWaalsContact C-N 3.33Å; N796-A798 PolarHBondContact O-N 3.42Å; N796-A798 PolarHBondContact OD1-N 3.23Å; N796-A798 VanDerWaalsContact OD1-N 3.14Å; A798-Q802 WeakPolarHBondContact O-CB 3.44Å; A798-Q802 PolarHBondContact O-N 3.24Å; A798-Q802 VanDerWaalsContact O-N 3.09Å |
| 799 | L | 89.8 | Confident | 86.7 | Confident | 29 Ų | 29 | 40.1 Ų | 40.1 | 15% | 0.152 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 177.4 | -179.9 | 61.9 | 0 | 0 | 0 | 111.8 | E758 I761 P762 N796 Q802 T803 | E758-L799 HydrophobicContact CB-CD2 4.01Å; E758-L799 HydrophobicContact CG-CD2 4.37Å; E758-L799 WeakPolarHBondContact O-CD2 3.33Å; I761-L799 HydrophobicContact CB-CD2 3.94Å; I761-L799 HydrophobicContact CG1-CD2 4.18Å; I761-L799 HydrophobicContact CG2-CD2 4.25Å; P762-L799 HydrophobicContact CG-CD1 4.4Å; N796-L799 HydrophobicContact CB-CB 3.91Å; N796-L799 PolarHBondContact O-N 3.31Å; N796-L799 PolarHBondContact OD1-N 2.92Å; L799-Q802 PolarHBondContact O-N 2.97Å; L799-T803 WeakPolarHBondContact O-CB 3.4Å; L799-T803 PolarHBondContact O-N 3.09Å; L799-T803 PolarHBondContact O-OG1 3.33Å |
| 800 | L | 89.9 | Confident | 85 | Confident | 3 Ų | 3 | 45.6 Ų | 45.6 | 2% | 0.016 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 177.3 | 176.6 | 64.5 | 0 | 0 | 0 | 111.1 | V765 V789 A792 L793 N796 P797 Q802 T803 L804 | V765-L800 HydrophobicContact CG1-CD1 4.14Å; V765-L800 HydrophobicContact CG2-CD1 3.96Å; V789-L800 HydrophobicContact CG1-CD1 3.92Å; V789-L800 HydrophobicContact CG1-CD2 4.1Å; A792-L800 HydrophobicContact CB-CD1 4.15Å; L793-L800 HydrophobicContact CB-CD2 3.5Å; L793-L800 VanDerWaalsContact CB-CD2 3.5Å; L793-L800 HydrophobicContact CD1-CD2 3.99Å; L793-L800 HydrophobicContact CG-CD2 4.29Å; N796-L800 PolarHBondContact O-N 3.37Å; N796-L800 VanDerWaalsContact O-N 3.12Å; P797-L800 PolarHBondContact O-N 3.32Å; L800-Q802 VanDerWaalsContact C-N 3.31Å; L800-Q802 PolarHBondContact O-N 3.04Å; L800-T803 WeakPolarHBondContact O-CA 3.24Å; L800-T803 WeakPolarHBondContact O-CB 3.48Å; L800-T803 PolarHBondContact O-N 3.2Å; L800-L804 HydrophobicContact CD1-CD1 4.04Å; L800-L804 HydrophobicContact CD1-CD2 4.29Å; L800-L804 HydrophobicContact CD1-CG 3.92Å; L800-L804 HydrophobicContact CD2-CD1 4.36Å; L800-L804 HydrophobicContact CG-CD1 3.9Å; L800-L804 HydrophobicContact CG-CG 4.19Å; L800-L804 WeakPolarHBondContact O-CG 3.47Å; L800-L804 PolarHBondContact O-N 3.31Å |
| 801 | I | 86.7 | Confident | 83.2 | Confident | 36 Ų | 36 | 54 Ų | 54 | 19% | 0.185 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | -179.6 | -64 | -62.3 | 0 | 0 | 0 | 110.8 | P797 T803 L804 D805 T817 L850 P854 | P797-I801 VanDerWaalsContact O-CG1 3.32Å; P797-I801 WeakPolarHBondContact O-CG1 3.25Å; P797-I801 PolarHBondContact O-N 2.85Å; P797-I801 VanDerWaalsContact O-N 3.12Å; I801-T803 VanDerWaalsContact C-N 3.27Å; I801-T803 PolarHBondContact O-N 3.38Å; I801-L804 PolarHBondContact O-N 3.09Å; I801-D805 WeakPolarHBondContact O-CB 3.45Å; I801-D805 VanDerWaalsContact O-CG 3.29Å; I801-D805 PolarHBondContact O-N 3.46Å; I801-T817 HydrophobicContact CD1-CG2 4.46Å; I801-L850 HydrophobicContact CD1-CD1 4.3Å; I801-P854 HydrophobicContact CD1-CG 4.38Å |
| 802 | Q | 86.4 | Confident | 81.4 | Confident | 118 Ų | 118 | 55.9 Ų | 55.9 | 55% | 0.551 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -60 | -38.5 | 174.4 | -178.1 | 179.2 | -0.7 | 0 | 0 | 112.2 | A798 L799 L800 N806 | A798-Q802 WeakPolarHBondContact O-CB 3.44Å; A798-Q802 PolarHBondContact O-N 3.24Å; A798-Q802 VanDerWaalsContact O-N 3.09Å; L799-Q802 PolarHBondContact O-N 2.97Å; L800-Q802 VanDerWaalsContact C-N 3.31Å; L800-Q802 PolarHBondContact O-N 3.04Å; Q802-N806 WeakPolarHBondContact O-CB 3.36Å; Q802-N806 PolarHBondContact O-N 3.04Å; Q802-N806 PolarHBondContact O-ND2 3.3Å |
| 803 | T | 87.8 | Confident | 79.7 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 6% | 0.061 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.5 | -50.2 | 177.7 | -59.4 | 0 | 0 | 0 | 0 | 110.9 | P762 V765 L799 L800 I801 D805 N806 M807 | P762-T803 HydrophobicContact CB-CG2 3.89Å; V765-T803 HydrophobicContact CB-CG2 4.32Å; V765-T803 HydrophobicContact CG1-CG2 4.13Å; L799-T803 WeakPolarHBondContact O-CB 3.4Å; L799-T803 PolarHBondContact O-N 3.09Å; L799-T803 PolarHBondContact O-OG1 3.33Å; L800-T803 WeakPolarHBondContact O-CA 3.24Å; L800-T803 WeakPolarHBondContact O-CB 3.48Å; L800-T803 PolarHBondContact O-N 3.2Å; I801-T803 VanDerWaalsContact C-N 3.27Å; I801-T803 PolarHBondContact O-N 3.38Å; T803-D805 VanDerWaalsContact C-N 3.31Å; T803-D805 PolarHBondContact O-N 2.91Å; T803-N806 PolarHBondContact O-N 2.89Å; T803-M807 HydrophobicContact CG2-CE 3.53Å; T803-M807 HydrophobicContact CG2-SD 4.14Å; T803-M807 WeakPolarHBondContact O-CG 3.49Å; T803-M807 PolarHBondContact O-N 2.99Å |
| 804 | L | 86.2 | Confident | 78.3 | Confident | 3 Ų | 3 | 67.6 Ų | 67.6 | 2% | 0.016 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -63.4 | -35.6 | -179.7 | -64.2 | 175.4 | 0 | 0 | 0 | 112.6 | V765 L769 L800 I801 I816 T817 | V765-L804 HydrophobicContact CG1-CD2 4.16Å; L769-L804 HydrophobicContact CD1-CD2 3.62Å; L800-L804 HydrophobicContact CD1-CD1 4.04Å; L800-L804 HydrophobicContact CD1-CD2 4.29Å; L800-L804 HydrophobicContact CD1-CG 3.92Å; L800-L804 HydrophobicContact CD2-CD1 4.36Å; L800-L804 HydrophobicContact CG-CD1 3.9Å; L800-L804 HydrophobicContact CG-CG 4.19Å; L800-L804 WeakPolarHBondContact O-CG 3.47Å; L800-L804 PolarHBondContact O-N 3.31Å; I801-L804 PolarHBondContact O-N 3.09Å; L804-I816 HydrophobicContact CD2-CG2 4.1Å; L804-T817 VanDerWaalsContact CB-OG1 3.32Å; L804-T817 WeakPolarHBondContact CB-OG1 3.49Å; L804-T817 HydrophobicContact CD1-CG2 4.38Å |
| 805 | D | 80.4 | Confident | 77.3 | Confident | 89 Ų | 89 | 70.9 Ų | 70.9 | 48% | 0.476 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -73.3 | -26.6 | 178 | -73.1 | -13.2 | 0 | 0 | 0 | 112.8 | I801 T803 H808 T817 | I801-D805 WeakPolarHBondContact O-CB 3.45Å; I801-D805 VanDerWaalsContact O-CG 3.29Å; I801-D805 PolarHBondContact O-N 3.46Å; T803-D805 VanDerWaalsContact C-N 3.31Å; T803-D805 PolarHBondContact O-N 2.91Å; D805-H808 PolarHBondContact O-CE1 3.21Å; D805-T817 PolarHBondContact OD1-OG1 2.88Å |
| 806 | N | 80.9 | Confident | 76.8 | Confident | 110 Ų | 110 | 70.1 Ų | 70.1 | 59% | 0.588 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -84.5 | -23.5 | 178.7 | -73.3 | -32.1 | 0 | 0 | 0 | 113.2 | Q802 T803 H808 | Q802-N806 WeakPolarHBondContact O-CB 3.36Å; Q802-N806 PolarHBondContact O-N 3.04Å; Q802-N806 PolarHBondContact O-ND2 3.3Å; T803-N806 PolarHBondContact O-N 2.89Å; N806-H808 PolarHBondContact O-ND1 3.41Å |
| 807 | M | 79.4 | Confident | 76.4 | Confident | 26 Ų | 26 | 67.7 Ų | 67.7 | 13% | 0.128 | 37% | 0.374 | C | S | . | . | trans | -75 | 133.3 | 179 | -71.9 | 175.4 | 172.5 | 0 | 0 | 111.2 | V765 E766 L769 T803 I816 | V765-M807 HydrophobicContact CG1-CE 4.41Å; V765-M807 HydrophobicContact CG1-SD 4.46Å; E766-M807 VanDerWaalsContact CA-CE 3.41Å; E766-M807 HydrophobicContact CB-CE 3.34Å; E766-M807 HydrophobicContact CG-CE 3.74Å; L769-M807 HydrophobicContact CD1-SD 4.09Å; T803-M807 HydrophobicContact CG2-CE 3.53Å; T803-M807 HydrophobicContact CG2-SD 4.14Å; T803-M807 WeakPolarHBondContact O-CG 3.49Å; T803-M807 PolarHBondContact O-N 2.99Å; M807-I816 VanDerWaalsContact C-CD1 3.41Å; M807-I816 HydrophobicContact CB-CD1 3.24Å; M807-I816 WeakPolarHBondContact O-CD1 3.45Å | ||
| 808 | H | 69.7 | Low | 76.1 | Confident | 164 Ų | 164 | 65.9 Ų | 65.9 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | trans | -138.2 | 109.1 | 178.1 | -67.1 | 79.2 | 0 | 0 | 0 | 109.1 | D805 N806 | D805-H808 PolarHBondContact O-CE1 3.21Å; N806-H808 PolarHBondContact O-ND1 3.41Å | ||
| 809 | F | 64.8 | Low | 75.9 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 19% | 0.189 | 35% | 0.35 | C | S | . | . | trans | -90.8 | 145.7 | 178.4 | -67.2 | -63 | 0 | 0 | 0 | 112.2 | L769 E770 M773 H811 I816 | L769-F809 HydrophobicContact CB-CE2 4.42Å; L769-F809 HydrophobicContact CB-CZ 4.49Å; E770-F809 HydrophobicContact CG-CE1 3.63Å; E770-F809 HydrophobicContact CG-CZ 3.92Å; M773-F809 HydrophobicContact CG-CD2 4.29Å; M773-F809 HydrophobicContact CG-CE2 4.36Å; F809-H811 PolarHBondContact O-N 3.36Å; F809-I816 HydrophobicContact CD2-CD1 3.31Å; F809-I816 HydrophobicContact CD2-CG1 3.83Å; F809-I816 HydrophobicContact CE2-CD1 3.4Å; F809-I816 HydrophobicContact CE2-CG1 4.14Å; F809-I816 HydrophobicContact CG-CD1 4.31Å; F809-I816 HydrophobicContact CZ-CD1 4.44Å | ||
| 810 | P | 57.8 | Low | 75.7 | Confident | 115 Ų | 115 | 64.6 Ų | 64.6 | 75% | 0.747 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -11.3 | -170.1 | -21.9 | 32.3 | 0 | 0 | 0 | 116.4 | ||
| 811 | H | 57.7 | Low | 75.6 | Confident | 178 Ų | 178 | 64.5 Ų | 64.5 | 82% | 0.824 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.7 | 5.3 | -166.6 | -61.2 | -44.7 | 0 | 0 | 0 | 116 | F809 | F809-H811 PolarHBondContact O-N 3.36Š|
| 812 | S | 55.9 | Low | 75.6 | Confident | 38 Ų | 38 | 65.1 Ų | 65.1 | 27% | 0.266 | 35% | 0.347 | S | S | . | . | trans | -129.2 | 121.3 | 177.2 | 61.9 | 0 | 0 | 0 | 0 | 112.5 | Q814 | S812-Q814 VanDerWaalsContact C-N 3.26Å; S812-Q814 PolarHBondContact O-N 2.86Å | ||
| 813 | P | 56.6 | Low | 75.6 | Confident | 139 Ų | 139 | 61 Ų | 61 | 90% | 0.903 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -79.3 | -5 | 177 | 31.3 | -34.2 | 0 | 0 | 0 | 113.8 | ||
| 814 | Q | 62.8 | Low | 75.8 | Confident | 110 Ų | 110 | 60.5 Ų | 60.5 | 51% | 0.514 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -89.6 | 145.6 | 175.4 | -65.5 | -170.3 | 6.3 | 0 | 0 | 110.6 | S812 | S812-Q814 VanDerWaalsContact C-N 3.26Å; S812-Q814 PolarHBondContact O-N 2.86Å |
| 815 | P | 71.3 | Confident | 76 | Confident | 82 Ų | 82 | 60.8 Ų | 60.8 | 53% | 0.532 | 33% | 0.326 | S | S | . | . | trans | -61.4 | 138.5 | 171.8 | 25.9 | -32.4 | 0 | 0 | 0 | 109.7 | T817 A818 H819 | P815-T817 PolarHBondContact O-N 2.97Å; P815-A818 HydrophobicContact CG-CB 4.04Å; P815-A818 WeakPolarHBondContact O-CB 3.48Å; P815-A818 PolarHBondContact O-N 2.77Å; P815-H819 PolarHBondContact O-N 2.79Å | ||
| 816 | I | 81.8 | Confident | 76.4 | Confident | 7 Ų | 7 | 61.8 Ų | 61.8 | 4% | 0.036 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -34.8 | -176.4 | -67.2 | 163.2 | 0 | 0 | 0 | 111.1 | L769 L804 M807 F809 A818 H819 F820 | L769-I816 HydrophobicContact CD1-CG2 3.93Å; L804-I816 HydrophobicContact CD2-CG2 4.1Å; M807-I816 VanDerWaalsContact C-CD1 3.41Å; M807-I816 HydrophobicContact CB-CD1 3.24Å; M807-I816 WeakPolarHBondContact O-CD1 3.45Å; F809-I816 HydrophobicContact CD2-CD1 3.31Å; F809-I816 HydrophobicContact CD2-CG1 3.83Å; F809-I816 HydrophobicContact CE2-CD1 3.4Å; F809-I816 HydrophobicContact CE2-CG1 4.14Å; F809-I816 HydrophobicContact CG-CD1 4.31Å; F809-I816 HydrophobicContact CZ-CD1 4.44Å; I816-A818 PolarHBondContact O-N 3.23Å; I816-H819 PolarHBondContact O-N 3.26Å; I816-F820 PolarHBondContact O-N 3.44Å |
| 817 | T | 82.6 | Confident | 76.7 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -50.6 | -40.1 | 171.7 | -45 | 0 | 0 | 0 | 0 | 112.7 | I801 L804 D805 P815 I821 P854 | I801-T817 HydrophobicContact CD1-CG2 4.46Å; L804-T817 VanDerWaalsContact CB-OG1 3.32Å; L804-T817 WeakPolarHBondContact CB-OG1 3.49Å; L804-T817 HydrophobicContact CD1-CG2 4.38Å; D805-T817 PolarHBondContact OD1-OG1 2.88Å; P815-T817 PolarHBondContact O-N 2.97Å; T817-I821 HydrophobicContact CG2-CD1 4.1Å; T817-I821 WeakPolarHBondContact O-CB 3.28Å; T817-I821 WeakPolarHBondContact O-CD1 3.28Å; T817-I821 VanDerWaalsContact O-CG1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.48Å; T817-I821 PolarHBondContact O-N 3.33Å; T817-P854 HydrophobicContact CG2-CB 4.13Å; T817-P854 HydrophobicContact CG2-CG 3.99Å |
| 818 | A | 81.9 | Confident | 77.2 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -75.2 | -37.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | P815 I816 N822 A856 | P815-A818 HydrophobicContact CG-CB 4.04Å; P815-A818 WeakPolarHBondContact O-CB 3.48Å; P815-A818 PolarHBondContact O-N 2.77Å; I816-A818 PolarHBondContact O-N 3.23Å; A818-N822 WeakPolarHBondContact O-CB 3.35Å; A818-N822 VanDerWaalsContact O-CG 3.23Å; A818-N822 PolarHBondContact O-N 3.45Å; A818-N822 PolarHBondContact O-ND2 2.88Å; A818-A856 HydrophobicContact CB-CB 3.64Å |
| 819 | H | 83.1 | Confident | 77.9 | Confident | 69 Ų | 69 | 54.1 Ų | 54.1 | 32% | 0.319 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65 | -49.9 | 177.3 | -176.6 | 62.3 | 0 | 0 | 0 | 111 | M773 P815 I816 I821 N822 Q823 | M773-H819 PolarHBondContact SD-CD2 3.29Å; M773-H819 PolarHBondContact SD-NE2 3.45Å; M773-H819 VanDerWaalsContact SD-NE2 3.39Å; P815-H819 PolarHBondContact O-N 2.79Å; I816-H819 PolarHBondContact O-N 3.26Å; H819-I821 PolarHBondContact O-N 3.03Å; H819-N822 PolarHBondContact O-N 2.94Å; H819-Q823 PolarHBondContact NE2-OE1 3.35Å; H819-Q823 WeakPolarHBondContact O-CB 3.38Å; H819-Q823 PolarHBondContact O-N 3.32Å |
| 820 | F | 86.4 | Confident | 79 | Confident | 5 Ų | 5 | 55.6 Ų | 55.6 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.5 | -51.5 | 177.4 | 169.2 | -107.8 | 0 | 0 | 0 | 112.3 | L786 V789 I790 I816 N822 Q823 W824 | L786-F820 HydrophobicContact CD2-CD2 3.68Å; L786-F820 HydrophobicContact CD2-CE2 3.57Å; V789-F820 HydrophobicContact CB-CD2 4.23Å; V789-F820 HydrophobicContact CB-CE2 3.53Å; V789-F820 HydrophobicContact CB-CZ 3.77Å; V789-F820 HydrophobicContact CG1-CD1 4.23Å; V789-F820 HydrophobicContact CG1-CD2 3.92Å; V789-F820 HydrophobicContact CG1-CE1 3.8Å; V789-F820 HydrophobicContact CG1-CE2 3.46Å; V789-F820 VanDerWaalsContact CG1-CE2 3.46Å; V789-F820 HydrophobicContact CG1-CG 4.29Å; V789-F820 HydrophobicContact CG1-CZ 3.4Å; V789-F820 HydrophobicContact CG2-CD2 4.47Å; V789-F820 HydrophobicContact CG2-CE2 4.15Å; I790-F820 HydrophobicContact CG1-CZ 4.3Å; I816-F820 PolarHBondContact O-N 3.44Å; F820-N822 PolarHBondContact O-N 2.9Å; F820-Q823 PolarHBondContact O-N 3.26Å; F820-W824 AromaticContact CE1-CE3 3.68Å; F820-W824 HydrophobicContact CE1-CE3 3.68Å; F820-W824 HydrophobicContact CE1-CZ3 4.07Å; F820-W824 HydrophobicContact CE2-CB 4.5Å; F820-W824 HydrophobicContact CZ-CD2 4.2Å; F820-W824 AromaticContact CZ-CE3 3.63Å; F820-W824 HydrophobicContact CZ-CE3 3.63Å; F820-W824 HydrophobicContact CZ-CZ3 4.12Å; F820-W824 VanDerWaalsContact O-CB 3.31Å; F820-W824 WeakPolarHBondContact O-CB 3.31Å; F820-W824 PolarHBondContact O-N 3.25Å |
| 821 | I | 87.6 | Confident | 80.4 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | -178.1 | -69.8 | 170.7 | 0 | 0 | 0 | 111.4 | T817 H819 I825 L847 A856 L857 V860 | T817-I821 HydrophobicContact CG2-CD1 4.1Å; T817-I821 WeakPolarHBondContact O-CB 3.28Å; T817-I821 WeakPolarHBondContact O-CD1 3.28Å; T817-I821 VanDerWaalsContact O-CG1 3.24Å; T817-I821 WeakPolarHBondContact O-CG1 3.48Å; T817-I821 PolarHBondContact O-N 3.33Å; H819-I821 PolarHBondContact O-N 3.03Å; I821-I825 VanDerWaalsContact O-CG1 3.31Å; I821-I825 WeakPolarHBondContact O-CG1 3.32Å; I821-I825 PolarHBondContact O-N 3.28Å; I821-I825 VanDerWaalsContact O-N 3.15Å; I821-L847 HydrophobicContact CD1-CD1 4.45Å; I821-A856 HydrophobicContact CD1-CB 4.36Å; I821-L857 HydrophobicContact CD1-CB 4.38Å; I821-V860 HydrophobicContact CG2-CG2 3.57Å |
| 822 | N | 87.2 | Confident | 81.7 | Confident | 49 Ų | 49 | 45.1 Ų | 45.1 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -66.2 | -42.4 | 179.4 | -71.5 | -33.6 | 0 | 0 | 0 | 111.7 | A818 H819 F820 N826 V860 | A818-N822 WeakPolarHBondContact O-CB 3.35Å; A818-N822 VanDerWaalsContact O-CG 3.23Å; A818-N822 PolarHBondContact O-N 3.45Å; A818-N822 PolarHBondContact O-ND2 2.88Å; H819-N822 PolarHBondContact O-N 2.94Å; F820-N822 PolarHBondContact O-N 2.9Å; N822-N826 PolarHBondContact O-N 3.1Å; N822-N826 VanDerWaalsContact O-N 3.13Å; N822-N826 PolarHBondContact O-ND2 3.07Å; N822-V860 WeakPolarHBondContact OD1-CG1 3.28Å |
| 823 | Q | 86.8 | Confident | 83 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 14% | 0.14 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -45.8 | 179.4 | -176 | 169.9 | -16.1 | 0 | 0 | 111.5 | L772 R782 H819 F820 I825 N826 D827 | L772-Q823 VanDerWaalsContact CD1-NE2 3.32Å; R782-Q823 VanDerWaalsContact CD-NE2 3.29Å; H819-Q823 PolarHBondContact NE2-OE1 3.35Å; H819-Q823 WeakPolarHBondContact O-CB 3.38Å; H819-Q823 PolarHBondContact O-N 3.32Å; F820-Q823 PolarHBondContact O-N 3.26Å; Q823-I825 VanDerWaalsContact C-N 3.34Å; Q823-I825 PolarHBondContact O-N 3.45Å; Q823-N826 PolarHBondContact O-N 3.06Å; Q823-D827 WeakPolarHBondContact CG-OD2 3.47Å; Q823-D827 WeakPolarHBondContact O-CB 3.43Å; Q823-D827 PolarHBondContact O-N 3.32Å |
| 824 | W | 91 | Very high | 84.3 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.5 | -45.3 | 177.4 | -179.6 | 17.7 | 0 | 0 | 0 | 112.4 | L786 I790 L793 F820 N826 D827 T828 C840 L844 L847 | L786-W824 HydrophobicContact CD2-CB 4.3Å; I790-W824 HydrophobicContact CB-CZ2 4.49Å; I790-W824 HydrophobicContact CD1-CD2 4.08Å; I790-W824 HydrophobicContact CD1-CG 4.45Å; I790-W824 HydrophobicContact CD1-CH2 4.31Å; I790-W824 HydrophobicContact CD1-CZ2 3.52Å; I790-W824 VanDerWaalsContact CD1-NE1 3.34Å; I790-W824 HydrophobicContact CG1-CD2 4.15Å; I790-W824 HydrophobicContact CG1-CE3 4.41Å; I790-W824 HydrophobicContact CG1-CH2 3.8Å; I790-W824 HydrophobicContact CG1-CZ2 3.52Å; I790-W824 HydrophobicContact CG1-CZ3 4.25Å; I790-W824 HydrophobicContact CG2-CH2 4.32Å; I790-W824 HydrophobicContact CG2-CZ2 4.16Å; L793-W824 HydrophobicContact CD2-CH2 4.21Å; L793-W824 HydrophobicContact CD2-CZ3 4.21Å; F820-W824 AromaticContact CE1-CE3 3.68Å; F820-W824 HydrophobicContact CE1-CE3 3.68Å; F820-W824 HydrophobicContact CE1-CZ3 4.07Å; F820-W824 HydrophobicContact CE2-CB 4.5Å; F820-W824 HydrophobicContact CZ-CD2 4.2Å; F820-W824 AromaticContact CZ-CE3 3.63Å; F820-W824 HydrophobicContact CZ-CE3 3.63Å; F820-W824 HydrophobicContact CZ-CZ3 4.12Å; F820-W824 VanDerWaalsContact O-CB 3.31Å; F820-W824 WeakPolarHBondContact O-CB 3.31Å; F820-W824 PolarHBondContact O-N 3.25Å; W824-N826 PolarHBondContact O-N 2.89Å; W824-D827 PolarHBondContact O-N 3.37Å; W824-T828 PolarHBondContact O-N 3.43Å; W824-T828 PolarHBondContact O-OG1 3.49Å; W824-C840 PolarHBondContact NE1-SG 3.39Å; W824-L844 HydrophobicContact CD2-CD2 4.14Å; W824-L844 HydrophobicContact CE3-CD2 4.33Å; W824-L844 HydrophobicContact CH2-CD2 3.86Å; W824-L844 HydrophobicContact CH2-CG 4.13Å; W824-L844 HydrophobicContact CZ2-CB 4.44Å; W824-L844 HydrophobicContact CZ2-CD2 3.6Å; W824-L844 HydrophobicContact CZ2-CG 3.6Å; W824-L844 HydrophobicContact CZ3-CD2 4.21Å; W824-L847 HydrophobicContact CE3-CD2 4.29Å; W824-L847 HydrophobicContact CZ3-CB 4.44Å; W824-L847 HydrophobicContact CZ3-CD1 4.47Å; W824-L847 HydrophobicContact CZ3-CD2 3.84Å; W824-L847 HydrophobicContact CZ3-CG 4.49Å |
| 825 | I | 90.2 | Very high | 85.6 | Confident | 9 Ų | 9 | 32.4 Ų | 32.4 | 5% | 0.046 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.2 | -43 | 178.2 | -65.9 | -67.1 | 0 | 0 | 0 | 111.4 | I821 Q823 D827 T828 L844 V860 Q863 I864 | I821-I825 VanDerWaalsContact O-CG1 3.31Å; I821-I825 WeakPolarHBondContact O-CG1 3.32Å; I821-I825 PolarHBondContact O-N 3.28Å; I821-I825 VanDerWaalsContact O-N 3.15Å; Q823-I825 VanDerWaalsContact C-N 3.34Å; Q823-I825 PolarHBondContact O-N 3.45Å; I825-D827 VanDerWaalsContact C-N 3.32Å; I825-D827 PolarHBondContact O-N 3.07Å; I825-T828 PolarHBondContact O-N 3.16Å; I825-T828 PolarHBondContact O-OG1 3.33Å; I825-L844 HydrophobicContact CD1-CD2 3.8Å; I825-V860 HydrophobicContact CG1-CB 4.32Å; I825-V860 HydrophobicContact CG1-CG2 4.26Å; I825-Q863 HydrophobicContact CG2-CB 3.82Å; I825-I864 HydrophobicContact CD1-CG1 4.31Å |
| 826 | N | 88.5 | Confident | 86.4 | Confident | 110 Ų | 110 | 28.7 Ų | 28.7 | 59% | 0.588 | 14% | 0.142 | S | C | * | . | H | α-helix | trans | -65.4 | -33.5 | 177.9 | -68.8 | -21 | 0 | 0 | 0 | 112.9 | N822 Q823 W824 | N822-N826 PolarHBondContact O-N 3.1Å; N822-N826 VanDerWaalsContact O-N 3.13Å; N822-N826 PolarHBondContact O-ND2 3.07Å; Q823-N826 PolarHBondContact O-N 3.06Å; W824-N826 PolarHBondContact O-N 2.89Å |
| 827 | D | 88.8 | Confident | 86.9 | Confident | 15 Ų | 15 | 29.4 Ų | 29.4 | 8% | 0.08 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 5.4 | -177.4 | -74.4 | -38.8 | 0 | 0 | 0 | 113.6 | R782 L786 Q823 W824 I825 E829 F830 F831 | R782-D827 WeakPolarHBondContact CD-OD2 3.35Å; R782-D827 WeakPolarHBondContact CG-OD2 3.36Å; R782-D827 IonicContact CZ-OD1 3.46Å; R782-D827 IonicContact NE-OD1 2.81Å; R782-D827 PolarHBondContact NE-OD1 2.8Å; R782-D827 IonicContact NE-OD2 2.81Å; R782-D827 PolarHBondContact NE-OD2 3.31Å; R782-D827 IonicContact NH2-OD1 2.68Å; R782-D827 PolarHBondContact NH2-OD1 3.29Å; R782-D827 VanDerWaalsContact NH2-OD1 3.15Å; L786-D827 HydrophobicContact CD1-CB 4.02Å; Q823-D827 WeakPolarHBondContact CG-OD2 3.47Å; Q823-D827 WeakPolarHBondContact O-CB 3.43Å; Q823-D827 PolarHBondContact O-N 3.32Å; W824-D827 PolarHBondContact O-N 3.37Å; I825-D827 VanDerWaalsContact C-N 3.32Å; I825-D827 PolarHBondContact O-N 3.07Å; D827-E829 PolarHBondContact O-N 3.4Å; D827-E829 VanDerWaalsContact O-N 3.13Å; D827-F830 HydrophobicContact CB-CD2 4.17Å; D827-F830 PolarHBondContact O-N 3.41Å; D827-F831 WeakPolarHBondContact O-CD2 3.44Å |
| 828 | T | 88.2 | Confident | 87.3 | Confident | 4 Ų | 4 | 29.8 Ų | 29.8 | 3% | 0.025 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -53 | -38.2 | -176.6 | -55.3 | 0 | 0 | 0 | 0 | 112.7 | W824 I825 F830 F831 S867 L871 | W824-T828 PolarHBondContact O-N 3.43Å; W824-T828 PolarHBondContact O-OG1 3.49Å; I825-T828 PolarHBondContact O-N 3.16Å; I825-T828 PolarHBondContact O-OG1 3.33Å; T828-F830 PolarHBondContact O-N 3.11Å; T828-F831 PolarHBondContact O-N 2.84Å; T828-S867 PolarHBondContact OG1-OG 3.07Å; T828-L871 HydrophobicContact CG2-CD1 3.88Å; T828-L871 HydrophobicContact CG2-CD2 3.89Å; T828-L871 HydrophobicContact CG2-CG 3.78Å |
| 829 | E | 85.9 | Confident | 87.7 | Confident | 120 Ų | 120 | 29.6 Ų | 29.6 | 56% | 0.561 | 14% | 0.144 | S | C | * | . | G | 310 helix | trans | -67.5 | -21.8 | -177.7 | 64.9 | -173.7 | 175.9 | 0 | 0 | 113.8 | D827 F831 L870 | D827-E829 PolarHBondContact O-N 3.4Å; D827-E829 VanDerWaalsContact O-N 3.13Å; E829-F831 VanDerWaalsContact C-N 3.32Å; E829-L870 HydrophobicContact CB-CD2 4.11Å |
| 830 | F | 87.2 | Confident | 88.2 | Confident | 74 Ų | 74 | 26.3 Ų | 26.3 | 33% | 0.325 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -88 | 4.6 | -180 | -55.2 | -65.5 | 0 | 0 | 0 | 113.6 | T783 D827 T828 L832 | T783-F830 PolarHBondContact OG1-O 2.95Å; D827-F830 HydrophobicContact CB-CD2 4.17Å; D827-F830 PolarHBondContact O-N 3.41Å; T828-F830 PolarHBondContact O-N 3.11Å; F830-L832 PolarHBondContact O-N 3.4Å |
| 831 | F | 87.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | trans | -81.4 | 90.1 | 168.8 | -73.6 | -106.2 | 0 | 0 | 0 | 108.5 | T783 L786 Q787 I790 D827 T828 E829 D836 R837 C840 L871 | T783-F831 HydrophobicContact CG2-CD1 3.55Å; T783-F831 HydrophobicContact CG2-CD2 3.92Å; T783-F831 HydrophobicContact CG2-CE1 3.57Å; T783-F831 HydrophobicContact CG2-CE2 3.93Å; T783-F831 HydrophobicContact CG2-CG 3.74Å; T783-F831 HydrophobicContact CG2-CZ 3.76Å; L786-F831 HydrophobicContact CB-CZ 4.24Å; L786-F831 HydrophobicContact CD1-CE2 4.49Å; L786-F831 HydrophobicContact CD1-CZ 4.48Å; Q787-F831 HydrophobicContact CG-CD1 4.47Å; Q787-F831 HydrophobicContact CG-CE1 3.72Å; I790-F831 HydrophobicContact CD1-CE1 4.05Å; I790-F831 HydrophobicContact CD1-CZ 3.93Å; D827-F831 WeakPolarHBondContact O-CD2 3.44Å; T828-F831 PolarHBondContact O-N 2.84Å; E829-F831 VanDerWaalsContact C-N 3.32Å; F831-D836 HydrophobicContact CB-CB 4.18Å; F831-D836 HydrophobicContact CD1-CB 3.96Å; F831-D836 WeakPolarHBondContact CD1-O 3.5Å; F831-R837 HydrophobicContact CB-CG 4.42Å; F831-R837 WeakPolarHBondContact O-CG 3.36Å; F831-R837 PolarHBondContact O-NE 3.37Å; F831-C840 HydrophobicContact CD1-CB 3.62Å; F831-C840 HydrophobicContact CE1-CB 3.84Å; F831-C840 HydrophobicContact CG-CB 4.07Å; F831-C840 HydrophobicContact CZ-CB 4.47Å; F831-L871 HydrophobicContact CB-CD2 3.92Å | ||
| 832 | L | 83.8 | Confident | 88.7 | Confident | 72 Ų | 72 | 26 Ų | 26 | 38% | 0.377 | 13% | 0.127 | S | C | . | . | trans | -94 | -27.4 | -171 | -60.6 | 179.8 | 0 | 0 | 0 | 113.6 | F830 R837 | F830-L832 PolarHBondContact O-N 3.4Å; L832-R837 PolarHBondContact O-NH1 2.84Å; L832-R837 PolarHBondContact O-NH2 3.34Å; L832-R837 VanDerWaalsContact O-NH2 3.14Å | ||
| 833 | G | 83.1 | Confident | 88.9 | Confident | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -74.6 | 158.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | D836 R837 E953 | G833-D836 WeakPolarHBondContact CA-OD2 3.36Å; G833-D836 PolarHBondContact N-OD2 3.07Å; G833-D836 VanDerWaalsContact N-OD2 3.08Å; G833-D836 PolarHBondContact O-N 3.42Å; G833-R837 WeakPolarHBondContact O-CB 3.28Å; G833-R837 VanDerWaalsContact O-CG 3.27Å; G833-R837 WeakPolarHBondContact O-CG 3.35Å; G833-R837 PolarHBondContact O-N 3.48Å; G833-E953 WeakPolarHBondContact CA-OE1 3.37Å |
| 834 | F | 85.1 | Confident | 89.2 | Confident | 17 Ų | 17 | 22.2 Ų | 22.2 | 8% | 0.075 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.8 | -52.8 | 171.1 | -178.1 | -90.5 | 0 | 0 | 0 | 111 | D836 K838 L875 M878 Y879 E953 | F834-D836 VanDerWaalsContact C-N 3.33Å; F834-D836 PolarHBondContact O-N 3.04Å; F834-K838 WeakPolarHBondContact O-CB 3.29Å; F834-K838 PolarHBondContact O-N 3.35Å; F834-K838 VanDerWaalsContact O-N 3.12Å; F834-L875 HydrophobicContact CD2-CD2 3.69Å; F834-L875 HydrophobicContact CE2-CD2 3.92Å; F834-L875 HydrophobicContact CG-CD2 4.28Å; F834-M878 HydrophobicContact CB-CE 4.21Å; F834-M878 HydrophobicContact CB-SD 4.06Å; F834-Y879 HydrophobicContact CE2-CD1 4.17Å; F834-Y879 HydrophobicContact CE2-CD2 4.43Å; F834-Y879 AromaticContact CE2-CE1 3.61Å; F834-Y879 HydrophobicContact CE2-CE1 3.61Å; F834-Y879 AromaticContact CE2-CE2 3.89Å; F834-Y879 HydrophobicContact CE2-CE2 3.89Å; F834-Y879 AromaticContact CE2-CZ 3.45Å; F834-Y879 VanDerWaalsContact CE2-CZ 3.45Å; F834-Y879 AromaticContact CZ-CE1 3.77Å; F834-Y879 HydrophobicContact CZ-CE1 3.77Å; F834-Y879 HydrophobicContact CZ-CE2 4.37Å; F834-Y879 AromaticContact CZ-CZ 3.57Å; F834-Y879 WeakPolarHBondContact CZ-OH 3.32Å; F834-E953 PolarHBondContact N-OE1 3.05Å |
| 835 | H | 88.9 | Confident | 89.2 | Confident | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.019 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60.1 | -45.5 | 175.8 | 177.4 | 82.8 | 0 | 0 | 0 | 110.9 | K743 E746 R837 K838 M839 T957 D960 | K743-H835 PolarHBondContact NZ-CD2 3Å; K743-H835 PolarHBondContact NZ-NE2 3.14Å; K743-H835 VanDerWaalsContact NZ-NE2 3.11Å; E746-H835 IonicContact OE1-NE2 2.71Å; E746-H835 PolarHBondContact OE1-NE2 3.23Å; E746-H835 IonicContact OE2-NE2 3.49Å; E746-H835 PolarHBondContact OE2-NE2 3.47Å; H835-R837 PolarHBondContact O-N 2.87Å; H835-K838 WeakPolarHBondContact O-CB 3.48Å; H835-K838 PolarHBondContact O-N 3.45Å; H835-K838 VanDerWaalsContact O-N 3.14Å; H835-M839 VanDerWaalsContact NE2-CG 3.32Å; H835-M839 WeakPolarHBondContact NE2-CG 3.49Å; H835-M839 WeakPolarHBondContact O-CB 3.44Å; H835-M839 PolarHBondContact O-N 3.15Å; H835-T957 PolarHBondContact CE1-OG1 3.45Å; H835-D960 IonicContact CE1-OD1 3.81Å; H835-D960 IonicContact CE1-OD2 2.87Å; H835-D960 IonicContact CG-OD1 3.32Å; H835-D960 IonicContact CG-OD2 2.67Å; H835-D960 IonicContact ND1-OD1 2.74Å; H835-D960 PolarHBondContact ND1-OD1 2.86Å; H835-D960 IonicContact ND1-OD2 3.61Å; H835-D960 PolarHBondContact ND1-OD2 2.94Å |
| 836 | D | 89.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -57.1 | -49 | -177.4 | -57 | -12.2 | 0 | 0 | 0 | 112.1 | Q787 F831 G833 F834 M839 C840 | Q787-D836 PolarHBondContact NE2-OD1 3.21Å; F831-D836 HydrophobicContact CB-CB 4.18Å; F831-D836 HydrophobicContact CD1-CB 3.96Å; F831-D836 WeakPolarHBondContact CD1-O 3.5Å; G833-D836 WeakPolarHBondContact CA-OD2 3.36Å; G833-D836 PolarHBondContact N-OD2 3.07Å; G833-D836 VanDerWaalsContact N-OD2 3.08Å; G833-D836 PolarHBondContact O-N 3.42Å; F834-D836 VanDerWaalsContact C-N 3.33Å; F834-D836 PolarHBondContact O-N 3.04Å; D836-M839 PolarHBondContact O-N 3.48Å; D836-C840 VanDerWaalsContact O-CB 3.23Å; D836-C840 WeakPolarHBondContact O-CB 3.22Å; D836-C840 PolarHBondContact O-N 3.05Å |
| 837 | R | 90.4 | Very high | 89.2 | Confident | 21 Ų | 21 | 18.6 Ų | 18.6 | 8% | 0.079 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.5 | -42.8 | 178.2 | -70 | 177.4 | -177.4 | 126.1 | -0.8 | 111.1 | F831 L832 G833 H835 C840 I841 L871 L875 M878 | F831-R837 HydrophobicContact CB-CG 4.42Å; F831-R837 WeakPolarHBondContact O-CG 3.36Å; F831-R837 PolarHBondContact O-NE 3.37Å; L832-R837 PolarHBondContact O-NH1 2.84Å; L832-R837 PolarHBondContact O-NH2 3.34Å; L832-R837 VanDerWaalsContact O-NH2 3.14Å; G833-R837 WeakPolarHBondContact O-CB 3.28Å; G833-R837 VanDerWaalsContact O-CG 3.27Å; G833-R837 WeakPolarHBondContact O-CG 3.35Å; G833-R837 PolarHBondContact O-N 3.48Å; H835-R837 PolarHBondContact O-N 2.87Å; R837-C840 PolarHBondContact O-N 3.47Å; R837-I841 WeakPolarHBondContact O-CD1 3.38Å; R837-I841 VanDerWaalsContact O-CG1 3.22Å; R837-I841 WeakPolarHBondContact O-CG1 3.13Å; R837-I841 PolarHBondContact O-N 3.38Å; R837-L871 HydrophobicContact CB-CB 4.48Å; R837-L871 HydrophobicContact CB-CD2 4.31Å; R837-L871 HydrophobicContact CG-CD2 3.92Å; R837-L875 HydrophobicContact CB-CD1 4.28Å; R837-L875 HydrophobicContact CB-CD2 3.9Å; R837-L875 HydrophobicContact CB-CG 3.84Å; R837-M878 PolarHBondContact NH1-SD 2.91Å |
| 838 | K | 90.8 | Very high | 89.2 | Confident | 14 Ų | 14 | 18 Ų | 18 | 6% | 0.061 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -59.9 | -49.7 | 177.4 | -176.2 | 172.6 | -174.5 | 170.8 | 0 | 111.4 | F834 H835 C840 I841 I842 L959 E965 E967 | F834-K838 WeakPolarHBondContact O-CB 3.29Å; F834-K838 PolarHBondContact O-N 3.35Å; F834-K838 VanDerWaalsContact O-N 3.12Å; H835-K838 WeakPolarHBondContact O-CB 3.48Å; H835-K838 PolarHBondContact O-N 3.45Å; H835-K838 VanDerWaalsContact O-N 3.14Å; K838-C840 PolarHBondContact O-N 2.74Å; K838-I841 PolarHBondContact O-N 2.97Å; K838-I842 HydrophobicContact CG-CD1 4.09Å; K838-I842 WeakPolarHBondContact O-CG1 3.48Å; K838-I842 PolarHBondContact O-N 2.98Å; K838-L959 WeakPolarHBondContact CE-O 3.34Å; K838-L959 PolarHBondContact NZ-O 3.48Å; K838-E965 WeakPolarHBondContact CE-O 3.46Å; K838-E965 PolarHBondContact NZ-O 2.89Å; K838-E967 VanDerWaalsContact CE-OE2 3.28Å; K838-E967 WeakPolarHBondContact CE-OE2 3.46Å; K838-E967 HydrophobicContact CG-CB 4.21Å; K838-E967 IonicContact NZ-OE2 3.21Å |
| 839 | M | 91.6 | Very high | 89.2 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.005 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 177.3 | -83.8 | -56.4 | -70.3 | 0 | 0 | 112.5 | L750 I790 A791 H835 D836 I842 G843 L959 | L750-M839 HydrophobicContact CD1-CE 4.05Å; L750-M839 HydrophobicContact CD1-SD 4Å; L750-M839 HydrophobicContact CD2-CE 3.94Å; L750-M839 HydrophobicContact CD2-SD 4.31Å; L750-M839 HydrophobicContact CG-CE 4.49Å; I790-M839 HydrophobicContact CG2-CE 4.38Å; I790-M839 WeakPolarHBondContact CG2-O 3.46Å; A791-M839 HydrophobicContact CB-CE 3.85Å; H835-M839 VanDerWaalsContact NE2-CG 3.32Å; H835-M839 WeakPolarHBondContact NE2-CG 3.49Å; H835-M839 WeakPolarHBondContact O-CB 3.44Å; H835-M839 PolarHBondContact O-N 3.15Å; D836-M839 PolarHBondContact O-N 3.48Å; M839-I842 PolarHBondContact O-N 3.17Å; M839-G843 PolarHBondContact O-N 3.25Å; M839-L959 HydrophobicContact CE-CD1 4.37Å; M839-L959 HydrophobicContact CG-CD1 4.48Å; M839-L959 HydrophobicContact SD-CD1 3.1Å; M839-L959 WeakPolarHBondContact SD-CD1 3.26Å |
| 840 | C | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 178.4 | -166.6 | 0 | 0 | 0 | 0 | 111.9 | W824 F831 D836 R837 K838 G843 L844 L871 | W824-C840 PolarHBondContact NE1-SG 3.39Å; F831-C840 HydrophobicContact CD1-CB 3.62Å; F831-C840 HydrophobicContact CE1-CB 3.84Å; F831-C840 HydrophobicContact CG-CB 4.07Å; F831-C840 HydrophobicContact CZ-CB 4.47Å; D836-C840 VanDerWaalsContact O-CB 3.23Å; D836-C840 WeakPolarHBondContact O-CB 3.22Å; D836-C840 PolarHBondContact O-N 3.05Å; R837-C840 PolarHBondContact O-N 3.47Å; K838-C840 PolarHBondContact O-N 2.74Å; C840-G843 PolarHBondContact O-N 3.22Å; C840-L844 WeakPolarHBondContact O-CB 3.34Å; C840-L844 WeakPolarHBondContact O-CG 3.45Å; C840-L844 PolarHBondContact O-N 3.37Å; C840-L871 HydrophobicContact CB-CD1 3.77Å; C840-L871 HydrophobicContact CB-CD2 4.44Å; C840-L871 VanDerWaalsContact SG-CD1 3.55Å |
| 841 | I | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.9 | -48.2 | 175.2 | -69.6 | 164.5 | 0 | 0 | 0 | 111.3 | R837 K838 G843 L844 T845 I868 L871 F872 L875 E967 F971 | R837-I841 WeakPolarHBondContact O-CD1 3.38Å; R837-I841 VanDerWaalsContact O-CG1 3.22Å; R837-I841 WeakPolarHBondContact O-CG1 3.13Å; R837-I841 PolarHBondContact O-N 3.38Å; K838-I841 PolarHBondContact O-N 2.97Å; I841-G843 VanDerWaalsContact C-N 3.32Å; I841-G843 PolarHBondContact O-N 3.42Å; I841-L844 PolarHBondContact O-N 3.01Å; I841-T845 WeakPolarHBondContact O-CB 3.25Å; I841-T845 PolarHBondContact O-N 2.95Å; I841-T845 PolarHBondContact O-OG1 3.46Å; I841-I868 HydrophobicContact CG2-CG2 4.33Å; I841-L871 HydrophobicContact CD1-CB 3.78Å; I841-L871 HydrophobicContact CG1-CB 3.62Å; I841-L871 HydrophobicContact CG1-CD1 3.8Å; I841-L871 HydrophobicContact CG1-CG 4.38Å; I841-F872 HydrophobicContact CD1-CD1 3.96Å; I841-F872 HydrophobicContact CD1-CD2 4.13Å; I841-F872 HydrophobicContact CD1-CE1 3.99Å; I841-F872 HydrophobicContact CD1-CE2 4.16Å; I841-F872 HydrophobicContact CD1-CG 4.03Å; I841-F872 HydrophobicContact CD1-CZ 4.09Å; I841-F872 HydrophobicContact CG1-CE2 4.5Å; I841-F872 HydrophobicContact CG2-CE2 3.85Å; I841-F872 HydrophobicContact CG2-CZ 3.77Å; I841-L875 HydrophobicContact CD1-CD1 3.49Å; I841-L875 VanDerWaalsContact CD1-CD1 3.49Å; I841-E967 HydrophobicContact CG2-CB 4.27Å; I841-F971 HydrophobicContact CG2-CB 4.39Å |
| 842 | I | 91.9 | Very high | 88.4 | Confident | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.6 | -44.7 | 178.4 | -67.8 | 171.6 | 0 | 0 | 0 | 109.7 | Y794 K838 M839 T845 M846 L959 | Y794-I842 HydrophobicContact CD2-CG2 3.38Å; Y794-I842 HydrophobicContact CE2-CG2 3.52Å; Y794-I842 HydrophobicContact CG-CG2 4.21Å; K838-I842 HydrophobicContact CG-CD1 4.09Å; K838-I842 WeakPolarHBondContact O-CG1 3.48Å; K838-I842 PolarHBondContact O-N 2.98Å; M839-I842 PolarHBondContact O-N 3.17Å; I842-T845 WeakPolarHBondContact O-CB 3.41Å; I842-T845 PolarHBondContact O-N 2.84Å; I842-M846 HydrophobicContact CG2-CE 4.5Å; I842-M846 WeakPolarHBondContact O-CG 3.45Å; I842-M846 PolarHBondContact O-N 3.2Å; I842-L959 HydrophobicContact CD1-CD1 4.46Å; I842-L959 HydrophobicContact CD1-CD2 4.38Å |
| 843 | G | 91.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -55.6 | -55.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L793 M839 C840 I841 T845 M846 L847 | L793-G843 WeakPolarHBondContact CD2-O 3.34Å; M839-G843 PolarHBondContact O-N 3.25Å; C840-G843 PolarHBondContact O-N 3.22Å; I841-G843 VanDerWaalsContact C-N 3.32Å; I841-G843 PolarHBondContact O-N 3.42Å; G843-T845 PolarHBondContact O-N 3.1Å; G843-M846 PolarHBondContact O-N 2.74Å; G843-M846 VanDerWaalsContact O-N 3.12Å; G843-L847 WeakPolarHBondContact O-CB 3.17Å; G843-L847 PolarHBondContact O-N 3.05Å |
| 844 | L | 92.1 | Very high | 88.2 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62 | -34.5 | -179.9 | -70.9 | 175 | 0 | 0 | 0 | 111 | W824 I825 C840 I841 L847 M848 I864 I868 L871 | W824-L844 HydrophobicContact CD2-CD2 4.14Å; W824-L844 HydrophobicContact CE3-CD2 4.33Å; W824-L844 HydrophobicContact CH2-CD2 3.86Å; W824-L844 HydrophobicContact CH2-CG 4.13Å; W824-L844 HydrophobicContact CZ2-CB 4.44Å; W824-L844 HydrophobicContact CZ2-CD2 3.6Å; W824-L844 HydrophobicContact CZ2-CG 3.6Å; W824-L844 HydrophobicContact CZ3-CD2 4.21Å; I825-L844 HydrophobicContact CD1-CD2 3.8Å; C840-L844 WeakPolarHBondContact O-CB 3.34Å; C840-L844 WeakPolarHBondContact O-CG 3.45Å; C840-L844 PolarHBondContact O-N 3.37Å; I841-L844 PolarHBondContact O-N 3.01Å; L844-L847 HydrophobicContact CD2-CD2 4.33Å; L844-L847 WeakPolarHBondContact O-CB 2.98Å; L844-L847 PolarHBondContact O-N 2.95Å; L844-M848 VanDerWaalsContact O-CG 3.29Å; L844-M848 WeakPolarHBondContact O-CG 3.43Å; L844-M848 PolarHBondContact O-N 3.23Å; L844-I864 HydrophobicContact CB-CG2 4.35Å; L844-I868 HydrophobicContact CB-CD1 3.81Å; L844-I868 HydrophobicContact CB-CG1 3.78Å; L844-I868 HydrophobicContact CD1-CG1 3.73Å; L844-I868 HydrophobicContact CG-CG1 4.42Å; L844-L871 HydrophobicContact CD1-CD1 4.16Å |
| 845 | T | 92.1 | Very high | 88 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 173.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | I841 I842 G843 L847 M848 E849 V970 A974 | I841-T845 WeakPolarHBondContact O-CB 3.25Å; I841-T845 PolarHBondContact O-N 2.95Å; I841-T845 PolarHBondContact O-OG1 3.46Å; I842-T845 WeakPolarHBondContact O-CB 3.41Å; I842-T845 PolarHBondContact O-N 2.84Å; G843-T845 PolarHBondContact O-N 3.1Å; T845-L847 VanDerWaalsContact C-N 3.32Å; T845-L847 PolarHBondContact O-N 3Å; T845-M848 WeakPolarHBondContact O-CB 3.48Å; T845-M848 PolarHBondContact O-N 2.97Å; T845-E849 PolarHBondContact O-N 3.42Å; T845-V970 HydrophobicContact CG2-CG1 4.03Å; T845-A974 HydrophobicContact CG2-CB 3.21Å |
| 846 | M | 89.8 | Confident | 87.7 | Confident | 37 Ų | 37 | 26.9 Ų | 26.9 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -37.4 | 176.5 | -67.5 | -62.4 | 156.9 | 0 | 0 | 112 | L793 Y794 I842 G843 M848 E849 L850 V970 | L793-M846 HydrophobicContact CD2-CB 4.26Å; L793-M846 HydrophobicContact CG-CB 4.19Å; Y794-M846 HydrophobicContact CD2-CE 4.15Å; Y794-M846 HydrophobicContact CD2-CG 4.23Å; Y794-M846 HydrophobicContact CE2-CE 4.15Å; I842-M846 HydrophobicContact CG2-CE 4.5Å; I842-M846 WeakPolarHBondContact O-CG 3.45Å; I842-M846 PolarHBondContact O-N 3.2Å; G843-M846 PolarHBondContact O-N 2.74Å; G843-M846 VanDerWaalsContact O-N 3.12Å; M846-M848 VanDerWaalsContact C-N 3.3Å; M846-M848 PolarHBondContact O-N 3.13Å; M846-E849 PolarHBondContact O-N 3.49Å; M846-L850 PolarHBondContact O-N 2.9Å; M846-V970 HydrophobicContact CE-CG1 4.23Å |
| 847 | L | 88.6 | Confident | 87.5 | Confident | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.026 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -61 | -39.5 | 176.1 | -168.6 | 71.4 | 0 | 0 | 0 | 111.5 | L793 I821 W824 G843 L844 T845 E849 L850 L857 | L793-L847 HydrophobicContact CD2-CB 4.09Å; L793-L847 HydrophobicContact CD2-CD1 4.25Å; I821-L847 HydrophobicContact CD1-CD1 4.45Å; W824-L847 HydrophobicContact CE3-CD2 4.29Å; W824-L847 HydrophobicContact CZ3-CB 4.44Å; W824-L847 HydrophobicContact CZ3-CD1 4.47Å; W824-L847 HydrophobicContact CZ3-CD2 3.84Å; W824-L847 HydrophobicContact CZ3-CG 4.49Å; G843-L847 WeakPolarHBondContact O-CB 3.17Å; G843-L847 PolarHBondContact O-N 3.05Å; L844-L847 HydrophobicContact CD2-CD2 4.33Å; L844-L847 WeakPolarHBondContact O-CB 2.98Å; L844-L847 PolarHBondContact O-N 2.95Å; T845-L847 VanDerWaalsContact C-N 3.32Å; T845-L847 PolarHBondContact O-N 3Å; L847-E849 VanDerWaalsContact C-N 3.32Å; L847-E849 PolarHBondContact O-N 2.88Å; L847-L850 HydrophobicContact CD1-CD1 3.79Å; L847-L850 WeakPolarHBondContact O-CG 3.32Å; L847-L850 PolarHBondContact O-N 2.76Å; L847-L857 HydrophobicContact CD1-CD1 4.36Å; L847-L857 HydrophobicContact CD2-CD1 3.53Å; L847-L857 HydrophobicContact CG-CD1 3.63Å; L847-L857 HydrophobicContact CG-CD2 4.22Å; L847-L857 WeakPolarHBondContact O-CD2 3.28Å |
| 848 | M | 88.7 | Confident | 87.2 | Confident | 4 Ų | 4 | 30.7 Ų | 30.7 | 2% | 0.02 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68 | -28.4 | 176.7 | -71.1 | 168.9 | 46 | 0 | 0 | 113.8 | L844 T845 M846 I864 I865 I868 L975 I978 W985 L989 | L844-M848 VanDerWaalsContact O-CG 3.29Å; L844-M848 WeakPolarHBondContact O-CG 3.43Å; L844-M848 PolarHBondContact O-N 3.23Å; T845-M848 WeakPolarHBondContact O-CB 3.48Å; T845-M848 PolarHBondContact O-N 2.97Å; M846-M848 VanDerWaalsContact C-N 3.3Å; M846-M848 PolarHBondContact O-N 3.13Å; M848-I864 HydrophobicContact CG-CD1 4.34Å; M848-I864 HydrophobicContact CG-CG2 3.68Å; M848-I864 HydrophobicContact SD-CG2 3.54Å; M848-I864 VanDerWaalsContact SD-CG2 3.54Å; M848-I865 HydrophobicContact CE-CD1 3.65Å; M848-I865 HydrophobicContact SD-CD1 3.81Å; M848-I868 HydrophobicContact SD-CD1 3.79Å; M848-L975 HydrophobicContact CE-CD1 4.09Å; M848-I978 HydrophobicContact CB-CD1 3.8Å; M848-I978 HydrophobicContact CE-CD1 3.77Å; M848-W985 PolarHBondContact O-NE1 3.35Å; M848-L989 HydrophobicContact CE-CD1 3.85Å; M848-L989 HydrophobicContact CG-CD2 4.44Å |
| 849 | E | 88.1 | Confident | 86.9 | Confident | 56 Ų | 56 | 38.5 Ų | 38.5 | 26% | 0.262 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 2.4 | -178.8 | -67.9 | -160.9 | 112.5 | 0 | 0 | 114 | T845 M846 L847 A974 R977 I978 | T845-E849 PolarHBondContact O-N 3.42Å; M846-E849 PolarHBondContact O-N 3.49Å; L847-E849 VanDerWaalsContact C-N 3.32Å; L847-E849 PolarHBondContact O-N 2.88Å; E849-A974 HydrophobicContact CG-CB 3.85Å; E849-A974 WeakPolarHBondContact OE1-CA 3.37Å; E849-A974 WeakPolarHBondContact OE2-CB 3.09Å; E849-R977 IonicContact OE1-CZ 3.37Å; E849-R977 IonicContact OE1-NE 2.77Å; E849-R977 PolarHBondContact OE1-NE 3.27Å; E849-R977 IonicContact OE1-NH2 2.88Å; E849-R977 PolarHBondContact OE1-NH2 3.01Å; E849-R977 IonicContact OE2-CZ 2.73Å; E849-R977 IonicContact OE2-NH2 3.75Å; E849-R977 PolarHBondContact OE2-NH2 3.12Å; E849-I978 HydrophobicContact CG-CD1 4.14Å; E849-I978 HydrophobicContact CG-CG1 4.42Å |
| 850 | L | 85.6 | Confident | 86.7 | Confident | 15 Ų | 15 | 38.8 Ų | 38.8 | 8% | 0.079 | 21% | 0.208 | C | C | . | . | trans | -56.2 | 128.7 | 179.9 | -78.4 | 176.8 | 0 | 0 | 0 | 112 | L793 P797 I801 M846 L847 S852 L857 | L793-L850 HydrophobicContact CD1-CD2 4.36Å; P797-L850 HydrophobicContact CB-CD2 3.66Å; I801-L850 HydrophobicContact CD1-CD1 4.3Å; M846-L850 PolarHBondContact O-N 2.9Å; L847-L850 HydrophobicContact CD1-CD1 3.79Å; L847-L850 WeakPolarHBondContact O-CG 3.32Å; L847-L850 PolarHBondContact O-N 2.76Å; L850-S852 VanDerWaalsContact C-N 3.32Å; L850-S852 PolarHBondContact O-N 2.98Å; L850-L857 HydrophobicContact CD1-CD2 4.48Å | ||
| 851 | P | 77.9 | Confident | 86.3 | Confident | 134 Ų | 134 | 39 Ų | 39 | 87% | 0.87 | 21% | 0.21 | S | C | * | . | S | Bend | trans | -69.4 | -30 | -179 | 25.3 | -32.7 | 0 | 0 | 0 | 112.8 | ||
| 852 | S | 80.9 | Confident | 86 | Confident | 96 Ų | 96 | 40.3 Ų | 40.3 | 67% | 0.671 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -119.5 | 112.4 | 172.9 | -174.7 | 0 | 0 | 0 | 0 | 109.1 | L850 P854 | L850-S852 VanDerWaalsContact C-N 3.32Å; L850-S852 PolarHBondContact O-N 2.98Å; S852-P854 WeakPolarHBondContact O-CD 3.33Å |
| 853 | R | 80.9 | Confident | 85.8 | Confident | 82 Ų | 82 | 44.8 Ų | 44.8 | 31% | 0.309 | 24% | 0.244 | S | C | . | . | trans | -91.4 | 120.6 | -172.9 | -69.4 | 177.8 | -80 | 120.2 | 7.9 | 110.7 | L857 E858 W985 | R853-L857 HydrophobicContact CB-CD2 4.27Å; R853-L857 HydrophobicContact CG-CD2 4.08Å; R853-E858 IonicContact CZ-OE1 2.63Å; R853-E858 IonicContact NH1-OE1 3.61Å; R853-E858 PolarHBondContact NH1-OE1 3.45Å; R853-W985 VanDerWaalsContact NH1-CE3 3.3Å | ||
| 854 | P | 81.8 | Confident | 85.6 | Confident | 28 Ų | 28 | 44.8 Ų | 44.8 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | trans | -62.8 | 148.2 | 173.3 | -22.1 | 33.4 | 0 | 0 | 0 | 111.7 | I801 T817 S852 A856 L857 E858 | I801-P854 HydrophobicContact CD1-CG 4.38Å; T817-P854 HydrophobicContact CG2-CB 4.13Å; T817-P854 HydrophobicContact CG2-CG 3.99Å; S852-P854 WeakPolarHBondContact O-CD 3.33Å; P854-A856 PolarHBondContact O-N 2.8Å; P854-A856 VanDerWaalsContact O-N 3.09Å; P854-L857 WeakPolarHBondContact O-CB 3.48Å; P854-L857 PolarHBondContact O-N 3.37Å; P854-E858 PolarHBondContact O-N 3.42Å | ||
| 855 | A | 81.2 | Confident | 85.6 | Confident | 62 Ų | 62 | 44.8 Ų | 44.8 | 51% | 0.512 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.6 | -25.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 856 | A | 82.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 46.2 Ų | 46.2 | 4% | 0.041 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.2 | -38.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A818 I821 P854 E858 R859 V860 | A818-A856 HydrophobicContact CB-CB 3.64Å; I821-A856 HydrophobicContact CD1-CB 4.36Å; P854-A856 PolarHBondContact O-N 2.8Å; P854-A856 VanDerWaalsContact O-N 3.09Å; A856-E858 VanDerWaalsContact C-N 3.33Å; A856-E858 PolarHBondContact O-N 3.31Å; A856-R859 PolarHBondContact O-N 3.45Å; A856-V860 PolarHBondContact O-N 3.17Å |
| 857 | L | 84.7 | Confident | 85.5 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.1 | -38.3 | 178.7 | -176.3 | 60.5 | 0 | 0 | 0 | 111.8 | I821 L847 L850 R853 P854 R859 V860 A861 I864 W985 | I821-L857 HydrophobicContact CD1-CB 4.38Å; L847-L857 HydrophobicContact CD1-CD1 4.36Å; L847-L857 HydrophobicContact CD2-CD1 3.53Å; L847-L857 HydrophobicContact CG-CD1 3.63Å; L847-L857 HydrophobicContact CG-CD2 4.22Å; L847-L857 WeakPolarHBondContact O-CD2 3.28Å; L850-L857 HydrophobicContact CD1-CD2 4.48Å; R853-L857 HydrophobicContact CB-CD2 4.27Å; R853-L857 HydrophobicContact CG-CD2 4.08Å; P854-L857 WeakPolarHBondContact O-CB 3.48Å; P854-L857 PolarHBondContact O-N 3.37Å; L857-R859 VanDerWaalsContact C-N 3.26Å; L857-R859 PolarHBondContact O-N 3.3Å; L857-V860 HydrophobicContact CD1-CG2 4.32Å; L857-V860 WeakPolarHBondContact O-CG2 3.36Å; L857-V860 PolarHBondContact O-N 3.08Å; L857-A861 PolarHBondContact O-N 3.27Å; L857-I864 HydrophobicContact CD1-CD1 3.58Å; L857-W985 HydrophobicContact CD2-CZ2 4.48Å; L857-W985 HydrophobicContact CG-CH2 4.31Å; L857-W985 HydrophobicContact CG-CZ2 4.4Å |
| 858 | E | 83.6 | Confident | 85.6 | Confident | 105 Ų | 105 | 44.8 Ų | 44.8 | 49% | 0.491 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -66.5 | -28.2 | 178.1 | -63.2 | -166.2 | 150.1 | 0 | 0 | 112.7 | R853 P854 A856 W985 | R853-E858 IonicContact CZ-OE1 2.63Å; R853-E858 IonicContact NH1-OE1 3.61Å; R853-E858 PolarHBondContact NH1-OE1 3.45Å; P854-E858 PolarHBondContact O-N 3.42Å; A856-E858 VanDerWaalsContact C-N 3.33Å; A856-E858 PolarHBondContact O-N 3.31Å; E858-W985 HydrophobicContact CG-CZ3 4.42Å |
| 859 | R | 84.9 | Confident | 85.7 | Confident | 177 Ų | 177 | 44.8 Ų | 44.8 | 67% | 0.668 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -73.6 | -33.2 | 177 | -64.6 | -179.6 | -155.4 | 136.8 | 3.4 | 112.8 | A856 L857 | A856-R859 PolarHBondContact O-N 3.45Å; L857-R859 VanDerWaalsContact C-N 3.26Å; L857-R859 PolarHBondContact O-N 3.3Å |
| 860 | V | 87.1 | Confident | 85.7 | Confident | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -96.6 | 1.2 | -179.8 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | I821 N822 I825 A856 L857 G862 Q863 | I821-V860 HydrophobicContact CG2-CG2 3.57Å; N822-V860 WeakPolarHBondContact OD1-CG1 3.28Å; I825-V860 HydrophobicContact CG1-CB 4.32Å; I825-V860 HydrophobicContact CG1-CG2 4.26Å; A856-V860 PolarHBondContact O-N 3.17Å; L857-V860 HydrophobicContact CD1-CG2 4.32Å; L857-V860 WeakPolarHBondContact O-CG2 3.36Å; L857-V860 PolarHBondContact O-N 3.08Å; V860-G862 PolarHBondContact O-N 3.35Å; V860-Q863 PolarHBondContact O-N 3.39Å |
| 861 | A | 85.8 | Confident | 85.9 | Confident | 5 Ų | 5 | 45.4 Ų | 45.4 | 4% | 0.041 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -48.2 | -39.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L857 Q863 W985 L989 | L857-A861 PolarHBondContact O-N 3.27Å; A861-Q863 VanDerWaalsContact C-N 3.26Å; A861-Q863 PolarHBondContact O-N 3.34Å; A861-W985 HydrophobicContact CB-CH2 3.48Å; A861-W985 VanDerWaalsContact CB-CH2 3.48Å; A861-W985 HydrophobicContact CB-CZ3 3.59Å; A861-L989 WeakPolarHBondContact O-CD2 3.29Å |
| 862 | G | 84.9 | Confident | 86.4 | Confident | 27 Ų | 27 | 39.3 Ų | 39.3 | 28% | 0.278 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -72 | -12 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116 | V860 P866 P992 | V860-G862 PolarHBondContact O-N 3.35Å; G862-P866 WeakPolarHBondContact O-CD 3.32Å; G862-P866 WeakPolarHBondContact O-CG 3.41Å; G862-P992 VanDerWaalsContact O-CG 3.29Å; G862-P992 WeakPolarHBondContact O-CG 3.27Å |
| 863 | Q | 88.8 | Confident | 86.7 | Confident | 94 Ų | 94 | 38.2 Ų | 38.2 | 44% | 0.439 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -99.6 | -18.7 | -179.5 | -62.2 | 176.3 | 15.3 | 0 | 0 | 112.3 | I825 V860 A861 P866 S867 | I825-Q863 HydrophobicContact CG2-CB 3.82Å; V860-Q863 PolarHBondContact O-N 3.39Å; A861-Q863 VanDerWaalsContact C-N 3.26Å; A861-Q863 PolarHBondContact O-N 3.34Å; Q863-P866 WeakPolarHBondContact O-CD 3.38Å; Q863-S867 WeakPolarHBondContact O-CB 3.49Å; Q863-S867 PolarHBondContact O-N 3.4Å; Q863-S867 PolarHBondContact O-OG 2.85Å; Q863-S867 VanDerWaalsContact O-OG 3.12Å |
| 864 | I | 88.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.6 | -51.4 | -173.6 | -56.7 | 173.9 | 0 | 0 | 0 | 112.6 | I825 L844 M848 L857 S867 I868 L989 | I825-I864 HydrophobicContact CD1-CG1 4.31Å; L844-I864 HydrophobicContact CB-CG2 4.35Å; M848-I864 HydrophobicContact CG-CD1 4.34Å; M848-I864 HydrophobicContact CG-CG2 3.68Å; M848-I864 HydrophobicContact SD-CG2 3.54Å; M848-I864 VanDerWaalsContact SD-CG2 3.54Å; L857-I864 HydrophobicContact CD1-CD1 3.58Å; I864-S867 WeakPolarHBondContact O-CB 3.44Å; I864-S867 PolarHBondContact O-N 2.96Å; I864-I868 HydrophobicContact CG2-CD1 4.09Å; I864-I868 WeakPolarHBondContact O-CG1 3.33Å; I864-I868 PolarHBondContact O-N 3.43Å; I864-L989 HydrophobicContact CB-CD2 4.32Å; I864-L989 HydrophobicContact CD1-CD2 4.16Å |
| 865 | I | 90.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.1 | -45 | 179.6 | -55.1 | -63.7 | 0 | 0 | 0 | 111.2 | M848 S867 I868 L869 F971 L975 L989 L993 | M848-I865 HydrophobicContact CE-CD1 3.65Å; M848-I865 HydrophobicContact SD-CD1 3.81Å; I865-S867 VanDerWaalsContact C-N 3.32Å; I865-S867 PolarHBondContact O-N 3.2Å; I865-I868 PolarHBondContact O-N 3.13Å; I865-L869 HydrophobicContact CG2-CD1 4.21Å; I865-L869 HydrophobicContact CG2-CG 4.28Å; I865-L869 WeakPolarHBondContact O-CG 3.36Å; I865-L869 PolarHBondContact O-N 3.33Å; I865-F971 HydrophobicContact CD1-CE2 4.01Å; I865-F971 HydrophobicContact CD1-CZ 4.14Å; I865-L975 HydrophobicContact CD1-CD1 4.32Å; I865-L989 HydrophobicContact CG1-CB 3.97Å; I865-L989 HydrophobicContact CG1-CD2 4.36Å; I865-L993 HydrophobicContact CB-CD2 4.01Å; I865-L993 HydrophobicContact CG2-CD1 3.9Å; I865-L993 HydrophobicContact CG2-CD2 3.72Å; I865-L993 HydrophobicContact CG2-CG 4.4Å |
| 866 | P | 90.5 | Very high | 86.8 | Confident | 31 Ų | 31 | 35.2 Ų | 35.2 | 20% | 0.201 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -51.2 | -46.1 | 169.9 | -30.1 | 35.7 | 0 | 0 | 0 | 114.1 | G862 Q863 L869 L870 L993 | G862-P866 WeakPolarHBondContact O-CD 3.32Å; G862-P866 WeakPolarHBondContact O-CG 3.41Å; Q863-P866 WeakPolarHBondContact O-CD 3.38Å; P866-L869 PolarHBondContact O-N 2.95Å; P866-L870 PolarHBondContact O-N 3.41Å; P866-L993 HydrophobicContact CG-CD2 4Å |
| 867 | S | 90.4 | Very high | 86.4 | Confident | 12 Ų | 12 | 39.9 Ų | 39.9 | 8% | 0.084 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -46.4 | 175.9 | -73.3 | 0 | 0 | 0 | 0 | 112.2 | T828 Q863 I864 I865 L869 L870 L871 | T828-S867 PolarHBondContact OG1-OG 3.07Å; Q863-S867 WeakPolarHBondContact O-CB 3.49Å; Q863-S867 PolarHBondContact O-N 3.4Å; Q863-S867 PolarHBondContact O-OG 2.85Å; Q863-S867 VanDerWaalsContact O-OG 3.12Å; I864-S867 WeakPolarHBondContact O-CB 3.44Å; I864-S867 PolarHBondContact O-N 2.96Å; I865-S867 VanDerWaalsContact C-N 3.32Å; I865-S867 PolarHBondContact O-N 3.2Å; S867-L869 VanDerWaalsContact C-N 3.34Å; S867-L869 PolarHBondContact O-N 3.22Å; S867-L870 WeakPolarHBondContact O-CB 3.2Å; S867-L870 PolarHBondContact O-N 3.45Å; S867-L871 WeakPolarHBondContact O-CG 3.47Å; S867-L871 PolarHBondContact O-N 2.62Å; S867-L871 VanDerWaalsContact O-N 3.16Å |
| 868 | I | 90.6 | Very high | 85.6 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.6 | -40.7 | 177.1 | -68.4 | 171.4 | 0 | 0 | 0 | 111.5 | I841 L844 M848 I864 I865 L871 F872 F971 | I841-I868 HydrophobicContact CG2-CG2 4.33Å; L844-I868 HydrophobicContact CB-CD1 3.81Å; L844-I868 HydrophobicContact CB-CG1 3.78Å; L844-I868 HydrophobicContact CD1-CG1 3.73Å; L844-I868 HydrophobicContact CG-CG1 4.42Å; M848-I868 HydrophobicContact SD-CD1 3.79Å; I864-I868 HydrophobicContact CG2-CD1 4.09Å; I864-I868 WeakPolarHBondContact O-CG1 3.33Å; I864-I868 PolarHBondContact O-N 3.43Å; I865-I868 PolarHBondContact O-N 3.13Å; I868-L871 PolarHBondContact O-N 3Å; I868-F872 HydrophobicContact CG2-CD2 3.58Å; I868-F872 HydrophobicContact CG2-CE2 3.47Å; I868-F872 VanDerWaalsContact CG2-CE2 3.47Å; I868-F872 VanDerWaalsContact O-CD2 3.28Å; I868-F872 WeakPolarHBondContact O-CD2 3.3Å; I868-F872 PolarHBondContact O-N 3.16Å; I868-F971 HydrophobicContact CB-CE2 4.41Å; I868-F971 HydrophobicContact CD1-CD2 3.83Å; I868-F971 HydrophobicContact CD1-CE2 3.55Å; I868-F971 HydrophobicContact CD1-CZ 4.49Å; I868-F971 HydrophobicContact CG2-CD1 4.35Å; I868-F971 HydrophobicContact CG2-CD2 3.92Å; I868-F971 HydrophobicContact CG2-CE1 4.2Å; I868-F971 HydrophobicContact CG2-CE2 3.77Å; I868-F971 HydrophobicContact CG2-CG 4.2Å; I868-F971 HydrophobicContact CG2-CZ 3.91Å |
| 869 | L | 89.8 | Confident | 85.1 | Confident | 3 Ų | 3 | 38.6 Ų | 38.6 | 2% | 0.016 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.7 | -39.7 | 177.9 | -68 | 177.4 | 0 | 0 | 0 | 112.2 | I865 P866 S867 L871 F872 L873 L993 Q997 Q1000 L1001 I1004 | I865-L869 HydrophobicContact CG2-CD1 4.21Å; I865-L869 HydrophobicContact CG2-CG 4.28Å; I865-L869 WeakPolarHBondContact O-CG 3.36Å; I865-L869 PolarHBondContact O-N 3.33Å; P866-L869 PolarHBondContact O-N 2.95Å; S867-L869 VanDerWaalsContact C-N 3.34Å; S867-L869 PolarHBondContact O-N 3.22Å; L869-L871 VanDerWaalsContact C-N 3.35Å; L869-L871 PolarHBondContact O-N 3.2Å; L869-F872 PolarHBondContact O-N 3.3Å; L869-L873 PolarHBondContact O-N 2.95Å; L869-L993 HydrophobicContact CD1-CD2 4.27Å; L869-Q997 HydrophobicContact CD1-CB 3.57Å; L869-Q997 HydrophobicContact CD1-CG 3.82Å; L869-Q1000 HydrophobicContact CD2-CB 4.23Å; L869-L1001 HydrophobicContact CD2-CB 4.37Å; L869-L1001 HydrophobicContact CD2-CD1 4.29Å; L869-I1004 HydrophobicContact CD2-CD1 3.4Å; L869-I1004 VanDerWaalsContact CD2-CD1 3.4Å |
| 870 | L | 88.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 32.7 Ų | 32.7 | 42% | 0.424 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -58.7 | -46 | 174.2 | 179.8 | 66.2 | 0 | 0 | 0 | 111.3 | E829 P866 S867 L873 G874 | E829-L870 HydrophobicContact CB-CD2 4.11Å; P866-L870 PolarHBondContact O-N 3.41Å; S867-L870 WeakPolarHBondContact O-CB 3.2Å; S867-L870 PolarHBondContact O-N 3.45Å; L870-L873 WeakPolarHBondContact O-CB 3.41Å; L870-L873 PolarHBondContact O-N 3.46Å; L870-G874 PolarHBondContact O-N 2.77Å; L870-G874 VanDerWaalsContact O-N 3.13Å |
| 871 | L | 89.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.9 | -40.5 | 178.6 | -62.6 | 166.4 | 0 | 0 | 0 | 112.1 | T828 F831 R837 C840 I841 L844 S867 I868 L869 L873 G874 L875 | T828-L871 HydrophobicContact CG2-CD1 3.88Å; T828-L871 HydrophobicContact CG2-CD2 3.89Å; T828-L871 HydrophobicContact CG2-CG 3.78Å; F831-L871 HydrophobicContact CB-CD2 3.92Å; R837-L871 HydrophobicContact CB-CB 4.48Å; R837-L871 HydrophobicContact CB-CD2 4.31Å; R837-L871 HydrophobicContact CG-CD2 3.92Å; C840-L871 HydrophobicContact CB-CD1 3.77Å; C840-L871 HydrophobicContact CB-CD2 4.44Å; C840-L871 VanDerWaalsContact SG-CD1 3.55Å; I841-L871 HydrophobicContact CD1-CB 3.78Å; I841-L871 HydrophobicContact CG1-CB 3.62Å; I841-L871 HydrophobicContact CG1-CD1 3.8Å; I841-L871 HydrophobicContact CG1-CG 4.38Å; L844-L871 HydrophobicContact CD1-CD1 4.16Å; S867-L871 WeakPolarHBondContact O-CG 3.47Å; S867-L871 PolarHBondContact O-N 2.62Å; S867-L871 VanDerWaalsContact O-N 3.16Å; I868-L871 PolarHBondContact O-N 3Å; L869-L871 VanDerWaalsContact C-N 3.35Å; L869-L871 PolarHBondContact O-N 3.2Å; L871-L873 VanDerWaalsContact C-N 3.33Å; L871-L873 PolarHBondContact O-N 3.18Å; L871-G874 PolarHBondContact O-N 3.02Å; L871-L875 PolarHBondContact O-N 3.07Å |
| 872 | F | 89.8 | Confident | 81.6 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 175 | -86.7 | -61.9 | 0 | 0 | 0 | 113.1 | I841 I868 L869 L875 K876 E967 Y968 F971 I1004 | I841-F872 HydrophobicContact CD1-CD1 3.96Å; I841-F872 HydrophobicContact CD1-CD2 4.13Å; I841-F872 HydrophobicContact CD1-CE1 3.99Å; I841-F872 HydrophobicContact CD1-CE2 4.16Å; I841-F872 HydrophobicContact CD1-CG 4.03Å; I841-F872 HydrophobicContact CD1-CZ 4.09Å; I841-F872 HydrophobicContact CG1-CE2 4.5Å; I841-F872 HydrophobicContact CG2-CE2 3.85Å; I841-F872 HydrophobicContact CG2-CZ 3.77Å; I868-F872 HydrophobicContact CG2-CD2 3.58Å; I868-F872 HydrophobicContact CG2-CE2 3.47Å; I868-F872 VanDerWaalsContact CG2-CE2 3.47Å; I868-F872 VanDerWaalsContact O-CD2 3.28Å; I868-F872 WeakPolarHBondContact O-CD2 3.3Å; I868-F872 PolarHBondContact O-N 3.16Å; L869-F872 PolarHBondContact O-N 3.3Å; F872-L875 HydrophobicContact CD1-CD1 4.41Å; F872-L875 PolarHBondContact O-N 3.31Å; F872-K876 WeakPolarHBondContact O-CB 3.45Å; F872-K876 PolarHBondContact O-N 2.99Å; F872-E967 HydrophobicContact CE1-CB 4.46Å; F872-E967 HydrophobicContact CE1-CG 3.86Å; F872-E967 HydrophobicContact CZ-CG 4.46Å; F872-Y968 HydrophobicContact CD1-CD1 4.09Å; F872-Y968 HydrophobicContact CD1-CD2 4.39Å; F872-Y968 AromaticContact CD1-CE1 3.56Å; F872-Y968 HydrophobicContact CD1-CE1 3.56Å; F872-Y968 AromaticContact CD1-CE2 3.92Å; F872-Y968 HydrophobicContact CD1-CE2 3.92Å; F872-Y968 HydrophobicContact CD1-CG 4.46Å; F872-Y968 AromaticContact CD1-CZ 3.46Å; F872-Y968 VanDerWaalsContact CD1-CZ 3.46Å; F872-Y968 AromaticContact CE1-CD1 3.66Å; F872-Y968 HydrophobicContact CE1-CD1 3.66Å; F872-Y968 AromaticContact CE1-CD2 3.7Å; F872-Y968 HydrophobicContact CE1-CD2 3.7Å; F872-Y968 AromaticContact CE1-CE1 3.61Å; F872-Y968 HydrophobicContact CE1-CE1 3.61Å; F872-Y968 AromaticContact CE1-CE2 3.68Å; F872-Y968 HydrophobicContact CE1-CE2 3.68Å; F872-Y968 AromaticContact CE1-CG 3.69Å; F872-Y968 HydrophobicContact CE1-CG 3.69Å; F872-Y968 AromaticContact CE1-CZ 3.63Å; F872-Y968 HydrophobicContact CZ-CD1 4.35Å; F872-Y968 HydrophobicContact CZ-CG 4.35Å; F872-F971 HydrophobicContact CE2-CB 4.21Å; F872-F971 AromaticContact CE2-CD1 3.7Å; F872-F971 HydrophobicContact CE2-CD1 3.7Å; F872-F971 HydrophobicContact CE2-CE1 4.28Å; F872-F971 HydrophobicContact CE2-CG 4.02Å; F872-F971 HydrophobicContact CZ-CB 4.18Å; F872-F971 HydrophobicContact CZ-CD1 4.25Å; F872-F971 HydrophobicContact CZ-CG 4.46Å; F872-I1004 HydrophobicContact CB-CD1 3.88Å; F872-I1004 HydrophobicContact CB-CG1 4.44Å; F872-I1004 HydrophobicContact CD2-CD1 3.55Å; F872-I1004 HydrophobicContact CD2-CG1 4.33Å; F872-I1004 HydrophobicContact CE2-CD1 4.22Å; F872-I1004 HydrophobicContact CE2-CG2 4.24Å; F872-I1004 HydrophobicContact CG-CD1 3.78Å; F872-I1004 HydrophobicContact CG-CG1 4.24Å; F872-I1004 HydrophobicContact CZ-CG2 4.3Å |
| 873 | L | 86.4 | Confident | 80 | Confident | 73 Ų | 73 | 46.3 Ų | 46.3 | 38% | 0.382 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.2 | -48.8 | 173.9 | -174.6 | 67.4 | 0 | 0 | 0 | 110.1 | L869 L870 L871 L875 K876 H877 | L869-L873 PolarHBondContact O-N 2.95Å; L870-L873 WeakPolarHBondContact O-CB 3.41Å; L870-L873 PolarHBondContact O-N 3.46Å; L871-L873 VanDerWaalsContact C-N 3.33Å; L871-L873 PolarHBondContact O-N 3.18Å; L873-L875 PolarHBondContact O-N 2.78Å; L873-K876 WeakPolarHBondContact O-CB 3.38Å; L873-K876 PolarHBondContact O-N 3.11Å; L873-H877 PolarHBondContact O-CD2 3.05Å; L873-H877 PolarHBondContact O-N 3.02Å |
| 874 | G | 81.6 | Confident | 78.2 | Confident | 13 Ų | 13 | 48.5 Ų | 48.5 | 13% | 0.134 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.9 | -45.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113 | L870 L871 K876 H877 M878 | L870-G874 PolarHBondContact O-N 2.77Å; L870-G874 VanDerWaalsContact O-N 3.13Å; L871-G874 PolarHBondContact O-N 3.02Å; G874-K876 VanDerWaalsContact C-N 3.34Å; G874-K876 PolarHBondContact O-N 3.39Å; G874-H877 PolarHBondContact O-N 3.31Å; G874-M878 PolarHBondContact O-N 3.01Å |
| 875 | L | 82.9 | Confident | 75.9 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 176.3 | -76.4 | 176.4 | 0 | 0 | 0 | 112.8 | F834 R837 I841 L871 F872 L873 H877 M878 Y879 E967 | F834-L875 HydrophobicContact CD2-CD2 3.69Å; F834-L875 HydrophobicContact CE2-CD2 3.92Å; F834-L875 HydrophobicContact CG-CD2 4.28Å; R837-L875 HydrophobicContact CB-CD1 4.28Å; R837-L875 HydrophobicContact CB-CD2 3.9Å; R837-L875 HydrophobicContact CB-CG 3.84Å; I841-L875 HydrophobicContact CD1-CD1 3.49Å; I841-L875 VanDerWaalsContact CD1-CD1 3.49Å; L871-L875 PolarHBondContact O-N 3.07Å; F872-L875 HydrophobicContact CD1-CD1 4.41Å; F872-L875 PolarHBondContact O-N 3.31Å; L873-L875 PolarHBondContact O-N 2.78Å; L875-H877 VanDerWaalsContact C-N 3.31Å; L875-H877 PolarHBondContact O-N 3.47Å; L875-M878 PolarHBondContact O-N 3.36Å; L875-Y879 HydrophobicContact CB-CD2 4.38Å; L875-Y879 HydrophobicContact CB-CE2 4.27Å; L875-Y879 WeakPolarHBondContact O-CD2 3.26Å; L875-Y879 PolarHBondContact O-N 3.21Å; L875-E967 HydrophobicContact CD1-CG 4.08Å |
| 876 | K | 81.6 | Confident | 73.1 | Confident | 97 Ų | 97 | 62.6 Ų | 62.6 | 42% | 0.422 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60 | -40.9 | 179.1 | -177.2 | 177.4 | 173.3 | 177.5 | 0 | 111.9 | F872 L873 G874 A880 E1003 | F872-K876 WeakPolarHBondContact O-CB 3.45Å; F872-K876 PolarHBondContact O-N 2.99Å; L873-K876 WeakPolarHBondContact O-CB 3.38Å; L873-K876 PolarHBondContact O-N 3.11Å; G874-K876 VanDerWaalsContact C-N 3.34Å; G874-K876 PolarHBondContact O-N 3.39Å; K876-A880 PolarHBondContact O-N 2.86Å; K876-E1003 IonicContact NZ-OE1 2.69Å; K876-E1003 PolarHBondContact NZ-OE1 3.4Å; K876-E1003 IonicContact NZ-OE2 2.93Å; K876-E1003 PolarHBondContact NZ-OE2 3.2Å |
| 877 | H | 74.8 | Confident | 70.6 | Confident | 103 Ų | 103 | 66.3 Ų | 66.3 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 175.5 | -75.2 | -77.9 | 0 | 0 | 0 | 112 | L873 G874 L875 A880 S881 F947 | L873-H877 PolarHBondContact O-CD2 3.05Å; L873-H877 PolarHBondContact O-N 3.02Å; G874-H877 PolarHBondContact O-N 3.31Å; L875-H877 VanDerWaalsContact C-N 3.31Å; L875-H877 PolarHBondContact O-N 3.47Å; H877-A880 WeakPolarHBondContact O-CB 3.41Å; H877-A880 PolarHBondContact O-N 3.03Å; H877-S881 PolarHBondContact O-N 3.21Å; H877-S881 VanDerWaalsContact O-N 3.08Å; H877-F947 HydrophobicContact CB-CE1 3.98Å |
| 878 | M | 67.9 | Low | 67.5 | Low | 14 Ų | 14 | 73.3 Ų | 73.3 | 7% | 0.069 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -41 | 177.9 | -68.4 | -160.2 | 78.3 | 0 | 0 | 113.5 | F834 R837 G874 L875 A880 S881 R882 | F834-M878 HydrophobicContact CB-CE 4.21Å; F834-M878 HydrophobicContact CB-SD 4.06Å; R837-M878 PolarHBondContact NH1-SD 2.91Å; G874-M878 PolarHBondContact O-N 3.01Å; L875-M878 PolarHBondContact O-N 3.36Å; M878-A880 PolarHBondContact O-N 3.01Å; M878-S881 PolarHBondContact O-N 3.24Å; M878-R882 PolarHBondContact O-N 2.9Å |
| 879 | Y | 72.9 | Confident | 64.9 | Low | 64 Ų | 64 | 80.9 Ų | 80.9 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -60.7 | -34.6 | 174 | -79.2 | -64 | 0 | 0 | 0 | 111.9 | F834 L875 E967 Y968 | F834-Y879 HydrophobicContact CE2-CD1 4.17Å; F834-Y879 HydrophobicContact CE2-CD2 4.43Å; F834-Y879 AromaticContact CE2-CE1 3.61Å; F834-Y879 HydrophobicContact CE2-CE1 3.61Å; F834-Y879 AromaticContact CE2-CE2 3.89Å; F834-Y879 HydrophobicContact CE2-CE2 3.89Å; F834-Y879 AromaticContact CE2-CZ 3.45Å; F834-Y879 VanDerWaalsContact CE2-CZ 3.45Å; F834-Y879 AromaticContact CZ-CE1 3.77Å; F834-Y879 HydrophobicContact CZ-CE1 3.77Å; F834-Y879 HydrophobicContact CZ-CE2 4.37Å; F834-Y879 AromaticContact CZ-CZ 3.57Å; F834-Y879 WeakPolarHBondContact CZ-OH 3.32Å; L875-Y879 HydrophobicContact CB-CD2 4.38Å; L875-Y879 HydrophobicContact CB-CE2 4.27Å; L875-Y879 WeakPolarHBondContact O-CD2 3.26Å; L875-Y879 PolarHBondContact O-N 3.21Å; Y879-E967 PolarHBondContact OH-OE1 3.2Å; Y879-Y968 HydrophobicContact CE2-CE2 4.32Å |
| 880 | A | 66 | Low | 62.1 | Low | 53 Ų | 53 | 89.2 Ų | 89.2 | 44% | 0.438 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.8 | -38.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K876 H877 M878 L883 | K876-A880 PolarHBondContact O-N 2.86Å; H877-A880 WeakPolarHBondContact O-CB 3.41Å; H877-A880 PolarHBondContact O-N 3.03Å; M878-A880 PolarHBondContact O-N 3.01Å; A880-L883 PolarHBondContact O-N 3.17Å |
| 881 | S | 60.6 | Low | 59.3 | Low | 46 Ų | 46 | 89.2 Ų | 89.2 | 32% | 0.322 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.3 | -45 | 176.3 | -179.1 | 0 | 0 | 0 | 0 | 112.8 | H877 M878 L883 I884 N885 | H877-S881 PolarHBondContact O-N 3.21Å; H877-S881 VanDerWaalsContact O-N 3.08Å; M878-S881 PolarHBondContact O-N 3.24Å; S881-L883 PolarHBondContact O-N 2.93Å; S881-L883 VanDerWaalsContact O-N 3.15Å; S881-I884 PolarHBondContact O-N 3.13Å; S881-N885 PolarHBondContact O-N 2.69Å |
| 882 | R | 57.8 | Low | 56.4 | Low | 137 Ų | 137 | 98.1 Ų | 98.1 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -24.5 | 176.3 | -76.7 | -171.1 | -177.5 | 176.8 | 2.9 | 114 | M878 I884 E953 | M878-R882 PolarHBondContact O-N 2.9Å; R882-I884 VanDerWaalsContact C-N 3.34Å; R882-E953 IonicContact NH2-OE2 3.27Å |
| 883 | L | 51.3 | Low | 53.6 | Low | 143 Ų | 143 | 103.3 Ų | 103.3 | 75% | 0.749 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -75.7 | -22.1 | 176 | -99.3 | 148.6 | 0 | 0 | 0 | 113.2 | A880 S881 | A880-L883 PolarHBondContact O-N 3.17Å; S881-L883 PolarHBondContact O-N 2.93Å; S881-L883 VanDerWaalsContact O-N 3.15Å |
| 884 | I | 50.2 | Low | 51.1 | Low | 140 Ų | 140 | 103.1 Ų | 103.1 | 72% | 0.718 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -88.3 | -32.7 | 178.3 | -61.4 | 169.3 | 0 | 0 | 0 | 110.3 | S881 R882 K886 | S881-I884 PolarHBondContact O-N 3.13Å; R882-I884 VanDerWaalsContact C-N 3.34Å; I884-K886 PolarHBondContact O-N 2.86Å |
| 885 | N | 41.4 | Very low | 49 | Very low | 120 Ų | 120 | 106.9 Ų | 106.9 | 64% | 0.642 | 60% | 0.603 | S | S | * | * | trans | -90 | 39.1 | -177 | -72.4 | -11.5 | 0 | 0 | 0 | 115.3 | S881 | S881-N885 PolarHBondContact O-N 2.69Š| ||
| 886 | K | 31.3 | Very low | 46.5 | Very low | 176 Ų | 176 | 116 Ų | 116 | 77% | 0.765 | 65% | 0.645 | S | S | * | * | trans | -70.6 | 131.3 | 163.6 | -91 | -172.4 | 174.5 | -179.3 | 0 | 109.4 | I884 D888 | I884-K886 PolarHBondContact O-N 2.86Å; K886-D888 PolarHBondContact O-N 3.21Å | ||
| 887 | P | 36.8 | Very low | 44.4 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | trans | -78.7 | 94.3 | -171.2 | 30.5 | -32.9 | 0 | 0 | 0 | 111.4 | ||||
| 888 | D | 26.7 | Very low | 42.8 | Very low | 159 Ų | 159 | 119 Ų | 119 | 85% | 0.85 | 67% | 0.665 | S | S | * | * | trans | -93.7 | 36.5 | 150.6 | -102.6 | -14.7 | 0 | 0 | 0 | 109.8 | K886 L890 | K886-D888 PolarHBondContact O-N 3.21Å; D888-L890 VanDerWaalsContact C-N 3.27Å; D888-L890 PolarHBondContact O-N 3.33Å; D888-L890 VanDerWaalsContact O-N 3.1Å | ||
| 889 | L | 35.1 | Very low | 41.8 | Very low | 159 Ų | 159 | 124.7 Ų | 124.7 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.3 | 56.7 | -178.8 | -78.8 | 168.3 | 0 | 0 | 0 | 111.7 | ||
| 890 | L | 32 | Very low | 40.8 | Very low | 178 Ų | 178 | 128.8 Ų | 128.8 | 93% | 0.932 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.4 | 28.9 | 165.8 | -96.1 | -174.6 | 0 | 0 | 0 | 113.9 | D888 | D888-L890 VanDerWaalsContact C-N 3.27Å; D888-L890 PolarHBondContact O-N 3.33Å; D888-L890 VanDerWaalsContact O-N 3.1Å |
| 891 | A | 29.3 | Very low | 40.3 | Very low | 81 Ų | 81 | 130.8 Ų | 130.8 | 67% | 0.669 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -140 | 5.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||
| 892 | H | 27.9 | Very low | 40.6 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 88% | 0.875 | 72% | 0.718 | S | S | * | * | trans | -131.6 | 32.6 | -177.9 | -79.8 | 61.8 | 0 | 0 | 0 | 114.5 | G894 | H892-G894 VanDerWaalsContact C-N 3.32Š| ||
| 893 | A | 30.7 | Very low | 41.7 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 96% | 0.959 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -96 | 29.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 894 | G | 35.5 | Very low | 43.1 | Very low | 68 Ų | 68 | 120.6 Ų | 120.6 | 70% | 0.701 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -141.7 | 96.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | H892 | H892-G894 VanDerWaalsContact C-N 3.32Š|
| 895 | A | 35.4 | Very low | 44.5 | Very low | 92 Ų | 92 | 117 Ų | 117 | 76% | 0.76 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 118.6 | 72.5 | 161.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 896 | H | 31.7 | Very low | 46.1 | Very low | 191 Ų | 191 | 113.1 Ų | 113.1 | 88% | 0.884 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -154.3 | 6.1 | 147.8 | -113.9 | -58.2 | 0 | 0 | 0 | 117.6 | ||
| 897 | D | 37.7 | Very low | 48.3 | Very low | 133 Ų | 133 | 110.2 Ų | 110.2 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | trans | -106.4 | 29.3 | 178.2 | -95.2 | -20.5 | 0 | 0 | 0 | 114 | D899 Q900 | D897-D899 PolarHBondContact O-N 2.9Å; D897-Q900 PolarHBondContact OD1-NE2 3.07Å | ||
| 898 | E | 41.3 | Very low | 50.3 | Low | 132 Ų | 132 | 109 Ų | 109 | 62% | 0.617 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -81.2 | 115.4 | 167.1 | -66.9 | -157.3 | 141.6 | 0 | 0 | 109.6 | R451 | R451-E898 IonicContact CZ-OE1 3.74Å; R451-E898 IonicContact NH1-OE1 3.23Å; R451-E898 PolarHBondContact NH1-OE1 3.14Å |
| 899 | D | 47.2 | Very low | 53 | Low | 132 Ų | 132 | 103.1 Ų | 103.1 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | trans | 76.3 | 48.5 | 171.9 | -70.2 | -24.4 | 0 | 0 | 0 | 118.4 | D897 N901 | D897-D899 PolarHBondContact O-N 2.9Å; D899-N901 VanDerWaalsContact C-N 3.26Å; D899-N901 PolarHBondContact O-N 2.91Å | ||
| 900 | Q | 50.3 | Low | 54.8 | Low | 150 Ų | 150 | 97.9 Ų | 97.9 | 70% | 0.701 | 56% | 0.556 | S | S | * | * | trans | -71.2 | 92.3 | 147.6 | -71.7 | -168.6 | 33.8 | 0 | 0 | 108.6 | D897 E902 | D897-Q900 PolarHBondContact OD1-NE2 3.07Å; Q900-E902 VanDerWaalsContact C-N 3.31Å; Q900-E902 PolarHBondContact O-N 3.08Å | ||
| 901 | N | 55.8 | Low | 56.1 | Low | 95 Ų | 95 | 90 Ų | 90 | 51% | 0.508 | 52% | 0.515 | S | S | . | . | trans | -73.8 | 83.5 | 179.2 | -165.7 | 26.9 | 0 | 0 | 0 | 109.9 | D899 E903 | D899-N901 VanDerWaalsContact C-N 3.26Å; D899-N901 PolarHBondContact O-N 2.91Å; N901-E903 PolarHBondContact O-N 3.37Å; N901-E903 WeakPolarHBondContact OD1-CB 3.48Å; N901-E903 VanDerWaalsContact OD1-CD 3.25Å; N901-E903 WeakPolarHBondContact OD1-CG 3.46Å | ||
| 902 | E | 68.1 | Low | 57 | Low | 60 Ų | 60 | 91.2 Ų | 91.2 | 28% | 0.28 | 51% | 0.51 | S | S | . | . | trans | -65.2 | 13.4 | 174.8 | -64.8 | -172.8 | -135 | 0 | 0 | 114.2 | R403 K404 Q900 I904 | R403-E902 WeakPolarHBondContact CD-OE2 3.4Å; R403-E902 HydrophobicContact CG-CB 4.32Å; K404-E902 HydrophobicContact CD-CB 4.37Å; K404-E902 WeakPolarHBondContact CD-O 3.36Å; K404-E902 IonicContact NZ-OE2 2.68Å; K404-E902 PolarHBondContact NZ-OE2 3.32Å; Q900-E902 VanDerWaalsContact C-N 3.31Å; Q900-E902 PolarHBondContact O-N 3.08Å; E902-I904 PolarHBondContact O-N 3.47Å | ||
| 903 | E | 79.4 | Confident | 57.6 | Low | 35 Ų | 35 | 88 Ų | 88 | 16% | 0.164 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -76 | 121.7 | -179.4 | -72.6 | -178.4 | -178.5 | 0 | 0 | 110.9 | K406 K447 N901 | K406-E903 WeakPolarHBondContact CD-OE2 3.4Å; K406-E903 WeakPolarHBondContact CG-OE2 3.37Å; K447-E903 IonicContact NZ-OE1 3.06Å; K447-E903 PolarHBondContact NZ-OE1 3.36Å; N901-E903 PolarHBondContact O-N 3.37Å; N901-E903 WeakPolarHBondContact OD1-CB 3.48Å; N901-E903 VanDerWaalsContact OD1-CD 3.25Å; N901-E903 WeakPolarHBondContact OD1-CG 3.46Å |
| 904 | I | 80.4 | Confident | 57.8 | Low | 18 Ų | 18 | 85 Ų | 85 | 9% | 0.092 | 47% | 0.468 | C | S | . | . | P | Polyproline II helix | trans | -94 | 123.7 | 178.6 | -48.6 | 168.4 | 0 | 0 | 0 | 108.9 | K404 R405 E902 E908 E910 | K404-I904 HydrophobicContact CB-CD1 4Å; K404-I904 HydrophobicContact CB-CG1 4.33Å; K404-I904 HydrophobicContact CD-CD1 4Å; K404-I904 HydrophobicContact CD-CG1 4.25Å; K404-I904 HydrophobicContact CG-CD1 4.2Å; K404-I904 PolarHBondContact O-N 3.03Å; R405-I904 PolarHBondContact NH1-O 3.05Å; E902-I904 PolarHBondContact O-N 3.47Å; I904-E908 HydrophobicContact CG2-CB 4.06Å; I904-E908 WeakPolarHBondContact CG2-O 3.34Å; I904-E910 HydrophobicContact CD1-CB 3.56Å; I904-E910 HydrophobicContact CD1-CG 3.89Å |
| 905 | P | 79.7 | Confident | 57.8 | Low | 64 Ų | 64 | 86.6 Ų | 86.6 | 42% | 0.416 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 149.1 | 170.6 | -27.4 | 36.3 | 0 | 0 | 0 | 112 | R405 D907 E908 | R405-P905 PolarHBondContact NH1-O 3.26Å; P905-D907 PolarHBondContact O-N 3.32Å; P905-E908 HydrophobicContact CB-CB 4.13Å; P905-E908 HydrophobicContact CB-CG 4.03Å; P905-E908 WeakPolarHBondContact CD-OE2 3.47Å; P905-E908 HydrophobicContact CG-CB 4.38Å; P905-E908 HydrophobicContact CG-CG 4.29Å; P905-E908 WeakPolarHBondContact CG-OE2 3.46Å; P905-E908 PolarHBondContact O-N 3.1Å |
| 906 | S | 75.1 | Confident | 57.6 | Low | 39 Ų | 39 | 86.8 Ų | 86.8 | 27% | 0.273 | 45% | 0.445 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -20.1 | -173.7 | -166.9 | 0 | 0 | 0 | 0 | 113.8 | W340 | W340-S906 PolarHBondContact NE1-OG 3.36Š|
| 907 | D | 78.3 | Confident | 57.5 | Low | 114 Ų | 114 | 82.5 Ų | 82.5 | 61% | 0.61 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.2 | 3.6 | 179.9 | -69.7 | -47.7 | 0 | 0 | 0 | 113.4 | K341 P905 | K341-D907 WeakPolarHBondContact CE-OD1 3.38Å; K341-D907 IonicContact NZ-OD1 3.66Å; K341-D907 PolarHBondContact NZ-OD1 2.97Å; P905-D907 PolarHBondContact O-N 3.32Å |
| 908 | E | 79.8 | Confident | 57.3 | Low | 85 Ų | 85 | 81.2 Ų | 81.2 | 40% | 0.397 | 42% | 0.424 | S | S | . | . | trans | -117.8 | 158.6 | -176.3 | -66 | -176.7 | -176.2 | 0 | 0 | 112.8 | S337 I904 P905 | S337-E908 WeakPolarHBondContact CB-O 3.42Å; I904-E908 HydrophobicContact CG2-CB 4.06Å; I904-E908 WeakPolarHBondContact CG2-O 3.34Å; P905-E908 HydrophobicContact CB-CB 4.13Å; P905-E908 HydrophobicContact CB-CG 4.03Å; P905-E908 WeakPolarHBondContact CD-OE2 3.47Å; P905-E908 HydrophobicContact CG-CB 4.38Å; P905-E908 HydrophobicContact CG-CG 4.29Å; P905-E908 WeakPolarHBondContact CG-OE2 3.46Å; P905-E908 PolarHBondContact O-N 3.1Å | ||
| 909 | D | 81.5 | Confident | 56.7 | Low | 34 Ų | 34 | 78.8 Ų | 78.8 | 18% | 0.182 | 42% | 0.415 | C | S | . | . | trans | -106.5 | 147.8 | 177 | -71.9 | 15.3 | 0 | 0 | 0 | 109.2 | S335 H336 S337 V911 N912 | S335-D909 WeakPolarHBondContact O-CA 3.46Å; H336-D909 IonicContact ND1-OD2 3.66Å; H336-D909 PolarHBondContact ND1-OD2 2.86Å; S337-D909 WeakPolarHBondContact CA-OD1 3.38Å; S337-D909 WeakPolarHBondContact CB-OD1 3.48Å; S337-D909 PolarHBondContact N-OD1 3.02Å; S337-D909 PolarHBondContact OG-OD1 3.35Å; D909-V911 HydrophobicContact CB-CG2 4.13Å; D909-V911 PolarHBondContact O-N 3.28Å; D909-V911 VanDerWaalsContact O-N 3.07Å; D909-N912 PolarHBondContact O-N 2.97Å | ||
| 910 | E | 73.4 | Confident | 55.7 | Low | 49 Ų | 49 | 79.4 Ų | 79.4 | 23% | 0.229 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -30.9 | -177.3 | -167.3 | 167.1 | -175.2 | 0 | 0 | 114 | S335 K404 I904 N912 | S335-E910 WeakPolarHBondContact CB-OE2 3.46Å; S335-E910 PolarHBondContact O-N 3.47Å; S335-E910 PolarHBondContact OG-OE2 3.45Å; K404-E910 WeakPolarHBondContact CE-OE1 3.44Å; K404-E910 IonicContact NZ-OE1 3.75Å; K404-E910 PolarHBondContact NZ-OE1 3.46Å; I904-E910 HydrophobicContact CD1-CB 3.56Å; I904-E910 HydrophobicContact CD1-CG 3.89Å; E910-N912 VanDerWaalsContact C-N 3.34Å; E910-N912 PolarHBondContact O-N 3.06Å |
| 911 | V | 59.7 | Low | 54.9 | Low | 14 Ų | 14 | 80.9 Ų | 80.9 | 9% | 0.085 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -80.9 | -6.2 | -172.3 | -87.8 | 0 | 0 | 0 | 0 | 114.9 | P279 G280 D909 E913 | P279-V911 WeakPolarHBondContact O-CG2 3.36Å; G280-V911 VanDerWaalsContact CA-CG1 3.49Å; D909-V911 HydrophobicContact CB-CG2 4.13Å; D909-V911 PolarHBondContact O-N 3.28Å; D909-V911 VanDerWaalsContact O-N 3.07Å; V911-E913 VanDerWaalsContact C-N 3.27Å; V911-E913 PolarHBondContact O-N 2.91Å |
| 912 | N | 47.2 | Very low | 53.6 | Low | 105 Ų | 105 | 79 Ų | 79 | 56% | 0.561 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -71.7 | -20.3 | 173.5 | -91.7 | -1.6 | 0 | 0 | 0 | 113.2 | D909 E910 | D909-N912 PolarHBondContact O-N 2.97Å; E910-N912 VanDerWaalsContact C-N 3.34Å; E910-N912 PolarHBondContact O-N 3.06Å |
| 913 | E | 41.4 | Very low | 51.5 | Low | 123 Ų | 123 | 79.9 Ų | 79.9 | 58% | 0.575 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -93.9 | -34 | 176.5 | -72.2 | -170.2 | 155.4 | 0 | 0 | 112.9 | V911 Q915 N916 T917 | V911-E913 VanDerWaalsContact C-N 3.27Å; V911-E913 PolarHBondContact O-N 2.91Å; E913-Q915 VanDerWaalsContact C-N 3.28Å; E913-Q915 PolarHBondContact O-N 2.98Å; E913-N916 WeakPolarHBondContact O-CA 3.47Å; E913-N916 WeakPolarHBondContact O-CB 3.42Å; E913-N916 PolarHBondContact O-N 3.02Å; E913-T917 PolarHBondContact O-N 2.94Å; E913-T917 PolarHBondContact O-OG1 2.87Å; E913-T917 VanDerWaalsContact O-OG1 3.07Å |
| 914 | S | 34.6 | Very low | 49 | Very low | 53 Ų | 53 | 87.3 Ų | 87.3 | 37% | 0.371 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -31.4 | 179.2 | -40.3 | 0 | 0 | 0 | 0 | 112.7 | N916 T917 I918 | S914-N916 VanDerWaalsContact C-N 3.26Å; S914-N916 PolarHBondContact O-N 3.12Å; S914-T917 PolarHBondContact O-N 2.92Å; S914-I918 VanDerWaalsContact O-CG1 3.3Å; S914-I918 WeakPolarHBondContact O-CG1 3.47Å; S914-I918 PolarHBondContact O-N 2.87Å; S914-I918 VanDerWaalsContact O-N 3.1Å |
| 915 | Q | 36.3 | Very low | 46.7 | Very low | 100 Ų | 100 | 90.2 Ų | 90.2 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -28.8 | 172.8 | -133.2 | 92.2 | 40.8 | 0 | 0 | 111.9 | E913 N919 | E913-Q915 VanDerWaalsContact C-N 3.28Å; E913-Q915 PolarHBondContact O-N 2.98Å; Q915-N919 WeakPolarHBondContact O-CB 3.49Å; Q915-N919 PolarHBondContact O-N 2.76Å |
| 916 | N | 30.6 | Very low | 44.1 | Very low | 97 Ų | 97 | 92.2 Ų | 92.2 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -85.4 | -23.2 | 177.9 | -83.2 | -15.3 | 0 | 0 | 0 | 113.1 | E913 S914 N919 H920 | E913-N916 WeakPolarHBondContact O-CA 3.47Å; E913-N916 WeakPolarHBondContact O-CB 3.42Å; E913-N916 PolarHBondContact O-N 3.02Å; S914-N916 VanDerWaalsContact C-N 3.26Å; S914-N916 PolarHBondContact O-N 3.12Å; N916-N919 CarbonylContact O-C 3.46Å; N916-H920 VanDerWaalsContact O-CB 3.28Å; N916-H920 WeakPolarHBondContact O-CB 3.12Å; N916-H920 PolarHBondContact O-N 2.88Å |
| 917 | T | 30.4 | Very low | 41.6 | Very low | 100 Ų | 100 | 93.8 Ų | 93.8 | 61% | 0.613 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -73.7 | -38.9 | 168.1 | -12.6 | 0 | 0 | 0 | 0 | 110.8 | E913 S914 H920 Q921 | E913-T917 PolarHBondContact O-N 2.94Å; E913-T917 PolarHBondContact O-OG1 2.87Å; E913-T917 VanDerWaalsContact O-OG1 3.07Å; S914-T917 PolarHBondContact O-N 2.92Å; T917-H920 PolarHBondContact O-N 3.22Å; T917-Q921 PolarHBondContact O-N 3.05Å |
| 918 | I | 33.1 | Very low | 39.1 | Very low | 107 Ų | 107 | 97.9 Ų | 97.9 | 55% | 0.549 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -40.7 | 170.8 | -63.4 | 167.9 | 0 | 0 | 0 | 110.2 | S914 Q921 S922 | S914-I918 VanDerWaalsContact O-CG1 3.3Å; S914-I918 WeakPolarHBondContact O-CG1 3.47Å; S914-I918 PolarHBondContact O-N 2.87Å; S914-I918 VanDerWaalsContact O-N 3.1Å; I918-Q921 PolarHBondContact O-N 3.49Å; I918-S922 WeakPolarHBondContact O-CB 3.4Å; I918-S922 PolarHBondContact O-N 3.43Å; I918-S922 PolarHBondContact O-OG 2.98Å |
| 919 | N | 27.6 | Very low | 36.4 | Very low | 80 Ų | 80 | 98 Ų | 98 | 43% | 0.428 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -77 | -18.5 | 175.4 | -83.7 | -7.8 | 0 | 0 | 0 | 115.1 | Q915 N916 S922 S923 | Q915-N919 WeakPolarHBondContact O-CB 3.49Å; Q915-N919 PolarHBondContact O-N 2.76Å; N916-N919 CarbonylContact O-C 3.46Å; N919-S922 VanDerWaalsContact CA-OG 3.31Å; N919-S922 WeakPolarHBondContact CA-OG 3.35Å; N919-S922 CarbonylContact O-C 3.01Å; N919-S922 PolarHBondContact O-N 3.22Å; N919-S922 PolarHBondContact OD1-OG 3.48Å; N919-S923 WeakPolarHBondContact O-CA 3.49Å; N919-S923 WeakPolarHBondContact O-CB 3.48Å; N919-S923 PolarHBondContact O-N 3.18Å; N919-S923 PolarHBondContact O-OG 3.19Å |
| 920 | H | 27.7 | Very low | 33.5 | Very low | 146 Ų | 146 | 100 Ų | 100 | 68% | 0.676 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -82.1 | -17.8 | 169.9 | -96.5 | -61.1 | 0 | 0 | 0 | 112.9 | N916 T917 | N916-H920 VanDerWaalsContact O-CB 3.28Å; N916-H920 WeakPolarHBondContact O-CB 3.12Å; N916-H920 PolarHBondContact O-N 2.88Å; T917-H920 PolarHBondContact O-N 3.22Å |
| 921 | Q | 32 | Very low | 31.4 | Very low | 180 Ų | 180 | 105.1 Ų | 105.1 | 84% | 0.841 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.9 | -16.4 | 161 | -81.4 | 179.3 | -15.4 | 0 | 0 | 113.3 | T917 I918 | T917-Q921 PolarHBondContact O-N 3.05Å; I918-Q921 PolarHBondContact O-N 3.49Å |
| 922 | S | 28.7 | Very low | 29.7 | Very low | 56 Ų | 56 | 112.2 Ų | 112.2 | 39% | 0.392 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -116.7 | 5 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 116.3 | I918 N919 | I918-S922 WeakPolarHBondContact O-CB 3.4Å; I918-S922 PolarHBondContact O-N 3.43Å; I918-S922 PolarHBondContact O-OG 2.98Å; N919-S922 VanDerWaalsContact CA-OG 3.31Å; N919-S922 WeakPolarHBondContact CA-OG 3.35Å; N919-S922 CarbonylContact O-C 3.01Å; N919-S922 PolarHBondContact O-N 3.22Å; N919-S922 PolarHBondContact OD1-OG 3.48Å |
| 923 | S | 24.5 | Very low | 28.6 | Very low | 78 Ų | 78 | 114 Ų | 114 | 55% | 0.545 | 68% | 0.68 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -109.4 | 20.9 | 172.9 | 96.7 | 0 | 0 | 0 | 0 | 114.5 | N919 | N919-S923 WeakPolarHBondContact O-CA 3.49Å; N919-S923 WeakPolarHBondContact O-CB 3.48Å; N919-S923 PolarHBondContact O-N 3.18Å; N919-S923 PolarHBondContact O-OG 3.19Å |
| 924 | M | 28.2 | Very low | 27.9 | Very low | 192 Ų | 192 | 114.3 Ų | 114.3 | 95% | 0.946 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 1.6 | 147.1 | -83.4 | -87.1 | -178.2 | 0 | 0 | 111.6 | ||
| 925 | A | 31.4 | Very low | 27.6 | Very low | 78 Ų | 78 | 118.6 Ų | 118.6 | 65% | 0.645 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -131.6 | 81.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 926 | A | 25 | Very low | 27 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 88% | 0.876 | 72% | 0.724 | S | S | * | * | trans | 168 | 91.7 | 139.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 927 | G | 21.5 | Very low | 27 | Very low | 72 Ų | 72 | 125 Ų | 125 | 74% | 0.742 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -142.6 | 103.7 | 165 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 928 | Q | 26.1 | Very low | 26.8 | Very low | 200 Ų | 200 | 129 Ų | 129 | 94% | 0.935 | 75% | 0.754 | S | S | * | * | trans | 88.5 | 115.1 | 162.3 | -61.9 | -178.8 | 3.6 | 0 | 0 | 117.2 | ||||
| 929 | G | 22.7 | Very low | 26.5 | Very low | 87 Ų | 87 | 131.5 Ų | 131.5 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | trans | -91.7 | 174.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 930 | G | 21.7 | Very low | 26.5 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | trans | 157.4 | 114 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 931 | D | 28.3 | Very low | 26.5 | Very low | 158 Ų | 158 | 138.9 Ų | 138.9 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -29.3 | 129.5 | 173.3 | -79.9 | -40.9 | 0 | 0 | 0 | 115.2 | ||||
| 932 | N | 24.7 | Very low | 26.5 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | -173.7 | 137 | 115.1 | -92.7 | -32 | 0 | 0 | 0 | 112.3 | |||||
| 933 | N | 25.2 | Very low | 26.6 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 81% | 0.807 | S | S | * | * | trans | -56.7 | 152.9 | 174.9 | -104.9 | 23.3 | 0 | 0 | 0 | 115 | ||||
| 934 | D | 26.7 | Very low | 27 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 70% | 0.695 | 82% | 0.821 | S | S | * | * | trans | 88.9 | 120.4 | 145 | -59 | -22 | 0 | 0 | 0 | 119.8 | ||||
| 935 | N | 27.3 | Very low | 27.2 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | trans | 80.5 | 97.6 | 155.1 | -56.2 | -20.3 | 0 | 0 | 0 | 117 | ||||
| 936 | D | 24.6 | Very low | 27.4 | Very low | 167 Ų | 167 | 143.3 Ų | 143.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | -173.8 | 72.2 | 126.1 | -83.3 | -21.3 | 0 | 0 | 0 | 108.4 | |||||
| 937 | D | 29.4 | Very low | 28 | Very low | 165 Ų | 165 | 141.6 Ų | 141.6 | 88% | 0.882 | 77% | 0.768 | S | S | * | * | trans | -103.4 | 96.2 | 159.4 | -83.3 | -33.4 | 0 | 0 | 0 | 106.2 | ||||
| 938 | E | 26.6 | Very low | 29.1 | Very low | 185 Ų | 185 | 146.2 Ų | 146.2 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -162.2 | 2.3 | 159.4 | -118.5 | 171 | -156.4 | 0 | 0 | 118.7 | ||||
| 939 | D | 27 | Very low | 30.4 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 74% | 0.742 | S | S | * | * | trans | -122.9 | 15.2 | -169.2 | -86.1 | -20 | 0 | 0 | 0 | 118.8 | ||||
| 940 | D | 27.3 | Very low | 32.5 | Very low | 170 Ų | 170 | 135.3 Ų | 135.3 | 91% | 0.909 | 71% | 0.707 | S | S | * | * | trans | -110.9 | 71 | 173.5 | -83.6 | -21.7 | 0 | 0 | 0 | 112.4 | ||||
| 941 | Y | 27.6 | Very low | 34.8 | Very low | 212 Ų | 212 | 136 Ų | 136 | 83% | 0.831 | 70% | 0.698 | S | S | * | * | trans | -121.7 | 34.6 | 177.5 | -124.8 | -80 | 0 | 0 | 0 | 114.6 | ||||
| 942 | W | 31.4 | Very low | 37.3 | Very low | 196 Ų | 196 | 128.7 Ų | 128.7 | 74% | 0.742 | 66% | 0.658 | S | S | * | * | trans | -136.6 | 101.6 | 171.5 | -59.3 | 101 | 0 | 0 | 0 | 110.7 | F947 | W942-F947 HydrophobicContact CB-CE2 4.38Š| ||
| 943 | D | 32 | Very low | 40 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 68% | 0.684 | 63% | 0.627 | S | S | * | * | trans | -55 | 129.9 | 167.1 | -116.1 | -25.9 | 0 | 0 | 0 | 109.5 | D945 A946 | D943-D945 PolarHBondContact O-N 3Å; D943-A946 WeakPolarHBondContact O-CB 3.47Å; D943-A946 PolarHBondContact O-N 3.13Å; D943-A946 VanDerWaalsContact O-N 3.11Å | ||
| 944 | E | 31.6 | Very low | 42.7 | Very low | 178 Ų | 178 | 124 Ų | 124 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -61.4 | -20.8 | 176.3 | -79.8 | -176.6 | 147.7 | 0 | 0 | 112.3 | A946 | E944-A946 VanDerWaalsContact C-N 3.28Å; E944-A946 PolarHBondContact O-N 3.2Å |
| 945 | D | 33.6 | Very low | 45.5 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -72.8 | -12.6 | 175.8 | -70.9 | -18.2 | 0 | 0 | 0 | 113.9 | D943 F947 | D943-D945 PolarHBondContact O-N 3Å; D945-F947 PolarHBondContact O-N 3.36Å |
| 946 | A | 34.8 | Very low | 48.2 | Very low | 39 Ų | 39 | 113.9 Ų | 113.9 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | G | 310 helix | trans | -80.4 | -0.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | D943 E944 | D943-A946 WeakPolarHBondContact O-CB 3.47Å; D943-A946 PolarHBondContact O-N 3.13Å; D943-A946 VanDerWaalsContact O-N 3.11Å; E944-A946 VanDerWaalsContact C-N 3.28Å; E944-A946 PolarHBondContact O-N 3.2Å |
| 947 | F | 38.9 | Very low | 51.1 | Low | 70 Ų | 70 | 106 Ų | 106 | 31% | 0.307 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -110.2 | -5.9 | -173.5 | -71.9 | -81.8 | 0 | 0 | 0 | 115 | H877 W942 D945 | H877-F947 HydrophobicContact CB-CE1 3.98Å; W942-F947 HydrophobicContact CB-CE2 4.38Å; D945-F947 PolarHBondContact O-N 3.36Å |
| 948 | E | 44.1 | Very low | 53.6 | Low | 169 Ų | 169 | 100.2 Ų | 100.2 | 79% | 0.79 | 50% | 0.503 | S | S | * | . | S | Bend | trans | -73.6 | 130.4 | 158.3 | -73.2 | -173.6 | 157.8 | 0 | 0 | 107.7 | ||
| 949 | G | 52.9 | Low | 56.4 | Low | 34 Ų | 34 | 91.8 Ų | 91.8 | 35% | 0.351 | 46% | 0.464 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 159.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 950 | T | 66.4 | Low | 59.1 | Low | 24 Ų | 24 | 86.4 Ų | 86.4 | 15% | 0.147 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 144.2 | 177.4 | 60.4 | 0 | 0 | 0 | 0 | 109.6 | L952 E953 | T950-L952 PolarHBondContact O-N 3.25Å; T950-E953 VanDerWaalsContact O-CB 3.29Å; T950-E953 WeakPolarHBondContact O-CB 3.32Å; T950-E953 PolarHBondContact O-N 2.74Å |
| 951 | P | 70.3 | Confident | 61.6 | Low | 91 Ų | 91 | 84.1 Ų | 84.1 | 59% | 0.591 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -53.3 | -27 | 178 | -27.7 | 34.8 | 0 | 0 | 0 | 113.5 | E953 E954 | P951-E953 PolarHBondContact O-N 3.25Å; P951-E954 PolarHBondContact O-N 3.42Å |
| 952 | L | 81.7 | Confident | 63.3 | Low | 4 Ų | 4 | 82.3 Ų | 82.3 | 2% | 0.021 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -71.5 | -10.9 | 176.9 | -62 | 170 | 0 | 0 | 0 | 114.3 | C739 K743 M784 T950 E954 Y955 | C739-L952 HydrophobicContact CB-CD1 3.96Å; K743-L952 HydrophobicContact CB-CD2 4.34Å; K743-L952 HydrophobicContact CG-CB 4.44Å; K743-L952 HydrophobicContact CG-CD2 4.43Å; M784-L952 HydrophobicContact CE-CD1 4.46Å; M784-L952 HydrophobicContact CG-CD1 3.91Å; M784-L952 HydrophobicContact SD-CD1 3.58Å; M784-L952 VanDerWaalsContact SD-CD1 3.58Å; T950-L952 PolarHBondContact O-N 3.25Å; L952-E954 PolarHBondContact O-N 3.41Å; L952-Y955 HydrophobicContact CD2-CD2 4.22Å; L952-Y955 HydrophobicContact CD2-CE2 4.13Å; L952-Y955 PolarHBondContact O-N 2.95Å |
| 953 | E | 80.6 | Confident | 64.9 | Low | 45 Ų | 45 | 80.8 Ų | 80.8 | 21% | 0.21 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -68.5 | -16.6 | 174.7 | -74.8 | -174.7 | -160 | 0 | 0 | 113.3 | G833 F834 R882 T950 P951 Y955 | G833-E953 WeakPolarHBondContact CA-OE1 3.37Å; F834-E953 PolarHBondContact N-OE1 3.05Å; R882-E953 IonicContact NH2-OE2 3.27Å; T950-E953 VanDerWaalsContact O-CB 3.29Å; T950-E953 WeakPolarHBondContact O-CB 3.32Å; T950-E953 PolarHBondContact O-N 2.74Å; P951-E953 PolarHBondContact O-N 3.25Å; E953-Y955 PolarHBondContact O-N 3.18Å |
| 954 | E | 81.4 | Confident | 66.7 | Low | 160 Ų | 160 | 75.8 Ų | 75.8 | 75% | 0.748 | 40% | 0.404 | S | S | * | . | G | 310 helix | trans | -63.5 | -28 | 173.4 | -63.8 | -176.5 | 174.2 | 0 | 0 | 111.7 | P951 L952 S956 | P951-E954 PolarHBondContact O-N 3.42Å; L952-E954 PolarHBondContact O-N 3.41Å; E954-S956 VanDerWaalsContact C-N 3.3Å; E954-S956 PolarHBondContact O-N 2.83Å |
| 955 | Y | 86.3 | Confident | 69 | Low | 25 Ų | 25 | 70.4 Ų | 70.4 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -83 | 72.8 | 177.5 | -55.9 | -67.2 | 0 | 0 | 0 | 111.8 | M697 P698 H701 H740 K743 L952 E953 | M697-Y955 HydrophobicContact CB-CE1 4.48Å; M697-Y955 HydrophobicContact CE-CD1 3.89Å; M697-Y955 HydrophobicContact CE-CD2 4.12Å; M697-Y955 HydrophobicContact CE-CE1 4.22Å; M697-Y955 HydrophobicContact CE-CE2 4.44Å; M697-Y955 HydrophobicContact CE-CG 3.82Å; M697-Y955 HydrophobicContact CG-CD1 4.23Å; M697-Y955 HydrophobicContact CG-CE1 3.62Å; M697-Y955 HydrophobicContact CG-CE2 3.98Å; M697-Y955 VanDerWaalsContact CG-CZ 3.47Å; P698-Y955 HydrophobicContact CB-CE1 4.44Å; P698-Y955 HydrophobicContact CG-CE1 4.17Å; H701-Y955 HydrophobicContact CB-CD1 4.11Å; H701-Y955 AromaticContact CD2-CD1 3.99Å; H740-Y955 AromaticContact CD2-CE2 3.75Å; H740-Y955 AromaticContact NE2-CE2 3.98Å; K743-Y955 HydrophobicContact CG-CD2 4.4Å; L952-Y955 HydrophobicContact CD2-CD2 4.22Å; L952-Y955 HydrophobicContact CD2-CE2 4.13Å; L952-Y955 PolarHBondContact O-N 2.95Å; E953-Y955 PolarHBondContact O-N 3.18Å |
| 956 | S | 82.9 | Confident | 71.5 | Confident | 36 Ų | 36 | 65.4 Ų | 65.4 | 25% | 0.252 | 35% | 0.352 | S | S | . | . | trans | -57.4 | 147.6 | -178.3 | 62 | 0 | 0 | 0 | 0 | 113.8 | H701 E954 Y961 | H701-S956 PolarHBondContact NE2-O 3.34Å; E954-S956 VanDerWaalsContact C-N 3.3Å; E954-S956 PolarHBondContact O-N 2.83Å; S956-Y961 PolarHBondContact OG-OH 3.5Å | ||
| 957 | T | 85.8 | Confident | 74 | Confident | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 34% | 0.337 | C | S | . | . | trans | -122.4 | 168 | 178 | 74.6 | 0 | 0 | 0 | 0 | 110.6 | V747 L750 H835 L959 D960 Y961 | V747-T957 HydrophobicContact CG2-CG2 4.04Å; L750-T957 HydrophobicContact CD1-CG2 3.92Å; H835-T957 PolarHBondContact CE1-OG1 3.45Å; T957-L959 PolarHBondContact O-N 3.17Å; T957-L959 PolarHBondContact OG1-N 3.26Å; T957-D960 WeakPolarHBondContact CB-OD2 3.33Å; T957-D960 PolarHBondContact N-OD2 3.15Å; T957-D960 PolarHBondContact O-N 3.1Å; T957-D960 PolarHBondContact OG1-OD2 2.66Å; T957-Y961 WeakPolarHBondContact O-CD2 3.34Å; T957-Y961 WeakPolarHBondContact O-CE2 3.49Å | ||
| 958 | P | 83.6 | Confident | 76.4 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 29% | 0.286 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | -22.7 | 173.5 | -30.7 | 37.1 | 0 | 0 | 0 | 115.7 | ||
| 959 | L | 84.3 | Confident | 78.5 | Confident | 8 Ų | 8 | 54.9 Ų | 54.9 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -17.2 | -179.8 | -67.4 | 174.4 | 0 | 0 | 0 | 113.1 | L750 Y794 K838 M839 I842 T957 E965 | L750-L959 HydrophobicContact CD1-CD1 4.05Å; L750-L959 HydrophobicContact CD2-CD1 3.87Å; Y794-L959 HydrophobicContact CE1-CD1 4.2Å; Y794-L959 HydrophobicContact CE1-CD2 4.25Å; K838-L959 WeakPolarHBondContact CE-O 3.34Å; K838-L959 PolarHBondContact NZ-O 3.48Å; M839-L959 HydrophobicContact CE-CD1 4.37Å; M839-L959 HydrophobicContact CG-CD1 4.48Å; M839-L959 HydrophobicContact SD-CD1 3.1Å; M839-L959 WeakPolarHBondContact SD-CD1 3.26Å; I842-L959 HydrophobicContact CD1-CD1 4.46Å; I842-L959 HydrophobicContact CD1-CD2 4.38Å; T957-L959 PolarHBondContact O-N 3.17Å; T957-L959 PolarHBondContact OG1-N 3.26Å; L959-E965 HydrophobicContact CD2-CB 4.16Å |
| 960 | D | 83.8 | Confident | 80.2 | Confident | 46 Ų | 46 | 54.3 Ų | 54.3 | 25% | 0.246 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -20.9 | -175.4 | -56.2 | -51.9 | 0 | 0 | 0 | 113 | H835 T957 | H835-D960 IonicContact CE1-OD1 3.81Å; H835-D960 IonicContact CE1-OD2 2.87Å; H835-D960 IonicContact CG-OD1 3.32Å; H835-D960 IonicContact CG-OD2 2.67Å; H835-D960 IonicContact ND1-OD1 2.74Å; H835-D960 PolarHBondContact ND1-OD1 2.86Å; H835-D960 IonicContact ND1-OD2 3.61Å; H835-D960 PolarHBondContact ND1-OD2 2.94Å; T957-D960 WeakPolarHBondContact CB-OD2 3.33Å; T957-D960 PolarHBondContact N-OD2 3.15Å; T957-D960 PolarHBondContact O-N 3.1Å; T957-D960 PolarHBondContact OG1-OD2 2.66Å |
| 961 | Y | 79.3 | Confident | 81.5 | Confident | 122 Ų | 122 | 53.2 Ų | 53.2 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -67.8 | 155.9 | 176.5 | -59.4 | -63.5 | 0 | 0 | 0 | 112.3 | S956 T957 N963 G964 | S956-Y961 PolarHBondContact OG-OH 3.5Å; T957-Y961 WeakPolarHBondContact O-CD2 3.34Å; T957-Y961 WeakPolarHBondContact O-CE2 3.49Å; Y961-N963 PolarHBondContact O-N 3.29Å; Y961-G964 WeakPolarHBondContact O-CA 3.24Å; Y961-G964 PolarHBondContact O-N 3.24Å |
| 962 | D | 63.9 | Low | 82.4 | Confident | 173 Ų | 173 | 49.5 Ų | 49.5 | 93% | 0.925 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -23.8 | -179.2 | -71.8 | -30 | 0 | 0 | 0 | 114.3 | ||
| 963 | N | 64.7 | Low | 82.8 | Confident | 165 Ų | 165 | 50.5 Ų | 50.5 | 88% | 0.882 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | 5.3 | 177.5 | -61.9 | -25.5 | 0 | 0 | 0 | 113.6 | Y961 | Y961-N963 PolarHBondContact O-N 3.29Š|
| 964 | G | 70.4 | Confident | 83.2 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 23% | 0.227 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -67.8 | 169.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y961 D966 | Y961-G964 WeakPolarHBondContact O-CA 3.24Å; Y961-G964 PolarHBondContact O-N 3.24Å; G964-D966 PolarHBondContact O-N 3.26Å |
| 965 | E | 80 | Confident | 83.6 | Confident | 66 Ų | 66 | 41.4 Ų | 41.4 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | trans | -64.2 | 130.3 | 177.8 | -74.7 | -172.2 | 179.3 | 0 | 0 | 111.2 | R753 Y794 K838 L959 E967 V970 | R753-E965 IonicContact NH1-OE1 2.9Å; R753-E965 PolarHBondContact NH1-OE1 3.27Å; Y794-E965 VanDerWaalsContact CE2-OE2 3.24Å; Y794-E965 WeakPolarHBondContact CE2-OE2 3.4Å; Y794-E965 PolarHBondContact OH-OE1 3.4Å; Y794-E965 PolarHBondContact OH-OE2 2.87Å; K838-E965 WeakPolarHBondContact CE-O 3.46Å; K838-E965 PolarHBondContact NZ-O 2.89Å; L959-E965 HydrophobicContact CD2-CB 4.16Å; E965-E967 PolarHBondContact O-N 2.85Å; E965-V970 HydrophobicContact CB-CG2 4.05Å | ||
| 966 | D | 84.9 | Confident | 83.7 | Confident | 31 Ų | 31 | 42.6 Ų | 42.6 | 17% | 0.166 | 23% | 0.229 | C | C | . | . | trans | -80.6 | 113.6 | 177.1 | -179.7 | -16.1 | 0 | 0 | 0 | 110 | G964 Y968 Q969 V970 R1011 | G964-D966 PolarHBondContact O-N 3.26Å; D966-Y968 PolarHBondContact O-N 3.46Å; D966-Y968 WeakPolarHBondContact OD1-CB 3.44Å; D966-Y968 PolarHBondContact OD1-N 2.91Å; D966-Q969 HydrophobicContact CB-CB 4.08Å; D966-Q969 HydrophobicContact CB-CG 3.98Å; D966-Q969 PolarHBondContact O-N 3.39Å; D966-Q969 WeakPolarHBondContact OD2-CG 3.37Å; D966-Q969 PolarHBondContact OD2-NE2 3.03Å; D966-V970 WeakPolarHBondContact O-CG2 3.32Å; D966-V970 PolarHBondContact O-N 3.11Å; D966-R1011 IonicContact OD1-NH1 2.85Å; D966-R1011 PolarHBondContact OD1-NH1 3.09Å; D966-R1011 WeakPolarHBondContact OD2-CB 3.15Å; D966-R1011 WeakPolarHBondContact OD2-CD 3.5Å | ||
| 967 | E | 88.6 | Confident | 84 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.009 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -55.9 | -35.4 | -177.5 | 62.5 | -74.5 | 170.4 | 0 | 0 | 113.1 | K838 I841 F872 L875 Y879 E965 Q969 F971 R1011 | K838-E967 VanDerWaalsContact CE-OE2 3.28Å; K838-E967 WeakPolarHBondContact CE-OE2 3.46Å; K838-E967 HydrophobicContact CG-CB 4.21Å; K838-E967 IonicContact NZ-OE2 3.21Å; I841-E967 HydrophobicContact CG2-CB 4.27Å; F872-E967 HydrophobicContact CE1-CB 4.46Å; F872-E967 HydrophobicContact CE1-CG 3.86Å; F872-E967 HydrophobicContact CZ-CG 4.46Å; L875-E967 HydrophobicContact CD1-CG 4.08Å; Y879-E967 PolarHBondContact OH-OE1 3.2Å; E965-E967 PolarHBondContact O-N 2.85Å; E967-Q969 VanDerWaalsContact C-N 3.34Å; E967-F971 WeakPolarHBondContact O-CB 3.07Å; E967-F971 PolarHBondContact O-N 3.22Å; E967-F971 VanDerWaalsContact O-N 3.1Å; E967-R1011 IonicContact OE1-NH1 3.67Å; E967-R1011 PolarHBondContact OE1-NH1 3.24Å; E967-R1011 VanDerWaalsContact OE1-NH1 3.15Å |
| 968 | Y | 88.3 | Confident | 84.1 | Confident | 8 Ų | 8 | 47.1 Ų | 47.1 | 3% | 0.031 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.4 | -33.9 | 177.8 | -69.6 | -101.2 | 0 | 0 | 0 | 111.2 | F872 Y879 D966 T972 I1004 I1007 S1008 | F872-Y968 HydrophobicContact CD1-CD1 4.09Å; F872-Y968 HydrophobicContact CD1-CD2 4.39Å; F872-Y968 AromaticContact CD1-CE1 3.56Å; F872-Y968 HydrophobicContact CD1-CE1 3.56Å; F872-Y968 AromaticContact CD1-CE2 3.92Å; F872-Y968 HydrophobicContact CD1-CE2 3.92Å; F872-Y968 HydrophobicContact CD1-CG 4.46Å; F872-Y968 AromaticContact CD1-CZ 3.46Å; F872-Y968 VanDerWaalsContact CD1-CZ 3.46Å; F872-Y968 AromaticContact CE1-CD1 3.66Å; F872-Y968 HydrophobicContact CE1-CD1 3.66Å; F872-Y968 AromaticContact CE1-CD2 3.7Å; F872-Y968 HydrophobicContact CE1-CD2 3.7Å; F872-Y968 AromaticContact CE1-CE1 3.61Å; F872-Y968 HydrophobicContact CE1-CE1 3.61Å; F872-Y968 AromaticContact CE1-CE2 3.68Å; F872-Y968 HydrophobicContact CE1-CE2 3.68Å; F872-Y968 AromaticContact CE1-CG 3.69Å; F872-Y968 HydrophobicContact CE1-CG 3.69Å; F872-Y968 AromaticContact CE1-CZ 3.63Å; F872-Y968 HydrophobicContact CZ-CD1 4.35Å; F872-Y968 HydrophobicContact CZ-CG 4.35Å; Y879-Y968 HydrophobicContact CE2-CE2 4.32Å; D966-Y968 PolarHBondContact O-N 3.46Å; D966-Y968 WeakPolarHBondContact OD1-CB 3.44Å; D966-Y968 PolarHBondContact OD1-N 2.91Å; Y968-T972 WeakPolarHBondContact O-CB 3.45Å; Y968-T972 PolarHBondContact O-N 3.4Å; Y968-T972 PolarHBondContact O-OG1 3.16Å; Y968-I1004 HydrophobicContact CD1-CB 4.44Å; Y968-I1004 HydrophobicContact CD1-CG2 3.88Å; Y968-I1004 HydrophobicContact CE1-CG1 4.27Å; Y968-I1004 HydrophobicContact CE1-CG2 4.43Å; Y968-I1007 HydrophobicContact CD1-CB 4.1Å; Y968-I1007 HydrophobicContact CD1-CG2 3.72Å; Y968-I1007 HydrophobicContact CE1-CB 4.27Å; Y968-I1007 HydrophobicContact CE1-CD1 4.16Å; Y968-I1007 HydrophobicContact CE1-CG2 3.85Å; Y968-I1007 HydrophobicContact CG-CG2 4.18Å; Y968-S1008 WeakPolarHBondContact O-CB 3.45Å; Y968-S1008 PolarHBondContact O-OG 3.31Å |
| 969 | Q | 88.3 | Confident | 84.3 | Confident | 47 Ų | 47 | 49 Ų | 49 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -78.6 | -40.8 | 179 | -65.8 | -175.4 | 42.8 | 0 | 0 | 112 | D966 E967 S973 | D966-Q969 HydrophobicContact CB-CB 4.08Å; D966-Q969 HydrophobicContact CB-CG 3.98Å; D966-Q969 PolarHBondContact O-N 3.39Å; D966-Q969 WeakPolarHBondContact OD2-CG 3.37Å; D966-Q969 PolarHBondContact OD2-NE2 3.03Å; E967-Q969 VanDerWaalsContact C-N 3.34Å; Q969-S973 WeakPolarHBondContact O-CB 3.4Å; Q969-S973 PolarHBondContact O-N 3.35Å; Q969-S973 PolarHBondContact O-OG 2.82Å |
| 970 | V | 89.3 | Confident | 84.4 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 13% | 0.133 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.2 | -54.7 | 177.4 | 172.3 | 0 | 0 | 0 | 0 | 109.8 | T845 M846 E965 D966 S973 A974 | T845-V970 HydrophobicContact CG2-CG1 4.03Å; M846-V970 HydrophobicContact CE-CG1 4.23Å; E965-V970 HydrophobicContact CB-CG2 4.05Å; D966-V970 WeakPolarHBondContact O-CG2 3.32Å; D966-V970 PolarHBondContact O-N 3.11Å; V970-S973 PolarHBondContact O-N 2.99Å; V970-A974 WeakPolarHBondContact O-CB 3.24Å; V970-A974 PolarHBondContact O-N 3.41Å |
| 971 | F | 92.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.9 | -49.3 | 179.6 | 173.6 | -113.7 | 0 | 0 | 0 | 112.6 | I841 I865 I868 F872 E967 S973 A974 L975 L1001 I1004 | I841-F971 HydrophobicContact CG2-CB 4.39Å; I865-F971 HydrophobicContact CD1-CE2 4.01Å; I865-F971 HydrophobicContact CD1-CZ 4.14Å; I868-F971 HydrophobicContact CB-CE2 4.41Å; I868-F971 HydrophobicContact CD1-CD2 3.83Å; I868-F971 HydrophobicContact CD1-CE2 3.55Å; I868-F971 HydrophobicContact CD1-CZ 4.49Å; I868-F971 HydrophobicContact CG2-CD1 4.35Å; I868-F971 HydrophobicContact CG2-CD2 3.92Å; I868-F971 HydrophobicContact CG2-CE1 4.2Å; I868-F971 HydrophobicContact CG2-CE2 3.77Å; I868-F971 HydrophobicContact CG2-CG 4.2Å; I868-F971 HydrophobicContact CG2-CZ 3.91Å; F872-F971 HydrophobicContact CE2-CB 4.21Å; F872-F971 AromaticContact CE2-CD1 3.7Å; F872-F971 HydrophobicContact CE2-CD1 3.7Å; F872-F971 HydrophobicContact CE2-CE1 4.28Å; F872-F971 HydrophobicContact CE2-CG 4.02Å; F872-F971 HydrophobicContact CZ-CB 4.18Å; F872-F971 HydrophobicContact CZ-CD1 4.25Å; F872-F971 HydrophobicContact CZ-CG 4.46Å; E967-F971 WeakPolarHBondContact O-CB 3.07Å; E967-F971 PolarHBondContact O-N 3.22Å; E967-F971 VanDerWaalsContact O-N 3.1Å; F971-S973 VanDerWaalsContact C-N 3.35Å; F971-S973 PolarHBondContact O-N 3.31Å; F971-A974 PolarHBondContact O-N 3.03Å; F971-L975 HydrophobicContact CE1-CD2 4.41Å; F971-L975 HydrophobicContact CZ-CD2 4.09Å; F971-L975 WeakPolarHBondContact O-CB 3.38Å; F971-L975 PolarHBondContact O-N 3.29Å; F971-L1001 HydrophobicContact CE1-CD1 3.59Å; F971-L1001 HydrophobicContact CZ-CD1 3.84Å; F971-I1004 HydrophobicContact CD1-CG2 4.04Å; F971-I1004 HydrophobicContact CE1-CG2 4.31Å |
| 972 | T | 89.5 | Confident | 84.9 | Confident | 12 Ų | 12 | 54.4 Ų | 54.4 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -41.1 | -177.4 | -61.8 | 0 | 0 | 0 | 0 | 112 | Y968 L976 Y1005 S1008 | Y968-T972 WeakPolarHBondContact O-CB 3.45Å; Y968-T972 PolarHBondContact O-N 3.4Å; Y968-T972 PolarHBondContact O-OG1 3.16Å; T972-L976 HydrophobicContact CG2-CD1 4.3Å; T972-L976 WeakPolarHBondContact O-CG 3.47Å; T972-L976 PolarHBondContact O-N 3.34Å; T972-L976 VanDerWaalsContact O-N 3.13Å; T972-Y1005 HydrophobicContact CG2-CD2 3.31Å; T972-Y1005 HydrophobicContact CG2-CE2 3.39Å; T972-Y1005 HydrophobicContact CG2-CG 4.32Å; T972-S1008 WeakPolarHBondContact OG1-CB 3.09Å; T972-S1008 PolarHBondContact OG1-OG 2.77Å |
| 973 | S | 89.8 | Confident | 85.9 | Confident | 25 Ų | 25 | 49.2 Ų | 49.2 | 18% | 0.175 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.9 | -40.7 | 179.6 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | Q969 V970 F971 R977 R1012 | Q969-S973 WeakPolarHBondContact O-CB 3.4Å; Q969-S973 PolarHBondContact O-N 3.35Å; Q969-S973 PolarHBondContact O-OG 2.82Å; V970-S973 PolarHBondContact O-N 2.99Å; F971-S973 VanDerWaalsContact C-N 3.35Å; F971-S973 PolarHBondContact O-N 3.31Å; S973-R977 WeakPolarHBondContact O-CG 3.24Å; S973-R977 PolarHBondContact O-N 3.37Å; S973-R1012 PolarHBondContact OG-NH2 3.35Å |
| 974 | A | 89.4 | Confident | 86.9 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -46.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | T845 E849 V970 F971 L976 R977 I978 | T845-A974 HydrophobicContact CG2-CB 3.21Å; E849-A974 HydrophobicContact CG-CB 3.85Å; E849-A974 WeakPolarHBondContact OE1-CA 3.37Å; E849-A974 WeakPolarHBondContact OE2-CB 3.09Å; V970-A974 WeakPolarHBondContact O-CB 3.24Å; V970-A974 PolarHBondContact O-N 3.41Å; F971-A974 PolarHBondContact O-N 3.03Å; A974-L976 VanDerWaalsContact C-N 3.32Å; A974-L976 PolarHBondContact O-N 3.23Å; A974-R977 WeakPolarHBondContact O-CB 3.09Å; A974-R977 PolarHBondContact O-N 3.27Å; A974-R977 VanDerWaalsContact O-N 3.09Å; A974-I978 WeakPolarHBondContact O-CG1 3.48Å; A974-I978 PolarHBondContact O-N 3.37Å |
| 975 | L | 89.6 | Confident | 87.7 | Confident | 15 Ų | 15 | 43.9 Ų | 43.9 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 179.1 | -172 | 63.2 | 0 | 0 | 0 | 111.9 | M848 I865 F971 I978 Q979 Y986 L1001 | M848-L975 HydrophobicContact CE-CD1 4.09Å; I865-L975 HydrophobicContact CD1-CD1 4.32Å; F971-L975 HydrophobicContact CE1-CD2 4.41Å; F971-L975 HydrophobicContact CZ-CD2 4.09Å; F971-L975 WeakPolarHBondContact O-CB 3.38Å; F971-L975 PolarHBondContact O-N 3.29Å; L975-I978 PolarHBondContact O-N 2.73Å; L975-Q979 WeakPolarHBondContact O-CB 3.38Å; L975-Q979 PolarHBondContact O-N 3.2Å; L975-Y986 HydrophobicContact CD1-CD2 4.08Å; L975-Y986 HydrophobicContact CD1-CE2 3.79Å; L975-Y986 HydrophobicContact CG-CE2 4.01Å; L975-L1001 HydrophobicContact CD2-CD1 4Å; L975-L1001 HydrophobicContact CD2-CD2 4.2Å |
| 976 | L | 88.6 | Confident | 88.1 | Confident | 50 Ų | 50 | 43 Ų | 43 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65 | -38.6 | 173.4 | -73.3 | 174.2 | 0 | 0 | 0 | 112.6 | T972 A974 Q979 N980 Y1005 | T972-L976 HydrophobicContact CG2-CD1 4.3Å; T972-L976 WeakPolarHBondContact O-CG 3.47Å; T972-L976 PolarHBondContact O-N 3.34Å; T972-L976 VanDerWaalsContact O-N 3.13Å; A974-L976 VanDerWaalsContact C-N 3.32Å; A974-L976 PolarHBondContact O-N 3.23Å; L976-Q979 PolarHBondContact O-N 3.38Å; L976-N980 PolarHBondContact O-N 2.92Å; L976-N980 VanDerWaalsContact O-N 3.11Å; L976-N980 PolarHBondContact O-ND2 3.14Å; L976-Y1005 HydrophobicContact CD1-CE2 3.86Å; L976-Y1005 HydrophobicContact CD2-CE2 4.02Å; L976-Y1005 HydrophobicContact CG-CE2 4.08Å |
| 977 | R | 89.5 | Confident | 88.1 | Confident | 122 Ų | 122 | 48.2 Ų | 48.2 | 46% | 0.46 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 174.9 | -77.1 | -171.7 | -63.1 | -109.6 | 5 | 111.2 | E849 S973 A974 N980 S981 | E849-R977 IonicContact OE1-CZ 3.37Å; E849-R977 IonicContact OE1-NE 2.77Å; E849-R977 PolarHBondContact OE1-NE 3.27Å; E849-R977 IonicContact OE1-NH2 2.88Å; E849-R977 PolarHBondContact OE1-NH2 3.01Å; E849-R977 IonicContact OE2-CZ 2.73Å; E849-R977 IonicContact OE2-NH2 3.75Å; E849-R977 PolarHBondContact OE2-NH2 3.12Å; S973-R977 WeakPolarHBondContact O-CG 3.24Å; S973-R977 PolarHBondContact O-N 3.37Å; A974-R977 WeakPolarHBondContact O-CB 3.09Å; A974-R977 PolarHBondContact O-N 3.27Å; A974-R977 VanDerWaalsContact O-N 3.09Å; R977-N980 PolarHBondContact O-N 3.48Å; R977-S981 VanDerWaalsContact O-CB 3.3Å; R977-S981 WeakPolarHBondContact O-CB 3.46Å; R977-S981 PolarHBondContact O-N 3.01Å; R977-S981 PolarHBondContact O-OG 2.87Å |
| 978 | I | 88.1 | Confident | 88 | Confident | 8 Ų | 8 | 51.4 Ų | 51.4 | 4% | 0.041 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 177 | -67.1 | 166.2 | 0 | 0 | 0 | 110.6 | M848 E849 A974 L975 N980 S981 N982 W985 Y986 L989 | M848-I978 HydrophobicContact CB-CD1 3.8Å; M848-I978 HydrophobicContact CE-CD1 3.77Å; E849-I978 HydrophobicContact CG-CD1 4.14Å; E849-I978 HydrophobicContact CG-CG1 4.42Å; A974-I978 WeakPolarHBondContact O-CG1 3.48Å; A974-I978 PolarHBondContact O-N 3.37Å; L975-I978 PolarHBondContact O-N 2.73Å; I978-N980 VanDerWaalsContact C-N 3.26Å; I978-N980 PolarHBondContact O-N 3.17Å; I978-S981 PolarHBondContact O-N 2.87Å; I978-N982 CarbonylContact O-C 3.58Å; I978-N982 PolarHBondContact O-N 3.44Å; I978-W985 HydrophobicContact CG2-CG 4.46Å; I978-Y986 HydrophobicContact CG2-CD2 4.47Å; I978-L989 HydrophobicContact CG2-CD1 4.34Å |
| 979 | Q | 87.9 | Confident | 88 | Confident | 85 Ų | 85 | 51 Ų | 51 | 40% | 0.397 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.2 | -41 | 176.9 | -170.7 | -178.9 | 23.4 | 0 | 0 | 112.1 | L975 L976 Y986 | L975-Q979 WeakPolarHBondContact O-CB 3.38Å; L975-Q979 PolarHBondContact O-N 3.2Å; L976-Q979 PolarHBondContact O-N 3.38Å; Q979-Y986 HydrophobicContact CB-CD2 3.72Å; Q979-Y986 HydrophobicContact CB-CE2 3.77Å; Q979-Y986 HydrophobicContact CB-CG 4.16Å; Q979-Y986 HydrophobicContact CG-CD1 4.2Å; Q979-Y986 HydrophobicContact CG-CD2 4.14Å; Q979-Y986 HydrophobicContact CG-CE1 4.06Å; Q979-Y986 HydrophobicContact CG-CE2 4Å; Q979-Y986 HydrophobicContact CG-CG 4.23Å |
| 980 | N | 87 | Confident | 87.9 | Confident | 136 Ų | 136 | 50.6 Ų | 50.6 | 73% | 0.727 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -81.7 | -28.8 | -178.2 | -69.6 | -37 | 0 | 0 | 0 | 113.9 | L976 R977 I978 | L976-N980 PolarHBondContact O-N 2.92Å; L976-N980 VanDerWaalsContact O-N 3.11Å; L976-N980 PolarHBondContact O-ND2 3.14Å; R977-N980 PolarHBondContact O-N 3.48Å; I978-N980 VanDerWaalsContact C-N 3.26Å; I978-N980 PolarHBondContact O-N 3.17Å |
| 981 | S | 87.3 | Confident | 87.6 | Confident | 97 Ų | 97 | 53.6 Ų | 53.6 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -96.9 | -34.4 | -174.9 | 58.9 | 0 | 0 | 0 | 0 | 114 | R977 I978 | R977-S981 VanDerWaalsContact O-CB 3.3Å; R977-S981 WeakPolarHBondContact O-CB 3.46Å; R977-S981 PolarHBondContact O-N 3.01Å; R977-S981 PolarHBondContact O-OG 2.87Å; I978-S981 PolarHBondContact O-N 2.87Å |
| 982 | N | 85.1 | Confident | 87.2 | Confident | 56 Ų | 56 | 56.7 Ų | 56.7 | 30% | 0.299 | 33% | 0.329 | S | S | . | . | trans | -145.2 | 83.2 | -174.2 | -167.4 | -19.5 | 0 | 0 | 0 | 112.2 | I978 A984 W985 Y986 | I978-N982 CarbonylContact O-C 3.58Å; I978-N982 PolarHBondContact O-N 3.44Å; N982-A984 VanDerWaalsContact C-N 3.27Å; N982-A984 PolarHBondContact O-N 3.24Å; N982-W985 HydrophobicContact CB-CB 4.1Å; N982-W985 PolarHBondContact O-N 3.12Å; N982-W985 PolarHBondContact OD1-N 3.29Å; N982-W985 VanDerWaalsContact OD1-N 3.14Å; N982-Y986 PolarHBondContact O-N 2.73Å | ||
| 983 | A | 84.6 | Confident | 87 | Confident | 63 Ų | 63 | 56.6 Ų | 56.6 | 52% | 0.521 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -60.4 | -32.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q987 | A983-Q987 WeakPolarHBondContact O-CG 3.18Å; A983-Q987 PolarHBondContact O-N 2.77Å |
| 984 | A | 85.4 | Confident | 86.9 | Confident | 65 Ų | 65 | 58.2 Ų | 58.2 | 54% | 0.537 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.7 | -44.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | N982 Q987 C988 | N982-A984 VanDerWaalsContact C-N 3.27Å; N982-A984 PolarHBondContact O-N 3.24Å; A984-Q987 PolarHBondContact O-N 3.04Å; A984-C988 PolarHBondContact O-N 3.41Å; A984-C988 VanDerWaalsContact O-N 3.14Å; A984-C988 PolarHBondContact O-SG 2.97Å; A984-C988 VanDerWaalsContact O-SG 3.42Å |
| 985 | W | 88.3 | Confident | 86.7 | Confident | 11 Ų | 11 | 63.6 Ų | 63.6 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 176.1 | -176.6 | -128.9 | 0 | 0 | 0 | 112.1 | M848 R853 L857 E858 A861 I978 N982 Q987 C988 L989 | M848-W985 PolarHBondContact O-NE1 3.35Å; R853-W985 VanDerWaalsContact NH1-CE3 3.3Å; L857-W985 HydrophobicContact CD2-CZ2 4.48Å; L857-W985 HydrophobicContact CG-CH2 4.31Å; L857-W985 HydrophobicContact CG-CZ2 4.4Å; E858-W985 HydrophobicContact CG-CZ3 4.42Å; A861-W985 HydrophobicContact CB-CH2 3.48Å; A861-W985 VanDerWaalsContact CB-CH2 3.48Å; A861-W985 HydrophobicContact CB-CZ3 3.59Å; I978-W985 HydrophobicContact CG2-CG 4.46Å; N982-W985 HydrophobicContact CB-CB 4.1Å; N982-W985 PolarHBondContact O-N 3.12Å; N982-W985 PolarHBondContact OD1-N 3.29Å; N982-W985 VanDerWaalsContact OD1-N 3.14Å; W985-Q987 VanDerWaalsContact C-N 3.31Å; W985-Q987 PolarHBondContact O-N 3Å; W985-C988 HydrophobicContact CE3-CB 4.23Å; W985-C988 WeakPolarHBondContact O-CB 3.47Å; W985-C988 PolarHBondContact O-N 3.02Å; W985-L989 HydrophobicContact CD2-CD1 4.39Å; W985-L989 HydrophobicContact CD2-CG 4.47Å; W985-L989 HydrophobicContact CG-CD1 4.37Å; W985-L989 HydrophobicContact CZ2-CD2 4.12Å; W985-L989 HydrophobicContact CZ2-CG 4.43Å; W985-L989 WeakPolarHBondContact O-CG 3.44Å; W985-L989 PolarHBondContact O-N 3.36Å; W985-L989 VanDerWaalsContact O-N 3.13Å |
| 986 | Y | 87.2 | Confident | 86.4 | Confident | 48 Ų | 48 | 67.5 Ų | 67.5 | 19% | 0.188 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.7 | -42.6 | 173.4 | -175.6 | -98 | 0 | 0 | 0 | 112.3 | L975 I978 Q979 N982 C988 L989 M990 | L975-Y986 HydrophobicContact CD1-CD2 4.08Å; L975-Y986 HydrophobicContact CD1-CE2 3.79Å; L975-Y986 HydrophobicContact CG-CE2 4.01Å; I978-Y986 HydrophobicContact CG2-CD2 4.47Å; Q979-Y986 HydrophobicContact CB-CD2 3.72Å; Q979-Y986 HydrophobicContact CB-CE2 3.77Å; Q979-Y986 HydrophobicContact CB-CG 4.16Å; Q979-Y986 HydrophobicContact CG-CD1 4.2Å; Q979-Y986 HydrophobicContact CG-CD2 4.14Å; Q979-Y986 HydrophobicContact CG-CE1 4.06Å; Q979-Y986 HydrophobicContact CG-CE2 4Å; Q979-Y986 HydrophobicContact CG-CG 4.23Å; N982-Y986 PolarHBondContact O-N 2.73Å; Y986-C988 PolarHBondContact O-N 3.44Å; Y986-L989 PolarHBondContact O-N 3.1Å; Y986-M990 HydrophobicContact CD1-CG 4.14Å; Y986-M990 HydrophobicContact CD2-CG 4.34Å; Y986-M990 HydrophobicContact CE1-CG 3.81Å; Y986-M990 HydrophobicContact CE2-CG 4.04Å; Y986-M990 HydrophobicContact CE2-SD 4.33Å; Y986-M990 HydrophobicContact CG-CG 4.39Å; Y986-M990 WeakPolarHBondContact O-CB 3.35Å; Y986-M990 WeakPolarHBondContact O-CG 3.5Å; Y986-M990 PolarHBondContact O-N 3.14Å; Y986-M990 VanDerWaalsContact O-N 3.12Å; Y986-M990 WeakPolarHBondContact OH-CE 3.46Å |
| 987 | Q | 85.9 | Confident | 86.3 | Confident | 139 Ų | 139 | 67.4 Ų | 67.4 | 65% | 0.65 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.5 | -40.1 | 176.2 | -77 | -177.3 | -2.1 | 0 | 0 | 112.5 | A983 A984 W985 L989 M990 A991 | A983-Q987 WeakPolarHBondContact O-CG 3.18Å; A983-Q987 PolarHBondContact O-N 2.77Å; A984-Q987 PolarHBondContact O-N 3.04Å; W985-Q987 VanDerWaalsContact C-N 3.31Å; W985-Q987 PolarHBondContact O-N 3Å; Q987-L989 VanDerWaalsContact C-N 3.33Å; Q987-L989 PolarHBondContact O-N 3.46Å; Q987-M990 PolarHBondContact O-N 3.34Å; Q987-A991 WeakPolarHBondContact O-CB 3.1Å; Q987-A991 PolarHBondContact O-N 3.43Å |
| 988 | C | 86.9 | Confident | 86.1 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 47% | 0.466 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 176.7 | -68.6 | 0 | 0 | 0 | 0 | 112.8 | A984 W985 Y986 P992 | A984-C988 PolarHBondContact O-N 3.41Å; A984-C988 VanDerWaalsContact O-N 3.14Å; A984-C988 PolarHBondContact O-SG 2.97Å; A984-C988 VanDerWaalsContact O-SG 3.42Å; W985-C988 HydrophobicContact CE3-CB 4.23Å; W985-C988 WeakPolarHBondContact O-CB 3.47Å; W985-C988 PolarHBondContact O-N 3.02Å; Y986-C988 PolarHBondContact O-N 3.44Å; C988-P992 WeakPolarHBondContact O-CD 3.24Å |
| 989 | L | 86.9 | Confident | 86 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.5 | -32.8 | 178.5 | -68.5 | 165 | 0 | 0 | 0 | 112.7 | M848 A861 I864 I865 I978 W985 Y986 Q987 | M848-L989 HydrophobicContact CE-CD1 3.85Å; M848-L989 HydrophobicContact CG-CD2 4.44Å; A861-L989 WeakPolarHBondContact O-CD2 3.29Å; I864-L989 HydrophobicContact CB-CD2 4.32Å; I864-L989 HydrophobicContact CD1-CD2 4.16Å; I865-L989 HydrophobicContact CG1-CB 3.97Å; I865-L989 HydrophobicContact CG1-CD2 4.36Å; I978-L989 HydrophobicContact CG2-CD1 4.34Å; W985-L989 HydrophobicContact CD2-CD1 4.39Å; W985-L989 HydrophobicContact CD2-CG 4.47Å; W985-L989 HydrophobicContact CG-CD1 4.37Å; W985-L989 HydrophobicContact CZ2-CD2 4.12Å; W985-L989 HydrophobicContact CZ2-CG 4.43Å; W985-L989 WeakPolarHBondContact O-CG 3.44Å; W985-L989 PolarHBondContact O-N 3.36Å; W985-L989 VanDerWaalsContact O-N 3.13Å; Y986-L989 PolarHBondContact O-N 3.1Å; Q987-L989 VanDerWaalsContact C-N 3.33Å; Q987-L989 PolarHBondContact O-N 3.46Å |
| 990 | M | 86.5 | Confident | 85.9 | Confident | 39 Ų | 39 | 70.4 Ų | 70.4 | 19% | 0.192 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -96.5 | -23.3 | -172.7 | -62 | -71.4 | -75.8 | 0 | 0 | 114.1 | Y986 Q987 L993 L1001 | Y986-M990 HydrophobicContact CD1-CG 4.14Å; Y986-M990 HydrophobicContact CD2-CG 4.34Å; Y986-M990 HydrophobicContact CE1-CG 3.81Å; Y986-M990 HydrophobicContact CE2-CG 4.04Å; Y986-M990 HydrophobicContact CE2-SD 4.33Å; Y986-M990 HydrophobicContact CG-CG 4.39Å; Y986-M990 WeakPolarHBondContact O-CB 3.35Å; Y986-M990 WeakPolarHBondContact O-CG 3.5Å; Y986-M990 PolarHBondContact O-N 3.14Å; Y986-M990 VanDerWaalsContact O-N 3.12Å; Y986-M990 WeakPolarHBondContact OH-CE 3.46Å; Q987-M990 PolarHBondContact O-N 3.34Å; M990-L993 HydrophobicContact CB-CD1 4.46Å; M990-L993 HydrophobicContact CE-CD1 4.17Å; M990-L993 PolarHBondContact O-N 2.97Å; M990-L993 HydrophobicContact SD-CD1 3.65Å; M990-L1001 HydrophobicContact CE-CD2 3.55Å; M990-L1001 HydrophobicContact SD-CD2 3.91Å |
| 991 | A | 84.1 | Confident | 86 | Confident | 85 Ų | 85 | 64.9 Ų | 64.9 | 70% | 0.702 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -36.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q987 | Q987-A991 WeakPolarHBondContact O-CB 3.1Å; Q987-A991 PolarHBondContact O-N 3.43Å |
| 992 | P | 83.6 | Confident | 85.9 | Confident | 66 Ų | 66 | 66.9 Ų | 66.9 | 43% | 0.429 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -0.3 | -177.3 | 26.1 | -20.6 | 0 | 0 | 0 | 114.5 | G862 C988 | G862-P992 VanDerWaalsContact O-CG 3.29Å; G862-P992 WeakPolarHBondContact O-CG 3.27Å; C988-P992 WeakPolarHBondContact O-CD 3.24Å |
| 993 | L | 86.3 | Confident | 86 | Confident | 9 Ų | 9 | 68.1 Ų | 68.1 | 5% | 0.047 | 38% | 0.376 | C | S | . | . | trans | -74.1 | 133.2 | -175.6 | -63.4 | 173.7 | 0 | 0 | 0 | 112.7 | I865 P866 L869 M990 Q997 K998 | I865-L993 HydrophobicContact CB-CD2 4.01Å; I865-L993 HydrophobicContact CG2-CD1 3.9Å; I865-L993 HydrophobicContact CG2-CD2 3.72Å; I865-L993 HydrophobicContact CG2-CG 4.4Å; P866-L993 HydrophobicContact CG-CD2 4Å; L869-L993 HydrophobicContact CD1-CD2 4.27Å; M990-L993 HydrophobicContact CB-CD1 4.46Å; M990-L993 HydrophobicContact CE-CD1 4.17Å; M990-L993 PolarHBondContact O-N 2.97Å; M990-L993 HydrophobicContact SD-CD1 3.65Å; L993-Q997 HydrophobicContact CB-CB 4.33Å; L993-Q997 HydrophobicContact CD2-CB 4.13Å; L993-K998 HydrophobicContact CB-CG 4.14Å; L993-K998 VanDerWaalsContact O-CE 3.29Å; L993-K998 WeakPolarHBondContact O-CE 3.37Å | ||
| 994 | S | 87.8 | Confident | 86.2 | Confident | 59 Ų | 59 | 65.7 Ų | 65.7 | 41% | 0.413 | 35% | 0.354 | S | S | . | . | trans | -67.9 | 163 | 169.5 | 76.8 | 0 | 0 | 0 | 0 | 111.5 | D996 Q997 K998 | S994-D996 PolarHBondContact O-N 3.23Å; S994-Q997 PolarHBondContact O-N 3.48Å; S994-Q997 WeakPolarHBondContact OG-CG 3.24Å; S994-Q997 PolarHBondContact OG-N 3.1Å; S994-K998 WeakPolarHBondContact O-CG 3.48Å; S994-K998 PolarHBondContact O-N 3.34Å | ||
| 995 | D | 84.2 | Confident | 86.2 | Confident | 113 Ų | 113 | 67 Ų | 67 | 60% | 0.604 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66 | -28.1 | 178.8 | -71.3 | -25 | 0 | 0 | 0 | 112.8 | K998 K999 | D995-K998 IonicContact OD1-NZ 3.82Å; D995-K998 PolarHBondContact OD1-NZ 2.99Å; D995-K999 WeakPolarHBondContact O-CG 3.33Å; D995-K999 PolarHBondContact O-N 3.48Å |
| 996 | D | 83.2 | Confident | 86 | Confident | 97 Ų | 97 | 69.4 Ų | 69.4 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -74.7 | -38.4 | 173.6 | -70.6 | -27.7 | 0 | 0 | 0 | 112.3 | S994 K998 K999 Q1000 | S994-D996 PolarHBondContact O-N 3.23Å; D996-K998 VanDerWaalsContact C-N 3.28Å; D996-K998 PolarHBondContact O-N 3.03Å; D996-K999 WeakPolarHBondContact O-CB 3.34Å; D996-K999 PolarHBondContact O-N 3.43Å; D996-K999 VanDerWaalsContact O-N 3.09Å; D996-K999 IonicContact OD1-NZ 2.74Å; D996-K999 PolarHBondContact OD1-NZ 2.97Å; D996-Q1000 PolarHBondContact O-N 3.42Å |
| 997 | Q | 86.4 | Confident | 85.9 | Confident | 48 Ų | 48 | 69 Ų | 69 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.2 | -36.2 | 171.9 | -76.7 | 174.9 | -27.2 | 0 | 0 | 111.9 | L869 L993 S994 K999 Q1000 L1001 | L869-Q997 HydrophobicContact CD1-CB 3.57Å; L869-Q997 HydrophobicContact CD1-CG 3.82Å; L993-Q997 HydrophobicContact CB-CB 4.33Å; L993-Q997 HydrophobicContact CD2-CB 4.13Å; S994-Q997 PolarHBondContact O-N 3.48Å; S994-Q997 WeakPolarHBondContact OG-CG 3.24Å; S994-Q997 PolarHBondContact OG-N 3.1Å; Q997-K999 VanDerWaalsContact C-N 3.34Å; Q997-K999 PolarHBondContact O-N 3.1Å; Q997-Q1000 PolarHBondContact O-N 3.39Å; Q997-L1001 WeakPolarHBondContact O-CB 3.34Å; Q997-L1001 PolarHBondContact O-N 3.4Å |
| 998 | K | 85.9 | Confident | 85.8 | Confident | 87 Ų | 87 | 62.5 Ų | 62.5 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -64.7 | -35.8 | 173 | -69.1 | 172.5 | -158.9 | 152.6 | 0 | 112.4 | L993 S994 D995 D996 Q1002 | L993-K998 HydrophobicContact CB-CG 4.14Å; L993-K998 VanDerWaalsContact O-CE 3.29Å; L993-K998 WeakPolarHBondContact O-CE 3.37Å; S994-K998 WeakPolarHBondContact O-CG 3.48Å; S994-K998 PolarHBondContact O-N 3.34Å; D995-K998 IonicContact OD1-NZ 3.82Å; D995-K998 PolarHBondContact OD1-NZ 2.99Å; D996-K998 VanDerWaalsContact C-N 3.28Å; D996-K998 PolarHBondContact O-N 3.03Å; K998-Q1002 WeakPolarHBondContact O-CG 3.14Å; K998-Q1002 PolarHBondContact O-N 2.91Å |
| 999 | K | 85.6 | Confident | 85.6 | Confident | 126 Ų | 126 | 64.6 Ų | 64.6 | 55% | 0.548 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.9 | -45.2 | 173.9 | -68.7 | 172.5 | -163.9 | 155.1 | 0 | 111.4 | D995 D996 Q997 L1001 Q1002 E1003 | D995-K999 WeakPolarHBondContact O-CG 3.33Å; D995-K999 PolarHBondContact O-N 3.48Å; D996-K999 WeakPolarHBondContact O-CB 3.34Å; D996-K999 PolarHBondContact O-N 3.43Å; D996-K999 VanDerWaalsContact O-N 3.09Å; D996-K999 IonicContact OD1-NZ 2.74Å; D996-K999 PolarHBondContact OD1-NZ 2.97Å; Q997-K999 VanDerWaalsContact C-N 3.34Å; Q997-K999 PolarHBondContact O-N 3.1Å; K999-L1001 VanDerWaalsContact C-N 3.26Å; K999-L1001 PolarHBondContact O-N 3.5Å; K999-Q1002 WeakPolarHBondContact O-CB 3.42Å; K999-Q1002 PolarHBondContact O-N 3.16Å; K999-Q1002 VanDerWaalsContact O-N 3.07Å; K999-E1003 PolarHBondContact O-N 3.47Å |
| 1000 | Q | 86.3 | Confident | 85.4 | Confident | 65 Ų | 65 | 71 Ų | 71 | 30% | 0.304 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.4 | -41.3 | 175.2 | -70.6 | 177 | -2.7 | 0 | 0 | 111.3 | L869 D996 Q997 Q1002 E1003 I1004 | L869-Q1000 HydrophobicContact CD2-CB 4.23Å; D996-Q1000 PolarHBondContact O-N 3.42Å; Q997-Q1000 PolarHBondContact O-N 3.39Å; Q1000-Q1002 VanDerWaalsContact C-N 3.33Å; Q1000-Q1002 PolarHBondContact O-N 2.94Å; Q1000-E1003 WeakPolarHBondContact O-CB 3.29Å; Q1000-E1003 PolarHBondContact O-N 3.45Å; Q1000-E1003 VanDerWaalsContact O-N 3.16Å; Q1000-I1004 WeakPolarHBondContact O-CG1 3.5Å; Q1000-I1004 PolarHBondContact O-N 3.4Å |
| 1001 | L | 88.1 | Confident | 85 | Confident | 20 Ų | 20 | 72.2 Ų | 72.2 | 11% | 0.105 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.8 | -37.8 | 175.7 | -170.6 | 68.5 | 0 | 0 | 0 | 112.7 | L869 F971 L975 M990 Q997 K999 I1004 Y1005 | L869-L1001 HydrophobicContact CD2-CB 4.37Å; L869-L1001 HydrophobicContact CD2-CD1 4.29Å; F971-L1001 HydrophobicContact CE1-CD1 3.59Å; F971-L1001 HydrophobicContact CZ-CD1 3.84Å; L975-L1001 HydrophobicContact CD2-CD1 4Å; L975-L1001 HydrophobicContact CD2-CD2 4.2Å; M990-L1001 HydrophobicContact CE-CD2 3.55Å; M990-L1001 HydrophobicContact SD-CD2 3.91Å; Q997-L1001 WeakPolarHBondContact O-CB 3.34Å; Q997-L1001 PolarHBondContact O-N 3.4Å; K999-L1001 VanDerWaalsContact C-N 3.26Å; K999-L1001 PolarHBondContact O-N 3.5Å; L1001-I1004 PolarHBondContact O-N 3.22Å; L1001-Y1005 PolarHBondContact O-N 3.13Å; L1001-Y1005 VanDerWaalsContact O-N 3.08Å |
| 1002 | Q | 85.4 | Confident | 84.6 | Confident | 140 Ų | 140 | 74.4 Ų | 74.4 | 65% | 0.654 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.6 | -36.4 | 173.5 | -71.3 | 175.8 | 0 | 0 | 0 | 112.2 | K998 K999 Q1000 Y1005 S1006 | K998-Q1002 WeakPolarHBondContact O-CG 3.14Å; K998-Q1002 PolarHBondContact O-N 2.91Å; K999-Q1002 WeakPolarHBondContact O-CB 3.42Å; K999-Q1002 PolarHBondContact O-N 3.16Å; K999-Q1002 VanDerWaalsContact O-N 3.07Å; Q1000-Q1002 VanDerWaalsContact C-N 3.33Å; Q1000-Q1002 PolarHBondContact O-N 2.94Å; Q1002-Y1005 WeakPolarHBondContact O-CB 3.26Å; Q1002-Y1005 PolarHBondContact O-N 3.38Å; Q1002-S1006 PolarHBondContact O-N 2.94Å |
| 1003 | E | 87.3 | Confident | 83.8 | Confident | 81 Ų | 81 | 74 Ų | 74 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.5 | -44.5 | 174.5 | -169.3 | -177 | 178.1 | 0 | 0 | 111.5 | K876 K999 Q1000 Y1005 S1006 I1007 | K876-E1003 IonicContact NZ-OE1 2.69Å; K876-E1003 PolarHBondContact NZ-OE1 3.4Å; K876-E1003 IonicContact NZ-OE2 2.93Å; K876-E1003 PolarHBondContact NZ-OE2 3.2Å; K999-E1003 PolarHBondContact O-N 3.47Å; Q1000-E1003 WeakPolarHBondContact O-CB 3.29Å; Q1000-E1003 PolarHBondContact O-N 3.45Å; Q1000-E1003 VanDerWaalsContact O-N 3.16Å; E1003-Y1005 VanDerWaalsContact C-N 3.26Å; E1003-Y1005 PolarHBondContact O-N 3.06Å; E1003-S1006 PolarHBondContact O-N 3.03Å; E1003-S1006 VanDerWaalsContact O-N 3.16Å; E1003-S1006 PolarHBondContact O-OG 3.12Å; E1003-I1007 HydrophobicContact CG-CD1 4.05Å; E1003-I1007 VanDerWaalsContact O-CG1 3.32Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.4Å; E1003-I1007 PolarHBondContact O-N 2.86Å |
| 1004 | I | 88.4 | Confident | 82.7 | Confident | 12 Ų | 12 | 77.7 Ų | 77.7 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -58.7 | -41.1 | 174.2 | -70 | 163.1 | 0 | 0 | 0 | 110.7 | L869 F872 Y968 F971 Q1000 L1001 S1006 I1007 S1008 | L869-I1004 HydrophobicContact CD2-CD1 3.4Å; L869-I1004 VanDerWaalsContact CD2-CD1 3.4Å; F872-I1004 HydrophobicContact CB-CD1 3.88Å; F872-I1004 HydrophobicContact CB-CG1 4.44Å; F872-I1004 HydrophobicContact CD2-CD1 3.55Å; F872-I1004 HydrophobicContact CD2-CG1 4.33Å; F872-I1004 HydrophobicContact CE2-CD1 4.22Å; F872-I1004 HydrophobicContact CE2-CG2 4.24Å; F872-I1004 HydrophobicContact CG-CD1 3.78Å; F872-I1004 HydrophobicContact CG-CG1 4.24Å; F872-I1004 HydrophobicContact CZ-CG2 4.3Å; Y968-I1004 HydrophobicContact CD1-CB 4.44Å; Y968-I1004 HydrophobicContact CD1-CG2 3.88Å; Y968-I1004 HydrophobicContact CE1-CG1 4.27Å; Y968-I1004 HydrophobicContact CE1-CG2 4.43Å; F971-I1004 HydrophobicContact CD1-CG2 4.04Å; F971-I1004 HydrophobicContact CE1-CG2 4.31Å; Q1000-I1004 WeakPolarHBondContact O-CG1 3.5Å; Q1000-I1004 PolarHBondContact O-N 3.4Å; L1001-I1004 PolarHBondContact O-N 3.22Å; I1004-S1006 PolarHBondContact O-N 3.37Å; I1004-I1007 PolarHBondContact O-N 3.3Å; I1004-S1008 VanDerWaalsContact O-CB 3.29Å; I1004-S1008 WeakPolarHBondContact O-CB 3.5Å; I1004-S1008 PolarHBondContact O-N 2.98Å |
| 1005 | Y | 85.7 | Confident | 81.2 | Confident | 93 Ų | 93 | 77.8 Ų | 77.8 | 37% | 0.365 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 177.1 | -163.1 | -95.7 | 0 | 0 | 0 | 112.4 | T972 L976 L1001 Q1002 E1003 Q1009 | T972-Y1005 HydrophobicContact CG2-CD2 3.31Å; T972-Y1005 HydrophobicContact CG2-CE2 3.39Å; T972-Y1005 HydrophobicContact CG2-CG 4.32Å; L976-Y1005 HydrophobicContact CD1-CE2 3.86Å; L976-Y1005 HydrophobicContact CD2-CE2 4.02Å; L976-Y1005 HydrophobicContact CG-CE2 4.08Å; L1001-Y1005 PolarHBondContact O-N 3.13Å; L1001-Y1005 VanDerWaalsContact O-N 3.08Å; Q1002-Y1005 WeakPolarHBondContact O-CB 3.26Å; Q1002-Y1005 PolarHBondContact O-N 3.38Å; E1003-Y1005 VanDerWaalsContact C-N 3.26Å; E1003-Y1005 PolarHBondContact O-N 3.06Å; Y1005-Q1009 HydrophobicContact CD1-CG 4.46Å; Y1005-Q1009 HydrophobicContact CE1-CG 4.33Å; Y1005-Q1009 WeakPolarHBondContact O-CG 3.46Å; Y1005-Q1009 PolarHBondContact O-N 3.32Å; Y1005-Q1009 VanDerWaalsContact O-N 3.09Å |
| 1006 | S | 84.8 | Confident | 79.7 | Confident | 62 Ų | 62 | 76 Ų | 76 | 43% | 0.434 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.3 | -42.1 | 178.2 | 71.9 | 0 | 0 | 0 | 0 | 111.9 | Q1002 E1003 I1004 S1008 Q1009 Q1010 | Q1002-S1006 PolarHBondContact O-N 2.94Å; E1003-S1006 PolarHBondContact O-N 3.03Å; E1003-S1006 VanDerWaalsContact O-N 3.16Å; E1003-S1006 PolarHBondContact O-OG 3.12Å; I1004-S1006 PolarHBondContact O-N 3.37Å; S1006-S1008 PolarHBondContact O-N 2.61Å; S1006-Q1009 PolarHBondContact O-N 2.92Å; S1006-Q1010 PolarHBondContact O-N 2.85Å |
| 1007 | I | 84.3 | Confident | 77.9 | Confident | 39 Ų | 39 | 80.1 Ų | 80.1 | 20% | 0.2 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.5 | -45.6 | 174.4 | -66.5 | 167.8 | 0 | 0 | 0 | 110.4 | Y968 E1003 I1004 Q1009 Q1010 R1011 | Y968-I1007 HydrophobicContact CD1-CB 4.1Å; Y968-I1007 HydrophobicContact CD1-CG2 3.72Å; Y968-I1007 HydrophobicContact CE1-CB 4.27Å; Y968-I1007 HydrophobicContact CE1-CD1 4.16Å; Y968-I1007 HydrophobicContact CE1-CG2 3.85Å; Y968-I1007 HydrophobicContact CG-CG2 4.18Å; E1003-I1007 HydrophobicContact CG-CD1 4.05Å; E1003-I1007 VanDerWaalsContact O-CG1 3.32Å; E1003-I1007 WeakPolarHBondContact O-CG1 3.4Å; E1003-I1007 PolarHBondContact O-N 2.86Å; I1004-I1007 PolarHBondContact O-N 3.3Å; I1007-Q1009 VanDerWaalsContact C-N 3.33Å; I1007-Q1009 PolarHBondContact O-N 3.42Å; I1007-Q1010 WeakPolarHBondContact O-CB 3.19Å; I1007-Q1010 PolarHBondContact O-N 3.28Å; I1007-Q1010 VanDerWaalsContact O-N 3.15Å; I1007-R1011 WeakPolarHBondContact O-CG 3.33Å; I1007-R1011 PolarHBondContact O-N 2.86Å; I1007-R1011 HydrophobicContact CG2-CG 4.42Å |
| 1008 | S | 85.4 | Confident | 75.9 | Confident | 3 Ų | 3 | 81 Ų | 81 | 2% | 0.021 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -58 | -43.3 | 176.7 | -172 | 0 | 0 | 0 | 0 | 112.1 | Y968 T972 I1004 S1006 R1012 | Y968-S1008 WeakPolarHBondContact O-CB 3.45Å; Y968-S1008 PolarHBondContact O-OG 3.31Å; T972-S1008 WeakPolarHBondContact OG1-CB 3.09Å; T972-S1008 PolarHBondContact OG1-OG 2.77Å; I1004-S1008 VanDerWaalsContact O-CB 3.29Å; I1004-S1008 WeakPolarHBondContact O-CB 3.5Å; I1004-S1008 PolarHBondContact O-N 2.98Å; S1006-S1008 PolarHBondContact O-N 2.61Å; S1008-R1012 WeakPolarHBondContact O-CB 3.36Å; S1008-R1012 PolarHBondContact O-N 3.45Å |
| 1009 | Q | 82.5 | Confident | 73.3 | Confident | 113 Ų | 113 | 88.5 Ų | 88.5 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -66 | -39.7 | 175.1 | -73 | -166.7 | -8.5 | 0 | 0 | 112.8 | Y1005 S1006 I1007 R1012 S1013 | Y1005-Q1009 HydrophobicContact CD1-CG 4.46Å; Y1005-Q1009 HydrophobicContact CE1-CG 4.33Å; Y1005-Q1009 WeakPolarHBondContact O-CG 3.46Å; Y1005-Q1009 PolarHBondContact O-N 3.32Å; Y1005-Q1009 VanDerWaalsContact O-N 3.09Å; S1006-Q1009 PolarHBondContact O-N 2.92Å; I1007-Q1009 VanDerWaalsContact C-N 3.33Å; I1007-Q1009 PolarHBondContact O-N 3.42Å; Q1009-R1012 PolarHBondContact O-N 3.22Å; Q1009-S1013 WeakPolarHBondContact O-CB 3.19Å; Q1009-S1013 PolarHBondContact O-N 3.46Å |
| 1010 | Q | 81.2 | Confident | 72.7 | Confident | 133 Ų | 133 | 86.7 Ų | 86.7 | 62% | 0.621 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -63.3 | -46.5 | 177.3 | -174 | 177.4 | -9.2 | 0 | 0 | 111.4 | S1006 I1007 S1013 T1014 | S1006-Q1010 PolarHBondContact O-N 2.85Å; I1007-Q1010 WeakPolarHBondContact O-CB 3.19Å; I1007-Q1010 PolarHBondContact O-N 3.28Å; I1007-Q1010 VanDerWaalsContact O-N 3.15Å; Q1010-S1013 PolarHBondContact O-N 3.08Å; Q1010-S1013 PolarHBondContact O-OG 3.45Å; Q1010-T1014 PolarHBondContact O-N 3.48Å; Q1010-T1014 PolarHBondContact O-OG1 3.42Å; Q1010-T1014 VanDerWaalsContact O-N 3.13Å |
| 1011 | R | 79.8 | Confident | 72 | Confident | 65 Ų | 65 | 87.8 Ų | 87.8 | 25% | 0.245 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.1 | -70.3 | -172.8 | 179.4 | -169.3 | -1.7 | 112.4 | D966 E967 I1007 S1013 T1014 A1015 | D966-R1011 IonicContact OD1-NH1 2.85Å; D966-R1011 PolarHBondContact OD1-NH1 3.09Å; D966-R1011 WeakPolarHBondContact OD2-CB 3.15Å; D966-R1011 WeakPolarHBondContact OD2-CD 3.5Å; E967-R1011 IonicContact OE1-NH1 3.67Å; E967-R1011 PolarHBondContact OE1-NH1 3.24Å; E967-R1011 VanDerWaalsContact OE1-NH1 3.15Å; I1007-R1011 WeakPolarHBondContact O-CG 3.33Å; I1007-R1011 PolarHBondContact O-N 2.86Å; I1007-R1011 HydrophobicContact CG2-CG 4.42Å; R1011-S1013 VanDerWaalsContact C-N 3.31Å; R1011-S1013 PolarHBondContact O-N 3.23Å; R1011-T1014 VanDerWaalsContact CA-OG1 3.31Å; R1011-T1014 WeakPolarHBondContact CA-OG1 3.22Å; R1011-T1014 PolarHBondContact O-N 3.3Å; R1011-T1014 PolarHBondContact O-OG1 2.89Å; R1011-A1015 PolarHBondContact O-N 3.03Å |
| 1012 | R | 74.2 | Confident | 71.1 | Confident | 131 Ų | 131 | 91.6 Ų | 91.6 | 49% | 0.494 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -38.1 | 173.9 | -175.5 | 177.3 | -87.4 | 177.1 | -2.6 | 112.6 | S973 S1008 Q1009 A1016 | S973-R1012 PolarHBondContact OG-NH2 3.35Å; S1008-R1012 WeakPolarHBondContact O-CB 3.36Å; S1008-R1012 PolarHBondContact O-N 3.45Å; Q1009-R1012 PolarHBondContact O-N 3.22Å; R1012-A1016 PolarHBondContact O-N 2.95Å; R1012-A1016 WeakPolarHBondContact O-CB 3.39Å |
| 1013 | S | 67.4 | Low | 70.3 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 41% | 0.413 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.8 | -25 | 180 | 76.1 | 0 | 0 | 0 | 0 | 114.4 | Q1009 Q1010 R1011 K1017 | Q1009-S1013 WeakPolarHBondContact O-CB 3.19Å; Q1009-S1013 PolarHBondContact O-N 3.46Å; Q1010-S1013 PolarHBondContact O-N 3.08Å; Q1010-S1013 PolarHBondContact O-OG 3.45Å; R1011-S1013 VanDerWaalsContact C-N 3.31Å; R1011-S1013 PolarHBondContact O-N 3.23Å; S1013-K1017 WeakPolarHBondContact O-CG 3.5Å |
| 1014 | T | 62.1 | Low | 69.2 | Low | 85 Ų | 85 | 89.2 Ų | 89.2 | 52% | 0.521 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -82.6 | -41.4 | 176.3 | 31.1 | 0 | 0 | 0 | 0 | 111.1 | Q1010 R1011 A1016 K1017 | Q1010-T1014 PolarHBondContact O-N 3.48Å; Q1010-T1014 PolarHBondContact O-OG1 3.42Å; Q1010-T1014 VanDerWaalsContact O-N 3.13Å; R1011-T1014 VanDerWaalsContact CA-OG1 3.31Å; R1011-T1014 WeakPolarHBondContact CA-OG1 3.22Å; R1011-T1014 PolarHBondContact O-N 3.3Å; R1011-T1014 PolarHBondContact O-OG1 2.89Å; T1014-A1016 VanDerWaalsContact C-N 3.28Å; T1014-A1016 PolarHBondContact O-N 3.32Å; T1014-K1017 PolarHBondContact O-N 3.21Å; T1014-K1017 VanDerWaalsContact O-N 3.12Å |
| 1015 | A | 57.6 | Low | 67.9 | Low | 61 Ų | 61 | 94.3 Ų | 94.3 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.6 | -38.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1011 K1017 G1018 | R1011-A1015 PolarHBondContact O-N 3.03Å; A1015-K1017 VanDerWaalsContact C-N 3.26Å; A1015-K1017 PolarHBondContact O-N 3Å; A1015-G1018 PolarHBondContact O-N 3.42Å |
| 1016 | A | 53 | Low | 66.7 | Low | 77 Ų | 77 | 94.4 Ų | 94.4 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | R1012 T1014 | R1012-A1016 PolarHBondContact O-N 2.95Å; R1012-A1016 WeakPolarHBondContact O-CB 3.39Å; T1014-A1016 VanDerWaalsContact C-N 3.28Å; T1014-A1016 PolarHBondContact O-N 3.32Å |
| 1017 | K | 45.5 | Very low | 65.3 | Low | 182 Ų | 182 | 96.9 Ų | 96.9 | 79% | 0.791 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -6.2 | 177.6 | -75.8 | 179.4 | 179.6 | 177.5 | 0 | 113.6 | S1013 T1014 A1015 | S1013-K1017 WeakPolarHBondContact O-CG 3.5Å; T1014-K1017 PolarHBondContact O-N 3.21Å; T1014-K1017 VanDerWaalsContact O-N 3.12Å; A1015-K1017 VanDerWaalsContact C-N 3.26Å; A1015-K1017 PolarHBondContact O-N 3Å |
| 1018 | G | 43.1 | Very low | 63.7 | Low | 66 Ų | 66 | 101.8 Ų | 101.8 | 68% | 0.68 | 55% | 0.55 | S | S | * | . | trans | -103.9 | 15.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | A1015 | A1015-G1018 PolarHBondContact O-N 3.42Š| ||
| 1019 | H | 32.6 | Very low | 61.7 | Low | 246 Ų | 246 | 110.7 Ų | 110.7 | 100% | 1.139 | 60% | 0.598 | S | S | * | * | trans | -101.1 | 0 | 170.8 | -81.1 | -29.7 | 0 | 0 | 0 | 112.2 |
Retrieved 1,019 of 1,019 residues in 2419.6 ms
(Link to these results)