| 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 | 73 | Confident | 83.4 | Confident | 108 Ų | 108 | 79.7 Ų | 79.7 | 53% | 0.532 | 48% | 0.481 | S | S | . | . | 0 | -57.5 | 0 | -169.3 | 176.7 | -78.9 | 0 | 0 | 109.7 | L3 L4 I5 A33 L36 L37 | M1-L3 PolarHBondContact O-N 3.32Å; M1-L4 WeakPolarHBondContact O-CB 2.91Å; M1-L4 PolarHBondContact O-N 2.91Å; M1-I5 HydrophobicContact CG-CD1 3.96Å; M1-I5 WeakPolarHBondContact O-CG1 3.5Å; M1-I5 PolarHBondContact O-N 3.12Å; M1-A33 HydrophobicContact CE-CB 4.13Å; M1-A33 HydrophobicContact SD-CB 4.19Å; M1-L36 HydrophobicContact CB-CD2 4.22Å; M1-L36 HydrophobicContact CG-CD2 4.09Å; M1-L36 HydrophobicContact SD-CD2 4.13Å; M1-L37 HydrophobicContact SD-CD1 4.24Å; M1-L37 HydrophobicContact SD-CD2 4.01Å; M1-L37 HydrophobicContact SD-CG 3.94Å | |||
| 2 | D | 79.1 | Confident | 83.8 | Confident | 70 Ų | 70 | 76.4 Ų | 76.4 | 37% | 0.374 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -47.5 | -55.2 | 173.8 | -77.6 | -60.9 | 0 | 0 | 0 | 114 | L4 I5 E6 L36 R40 | D2-L4 PolarHBondContact O-N 3.44Å; D2-L4 VanDerWaalsContact O-N 3.16Å; D2-I5 PolarHBondContact O-N 2.88Å; D2-I5 VanDerWaalsContact O-N 3.09Å; D2-E6 WeakPolarHBondContact O-CG 3.47Å; D2-E6 PolarHBondContact O-N 3.41Å; D2-L36 HydrophobicContact CB-CD2 4.48Å; D2-L36 VanDerWaalsContact CG-CD2 3.42Å; D2-L36 WeakPolarHBondContact OD1-CD1 3.5Å; D2-L36 WeakPolarHBondContact OD1-CD2 3.24Å; D2-L36 VanDerWaalsContact OD2-CD2 3.3Å; D2-L36 WeakPolarHBondContact OD2-CD2 3.36Å; D2-R40 IonicContact OD1-NH2 3.96Å |
| 3 | L | 85.2 | Confident | 84.1 | Confident | 135 Ų | 135 | 74.2 Ų | 74.2 | 71% | 0.707 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -57.8 | -31.6 | 179.3 | -167.9 | 124 | 0 | 0 | 0 | 113.5 | M1 S7 | M1-L3 PolarHBondContact O-N 3.32Å; L3-S7 WeakPolarHBondContact O-CB 2.98Å; L3-S7 PolarHBondContact O-N 3.43Å; L3-S7 VanDerWaalsContact O-N 3.1Å; L3-S7 PolarHBondContact O-OG 3.44Å |
| 4 | L | 84.8 | Confident | 84.6 | Confident | 105 Ų | 105 | 76.9 Ų | 76.9 | 55% | 0.55 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -77 | -38.3 | 178.3 | -67.6 | 170.4 | 0 | 0 | 0 | 111.8 | M1 D2 S7 G8 A9 | M1-L4 WeakPolarHBondContact O-CB 2.91Å; M1-L4 PolarHBondContact O-N 2.91Å; D2-L4 PolarHBondContact O-N 3.44Å; D2-L4 VanDerWaalsContact O-N 3.16Å; L4-S7 WeakPolarHBondContact CA-OG 3.39Å; L4-S7 PolarHBondContact O-N 3.48Å; L4-S7 PolarHBondContact O-OG 2.74Å; L4-G8 PolarHBondContact O-N 2.85Å; L4-A9 HydrophobicContact CB-CB 4.22Å; L4-A9 WeakPolarHBondContact O-CB 3.45Å; L4-A9 PolarHBondContact O-N 2.63Å |
| 5 | I | 84.6 | Confident | 84.8 | Confident | 29 Ų | 29 | 75.2 Ų | 75.2 | 15% | 0.149 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 176.6 | -63.3 | 168.8 | 0 | 0 | 0 | 109.6 | M1 D2 S7 G8 V11 L37 R40 | M1-I5 HydrophobicContact CG-CD1 3.96Å; M1-I5 WeakPolarHBondContact O-CG1 3.5Å; M1-I5 PolarHBondContact O-N 3.12Å; D2-I5 PolarHBondContact O-N 2.88Å; D2-I5 VanDerWaalsContact O-N 3.09Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 3.43Å; I5-G8 PolarHBondContact O-N 3.03Å; I5-G8 VanDerWaalsContact O-N 3.09Å; I5-V11 HydrophobicContact CD1-CG1 3.93Å; I5-V11 HydrophobicContact CG1-CG1 3.99Å; I5-V11 HydrophobicContact CG2-CG1 3.88Å; I5-L37 HydrophobicContact CD1-CD2 4.09Å; I5-R40 HydrophobicContact CD1-CG 4.49Å; I5-R40 HydrophobicContact CG2-CB 4.24Å; I5-R40 HydrophobicContact CG2-CG 4.2Å |
| 6 | E | 84.2 | Confident | 85 | Confident | 126 Ų | 126 | 80.6 Ų | 80.6 | 59% | 0.589 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.9 | -30.9 | 175.1 | -72.6 | 173.7 | 178.9 | 0 | 0 | 112.7 | D2 G8 R40 | D2-E6 WeakPolarHBondContact O-CG 3.47Å; D2-E6 PolarHBondContact O-N 3.41Å; E6-G8 PolarHBondContact O-N 2.95Å; E6-R40 IonicContact OE1-CZ 3.52Å; E6-R40 IonicContact OE1-NH1 3.21Å; E6-R40 IonicContact OE1-NH2 3.76Å; E6-R40 PolarHBondContact OE1-NH2 3.4Å |
| 7 | S | 85.8 | Confident | 85.1 | Confident | 89 Ų | 89 | 80.2 Ų | 80.2 | 62% | 0.622 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | 13.5 | 171.9 | 71.5 | 0 | 0 | 0 | 0 | 114.1 | L3 L4 I5 | L3-S7 WeakPolarHBondContact O-CB 2.98Å; L3-S7 PolarHBondContact O-N 3.43Å; L3-S7 VanDerWaalsContact O-N 3.1Å; L3-S7 PolarHBondContact O-OG 3.44Å; L4-S7 WeakPolarHBondContact CA-OG 3.39Å; L4-S7 PolarHBondContact O-N 3.48Å; L4-S7 PolarHBondContact O-OG 2.74Å; I5-S7 VanDerWaalsContact C-N 3.29Å; I5-S7 PolarHBondContact O-N 3.43Å |
| 8 | G | 81.6 | Confident | 85.2 | Confident | 67 Ų | 67 | 83.1 Ų | 83.1 | 69% | 0.691 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.6 | 13.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L4 I5 E6 | L4-G8 PolarHBondContact O-N 2.85Å; I5-G8 PolarHBondContact O-N 3.03Å; I5-G8 VanDerWaalsContact O-N 3.09Å; E6-G8 PolarHBondContact O-N 2.95Å |
| 9 | A | 85.2 | Confident | 85.4 | Confident | 48 Ų | 48 | 80.2 Ų | 80.2 | 40% | 0.397 | 45% | 0.45 | S | S | . | . | trans | -67.6 | 133.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L4 V11 | L4-A9 HydrophobicContact CB-CB 4.22Å; L4-A9 WeakPolarHBondContact O-CB 3.45Å; L4-A9 PolarHBondContact O-N 2.63Å; A9-V11 PolarHBondContact O-N 3.08Å | ||
| 10 | S | 87.2 | Confident | 85.7 | Confident | 78 Ų | 78 | 76.3 Ų | 76.3 | 55% | 0.545 | 43% | 0.428 | S | S | . | . | trans | -70.1 | 120.9 | 179.2 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | N12 A13 | S10-N12 VanDerWaalsContact C-N 3.28Å; S10-N12 PolarHBondContact O-N 3.31Å; S10-A13 PolarHBondContact O-N 3.24Å; S10-A13 PolarHBondContact OG-N 3.02Å | ||
| 11 | V | 86.7 | Confident | 85.9 | Confident | 22 Ų | 22 | 74.7 Ų | 74.7 | 13% | 0.133 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22.7 | 178.6 | -67.5 | 0 | 0 | 0 | 0 | 113.7 | I5 A9 L37 R40 A42 | I5-V11 HydrophobicContact CD1-CG1 3.93Å; I5-V11 HydrophobicContact CG1-CG1 3.99Å; I5-V11 HydrophobicContact CG2-CG1 3.88Å; A9-V11 PolarHBondContact O-N 3.08Å; V11-L37 HydrophobicContact CB-CD2 4.5Å; V11-L37 HydrophobicContact CG1-CD2 4.4Å; V11-R40 HydrophobicContact CG1-CB 4.22Å; V11-A42 HydrophobicContact CB-CB 4.47Å |
| 12 | N | 88 | Confident | 86.8 | Confident | 40 Ų | 40 | 69.5 Ų | 69.5 | 21% | 0.214 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 17.8 | -179.4 | -67.4 | -36.6 | 0 | 0 | 0 | 112.7 | S10 K14 A42 E43 | S10-N12 VanDerWaalsContact C-N 3.28Å; S10-N12 PolarHBondContact O-N 3.31Å; N12-K14 PolarHBondContact O-N 3.5Å; N12-A42 WeakPolarHBondContact OD1-CA 3.36Å; N12-E43 PolarHBondContact OD1-N 2.72Å |
| 13 | A | 88.4 | Confident | 87.3 | Confident | 47 Ų | 47 | 66.3 Ų | 66.3 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | trans | -56.3 | 136.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S10 T20 P21 | S10-A13 PolarHBondContact O-N 3.24Å; S10-A13 PolarHBondContact OG-N 3.02Å; A13-T20 WeakPolarHBondContact O-CA 3.04Å; A13-P21 WeakPolarHBondContact O-CD 3.24Å | ||
| 14 | K | 90.3 | Very high | 87.6 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 49% | 0.487 | 37% | 0.369 | S | S | . | . | trans | -107.3 | 132 | 179.9 | -77.2 | -174.9 | 178.9 | -166.7 | 0 | 109.9 | N12 W18 T20 R47 | N12-K14 PolarHBondContact O-N 3.5Å; K14-W18 HydrophobicContact CD-CB 4.04Å; K14-W18 HydrophobicContact CD-CG 4.4Å; K14-T20 HydrophobicContact CG-CG2 4.02Å; K14-R47 PolarHBondContact NZ-O 3.08Å | ||
| 15 | D | 88.8 | Confident | 87.9 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | trans | -77.6 | -175.5 | 170 | 74.1 | 9.4 | 0 | 0 | 0 | 112 | I17 W18 L19 R24 | D15-I17 PolarHBondContact O-N 3.28Å; D15-I17 WeakPolarHBondContact OD1-CA 3.35Å; D15-I17 PolarHBondContact OD1-N 3.08Å; D15-W18 WeakPolarHBondContact O-CA 3.42Å; D15-W18 PolarHBondContact O-N 2.96Å; D15-W18 PolarHBondContact OD1-N 3.37Å; D15-W18 VanDerWaalsContact OD1-N 3.12Å; D15-L19 PolarHBondContact N-O 3.03Å; D15-L19 VanDerWaalsContact N-O 3.07Å; D15-L19 WeakPolarHBondContact OD1-CB 3.27Å; D15-L19 PolarHBondContact OD1-N 3.14Å; D15-R24 IonicContact OD2-CZ 3.68Å; D15-R24 IonicContact OD2-NE 2.85Å; D15-R24 IonicContact OD2-NH2 3.44Å; D15-R24 PolarHBondContact OD2-NH2 2.91Å | ||
| 16 | N | 88.2 | Confident | 88.2 | Confident | 162 Ų | 162 | 60.2 Ų | 60.2 | 87% | 0.866 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -15.2 | -179.2 | -65.8 | -13.6 | 0 | 0 | 0 | 114.2 | ||
| 17 | I | 85.7 | Confident | 88.5 | Confident | 74 Ų | 74 | 56 Ų | 56 | 38% | 0.379 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 8.6 | 177.1 | -45.6 | 177.5 | 0 | 0 | 0 | 110.4 | D15 L19 K49 F50 | D15-I17 PolarHBondContact O-N 3.28Å; D15-I17 WeakPolarHBondContact OD1-CA 3.35Å; D15-I17 PolarHBondContact OD1-N 3.08Å; I17-L19 HydrophobicContact CB-CD1 4.46Å; I17-L19 PolarHBondContact O-N 3.31Å; I17-K49 HydrophobicContact CG2-CB 4.11Å; I17-K49 WeakPolarHBondContact O-CB 3.37Å; I17-K49 PolarHBondContact O-N 3.49Å; I17-K49 VanDerWaalsContact O-N 3.09Å; I17-F50 HydrophobicContact CG2-CE2 4.39Å |
| 18 | W | 87.3 | Confident | 88.7 | Confident | 132 Ų | 132 | 55.5 Ų | 55.5 | 50% | 0.5 | 32% | 0.321 | S | S | . | . | trans | 66.8 | 20.1 | -177.8 | -54.9 | -9.9 | 0 | 0 | 0 | 114.6 | K14 D15 | K14-W18 HydrophobicContact CD-CB 4.04Å; K14-W18 HydrophobicContact CD-CG 4.4Å; D15-W18 WeakPolarHBondContact O-CA 3.42Å; D15-W18 PolarHBondContact O-N 2.96Å; D15-W18 PolarHBondContact OD1-N 3.37Å; D15-W18 VanDerWaalsContact OD1-N 3.12Å | ||
| 19 | L | 88.8 | Confident | 89.1 | Confident | 28 Ų | 28 | 58.7 Ų | 58.7 | 15% | 0.147 | 31% | 0.312 | C | S | . | . | trans | -76.9 | 132.7 | 174.3 | -64.4 | 165.5 | 0 | 0 | 0 | 109.7 | D15 I17 H23 D48 | D15-L19 PolarHBondContact N-O 3.03Å; D15-L19 VanDerWaalsContact N-O 3.07Å; D15-L19 WeakPolarHBondContact OD1-CB 3.27Å; D15-L19 PolarHBondContact OD1-N 3.14Å; I17-L19 HydrophobicContact CB-CD1 4.46Å; I17-L19 PolarHBondContact O-N 3.31Å; L19-H23 HydrophobicContact CB-CB 4.24Å; L19-H23 HydrophobicContact CD2-CB 3.73Å; L19-D48 HydrophobicContact CD2-CB 3.85Å; L19-D48 HydrophobicContact CG-CB 4.47Å | ||
| 20 | T | 91.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.006 | 31% | 0.313 | C | S | . | . | trans | -91.5 | 162.1 | 174.5 | 65.8 | 0 | 0 | 0 | 0 | 111.2 | A13 K14 L22 H23 R24 T46 | A13-T20 WeakPolarHBondContact O-CA 3.04Å; K14-T20 HydrophobicContact CG-CG2 4.02Å; T20-L22 PolarHBondContact O-N 3.24Å; T20-L22 PolarHBondContact OG1-N 3.5Å; T20-H23 PolarHBondContact N-ND1 3.42Å; T20-H23 WeakPolarHBondContact O-CB 3.33Å; T20-H23 PolarHBondContact O-N 3.48Å; T20-H23 PolarHBondContact OG1-N 3.33Å; T20-H23 PolarHBondContact OG1-ND1 2.69Å; T20-R24 PolarHBondContact O-N 3.45Å; T20-R24 VanDerWaalsContact O-N 3.13Å; T20-T46 HydrophobicContact CG2-CG2 4.24Å | ||
| 21 | P | 90.4 | Very high | 89.6 | Confident | 43 Ų | 43 | 60.5 Ų | 60.5 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -49.2 | -32.5 | 168.5 | -29.6 | 34.8 | 0 | 0 | 0 | 112.9 | A13 R24 A25 L37 | A13-P21 WeakPolarHBondContact O-CD 3.24Å; P21-R24 PolarHBondContact O-N 3.01Å; P21-A25 VanDerWaalsContact O-CB 3.31Å; P21-A25 WeakPolarHBondContact O-CB 3.39Å; P21-A25 PolarHBondContact O-N 2.9Å; P21-L37 HydrophobicContact CB-CD1 4.05Å; P21-L37 HydrophobicContact CB-CD2 4.24Å |
| 22 | L | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.3 | -39.9 | 176.1 | -166.3 | 62 | 0 | 0 | 0 | 112.8 | T20 A25 A26 V34 L37 L38 A42 P54 L70 | T20-L22 PolarHBondContact O-N 3.24Å; T20-L22 PolarHBondContact OG1-N 3.5Å; L22-A25 PolarHBondContact O-N 2.8Å; L22-A26 WeakPolarHBondContact O-CB 3.23Å; L22-A26 PolarHBondContact O-N 3.29Å; L22-V34 HydrophobicContact CD1-CB 4.39Å; L22-V34 HydrophobicContact CD1-CG1 4.05Å; L22-V34 HydrophobicContact CD1-CG2 4.33Å; L22-L37 HydrophobicContact CB-CD1 4.48Å; L22-L37 HydrophobicContact CD1-CB 4.09Å; L22-L37 HydrophobicContact CD1-CD1 4.24Å; L22-L38 HydrophobicContact CD1-CG 4.45Å; L22-L38 HydrophobicContact CD2-CD2 4.15Å; L22-A42 HydrophobicContact CD2-CB 4.26Å; L22-P54 HydrophobicContact CB-CG 4.3Å; L22-P54 HydrophobicContact CD2-CB 4.32Å; L22-P54 HydrophobicContact CD2-CG 3.93Å; L22-P54 HydrophobicContact CG-CB 4.03Å; L22-P54 HydrophobicContact CG-CG 3.95Å; L22-L70 HydrophobicContact CD1-CD2 4.16Å; L22-L70 HydrophobicContact CD2-CD2 3.98Å; L22-L70 HydrophobicContact CG-CD2 4.18Å |
| 23 | H | 91.2 | Very high | 89.7 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 172.2 | -70.6 | 85.1 | 0 | 0 | 0 | 111.5 | L19 T20 A26 A27 T46 Q52 P54 | L19-H23 HydrophobicContact CB-CB 4.24Å; L19-H23 HydrophobicContact CD2-CB 3.73Å; T20-H23 PolarHBondContact N-ND1 3.42Å; T20-H23 WeakPolarHBondContact O-CB 3.33Å; T20-H23 PolarHBondContact O-N 3.48Å; T20-H23 PolarHBondContact OG1-N 3.33Å; T20-H23 PolarHBondContact OG1-ND1 2.69Å; H23-A26 PolarHBondContact O-N 3.13Å; H23-A27 WeakPolarHBondContact O-CB 3.46Å; H23-A27 PolarHBondContact O-N 3.22Å; H23-T46 PolarHBondContact CE1-O 3.15Å; H23-T46 VanDerWaalsContact CE1-O 3.26Å; H23-T46 PolarHBondContact NE2-O 3.03Å; H23-Q52 PolarHBondContact NE2-O 2.58Å; H23-P54 WeakPolarHBondContact NE2-CD 3.48Å |
| 24 | R | 90.2 | Very high | 89.8 | Confident | 136 Ų | 136 | 66.3 Ų | 66.3 | 51% | 0.513 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.8 | -38 | 178.4 | -64.8 | -73.5 | -176.3 | -172.2 | -1.2 | 112 | D15 T20 P21 A27 S28 | D15-R24 IonicContact OD2-CZ 3.68Å; D15-R24 IonicContact OD2-NE 2.85Å; D15-R24 IonicContact OD2-NH2 3.44Å; D15-R24 PolarHBondContact OD2-NH2 2.91Å; T20-R24 PolarHBondContact O-N 3.45Å; T20-R24 VanDerWaalsContact O-N 3.13Å; P21-R24 PolarHBondContact O-N 3.01Å; R24-A27 PolarHBondContact O-N 2.86Å; R24-S28 WeakPolarHBondContact O-CB 3.44Å; R24-S28 PolarHBondContact O-N 2.88Å; R24-S28 PolarHBondContact O-OG 2.94Å |
| 25 | A | 90.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 5% | 0.05 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.7 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | P21 L22 S28 R29 N30 A33 V34 L37 | P21-A25 VanDerWaalsContact O-CB 3.31Å; P21-A25 WeakPolarHBondContact O-CB 3.39Å; P21-A25 PolarHBondContact O-N 2.9Å; L22-A25 PolarHBondContact O-N 2.8Å; A25-S28 WeakPolarHBondContact CA-OG 3.47Å; A25-S28 PolarHBondContact O-N 3.46Å; A25-S28 PolarHBondContact O-OG 3.28Å; A25-S28 VanDerWaalsContact O-OG 3.12Å; A25-R29 PolarHBondContact O-N 3.47Å; A25-N30 PolarHBondContact O-N 3.3Å; A25-N30 VanDerWaalsContact O-N 3.09Å; A25-A33 HydrophobicContact CB-CB 4Å; A25-V34 HydrophobicContact CB-CG2 3.68Å; A25-L37 HydrophobicContact CB-CD1 4.08Å |
| 26 | A | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L22 H23 S28 R29 P54 A58 A63 | L22-A26 WeakPolarHBondContact O-CB 3.23Å; L22-A26 PolarHBondContact O-N 3.29Å; H23-A26 PolarHBondContact O-N 3.13Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.36Å; A26-R29 PolarHBondContact O-N 2.86Å; A26-P54 HydrophobicContact CB-CB 4.36Å; A26-P54 WeakPolarHBondContact CB-O 3.4Å; A26-A58 HydrophobicContact CB-CB 4.14Å; A26-A63 WeakPolarHBondContact O-CB 3.38Å |
| 27 | A | 90.8 | Very high | 89.6 | Confident | 38 Ų | 38 | 53 Ų | 53 | 31% | 0.314 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.3 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | H23 R24 R29 V57 | H23-A27 WeakPolarHBondContact O-CB 3.46Å; H23-A27 PolarHBondContact O-N 3.22Å; R24-A27 PolarHBondContact O-N 2.86Å; A27-R29 VanDerWaalsContact C-N 3.27Å; A27-R29 PolarHBondContact O-N 2.65Å; A27-V57 HydrophobicContact CB-CG1 3.67Å |
| 28 | S | 90.1 | Very high | 89.7 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 54% | 0.538 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 2.6 | 179.2 | 58 | 0 | 0 | 0 | 0 | 114.6 | R24 A25 A26 N30 | R24-S28 WeakPolarHBondContact O-CB 3.44Å; R24-S28 PolarHBondContact O-N 2.88Å; R24-S28 PolarHBondContact O-OG 2.94Å; A25-S28 WeakPolarHBondContact CA-OG 3.47Å; A25-S28 PolarHBondContact O-N 3.46Å; A25-S28 PolarHBondContact O-OG 3.28Å; A25-S28 VanDerWaalsContact O-OG 3.12Å; A26-S28 VanDerWaalsContact C-N 3.34Å; A26-S28 PolarHBondContact O-N 3.36Å; S28-N30 PolarHBondContact O-N 3.22Å |
| 29 | R | 91.1 | Very high | 89.7 | Confident | 135 Ų | 135 | 54.1 Ų | 54.1 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59 | 24.7 | -179.3 | -48 | 176 | 179.4 | 178.7 | -2.1 | 114 | A25 A26 A27 E31 N61 A63 | A25-R29 PolarHBondContact O-N 3.47Å; A26-R29 PolarHBondContact O-N 2.86Å; A27-R29 VanDerWaalsContact C-N 3.27Å; A27-R29 PolarHBondContact O-N 2.65Å; R29-E31 PolarHBondContact O-N 2.93Å; R29-N61 PolarHBondContact NE-O 3.06Å; R29-N61 PolarHBondContact NH2-O 3.14Å; R29-A63 HydrophobicContact CB-CB 4.17Å; R29-A63 HydrophobicContact CG-CB 3.92Å |
| 30 | N | 91.9 | Very high | 89.6 | Confident | 77 Ų | 77 | 57.8 Ų | 57.8 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | trans | -91.7 | 91.1 | -175.1 | -168.1 | -19.1 | 0 | 0 | 0 | 111.9 | A25 S28 R32 A33 V34 C66 | A25-N30 PolarHBondContact O-N 3.3Å; A25-N30 VanDerWaalsContact O-N 3.09Å; S28-N30 PolarHBondContact O-N 3.22Å; N30-R32 VanDerWaalsContact C-N 3.31Å; N30-R32 PolarHBondContact O-N 3.25Å; N30-R32 PolarHBondContact OD1-N 3.33Å; N30-A33 HydrophobicContact CB-CB 4.06Å; N30-A33 PolarHBondContact O-N 2.86Å; N30-A33 PolarHBondContact OD1-N 3.21Å; N30-V34 WeakPolarHBondContact O-CG2 3.38Å; N30-V34 PolarHBondContact O-N 3.42Å; N30-C66 VanDerWaalsContact C-SG 3.55Å | ||
| 31 | E | 90.6 | Very high | 89.3 | Confident | 86 Ų | 86 | 60.2 Ų | 60.2 | 40% | 0.402 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56.7 | -41.4 | -179.4 | -176.9 | -167.5 | 163.5 | 0 | 0 | 113 | R29 A33 V34 G35 R65 C66 | R29-E31 PolarHBondContact O-N 2.93Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-A33 PolarHBondContact O-N 3.29Å; E31-V34 PolarHBondContact O-N 2.91Å; E31-G35 PolarHBondContact O-N 2.93Å; E31-R65 HydrophobicContact CB-CB 4.27Å; E31-R65 HydrophobicContact CG-CB 4.05Å; E31-R65 WeakPolarHBondContact OE2-CB 3.45Å; E31-R65 WeakPolarHBondContact OE2-CD 3.41Å; E31-R65 IonicContact OE2-NH1 2.77Å; E31-C66 PolarHBondContact N-SG 3.19Å; E31-C66 VanDerWaalsContact N-SG 3.38Å |
| 32 | R | 88.3 | Confident | 89 | Confident | 220 Ų | 220 | 58.5 Ų | 58.5 | 83% | 0.83 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -65 | -40.1 | -178.2 | -65 | -178.3 | -175.4 | 170.9 | 1.2 | 111.3 | N30 L36 | N30-R32 VanDerWaalsContact C-N 3.31Å; N30-R32 PolarHBondContact O-N 3.25Å; N30-R32 PolarHBondContact OD1-N 3.33Å; R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.42Å; R32-L36 PolarHBondContact O-N 3.13Å |
| 33 | A | 88.8 | Confident | 88.8 | Confident | 12 Ų | 12 | 64 Ų | 64 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.2 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M1 A25 N30 E31 L36 L37 | M1-A33 HydrophobicContact CE-CB 4.13Å; M1-A33 HydrophobicContact SD-CB 4.19Å; A25-A33 HydrophobicContact CB-CB 4Å; N30-A33 HydrophobicContact CB-CB 4.06Å; N30-A33 PolarHBondContact O-N 2.86Å; N30-A33 PolarHBondContact OD1-N 3.21Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-A33 PolarHBondContact O-N 3.29Å; A33-L36 PolarHBondContact O-N 3.12Å; A33-L37 WeakPolarHBondContact O-CB 3.41Å; A33-L37 WeakPolarHBondContact O-CD1 3.17Å; A33-L37 WeakPolarHBondContact O-CG 3.43Å; A33-L37 PolarHBondContact O-N 3.43Å |
| 34 | V | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.5 | -50.2 | 175.4 | 171.6 | 0 | 0 | 0 | 0 | 111.2 | L22 A25 N30 E31 L36 L37 L38 C66 A69 L70 | L22-V34 HydrophobicContact CD1-CB 4.39Å; L22-V34 HydrophobicContact CD1-CG1 4.05Å; L22-V34 HydrophobicContact CD1-CG2 4.33Å; A25-V34 HydrophobicContact CB-CG2 3.68Å; N30-V34 WeakPolarHBondContact O-CG2 3.38Å; N30-V34 PolarHBondContact O-N 3.42Å; E31-V34 PolarHBondContact O-N 2.91Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 2.77Å; V34-L37 PolarHBondContact O-N 2.83Å; V34-L38 HydrophobicContact CG1-CD1 3.86Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 VanDerWaalsContact O-CG 3.3Å; V34-L38 WeakPolarHBondContact O-CG 3.18Å; V34-L38 PolarHBondContact O-N 3.3Å; V34-C66 HydrophobicContact CG2-CB 4.06Å; V34-A69 HydrophobicContact CG1-CB 4.14Å; V34-L70 HydrophobicContact CG1-CD2 4.1Å; V34-L70 HydrophobicContact CG1-CG 3.98Å |
| 35 | G | 87.4 | Confident | 88.2 | Confident | 23 Ų | 23 | 61.3 Ų | 61.3 | 24% | 0.237 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.4 | -33.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E31 R39 | E31-G35 PolarHBondContact O-N 2.93Å; G35-R39 WeakPolarHBondContact O-CB 3.45Å; G35-R39 WeakPolarHBondContact O-CG 3.42Å; G35-R39 PolarHBondContact O-N 3.31Å; G35-R39 VanDerWaalsContact O-N 3.15Å; G35-R39 PolarHBondContact O-NE 3.47Å |
| 36 | L | 88.2 | Confident | 88 | Confident | 19 Ų | 19 | 61.6 Ų | 61.6 | 10% | 0.099 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -67.5 | -47.7 | 173.6 | 179.3 | 66.1 | 0 | 0 | 0 | 112.1 | M1 D2 R32 A33 V34 L38 R39 R40 | M1-L36 HydrophobicContact CB-CD2 4.22Å; M1-L36 HydrophobicContact CG-CD2 4.09Å; M1-L36 HydrophobicContact SD-CD2 4.13Å; D2-L36 HydrophobicContact CB-CD2 4.48Å; D2-L36 VanDerWaalsContact CG-CD2 3.42Å; D2-L36 WeakPolarHBondContact OD1-CD1 3.5Å; D2-L36 WeakPolarHBondContact OD1-CD2 3.24Å; D2-L36 VanDerWaalsContact OD2-CD2 3.3Å; D2-L36 WeakPolarHBondContact OD2-CD2 3.36Å; R32-L36 VanDerWaalsContact O-CB 3.28Å; R32-L36 WeakPolarHBondContact O-CB 3.42Å; R32-L36 PolarHBondContact O-N 3.13Å; A33-L36 PolarHBondContact O-N 3.12Å; V34-L36 VanDerWaalsContact C-N 3.31Å; V34-L36 PolarHBondContact O-N 2.77Å; L36-L38 PolarHBondContact O-N 2.97Å; L36-R39 PolarHBondContact O-N 3.48Å; L36-R40 HydrophobicContact CD1-CG 4.4Å; L36-R40 WeakPolarHBondContact O-CG 3.19Å; L36-R40 PolarHBondContact O-N 2.91Å; L36-R40 VanDerWaalsContact O-N 3.14Å |
| 37 | L | 88.4 | Confident | 87.9 | Confident | 4 Ų | 4 | 66.6 Ų | 66.6 | 2% | 0.021 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 179.6 | -72.1 | 168.3 | 0 | 0 | 0 | 111.2 | M1 I5 V11 P21 L22 A25 A33 V34 R40 G41 A42 | M1-L37 HydrophobicContact SD-CD1 4.24Å; M1-L37 HydrophobicContact SD-CD2 4.01Å; M1-L37 HydrophobicContact SD-CG 3.94Å; I5-L37 HydrophobicContact CD1-CD2 4.09Å; V11-L37 HydrophobicContact CB-CD2 4.5Å; V11-L37 HydrophobicContact CG1-CD2 4.4Å; P21-L37 HydrophobicContact CB-CD1 4.05Å; P21-L37 HydrophobicContact CB-CD2 4.24Å; L22-L37 HydrophobicContact CB-CD1 4.48Å; L22-L37 HydrophobicContact CD1-CB 4.09Å; L22-L37 HydrophobicContact CD1-CD1 4.24Å; A25-L37 HydrophobicContact CB-CD1 4.08Å; A33-L37 WeakPolarHBondContact O-CB 3.41Å; A33-L37 WeakPolarHBondContact O-CD1 3.17Å; A33-L37 WeakPolarHBondContact O-CG 3.43Å; A33-L37 PolarHBondContact O-N 3.43Å; V34-L37 PolarHBondContact O-N 2.83Å; L37-R40 CarbonylContact O-C 3.54Å; L37-R40 PolarHBondContact O-N 3.44Å; L37-G41 PolarHBondContact O-N 2.91Å; L37-A42 VanDerWaalsContact C-CB 3.49Å; L37-A42 HydrophobicContact CB-CB 3.88Å; L37-A42 WeakPolarHBondContact O-CB 3.34Å; L37-A42 PolarHBondContact O-N 3.31Å |
| 38 | L | 87.7 | Confident | 87.9 | Confident | 30 Ų | 30 | 65 Ų | 65 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -42.8 | 176.3 | -69.1 | 172.8 | 0 | 0 | 0 | 112.2 | L22 V34 L36 R40 G41 P44 A69 L70 | L22-L38 HydrophobicContact CD1-CG 4.45Å; L22-L38 HydrophobicContact CD2-CD2 4.15Å; V34-L38 HydrophobicContact CG1-CD1 3.86Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 VanDerWaalsContact O-CG 3.3Å; V34-L38 WeakPolarHBondContact O-CG 3.18Å; V34-L38 PolarHBondContact O-N 3.3Å; L36-L38 PolarHBondContact O-N 2.97Å; L38-R40 PolarHBondContact O-N 2.68Å; L38-G41 PolarHBondContact O-N 3.16Å; L38-G41 VanDerWaalsContact O-N 3.14Å; L38-P44 HydrophobicContact CD2-CB 4.17Å; L38-A69 HydrophobicContact CD1-CB 4.46Å; L38-L70 HydrophobicContact CD1-CD2 4.24Å; L38-L70 HydrophobicContact CD2-CD2 4.25Å |
| 39 | R | 87.3 | Confident | 87.8 | Confident | 200 Ų | 200 | 66.9 Ų | 66.9 | 76% | 0.755 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.3 | -27.8 | 176.3 | -78.2 | -173.6 | -65.8 | -155.2 | 3.5 | 113.6 | G35 L36 G41 | G35-R39 WeakPolarHBondContact O-CB 3.45Å; G35-R39 WeakPolarHBondContact O-CG 3.42Å; G35-R39 PolarHBondContact O-N 3.31Å; G35-R39 VanDerWaalsContact O-N 3.15Å; G35-R39 PolarHBondContact O-NE 3.47Å; L36-R39 PolarHBondContact O-N 3.48Å; R39-G41 VanDerWaalsContact C-N 3.33Å |
| 40 | R | 86.7 | Confident | 87.7 | Confident | 105 Ų | 105 | 65.8 Ų | 65.8 | 40% | 0.396 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | 16.3 | 178.1 | -61.1 | -70.3 | -171 | 139.5 | 7.3 | 112.7 | D2 I5 E6 V11 L36 L37 L38 | D2-R40 IonicContact OD1-NH2 3.96Å; I5-R40 HydrophobicContact CD1-CG 4.49Å; I5-R40 HydrophobicContact CG2-CB 4.24Å; I5-R40 HydrophobicContact CG2-CG 4.2Å; E6-R40 IonicContact OE1-CZ 3.52Å; E6-R40 IonicContact OE1-NH1 3.21Å; E6-R40 IonicContact OE1-NH2 3.76Å; E6-R40 PolarHBondContact OE1-NH2 3.4Å; V11-R40 HydrophobicContact CG1-CB 4.22Å; L36-R40 HydrophobicContact CD1-CG 4.4Å; L36-R40 WeakPolarHBondContact O-CG 3.19Å; L36-R40 PolarHBondContact O-N 2.91Å; L36-R40 VanDerWaalsContact O-N 3.14Å; L37-R40 CarbonylContact O-C 3.54Å; L37-R40 PolarHBondContact O-N 3.44Å; L38-R40 PolarHBondContact O-N 2.68Å |
| 41 | G | 83.5 | Confident | 87.5 | Confident | 52 Ų | 52 | 68.7 Ų | 68.7 | 54% | 0.536 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 21.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | L37 L38 R39 | L37-G41 PolarHBondContact O-N 2.91Å; L38-G41 PolarHBondContact O-N 3.16Å; L38-G41 VanDerWaalsContact O-N 3.14Å; R39-G41 VanDerWaalsContact C-N 3.33Å |
| 42 | A | 86.1 | Confident | 87.5 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | trans | -66.1 | 136.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V11 N12 L22 L37 P44 | V11-A42 HydrophobicContact CB-CB 4.47Å; N12-A42 WeakPolarHBondContact OD1-CA 3.36Å; L22-A42 HydrophobicContact CD2-CB 4.26Å; L37-A42 VanDerWaalsContact C-CB 3.49Å; L37-A42 HydrophobicContact CB-CB 3.88Å; L37-A42 WeakPolarHBondContact O-CB 3.34Å; L37-A42 PolarHBondContact O-N 3.31Å; A42-P44 WeakPolarHBondContact O-CD 3.37Å | ||
| 43 | E | 85.6 | Confident | 87.7 | Confident | 115 Ų | 115 | 56 Ų | 56 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | trans | -82.7 | 116.1 | -176.1 | -75.1 | 174.8 | -160.9 | 0 | 0 | 111.7 | N12 N45 T46 | N12-E43 PolarHBondContact OD1-N 2.72Å; E43-N45 VanDerWaalsContact C-N 3.3Å; E43-N45 PolarHBondContact O-N 3.34Å; E43-T46 HydrophobicContact CB-CG2 3.57Å; E43-T46 WeakPolarHBondContact O-CG2 3.45Å; E43-T46 PolarHBondContact O-N 2.91Å; E43-T46 PolarHBondContact O-OG1 2.76Å | ||
| 44 | P | 83.3 | Confident | 87.8 | Confident | 23 Ų | 23 | 55.4 Ų | 55.4 | 15% | 0.149 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -15.6 | -174.6 | 31.3 | -36.3 | 0 | 0 | 0 | 113.8 | L38 A42 P54 L70 Q73 L74 | L38-P44 HydrophobicContact CD2-CB 4.17Å; A42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-P54 WeakPolarHBondContact O-CD 3.32Å; P44-L70 HydrophobicContact CB-CD2 4.34Å; P44-Q73 HydrophobicContact CG-CB 4.42Å; P44-L74 HydrophobicContact CB-CD2 3.78Å; P44-L74 HydrophobicContact CB-CG 4.17Å; P44-L74 HydrophobicContact CG-CD2 4.21Å |
| 45 | N | 85.3 | Confident | 87.9 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 31% | 0.31 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 9.4 | 179.7 | -69.1 | -25.9 | 0 | 0 | 0 | 113.6 | E43 R47 L74 M79 | E43-N45 VanDerWaalsContact C-N 3.3Å; E43-N45 PolarHBondContact O-N 3.34Å; N45-R47 PolarHBondContact O-N 3.4Å; N45-L74 WeakPolarHBondContact OD1-CD2 3.34Å; N45-M79 HydrophobicContact CB-CE 4.18Å; N45-M79 HydrophobicContact CB-SD 4.39Å; N45-M79 WeakPolarHBondContact OD1-CE 3.26Å |
| 46 | T | 86.6 | Confident | 88.1 | Confident | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.074 | 25% | 0.25 | C | S | . | . | trans | -59.4 | 138 | 179.3 | 43.4 | 0 | 0 | 0 | 0 | 111 | T20 H23 E43 T53 P54 | T20-T46 HydrophobicContact CG2-CG2 4.24Å; H23-T46 PolarHBondContact CE1-O 3.15Å; H23-T46 VanDerWaalsContact CE1-O 3.26Å; H23-T46 PolarHBondContact NE2-O 3.03Å; E43-T46 HydrophobicContact CB-CG2 3.57Å; E43-T46 WeakPolarHBondContact O-CG2 3.45Å; E43-T46 PolarHBondContact O-N 2.91Å; E43-T46 PolarHBondContact O-OG1 2.76Å; T46-T53 WeakPolarHBondContact O-CA 2.85Å; T46-P54 WeakPolarHBondContact O-CD 3.38Å | ||
| 47 | R | 89.4 | Confident | 88.2 | Confident | 106 Ų | 106 | 54.4 Ų | 54.4 | 40% | 0.4 | 25% | 0.249 | S | C | . | . | trans | -108.2 | 135.7 | -179.6 | -74.8 | -177.3 | 171.1 | 122 | -1.5 | 111.5 | K14 N45 Q52 T53 | K14-R47 PolarHBondContact NZ-O 3.08Å; N45-R47 PolarHBondContact O-N 3.4Å; R47-Q52 WeakPolarHBondContact CA-O 3.06Å; R47-T53 HydrophobicContact CG-CG2 4.3Å | ||
| 48 | D | 90.3 | Very high | 88.4 | Confident | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | trans | -82 | -174.8 | 168.7 | 80 | -6.4 | 0 | 0 | 0 | 112.1 | L19 F50 W51 Q52 | L19-D48 HydrophobicContact CD2-CB 3.85Å; L19-D48 HydrophobicContact CG-CB 4.47Å; D48-F50 PolarHBondContact O-N 3Å; D48-F50 VanDerWaalsContact OD1-C 3.27Å; D48-F50 VanDerWaalsContact OD1-CA 3.31Å; D48-F50 WeakPolarHBondContact OD1-CA 3.25Å; D48-F50 PolarHBondContact OD1-N 3.11Å; D48-W51 PolarHBondContact O-N 3.05Å; D48-W51 PolarHBondContact OD1-N 3.02Å; D48-Q52 PolarHBondContact N-O 3.4Å; D48-Q52 WeakPolarHBondContact OD1-CB 3.18Å; D48-Q52 PolarHBondContact OD1-N 3.48Å | ||
| 49 | K | 89.3 | Confident | 88.6 | Confident | 116 Ų | 116 | 52.8 Ų | 52.8 | 50% | 0.504 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.6 | 178.3 | -169.8 | 174.6 | -177.3 | 178.1 | 0 | 114 | I17 | I17-K49 HydrophobicContact CG2-CB 4.11Å; I17-K49 WeakPolarHBondContact O-CB 3.37Å; I17-K49 PolarHBondContact O-N 3.49Å; I17-K49 VanDerWaalsContact O-N 3.09Å |
| 50 | F | 87.3 | Confident | 88.7 | Confident | 111 Ų | 111 | 44.7 Ų | 44.7 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 8.6 | 176.1 | -56.2 | -72.5 | 0 | 0 | 0 | 112.9 | I17 D48 Q52 R82 | I17-F50 HydrophobicContact CG2-CE2 4.39Å; D48-F50 PolarHBondContact O-N 3Å; D48-F50 VanDerWaalsContact OD1-C 3.27Å; D48-F50 VanDerWaalsContact OD1-CA 3.31Å; D48-F50 WeakPolarHBondContact OD1-CA 3.25Å; D48-F50 PolarHBondContact OD1-N 3.11Å; F50-Q52 HydrophobicContact CB-CG 4.1Å; F50-Q52 PolarHBondContact O-N 2.97Å; F50-R82 WeakPolarHBondContact O-CB 3.46Å; F50-R82 PolarHBondContact O-N 2.94Å |
| 51 | W | 88.8 | Confident | 88.8 | Confident | 138 Ų | 138 | 42.4 Ų | 42.4 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | trans | 61 | 18.4 | -174.5 | -61 | 13.9 | 0 | 0 | 0 | 113.7 | D48 R82 | D48-W51 PolarHBondContact O-N 3.05Å; D48-W51 PolarHBondContact OD1-N 3.02Å; W51-R82 HydrophobicContact CB-CB 4.29Å; W51-R82 HydrophobicContact CG-CB 4.29Å | ||
| 52 | Q | 90.8 | Very high | 89.1 | Confident | 39 Ų | 39 | 46.9 Ų | 46.9 | 18% | 0.182 | 21% | 0.213 | C | C | . | . | trans | -73.6 | 145.5 | 171.8 | -64.2 | -174.9 | -18.1 | 0 | 0 | 109.2 | H23 R47 D48 F50 H56 V57 D81 H90 | H23-Q52 PolarHBondContact NE2-O 2.58Å; R47-Q52 WeakPolarHBondContact CA-O 3.06Å; D48-Q52 PolarHBondContact N-O 3.4Å; D48-Q52 WeakPolarHBondContact OD1-CB 3.18Å; D48-Q52 PolarHBondContact OD1-N 3.48Å; F50-Q52 HydrophobicContact CB-CG 4.1Å; F50-Q52 PolarHBondContact O-N 2.97Å; Q52-H56 HydrophobicContact CB-CB 4.01Å; Q52-H56 HydrophobicContact CG-CB 4.34Å; Q52-V57 HydrophobicContact CB-CG2 4.5Å; Q52-D81 HydrophobicContact CG-CB 3.94Å; Q52-H90 PolarHBondContact NE2-CE1 2.99Å | ||
| 53 | T | 91.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | trans | -103.2 | 165 | 173.7 | 69.2 | 0 | 0 | 0 | 0 | 109.5 | T46 R47 L55 H56 V57 M79 | T46-T53 WeakPolarHBondContact O-CA 2.85Å; R47-T53 HydrophobicContact CG-CG2 4.3Å; T53-L55 PolarHBondContact O-N 3.18Å; T53-L55 PolarHBondContact OG1-N 2.85Å; T53-H56 PolarHBondContact N-ND1 3.14Å; T53-H56 VanDerWaalsContact N-ND1 3.11Å; T53-H56 WeakPolarHBondContact O-CB 3.41Å; T53-H56 PolarHBondContact O-N 3.43Å; T53-H56 PolarHBondContact OG1-ND1 3.34Å; T53-V57 PolarHBondContact O-N 2.87Å; T53-V57 VanDerWaalsContact O-N 3.14Å; T53-M79 HydrophobicContact CG2-CE 3.71Å; T53-M79 HydrophobicContact CG2-SD 4.24Å | ||
| 54 | P | 91 | Very high | 89.6 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -53.9 | -28.7 | 174.3 | -26.8 | 35 | 0 | 0 | 0 | 113.1 | L22 H23 A26 P44 T46 A58 L70 | L22-P54 HydrophobicContact CB-CG 4.3Å; L22-P54 HydrophobicContact CD2-CB 4.32Å; L22-P54 HydrophobicContact CD2-CG 3.93Å; L22-P54 HydrophobicContact CG-CB 4.03Å; L22-P54 HydrophobicContact CG-CG 3.95Å; H23-P54 WeakPolarHBondContact NE2-CD 3.48Å; A26-P54 HydrophobicContact CB-CB 4.36Å; A26-P54 WeakPolarHBondContact CB-O 3.4Å; P44-P54 WeakPolarHBondContact O-CD 3.32Å; T46-P54 WeakPolarHBondContact O-CD 3.38Å; P54-A58 VanDerWaalsContact O-CB 3.28Å; P54-A58 WeakPolarHBondContact O-CB 3.33Å; P54-A58 PolarHBondContact O-N 3.09Å; P54-L70 HydrophobicContact CB-CD1 4.04Å; P54-L70 HydrophobicContact CB-CD2 4.25Å |
| 55 | L | 91.8 | Very high | 89.9 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.7 | -41.5 | 174 | -173.9 | 66.4 | 0 | 0 | 0 | 112.7 | T53 V57 A58 A59 A67 L71 L74 L77 A87 L103 | T53-L55 PolarHBondContact O-N 3.18Å; T53-L55 PolarHBondContact OG1-N 2.85Å; L55-V57 VanDerWaalsContact C-N 3.31Å; L55-V57 PolarHBondContact O-N 2.85Å; L55-A58 PolarHBondContact O-N 3.13Å; L55-A59 VanDerWaalsContact O-CB 3.28Å; L55-A59 WeakPolarHBondContact O-CB 3.5Å; L55-A59 PolarHBondContact O-N 3.11Å; L55-A67 HydrophobicContact CD1-CB 3.82Å; L55-L71 HydrophobicContact CD1-CD1 4.48Å; L55-L71 HydrophobicContact CD1-CD2 4.1Å; L55-L71 HydrophobicContact CD1-CG 4.07Å; L55-L71 HydrophobicContact CD2-CD2 3.8Å; L55-L74 HydrophobicContact CB-CD1 4.09Å; L55-L74 HydrophobicContact CD1-CD1 4.36Å; L55-L74 HydrophobicContact CD2-CD1 3.81Å; L55-L74 HydrophobicContact CG-CD1 4.29Å; L55-L77 HydrophobicContact CD2-CG 4.45Å; L55-A87 HydrophobicContact CD2-CB 3.85Å; L55-A87 HydrophobicContact CG-CB 3.8Å; L55-L103 HydrophobicContact CD1-CD2 4.38Å; L55-L103 HydrophobicContact CD2-CD2 4.35Å |
| 56 | H | 92.1 | Very high | 90.1 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.8 | -45.8 | 174.4 | -68.2 | 94.8 | 0 | 0 | 0 | 110.7 | Q52 T53 A59 A60 M79 R85 A87 H90 | Q52-H56 HydrophobicContact CB-CB 4.01Å; Q52-H56 HydrophobicContact CG-CB 4.34Å; T53-H56 PolarHBondContact N-ND1 3.14Å; T53-H56 VanDerWaalsContact N-ND1 3.11Å; T53-H56 WeakPolarHBondContact O-CB 3.41Å; T53-H56 PolarHBondContact O-N 3.43Å; T53-H56 PolarHBondContact OG1-ND1 3.34Å; H56-A59 PolarHBondContact O-N 2.83Å; H56-A60 WeakPolarHBondContact O-CB 3.38Å; H56-A60 PolarHBondContact O-N 3.18Å; H56-M79 PolarHBondContact CE1-O 3.31Å; H56-M79 PolarHBondContact NE2-O 2.87Å; H56-R85 PolarHBondContact NE2-O 2.95Å; H56-A87 PolarHBondContact CD2-N 3.1Å; H56-A87 PolarHBondContact NE2-N 3.28Å; H56-H90 AromaticContact CD2-CD2 3.69Å |
| 57 | V | 90.1 | Very high | 90.2 | Very high | 14 Ų | 14 | 47 Ų | 47 | 9% | 0.085 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -41.9 | 177.6 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | A27 Q52 T53 L55 A59 A60 N61 | A27-V57 HydrophobicContact CB-CG1 3.67Å; Q52-V57 HydrophobicContact CB-CG2 4.5Å; T53-V57 PolarHBondContact O-N 2.87Å; T53-V57 VanDerWaalsContact O-N 3.14Å; L55-V57 VanDerWaalsContact C-N 3.31Å; L55-V57 PolarHBondContact O-N 2.85Å; V57-A59 PolarHBondContact O-N 3.2Å; V57-A60 PolarHBondContact O-N 3.41Å; V57-N61 WeakPolarHBondContact O-CB 3.36Å; V57-N61 PolarHBondContact O-N 3.02Å; V57-N61 VanDerWaalsContact O-N 3.12Å; V57-N61 PolarHBondContact O-ND2 3.14Å |
| 58 | A | 91.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.5 | -43.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A26 P54 L55 N61 R62 A63 A67 L70 M99 | A26-A58 HydrophobicContact CB-CB 4.14Å; P54-A58 VanDerWaalsContact O-CB 3.28Å; P54-A58 WeakPolarHBondContact O-CB 3.33Å; P54-A58 PolarHBondContact O-N 3.09Å; L55-A58 PolarHBondContact O-N 3.13Å; A58-N61 CarbonylContact O-C 3.47Å; A58-N61 PolarHBondContact O-N 3.36Å; A58-R62 PolarHBondContact O-N 3.46Å; A58-A63 HydrophobicContact CB-CB 4.02Å; A58-A63 PolarHBondContact O-N 3.21Å; A58-A67 HydrophobicContact CB-CB 4.2Å; A58-L70 HydrophobicContact CB-CD1 4.33Å; A58-M99 WeakPolarHBondContact O-CE 3.48Å |
| 59 | A | 91.8 | Very high | 90.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.5 | -43.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L55 H56 V57 N61 A87 H90 A91 F96 M99 | L55-A59 VanDerWaalsContact O-CB 3.28Å; L55-A59 WeakPolarHBondContact O-CB 3.5Å; L55-A59 PolarHBondContact O-N 3.11Å; H56-A59 PolarHBondContact O-N 2.83Å; V57-A59 PolarHBondContact O-N 3.2Å; A59-N61 PolarHBondContact O-N 3.45Å; A59-A87 HydrophobicContact CB-CB 4.09Å; A59-A87 VanDerWaalsContact CB-O 3.29Å; A59-A87 WeakPolarHBondContact CB-O 3.23Å; A59-H90 HydrophobicContact CB-CB 4.23Å; A59-A91 HydrophobicContact CB-CB 4.25Å; A59-F96 WeakPolarHBondContact O-CD2 3.47Å; A59-M99 HydrophobicContact CB-CG 4.29Å |
| 60 | A | 90 | Very high | 90 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 25% | 0.248 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69 | -19.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | H56 V57 H90 S94 F96 | H56-A60 WeakPolarHBondContact O-CB 3.38Å; H56-A60 PolarHBondContact O-N 3.18Å; V57-A60 PolarHBondContact O-N 3.41Å; A60-H90 HydrophobicContact CB-CB 4.25Å; A60-S94 PolarHBondContact O-OG 3.48Å; A60-F96 WeakPolarHBondContact O-CE2 3.3Å |
| 61 | N | 89.1 | Confident | 90 | Very high | 58 Ų | 58 | 38 Ų | 38 | 31% | 0.31 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 15 | -175.1 | -74.6 | -76.3 | 0 | 0 | 0 | 114.7 | R29 V57 A58 A59 A63 | R29-N61 PolarHBondContact NE-O 3.06Å; R29-N61 PolarHBondContact NH2-O 3.14Å; V57-N61 WeakPolarHBondContact O-CB 3.36Å; V57-N61 PolarHBondContact O-N 3.02Å; V57-N61 VanDerWaalsContact O-N 3.12Å; V57-N61 PolarHBondContact O-ND2 3.14Å; A58-N61 CarbonylContact O-C 3.47Å; A58-N61 PolarHBondContact O-N 3.36Å; A59-N61 PolarHBondContact O-N 3.45Å; N61-A63 PolarHBondContact O-N 3.06Å |
| 62 | R | 89.8 | Confident | 89.7 | Confident | 146 Ų | 146 | 36 Ų | 36 | 55% | 0.551 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59 | 24.8 | -178.8 | -156.2 | -176 | 172.9 | -176.2 | -1.3 | 113.9 | A58 T64 F96 | A58-R62 PolarHBondContact O-N 3.46Å; R62-T64 VanDerWaalsContact C-N 3.25Å; R62-T64 PolarHBondContact O-N 3.09Å; R62-F96 HydrophobicContact CB-CD1 3.86Å; R62-F96 HydrophobicContact CB-CD2 3.65Å; R62-F96 HydrophobicContact CB-CE1 3.84Å; R62-F96 HydrophobicContact CB-CE2 3.6Å; R62-F96 HydrophobicContact CB-CG 3.79Å; R62-F96 HydrophobicContact CB-CZ 3.72Å; R62-F96 HydrophobicContact CG-CB 4.28Å; R62-F96 HydrophobicContact CG-CD1 3.68Å; R62-F96 HydrophobicContact CG-CD2 4.17Å; R62-F96 HydrophobicContact CG-CE1 4.03Å; R62-F96 HydrophobicContact CG-CE2 4.46Å; R62-F96 HydrophobicContact CG-CG 3.77Å; R62-F96 HydrophobicContact CG-CZ 4.42Å; R62-F96 VanDerWaalsContact N-CD2 3.35Å |
| 63 | A | 91.9 | Very high | 89.2 | Confident | 4 Ų | 4 | 40.2 Ų | 40.2 | 3% | 0.033 | 20% | 0.198 | C | C | . | . | trans | -84.3 | 61 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A26 R29 A58 N61 R65 C66 A67 M99 | A26-A63 WeakPolarHBondContact O-CB 3.38Å; R29-A63 HydrophobicContact CB-CB 4.17Å; R29-A63 HydrophobicContact CG-CB 3.92Å; A58-A63 HydrophobicContact CB-CB 4.02Å; A58-A63 PolarHBondContact O-N 3.21Å; N61-A63 PolarHBondContact O-N 3.06Å; A63-R65 PolarHBondContact O-N 3.48Å; A63-C66 HydrophobicContact CB-CB 3.85Å; A63-C66 WeakPolarHBondContact O-CB 3.39Å; A63-C66 PolarHBondContact O-N 3.4Å; A63-C66 VanDerWaalsContact O-N 3.12Å; A63-A67 PolarHBondContact O-N 3.43Å; A63-M99 VanDerWaalsContact C-CE 3.41Å | ||
| 64 | T | 90.4 | Very high | 88.6 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 27% | 0.27 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -58.3 | -44.1 | -170.3 | 52.6 | 0 | 0 | 0 | 0 | 113.5 | R62 A67 E68 E98 M99 L102 | R62-T64 VanDerWaalsContact C-N 3.25Å; R62-T64 PolarHBondContact O-N 3.09Å; T64-A67 PolarHBondContact O-N 3.49Å; T64-E68 PolarHBondContact O-N 3.24Å; T64-E98 HydrophobicContact CG2-CB 4.07Å; T64-M99 VanDerWaalsContact CA-CE 3.46Å; T64-M99 HydrophobicContact CG2-CB 4.03Å; T64-M99 HydrophobicContact CG2-CE 3.91Å; T64-M99 HydrophobicContact CG2-SD 4.46Å; T64-L102 WeakPolarHBondContact O-CD2 3.34Å |
| 65 | R | 90.3 | Very high | 87.6 | Confident | 167 Ų | 167 | 46.4 Ų | 46.4 | 63% | 0.63 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -68.1 | -34.5 | 177.3 | -59.9 | -169 | -178.3 | 178.3 | -3.1 | 113.2 | E31 A63 E68 A69 | E31-R65 HydrophobicContact CB-CB 4.27Å; E31-R65 HydrophobicContact CG-CB 4.05Å; E31-R65 WeakPolarHBondContact OE2-CB 3.45Å; E31-R65 WeakPolarHBondContact OE2-CD 3.41Å; E31-R65 IonicContact OE2-NH1 2.77Å; A63-R65 PolarHBondContact O-N 3.48Å; R65-E68 PolarHBondContact O-N 3.04Å; R65-A69 PolarHBondContact O-N 3.46Å; R65-A69 VanDerWaalsContact O-N 3.07Å |
| 66 | C | 88.5 | Confident | 87 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.5 | -42.6 | 173.1 | -64 | 0 | 0 | 0 | 0 | 110.9 | N30 E31 V34 A63 E68 A69 L70 | N30-C66 VanDerWaalsContact C-SG 3.55Å; E31-C66 PolarHBondContact N-SG 3.19Å; E31-C66 VanDerWaalsContact N-SG 3.38Å; V34-C66 HydrophobicContact CG2-CB 4.06Å; A63-C66 HydrophobicContact CB-CB 3.85Å; A63-C66 WeakPolarHBondContact O-CB 3.39Å; A63-C66 PolarHBondContact O-N 3.4Å; A63-C66 VanDerWaalsContact O-N 3.12Å; C66-E68 VanDerWaalsContact C-N 3.34Å; C66-A69 PolarHBondContact O-N 3.03Å; C66-L70 WeakPolarHBondContact O-CB 3.41Å; C66-L70 WeakPolarHBondContact O-CD1 3.37Å; C66-L70 WeakPolarHBondContact O-CG 3.2Å; C66-L70 PolarHBondContact O-N 2.83Å |
| 67 | A | 89.6 | Confident | 86.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.1 | -41.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L55 A58 A63 T64 A69 L70 L71 M99 L102 | L55-A67 HydrophobicContact CD1-CB 3.82Å; A58-A67 HydrophobicContact CB-CB 4.2Å; A63-A67 PolarHBondContact O-N 3.43Å; T64-A67 PolarHBondContact O-N 3.49Å; A67-A69 PolarHBondContact O-N 3.43Å; A67-L70 PolarHBondContact O-N 3.13Å; A67-L71 VanDerWaalsContact O-CB 3.29Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 WeakPolarHBondContact O-CD1 3.33Å; A67-L71 WeakPolarHBondContact O-CG 3.27Å; A67-L71 PolarHBondContact O-N 3.42Å; A67-M99 HydrophobicContact CB-CE 3.7Å; A67-M99 HydrophobicContact CB-SD 3.62Å; A67-L102 HydrophobicContact CB-CD2 4.12Å |
| 68 | E | 89.4 | Confident | 86.2 | Confident | 104 Ų | 104 | 53.1 Ų | 53.1 | 49% | 0.486 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 175.2 | -173 | 170.7 | -161.9 | 0 | 0 | 111.9 | T64 R65 C66 L70 L71 T72 L102 | T64-E68 PolarHBondContact O-N 3.24Å; R65-E68 PolarHBondContact O-N 3.04Å; C66-E68 VanDerWaalsContact C-N 3.34Å; E68-L70 PolarHBondContact O-N 3.34Å; E68-L71 PolarHBondContact O-N 3.47Å; E68-T72 PolarHBondContact O-N 2.94Å; E68-L102 HydrophobicContact CB-CD2 4.11Å |
| 69 | A | 87.6 | Confident | 86 | Confident | 24 Ų | 24 | 54 Ų | 54 | 20% | 0.198 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.1 | -43.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V34 L38 R65 C66 A67 T72 | V34-A69 HydrophobicContact CG1-CB 4.14Å; L38-A69 HydrophobicContact CD1-CB 4.46Å; R65-A69 PolarHBondContact O-N 3.46Å; R65-A69 VanDerWaalsContact O-N 3.07Å; C66-A69 PolarHBondContact O-N 3.03Å; A67-A69 PolarHBondContact O-N 3.43Å; A69-T72 PolarHBondContact O-OG1 2.97Å |
| 70 | L | 87.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -43.7 | 177.1 | -71.4 | 166 | 0 | 0 | 0 | 111.8 | L22 V34 L38 P44 P54 A58 C66 A67 E68 T72 Q73 L74 | L22-L70 HydrophobicContact CD1-CD2 4.16Å; L22-L70 HydrophobicContact CD2-CD2 3.98Å; L22-L70 HydrophobicContact CG-CD2 4.18Å; V34-L70 HydrophobicContact CG1-CD2 4.1Å; V34-L70 HydrophobicContact CG1-CG 3.98Å; L38-L70 HydrophobicContact CD1-CD2 4.24Å; L38-L70 HydrophobicContact CD2-CD2 4.25Å; P44-L70 HydrophobicContact CB-CD2 4.34Å; P54-L70 HydrophobicContact CB-CD1 4.04Å; P54-L70 HydrophobicContact CB-CD2 4.25Å; A58-L70 HydrophobicContact CB-CD1 4.33Å; C66-L70 WeakPolarHBondContact O-CB 3.41Å; C66-L70 WeakPolarHBondContact O-CD1 3.37Å; C66-L70 WeakPolarHBondContact O-CG 3.2Å; C66-L70 PolarHBondContact O-N 2.83Å; A67-L70 PolarHBondContact O-N 3.13Å; E68-L70 PolarHBondContact O-N 3.34Å; L70-T72 PolarHBondContact O-N 3.11Å; L70-Q73 PolarHBondContact O-N 2.98Å; L70-L74 HydrophobicContact CB-CD1 4.05Å; L70-L74 WeakPolarHBondContact O-CG 3.23Å; L70-L74 PolarHBondContact O-N 3.24Å |
| 71 | L | 85.8 | Confident | 85.9 | Confident | 22 Ų | 22 | 54.7 Ų | 54.7 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.4 | -22.5 | -176.3 | -73.2 | 169.1 | 0 | 0 | 0 | 113.9 | L55 A67 E68 Q73 L74 L77 L102 L103 K106 | L55-L71 HydrophobicContact CD1-CD1 4.48Å; L55-L71 HydrophobicContact CD1-CD2 4.1Å; L55-L71 HydrophobicContact CD1-CG 4.07Å; L55-L71 HydrophobicContact CD2-CD2 3.8Å; A67-L71 VanDerWaalsContact O-CB 3.29Å; A67-L71 WeakPolarHBondContact O-CB 3.36Å; A67-L71 WeakPolarHBondContact O-CD1 3.33Å; A67-L71 WeakPolarHBondContact O-CG 3.27Å; A67-L71 PolarHBondContact O-N 3.42Å; E68-L71 PolarHBondContact O-N 3.47Å; L71-Q73 PolarHBondContact O-N 3.39Å; L71-L74 HydrophobicContact CD2-CD1 3.94Å; L71-L74 HydrophobicContact CG-CD1 4.47Å; L71-L77 HydrophobicContact CD2-CB 4.18Å; L71-L77 HydrophobicContact CD2-CD1 3.61Å; L71-L77 HydrophobicContact CD2-CG 4.12Å; L71-L102 HydrophobicContact CD1-CD2 4.3Å; L71-L102 HydrophobicContact CD1-CG 4.24Å; L71-L103 HydrophobicContact CD1-CD2 4.12Å; L71-K106 HydrophobicContact CD1-CB 4.48Å; L71-K106 HydrophobicContact CD1-CG 4.16Å |
| 72 | T | 83.3 | Confident | 86 | Confident | 95 Ų | 95 | 58.9 Ų | 58.9 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -23.2 | 173.5 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | E68 A69 L70 | E68-T72 PolarHBondContact O-N 2.94Å; A69-T72 PolarHBondContact O-OG1 2.97Å; L70-T72 PolarHBondContact O-N 3.11Å |
| 73 | Q | 79.7 | Confident | 85.8 | Confident | 127 Ų | 127 | 54.7 Ų | 54.7 | 59% | 0.593 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | -1.8 | -176 | -59.4 | -60.8 | -49.5 | 0 | 0 | 112.9 | P44 L70 L71 | P44-Q73 HydrophobicContact CG-CB 4.42Å; L70-Q73 PolarHBondContact O-N 2.98Å; L71-Q73 PolarHBondContact O-N 3.39Å |
| 74 | L | 78.3 | Confident | 85.6 | Confident | 24 Ų | 24 | 55.1 Ų | 55.1 | 13% | 0.126 | 29% | 0.291 | C | S | . | . | trans | -89 | 127.1 | -177.4 | -78.9 | 167.1 | 0 | 0 | 0 | 111.4 | P44 N45 L55 L70 L71 M79 | P44-L74 HydrophobicContact CB-CD2 3.78Å; P44-L74 HydrophobicContact CB-CG 4.17Å; P44-L74 HydrophobicContact CG-CD2 4.21Å; N45-L74 WeakPolarHBondContact OD1-CD2 3.34Å; L55-L74 HydrophobicContact CB-CD1 4.09Å; L55-L74 HydrophobicContact CD1-CD1 4.36Å; L55-L74 HydrophobicContact CD2-CD1 3.81Å; L55-L74 HydrophobicContact CG-CD1 4.29Å; L70-L74 HydrophobicContact CB-CD1 4.05Å; L70-L74 WeakPolarHBondContact O-CG 3.23Å; L70-L74 PolarHBondContact O-N 3.24Å; L71-L74 HydrophobicContact CD2-CD1 3.94Å; L71-L74 HydrophobicContact CG-CD1 4.47Å; L74-M79 HydrophobicContact CD2-CE 4.27Å | ||
| 75 | S | 69.8 | Low | 85.7 | Confident | 108 Ų | 108 | 55.5 Ų | 55.5 | 76% | 0.755 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -81.3 | -26.5 | 175.5 | 54 | 0 | 0 | 0 | 0 | 113.8 | ||
| 76 | N | 79.4 | Confident | 85.8 | Confident | 79 Ų | 79 | 47.9 Ų | 47.9 | 42% | 0.422 | 26% | 0.259 | S | S | . | . | trans | -140.2 | 110.8 | 177.8 | -174.3 | -3.8 | 0 | 0 | 0 | 111.2 | N78 M79 | N76-N78 PolarHBondContact OD1-N 3.48Å; N76-M79 HydrophobicContact CB-CG 4.28Å; N76-M79 WeakPolarHBondContact O-CE 3.34Å | ||
| 77 | L | 83.1 | Confident | 85.9 | Confident | 24 Ų | 24 | 47.9 Ų | 47.9 | 13% | 0.126 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -22 | 178.5 | 161.1 | 160.6 | 0 | 0 | 0 | 112.9 | L55 L71 M79 L103 K106 A108 | L55-L77 HydrophobicContact CD2-CG 4.45Å; L71-L77 HydrophobicContact CD2-CB 4.18Å; L71-L77 HydrophobicContact CD2-CD1 3.61Å; L71-L77 HydrophobicContact CD2-CG 4.12Å; L77-M79 PolarHBondContact O-N 3.31Å; L77-L103 HydrophobicContact CD1-CD2 3.92Å; L77-L103 HydrophobicContact CG-CD2 4.44Å; L77-K106 HydrophobicContact CD1-CB 4.04Å; L77-A108 HydrophobicContact CD1-CB 4.29Å; L77-A108 HydrophobicContact CD2-CB 3.51Å |
| 78 | N | 84 | Confident | 86.1 | Confident | 57 Ų | 57 | 48 Ų | 48 | 31% | 0.305 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 22.9 | -172.4 | -65.8 | -54.4 | 0 | 0 | 0 | 113.3 | N76 A80 N109 | N76-N78 PolarHBondContact OD1-N 3.48Å; N78-A80 PolarHBondContact O-N 3.03Å; N78-N109 WeakPolarHBondContact OD1-CB 3.43Å; N78-N109 PolarHBondContact OD1-N 2.86Å |
| 79 | M | 86.4 | Confident | 86.3 | Confident | 20 Ų | 20 | 43 Ų | 43 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | trans | -60.1 | 139.3 | 172.6 | -69.5 | -172.6 | -73.9 | 0 | 0 | 110.3 | N45 T53 H56 L74 N76 L77 | N45-M79 HydrophobicContact CB-CE 4.18Å; N45-M79 HydrophobicContact CB-SD 4.39Å; N45-M79 WeakPolarHBondContact OD1-CE 3.26Å; T53-M79 HydrophobicContact CG2-CE 3.71Å; T53-M79 HydrophobicContact CG2-SD 4.24Å; H56-M79 PolarHBondContact CE1-O 3.31Å; H56-M79 PolarHBondContact NE2-O 2.87Å; L74-M79 HydrophobicContact CD2-CE 4.27Å; N76-M79 HydrophobicContact CB-CG 4.28Å; N76-M79 WeakPolarHBondContact O-CE 3.34Å; L77-M79 PolarHBondContact O-N 3.31Å | ||
| 80 | A | 89.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 42.3 Ų | 42.3 | 31% | 0.306 | 23% | 0.229 | S | C | . | . | trans | -98.8 | 147 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | N78 R85 | N78-A80 PolarHBondContact O-N 3.03Å; A80-R85 WeakPolarHBondContact CA-O 3.37Å | ||
| 81 | D | 90.5 | Very high | 86.7 | Confident | 7 Ų | 7 | 42.3 Ų | 42.3 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -76.1 | -177.6 | 167.4 | 73.9 | 12.1 | 0 | 0 | 0 | 112.1 | Q52 T83 G84 R85 H90 | Q52-D81 HydrophobicContact CG-CB 3.94Å; D81-T83 VanDerWaalsContact CG-OG1 3.28Å; D81-T83 PolarHBondContact O-N 3.43Å; D81-T83 VanDerWaalsContact OD1-CA 3.28Å; D81-T83 WeakPolarHBondContact OD1-CA 3.32Å; D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.28Å; D81-T83 PolarHBondContact OD1-OG1 3.2Å; D81-T83 PolarHBondContact OD2-OG1 3.02Å; D81-G84 PolarHBondContact O-N 3.11Å; D81-G84 PolarHBondContact OD1-N 3.22Å; D81-G84 VanDerWaalsContact OD1-N 3.09Å; D81-R85 PolarHBondContact N-O 2.94Å; D81-R85 PolarHBondContact OD1-N 3.35Å; D81-R85 IonicContact OD2-NE 2.75Å; D81-R85 IonicContact OD2-NH2 3.96Å; D81-H90 IonicContact OD2-CE1 3.35Å; D81-H90 IonicContact OD2-NE2 2.75Å; D81-H90 PolarHBondContact OD2-NE2 2.92Å | ||
| 82 | R | 89.7 | Confident | 87 | Confident | 145 Ų | 145 | 41.3 Ų | 41.3 | 55% | 0.547 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -21.6 | -179.5 | -175.9 | 175.1 | -179.1 | -175.2 | -1.5 | 113 | F50 W51 K115 | F50-R82 WeakPolarHBondContact O-CB 3.46Å; F50-R82 PolarHBondContact O-N 2.94Å; W51-R82 HydrophobicContact CB-CB 4.29Å; W51-R82 HydrophobicContact CG-CB 4.29Å; R82-K115 WeakPolarHBondContact O-CE 3.19Å; R82-K115 PolarHBondContact O-NZ 3.33Å |
| 83 | T | 86.5 | Confident | 87.3 | Confident | 58 Ų | 58 | 40.1 Ų | 40.1 | 36% | 0.356 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -0.5 | 177.5 | 60.6 | 0 | 0 | 0 | 0 | 113.4 | D81 R85 K115 | D81-T83 VanDerWaalsContact CG-OG1 3.28Å; D81-T83 PolarHBondContact O-N 3.43Å; D81-T83 VanDerWaalsContact OD1-CA 3.28Å; D81-T83 WeakPolarHBondContact OD1-CA 3.32Å; D81-T83 WeakPolarHBondContact OD1-CB 3.3Å; D81-T83 PolarHBondContact OD1-N 3.28Å; D81-T83 PolarHBondContact OD1-OG1 3.2Å; D81-T83 PolarHBondContact OD2-OG1 3.02Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact OG1-NE 3.46Å; T83-R85 PolarHBondContact OG1-NH2 2.92Å; T83-K115 WeakPolarHBondContact O-CB 3.28Å; T83-K115 WeakPolarHBondContact O-CG 3.5Å; T83-K115 PolarHBondContact O-N 3.03Å |
| 84 | G | 88.3 | Confident | 87.7 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 13% | 0.134 | 20% | 0.198 | C | C | . | . | S | Bend | trans | 86.2 | 0.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D81 | D81-G84 PolarHBondContact O-N 3.11Å; D81-G84 PolarHBondContact OD1-N 3.22Å; D81-G84 VanDerWaalsContact OD1-N 3.09Å |
| 85 | R | 91.3 | Very high | 88.2 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 20% | 0.196 | 20% | 0.198 | C | C | . | . | trans | -80.9 | 134.5 | -176.9 | -71.5 | -177 | -68.7 | -179.7 | -6.3 | 110.7 | H56 A80 D81 T83 H89 D114 | H56-R85 PolarHBondContact NE2-O 2.95Å; A80-R85 WeakPolarHBondContact CA-O 3.37Å; D81-R85 PolarHBondContact N-O 2.94Å; D81-R85 PolarHBondContact OD1-N 3.35Å; D81-R85 IonicContact OD2-NE 2.75Å; D81-R85 IonicContact OD2-NH2 3.96Å; T83-R85 VanDerWaalsContact C-N 3.34Å; T83-R85 PolarHBondContact OG1-NE 3.46Å; T83-R85 PolarHBondContact OG1-NH2 2.92Å; R85-H89 HydrophobicContact CB-CB 3.81Å; R85-H89 HydrophobicContact CG-CB 4.02Å; R85-D114 HydrophobicContact CG-CB 3.9Å | ||
| 86 | T | 93 | Very high | 89.3 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 4% | 0.043 | 17% | 0.172 | C | C | . | . | trans | -89 | 169.2 | 172.9 | 66 | 0 | 0 | 0 | 0 | 111.7 | L88 H89 H90 A112 | T86-L88 PolarHBondContact O-N 3.35Å; T86-L88 VanDerWaalsContact O-N 3.12Å; T86-L88 PolarHBondContact OG1-N 2.98Å; T86-H89 PolarHBondContact N-ND1 3.3Å; T86-H89 VanDerWaalsContact N-ND1 3.17Å; T86-H89 WeakPolarHBondContact O-CB 3.46Å; T86-H89 PolarHBondContact O-N 3.42Å; T86-H89 PolarHBondContact OG1-ND1 2.87Å; T86-H90 PolarHBondContact O-CD2 3.27Å; T86-H90 PolarHBondContact O-N 2.8Å; T86-A112 HydrophobicContact CG2-CB 3.78Å | ||
| 87 | A | 91.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -54.1 | -32.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L55 H56 A59 H90 A91 L103 | L55-A87 HydrophobicContact CD2-CB 3.85Å; L55-A87 HydrophobicContact CG-CB 3.8Å; H56-A87 PolarHBondContact CD2-N 3.1Å; H56-A87 PolarHBondContact NE2-N 3.28Å; A59-A87 HydrophobicContact CB-CB 4.09Å; A59-A87 VanDerWaalsContact CB-O 3.29Å; A59-A87 WeakPolarHBondContact CB-O 3.23Å; A87-H90 PolarHBondContact O-N 3.38Å; A87-A91 WeakPolarHBondContact O-CB 3.43Å; A87-A91 PolarHBondContact O-N 3.37Å; A87-L103 HydrophobicContact CB-CD1 4.27Å; A87-L103 HydrophobicContact CB-CD2 4.42Å |
| 88 | L | 93.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -66.6 | -36.8 | 175 | -175 | 61.7 | 0 | 0 | 0 | 112.3 | T86 A91 A92 V100 L103 L104 A108 L110 P120 | T86-L88 PolarHBondContact O-N 3.35Å; T86-L88 VanDerWaalsContact O-N 3.12Å; T86-L88 PolarHBondContact OG1-N 2.98Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A92 WeakPolarHBondContact O-CB 3.32Å; L88-A92 PolarHBondContact O-N 2.81Å; L88-V100 HydrophobicContact CD1-CG1 4.01Å; L88-V100 HydrophobicContact CD1-CG2 4.45Å; L88-L103 HydrophobicContact CD1-CB 4.38Å; L88-L103 HydrophobicContact CD1-CD1 4.49Å; L88-L104 HydrophobicContact CD1-CD2 4.12Å; L88-L104 HydrophobicContact CD1-CG 4.33Å; L88-L104 HydrophobicContact CD2-CD2 3.87Å; L88-A108 HydrophobicContact CB-CB 4.41Å; L88-A108 HydrophobicContact CD2-CB 4.09Å; L88-L110 HydrophobicContact CD2-CD2 4.49Å; L88-P120 HydrophobicContact CB-CG 4.36Å; L88-P120 HydrophobicContact CD2-CB 4.42Å; L88-P120 HydrophobicContact CD2-CG 3.92Å; L88-P120 HydrophobicContact CG-CB 4.08Å; L88-P120 HydrophobicContact CG-CG 3.87Å |
| 89 | H | 92.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.7 | -45 | 173.9 | -70.7 | 83.9 | 0 | 0 | 0 | 111.5 | R85 T86 A92 Q93 A112 R118 P120 | R85-H89 HydrophobicContact CB-CB 3.81Å; R85-H89 HydrophobicContact CG-CB 4.02Å; T86-H89 PolarHBondContact N-ND1 3.3Å; T86-H89 VanDerWaalsContact N-ND1 3.17Å; T86-H89 WeakPolarHBondContact O-CB 3.46Å; T86-H89 PolarHBondContact O-N 3.42Å; T86-H89 PolarHBondContact OG1-ND1 2.87Å; H89-A92 PolarHBondContact O-N 3.44Å; H89-Q93 VanDerWaalsContact O-CB 3.23Å; H89-Q93 WeakPolarHBondContact O-CB 3.48Å; H89-Q93 PolarHBondContact O-N 3.09Å; H89-A112 PolarHBondContact CE1-O 2.94Å; H89-A112 PolarHBondContact NE2-O 3.08Å; H89-R118 PolarHBondContact NE2-O 2.92Å; H89-P120 WeakPolarHBondContact NE2-CD 3.42Å |
| 90 | H | 90.8 | Very high | 91 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 5% | 0.046 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.8 | -41.8 | 177.8 | -75.1 | -87.1 | 0 | 0 | 0 | 111.7 | Q52 H56 A59 A60 D81 T86 A87 Q93 S94 | Q52-H90 PolarHBondContact NE2-CE1 2.99Å; H56-H90 AromaticContact CD2-CD2 3.69Å; A59-H90 HydrophobicContact CB-CB 4.23Å; A60-H90 HydrophobicContact CB-CB 4.25Å; D81-H90 IonicContact OD2-CE1 3.35Å; D81-H90 IonicContact OD2-NE2 2.75Å; D81-H90 PolarHBondContact OD2-NE2 2.92Å; T86-H90 PolarHBondContact O-CD2 3.27Å; T86-H90 PolarHBondContact O-N 2.8Å; A87-H90 PolarHBondContact O-N 3.38Å; H90-Q93 PolarHBondContact O-N 3.42Å; H90-S94 PolarHBondContact O-N 3.35Å; H90-S94 PolarHBondContact O-OG 3.47Å |
| 91 | A | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.7 | -40 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A59 A87 L88 G95 F96 M99 V100 L103 | A59-A91 HydrophobicContact CB-CB 4.25Å; A87-A91 WeakPolarHBondContact O-CB 3.43Å; A87-A91 PolarHBondContact O-N 3.37Å; L88-A91 PolarHBondContact O-N 3.43Å; A91-G95 PolarHBondContact O-N 2.89Å; A91-G95 VanDerWaalsContact O-N 3.13Å; A91-F96 PolarHBondContact O-N 3.38Å; A91-F96 VanDerWaalsContact O-N 3.14Å; A91-M99 HydrophobicContact CB-CB 4.23Å; A91-M99 HydrophobicContact CB-CG 3.69Å; A91-V100 HydrophobicContact CB-CG2 3.73Å; A91-L103 HydrophobicContact CB-CD1 3.9Å |
| 92 | A | 92 | Very high | 91.1 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.3 | -38.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L88 H89 G95 P120 A124 H129 V132 | L88-A92 WeakPolarHBondContact O-CB 3.32Å; L88-A92 PolarHBondContact O-N 2.81Å; H89-A92 PolarHBondContact O-N 3.44Å; A92-G95 PolarHBondContact O-N 3.34Å; A92-P120 HydrophobicContact CB-CB 3.84Å; A92-P120 WeakPolarHBondContact CB-O 3.29Å; A92-A124 HydrophobicContact CB-CB 4.35Å; A92-H129 PolarHBondContact O-CD2 3.31Å; A92-H129 VanDerWaalsContact O-CD2 3.22Å; A92-V132 HydrophobicContact CB-CG1 4.11Å |
| 93 | Q | 89.9 | Confident | 91.2 | Very high | 71 Ų | 71 | 30 Ų | 30 | 33% | 0.332 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.1 | -42.2 | 175.3 | -169 | 179.6 | -6.9 | 0 | 0 | 111.5 | H89 H90 G95 C123 L127 H129 | H89-Q93 VanDerWaalsContact O-CB 3.23Å; H89-Q93 WeakPolarHBondContact O-CB 3.48Å; H89-Q93 PolarHBondContact O-N 3.09Å; H90-Q93 PolarHBondContact O-N 3.42Å; Q93-G95 VanDerWaalsContact C-N 3.32Å; Q93-G95 PolarHBondContact O-N 3.27Å; Q93-C123 HydrophobicContact CB-CB 4.39Å; Q93-L127 HydrophobicContact CB-CD1 4.21Å; Q93-L127 HydrophobicContact CG-CD1 3.36Å; Q93-L127 WeakPolarHBondContact O-CD1 3.5Å; Q93-H129 PolarHBondContact O-CD2 2.99Å; Q93-H129 PolarHBondContact O-NE2 3.21Å |
| 94 | S | 88.2 | Confident | 91.4 | Very high | 44 Ų | 44 | 28 Ų | 28 | 31% | 0.308 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -6.3 | 179.1 | -57.8 | 0 | 0 | 0 | 0 | 114.3 | A60 H90 F96 | A60-S94 PolarHBondContact O-OG 3.48Å; H90-S94 PolarHBondContact O-N 3.35Å; H90-S94 PolarHBondContact O-OG 3.47Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-F96 PolarHBondContact O-N 2.92Å |
| 95 | G | 89.8 | Confident | 91.5 | Very high | 12 Ų | 12 | 32 Ų | 32 | 12% | 0.124 | 16% | 0.159 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.1 | 17.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | A91 A92 Q93 Q97 H129 | A91-G95 PolarHBondContact O-N 2.89Å; A91-G95 VanDerWaalsContact O-N 3.13Å; A92-G95 PolarHBondContact O-N 3.34Å; Q93-G95 VanDerWaalsContact C-N 3.32Å; Q93-G95 PolarHBondContact O-N 3.27Å; G95-Q97 PolarHBondContact O-N 3.32Å; G95-H129 VanDerWaalsContact CA-CD2 3.47Å; G95-H129 WeakPolarHBondContact CA-CD2 3.33Å; G95-H129 WeakPolarHBondContact CA-ND1 3.41Å; G95-H129 PolarHBondContact N-CD2 3.46Å; G95-H129 PolarHBondContact N-NE2 3.49Å |
| 96 | F | 92.4 | Very high | 91.3 | Very high | 48 Ų | 48 | 35.1 Ų | 35.1 | 21% | 0.211 | 17% | 0.173 | C | C | . | . | trans | -83.2 | 87.4 | -174.7 | -60.7 | -37.8 | 0 | 0 | 0 | 112.2 | A59 A60 R62 A91 S94 E98 M99 V100 | A59-F96 WeakPolarHBondContact O-CD2 3.47Å; A60-F96 WeakPolarHBondContact O-CE2 3.3Å; R62-F96 HydrophobicContact CB-CD1 3.86Å; R62-F96 HydrophobicContact CB-CD2 3.65Å; R62-F96 HydrophobicContact CB-CE1 3.84Å; R62-F96 HydrophobicContact CB-CE2 3.6Å; R62-F96 HydrophobicContact CB-CG 3.79Å; R62-F96 HydrophobicContact CB-CZ 3.72Å; R62-F96 HydrophobicContact CG-CB 4.28Å; R62-F96 HydrophobicContact CG-CD1 3.68Å; R62-F96 HydrophobicContact CG-CD2 4.17Å; R62-F96 HydrophobicContact CG-CE1 4.03Å; R62-F96 HydrophobicContact CG-CE2 4.46Å; R62-F96 HydrophobicContact CG-CG 3.77Å; R62-F96 HydrophobicContact CG-CZ 4.42Å; R62-F96 VanDerWaalsContact N-CD2 3.35Å; A91-F96 PolarHBondContact O-N 3.38Å; A91-F96 VanDerWaalsContact O-N 3.14Å; S94-F96 VanDerWaalsContact C-N 3.34Å; S94-F96 PolarHBondContact O-N 2.92Å; F96-E98 PolarHBondContact O-N 3.35Å; F96-M99 HydrophobicContact CB-CB 3.86Å; F96-M99 WeakPolarHBondContact O-CA 3.33Å; F96-M99 WeakPolarHBondContact O-CB 3.18Å; F96-M99 PolarHBondContact O-N 3.08Å; F96-V100 PolarHBondContact O-N 2.96Å | ||
| 97 | Q | 92.6 | Very high | 91 | Very high | 85 Ų | 85 | 37.3 Ų | 37.3 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -50.2 | -49.7 | -177.1 | -59.6 | 167.9 | 41.4 | 0 | 0 | 113.7 | G95 M99 V100 K101 E131 V132 M135 | G95-Q97 PolarHBondContact O-N 3.32Å; Q97-M99 VanDerWaalsContact C-N 3.28Å; Q97-M99 PolarHBondContact O-N 3.02Å; Q97-V100 PolarHBondContact O-N 3.46Å; Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.36Å; Q97-E131 HydrophobicContact CG-CB 3.9Å; Q97-V132 HydrophobicContact CG-CG2 4.02Å; Q97-M135 HydrophobicContact CB-CE 4.35Å |
| 98 | E | 91.5 | Very high | 90.8 | Very high | 110 Ų | 110 | 37.7 Ų | 37.7 | 51% | 0.514 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.4 | -32.4 | 179.4 | -65.9 | -53.5 | 122.8 | 0 | 0 | 112.8 | T64 F96 L102 | T64-E98 HydrophobicContact CG2-CB 4.07Å; F96-E98 PolarHBondContact O-N 3.35Å; E98-L102 WeakPolarHBondContact O-CB 3.43Å; E98-L102 PolarHBondContact O-N 2.95Å |
| 99 | M | 91.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -71.5 | -44.9 | 175 | -177.9 | 64.1 | 74.6 | 0 | 0 | 111 | A58 A59 A63 T64 A67 A91 F96 Q97 K101 L102 L103 | A58-M99 WeakPolarHBondContact O-CE 3.48Å; A59-M99 HydrophobicContact CB-CG 4.29Å; A63-M99 VanDerWaalsContact C-CE 3.41Å; T64-M99 VanDerWaalsContact CA-CE 3.46Å; T64-M99 HydrophobicContact CG2-CB 4.03Å; T64-M99 HydrophobicContact CG2-CE 3.91Å; T64-M99 HydrophobicContact CG2-SD 4.46Å; A67-M99 HydrophobicContact CB-CE 3.7Å; A67-M99 HydrophobicContact CB-SD 3.62Å; A91-M99 HydrophobicContact CB-CB 4.23Å; A91-M99 HydrophobicContact CB-CG 3.69Å; F96-M99 HydrophobicContact CB-CB 3.86Å; F96-M99 WeakPolarHBondContact O-CA 3.33Å; F96-M99 WeakPolarHBondContact O-CB 3.18Å; F96-M99 PolarHBondContact O-N 3.08Å; Q97-M99 VanDerWaalsContact C-N 3.28Å; Q97-M99 PolarHBondContact O-N 3.02Å; M99-K101 VanDerWaalsContact C-N 3.32Å; M99-K101 PolarHBondContact O-N 3.17Å; M99-L102 PolarHBondContact O-N 2.74Å; M99-L102 HydrophobicContact SD-CD2 4.49Å; M99-L103 HydrophobicContact CG-CD1 4.04Å; M99-L103 HydrophobicContact CG-CG 4.49Å; M99-L103 WeakPolarHBondContact O-CB 3.33Å; M99-L103 VanDerWaalsContact O-CG 3.32Å; M99-L103 WeakPolarHBondContact O-CG 3.44Å; M99-L103 PolarHBondContact O-N 3.42Å; M99-L103 HydrophobicContact SD-CD1 4.38Å; M99-L103 HydrophobicContact SD-CG 4.37Å |
| 100 | V | 92.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58 | -47.4 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 109.8 | L88 A91 F96 Q97 L102 L103 L104 V132 M135 L136 | L88-V100 HydrophobicContact CD1-CG1 4.01Å; L88-V100 HydrophobicContact CD1-CG2 4.45Å; A91-V100 HydrophobicContact CB-CG2 3.73Å; F96-V100 PolarHBondContact O-N 2.96Å; Q97-V100 PolarHBondContact O-N 3.46Å; V100-L102 PolarHBondContact O-N 3.25Å; V100-L103 PolarHBondContact O-N 3.35Å; V100-L104 HydrophobicContact CG1-CD1 3.71Å; V100-L104 HydrophobicContact CG1-CG 4.19Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.4Å; V100-L104 PolarHBondContact O-N 3.13Å; V100-V132 HydrophobicContact CG1-CG1 4.36Å; V100-V132 HydrophobicContact CG2-CG1 4.05Å; V100-V132 HydrophobicContact CG2-CG2 4.31Å; V100-M135 HydrophobicContact CB-SD 4.37Å; V100-M135 HydrophobicContact CG1-SD 3.95Å; V100-L136 HydrophobicContact CG1-CD2 4.27Å |
| 101 | K | 92.9 | Very high | 90.3 | Very high | 88 Ų | 88 | 45.2 Ų | 45.2 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.8 | -46.1 | 177.4 | -169.3 | 177.6 | 179.1 | -178.7 | 0 | 112.4 | Q97 M99 N105 M135 | Q97-K101 WeakPolarHBondContact O-CB 3.41Å; Q97-K101 PolarHBondContact O-N 3.36Å; M99-K101 VanDerWaalsContact C-N 3.32Å; M99-K101 PolarHBondContact O-N 3.17Å; K101-N105 WeakPolarHBondContact O-CB 3.34Å; K101-N105 PolarHBondContact O-N 2.9Å; K101-N105 PolarHBondContact O-ND2 3.43Å; K101-N105 PolarHBondContact O-OD1 3.01Å; K101-M135 HydrophobicContact CB-CE 4.1Å; K101-M135 HydrophobicContact CB-SD 3.7Å; K101-M135 HydrophobicContact CG-SD 4.28Å |
| 102 | L | 91.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.147 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 177.2 | 179 | 67.2 | 0 | 0 | 0 | 111.4 | T64 A67 E68 L71 E98 M99 V100 L104 N105 K106 | T64-L102 WeakPolarHBondContact O-CD2 3.34Å; A67-L102 HydrophobicContact CB-CD2 4.12Å; E68-L102 HydrophobicContact CB-CD2 4.11Å; L71-L102 HydrophobicContact CD1-CD2 4.3Å; L71-L102 HydrophobicContact CD1-CG 4.24Å; E98-L102 WeakPolarHBondContact O-CB 3.43Å; E98-L102 PolarHBondContact O-N 2.95Å; M99-L102 PolarHBondContact O-N 2.74Å; M99-L102 HydrophobicContact SD-CD2 4.49Å; V100-L102 PolarHBondContact O-N 3.25Å; L102-L104 PolarHBondContact O-N 3.49Å; L102-N105 PolarHBondContact O-N 3.21Å; L102-K106 WeakPolarHBondContact O-CG 3.27Å; L102-K106 PolarHBondContact O-N 3.09Å; L102-K106 VanDerWaalsContact O-N 3.14Å |
| 103 | L | 90.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.2 | -43.7 | -179.9 | -70.7 | 171.8 | 0 | 0 | 0 | 111.6 | L55 L71 L77 A87 L88 A91 M99 V100 K106 G107 A108 | L55-L103 HydrophobicContact CD1-CD2 4.38Å; L55-L103 HydrophobicContact CD2-CD2 4.35Å; L71-L103 HydrophobicContact CD1-CD2 4.12Å; L77-L103 HydrophobicContact CD1-CD2 3.92Å; L77-L103 HydrophobicContact CG-CD2 4.44Å; A87-L103 HydrophobicContact CB-CD1 4.27Å; A87-L103 HydrophobicContact CB-CD2 4.42Å; L88-L103 HydrophobicContact CD1-CB 4.38Å; L88-L103 HydrophobicContact CD1-CD1 4.49Å; A91-L103 HydrophobicContact CB-CD1 3.9Å; M99-L103 HydrophobicContact CG-CD1 4.04Å; M99-L103 HydrophobicContact CG-CG 4.49Å; M99-L103 WeakPolarHBondContact O-CB 3.33Å; M99-L103 VanDerWaalsContact O-CG 3.32Å; M99-L103 WeakPolarHBondContact O-CG 3.44Å; M99-L103 PolarHBondContact O-N 3.42Å; M99-L103 HydrophobicContact SD-CD1 4.38Å; M99-L103 HydrophobicContact SD-CG 4.37Å; V100-L103 PolarHBondContact O-N 3.35Å; L103-K106 CarbonylContact O-C 3.48Å; L103-K106 PolarHBondContact O-N 2.92Å; L103-G107 PolarHBondContact O-N 2.86Å; L103-A108 HydrophobicContact CB-CB 3.97Å; L103-A108 WeakPolarHBondContact O-CB 3.33Å; L103-A108 PolarHBondContact O-N 3.06Å |
| 104 | L | 90.1 | Very high | 90.2 | Very high | 17 Ų | 17 | 47.4 Ų | 47.4 | 9% | 0.089 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -40.5 | 177.6 | -66.1 | 177.8 | 0 | 0 | 0 | 112.4 | L88 V100 L102 K106 G107 A108 L110 M135 L136 R139 | L88-L104 HydrophobicContact CD1-CD2 4.12Å; L88-L104 HydrophobicContact CD1-CG 4.33Å; L88-L104 HydrophobicContact CD2-CD2 3.87Å; V100-L104 HydrophobicContact CG1-CD1 3.71Å; V100-L104 HydrophobicContact CG1-CG 4.19Å; V100-L104 WeakPolarHBondContact O-CB 3.3Å; V100-L104 WeakPolarHBondContact O-CG 3.4Å; V100-L104 PolarHBondContact O-N 3.13Å; L102-L104 PolarHBondContact O-N 3.49Å; L104-K106 PolarHBondContact O-N 3.45Å; L104-G107 PolarHBondContact O-N 2.83Å; L104-G107 VanDerWaalsContact O-N 3.11Å; L104-A108 HydrophobicContact CD2-CB 4.36Å; L104-L110 HydrophobicContact CD1-CD2 4.28Å; L104-L110 HydrophobicContact CD2-CD2 3.28Å; L104-L110 HydrophobicContact CD2-CG 3.8Å; L104-L110 HydrophobicContact CG-CD2 4.42Å; L104-M135 HydrophobicContact CD1-CG 4.26Å; L104-M135 HydrophobicContact CD1-SD 4.42Å; L104-L136 HydrophobicContact CD1-CD2 4.09Å; L104-L136 HydrophobicContact CD2-CD2 4.42Å; L104-R139 HydrophobicContact CD1-CB 4.46Å; L104-R139 HydrophobicContact CD1-CG 4.07Å |
| 105 | N | 90.6 | Very high | 90.2 | Very high | 96 Ų | 96 | 52.1 Ų | 52.1 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.5 | -25.1 | 175.7 | -71.3 | -5.7 | 0 | 0 | 0 | 112.7 | K101 L102 R139 | K101-N105 WeakPolarHBondContact O-CB 3.34Å; K101-N105 PolarHBondContact O-N 2.9Å; K101-N105 PolarHBondContact O-ND2 3.43Å; K101-N105 PolarHBondContact O-OD1 3.01Å; L102-N105 PolarHBondContact O-N 3.21Å; N105-R139 PolarHBondContact OD1-NH1 3.25Å; N105-R139 PolarHBondContact OD1-NH2 2.98Å |
| 106 | K | 88.3 | Confident | 90.1 | Very high | 117 Ų | 117 | 55.3 Ų | 55.3 | 51% | 0.509 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 10.5 | 176.4 | -65.2 | -67.2 | -174.1 | 178.6 | 0 | 113.4 | L71 L77 L102 L103 L104 | L71-K106 HydrophobicContact CD1-CB 4.48Å; L71-K106 HydrophobicContact CD1-CG 4.16Å; L77-K106 HydrophobicContact CD1-CB 4.04Å; L102-K106 WeakPolarHBondContact O-CG 3.27Å; L102-K106 PolarHBondContact O-N 3.09Å; L102-K106 VanDerWaalsContact O-N 3.14Å; L103-K106 CarbonylContact O-C 3.48Å; L103-K106 PolarHBondContact O-N 2.92Å; L104-K106 PolarHBondContact O-N 3.45Å |
| 107 | G | 85.2 | Confident | 90 | Very high | 54 Ų | 54 | 57.3 Ų | 57.3 | 56% | 0.557 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.2 | 28.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | L103 L104 N109 | L103-G107 PolarHBondContact O-N 2.86Å; L104-G107 PolarHBondContact O-N 2.83Å; L104-G107 VanDerWaalsContact O-N 3.11Å; G107-N109 PolarHBondContact O-N 2.99Å |
| 108 | A | 88.9 | Confident | 89.9 | Confident | 9 Ų | 9 | 56.6 Ų | 56.6 | 7% | 0.074 | 29% | 0.29 | C | S | . | . | trans | -58.9 | 134.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | L77 L88 L103 L104 L110 | L77-A108 HydrophobicContact CD1-CB 4.29Å; L77-A108 HydrophobicContact CD2-CB 3.51Å; L88-A108 HydrophobicContact CB-CB 4.41Å; L88-A108 HydrophobicContact CD2-CB 4.09Å; L103-A108 HydrophobicContact CB-CB 3.97Å; L103-A108 WeakPolarHBondContact O-CB 3.33Å; L103-A108 PolarHBondContact O-N 3.06Å; L104-A108 HydrophobicContact CD2-CB 4.36Å; A108-L110 PolarHBondContact O-N 2.94Å; A108-L110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | N | 89.1 | Confident | 90 | Very high | 67 Ų | 67 | 52.6 Ų | 52.6 | 36% | 0.358 | 27% | 0.271 | S | S | . | . | trans | -71.5 | 111.6 | 179.5 | -175.4 | 8.6 | 0 | 0 | 0 | 110.1 | N78 G107 S111 A112 | N78-N109 WeakPolarHBondContact OD1-CB 3.43Å; N78-N109 PolarHBondContact OD1-N 2.86Å; G107-N109 PolarHBondContact O-N 2.99Å; N109-S111 VanDerWaalsContact C-N 3.3Å; N109-S111 PolarHBondContact O-N 2.83Å; N109-S111 PolarHBondContact OD1-N 3.36Å; N109-S111 PolarHBondContact OD1-OG 3.42Å; N109-S111 VanDerWaalsContact OD1-OG 3.06Å; N109-A112 HydrophobicContact CB-CB 4.26Å; N109-A112 WeakPolarHBondContact O-CB 3.38Å; N109-A112 PolarHBondContact O-N 3.12Å | ||
| 110 | L | 88.1 | Confident | 90.1 | Very high | 37 Ų | 37 | 52.6 Ų | 52.6 | 19% | 0.194 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -33.4 | 176.3 | -73.8 | 164.1 | 0 | 0 | 0 | 112.5 | L88 L104 A108 A112 L136 R139 A141 | L88-L110 HydrophobicContact CD2-CD2 4.49Å; L104-L110 HydrophobicContact CD1-CD2 4.28Å; L104-L110 HydrophobicContact CD2-CD2 3.28Å; L104-L110 HydrophobicContact CD2-CG 3.8Å; L104-L110 HydrophobicContact CG-CD2 4.42Å; A108-L110 PolarHBondContact O-N 2.94Å; A108-L110 VanDerWaalsContact O-N 3.16Å; L110-A112 VanDerWaalsContact C-N 3.3Å; L110-L136 HydrophobicContact CD2-CD2 3.46Å; L110-L136 VanDerWaalsContact CD2-CD2 3.46Å; L110-R139 HydrophobicContact CD1-CB 4.06Å; L110-R139 VanDerWaalsContact CD1-O 3.22Å; L110-R139 WeakPolarHBondContact CD1-O 3.42Å; L110-A141 HydrophobicContact CD2-CB 4.41Å |
| 111 | S | 88.7 | Confident | 90.1 | Very high | 67 Ų | 67 | 52.8 Ų | 52.8 | 47% | 0.469 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 17.6 | -179 | 78.4 | 0 | 0 | 0 | 0 | 112.6 | N109 I113 | N109-S111 VanDerWaalsContact C-N 3.3Å; N109-S111 PolarHBondContact O-N 2.83Å; N109-S111 PolarHBondContact OD1-N 3.36Å; N109-S111 PolarHBondContact OD1-OG 3.42Å; N109-S111 VanDerWaalsContact OD1-OG 3.06Å; S111-I113 PolarHBondContact O-N 3.12Å |
| 112 | A | 89.1 | Confident | 90.1 | Very high | 10 Ų | 10 | 49 Ų | 49 | 8% | 0.083 | 26% | 0.256 | C | S | . | . | trans | -60.6 | 138.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | T86 H89 N109 L110 Q119 P120 | T86-A112 HydrophobicContact CG2-CB 3.78Å; H89-A112 PolarHBondContact CE1-O 2.94Å; H89-A112 PolarHBondContact NE2-O 3.08Å; N109-A112 HydrophobicContact CB-CB 4.26Å; N109-A112 WeakPolarHBondContact O-CB 3.38Å; N109-A112 PolarHBondContact O-N 3.12Å; L110-A112 VanDerWaalsContact C-N 3.3Å; A112-Q119 WeakPolarHBondContact O-CA 3.42Å; A112-P120 WeakPolarHBondContact O-CD 3.24Å | ||
| 113 | I | 91.8 | Very high | 90.1 | Very high | 98 Ų | 98 | 48.1 Ų | 48.1 | 50% | 0.503 | 25% | 0.252 | S | S | . | . | trans | -119.2 | 139.5 | -177.3 | 54.9 | 171.7 | 0 | 0 | 0 | 110.6 | S111 E117 Q119 | S111-I113 PolarHBondContact O-N 3.12Å; I113-E117 HydrophobicContact CD1-CG 4.48Å; I113-Q119 HydrophobicContact CG2-CG 4.08Å | ||
| 114 | D | 89.9 | Confident | 90.2 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | trans | -82.2 | -177.2 | 169.3 | 79.8 | -0.6 | 0 | 0 | 0 | 112 | R85 K116 E117 R118 | R85-D114 HydrophobicContact CG-CB 3.9Å; D114-K116 PolarHBondContact O-N 2.95Å; D114-K116 VanDerWaalsContact O-N 3.16Å; D114-K116 VanDerWaalsContact OD1-C 3.28Å; D114-K116 VanDerWaalsContact OD1-CA 3.28Å; D114-K116 WeakPolarHBondContact OD1-CA 3.42Å; D114-K116 WeakPolarHBondContact OD1-CB 3.4Å; D114-K116 PolarHBondContact OD1-N 3.38Å; D114-E117 WeakPolarHBondContact O-CA 3.44Å; D114-E117 PolarHBondContact O-N 3.06Å; D114-E117 PolarHBondContact OD1-N 2.73Å; D114-E117 VanDerWaalsContact OD1-N 3.14Å; D114-R118 PolarHBondContact N-O 2.87Å; D114-R118 WeakPolarHBondContact OD1-CB 3.32Å; D114-R118 PolarHBondContact OD1-N 2.83Å; D114-R118 IonicContact OD1-NE 3.88Å; D114-R118 IonicContact OD2-CZ 3.81Å; D114-R118 IonicContact OD2-NE 2.79Å; D114-R118 PolarHBondContact OD2-NE 3.18Å; D114-R118 IonicContact OD2-NH2 3.6Å; D114-R118 PolarHBondContact OD2-NH2 3.06Å | ||
| 115 | K | 89.8 | Confident | 90.4 | Very high | 143 Ų | 143 | 47.3 Ų | 47.3 | 62% | 0.622 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | 177.7 | -78.2 | -179 | 172.5 | 177.5 | 0 | 114.8 | R82 T83 E117 | R82-K115 WeakPolarHBondContact O-CE 3.19Å; R82-K115 PolarHBondContact O-NZ 3.33Å; T83-K115 WeakPolarHBondContact O-CB 3.28Å; T83-K115 WeakPolarHBondContact O-CG 3.5Å; T83-K115 PolarHBondContact O-N 3.03Å; K115-E117 VanDerWaalsContact C-N 3.31Å |
| 116 | K | 86.9 | Confident | 90.5 | Very high | 80 Ų | 80 | 46.6 Ų | 46.6 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12.8 | 173.4 | -60.9 | -172.9 | -178.7 | -175.7 | 0 | 111.1 | D114 R118 K148 | D114-K116 PolarHBondContact O-N 2.95Å; D114-K116 VanDerWaalsContact O-N 3.16Å; D114-K116 VanDerWaalsContact OD1-C 3.28Å; D114-K116 VanDerWaalsContact OD1-CA 3.28Å; D114-K116 WeakPolarHBondContact OD1-CA 3.42Å; D114-K116 WeakPolarHBondContact OD1-CB 3.4Å; D114-K116 PolarHBondContact OD1-N 3.38Å; K116-R118 HydrophobicContact CB-CG 4.06Å; K116-R118 PolarHBondContact O-N 3.36Å; K116-K148 WeakPolarHBondContact O-CB 3.31Å; K116-K148 PolarHBondContact O-N 2.94Å |
| 117 | E | 90.8 | Very high | 90.6 | Very high | 90 Ų | 90 | 44.3 Ų | 44.3 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | trans | 59.3 | 20.5 | -175.7 | -57.6 | 170.5 | -156.1 | 0 | 0 | 113.9 | I113 D114 K115 K148 | I113-E117 HydrophobicContact CD1-CG 4.48Å; D114-E117 WeakPolarHBondContact O-CA 3.44Å; D114-E117 PolarHBondContact O-N 3.06Å; D114-E117 PolarHBondContact OD1-N 2.73Å; D114-E117 VanDerWaalsContact OD1-N 3.14Å; K115-E117 VanDerWaalsContact C-N 3.31Å; E117-K148 HydrophobicContact CB-CB 4.08Å; E117-K148 HydrophobicContact CG-CB 4.13Å | ||
| 118 | R | 90.7 | Very high | 91 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 26% | 0.264 | 22% | 0.219 | S | C | . | . | trans | -79.5 | 131.3 | 178.2 | -61.1 | 177.9 | -61 | 179.6 | 3.1 | 109.6 | H89 D114 K116 H122 D147 | H89-R118 PolarHBondContact NE2-O 2.92Å; D114-R118 PolarHBondContact N-O 2.87Å; D114-R118 WeakPolarHBondContact OD1-CB 3.32Å; D114-R118 PolarHBondContact OD1-N 2.83Å; D114-R118 IonicContact OD1-NE 3.88Å; D114-R118 IonicContact OD2-CZ 3.81Å; D114-R118 IonicContact OD2-NE 2.79Å; D114-R118 PolarHBondContact OD2-NE 3.18Å; D114-R118 IonicContact OD2-NH2 3.6Å; D114-R118 PolarHBondContact OD2-NH2 3.06Å; K116-R118 HydrophobicContact CB-CG 4.06Å; K116-R118 PolarHBondContact O-N 3.36Å; R118-H122 HydrophobicContact CB-CB 4.32Å; R118-D147 HydrophobicContact CG-CB 3.74Å | ||
| 119 | Q | 93.6 | Very high | 91.3 | Very high | 25 Ų | 25 | 45.2 Ų | 45.2 | 12% | 0.117 | 23% | 0.227 | C | C | . | . | trans | -83.2 | 160.6 | 167.4 | -62.6 | -173.3 | 7.3 | 0 | 0 | 112.5 | A112 I113 I121 H122 C145 | A112-Q119 WeakPolarHBondContact O-CA 3.42Å; I113-Q119 HydrophobicContact CG2-CG 4.08Å; Q119-I121 HydrophobicContact CB-CG2 4.02Å; Q119-I121 PolarHBondContact O-N 2.84Å; Q119-I121 VanDerWaalsContact O-N 3.09Å; Q119-H122 PolarHBondContact N-ND1 3.18Å; Q119-H122 WeakPolarHBondContact O-CB 3.38Å; Q119-H122 PolarHBondContact O-N 3.15Å; Q119-H122 PolarHBondContact O-ND1 3.13Å; Q119-C145 HydrophobicContact CG-CB 4.47Å | ||
| 120 | P | 92.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -54.9 | -31.3 | 179.4 | -26.3 | 34.4 | 0 | 0 | 0 | 114.4 | L88 H89 A92 A112 H122 C123 A124 L136 | L88-P120 HydrophobicContact CB-CG 4.36Å; L88-P120 HydrophobicContact CD2-CB 4.42Å; L88-P120 HydrophobicContact CD2-CG 3.92Å; L88-P120 HydrophobicContact CG-CB 4.08Å; L88-P120 HydrophobicContact CG-CG 3.87Å; H89-P120 WeakPolarHBondContact NE2-CD 3.42Å; A92-P120 HydrophobicContact CB-CB 3.84Å; A92-P120 WeakPolarHBondContact CB-O 3.29Å; A112-P120 WeakPolarHBondContact O-CD 3.24Å; P120-H122 VanDerWaalsContact C-N 3.31Å; P120-H122 PolarHBondContact O-N 3.18Å; P120-C123 PolarHBondContact O-N 2.87Å; P120-A124 PolarHBondContact O-N 3.12Å; P120-A124 VanDerWaalsContact O-N 3.08Å; P120-L136 HydrophobicContact CB-CD1 4.41Å |
| 121 | I | 94.1 | Very high | 91.8 | Very high | 3 Ų | 3 | 45.8 Ų | 45.8 | 2% | 0.015 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -64.2 | -32.4 | 177 | -170.5 | 169.6 | 0 | 0 | 0 | 112.6 | Q119 A124 A125 V133 L136 I137 A141 C145 P153 | Q119-I121 HydrophobicContact CB-CG2 4.02Å; Q119-I121 PolarHBondContact O-N 2.84Å; Q119-I121 VanDerWaalsContact O-N 3.09Å; I121-A124 PolarHBondContact O-N 3.06Å; I121-A125 WeakPolarHBondContact O-CB 3.38Å; I121-A125 PolarHBondContact O-N 2.97Å; I121-V133 HydrophobicContact CD1-CG1 4.4Å; I121-V133 HydrophobicContact CG1-CG1 4.39Å; I121-L136 HydrophobicContact CB-CD1 4.01Å; I121-L136 HydrophobicContact CG1-CD1 4.49Å; I121-I137 HydrophobicContact CD1-CD1 4.01Å; I121-I137 HydrophobicContact CD1-CG1 3.7Å; I121-A141 HydrophobicContact CD1-CB 4.39Å; I121-C145 VanDerWaalsContact CG2-SG 3.53Å; I121-P153 HydrophobicContact CD1-CB 4.49Å; I121-P153 HydrophobicContact CD1-CG 4.24Å; I121-P153 HydrophobicContact CG1-CB 4.19Å; I121-P153 HydrophobicContact CG1-CG 4.09Å; I121-P153 HydrophobicContact CG2-CG 3.84Å |
| 122 | H | 92.6 | Very high | 92.1 | Very high | 8 Ų | 8 | 42.6 Ų | 42.6 | 4% | 0.037 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.3 | -43.8 | 175 | -61.7 | 96 | 0 | 0 | 0 | 111.1 | R118 Q119 P120 A125 Y126 C145 Y151 | R118-H122 HydrophobicContact CB-CB 4.32Å; Q119-H122 PolarHBondContact N-ND1 3.18Å; Q119-H122 WeakPolarHBondContact O-CB 3.38Å; Q119-H122 PolarHBondContact O-N 3.15Å; Q119-H122 PolarHBondContact O-ND1 3.13Å; P120-H122 VanDerWaalsContact C-N 3.31Å; P120-H122 PolarHBondContact O-N 3.18Å; H122-A125 PolarHBondContact O-N 3.41Å; H122-Y126 VanDerWaalsContact O-CB 3.26Å; H122-Y126 WeakPolarHBondContact O-CB 3.41Å; H122-Y126 PolarHBondContact O-N 3.27Å; H122-C145 PolarHBondContact CE1-SG 3.27Å; H122-C145 PolarHBondContact NE2-O 3.44Å; H122-Y151 PolarHBondContact NE2-O 3.2Å |
| 123 | C | 90.3 | Very high | 92.4 | Very high | 11 Ų | 11 | 42.1 Ų | 42.1 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 177.4 | -62.4 | 0 | 0 | 0 | 0 | 111.6 | Q93 P120 L127 | Q93-C123 HydrophobicContact CB-CB 4.39Å; P120-C123 PolarHBondContact O-N 2.87Å; C123-L127 WeakPolarHBondContact O-CB 3.21Å; C123-L127 PolarHBondContact O-N 3.18Å; C123-L127 VanDerWaalsContact O-N 3.08Å |
| 124 | A | 93.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -41 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A92 P120 I121 G128 H129 V132 V133 | A92-A124 HydrophobicContact CB-CB 4.35Å; P120-A124 PolarHBondContact O-N 3.12Å; P120-A124 VanDerWaalsContact O-N 3.08Å; I121-A124 PolarHBondContact O-N 3.06Å; A124-G128 PolarHBondContact O-N 2.88Å; A124-G128 VanDerWaalsContact O-N 3.12Å; A124-H129 HydrophobicContact CB-CB 4.32Å; A124-H129 PolarHBondContact O-N 2.86Å; A124-V132 HydrophobicContact CB-CB 4.2Å; A124-V132 HydrophobicContact CB-CG1 3.77Å; A124-V133 HydrophobicContact CB-CG2 3.72Å |
| 125 | A | 93.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67 | -42.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | I121 H122 V133 P153 A156 A157 H162 I165 | I121-A125 WeakPolarHBondContact O-CB 3.38Å; I121-A125 PolarHBondContact O-N 2.97Å; H122-A125 PolarHBondContact O-N 3.41Å; A125-V133 HydrophobicContact CB-CG2 4.33Å; A125-P153 HydrophobicContact CB-CB 4.07Å; A125-P153 WeakPolarHBondContact CB-O 3.47Å; A125-A156 HydrophobicContact CB-CB 4.32Å; A125-A157 HydrophobicContact CB-CB 4.36Å; A125-H162 PolarHBondContact O-CD2 3.25Å; A125-I165 HydrophobicContact CB-CG2 4.24Å |
| 126 | Y | 92.5 | Very high | 92.8 | Very high | 80 Ų | 80 | 35 Ų | 35 | 31% | 0.314 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -65 | -37.3 | 178.1 | -176.4 | -101.6 | 0 | 0 | 0 | 113 | H122 A159 S160 H162 L1019 | H122-Y126 VanDerWaalsContact O-CB 3.26Å; H122-Y126 WeakPolarHBondContact O-CB 3.41Å; H122-Y126 PolarHBondContact O-N 3.27Å; Y126-A159 HydrophobicContact CE2-CB 4.38Å; Y126-S160 WeakPolarHBondContact O-CB 3.31Å; Y126-S160 PolarHBondContact O-OG 2.99Å; Y126-H162 PolarHBondContact O-CD2 3.5Å; Y126-H162 PolarHBondContact O-NE2 3.3Å; Y126-L1019 HydrophobicContact CE1-CD2 4.12Å; Y126-L1019 HydrophobicContact CE2-CD2 3.97Å; Y126-L1019 VanDerWaalsContact CZ-CD2 3.42Å; Y126-L1019 WeakPolarHBondContact OH-CD2 3.46Å |
| 127 | L | 91.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 32.5 Ų | 32.5 | 37% | 0.366 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -94.1 | 0.3 | -177.4 | -67.1 | 173.5 | 0 | 0 | 0 | 114.6 | Q93 C123 H162 | Q93-L127 HydrophobicContact CB-CD1 4.21Å; Q93-L127 HydrophobicContact CG-CD1 3.36Å; Q93-L127 WeakPolarHBondContact O-CD1 3.5Å; C123-L127 WeakPolarHBondContact O-CB 3.21Å; C123-L127 PolarHBondContact O-N 3.18Å; C123-L127 VanDerWaalsContact O-N 3.08Å; L127-H162 VanDerWaalsContact C-NE2 3.26Å |
| 128 | G | 92.4 | Very high | 93.2 | Very high | 28 Ų | 28 | 32.3 Ų | 32.3 | 29% | 0.289 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 17.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | A124 L130 H162 | A124-G128 PolarHBondContact O-N 2.88Å; A124-G128 VanDerWaalsContact O-N 3.12Å; G128-L130 VanDerWaalsContact C-N 3.34Å; G128-L130 PolarHBondContact O-N 2.96Å; G128-H162 WeakPolarHBondContact CA-CD2 3.43Å; G128-H162 VanDerWaalsContact CA-CG 3.47Å; G128-H162 WeakPolarHBondContact CA-NE2 3.32Å; G128-H162 PolarHBondContact N-CD2 3.44Å; G128-H162 PolarHBondContact N-NE2 3.46Å; G128-H162 VanDerWaalsContact N-NE2 3.15Å |
| 129 | H | 95.1 | Very high | 93.1 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 25% | 0.245 | 17% | 0.172 | C | C | . | . | trans | -83.5 | 72 | -177.9 | -60.5 | -50 | 0 | 0 | 0 | 112.4 | A92 Q93 G95 A124 E131 V132 V133 | A92-H129 PolarHBondContact O-CD2 3.31Å; A92-H129 VanDerWaalsContact O-CD2 3.22Å; Q93-H129 PolarHBondContact O-CD2 2.99Å; Q93-H129 PolarHBondContact O-NE2 3.21Å; G95-H129 VanDerWaalsContact CA-CD2 3.47Å; G95-H129 WeakPolarHBondContact CA-CD2 3.33Å; G95-H129 WeakPolarHBondContact CA-ND1 3.41Å; G95-H129 PolarHBondContact N-CD2 3.46Å; G95-H129 PolarHBondContact N-NE2 3.49Å; A124-H129 HydrophobicContact CB-CB 4.32Å; A124-H129 PolarHBondContact O-N 2.86Å; H129-E131 PolarHBondContact O-N 3.03Å; H129-V132 HydrophobicContact CB-CB 4.02Å; H129-V132 HydrophobicContact CB-CG2 4.12Å; H129-V132 WeakPolarHBondContact O-CB 3.35Å; H129-V132 PolarHBondContact O-N 3.39Å; H129-V133 PolarHBondContact O-N 3.1Å | ||
| 130 | L | 94 | Very high | 92.9 | Very high | 34 Ų | 34 | 35.8 Ų | 35.8 | 18% | 0.178 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -51.2 | -48.2 | -175.4 | 177.3 | 64.7 | 0 | 0 | 0 | 113.8 | G128 V132 V133 K134 E164 I165 Y168 | G128-L130 VanDerWaalsContact C-N 3.34Å; G128-L130 PolarHBondContact O-N 2.96Å; L130-V132 VanDerWaalsContact C-N 3.26Å; L130-V132 PolarHBondContact O-N 2.94Å; L130-V133 PolarHBondContact O-N 3.29Å; L130-V133 VanDerWaalsContact O-N 3.15Å; L130-K134 HydrophobicContact CD1-CG 4.35Å; L130-K134 HydrophobicContact CG-CD 4.22Å; L130-K134 HydrophobicContact CG-CG 4.48Å; L130-K134 WeakPolarHBondContact O-CG 3.49Å; L130-K134 PolarHBondContact O-N 3.38Å; L130-E164 HydrophobicContact CD2-CB 4.1Å; L130-I165 HydrophobicContact CB-CG1 4.05Å; L130-I165 HydrophobicContact CD1-CG1 3.88Å; L130-Y168 HydrophobicContact CD1-CD1 4.49Å; L130-Y168 HydrophobicContact CD1-CG 4.28Å |
| 131 | E | 94.9 | Very high | 92.7 | Very high | 82 Ų | 82 | 36.3 Ų | 36.3 | 38% | 0.383 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -66.4 | -30.1 | -177.5 | -63.5 | -51.9 | 132.9 | 0 | 0 | 112.6 | Q97 H129 K134 M135 | Q97-E131 HydrophobicContact CG-CB 3.9Å; H129-E131 PolarHBondContact O-N 3.03Å; E131-K134 IonicContact OE1-NZ 3.58Å; E131-K134 PolarHBondContact OE1-NZ 3.23Å; E131-K134 IonicContact OE2-NZ 3.01Å; E131-M135 WeakPolarHBondContact O-CB 3.46Å; E131-M135 PolarHBondContact O-N 3.09Å |
| 132 | V | 94.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.7 | -42.9 | 172.6 | 174.4 | 0 | 0 | 0 | 0 | 110.4 | A92 Q97 V100 A124 H129 L130 M135 L136 | A92-V132 HydrophobicContact CB-CG1 4.11Å; Q97-V132 HydrophobicContact CG-CG2 4.02Å; V100-V132 HydrophobicContact CG1-CG1 4.36Å; V100-V132 HydrophobicContact CG2-CG1 4.05Å; V100-V132 HydrophobicContact CG2-CG2 4.31Å; A124-V132 HydrophobicContact CB-CB 4.2Å; A124-V132 HydrophobicContact CB-CG1 3.77Å; H129-V132 HydrophobicContact CB-CB 4.02Å; H129-V132 HydrophobicContact CB-CG2 4.12Å; H129-V132 WeakPolarHBondContact O-CB 3.35Å; H129-V132 PolarHBondContact O-N 3.39Å; L130-V132 VanDerWaalsContact C-N 3.26Å; L130-V132 PolarHBondContact O-N 2.94Å; V132-M135 PolarHBondContact O-N 3.13Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.23Å; V132-L136 WeakPolarHBondContact O-CB 3.34Å; V132-L136 VanDerWaalsContact O-CG 3.28Å; V132-L136 WeakPolarHBondContact O-CG 3.32Å; V132-L136 PolarHBondContact O-N 3.39Å |
| 133 | V | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.9 | -46.8 | 176.2 | 174.9 | 0 | 0 | 0 | 0 | 111.2 | I121 A124 A125 H129 L130 M135 L136 I137 I165 Y168 L169 | I121-V133 HydrophobicContact CD1-CG1 4.4Å; I121-V133 HydrophobicContact CG1-CG1 4.39Å; A124-V133 HydrophobicContact CB-CG2 3.72Å; A125-V133 HydrophobicContact CB-CG2 4.33Å; H129-V133 PolarHBondContact O-N 3.1Å; L130-V133 PolarHBondContact O-N 3.29Å; L130-V133 VanDerWaalsContact O-N 3.15Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 PolarHBondContact O-N 2.88Å; V133-L136 PolarHBondContact O-N 3.22Å; V133-I137 HydrophobicContact CG1-CD1 3.85Å; V133-I137 WeakPolarHBondContact O-CG1 3.46Å; V133-I137 PolarHBondContact O-N 2.86Å; V133-I165 HydrophobicContact CG1-CG2 4.34Å; V133-I165 HydrophobicContact CG2-CD1 4.2Å; V133-I165 HydrophobicContact CG2-CG2 4.39Å; V133-Y168 HydrophobicContact CG1-CD1 4.33Å; V133-L169 HydrophobicContact CG1-CD2 4.19Å |
| 134 | K | 94.7 | Very high | 92.3 | Very high | 64 Ų | 64 | 45.3 Ų | 45.3 | 28% | 0.278 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -55.2 | -47.1 | 173.7 | -72.6 | 174.3 | 179.9 | 168.1 | 0 | 111.5 | L130 E131 S138 Y168 | L130-K134 HydrophobicContact CD1-CG 4.35Å; L130-K134 HydrophobicContact CG-CD 4.22Å; L130-K134 HydrophobicContact CG-CG 4.48Å; L130-K134 WeakPolarHBondContact O-CG 3.49Å; L130-K134 PolarHBondContact O-N 3.38Å; E131-K134 IonicContact OE1-NZ 3.58Å; E131-K134 PolarHBondContact OE1-NZ 3.23Å; E131-K134 IonicContact OE2-NZ 3.01Å; K134-S138 WeakPolarHBondContact O-CB 3.35Å; K134-S138 PolarHBondContact O-N 3.08Å; K134-S138 PolarHBondContact O-OG 3.42Å; K134-Y168 HydrophobicContact CB-CE1 4.16Å; K134-Y168 HydrophobicContact CG-CD1 3.96Å; K134-Y168 HydrophobicContact CG-CD2 4.15Å; K134-Y168 HydrophobicContact CG-CE1 3.6Å; K134-Y168 HydrophobicContact CG-CE2 3.84Å; K134-Y168 HydrophobicContact CG-CG 4.22Å |
| 135 | M | 93.4 | Very high | 92.2 | Very high | 34 Ų | 34 | 45.5 Ų | 45.5 | 17% | 0.167 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -46.4 | -180 | -171 | 178.3 | -56.9 | 0 | 0 | 111.9 | Q97 V100 K101 L104 E131 V132 V133 S138 R139 | Q97-M135 HydrophobicContact CB-CE 4.35Å; V100-M135 HydrophobicContact CB-SD 4.37Å; V100-M135 HydrophobicContact CG1-SD 3.95Å; K101-M135 HydrophobicContact CB-CE 4.1Å; K101-M135 HydrophobicContact CB-SD 3.7Å; K101-M135 HydrophobicContact CG-SD 4.28Å; L104-M135 HydrophobicContact CD1-CG 4.26Å; L104-M135 HydrophobicContact CD1-SD 4.42Å; E131-M135 WeakPolarHBondContact O-CB 3.46Å; E131-M135 PolarHBondContact O-N 3.09Å; V132-M135 PolarHBondContact O-N 3.13Å; V133-M135 VanDerWaalsContact C-N 3.31Å; V133-M135 PolarHBondContact O-N 2.88Å; M135-S138 PolarHBondContact O-N 3.44Å; M135-S138 PolarHBondContact O-OG 2.91Å; M135-R139 WeakPolarHBondContact O-CG 3.41Å; M135-R139 PolarHBondContact O-N 2.85Å |
| 136 | L | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -46.4 | 179.1 | -70 | 170.7 | 0 | 0 | 0 | 111.3 | V100 L104 L110 P120 I121 V132 V133 R139 G140 A141 | V100-L136 HydrophobicContact CG1-CD2 4.27Å; L104-L136 HydrophobicContact CD1-CD2 4.09Å; L104-L136 HydrophobicContact CD2-CD2 4.42Å; L110-L136 HydrophobicContact CD2-CD2 3.46Å; L110-L136 VanDerWaalsContact CD2-CD2 3.46Å; P120-L136 HydrophobicContact CB-CD1 4.41Å; I121-L136 HydrophobicContact CB-CD1 4.01Å; I121-L136 HydrophobicContact CG1-CD1 4.49Å; V132-L136 HydrophobicContact CG1-CD1 3.83Å; V132-L136 HydrophobicContact CG1-CG 4.23Å; V132-L136 WeakPolarHBondContact O-CB 3.34Å; V132-L136 VanDerWaalsContact O-CG 3.28Å; V132-L136 WeakPolarHBondContact O-CG 3.32Å; V132-L136 PolarHBondContact O-N 3.39Å; V133-L136 PolarHBondContact O-N 3.22Å; L136-R139 PolarHBondContact O-N 3.16Å; L136-G140 PolarHBondContact O-N 3.23Å; L136-A141 VanDerWaalsContact C-CB 3.48Å; L136-A141 HydrophobicContact CB-CB 3.94Å; L136-A141 WeakPolarHBondContact O-CB 3.36Å; L136-A141 PolarHBondContact O-N 2.86Å |
| 137 | I | 93.6 | Very high | 92.1 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 14% | 0.138 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 177.9 | -69.5 | 173.4 | 0 | 0 | 0 | 111.2 | I121 V133 R139 G140 K143 Y168 L169 | I121-I137 HydrophobicContact CD1-CD1 4.01Å; I121-I137 HydrophobicContact CD1-CG1 3.7Å; V133-I137 HydrophobicContact CG1-CD1 3.85Å; V133-I137 WeakPolarHBondContact O-CG1 3.46Å; V133-I137 PolarHBondContact O-N 2.86Å; I137-R139 PolarHBondContact O-N 3.11Å; I137-R139 VanDerWaalsContact O-N 3.12Å; I137-G140 PolarHBondContact O-N 3.07Å; I137-K143 HydrophobicContact CD1-CB 4.14Å; I137-K143 HydrophobicContact CG1-CB 4.47Å; I137-Y168 HydrophobicContact CD1-CD1 4.45Å; I137-Y168 HydrophobicContact CD1-CE1 3.9Å; I137-L169 HydrophobicContact CD1-CD2 3.5Å |
| 138 | S | 92 | Very high | 92.1 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 59% | 0.594 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -61 | -23.5 | 177.4 | 75.3 | 0 | 0 | 0 | 0 | 113.6 | K134 M135 | K134-S138 WeakPolarHBondContact O-CB 3.35Å; K134-S138 PolarHBondContact O-N 3.08Å; K134-S138 PolarHBondContact O-OG 3.42Å; M135-S138 PolarHBondContact O-N 3.44Å; M135-S138 PolarHBondContact O-OG 2.91Å |
| 139 | R | 89.6 | Confident | 91.9 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.5 | 177.8 | -64.6 | -65.7 | -174.1 | 90.2 | -2.9 | 113.2 | L104 N105 L110 M135 L136 I137 | L104-R139 HydrophobicContact CD1-CB 4.46Å; L104-R139 HydrophobicContact CD1-CG 4.07Å; N105-R139 PolarHBondContact OD1-NH1 3.25Å; N105-R139 PolarHBondContact OD1-NH2 2.98Å; L110-R139 HydrophobicContact CD1-CB 4.06Å; L110-R139 VanDerWaalsContact CD1-O 3.22Å; L110-R139 WeakPolarHBondContact CD1-O 3.42Å; M135-R139 WeakPolarHBondContact O-CG 3.41Å; M135-R139 PolarHBondContact O-N 2.85Å; L136-R139 PolarHBondContact O-N 3.16Å; I137-R139 PolarHBondContact O-N 3.11Å; I137-R139 VanDerWaalsContact O-N 3.12Å |
| 140 | G | 87.6 | Confident | 91.7 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 66% | 0.66 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.9 | 18.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | L136 I137 | L136-G140 PolarHBondContact O-N 3.23Å; I137-G140 PolarHBondContact O-N 3.07Å |
| 141 | A | 89.8 | Confident | 91.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | trans | -63.1 | 136.1 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L110 I121 L136 K143 | L110-A141 HydrophobicContact CD2-CB 4.41Å; I121-A141 HydrophobicContact CD1-CB 4.39Å; L136-A141 VanDerWaalsContact C-CB 3.48Å; L136-A141 HydrophobicContact CB-CB 3.94Å; L136-A141 WeakPolarHBondContact O-CB 3.36Å; L136-A141 PolarHBondContact O-N 2.86Å; A141-K143 PolarHBondContact O-N 3.38Å | ||
| 142 | D | 90 | Very high | 91.6 | Very high | 78 Ų | 78 | 45.4 Ų | 45.4 | 42% | 0.417 | 25% | 0.247 | S | C | . | . | trans | -70.1 | 116.3 | 175.6 | 178.8 | 14.3 | 0 | 0 | 0 | 110 | S144 C145 | D142-S144 PolarHBondContact O-N 3.08Å; D142-S144 WeakPolarHBondContact OD1-CA 3.2Å; D142-S144 WeakPolarHBondContact OD1-CB 3.31Å; D142-S144 PolarHBondContact OD1-N 3.33Å; D142-S144 PolarHBondContact OD1-OG 2.99Å; D142-S144 PolarHBondContact OD2-OG 3.13Å; D142-C145 HydrophobicContact CB-CB 4.22Å; D142-C145 PolarHBondContact O-SG 3.39Å; D142-C145 PolarHBondContact OD2-N 2.94Å | ||
| 143 | K | 87.8 | Confident | 91.6 | Very high | 69 Ų | 69 | 45.3 Ų | 45.3 | 30% | 0.3 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -14.3 | 177.2 | 70.3 | -161.2 | 177.3 | -158.2 | 0 | 113 | I137 A141 P153 L169 M172 G173 | I137-K143 HydrophobicContact CD1-CB 4.14Å; I137-K143 HydrophobicContact CG1-CB 4.47Å; A141-K143 PolarHBondContact O-N 3.38Å; K143-P153 WeakPolarHBondContact O-CD 3.46Å; K143-L169 HydrophobicContact CB-CD2 4.38Å; K143-M172 HydrophobicContact CD-CB 4.4Å; K143-M172 WeakPolarHBondContact CE-O 3.49Å; K143-M172 PolarHBondContact NZ-O 3.38Å; K143-G173 WeakPolarHBondContact CE-O 3.46Å; K143-G173 PolarHBondContact NZ-O 3.45Å |
| 144 | S | 90.5 | Very high | 91.7 | Very high | 64 Ų | 64 | 45.5 Ų | 45.5 | 45% | 0.448 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 7.8 | 179.2 | 69.2 | 0 | 0 | 0 | 0 | 113.5 | D142 | D142-S144 PolarHBondContact O-N 3.08Å; D142-S144 WeakPolarHBondContact OD1-CA 3.2Å; D142-S144 WeakPolarHBondContact OD1-CB 3.31Å; D142-S144 PolarHBondContact OD1-N 3.33Å; D142-S144 PolarHBondContact OD1-OG 2.99Å; D142-S144 PolarHBondContact OD2-OG 3.13Å |
| 145 | C | 91.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 42.5 Ų | 42.5 | 3% | 0.027 | 24% | 0.235 | C | C | . | . | trans | -56.3 | 143.6 | 179.7 | 62.3 | 0 | 0 | 0 | 0 | 111.1 | Q119 I121 H122 D142 T152 P153 | Q119-C145 HydrophobicContact CG-CB 4.47Å; I121-C145 VanDerWaalsContact CG2-SG 3.53Å; H122-C145 PolarHBondContact CE1-SG 3.27Å; H122-C145 PolarHBondContact NE2-O 3.44Å; D142-C145 HydrophobicContact CB-CB 4.22Å; D142-C145 PolarHBondContact O-SG 3.39Å; D142-C145 PolarHBondContact OD2-N 2.94Å; C145-T152 WeakPolarHBondContact O-CA 3.38Å; C145-P153 WeakPolarHBondContact O-CD 3.5Å; C145-P153 VanDerWaalsContact SG-CG 3.59Å | ||
| 146 | K | 93.3 | Very high | 91.6 | Very high | 95 Ų | 95 | 41.5 Ų | 41.5 | 41% | 0.413 | 23% | 0.232 | S | C | . | . | trans | -114.5 | 136.4 | -177.9 | -70.7 | -176.8 | -175.9 | -172.9 | 0 | 109.9 | Y151 T152 E178 | K146-Y151 WeakPolarHBondContact CA-O 3.36Å; K146-T152 HydrophobicContact CG-CG2 4.09Å; K146-E178 IonicContact NZ-OE2 3.65Å; K146-E178 PolarHBondContact NZ-OE2 2.81Å | ||
| 147 | D | 91.1 | Very high | 91.7 | Very high | 25 Ų | 25 | 41.4 Ų | 41.4 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | trans | -78 | -177.6 | 166.3 | 81.5 | -1 | 0 | 0 | 0 | 111.5 | R118 L149 G150 Y151 | R118-D147 HydrophobicContact CG-CB 3.74Å; D147-L149 PolarHBondContact O-N 3.44Å; D147-L149 VanDerWaalsContact O-N 3.08Å; D147-L149 WeakPolarHBondContact OD1-CA 3.35Å; D147-L149 PolarHBondContact OD1-N 3.44Å; D147-G150 WeakPolarHBondContact O-CA 3.37Å; D147-G150 PolarHBondContact O-N 2.8Å; D147-G150 PolarHBondContact OD1-N 3.45Å; D147-Y151 PolarHBondContact N-O 3.08Å; D147-Y151 PolarHBondContact OD1-N 3.43Å | ||
| 148 | K | 91.1 | Very high | 91.7 | Very high | 137 Ų | 137 | 40.1 Ų | 40.1 | 60% | 0.596 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -27.2 | -176.9 | -178.2 | 174.7 | -177.6 | 176.5 | 0 | 113.2 | K116 E117 | K116-K148 WeakPolarHBondContact O-CB 3.31Å; K116-K148 PolarHBondContact O-N 2.94Å; E117-K148 HydrophobicContact CB-CB 4.08Å; E117-K148 HydrophobicContact CG-CB 4.13Å |
| 149 | L | 87.3 | Confident | 91.7 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 33% | 0.325 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 8.5 | 179 | -61.5 | -179.8 | 0 | 0 | 0 | 112 | D147 Y151 G181 F182 | D147-L149 PolarHBondContact O-N 3.44Å; D147-L149 VanDerWaalsContact O-N 3.08Å; D147-L149 WeakPolarHBondContact OD1-CA 3.35Å; D147-L149 PolarHBondContact OD1-N 3.44Å; L149-Y151 HydrophobicContact CB-CD2 3.68Å; L149-Y151 HydrophobicContact CB-CE2 3.71Å; L149-Y151 HydrophobicContact CD1-CE2 4.3Å; L149-G181 VanDerWaalsContact O-CA 3.25Å; L149-G181 WeakPolarHBondContact O-CA 3.18Å; L149-G181 PolarHBondContact O-N 2.91Å; L149-F182 HydrophobicContact CB-CE2 4.25Å; L149-F182 HydrophobicContact CD1-CE2 4.4Å; L149-F182 HydrophobicContact CD2-CE2 4.49Å; L149-F182 HydrophobicContact CD2-CZ 4.3Å |
| 150 | G | 91.1 | Very high | 91.7 | Very high | 10 Ų | 10 | 33 Ų | 33 | 10% | 0.103 | 19% | 0.192 | C | C | . | . | trans | 79.7 | 10.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | D147 N180 | D147-G150 WeakPolarHBondContact O-CA 3.37Å; D147-G150 PolarHBondContact O-N 2.8Å; D147-G150 PolarHBondContact OD1-N 3.45Å; G150-N180 VanDerWaalsContact O-CA 3.29Å; G150-N180 WeakPolarHBondContact O-CA 3.38Å; G150-N180 VanDerWaalsContact O-CB 3.31Å; G150-N180 WeakPolarHBondContact O-CB 3.46Å | ||
| 151 | Y | 92.5 | Very high | 91.9 | Very high | 9 Ų | 9 | 30.8 Ų | 30.8 | 4% | 0.035 | 17% | 0.168 | C | C | . | . | trans | -72.2 | 134.3 | 177.4 | -71.7 | -101.3 | 0 | 0 | 0 | 110 | H122 K146 D147 L149 H155 N180 F182 V189 G1014 L1015 C1018 | H122-Y151 PolarHBondContact NE2-O 3.2Å; K146-Y151 WeakPolarHBondContact CA-O 3.36Å; D147-Y151 PolarHBondContact N-O 3.08Å; D147-Y151 PolarHBondContact OD1-N 3.43Å; L149-Y151 HydrophobicContact CB-CD2 3.68Å; L149-Y151 HydrophobicContact CB-CE2 3.71Å; L149-Y151 HydrophobicContact CD1-CE2 4.3Å; Y151-H155 HydrophobicContact CD1-CB 3.67Å; Y151-H155 HydrophobicContact CG-CB 4.42Å; Y151-N180 VanDerWaalsContact CE1-ND2 3.31Å; Y151-N180 WeakPolarHBondContact CE1-ND2 3.33Å; Y151-N180 PolarHBondContact OH-ND2 3.1Å; Y151-F182 HydrophobicContact CE2-CD2 4.42Å; Y151-F182 HydrophobicContact CE2-CE2 4.19Å; Y151-V189 HydrophobicContact CE1-CG2 4.16Å; Y151-G1014 PolarHBondContact OH-O 3.36Å; Y151-L1015 HydrophobicContact CE1-CD2 4.05Å; Y151-L1015 WeakPolarHBondContact OH-CD2 3.42Å; Y151-C1018 VanDerWaalsContact CZ-SG 3.52Å | ||
| 152 | T | 95.1 | Very high | 92.1 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.043 | 18% | 0.176 | C | C | . | . | trans | -95.6 | 166.5 | 172.6 | 72 | 0 | 0 | 0 | 0 | 111 | C145 K146 L154 H155 A156 | C145-T152 WeakPolarHBondContact O-CA 3.38Å; K146-T152 HydrophobicContact CG-CG2 4.09Å; T152-L154 PolarHBondContact O-N 3.12Å; T152-L154 VanDerWaalsContact O-N 3.16Å; T152-L154 PolarHBondContact OG1-N 3.43Å; T152-H155 PolarHBondContact N-ND1 3.38Å; T152-H155 WeakPolarHBondContact O-CB 3.21Å; T152-H155 PolarHBondContact O-N 3.36Å; T152-H155 PolarHBondContact OG1-N 2.97Å; T152-H155 PolarHBondContact OG1-ND1 2.84Å; T152-A156 PolarHBondContact O-N 2.93Å | ||
| 153 | P | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -55 | -31.6 | 172.6 | -28.1 | 37 | 0 | 0 | 0 | 113.4 | I121 A125 K143 C145 A156 A157 L169 | I121-P153 HydrophobicContact CD1-CB 4.49Å; I121-P153 HydrophobicContact CD1-CG 4.24Å; I121-P153 HydrophobicContact CG1-CB 4.19Å; I121-P153 HydrophobicContact CG1-CG 4.09Å; I121-P153 HydrophobicContact CG2-CG 3.84Å; A125-P153 HydrophobicContact CB-CB 4.07Å; A125-P153 WeakPolarHBondContact CB-O 3.47Å; K143-P153 WeakPolarHBondContact O-CD 3.46Å; C145-P153 WeakPolarHBondContact O-CD 3.5Å; C145-P153 VanDerWaalsContact SG-CG 3.59Å; P153-A156 PolarHBondContact O-N 3.37Å; P153-A157 PolarHBondContact O-N 3.39Å; P153-L169 HydrophobicContact CB-CD1 4.13Å |
| 154 | L | 95.9 | Very high | 92.8 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 174.9 | -174 | 65 | 0 | 0 | 0 | 111.6 | T152 A156 A157 A158 V166 L169 L170 A186 | T152-L154 PolarHBondContact O-N 3.12Å; T152-L154 VanDerWaalsContact O-N 3.16Å; T152-L154 PolarHBondContact OG1-N 3.43Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3.39Å; L154-A157 PolarHBondContact O-N 3.14Å; L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.23Å; L154-A158 PolarHBondContact O-N 3.47Å; L154-V166 HydrophobicContact CD1-CB 4.32Å; L154-V166 HydrophobicContact CD1-CG1 3.98Å; L154-V166 HydrophobicContact CD1-CG2 4.25Å; L154-L169 HydrophobicContact CB-CD1 4.22Å; L154-L169 HydrophobicContact CD1-CB 4.19Å; L154-L169 HydrophobicContact CD1-CD1 4.24Å; L154-L170 HydrophobicContact CD1-CD2 4.39Å; L154-L170 HydrophobicContact CD1-CG 4.43Å; L154-L170 HydrophobicContact CD2-CD2 4.15Å; L154-A186 HydrophobicContact CD2-CB 4.02Å; L154-A186 HydrophobicContact CG-CB 3.84Å |
| 155 | H | 94.3 | Very high | 93 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 1% | 0.009 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -62.6 | -40.6 | 174 | -65.1 | 88.8 | 0 | 0 | 0 | 111.9 | Y151 T152 A158 A159 E178 N184 T185 A186 | Y151-H155 HydrophobicContact CD1-CB 3.67Å; Y151-H155 HydrophobicContact CG-CB 4.42Å; T152-H155 PolarHBondContact N-ND1 3.38Å; T152-H155 WeakPolarHBondContact O-CB 3.21Å; T152-H155 PolarHBondContact O-N 3.36Å; T152-H155 PolarHBondContact OG1-N 2.97Å; T152-H155 PolarHBondContact OG1-ND1 2.84Å; H155-A158 PolarHBondContact O-N 3.02Å; H155-A159 PolarHBondContact O-N 2.95Å; H155-E178 PolarHBondContact CE1-O 2.88Å; H155-E178 PolarHBondContact NE2-O 3.5Å; H155-N184 PolarHBondContact NE2-O 2.59Å; H155-T185 VanDerWaalsContact CD2-C 3.49Å; H155-T185 VanDerWaalsContact NE2-C 3.33Å; H155-A186 PolarHBondContact CD2-N 2.89Å; H155-A186 PolarHBondContact NE2-N 2.96Å |
| 156 | A | 92.4 | Very high | 93.2 | Very high | 13 Ų | 13 | 30.2 Ų | 30.2 | 11% | 0.107 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.8 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A125 T152 P153 L154 A158 A159 S160 | A125-A156 HydrophobicContact CB-CB 4.32Å; T152-A156 PolarHBondContact O-N 2.93Å; P153-A156 PolarHBondContact O-N 3.37Å; L154-A156 VanDerWaalsContact C-N 3.32Å; L154-A156 PolarHBondContact O-N 3.39Å; A156-A158 VanDerWaalsContact C-N 3.33Å; A156-A159 PolarHBondContact O-N 2.97Å; A156-S160 PolarHBondContact O-N 3.46Å; A156-S160 PolarHBondContact O-OG 2.99Å |
| 157 | A | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.3 | -34.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A125 P153 L154 G161 H162 I165 V166 | A125-A157 HydrophobicContact CB-CB 4.36Å; P153-A157 PolarHBondContact O-N 3.39Å; L154-A157 PolarHBondContact O-N 3.14Å; A157-G161 PolarHBondContact O-N 2.97Å; A157-G161 VanDerWaalsContact O-N 3.09Å; A157-H162 PolarHBondContact O-N 2.91Å; A157-I165 HydrophobicContact CB-CB 4.09Å; A157-I165 HydrophobicContact CB-CG2 3.77Å; A157-V166 HydrophobicContact CB-CG2 3.88Å |
| 158 | A | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69.7 | -34.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L154 H155 A156 A186 A190 V198 | L154-A158 VanDerWaalsContact O-CB 3.28Å; L154-A158 WeakPolarHBondContact O-CB 3.23Å; L154-A158 PolarHBondContact O-N 3.47Å; H155-A158 PolarHBondContact O-N 3.02Å; A156-A158 VanDerWaalsContact C-N 3.33Å; A158-A186 HydrophobicContact CB-CB 4.09Å; A158-A190 HydrophobicContact CB-CB 4.37Å; A158-V198 HydrophobicContact CB-CG1 4Å |
| 159 | A | 91.3 | Very high | 93.7 | Very high | 12 Ų | 12 | 22.9 Ų | 22.9 | 10% | 0.099 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.7 | -41.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y126 H155 A156 V189 M193 | Y126-A159 HydrophobicContact CE2-CB 4.38Å; H155-A159 PolarHBondContact O-N 2.95Å; A156-A159 PolarHBondContact O-N 2.97Å; A159-V189 HydrophobicContact CB-CG1 3.58Å; A159-M193 HydrophobicContact CB-CG 4.47Å |
| 160 | S | 89.2 | Confident | 94 | Very high | 28 Ų | 28 | 20.7 Ų | 20.7 | 20% | 0.196 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -93.3 | -2.8 | -176.9 | 52.5 | 0 | 0 | 0 | 0 | 114.7 | Y126 A156 H162 | Y126-S160 WeakPolarHBondContact O-CB 3.31Å; Y126-S160 PolarHBondContact O-OG 2.99Å; A156-S160 PolarHBondContact O-N 3.46Å; A156-S160 PolarHBondContact O-OG 2.99Å; S160-H162 PolarHBondContact OG-CD2 3.06Å; S160-H162 PolarHBondContact OG-NE2 3.36Å |
| 161 | G | 92 | Very high | 94.2 | Very high | 16 Ų | 16 | 29.4 Ų | 29.4 | 17% | 0.165 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.1 | 21.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | A157 I163 | A157-G161 PolarHBondContact O-N 2.97Å; A157-G161 VanDerWaalsContact O-N 3.09Å; G161-I163 PolarHBondContact O-N 2.89Å |
| 162 | H | 94.8 | Very high | 94.1 | Very high | 57 Ų | 57 | 32.2 Ų | 32.2 | 26% | 0.264 | 16% | 0.155 | S | C | . | . | trans | -84.5 | 78.9 | -176.6 | -62.9 | -43.5 | 0 | 0 | 0 | 113 | A125 Y126 L127 G128 A157 S160 E164 I165 V166 | A125-H162 PolarHBondContact O-CD2 3.25Å; Y126-H162 PolarHBondContact O-CD2 3.5Å; Y126-H162 PolarHBondContact O-NE2 3.3Å; L127-H162 VanDerWaalsContact C-NE2 3.26Å; G128-H162 WeakPolarHBondContact CA-CD2 3.43Å; G128-H162 VanDerWaalsContact CA-CG 3.47Å; G128-H162 WeakPolarHBondContact CA-NE2 3.32Å; G128-H162 PolarHBondContact N-CD2 3.44Å; G128-H162 PolarHBondContact N-NE2 3.46Å; G128-H162 VanDerWaalsContact N-NE2 3.15Å; A157-H162 PolarHBondContact O-N 2.91Å; S160-H162 PolarHBondContact OG-CD2 3.06Å; S160-H162 PolarHBondContact OG-NE2 3.36Å; H162-E164 VanDerWaalsContact C-N 3.33Å; H162-E164 PolarHBondContact O-N 3.47Å; H162-I165 HydrophobicContact CB-CB 4.37Å; H162-I165 HydrophobicContact CB-CD1 4.23Å; H162-I165 HydrophobicContact CB-CG1 4.38Å; H162-I165 PolarHBondContact O-N 3.45Å; H162-I165 VanDerWaalsContact O-N 3.1Å; H162-V166 PolarHBondContact O-N 3.5Å; H162-V166 VanDerWaalsContact O-N 3.16Å | ||
| 163 | I | 95.6 | Very high | 93.8 | Very high | 47 Ų | 47 | 34 Ų | 34 | 24% | 0.241 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -53.4 | -43.9 | -175.4 | -55.4 | 157 | 0 | 0 | 0 | 112.9 | G161 I165 V166 K167 A197 V198 | G161-I163 PolarHBondContact O-N 2.89Å; I163-I165 PolarHBondContact O-N 3.1Å; I163-V166 WeakPolarHBondContact O-CB 3.12Å; I163-V166 PolarHBondContact O-N 3.42Å; I163-V166 VanDerWaalsContact O-N 3.11Å; I163-K167 HydrophobicContact CG2-CD 4.12Å; I163-K167 HydrophobicContact CG2-CG 4.29Å; I163-K167 WeakPolarHBondContact O-CG 3.32Å; I163-K167 PolarHBondContact O-N 2.91Å; I163-A197 HydrophobicContact CD1-CB 3.35Å; I163-A197 HydrophobicContact CG1-CB 4.06Å; I163-V198 HydrophobicContact CB-CG2 4.43Å; I163-V198 HydrophobicContact CG1-CG2 3.63Å |
| 164 | E | 95.9 | Very high | 93.7 | Very high | 110 Ų | 110 | 34.5 Ų | 34.5 | 51% | 0.514 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.5 | -29.4 | -176.4 | -63.2 | -55 | 124.2 | 0 | 0 | 112.6 | L130 H162 K167 Y168 | L130-E164 HydrophobicContact CD2-CB 4.1Å; H162-E164 VanDerWaalsContact C-N 3.33Å; H162-E164 PolarHBondContact O-N 3.47Å; E164-K167 IonicContact OE1-NZ 3.8Å; E164-K167 PolarHBondContact OE1-NZ 2.81Å; E164-Y168 WeakPolarHBondContact O-CB 3.48Å; E164-Y168 PolarHBondContact O-N 3.44Å; E164-Y168 VanDerWaalsContact O-N 3.16Å |
| 165 | I | 95.1 | Very high | 93.5 | Very high | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -75 | -42.3 | 173.2 | -63.2 | -177.4 | 0 | 0 | 0 | 110.3 | A125 L130 V133 A157 H162 I163 Y168 L169 | A125-I165 HydrophobicContact CB-CG2 4.24Å; L130-I165 HydrophobicContact CB-CG1 4.05Å; L130-I165 HydrophobicContact CD1-CG1 3.88Å; V133-I165 HydrophobicContact CG1-CG2 4.34Å; V133-I165 HydrophobicContact CG2-CD1 4.2Å; V133-I165 HydrophobicContact CG2-CG2 4.39Å; A157-I165 HydrophobicContact CB-CB 4.09Å; A157-I165 HydrophobicContact CB-CG2 3.77Å; H162-I165 HydrophobicContact CB-CB 4.37Å; H162-I165 HydrophobicContact CB-CD1 4.23Å; H162-I165 HydrophobicContact CB-CG1 4.38Å; H162-I165 PolarHBondContact O-N 3.45Å; H162-I165 VanDerWaalsContact O-N 3.1Å; I163-I165 PolarHBondContact O-N 3.1Å; I165-Y168 PolarHBondContact O-N 3.27Å; I165-L169 HydrophobicContact CG2-CD1 3.77Å; I165-L169 HydrophobicContact CG2-CG 4.11Å; I165-L169 WeakPolarHBondContact O-CB 3.26Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.23Å; I165-L169 PolarHBondContact O-N 3.43Å |
| 166 | V | 96.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.2 | -53.2 | 174.8 | 172.1 | 0 | 0 | 0 | 0 | 110.2 | L154 A157 H162 I163 Y168 L169 L170 V198 L202 | L154-V166 HydrophobicContact CD1-CB 4.32Å; L154-V166 HydrophobicContact CD1-CG1 3.98Å; L154-V166 HydrophobicContact CD1-CG2 4.25Å; A157-V166 HydrophobicContact CB-CG2 3.88Å; H162-V166 PolarHBondContact O-N 3.5Å; H162-V166 VanDerWaalsContact O-N 3.16Å; I163-V166 WeakPolarHBondContact O-CB 3.12Å; I163-V166 PolarHBondContact O-N 3.42Å; I163-V166 VanDerWaalsContact O-N 3.11Å; V166-Y168 VanDerWaalsContact C-N 3.28Å; V166-Y168 PolarHBondContact O-N 3.04Å; V166-L169 PolarHBondContact O-N 3.08Å; V166-L170 HydrophobicContact CG1-CD1 3.82Å; V166-L170 HydrophobicContact CG1-CG 4.29Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.42Å; V166-L170 PolarHBondContact O-N 2.9Å; V166-V198 HydrophobicContact CG1-CG1 4.38Å; V166-V198 HydrophobicContact CG2-CG1 3.92Å; V166-V198 HydrophobicContact CG2-CG2 4.43Å; V166-L202 HydrophobicContact CG1-CD2 3.98Å; V166-L202 HydrophobicContact CG1-CG 4.3Å |
| 167 | K | 95.5 | Very high | 93.6 | Very high | 63 Ų | 63 | 44.1 Ų | 44.1 | 27% | 0.274 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -53.1 | -44.9 | 175.4 | -75.3 | 179.3 | 179.3 | 166.3 | 0 | 112.7 | I163 E164 R171 E201 | I163-K167 HydrophobicContact CG2-CD 4.12Å; I163-K167 HydrophobicContact CG2-CG 4.29Å; I163-K167 WeakPolarHBondContact O-CG 3.32Å; I163-K167 PolarHBondContact O-N 2.91Å; E164-K167 IonicContact OE1-NZ 3.8Å; E164-K167 PolarHBondContact OE1-NZ 2.81Å; K167-R171 WeakPolarHBondContact O-CB 3.36Å; K167-R171 PolarHBondContact O-N 3.06Å; K167-E201 VanDerWaalsContact CE-OE1 3.23Å; K167-E201 WeakPolarHBondContact CE-OE1 3.37Å; K167-E201 VanDerWaalsContact CE-OE2 3.26Å; K167-E201 WeakPolarHBondContact CE-OE2 3.42Å; K167-E201 HydrophobicContact CG-CG 3.78Å; K167-E201 VanDerWaalsContact CG-OE1 3.29Å; K167-E201 WeakPolarHBondContact CG-OE1 3.3Å |
| 168 | Y | 95.6 | Very high | 93.5 | Very high | 39 Ų | 39 | 47.3 Ų | 47.3 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.3 | -46.7 | -179.8 | -179.6 | -107.6 | 0 | 0 | 0 | 112 | L130 V133 K134 I137 E164 I165 V166 L170 R171 M172 | L130-Y168 HydrophobicContact CD1-CD1 4.49Å; L130-Y168 HydrophobicContact CD1-CG 4.28Å; V133-Y168 HydrophobicContact CG1-CD1 4.33Å; K134-Y168 HydrophobicContact CB-CE1 4.16Å; K134-Y168 HydrophobicContact CG-CD1 3.96Å; K134-Y168 HydrophobicContact CG-CD2 4.15Å; K134-Y168 HydrophobicContact CG-CE1 3.6Å; K134-Y168 HydrophobicContact CG-CE2 3.84Å; K134-Y168 HydrophobicContact CG-CG 4.22Å; I137-Y168 HydrophobicContact CD1-CD1 4.45Å; I137-Y168 HydrophobicContact CD1-CE1 3.9Å; E164-Y168 WeakPolarHBondContact O-CB 3.48Å; E164-Y168 PolarHBondContact O-N 3.44Å; E164-Y168 VanDerWaalsContact O-N 3.16Å; I165-Y168 PolarHBondContact O-N 3.27Å; V166-Y168 VanDerWaalsContact C-N 3.28Å; V166-Y168 PolarHBondContact O-N 3.04Å; Y168-L170 PolarHBondContact O-N 3.34Å; Y168-R171 PolarHBondContact O-N 3.11Å; Y168-M172 HydrophobicContact CD1-CG 4.43Å; Y168-M172 HydrophobicContact CD2-CG 4.34Å; Y168-M172 HydrophobicContact CE1-CG 3.97Å; Y168-M172 HydrophobicContact CE2-CE 4.31Å; Y168-M172 HydrophobicContact CE2-CG 3.86Å; Y168-M172 HydrophobicContact CE2-SD 4.03Å; Y168-M172 VanDerWaalsContact O-CG 3.3Å; Y168-M172 WeakPolarHBondContact O-CG 3.25Å; Y168-M172 PolarHBondContact O-N 3.31Å |
| 169 | L | 94.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 178.1 | -71.6 | 173.9 | 0 | 0 | 0 | 111.6 | V133 I137 K143 P153 L154 I165 V166 M172 G173 A174 | V133-L169 HydrophobicContact CG1-CD2 4.19Å; I137-L169 HydrophobicContact CD1-CD2 3.5Å; K143-L169 HydrophobicContact CB-CD2 4.38Å; P153-L169 HydrophobicContact CB-CD1 4.13Å; L154-L169 HydrophobicContact CB-CD1 4.22Å; L154-L169 HydrophobicContact CD1-CB 4.19Å; L154-L169 HydrophobicContact CD1-CD1 4.24Å; I165-L169 HydrophobicContact CG2-CD1 3.77Å; I165-L169 HydrophobicContact CG2-CG 4.11Å; I165-L169 WeakPolarHBondContact O-CB 3.26Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.23Å; I165-L169 PolarHBondContact O-N 3.43Å; V166-L169 PolarHBondContact O-N 3.08Å; L169-M172 CarbonylContact O-C 3.58Å; L169-M172 PolarHBondContact O-N 3.48Å; L169-G173 PolarHBondContact O-N 2.96Å; L169-A174 HydrophobicContact CB-CB 4.06Å; L169-A174 WeakPolarHBondContact O-CB 3.43Å; L169-A174 PolarHBondContact O-N 2.75Å |
| 170 | L | 93.9 | Very high | 93.5 | Very high | 16 Ų | 16 | 49.6 Ų | 49.6 | 8% | 0.084 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.6 | -67.8 | 178 | 0 | 0 | 0 | 111.8 | L154 V166 Y168 M172 G173 I176 L202 H205 | L154-L170 HydrophobicContact CD1-CD2 4.39Å; L154-L170 HydrophobicContact CD1-CG 4.43Å; L154-L170 HydrophobicContact CD2-CD2 4.15Å; V166-L170 HydrophobicContact CG1-CD1 3.82Å; V166-L170 HydrophobicContact CG1-CG 4.29Å; V166-L170 WeakPolarHBondContact O-CB 3.4Å; V166-L170 VanDerWaalsContact O-CG 3.24Å; V166-L170 WeakPolarHBondContact O-CG 3.42Å; V166-L170 PolarHBondContact O-N 2.9Å; Y168-L170 PolarHBondContact O-N 3.34Å; L170-M172 PolarHBondContact O-N 3.06Å; L170-G173 WeakPolarHBondContact O-CA 3.46Å; L170-G173 PolarHBondContact O-N 3.36Å; L170-I176 HydrophobicContact CD2-CB 4.3Å; L170-I176 HydrophobicContact CD2-CD1 3.83Å; L170-I176 HydrophobicContact CD2-CG1 3.56Å; L170-I176 HydrophobicContact CD2-CG2 4.32Å; L170-L202 HydrophobicContact CD1-CD2 4.22Å; L170-H205 HydrophobicContact CD1-CB 4.06Å |
| 171 | R | 93.9 | Very high | 93.5 | Very high | 192 Ų | 192 | 49.9 Ų | 49.9 | 73% | 0.725 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -34.5 | 175.8 | -172.8 | -176.4 | -60.8 | 171.5 | 2.9 | 112.6 | K167 Y168 G173 | K167-R171 WeakPolarHBondContact O-CB 3.36Å; K167-R171 PolarHBondContact O-N 3.06Å; Y168-R171 PolarHBondContact O-N 3.11Å; R171-G173 PolarHBondContact O-N 3.33Å |
| 172 | M | 91.2 | Very high | 93.3 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 34% | 0.34 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | 3.8 | 175.9 | -64.1 | -60.5 | 91.9 | 0 | 0 | 112.6 | K143 Y168 L169 L170 | K143-M172 HydrophobicContact CD-CB 4.4Å; K143-M172 WeakPolarHBondContact CE-O 3.49Å; K143-M172 PolarHBondContact NZ-O 3.38Å; Y168-M172 HydrophobicContact CD1-CG 4.43Å; Y168-M172 HydrophobicContact CD2-CG 4.34Å; Y168-M172 HydrophobicContact CE1-CG 3.97Å; Y168-M172 HydrophobicContact CE2-CE 4.31Å; Y168-M172 HydrophobicContact CE2-CG 3.86Å; Y168-M172 HydrophobicContact CE2-SD 4.03Å; Y168-M172 VanDerWaalsContact O-CG 3.3Å; Y168-M172 WeakPolarHBondContact O-CG 3.25Å; Y168-M172 PolarHBondContact O-N 3.31Å; L169-M172 CarbonylContact O-C 3.58Å; L169-M172 PolarHBondContact O-N 3.48Å; L170-M172 PolarHBondContact O-N 3.06Å |
| 173 | G | 88.8 | Confident | 93.1 | Very high | 43 Ų | 43 | 50.1 Ų | 50.1 | 44% | 0.443 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 38.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | K143 L169 L170 R171 | K143-G173 WeakPolarHBondContact CE-O 3.46Å; K143-G173 PolarHBondContact NZ-O 3.45Å; L169-G173 PolarHBondContact O-N 2.96Å; L170-G173 WeakPolarHBondContact O-CA 3.46Å; L170-G173 PolarHBondContact O-N 3.36Å; R171-G173 PolarHBondContact O-N 3.33Å |
| 174 | A | 91.6 | Very high | 93 | Very high | 11 Ų | 11 | 47.9 Ų | 47.9 | 9% | 0.091 | 25% | 0.245 | C | C | . | . | trans | -71.7 | 133.3 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | L169 I176 | L169-A174 HydrophobicContact CB-CB 4.06Å; L169-A174 WeakPolarHBondContact O-CB 3.43Å; L169-A174 PolarHBondContact O-N 2.75Å; A174-I176 PolarHBondContact O-N 2.81Å | ||
| 175 | E | 93.4 | Very high | 93 | Very high | 132 Ų | 132 | 42.7 Ų | 42.7 | 62% | 0.617 | 22% | 0.221 | S | C | * | . | trans | -65.3 | 125.1 | 178.3 | -64.7 | -64.2 | 160.3 | 0 | 0 | 110.9 | E178 | E175-E178 HydrophobicContact CB-CB 4.28Å; E175-E178 HydrophobicContact CB-CG 3.31Å; E175-E178 HydrophobicContact CG-CG 4.08Å | ||
| 176 | I | 93.6 | Very high | 93 | Very high | 36 Ų | 36 | 42.6 Ų | 42.6 | 19% | 0.185 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -41.5 | -169.1 | -47.3 | -163.9 | 0 | 0 | 0 | 111.4 | L170 A174 L202 H205 A207 | L170-I176 HydrophobicContact CD2-CB 4.3Å; L170-I176 HydrophobicContact CD2-CD1 3.83Å; L170-I176 HydrophobicContact CD2-CG1 3.56Å; L170-I176 HydrophobicContact CD2-CG2 4.32Å; A174-I176 PolarHBondContact O-N 2.81Å; I176-L202 HydrophobicContact CG2-CD2 4.13Å; I176-H205 HydrophobicContact CD1-CB 3.8Å; I176-H205 VanDerWaalsContact CD1-O 3.29Å; I176-H205 WeakPolarHBondContact CD1-O 3.39Å; I176-A207 HydrophobicContact CG2-CB 3.66Å |
| 177 | D | 93.4 | Very high | 93 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | 18.4 | -171.4 | -72.6 | -23.4 | 0 | 0 | 0 | 113 | P179 T185 N208 Q211 | D177-P179 WeakPolarHBondContact O-CD 3.5Å; D177-T185 WeakPolarHBondContact O-CG2 3.11Å; D177-N208 PolarHBondContact OD1-N 3.15Å; D177-N208 WeakPolarHBondContact OD2-CB 3.48Å; D177-N208 PolarHBondContact OD2-N 3.02Å; D177-Q211 PolarHBondContact O-NE2 3.25Å |
| 178 | E | 93.5 | Very high | 92.9 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 32% | 0.318 | 21% | 0.207 | S | C | . | . | trans | -60.8 | 123.5 | 176 | -89.2 | -68.2 | 128.6 | 0 | 0 | 111.1 | K146 H155 E175 | K146-E178 IonicContact NZ-OE2 3.65Å; K146-E178 PolarHBondContact NZ-OE2 2.81Å; H155-E178 PolarHBondContact CE1-O 2.88Å; H155-E178 PolarHBondContact NE2-O 3.5Å; E175-E178 HydrophobicContact CB-CB 4.28Å; E175-E178 HydrophobicContact CB-CG 3.31Å; E175-E178 HydrophobicContact CG-CG 4.08Å | ||
| 179 | P | 93.6 | Very high | 92.8 | Very high | 54 Ų | 54 | 37.8 Ų | 37.8 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | trans | -82.5 | 138.9 | 177.9 | 29.7 | -30.9 | 0 | 0 | 0 | 111.8 | D177 | D177-P179 WeakPolarHBondContact O-CD 3.5Š| ||
| 180 | N | 91.9 | Very high | 92.8 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.032 | 20% | 0.2 | C | C | . | . | trans | -76.4 | -174.4 | 166.1 | 76 | 7.7 | 0 | 0 | 0 | 112.3 | G150 Y151 F182 G183 N184 | G150-N180 VanDerWaalsContact O-CA 3.29Å; G150-N180 WeakPolarHBondContact O-CA 3.38Å; G150-N180 VanDerWaalsContact O-CB 3.31Å; G150-N180 WeakPolarHBondContact O-CB 3.46Å; Y151-N180 VanDerWaalsContact CE1-ND2 3.31Å; Y151-N180 WeakPolarHBondContact CE1-ND2 3.33Å; Y151-N180 PolarHBondContact OH-ND2 3.1Å; N180-F182 PolarHBondContact O-N 2.95Å; N180-F182 WeakPolarHBondContact OD1-CA 3.44Å; N180-F182 WeakPolarHBondContact OD1-CB 3.33Å; N180-F182 PolarHBondContact OD1-N 3.07Å; N180-G183 PolarHBondContact O-N 3.47Å; N180-G183 PolarHBondContact OD1-N 3.01Å; N180-N184 PolarHBondContact N-O 3.32Å; N180-N184 WeakPolarHBondContact OD1-CB 3.46Å; N180-N184 PolarHBondContact OD1-N 2.76Å; N180-N184 PolarHBondContact OD1-O 2.65Å | ||
| 181 | G | 89.3 | Confident | 92.8 | Very high | 33 Ų | 33 | 37 Ų | 37 | 34% | 0.34 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -19.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L149 K214 | L149-G181 VanDerWaalsContact O-CA 3.25Å; L149-G181 WeakPolarHBondContact O-CA 3.18Å; L149-G181 PolarHBondContact O-N 2.91Å; G181-K214 VanDerWaalsContact O-CE 3.29Å; G181-K214 WeakPolarHBondContact O-CE 3.48Å; G181-K214 PolarHBondContact O-NZ 3.37Å |
| 182 | F | 87.4 | Confident | 92.7 | Very high | 71 Ų | 71 | 30.3 Ų | 30.3 | 31% | 0.311 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.6 | -1.4 | 175.8 | -54.3 | -76.3 | 0 | 0 | 0 | 113.3 | L149 Y151 N180 N184 K214 G1014 | L149-F182 HydrophobicContact CB-CE2 4.25Å; L149-F182 HydrophobicContact CD1-CE2 4.4Å; L149-F182 HydrophobicContact CD2-CE2 4.49Å; L149-F182 HydrophobicContact CD2-CZ 4.3Å; Y151-F182 HydrophobicContact CE2-CD2 4.42Å; Y151-F182 HydrophobicContact CE2-CE2 4.19Å; N180-F182 PolarHBondContact O-N 2.95Å; N180-F182 WeakPolarHBondContact OD1-CA 3.44Å; N180-F182 WeakPolarHBondContact OD1-CB 3.33Å; N180-F182 PolarHBondContact OD1-N 3.07Å; F182-N184 VanDerWaalsContact C-N 3.29Å; F182-K214 VanDerWaalsContact O-CB 3.28Å; F182-K214 WeakPolarHBondContact O-CB 3.35Å; F182-K214 WeakPolarHBondContact O-CG 3.38Å; F182-K214 PolarHBondContact O-N 3.45Å; F182-K214 VanDerWaalsContact O-N 3.13Å; F182-G1014 VanDerWaalsContact CD2-O 3.31Å; F182-G1014 WeakPolarHBondContact CD2-O 3.43Å; F182-G1014 WeakPolarHBondContact CE2-O 3.27Å; F182-G1014 WeakPolarHBondContact CZ-O 3.49Å |
| 183 | G | 90.9 | Very high | 92.7 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 7% | 0.072 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 79.6 | 8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | N180 N213 | N180-G183 PolarHBondContact O-N 3.47Å; N180-G183 PolarHBondContact OD1-N 3.01Å; G183-N213 WeakPolarHBondContact O-CA 3.18Å; G183-N213 VanDerWaalsContact O-CB 3.29Å; G183-N213 WeakPolarHBondContact O-CB 3.49Å |
| 184 | N | 93.6 | Very high | 92.7 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | trans | -80 | 136.8 | 177.2 | -65.4 | -31.5 | 0 | 0 | 0 | 109.2 | H155 N180 F182 H188 V189 N213 | H155-N184 PolarHBondContact NE2-O 2.59Å; N180-N184 PolarHBondContact N-O 3.32Å; N180-N184 WeakPolarHBondContact OD1-CB 3.46Å; N180-N184 PolarHBondContact OD1-N 2.76Å; N180-N184 PolarHBondContact OD1-O 2.65Å; F182-N184 VanDerWaalsContact C-N 3.29Å; N184-H188 HydrophobicContact CB-CB 3.82Å; N184-V189 HydrophobicContact CB-CG2 4.45Å; N184-N213 WeakPolarHBondContact OD1-CB 3.12Å; N184-N213 PolarHBondContact OD1-ND2 2.94Å | ||
| 185 | T | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -90.5 | 175.1 | 169.6 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | H155 D177 L187 H188 V189 Q211 | H155-T185 VanDerWaalsContact CD2-C 3.49Å; H155-T185 VanDerWaalsContact NE2-C 3.33Å; D177-T185 WeakPolarHBondContact O-CG2 3.11Å; T185-L187 PolarHBondContact O-N 3.18Å; T185-L187 PolarHBondContact OG1-N 2.89Å; T185-H188 PolarHBondContact N-ND1 3.44Å; T185-H188 VanDerWaalsContact N-ND1 3.13Å; T185-H188 WeakPolarHBondContact O-CB 3.29Å; T185-H188 PolarHBondContact O-N 2.97Å; T185-H188 VanDerWaalsContact O-N 3.15Å; T185-H188 PolarHBondContact OG1-ND1 2.97Å; T185-V189 PolarHBondContact O-N 3.11Å; T185-Q211 VanDerWaalsContact CG2-CD 3.44Å; T185-Q211 HydrophobicContact CG2-CG 4.4Å; T185-Q211 VanDerWaalsContact CG2-OE1 3.27Å | ||
| 186 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -57.5 | -35.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L154 H155 A158 V189 A190 L202 | L154-A186 HydrophobicContact CD2-CB 4.02Å; L154-A186 HydrophobicContact CG-CB 3.84Å; H155-A186 PolarHBondContact CD2-N 2.89Å; H155-A186 PolarHBondContact NE2-N 2.96Å; A158-A186 HydrophobicContact CB-CB 4.09Å; A186-V189 PolarHBondContact O-N 3.15Å; A186-A190 WeakPolarHBondContact O-CB 3.34Å; A186-A190 PolarHBondContact O-N 3.24Å; A186-L202 HydrophobicContact CB-CD1 4Å; A186-L202 HydrophobicContact CB-CD2 4.29Å |
| 187 | L | 96.3 | Very high | 93 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.9 | -42.5 | 176.7 | -176.1 | 60.5 | 0 | 0 | 0 | 111.8 | T185 V189 A190 C191 A199 L202 V203 A207 V209 P219 L236 | T185-L187 PolarHBondContact O-N 3.18Å; T185-L187 PolarHBondContact OG1-N 2.89Å; L187-V189 VanDerWaalsContact C-N 3.3Å; L187-V189 PolarHBondContact O-N 2.83Å; L187-A190 PolarHBondContact O-N 2.87Å; L187-C191 WeakPolarHBondContact O-CB 3.31Å; L187-C191 PolarHBondContact O-N 2.85Å; L187-C191 PolarHBondContact O-SG 3.13Å; L187-A199 HydrophobicContact CD1-CB 3.81Å; L187-L202 HydrophobicContact CB-CD1 4.23Å; L187-L202 HydrophobicContact CD1-CB 4.31Å; L187-L202 HydrophobicContact CD1-CD1 4.41Å; L187-V203 HydrophobicContact CD1-CG2 4.03Å; L187-V203 HydrophobicContact CD2-CG2 4.07Å; L187-A207 HydrophobicContact CD2-CB 4.1Å; L187-V209 HydrophobicContact CD2-CG1 4.36Å; L187-P219 HydrophobicContact CD2-CB 4.27Å; L187-P219 HydrophobicContact CD2-CG 3.96Å; L187-P219 HydrophobicContact CG-CB 4.03Å; L187-P219 HydrophobicContact CG-CG 4.02Å; L187-L236 HydrophobicContact CD2-CD2 4.14Å |
| 188 | H | 94.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.6 | -46.1 | 174 | -73.4 | 86.7 | 0 | 0 | 0 | 111.9 | N184 T185 C191 Y192 Q211 F217 P219 L222 | N184-H188 HydrophobicContact CB-CB 3.82Å; T185-H188 PolarHBondContact N-ND1 3.44Å; T185-H188 VanDerWaalsContact N-ND1 3.13Å; T185-H188 WeakPolarHBondContact O-CB 3.29Å; T185-H188 PolarHBondContact O-N 2.97Å; T185-H188 VanDerWaalsContact O-N 3.15Å; T185-H188 PolarHBondContact OG1-ND1 2.97Å; H188-C191 PolarHBondContact O-N 2.64Å; H188-Y192 WeakPolarHBondContact O-CB 3.32Å; H188-Y192 PolarHBondContact O-N 2.81Å; H188-Q211 PolarHBondContact CE1-O 3.38Å; H188-Q211 PolarHBondContact NE2-O 2.93Å; H188-F217 PolarHBondContact NE2-O 3.45Å; H188-F217 VanDerWaalsContact NE2-O 3.17Å; H188-P219 WeakPolarHBondContact NE2-CD 3.36Å; H188-L222 HydrophobicContact CB-CD1 3.65Å; H188-L222 WeakPolarHBondContact O-CD1 3.37Å |
| 189 | V | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67 | -44.3 | -179.3 | 178.2 | 0 | 0 | 0 | 0 | 110.9 | Y151 A159 N184 T185 A186 L187 C191 Y192 M193 L1015 | Y151-V189 HydrophobicContact CE1-CG2 4.16Å; A159-V189 HydrophobicContact CB-CG1 3.58Å; N184-V189 HydrophobicContact CB-CG2 4.45Å; T185-V189 PolarHBondContact O-N 3.11Å; A186-V189 PolarHBondContact O-N 3.15Å; L187-V189 VanDerWaalsContact C-N 3.3Å; L187-V189 PolarHBondContact O-N 2.83Å; V189-C191 PolarHBondContact O-N 2.9Å; V189-Y192 PolarHBondContact O-N 3.16Å; V189-M193 HydrophobicContact CG1-CG 4.48Å; V189-M193 WeakPolarHBondContact O-CB 3.16Å; V189-M193 WeakPolarHBondContact O-CG 3.21Å; V189-M193 PolarHBondContact O-N 2.84Å; V189-L1015 HydrophobicContact CG2-CD2 4.07Å |
| 190 | A | 94.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.2 | -44.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A158 A186 L187 M193 G194 Q195 V198 A199 L202 | A158-A190 HydrophobicContact CB-CB 4.37Å; A186-A190 WeakPolarHBondContact O-CB 3.34Å; A186-A190 PolarHBondContact O-N 3.24Å; L187-A190 PolarHBondContact O-N 2.87Å; A190-M193 PolarHBondContact O-N 2.96Å; A190-G194 PolarHBondContact O-N 3.13Å; A190-Q195 HydrophobicContact CB-CB 4.3Å; A190-Q195 PolarHBondContact O-N 2.64Å; A190-V198 HydrophobicContact CB-CB 4.39Å; A190-V198 HydrophobicContact CB-CG1 4.07Å; A190-A199 HydrophobicContact CB-CB 4.34Å; A190-L202 HydrophobicContact CB-CD1 4.43Å |
| 191 | C | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 178.7 | -69.3 | 0 | 0 | 0 | 0 | 112.7 | L187 H188 V189 G194 P219 A223 | L187-C191 WeakPolarHBondContact O-CB 3.31Å; L187-C191 PolarHBondContact O-N 2.85Å; L187-C191 PolarHBondContact O-SG 3.13Å; H188-C191 PolarHBondContact O-N 2.64Å; V189-C191 PolarHBondContact O-N 2.9Å; C191-G194 PolarHBondContact O-N 2.96Å; C191-P219 HydrophobicContact CB-CB 4.4Å; C191-A223 HydrophobicContact CB-CB 4.15Å |
| 192 | Y | 91.6 | Very high | 93.8 | Very high | 53 Ų | 53 | 22.1 Ų | 22.1 | 21% | 0.208 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.5 | -45.3 | 175.1 | -176.3 | -102.5 | 0 | 0 | 0 | 112 | H188 V189 G194 L222 V225 S226 V1013 L1015 | H188-Y192 WeakPolarHBondContact O-CB 3.32Å; H188-Y192 PolarHBondContact O-N 2.81Å; V189-Y192 PolarHBondContact O-N 3.16Å; Y192-G194 PolarHBondContact O-N 3.17Å; Y192-L222 HydrophobicContact CD2-CB 4.42Å; Y192-L222 HydrophobicContact CD2-CD2 4.45Å; Y192-V225 HydrophobicContact CE2-CG1 4.15Å; Y192-S226 WeakPolarHBondContact O-CB 3.2Å; Y192-S226 PolarHBondContact O-OG 3.14Å; Y192-V1013 HydrophobicContact CE2-CB 4.25Å; Y192-V1013 HydrophobicContact CE2-CG1 4.48Å; Y192-V1013 HydrophobicContact CE2-CG2 4.46Å; Y192-L1015 HydrophobicContact CD1-CB 4.35Å; Y192-L1015 HydrophobicContact CD1-CD1 3.41Å; Y192-L1015 VanDerWaalsContact CD1-CD1 3.41Å; Y192-L1015 HydrophobicContact CD1-CG 4.43Å; Y192-L1015 HydrophobicContact CD2-CD1 4.1Å; Y192-L1015 HydrophobicContact CE1-CB 4.04Å; Y192-L1015 HydrophobicContact CE1-CD1 3.8Å; Y192-L1015 HydrophobicContact CE2-CD1 4.45Å; Y192-L1015 HydrophobicContact CG-CD1 3.55Å |
| 193 | M | 90.1 | Very high | 94.2 | Very high | 47 Ų | 47 | 19.6 Ų | 19.6 | 23% | 0.232 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -76.3 | -9.2 | 179.6 | -63 | -59 | -179.5 | 0 | 0 | 113.3 | A159 V189 A190 Q195 | A159-M193 HydrophobicContact CB-CG 4.47Å; V189-M193 HydrophobicContact CG1-CG 4.48Å; V189-M193 WeakPolarHBondContact O-CB 3.16Å; V189-M193 WeakPolarHBondContact O-CG 3.21Å; V189-M193 PolarHBondContact O-N 2.84Å; A190-M193 PolarHBondContact O-N 2.96Å; M193-Q195 HydrophobicContact CB-CG 3.96Å |
| 194 | G | 90.7 | Very high | 94.4 | Very high | 16 Ų | 16 | 24.6 Ų | 24.6 | 17% | 0.165 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 27.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A190 C191 Y192 E196 | A190-G194 PolarHBondContact O-N 3.13Å; C191-G194 PolarHBondContact O-N 2.96Å; Y192-G194 PolarHBondContact O-N 3.17Å; G194-E196 PolarHBondContact O-N 3.2Å; G194-E196 VanDerWaalsContact O-N 3.17Å |
| 195 | Q | 93.6 | Very high | 94.3 | Very high | 63 Ų | 63 | 28.8 Ų | 28.8 | 29% | 0.294 | 15% | 0.154 | S | C | . | . | trans | -86.8 | 76.6 | -178.7 | -57.4 | -64.8 | -6.7 | 0 | 0 | 110.9 | A190 M193 A197 V198 A199 | A190-Q195 HydrophobicContact CB-CB 4.3Å; A190-Q195 PolarHBondContact O-N 2.64Å; M193-Q195 HydrophobicContact CB-CG 3.96Å; Q195-A197 PolarHBondContact O-N 3.39Å; Q195-V198 HydrophobicContact CB-CB 4.22Å; Q195-V198 HydrophobicContact CB-CG2 4.45Å; Q195-V198 PolarHBondContact O-N 2.89Å; Q195-A199 PolarHBondContact O-N 2.97Å | ||
| 196 | E | 94.6 | Very high | 94.2 | Very high | 81 Ų | 81 | 31.5 Ų | 31.5 | 38% | 0.379 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -53.9 | -53.7 | -176.1 | -177.2 | -157 | 165.2 | 0 | 0 | 112.2 | G194 V198 A199 T200 L231 C232 | G194-E196 PolarHBondContact O-N 3.2Å; G194-E196 VanDerWaalsContact O-N 3.17Å; E196-V198 PolarHBondContact O-N 2.91Å; E196-A199 CarbonylContact O-C 3.55Å; E196-A199 WeakPolarHBondContact O-CA 3.47Å; E196-A199 WeakPolarHBondContact O-CB 3.44Å; E196-A199 PolarHBondContact O-N 3.34Å; E196-T200 PolarHBondContact O-N 3Å; E196-T200 PolarHBondContact O-OG1 2.84Å; E196-L231 HydrophobicContact CB-CB 4.19Å; E196-L231 HydrophobicContact CG-CB 3.83Å; E196-L231 WeakPolarHBondContact OE2-CB 3.48Å; E196-L231 WeakPolarHBondContact OE2-CD1 3.41Å; E196-C232 WeakPolarHBondContact CA-SG 3.44Å; E196-C232 PolarHBondContact N-SG 3.03Å; E196-C232 VanDerWaalsContact N-SG 3.43Å |
| 197 | A | 95.1 | Very high | 94.2 | Very high | 50 Ų | 50 | 31.9 Ų | 31.9 | 41% | 0.413 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.6 | -28.2 | -174 | 0 | 0 | 0 | 0 | 0 | 113.5 | I163 Q195 E201 | I163-A197 HydrophobicContact CD1-CB 3.35Å; I163-A197 HydrophobicContact CG1-CB 4.06Å; Q195-A197 PolarHBondContact O-N 3.39Å; A197-E201 PolarHBondContact O-N 3.16Å |
| 198 | V | 95.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.006 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -74.3 | -43.4 | 170.1 | 173.1 | 0 | 0 | 0 | 0 | 111 | A158 I163 V166 A190 Q195 E196 T200 E201 L202 | A158-V198 HydrophobicContact CB-CG1 4Å; I163-V198 HydrophobicContact CB-CG2 4.43Å; I163-V198 HydrophobicContact CG1-CG2 3.63Å; V166-V198 HydrophobicContact CG1-CG1 4.38Å; V166-V198 HydrophobicContact CG2-CG1 3.92Å; V166-V198 HydrophobicContact CG2-CG2 4.43Å; A190-V198 HydrophobicContact CB-CB 4.39Å; A190-V198 HydrophobicContact CB-CG1 4.07Å; Q195-V198 HydrophobicContact CB-CB 4.22Å; Q195-V198 HydrophobicContact CB-CG2 4.45Å; Q195-V198 PolarHBondContact O-N 2.89Å; E196-V198 PolarHBondContact O-N 2.91Å; V198-T200 VanDerWaalsContact C-N 3.31Å; V198-T200 PolarHBondContact O-N 3.19Å; V198-E201 PolarHBondContact O-N 3.42Å; V198-L202 HydrophobicContact CG1-CD1 3.79Å; V198-L202 HydrophobicContact CG1-CG 4.21Å; V198-L202 WeakPolarHBondContact O-CG 3.3Å; V198-L202 PolarHBondContact O-N 3.04Å |
| 199 | A | 95.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L187 A190 Q195 E196 E201 L202 V203 L235 | L187-A199 HydrophobicContact CD1-CB 3.81Å; A190-A199 HydrophobicContact CB-CB 4.34Å; Q195-A199 PolarHBondContact O-N 2.97Å; E196-A199 CarbonylContact O-C 3.55Å; E196-A199 WeakPolarHBondContact O-CA 3.47Å; E196-A199 WeakPolarHBondContact O-CB 3.44Å; E196-A199 PolarHBondContact O-N 3.34Å; A199-E201 VanDerWaalsContact C-N 3.34Å; A199-E201 PolarHBondContact O-N 3.3Å; A199-L202 PolarHBondContact O-N 3.33Å; A199-V203 VanDerWaalsContact O-CG2 3.31Å; A199-V203 WeakPolarHBondContact O-CG2 3.29Å; A199-V203 PolarHBondContact O-N 3.13Å; A199-L235 HydrophobicContact CB-CD2 4.49Å |
| 200 | T | 96.3 | Very high | 94.2 | Very high | 41 Ų | 41 | 38.7 Ų | 38.7 | 25% | 0.252 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -56 | -47.8 | 173.4 | -47.6 | 0 | 0 | 0 | 0 | 111.7 | E196 V198 L202 V203 N204 L235 | E196-T200 PolarHBondContact O-N 3Å; E196-T200 PolarHBondContact O-OG1 2.84Å; V198-T200 VanDerWaalsContact C-N 3.31Å; V198-T200 PolarHBondContact O-N 3.19Å; T200-L202 PolarHBondContact O-N 3.1Å; T200-V203 PolarHBondContact O-N 3.23Å; T200-N204 WeakPolarHBondContact O-CB 3.27Å; T200-N204 PolarHBondContact O-N 2.94Å; T200-N204 PolarHBondContact O-ND2 3.48Å; T200-L235 HydrophobicContact CG2-CD1 3.93Å; T200-L235 WeakPolarHBondContact OG1-CD1 3.45Å |
| 201 | E | 95.8 | Very high | 94.2 | Very high | 33 Ų | 33 | 40.4 Ų | 40.4 | 15% | 0.154 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.3 | -42.1 | -179 | -167 | 67 | -167.3 | 0 | 0 | 112.1 | K167 A197 V198 A199 N204 H205 | K167-E201 VanDerWaalsContact CE-OE1 3.23Å; K167-E201 WeakPolarHBondContact CE-OE1 3.37Å; K167-E201 VanDerWaalsContact CE-OE2 3.26Å; K167-E201 WeakPolarHBondContact CE-OE2 3.42Å; K167-E201 HydrophobicContact CG-CG 3.78Å; K167-E201 VanDerWaalsContact CG-OE1 3.29Å; K167-E201 WeakPolarHBondContact CG-OE1 3.3Å; A197-E201 PolarHBondContact O-N 3.16Å; V198-E201 PolarHBondContact O-N 3.42Å; A199-E201 VanDerWaalsContact C-N 3.34Å; A199-E201 PolarHBondContact O-N 3.3Å; E201-N204 PolarHBondContact O-N 3.17Å; E201-H205 PolarHBondContact O-N 3.14Å; E201-H205 VanDerWaalsContact O-N 3.13Å; E201-H205 PolarHBondContact O-ND1 2.93Å; E201-H205 IonicContact OE1-CE1 3.68Å; E201-H205 PolarHBondContact OE1-CE1 2.95Å; E201-H205 IonicContact OE1-ND1 3.21Å |
| 202 | L | 95.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -45.5 | 177.2 | -71 | 169.1 | 0 | 0 | 0 | 111.3 | V166 L170 I176 A186 L187 A190 V198 A199 T200 H205 G206 A207 | V166-L202 HydrophobicContact CG1-CD2 3.98Å; V166-L202 HydrophobicContact CG1-CG 4.3Å; L170-L202 HydrophobicContact CD1-CD2 4.22Å; I176-L202 HydrophobicContact CG2-CD2 4.13Å; A186-L202 HydrophobicContact CB-CD1 4Å; A186-L202 HydrophobicContact CB-CD2 4.29Å; L187-L202 HydrophobicContact CB-CD1 4.23Å; L187-L202 HydrophobicContact CD1-CB 4.31Å; L187-L202 HydrophobicContact CD1-CD1 4.41Å; A190-L202 HydrophobicContact CB-CD1 4.43Å; V198-L202 HydrophobicContact CG1-CD1 3.79Å; V198-L202 HydrophobicContact CG1-CG 4.21Å; V198-L202 WeakPolarHBondContact O-CG 3.3Å; V198-L202 PolarHBondContact O-N 3.04Å; A199-L202 PolarHBondContact O-N 3.33Å; T200-L202 PolarHBondContact O-N 3.1Å; L202-H205 PolarHBondContact O-N 3.09Å; L202-G206 PolarHBondContact O-N 3.09Å; L202-A207 HydrophobicContact CB-CB 4.05Å; L202-A207 WeakPolarHBondContact O-CB 3.42Å; L202-A207 PolarHBondContact O-N 3.03Å |
| 203 | V | 95.7 | Very high | 94.3 | Very high | 17 Ų | 17 | 42.2 Ų | 42.2 | 10% | 0.103 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.6 | -42.1 | 177.8 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | L187 A199 T200 H205 G206 V209 L235 N239 | L187-V203 HydrophobicContact CD1-CG2 4.03Å; L187-V203 HydrophobicContact CD2-CG2 4.07Å; A199-V203 VanDerWaalsContact O-CG2 3.31Å; A199-V203 WeakPolarHBondContact O-CG2 3.29Å; A199-V203 PolarHBondContact O-N 3.13Å; T200-V203 PolarHBondContact O-N 3.23Å; V203-H205 PolarHBondContact O-N 3.47Å; V203-G206 PolarHBondContact O-N 3.49Å; V203-V209 HydrophobicContact CG1-CG1 4.13Å; V203-V209 HydrophobicContact CG2-CG1 3.78Å; V203-L235 HydrophobicContact CB-CD2 4.35Å; V203-L235 HydrophobicContact CG2-CD2 3.87Å; V203-N239 HydrophobicContact CG1-CB 3.98Å |
| 204 | N | 94.1 | Very high | 94.3 | Very high | 113 Ų | 113 | 46 Ų | 46 | 60% | 0.604 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.4 | -29.4 | 175.6 | -73.7 | -18.2 | 0 | 0 | 0 | 113.1 | T200 E201 G206 | T200-N204 WeakPolarHBondContact O-CB 3.27Å; T200-N204 PolarHBondContact O-N 2.94Å; T200-N204 PolarHBondContact O-ND2 3.48Å; E201-N204 PolarHBondContact O-N 3.17Å; N204-G206 VanDerWaalsContact C-N 3.26Å |
| 205 | H | 93.1 | Very high | 94.2 | Very high | 89 Ų | 89 | 48.4 Ų | 48.4 | 41% | 0.412 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.7 | 6.2 | 174.9 | -75.4 | 72.1 | 0 | 0 | 0 | 113.4 | L170 I176 E201 L202 V203 | L170-H205 HydrophobicContact CD1-CB 4.06Å; I176-H205 HydrophobicContact CD1-CB 3.8Å; I176-H205 VanDerWaalsContact CD1-O 3.29Å; I176-H205 WeakPolarHBondContact CD1-O 3.39Å; E201-H205 PolarHBondContact O-N 3.14Å; E201-H205 VanDerWaalsContact O-N 3.13Å; E201-H205 PolarHBondContact O-ND1 2.93Å; E201-H205 IonicContact OE1-CE1 3.68Å; E201-H205 PolarHBondContact OE1-CE1 2.95Å; E201-H205 IonicContact OE1-ND1 3.21Å; L202-H205 PolarHBondContact O-N 3.09Å; V203-H205 PolarHBondContact O-N 3.47Å |
| 206 | G | 92.1 | Very high | 94.1 | Very high | 57 Ų | 57 | 45.9 Ų | 45.9 | 59% | 0.588 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 21.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L202 V203 N204 | L202-G206 PolarHBondContact O-N 3.09Å; V203-G206 PolarHBondContact O-N 3.49Å; N204-G206 VanDerWaalsContact C-N 3.26Å |
| 207 | A | 94.9 | Very high | 94 | Very high | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 26% | 0.255 | C | S | . | . | trans | -58.4 | 138.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I176 L187 L202 V209 | I176-A207 HydrophobicContact CG2-CB 3.66Å; L187-A207 HydrophobicContact CD2-CB 4.1Å; L202-A207 HydrophobicContact CB-CB 4.05Å; L202-A207 WeakPolarHBondContact O-CB 3.42Å; L202-A207 PolarHBondContact O-N 3.03Å; A207-V209 PolarHBondContact O-N 3.26Å; A207-V209 VanDerWaalsContact O-N 3.1Å | ||
| 208 | N | 94.9 | Very high | 94.1 | Very high | 76 Ų | 76 | 41.2 Ų | 41.2 | 41% | 0.406 | 24% | 0.236 | S | C | . | . | trans | -73.8 | 104.6 | -179.8 | -176.1 | -7.5 | 0 | 0 | 0 | 111.9 | D177 N210 Q211 | D177-N208 PolarHBondContact OD1-N 3.15Å; D177-N208 WeakPolarHBondContact OD2-CB 3.48Å; D177-N208 PolarHBondContact OD2-N 3.02Å; N208-N210 PolarHBondContact O-N 3.37Å; N208-N210 PolarHBondContact OD1-N 3.26Å; N208-Q211 HydrophobicContact CB-CB 4.05Å; N208-Q211 PolarHBondContact O-N 2.87Å; N208-Q211 PolarHBondContact OD1-N 3.22Å | ||
| 209 | V | 95.6 | Very high | 94 | Very high | 16 Ų | 16 | 41.1 Ų | 41.1 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -19.3 | -179.2 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | L187 V203 A207 P219 L236 N239 A241 | L187-V209 HydrophobicContact CD2-CG1 4.36Å; V203-V209 HydrophobicContact CG1-CG1 4.13Å; V203-V209 HydrophobicContact CG2-CG1 3.78Å; A207-V209 PolarHBondContact O-N 3.26Å; A207-V209 VanDerWaalsContact O-N 3.1Å; V209-P219 WeakPolarHBondContact O-CD 3.27Å; V209-L236 HydrophobicContact CB-CD2 4.01Å; V209-L236 HydrophobicContact CG1-CD2 3.98Å; V209-N239 HydrophobicContact CG1-CB 4.47Å; V209-A241 HydrophobicContact CG2-CB 4.44Å |
| 210 | N | 95 | Very high | 94.1 | Very high | 52 Ų | 52 | 41.1 Ų | 41.1 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 6.8 | -176.6 | -72.2 | -45.2 | 0 | 0 | 0 | 113.4 | N208 P212 G240 A241 D242 | N208-N210 PolarHBondContact O-N 3.37Å; N208-N210 PolarHBondContact OD1-N 3.26Å; N210-P212 VanDerWaalsContact O-CD 3.27Å; N210-P212 WeakPolarHBondContact O-CD 3.34Å; N210-G240 PolarHBondContact ND2-O 3.43Å; N210-G240 VanDerWaalsContact ND2-O 3.1Å; N210-A241 VanDerWaalsContact OD1-CA 3.31Å; N210-A241 WeakPolarHBondContact OD1-CA 3.39Å; N210-D242 PolarHBondContact OD1-N 3.2Å |
| 211 | Q | 94 | Very high | 94 | Very high | 36 Ų | 36 | 39.2 Ų | 39.2 | 17% | 0.168 | 22% | 0.224 | C | C | . | . | trans | -63.1 | 122.8 | -179 | -174.3 | 171.7 | -4.5 | 0 | 0 | 110.9 | D177 T185 H188 N208 P219 | D177-Q211 PolarHBondContact O-NE2 3.25Å; T185-Q211 VanDerWaalsContact CG2-CD 3.44Å; T185-Q211 HydrophobicContact CG2-CG 4.4Å; T185-Q211 VanDerWaalsContact CG2-OE1 3.27Å; H188-Q211 PolarHBondContact CE1-O 3.38Å; H188-Q211 PolarHBondContact NE2-O 2.93Å; N208-Q211 HydrophobicContact CB-CB 4.05Å; N208-Q211 PolarHBondContact O-N 2.87Å; N208-Q211 PolarHBondContact OD1-N 3.22Å; Q211-P219 WeakPolarHBondContact O-CD 3.48Å | ||
| 212 | P | 93.8 | Very high | 93.8 | Very high | 78 Ų | 78 | 37.8 Ų | 37.8 | 51% | 0.506 | 22% | 0.217 | S | C | . | . | trans | -84.9 | 140.3 | 176.2 | 31.4 | -31.7 | 0 | 0 | 0 | 111.5 | N210 | N210-P212 VanDerWaalsContact O-CD 3.27Å; N210-P212 WeakPolarHBondContact O-CD 3.34Å | ||
| 213 | N | 93.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 37.8 Ų | 37.8 | 8% | 0.075 | 22% | 0.217 | C | C | . | . | trans | -77.4 | -174 | 170.3 | 75.6 | 9.7 | 0 | 0 | 0 | 112.5 | G183 N184 C215 G216 F217 | G183-N213 WeakPolarHBondContact O-CA 3.18Å; G183-N213 VanDerWaalsContact O-CB 3.29Å; G183-N213 WeakPolarHBondContact O-CB 3.49Å; N184-N213 WeakPolarHBondContact OD1-CB 3.12Å; N184-N213 PolarHBondContact OD1-ND2 2.94Å; N213-C215 PolarHBondContact O-N 3.23Å; N213-C215 VanDerWaalsContact O-N 3.12Å; N213-C215 WeakPolarHBondContact OD1-CA 3.4Å; N213-C215 WeakPolarHBondContact OD1-CB 3.4Å; N213-C215 PolarHBondContact OD1-N 3.43Å; N213-G216 PolarHBondContact O-N 3.32Å; N213-G216 PolarHBondContact OD1-N 3.25Å; N213-G216 VanDerWaalsContact OD1-N 3.15Å; N213-F217 PolarHBondContact N-O 2.92Å; N213-F217 PolarHBondContact OD1-N 3.27Å | ||
| 214 | K | 91.3 | Very high | 93.6 | Very high | 125 Ų | 125 | 37 Ų | 37 | 54% | 0.543 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -23.6 | -179.1 | -70.2 | -178.5 | -178.6 | -177.8 | 0 | 113.9 | G181 F182 K248 | G181-K214 VanDerWaalsContact O-CE 3.29Å; G181-K214 WeakPolarHBondContact O-CE 3.48Å; G181-K214 PolarHBondContact O-NZ 3.37Å; F182-K214 VanDerWaalsContact O-CB 3.28Å; F182-K214 WeakPolarHBondContact O-CB 3.35Å; F182-K214 WeakPolarHBondContact O-CG 3.38Å; F182-K214 PolarHBondContact O-N 3.45Å; F182-K214 VanDerWaalsContact O-N 3.13Å; K214-K248 WeakPolarHBondContact O-CD 3.49Å; K214-K248 WeakPolarHBondContact O-CE 3.15Å; K214-K248 PolarHBondContact O-NZ 3.12Å |
| 215 | C | 88 | Confident | 93.4 | Very high | 68 Ų | 68 | 32.2 Ų | 32.2 | 46% | 0.459 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 1.2 | 176 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | N213 F217 K248 | N213-C215 PolarHBondContact O-N 3.23Å; N213-C215 VanDerWaalsContact O-N 3.12Å; N213-C215 WeakPolarHBondContact OD1-CA 3.4Å; N213-C215 WeakPolarHBondContact OD1-CB 3.4Å; N213-C215 PolarHBondContact OD1-N 3.43Å; C215-F217 VanDerWaalsContact C-N 3.32Å; C215-F217 HydrophobicContact CB-CD2 3.59Å; C215-F217 HydrophobicContact CB-CE2 3.59Å; C215-F217 HydrophobicContact CB-CG 4.49Å; C215-F217 HydrophobicContact CB-CZ 4.47Å; C215-K248 WeakPolarHBondContact O-CB 3.26Å; C215-K248 WeakPolarHBondContact O-CG 3.45Å; C215-K248 PolarHBondContact O-N 3.4Å |
| 216 | G | 91.2 | Very high | 93.1 | Very high | 9 Ų | 9 | 28.2 Ų | 28.2 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | S | Bend | trans | 80.3 | 8.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | N213 S247 | N213-G216 PolarHBondContact O-N 3.32Å; N213-G216 PolarHBondContact OD1-N 3.25Å; N213-G216 VanDerWaalsContact OD1-N 3.15Å; G216-S247 WeakPolarHBondContact O-CA 3.42Å |
| 217 | F | 93.9 | Very high | 92.7 | Very high | 33 Ų | 33 | 29.9 Ų | 29.9 | 15% | 0.145 | 17% | 0.168 | C | C | . | . | trans | -79 | 131.1 | 175.4 | -60.6 | -53.8 | 0 | 0 | 0 | 110.3 | H188 N213 C215 H221 M256 | H188-F217 PolarHBondContact NE2-O 3.45Å; H188-F217 VanDerWaalsContact NE2-O 3.17Å; N213-F217 PolarHBondContact N-O 2.92Å; N213-F217 PolarHBondContact OD1-N 3.27Å; C215-F217 VanDerWaalsContact C-N 3.32Å; C215-F217 HydrophobicContact CB-CD2 3.59Å; C215-F217 HydrophobicContact CB-CE2 3.59Å; C215-F217 HydrophobicContact CB-CG 4.49Å; C215-F217 HydrophobicContact CB-CZ 4.47Å; F217-H221 HydrophobicContact CB-CB 3.96Å; F217-H221 HydrophobicContact CD1-CB 3.92Å; F217-H221 AromaticContact CD1-CD2 3.74Å; F217-H221 AromaticContact CD1-CG 3.9Å; F217-H221 HydrophobicContact CG-CB 4.31Å; F217-M256 HydrophobicContact CD1-CE 4.2Å; F217-M256 HydrophobicContact CE1-CE 3.28Å; F217-M256 HydrophobicContact CE1-SD 4.04Å; F217-M256 HydrophobicContact CZ-CE 3.83Å; F217-M256 HydrophobicContact CZ-SD 4.48Å | ||
| 218 | T | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -86.2 | 167.6 | 168.8 | 66.1 | 0 | 0 | 0 | 0 | 110.6 | L220 H221 L222 Q245 | T218-L220 PolarHBondContact O-N 3.37Å; T218-L220 VanDerWaalsContact O-N 3.13Å; T218-L220 PolarHBondContact OG1-N 2.99Å; T218-H221 PolarHBondContact N-ND1 3.14Å; T218-H221 VanDerWaalsContact N-ND1 3.16Å; T218-H221 WeakPolarHBondContact O-CB 3.15Å; T218-H221 PolarHBondContact O-N 3.43Å; T218-H221 PolarHBondContact OG1-ND1 3.5Å; T218-L222 PolarHBondContact O-N 3.29Å; T218-Q245 HydrophobicContact CG2-CB 4.4Å; T218-Q245 HydrophobicContact CG2-CG 3.74Å | ||
| 219 | P | 95.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -52.8 | -32.9 | 171.8 | -27 | 35.2 | 0 | 0 | 0 | 113.1 | L187 H188 C191 V209 Q211 L222 A223 L236 | L187-P219 HydrophobicContact CD2-CB 4.27Å; L187-P219 HydrophobicContact CD2-CG 3.96Å; L187-P219 HydrophobicContact CG-CB 4.03Å; L187-P219 HydrophobicContact CG-CG 4.02Å; H188-P219 WeakPolarHBondContact NE2-CD 3.36Å; C191-P219 HydrophobicContact CB-CB 4.4Å; V209-P219 WeakPolarHBondContact O-CD 3.27Å; Q211-P219 WeakPolarHBondContact O-CD 3.48Å; P219-L222 PolarHBondContact O-N 3.26Å; P219-A223 PolarHBondContact O-N 3Å; P219-L236 HydrophobicContact CB-CD1 3.85Å; P219-L236 HydrophobicContact CB-CD2 4.2Å |
| 220 | L | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 177.9 | -171.6 | 66.7 | 0 | 0 | 0 | 112.5 | T218 L222 A223 A224 L233 L236 V237 A241 D242 V243 P253 L269 | T218-L220 PolarHBondContact O-N 3.37Å; T218-L220 VanDerWaalsContact O-N 3.13Å; T218-L220 PolarHBondContact OG1-N 2.99Å; L220-L222 VanDerWaalsContact C-N 3.3Å; L220-L222 PolarHBondContact O-N 2.97Å; L220-A223 PolarHBondContact O-N 3.21Å; L220-A224 WeakPolarHBondContact O-CB 3.37Å; L220-A224 PolarHBondContact O-N 3.47Å; L220-L233 HydrophobicContact CD1-CD1 4.42Å; L220-L233 HydrophobicContact CD1-CG 3.76Å; L220-L236 HydrophobicContact CB-CD1 4.2Å; L220-L236 HydrophobicContact CD1-CB 4Å; L220-L236 HydrophobicContact CD1-CD1 4.23Å; L220-V237 HydrophobicContact CD1-CG2 3.8Å; L220-V237 HydrophobicContact CD2-CG2 4.46Å; L220-A241 HydrophobicContact CB-CB 4.44Å; L220-A241 HydrophobicContact CD2-CB 4.13Å; L220-D242 WeakPolarHBondContact CD2-O 2.98Å; L220-V243 HydrophobicContact CD2-CB 4.45Å; L220-V243 HydrophobicContact CD2-CG1 4.14Å; L220-P253 HydrophobicContact CD2-CB 4.36Å; L220-P253 HydrophobicContact CD2-CG 3.93Å; L220-P253 HydrophobicContact CG-CB 4.25Å; L220-P253 HydrophobicContact CG-CG 4.14Å; L220-L269 HydrophobicContact CD1-CD2 4.41Å; L220-L269 HydrophobicContact CD2-CD2 4.18Å; L220-L269 HydrophobicContact CG-CD2 4.4Å |
| 221 | H | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 174.4 | -70.2 | 82.6 | 0 | 0 | 0 | 111.5 | F217 T218 A224 V225 Q245 K251 M256 | F217-H221 HydrophobicContact CB-CB 3.96Å; F217-H221 HydrophobicContact CD1-CB 3.92Å; F217-H221 AromaticContact CD1-CD2 3.74Å; F217-H221 AromaticContact CD1-CG 3.9Å; F217-H221 HydrophobicContact CG-CB 4.31Å; T218-H221 PolarHBondContact N-ND1 3.14Å; T218-H221 VanDerWaalsContact N-ND1 3.16Å; T218-H221 WeakPolarHBondContact O-CB 3.15Å; T218-H221 PolarHBondContact O-N 3.43Å; T218-H221 PolarHBondContact OG1-ND1 3.5Å; H221-A224 WeakPolarHBondContact O-CB 3.47Å; H221-A224 PolarHBondContact O-N 3.41Å; H221-V225 WeakPolarHBondContact O-CG2 3.24Å; H221-V225 PolarHBondContact O-N 3.25Å; H221-Q245 PolarHBondContact CE1-O 3.47Å; H221-Q245 PolarHBondContact NE2-O 3.24Å; H221-Q245 VanDerWaalsContact NE2-O 3.12Å; H221-K251 PolarHBondContact NE2-O 3.21Å; H221-K251 VanDerWaalsContact NE2-O 3.13Å; H221-M256 HydrophobicContact CB-CG 4.27Å |
| 222 | L | 92.8 | Very high | 91.3 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.01 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -72.6 | -36.7 | -180 | -60.2 | -173.7 | 0 | 0 | 0 | 112.1 | H188 Y192 T218 P219 L220 A224 V225 S226 V1013 | H188-L222 HydrophobicContact CB-CD1 3.65Å; H188-L222 WeakPolarHBondContact O-CD1 3.37Å; Y192-L222 HydrophobicContact CD2-CB 4.42Å; Y192-L222 HydrophobicContact CD2-CD2 4.45Å; T218-L222 PolarHBondContact O-N 3.29Å; P219-L222 PolarHBondContact O-N 3.26Å; L220-L222 VanDerWaalsContact C-N 3.3Å; L220-L222 PolarHBondContact O-N 2.97Å; L222-A224 VanDerWaalsContact C-N 3.28Å; L222-A224 PolarHBondContact O-N 2.93Å; L222-V225 PolarHBondContact O-N 3.49Å; L222-S226 PolarHBondContact O-N 3.43Å; L222-V1013 HydrophobicContact CD2-CG1 3.59Å; L222-V1013 HydrophobicContact CD2-CG2 4.18Å |
| 223 | A | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -37.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.5 | C191 P219 L220 V225 S226 C232 L233 L236 R265 | C191-A223 HydrophobicContact CB-CB 4.15Å; P219-A223 PolarHBondContact O-N 3Å; L220-A223 PolarHBondContact O-N 3.21Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 3.32Å; A223-S226 PolarHBondContact O-N 3.13Å; A223-C232 HydrophobicContact CB-CB 4.33Å; A223-L233 HydrophobicContact CB-CB 3.92Å; A223-L236 HydrophobicContact CB-CD1 4.19Å; A223-R265 WeakPolarHBondContact O-CD 3.15Å; A223-R265 PolarHBondContact O-NE 2.91Å |
| 224 | A | 92.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -63.6 | -34.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L220 H221 L222 L233 P253 M256 A257 R262 R265 L269 | L220-A224 WeakPolarHBondContact O-CB 3.37Å; L220-A224 PolarHBondContact O-N 3.47Å; H221-A224 WeakPolarHBondContact O-CB 3.47Å; H221-A224 PolarHBondContact O-N 3.41Å; L222-A224 VanDerWaalsContact C-N 3.28Å; L222-A224 PolarHBondContact O-N 2.93Å; A224-L233 HydrophobicContact CB-CD1 4.14Å; A224-P253 HydrophobicContact CB-CB 4.35Å; A224-P253 WeakPolarHBondContact CB-O 3.41Å; A224-M256 HydrophobicContact CB-CB 4.05Å; A224-A257 HydrophobicContact CB-CB 4.38Å; A224-R262 WeakPolarHBondContact O-CG 3.29Å; A224-R265 WeakPolarHBondContact O-CD 3.48Å; A224-L269 HydrophobicContact CB-CD1 4.48Å |
| 225 | V | 90.4 | Very high | 91.5 | Very high | 13 Ų | 13 | 26.7 Ų | 26.7 | 8% | 0.079 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -77.5 | -40.3 | 177.3 | 170.7 | 0 | 0 | 0 | 0 | 112.9 | Y192 H221 L222 A223 M256 H260 R262 | Y192-V225 HydrophobicContact CE2-CG1 4.15Å; H221-V225 WeakPolarHBondContact O-CG2 3.24Å; H221-V225 PolarHBondContact O-N 3.25Å; L222-V225 PolarHBondContact O-N 3.49Å; A223-V225 VanDerWaalsContact C-N 3.33Å; A223-V225 PolarHBondContact O-N 3.32Å; V225-M256 HydrophobicContact CG2-CB 3.81Å; V225-M256 HydrophobicContact CG2-CG 4.25Å; V225-M256 HydrophobicContact CG2-SD 3.98Å; V225-H260 WeakPolarHBondContact CG1-NE2 3.33Å; V225-R262 PolarHBondContact O-NE 3.31Å |
| 226 | S | 87.9 | Confident | 91.9 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 4% | 0.035 | 13% | 0.131 | C | C | . | . | trans | -47.2 | 152.5 | -170.3 | -177.1 | 0 | 0 | 0 | 0 | 113.7 | Y192 L222 A223 N228 G229 R262 R265 | Y192-S226 WeakPolarHBondContact O-CB 3.2Å; Y192-S226 PolarHBondContact O-OG 3.14Å; L222-S226 PolarHBondContact O-N 3.43Å; A223-S226 PolarHBondContact O-N 3.13Å; S226-N228 PolarHBondContact OG-N 3.48Å; S226-G229 PolarHBondContact OG-N 2.65Å; S226-R262 PolarHBondContact O-NE 3.21Å; S226-R265 PolarHBondContact O-NH1 3.15Å; S226-R265 PolarHBondContact O-NH2 2.96Å | ||
| 227 | T | 83.4 | Confident | 92.1 | Very high | 93 Ų | 93 | 23.9 Ų | 23.9 | 57% | 0.571 | 13% | 0.132 | S | C | * | . | S | Bend | trans | -71.8 | -45.9 | 169 | 46.2 | 0 | 0 | 0 | 0 | 110.9 | R262 R265 | T227-R262 VanDerWaalsContact CG2-NH2 3.29Å; T227-R265 PolarHBondContact O-NH2 2.75Å |
| 228 | N | 83.9 | Confident | 92.1 | Very high | 121 Ų | 121 | 28.3 Ų | 28.3 | 65% | 0.647 | 16% | 0.157 | S | C | * | . | S | Bend | trans | -108.9 | -4.5 | -171.6 | -64.3 | -17 | 0 | 0 | 0 | 114.6 | S226 A230 | S226-N228 PolarHBondContact OG-N 3.48Å; N228-A230 PolarHBondContact O-N 3.02Å |
| 229 | G | 84.3 | Confident | 92 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 29.8 | -178 | 0 | 0 | 0 | 0 | 0 | 117 | S226 L233 | S226-G229 PolarHBondContact OG-N 2.65Å; G229-L233 WeakPolarHBondContact O-CB 3.33Å; G229-L233 PolarHBondContact O-N 3.38Å |
| 230 | A | 90 | Very high | 91.8 | Very high | 28 Ų | 28 | 34.8 Ų | 34.8 | 23% | 0.231 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.8 | -46.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.1 | N228 C232 L233 E234 R265 | N228-A230 PolarHBondContact O-N 3.02Å; A230-C232 PolarHBondContact O-N 3.29Å; A230-L233 WeakPolarHBondContact O-CB 3.3Å; A230-L233 PolarHBondContact O-N 3.2Å; A230-L233 VanDerWaalsContact O-N 3.11Å; A230-E234 PolarHBondContact O-N 2.98Å; A230-R265 VanDerWaalsContact N-NH2 3.12Å |
| 231 | L | 92.6 | Very high | 91.8 | Very high | 88 Ų | 88 | 35.2 Ų | 35.2 | 46% | 0.461 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -66.5 | -37.2 | 175.9 | -60.3 | 172.2 | 0 | 0 | 0 | 111.8 | E196 L233 E234 L235 | E196-L231 HydrophobicContact CB-CB 4.19Å; E196-L231 HydrophobicContact CG-CB 3.83Å; E196-L231 WeakPolarHBondContact OE2-CB 3.48Å; E196-L231 WeakPolarHBondContact OE2-CD1 3.41Å; L231-L233 VanDerWaalsContact C-N 3.26Å; L231-L233 PolarHBondContact O-N 3.43Å; L231-E234 PolarHBondContact O-N 2.8Å; L231-L235 WeakPolarHBondContact O-CB 3.37Å; L231-L235 PolarHBondContact O-N 3.44Å |
| 232 | C | 93.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.6 | -38.4 | 171.4 | -59.1 | 0 | 0 | 0 | 0 | 112 | E196 A223 A230 L236 | E196-C232 WeakPolarHBondContact CA-SG 3.44Å; E196-C232 PolarHBondContact N-SG 3.03Å; E196-C232 VanDerWaalsContact N-SG 3.43Å; A223-C232 HydrophobicContact CB-CB 4.33Å; A230-C232 PolarHBondContact O-N 3.29Å; C232-L236 WeakPolarHBondContact O-CB 3.39Å; C232-L236 WeakPolarHBondContact O-CG 3.34Å; C232-L236 PolarHBondContact O-N 2.94Å |
| 233 | L | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -48.6 | 178 | -174.2 | 150.1 | 0 | 0 | 0 | 110.8 | L220 A223 A224 G229 A230 L231 L235 L236 V237 R265 I268 L269 | L220-L233 HydrophobicContact CD1-CD1 4.42Å; L220-L233 HydrophobicContact CD1-CG 3.76Å; A223-L233 HydrophobicContact CB-CB 3.92Å; A224-L233 HydrophobicContact CB-CD1 4.14Å; G229-L233 WeakPolarHBondContact O-CB 3.33Å; G229-L233 PolarHBondContact O-N 3.38Å; A230-L233 WeakPolarHBondContact O-CB 3.3Å; A230-L233 PolarHBondContact O-N 3.2Å; A230-L233 VanDerWaalsContact O-N 3.11Å; L231-L233 VanDerWaalsContact C-N 3.26Å; L231-L233 PolarHBondContact O-N 3.43Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.43Å; L233-L236 PolarHBondContact O-N 3.17Å; L233-V237 HydrophobicContact CD2-CG2 4.17Å; L233-V237 WeakPolarHBondContact O-CG2 3.31Å; L233-V237 PolarHBondContact O-N 2.98Å; L233-R265 HydrophobicContact CD1-CB 3.83Å; L233-R265 HydrophobicContact CD1-CG 3.97Å; L233-I268 HydrophobicContact CD2-CB 3.89Å; L233-I268 HydrophobicContact CD2-CD1 4.45Å; L233-I268 HydrophobicContact CD2-CG2 3.38Å; L233-L269 HydrophobicContact CD1-CD1 4.34Å; L233-L269 HydrophobicContact CD1-CD2 4.32Å; L233-L269 HydrophobicContact CD1-CG 4.22Å; L233-L269 HydrophobicContact CD2-CD2 4.28Å; L233-L269 HydrophobicContact CD2-CG 4.35Å |
| 234 | E | 94 | Very high | 91.9 | Very high | 78 Ų | 78 | 41.2 Ų | 41.2 | 36% | 0.364 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 175.9 | -69.1 | 178.4 | -169.7 | 0 | 0 | 111.8 | A230 L231 L236 V237 N238 I268 | A230-E234 PolarHBondContact O-N 2.98Å; L231-E234 PolarHBondContact O-N 2.8Å; E234-L236 PolarHBondContact O-N 3.43Å; E234-V237 PolarHBondContact O-N 2.82Å; E234-N238 WeakPolarHBondContact O-CB 3.37Å; E234-N238 PolarHBondContact O-N 3Å; E234-N238 PolarHBondContact O-ND2 2.84Å; E234-I268 HydrophobicContact CG-CD1 3.79Å; E234-I268 HydrophobicContact CG-CG1 4.44Å; E234-I268 HydrophobicContact CG-CG2 4.14Å; E234-I268 WeakPolarHBondContact OE1-CD1 3.38Å |
| 235 | L | 95.2 | Very high | 92 | Very high | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -46.6 | 177 | -179.9 | 137.2 | 0 | 0 | 0 | 112.1 | A199 T200 V203 L231 L233 N238 N239 | A199-L235 HydrophobicContact CB-CD2 4.49Å; T200-L235 HydrophobicContact CG2-CD1 3.93Å; T200-L235 WeakPolarHBondContact OG1-CD1 3.45Å; V203-L235 HydrophobicContact CB-CD2 4.35Å; V203-L235 HydrophobicContact CG2-CD2 3.87Å; L231-L235 WeakPolarHBondContact O-CB 3.37Å; L231-L235 PolarHBondContact O-N 3.44Å; L233-L235 VanDerWaalsContact C-N 3.32Å; L233-L235 PolarHBondContact O-N 3.43Å; L235-N238 PolarHBondContact O-N 2.75Å; L235-N239 PolarHBondContact O-N 2.88Å; L235-N239 VanDerWaalsContact O-N 3.14Å; L235-N239 PolarHBondContact O-ND2 3.22Å |
| 236 | L | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 179.8 | -73.1 | 172.6 | 0 | 0 | 0 | 111.4 | L187 V209 P219 L220 A223 C232 L233 E234 N238 N239 G240 A241 | L187-L236 HydrophobicContact CD2-CD2 4.14Å; V209-L236 HydrophobicContact CB-CD2 4.01Å; V209-L236 HydrophobicContact CG1-CD2 3.98Å; P219-L236 HydrophobicContact CB-CD1 3.85Å; P219-L236 HydrophobicContact CB-CD2 4.2Å; L220-L236 HydrophobicContact CB-CD1 4.2Å; L220-L236 HydrophobicContact CD1-CB 4Å; L220-L236 HydrophobicContact CD1-CD1 4.23Å; A223-L236 HydrophobicContact CB-CD1 4.19Å; C232-L236 WeakPolarHBondContact O-CB 3.39Å; C232-L236 WeakPolarHBondContact O-CG 3.34Å; C232-L236 PolarHBondContact O-N 2.94Å; L233-L236 PolarHBondContact O-N 3.17Å; E234-L236 PolarHBondContact O-N 3.43Å; L236-N238 PolarHBondContact O-N 2.94Å; L236-N239 CarbonylContact O-C 3.6Å; L236-N239 PolarHBondContact O-N 3.5Å; L236-N239 VanDerWaalsContact O-N 3.12Å; L236-G240 PolarHBondContact O-N 2.96Å; L236-A241 VanDerWaalsContact C-CB 3.47Å; L236-A241 HydrophobicContact CB-CB 3.85Å; L236-A241 WeakPolarHBondContact O-CB 3.18Å; L236-A241 PolarHBondContact O-N 3.18Å |
| 237 | V | 94.9 | Very high | 92.4 | Very high | 19 Ų | 19 | 48.1 Ų | 48.1 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61 | -44.8 | 178.8 | 174.1 | 0 | 0 | 0 | 0 | 111 | L220 L233 E234 N239 G240 V243 N272 | L220-V237 HydrophobicContact CD1-CG2 3.8Å; L220-V237 HydrophobicContact CD2-CG2 4.46Å; L233-V237 HydrophobicContact CD2-CG2 4.17Å; L233-V237 WeakPolarHBondContact O-CG2 3.31Å; L233-V237 PolarHBondContact O-N 2.98Å; E234-V237 PolarHBondContact O-N 2.82Å; V237-N239 PolarHBondContact O-N 3.3Å; V237-G240 PolarHBondContact O-N 2.91Å; V237-G240 VanDerWaalsContact O-N 3.11Å; V237-V243 HydrophobicContact CG1-CG1 4.27Å; V237-V243 HydrophobicContact CG2-CG1 3.87Å; V237-N272 HydrophobicContact CG1-CB 3.54Å; V237-N272 VanDerWaalsContact CG1-CG 3.41Å |
| 238 | N | 93.8 | Very high | 92.8 | Very high | 126 Ų | 126 | 50.5 Ų | 50.5 | 67% | 0.674 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -63.8 | -23.6 | 177.2 | -71.2 | -23.9 | 0 | 0 | 0 | 113.4 | E234 L235 L236 | E234-N238 WeakPolarHBondContact O-CB 3.37Å; E234-N238 PolarHBondContact O-N 3Å; E234-N238 PolarHBondContact O-ND2 2.84Å; L235-N238 PolarHBondContact O-N 2.75Å; L236-N238 PolarHBondContact O-N 2.94Å |
| 239 | N | 93.9 | Very high | 93 | Very high | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 22.1 | 177.3 | -73.9 | -84.5 | 0 | 0 | 0 | 113.1 | V203 V209 L235 L236 V237 | V203-N239 HydrophobicContact CG1-CB 3.98Å; V209-N239 HydrophobicContact CG1-CB 4.47Å; L235-N239 PolarHBondContact O-N 2.88Å; L235-N239 VanDerWaalsContact O-N 3.14Å; L235-N239 PolarHBondContact O-ND2 3.22Å; L236-N239 CarbonylContact O-C 3.6Å; L236-N239 PolarHBondContact O-N 3.5Å; L236-N239 VanDerWaalsContact O-N 3.12Å; V237-N239 PolarHBondContact O-N 3.3Å |
| 240 | G | 91 | Very high | 93.4 | Very high | 52 Ų | 52 | 48.4 Ų | 48.4 | 54% | 0.536 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 26.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | N210 L236 V237 | N210-G240 PolarHBondContact ND2-O 3.43Å; N210-G240 VanDerWaalsContact ND2-O 3.1Å; L236-G240 PolarHBondContact O-N 2.96Å; V237-G240 PolarHBondContact O-N 2.91Å; V237-G240 VanDerWaalsContact O-N 3.11Å |
| 241 | A | 94.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 48.3 Ų | 48.3 | 7% | 0.074 | 26% | 0.257 | C | S | . | . | trans | -65.9 | 133.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V209 N210 L220 L236 V243 | V209-A241 HydrophobicContact CG2-CB 4.44Å; N210-A241 VanDerWaalsContact OD1-CA 3.31Å; N210-A241 WeakPolarHBondContact OD1-CA 3.39Å; L220-A241 HydrophobicContact CB-CB 4.44Å; L220-A241 HydrophobicContact CD2-CB 4.13Å; L236-A241 VanDerWaalsContact C-CB 3.47Å; L236-A241 HydrophobicContact CB-CB 3.85Å; L236-A241 WeakPolarHBondContact O-CB 3.18Å; L236-A241 PolarHBondContact O-N 3.18Å; A241-V243 PolarHBondContact O-N 3.16Å | ||
| 242 | D | 94.4 | Very high | 93.6 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 37% | 0.369 | 24% | 0.236 | S | C | . | . | trans | -73.8 | 109.7 | 177.4 | -177.3 | -3.8 | 0 | 0 | 0 | 110.3 | N210 L220 N244 Q245 | N210-D242 PolarHBondContact OD1-N 3.2Å; L220-D242 WeakPolarHBondContact CD2-O 2.98Å; D242-N244 PolarHBondContact O-N 3.01Å; D242-N244 PolarHBondContact OD1-N 3.17Å; D242-Q245 HydrophobicContact CB-CB 4.05Å; D242-Q245 PolarHBondContact OD1-N 3.17Å | ||
| 243 | V | 95.1 | Very high | 93.7 | Very high | 13 Ų | 13 | 44.2 Ų | 44.2 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -17.3 | -180 | -64 | 0 | 0 | 0 | 0 | 113.7 | L220 V237 A241 P253 L269 N272 | L220-V243 HydrophobicContact CD2-CB 4.45Å; L220-V243 HydrophobicContact CD2-CG1 4.14Å; V237-V243 HydrophobicContact CG1-CG1 4.27Å; V237-V243 HydrophobicContact CG2-CG1 3.87Å; A241-V243 PolarHBondContact O-N 3.16Å; V243-P253 WeakPolarHBondContact O-CD 3.49Å; V243-L269 HydrophobicContact CB-CD2 4.33Å; V243-L269 HydrophobicContact CG1-CD2 4.14Å; V243-N272 HydrophobicContact CG1-CB 4.39Å |
| 244 | N | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 44.4 Ų | 44.4 | 25% | 0.246 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -4.4 | -176.2 | -66.4 | -42 | 0 | 0 | 0 | 113.3 | D242 Q246 G273 G274 E275 | D242-N244 PolarHBondContact O-N 3.01Å; D242-N244 PolarHBondContact OD1-N 3.17Å; N244-Q246 PolarHBondContact O-N 3.01Å; N244-G273 PolarHBondContact ND2-O 3.28Å; N244-G274 WeakPolarHBondContact OD1-CA 3.49Å; N244-E275 PolarHBondContact OD1-N 2.88Å |
| 245 | Q | 93.8 | Very high | 93.8 | Very high | 81 Ų | 81 | 40.7 Ų | 40.7 | 38% | 0.379 | 22% | 0.22 | S | C | . | . | trans | -54 | 125.2 | 176.2 | 179.7 | 60 | 72.8 | 0 | 0 | 110.3 | T218 H221 D242 P253 | T218-Q245 HydrophobicContact CG2-CB 4.4Å; T218-Q245 HydrophobicContact CG2-CG 3.74Å; H221-Q245 PolarHBondContact CE1-O 3.47Å; H221-Q245 PolarHBondContact NE2-O 3.24Å; H221-Q245 VanDerWaalsContact NE2-O 3.12Å; D242-Q245 HydrophobicContact CB-CB 4.05Å; D242-Q245 PolarHBondContact OD1-N 3.17Å; Q245-P253 WeakPolarHBondContact O-CD 3.49Å | ||
| 246 | Q | 94.1 | Very high | 93.7 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 35% | 0.346 | 22% | 0.218 | S | C | . | . | trans | -96.6 | 143.2 | 178.2 | -64.3 | -171.1 | -18.3 | 0 | 0 | 111.8 | N244 G250 V279 | N244-Q246 PolarHBondContact O-N 3.01Å; Q246-G250 WeakPolarHBondContact CG-O 3.43Å; Q246-G250 PolarHBondContact NE2-O 3.06Å; Q246-G250 PolarHBondContact OE1-O 3.4Å; Q246-V279 PolarHBondContact NE2-O 3.08Å; Q246-V279 VanDerWaalsContact NE2-O 3.12Å | ||
| 247 | S | 93.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 6% | 0.056 | 22% | 0.218 | C | C | . | . | trans | -66.7 | 175.7 | 166.9 | 63.6 | 0 | 0 | 0 | 0 | 112.9 | G216 E249 G250 K251 | G216-S247 WeakPolarHBondContact O-CA 3.42Å; S247-E249 PolarHBondContact O-N 2.91Å; S247-E249 VanDerWaalsContact O-N 3.16Å; S247-G250 PolarHBondContact O-N 2.85Å; S247-K251 PolarHBondContact N-O 3.45Å; S247-K251 WeakPolarHBondContact OG-CB 3.5Å; S247-K251 PolarHBondContact OG-N 2.92Å; S247-K251 VanDerWaalsContact OG-N 3.16Å; S247-K251 PolarHBondContact OG-O 3.21Å | ||
| 248 | K | 91.2 | Very high | 93.4 | Very high | 144 Ų | 144 | 39.4 Ų | 39.4 | 63% | 0.626 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -23.8 | 177.5 | -71.2 | -176.2 | 176.2 | 180 | 0 | 114.1 | K214 C215 G250 | K214-K248 WeakPolarHBondContact O-CD 3.49Å; K214-K248 WeakPolarHBondContact O-CE 3.15Å; K214-K248 PolarHBondContact O-NZ 3.12Å; C215-K248 WeakPolarHBondContact O-CB 3.26Å; C215-K248 WeakPolarHBondContact O-CG 3.45Å; C215-K248 PolarHBondContact O-N 3.4Å; K248-G250 VanDerWaalsContact C-N 3.3Å |
| 249 | E | 88.4 | Confident | 93.3 | Very high | 68 Ų | 68 | 34.6 Ų | 34.6 | 32% | 0.318 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 15.7 | 173.8 | -56.5 | -55.4 | 156.7 | 0 | 0 | 112.5 | S247 K251 K281 | S247-E249 PolarHBondContact O-N 2.91Å; S247-E249 VanDerWaalsContact O-N 3.16Å; E249-K251 HydrophobicContact CB-CG 4.39Å; E249-K251 PolarHBondContact O-N 3.15Å; E249-K251 VanDerWaalsContact O-N 3.17Å; E249-K281 WeakPolarHBondContact O-CB 3.26Å; E249-K281 PolarHBondContact O-N 3.41Å; E249-K281 IonicContact OE1-NZ 2.67Å; E249-K281 WeakPolarHBondContact OE2-CD 3.43Å; E249-K281 IonicContact OE2-NZ 2.83Å; E249-K281 PolarHBondContact OE2-NZ 3.07Å |
| 250 | G | 92 | Very high | 93 | Very high | 9 Ų | 9 | 34.4 Ų | 34.4 | 9% | 0.093 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 72.9 | 0.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q246 S247 K248 S252 | Q246-G250 WeakPolarHBondContact CG-O 3.43Å; Q246-G250 PolarHBondContact NE2-O 3.06Å; Q246-G250 PolarHBondContact OE1-O 3.4Å; S247-G250 PolarHBondContact O-N 2.85Å; K248-G250 VanDerWaalsContact C-N 3.3Å; G250-S252 PolarHBondContact O-N 3.45Å |
| 251 | K | 93.4 | Very high | 92.9 | Very high | 26 Ų | 26 | 33.1 Ų | 33.1 | 11% | 0.113 | 17% | 0.169 | C | C | . | . | trans | -74.5 | 125.8 | -178.5 | -57.3 | -179.4 | -179.6 | 178.8 | 0 | 110.2 | H221 S247 E249 H255 M256 I259 D280 | H221-K251 PolarHBondContact NE2-O 3.21Å; H221-K251 VanDerWaalsContact NE2-O 3.13Å; S247-K251 PolarHBondContact N-O 3.45Å; S247-K251 WeakPolarHBondContact OG-CB 3.5Å; S247-K251 PolarHBondContact OG-N 2.92Å; S247-K251 VanDerWaalsContact OG-N 3.16Å; S247-K251 PolarHBondContact OG-O 3.21Å; E249-K251 HydrophobicContact CB-CG 4.39Å; E249-K251 PolarHBondContact O-N 3.15Å; E249-K251 VanDerWaalsContact O-N 3.17Å; K251-H255 HydrophobicContact CB-CB 4.01Å; K251-M256 HydrophobicContact CB-CE 3.38Å; K251-M256 HydrophobicContact CD-CE 3.38Å; K251-M256 HydrophobicContact CG-CE 3.99Å; K251-I259 HydrophobicContact CD-CD1 4.39Å; K251-D280 HydrophobicContact CG-CB 4.05Å | ||
| 252 | S | 95.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | trans | -83.8 | 169.4 | 171.4 | 71.4 | 0 | 0 | 0 | 0 | 111.9 | G250 L254 H255 M256 C278 | G250-S252 PolarHBondContact O-N 3.45Å; S252-L254 PolarHBondContact O-N 2.99Å; S252-L254 PolarHBondContact OG-N 3.4Å; S252-H255 PolarHBondContact N-ND1 3.43Å; S252-H255 WeakPolarHBondContact O-CB 3.42Å; S252-H255 PolarHBondContact O-N 3.42Å; S252-H255 VanDerWaalsContact O-N 3.08Å; S252-H255 PolarHBondContact OG-N 3.08Å; S252-H255 PolarHBondContact OG-ND1 2.83Å; S252-M256 PolarHBondContact O-N 3.27Å; S252-M256 VanDerWaalsContact O-N 3.13Å; S252-C278 PolarHBondContact OG-SG 3.4Å | ||
| 253 | P | 95 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -55.8 | -32.7 | 171.5 | -26.1 | 35.2 | 0 | 0 | 0 | 113.1 | L220 A224 V243 Q245 M256 A257 L269 | L220-P253 HydrophobicContact CD2-CB 4.36Å; L220-P253 HydrophobicContact CD2-CG 3.93Å; L220-P253 HydrophobicContact CG-CB 4.25Å; L220-P253 HydrophobicContact CG-CG 4.14Å; A224-P253 HydrophobicContact CB-CB 4.35Å; A224-P253 WeakPolarHBondContact CB-O 3.41Å; V243-P253 WeakPolarHBondContact O-CD 3.49Å; Q245-P253 WeakPolarHBondContact O-CD 3.49Å; P253-M256 WeakPolarHBondContact O-CB 3.42Å; P253-M256 PolarHBondContact O-N 3.29Å; P253-A257 PolarHBondContact O-N 3.17Å; P253-L269 HydrophobicContact CB-CD1 3.84Å; P253-L269 HydrophobicContact CB-CD2 4.01Å |
| 254 | L | 95.3 | Very high | 92 | Very high | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -68.7 | -37.7 | 176.6 | -171.3 | 58.8 | 0 | 0 | 0 | 111.9 | S252 M256 A257 A258 L269 I270 P286 L302 | S252-L254 PolarHBondContact O-N 2.99Å; S252-L254 PolarHBondContact OG-N 3.4Å; L254-M256 VanDerWaalsContact C-N 3.32Å; L254-M256 PolarHBondContact O-N 3.24Å; L254-A257 PolarHBondContact O-N 3.02Å; L254-A258 WeakPolarHBondContact O-CB 3.42Å; L254-A258 PolarHBondContact O-N 3.45Å; L254-L269 HydrophobicContact CB-CD1 4.46Å; L254-I270 HydrophobicContact CD1-CD1 4.34Å; L254-I270 HydrophobicContact CD1-CG1 4.19Å; L254-I270 HydrophobicContact CD2-CG1 4.1Å; L254-P286 HydrophobicContact CB-CG 4.18Å; L254-P286 HydrophobicContact CD2-CB 4.18Å; L254-P286 HydrophobicContact CD2-CG 3.87Å; L254-P286 HydrophobicContact CG-CB 3.88Å; L254-P286 HydrophobicContact CG-CG 3.81Å; L254-L302 HydrophobicContact CD1-CD2 4.45Å; L254-L302 HydrophobicContact CD2-CD2 4.14Å |
| 255 | H | 94 | Very high | 91.8 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -42 | 170.1 | -71 | 91.4 | 0 | 0 | 0 | 111.5 | K251 S252 A258 I259 C278 N284 P286 | K251-H255 HydrophobicContact CB-CB 4.01Å; S252-H255 PolarHBondContact N-ND1 3.43Å; S252-H255 WeakPolarHBondContact O-CB 3.42Å; S252-H255 PolarHBondContact O-N 3.42Å; S252-H255 VanDerWaalsContact O-N 3.08Å; S252-H255 PolarHBondContact OG-N 3.08Å; S252-H255 PolarHBondContact OG-ND1 2.83Å; H255-A258 WeakPolarHBondContact O-CB 3.27Å; H255-A258 PolarHBondContact O-N 3.33Å; H255-I259 WeakPolarHBondContact O-CG1 3.49Å; H255-I259 PolarHBondContact O-N 2.86Å; H255-C278 PolarHBondContact CE1-O 3.29Å; H255-C278 PolarHBondContact CE1-SG 2.92Å; H255-C278 PolarHBondContact NE2-O 3.17Å; H255-N284 PolarHBondContact NE2-O 2.72Å; H255-P286 WeakPolarHBondContact NE2-CD 3.5Å |
| 256 | M | 92.6 | Very high | 91.8 | Very high | 13 Ų | 13 | 34.3 Ų | 34.3 | 6% | 0.064 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.4 | -45.4 | 177.5 | -67.8 | -66.4 | 138.2 | 0 | 0 | 111.9 | F217 H221 A224 V225 K251 S252 P253 L254 A258 I259 H260 | F217-M256 HydrophobicContact CD1-CE 4.2Å; F217-M256 HydrophobicContact CE1-CE 3.28Å; F217-M256 HydrophobicContact CE1-SD 4.04Å; F217-M256 HydrophobicContact CZ-CE 3.83Å; F217-M256 HydrophobicContact CZ-SD 4.48Å; H221-M256 HydrophobicContact CB-CG 4.27Å; A224-M256 HydrophobicContact CB-CB 4.05Å; V225-M256 HydrophobicContact CG2-CB 3.81Å; V225-M256 HydrophobicContact CG2-CG 4.25Å; V225-M256 HydrophobicContact CG2-SD 3.98Å; K251-M256 HydrophobicContact CB-CE 3.38Å; K251-M256 HydrophobicContact CD-CE 3.38Å; K251-M256 HydrophobicContact CG-CE 3.99Å; S252-M256 PolarHBondContact O-N 3.27Å; S252-M256 VanDerWaalsContact O-N 3.13Å; P253-M256 WeakPolarHBondContact O-CB 3.42Å; P253-M256 PolarHBondContact O-N 3.29Å; L254-M256 VanDerWaalsContact C-N 3.32Å; L254-M256 PolarHBondContact O-N 3.24Å; M256-A258 PolarHBondContact O-N 3.16Å; M256-I259 HydrophobicContact CE-CD1 4.36Å; M256-I259 PolarHBondContact O-N 3.22Å; M256-I259 HydrophobicContact SD-CD1 4.32Å; M256-H260 PolarHBondContact O-CD2 3.45Å; M256-H260 PolarHBondContact O-N 3.05Å |
| 257 | A | 92.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.4 | -36 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A224 P253 L254 H260 G261 R262 R265 S266 L269 | A224-A257 HydrophobicContact CB-CB 4.38Å; P253-A257 PolarHBondContact O-N 3.17Å; L254-A257 PolarHBondContact O-N 3.02Å; A257-H260 CarbonylContact O-C 3.56Å; A257-H260 PolarHBondContact O-N 3.01Å; A257-G261 PolarHBondContact O-N 3.13Å; A257-R262 HydrophobicContact CB-CB 4.23Å; A257-R262 PolarHBondContact O-N 2.85Å; A257-R265 HydrophobicContact CB-CB 4.49Å; A257-S266 VanDerWaalsContact CB-OG 3.23Å; A257-S266 WeakPolarHBondContact CB-OG 3.23Å; A257-L269 HydrophobicContact CB-CD1 4.43Å |
| 258 | A | 92.8 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -70.2 | -32.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L254 H255 M256 H260 P286 V289 A290 H295 L298 | L254-A258 WeakPolarHBondContact O-CB 3.42Å; L254-A258 PolarHBondContact O-N 3.45Å; H255-A258 WeakPolarHBondContact O-CB 3.27Å; H255-A258 PolarHBondContact O-N 3.33Å; M256-A258 PolarHBondContact O-N 3.16Å; A258-H260 VanDerWaalsContact C-N 3.28Å; A258-H260 PolarHBondContact O-N 3.14Å; A258-P286 HydrophobicContact CB-CB 4.29Å; A258-P286 WeakPolarHBondContact CB-O 3.32Å; A258-V289 HydrophobicContact CB-CB 4.08Å; A258-V289 HydrophobicContact CB-CG1 3.82Å; A258-A290 HydrophobicContact CB-CB 4.41Å; A258-H295 PolarHBondContact O-CD2 2.89Å; A258-H295 PolarHBondContact O-NE2 3.36Å; A258-L298 HydrophobicContact CB-CD2 3.68Å |
| 259 | I | 90.6 | Very high | 91.6 | Very high | 25 Ų | 25 | 27.6 Ų | 27.6 | 13% | 0.128 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.7 | -42.1 | 173.1 | -67.1 | 167.4 | 0 | 0 | 0 | 110.3 | K251 H255 M256 V289 Y293 H295 | K251-I259 HydrophobicContact CD-CD1 4.39Å; H255-I259 WeakPolarHBondContact O-CG1 3.49Å; H255-I259 PolarHBondContact O-N 2.86Å; M256-I259 HydrophobicContact CE-CD1 4.36Å; M256-I259 PolarHBondContact O-N 3.22Å; M256-I259 HydrophobicContact SD-CD1 4.32Å; I259-V289 HydrophobicContact CB-CG1 4.3Å; I259-V289 HydrophobicContact CG1-CG1 3.49Å; I259-V289 VanDerWaalsContact CG1-CG1 3.49Å; I259-Y293 HydrophobicContact CB-CD2 4.44Å; I259-Y293 HydrophobicContact CB-CE2 4.17Å; I259-Y293 HydrophobicContact CG1-CD2 4.46Å; I259-Y293 HydrophobicContact CG1-CE2 3.89Å; I259-Y293 HydrophobicContact CG2-CD2 4.43Å; I259-Y293 HydrophobicContact CG2-CE1 4.42Å; I259-Y293 HydrophobicContact CG2-CE2 3.96Å; I259-H295 PolarHBondContact O-NE2 3.37Å |
| 260 | H | 87.8 | Confident | 91.8 | Very high | 79 Ų | 79 | 25.3 Ų | 25.3 | 37% | 0.366 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 6.4 | -171.8 | -64.5 | -78 | 0 | 0 | 0 | 114.6 | V225 M256 A257 A258 R262 | V225-H260 WeakPolarHBondContact CG1-NE2 3.33Å; M256-H260 PolarHBondContact O-CD2 3.45Å; M256-H260 PolarHBondContact O-N 3.05Å; A257-H260 CarbonylContact O-C 3.56Å; A257-H260 PolarHBondContact O-N 3.01Å; A258-H260 VanDerWaalsContact C-N 3.28Å; A258-H260 PolarHBondContact O-N 3.14Å; H260-R262 VanDerWaalsContact C-N 3.29Å; H260-R262 HydrophobicContact CB-CG 3.92Å; H260-R262 PolarHBondContact O-N 3.01Å |
| 261 | G | 88.3 | Confident | 91.8 | Very high | 25 Ų | 25 | 31 Ų | 31 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 29 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A257 F263 H295 | A257-G261 PolarHBondContact O-N 3.13Å; G261-F263 VanDerWaalsContact C-N 3.32Å; G261-F263 PolarHBondContact O-N 3.26Å; G261-H295 VanDerWaalsContact CA-CE1 3.43Å; G261-H295 WeakPolarHBondContact CA-CE1 3.44Å; G261-H295 VanDerWaalsContact CA-ND1 3.27Å; G261-H295 WeakPolarHBondContact CA-ND1 3.33Å; G261-H295 PolarHBondContact N-CE1 2.92Å; G261-H295 PolarHBondContact N-NE2 3.47Å; G261-H295 VanDerWaalsContact N-NE2 3.2Å |
| 262 | R | 89.5 | Confident | 91.8 | Very high | 72 Ų | 72 | 33.5 Ų | 33.5 | 27% | 0.272 | 17% | 0.168 | S | C | . | . | trans | -81.9 | 77.8 | -176 | -54.5 | -52.4 | -166.9 | -162.9 | -7.6 | 110.6 | A224 V225 S226 T227 A257 H260 T264 R265 S266 | A224-R262 WeakPolarHBondContact O-CG 3.29Å; V225-R262 PolarHBondContact O-NE 3.31Å; S226-R262 PolarHBondContact O-NE 3.21Å; T227-R262 VanDerWaalsContact CG2-NH2 3.29Å; A257-R262 HydrophobicContact CB-CB 4.23Å; A257-R262 PolarHBondContact O-N 2.85Å; H260-R262 VanDerWaalsContact C-N 3.29Å; H260-R262 HydrophobicContact CB-CG 3.92Å; H260-R262 PolarHBondContact O-N 3.01Å; R262-T264 PolarHBondContact O-N 3.46Å; R262-R265 HydrophobicContact CB-CB 4Å; R262-R265 HydrophobicContact CB-CG 4.22Å; R262-R265 VanDerWaalsContact CD-NH1 3.33Å; R262-R265 PolarHBondContact O-N 3.01Å; R262-S266 PolarHBondContact O-N 3.04Å; R262-S266 PolarHBondContact O-OG 3.41Å | ||
| 263 | F | 87.6 | Confident | 91.6 | Very high | 77 Ų | 77 | 35.8 Ų | 35.8 | 34% | 0.338 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -51.3 | -56.4 | -178.7 | 159.6 | -104.5 | 0 | 0 | 0 | 113.2 | G261 R265 S266 Q267 T301 | G261-F263 VanDerWaalsContact C-N 3.32Å; G261-F263 PolarHBondContact O-N 3.26Å; F263-R265 VanDerWaalsContact C-N 3.28Å; F263-R265 PolarHBondContact O-N 3.48Å; F263-S266 WeakPolarHBondContact O-CB 3.43Å; F263-S266 PolarHBondContact O-N 3.4Å; F263-S266 VanDerWaalsContact O-N 3.08Å; F263-Q267 VanDerWaalsContact CZ-OE1 3.23Å; F263-Q267 PolarHBondContact O-N 3.3Å; F263-T301 HydrophobicContact CD2-CG2 4.22Å; F263-T301 WeakPolarHBondContact CD2-OG1 3.34Å; F263-T301 HydrophobicContact CE2-CG2 3.9Å; F263-T301 WeakPolarHBondContact CE2-OG1 3.29Å |
| 264 | T | 89.1 | Confident | 91.5 | Very high | 82 Ų | 82 | 36.1 Ų | 36.1 | 50% | 0.503 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -58.7 | -40 | -177.1 | -46.2 | 0 | 0 | 0 | 0 | 112.2 | R262 Q267 I268 | R262-T264 PolarHBondContact O-N 3.46Å; T264-Q267 PolarHBondContact O-N 2.88Å; T264-I268 HydrophobicContact CG2-CD1 4.21Å; T264-I268 WeakPolarHBondContact O-CD1 3.4Å; T264-I268 VanDerWaalsContact O-CG1 3.3Å; T264-I268 WeakPolarHBondContact O-CG1 3.36Å; T264-I268 PolarHBondContact O-N 2.99Å |
| 265 | R | 91.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 41.4 Ų | 41.4 | 5% | 0.049 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -67.7 | -40.7 | 177.5 | -66.6 | -167.5 | -176 | 89.3 | 5.6 | 112.3 | A223 A224 S226 T227 A230 L233 A257 R262 F263 Q267 I268 L269 | A223-R265 WeakPolarHBondContact O-CD 3.15Å; A223-R265 PolarHBondContact O-NE 2.91Å; A224-R265 WeakPolarHBondContact O-CD 3.48Å; S226-R265 PolarHBondContact O-NH1 3.15Å; S226-R265 PolarHBondContact O-NH2 2.96Å; T227-R265 PolarHBondContact O-NH2 2.75Å; A230-R265 VanDerWaalsContact N-NH2 3.12Å; L233-R265 HydrophobicContact CD1-CB 3.83Å; L233-R265 HydrophobicContact CD1-CG 3.97Å; A257-R265 HydrophobicContact CB-CB 4.49Å; R262-R265 HydrophobicContact CB-CB 4Å; R262-R265 HydrophobicContact CB-CG 4.22Å; R262-R265 VanDerWaalsContact CD-NH1 3.33Å; R262-R265 PolarHBondContact O-N 3.01Å; F263-R265 VanDerWaalsContact C-N 3.28Å; F263-R265 PolarHBondContact O-N 3.48Å; R265-Q267 VanDerWaalsContact C-N 3.29Å; R265-Q267 PolarHBondContact O-N 3.37Å; R265-I268 PolarHBondContact O-N 3.48Å; R265-L269 WeakPolarHBondContact O-CB 3.46Å; R265-L269 VanDerWaalsContact O-CG 3.26Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 2.86Å |
| 266 | S | 92.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 110.7 | A257 R262 F263 L269 I270 L298 | A257-S266 VanDerWaalsContact CB-OG 3.23Å; A257-S266 WeakPolarHBondContact CB-OG 3.23Å; R262-S266 PolarHBondContact O-N 3.04Å; R262-S266 PolarHBondContact O-OG 3.41Å; F263-S266 WeakPolarHBondContact O-CB 3.43Å; F263-S266 PolarHBondContact O-N 3.4Å; F263-S266 VanDerWaalsContact O-N 3.08Å; S266-L269 PolarHBondContact O-N 2.95Å; S266-I270 WeakPolarHBondContact O-CB 3.48Å; S266-I270 WeakPolarHBondContact O-CD1 3.34Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 3.48Å; S266-L298 VanDerWaalsContact OG-CD1 3.23Å; S266-L298 WeakPolarHBondContact OG-CD1 3.17Å |
| 267 | Q | 91.3 | Very high | 91.1 | Very high | 69 Ų | 69 | 44.1 Ų | 44.1 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.9 | -45.4 | 175.9 | -171.8 | 178.5 | -13.5 | 0 | 0 | 112.1 | F263 T264 R265 L269 I270 Q271 | F263-Q267 VanDerWaalsContact CZ-OE1 3.23Å; F263-Q267 PolarHBondContact O-N 3.3Å; T264-Q267 PolarHBondContact O-N 2.88Å; R265-Q267 VanDerWaalsContact C-N 3.29Å; R265-Q267 PolarHBondContact O-N 3.37Å; Q267-L269 VanDerWaalsContact C-N 3.34Å; Q267-L269 PolarHBondContact O-N 2.91Å; Q267-I270 PolarHBondContact O-N 2.86Å; Q267-Q271 HydrophobicContact CG-CG 4.42Å; Q267-Q271 WeakPolarHBondContact O-CB 3.41Å; Q267-Q271 VanDerWaalsContact O-CG 3.25Å; Q267-Q271 WeakPolarHBondContact O-CG 3.38Å; Q267-Q271 PolarHBondContact O-N 2.95Å |
| 268 | I | 91.3 | Very high | 91 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 8% | 0.077 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 176.1 | -65.3 | 157.7 | 0 | 0 | 0 | 110.7 | L233 E234 T264 R265 Q271 N272 | L233-I268 HydrophobicContact CD2-CB 3.89Å; L233-I268 HydrophobicContact CD2-CD1 4.45Å; L233-I268 HydrophobicContact CD2-CG2 3.38Å; E234-I268 HydrophobicContact CG-CD1 3.79Å; E234-I268 HydrophobicContact CG-CG1 4.44Å; E234-I268 HydrophobicContact CG-CG2 4.14Å; E234-I268 WeakPolarHBondContact OE1-CD1 3.38Å; T264-I268 HydrophobicContact CG2-CD1 4.21Å; T264-I268 WeakPolarHBondContact O-CD1 3.4Å; T264-I268 VanDerWaalsContact O-CG1 3.3Å; T264-I268 WeakPolarHBondContact O-CG1 3.36Å; T264-I268 PolarHBondContact O-N 2.99Å; R265-I268 PolarHBondContact O-N 3.48Å; I268-Q271 PolarHBondContact O-N 3.42Å; I268-N272 PolarHBondContact O-N 3.31Å; I268-N272 VanDerWaalsContact O-N 3.12Å; I268-N272 PolarHBondContact O-ND2 3.01Å |
| 269 | L | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 178.3 | -70.6 | 169.1 | 0 | 0 | 0 | 111.8 | L220 A224 L233 V243 P253 L254 A257 R265 S266 Q267 N272 G274 | L220-L269 HydrophobicContact CD1-CD2 4.41Å; L220-L269 HydrophobicContact CD2-CD2 4.18Å; L220-L269 HydrophobicContact CG-CD2 4.4Å; A224-L269 HydrophobicContact CB-CD1 4.48Å; L233-L269 HydrophobicContact CD1-CD1 4.34Å; L233-L269 HydrophobicContact CD1-CD2 4.32Å; L233-L269 HydrophobicContact CD1-CG 4.22Å; L233-L269 HydrophobicContact CD2-CD2 4.28Å; L233-L269 HydrophobicContact CD2-CG 4.35Å; V243-L269 HydrophobicContact CB-CD2 4.33Å; V243-L269 HydrophobicContact CG1-CD2 4.14Å; P253-L269 HydrophobicContact CB-CD1 3.84Å; P253-L269 HydrophobicContact CB-CD2 4.01Å; L254-L269 HydrophobicContact CB-CD1 4.46Å; A257-L269 HydrophobicContact CB-CD1 4.43Å; R265-L269 WeakPolarHBondContact O-CB 3.46Å; R265-L269 VanDerWaalsContact O-CG 3.26Å; R265-L269 WeakPolarHBondContact O-CG 3.45Å; R265-L269 PolarHBondContact O-N 2.86Å; S266-L269 PolarHBondContact O-N 2.95Å; Q267-L269 VanDerWaalsContact C-N 3.34Å; Q267-L269 PolarHBondContact O-N 2.91Å; L269-N272 PolarHBondContact O-N 3Å; L269-G274 WeakPolarHBondContact O-CA 3.18Å; L269-G274 PolarHBondContact O-N 3.37Å |
| 270 | I | 92.6 | Very high | 91.1 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 10% | 0.103 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.5 | -45.7 | 178.3 | -67 | 163.9 | 0 | 0 | 0 | 110.8 | L254 S266 Q267 N272 G273 I276 L302 N305 | L254-I270 HydrophobicContact CD1-CD1 4.34Å; L254-I270 HydrophobicContact CD1-CG1 4.19Å; L254-I270 HydrophobicContact CD2-CG1 4.1Å; S266-I270 WeakPolarHBondContact O-CB 3.48Å; S266-I270 WeakPolarHBondContact O-CD1 3.34Å; S266-I270 WeakPolarHBondContact O-CG1 3.36Å; S266-I270 PolarHBondContact O-N 3.48Å; Q267-I270 PolarHBondContact O-N 2.86Å; I270-N272 PolarHBondContact O-N 2.68Å; I270-G273 PolarHBondContact O-N 3.36Å; I270-G273 VanDerWaalsContact O-N 3.13Å; I270-I276 HydrophobicContact CG1-CG1 4.24Å; I270-I276 HydrophobicContact CG2-CD1 4.04Å; I270-I276 HydrophobicContact CG2-CG1 4.26Å; I270-L302 HydrophobicContact CD1-CD2 3.96Å; I270-N305 HydrophobicContact CG2-CB 4.02Å |
| 271 | Q | 91.9 | Very high | 91.3 | Very high | 129 Ų | 129 | 49 Ų | 49 | 60% | 0.603 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.1 | -26.5 | 179.1 | -74.8 | 176.4 | -14.8 | 0 | 0 | 113.2 | Q267 I268 | Q267-Q271 HydrophobicContact CG-CG 4.42Å; Q267-Q271 WeakPolarHBondContact O-CB 3.41Å; Q267-Q271 VanDerWaalsContact O-CG 3.25Å; Q267-Q271 WeakPolarHBondContact O-CG 3.38Å; Q267-Q271 PolarHBondContact O-N 2.95Å; I268-Q271 PolarHBondContact O-N 3.42Å |
| 272 | N | 92.6 | Very high | 91.2 | Very high | 78 Ų | 78 | 51.5 Ų | 51.5 | 42% | 0.417 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | 23.7 | 178.4 | -70.5 | -80.8 | 0 | 0 | 0 | 113.4 | V237 V243 I268 L269 I270 | V237-N272 HydrophobicContact CG1-CB 3.54Å; V237-N272 VanDerWaalsContact CG1-CG 3.41Å; V243-N272 HydrophobicContact CG1-CB 4.39Å; I268-N272 PolarHBondContact O-N 3.31Å; I268-N272 VanDerWaalsContact O-N 3.12Å; I268-N272 PolarHBondContact O-ND2 3.01Å; L269-N272 PolarHBondContact O-N 3Å; I270-N272 PolarHBondContact O-N 2.68Å |
| 273 | G | 90.5 | Very high | 91.3 | Very high | 50 Ų | 50 | 49.2 Ų | 49.2 | 52% | 0.515 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.3 | 20.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | N244 I270 E275 | N244-G273 PolarHBondContact ND2-O 3.28Å; I270-G273 PolarHBondContact O-N 3.36Å; I270-G273 VanDerWaalsContact O-N 3.13Å; G273-E275 PolarHBondContact O-N 3.38Å |
| 274 | G | 92.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 46.2 Ų | 46.2 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | trans | -64.4 | 126.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | N244 L269 I276 | N244-G274 WeakPolarHBondContact OD1-CA 3.49Å; L269-G274 WeakPolarHBondContact O-CA 3.18Å; L269-G274 PolarHBondContact O-N 3.37Å; G274-I276 PolarHBondContact O-N 3.19Å | ||
| 275 | E | 92.6 | Very high | 91.8 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 53% | 0.533 | 22% | 0.224 | S | C | . | . | trans | -67.9 | 113.5 | 177.2 | -72.1 | 179.1 | -166.4 | 0 | 0 | 110.9 | N244 G273 C278 | N244-E275 PolarHBondContact OD1-N 2.88Å; G273-E275 PolarHBondContact O-N 3.38Å; E275-C278 HydrophobicContact CB-CB 3.92Å; E275-C278 PolarHBondContact O-SG 3.19Å | ||
| 276 | I | 90.6 | Very high | 92 | Very high | 32 Ų | 32 | 41.7 Ų | 41.7 | 16% | 0.164 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -40.7 | -173.1 | -62.1 | 171.8 | 0 | 0 | 0 | 111.8 | I270 G274 P286 L302 N305 A307 | I270-I276 HydrophobicContact CG1-CG1 4.24Å; I270-I276 HydrophobicContact CG2-CD1 4.04Å; I270-I276 HydrophobicContact CG2-CG1 4.26Å; G274-I276 PolarHBondContact O-N 3.19Å; I276-P286 VanDerWaalsContact O-CD 3.27Å; I276-P286 WeakPolarHBondContact O-CD 3.4Å; I276-L302 HydrophobicContact CG2-CD2 4.15Å; I276-N305 HydrophobicContact CD1-CB 3.63Å; I276-N305 WeakPolarHBondContact CD1-O 3.48Å; I276-A307 HydrophobicContact CG2-CB 3.49Å; I276-A307 VanDerWaalsContact CG2-CB 3.49Å |
| 277 | D | 90.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 41.7 Ų | 41.7 | 21% | 0.214 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 27.3 | -179.4 | -64.9 | -40.7 | 0 | 0 | 0 | 113 | T285 D308 R311 | D277-T285 HydrophobicContact CB-CG2 4.45Å; D277-D308 PolarHBondContact OD1-N 3.28Å; D277-D308 VanDerWaalsContact OD1-N 3.13Å; D277-D308 PolarHBondContact OD2-N 3.01Å; D277-R311 PolarHBondContact O-NH1 3.47Å; D277-R311 PolarHBondContact O-NH2 3.45Å |
| 278 | C | 91.2 | Very high | 92.2 | Very high | 8 Ų | 8 | 38.5 Ų | 38.5 | 5% | 0.054 | 21% | 0.207 | C | C | . | . | trans | -58.4 | 144.4 | 167.8 | 61.8 | 0 | 0 | 0 | 0 | 109.5 | S252 H255 E275 T285 P286 | S252-C278 PolarHBondContact OG-SG 3.4Å; H255-C278 PolarHBondContact CE1-O 3.29Å; H255-C278 PolarHBondContact CE1-SG 2.92Å; H255-C278 PolarHBondContact NE2-O 3.17Å; E275-C278 HydrophobicContact CB-CB 3.92Å; E275-C278 PolarHBondContact O-SG 3.19Å; C278-T285 WeakPolarHBondContact O-CA 3.23Å; C278-P286 VanDerWaalsContact O-CD 3.3Å; C278-P286 WeakPolarHBondContact O-CD 3.29Å | ||
| 279 | V | 93.4 | Very high | 92.3 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 31% | 0.309 | 21% | 0.207 | S | C | . | . | trans | -110.6 | 140 | -179.2 | -67.9 | 0 | 0 | 0 | 0 | 110.7 | Q246 N284 T285 | Q246-V279 PolarHBondContact NE2-O 3.08Å; Q246-V279 VanDerWaalsContact NE2-O 3.12Å; V279-N284 CarbonylContact C-O 3.55Å; V279-N284 WeakPolarHBondContact CA-O 3.26Å; V279-T285 HydrophobicContact CG1-CG2 3.95Å | ||
| 280 | D | 93.1 | Very high | 92.3 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 6% | 0.059 | 21% | 0.207 | C | C | . | . | trans | -75.1 | 177.6 | 165.6 | 76.4 | 7.8 | 0 | 0 | 0 | 111.4 | K251 Y282 G283 N284 | K251-D280 HydrophobicContact CG-CB 4.05Å; D280-Y282 PolarHBondContact O-N 3.19Å; D280-Y282 VanDerWaalsContact O-N 3.12Å; D280-Y282 VanDerWaalsContact OD1-CA 3.31Å; D280-Y282 WeakPolarHBondContact OD1-CA 3.39Å; D280-Y282 WeakPolarHBondContact OD1-CB 2.98Å; D280-Y282 PolarHBondContact OD1-N 2.93Å; D280-G283 PolarHBondContact O-N 3.12Å; D280-G283 PolarHBondContact OD1-N 3.35Å; D280-G283 VanDerWaalsContact OD1-N 3.08Å; D280-N284 PolarHBondContact N-O 2.94Å; D280-N284 WeakPolarHBondContact OD1-CB 3.23Å; D280-N284 PolarHBondContact OD1-N 2.81Å | ||
| 281 | K | 91.3 | Very high | 92.3 | Very high | 137 Ų | 137 | 37.4 Ų | 37.4 | 60% | 0.596 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -21 | 179.2 | -176.9 | -177.6 | 175.5 | -175.9 | 0 | 113.8 | E249 G283 | E249-K281 WeakPolarHBondContact O-CB 3.26Å; E249-K281 PolarHBondContact O-N 3.41Å; E249-K281 IonicContact OE1-NZ 2.67Å; E249-K281 WeakPolarHBondContact OE2-CD 3.43Å; E249-K281 IonicContact OE2-NZ 2.83Å; E249-K281 PolarHBondContact OE2-NZ 3.07Å; K281-G283 VanDerWaalsContact C-N 3.34Å |
| 282 | Y | 86.9 | Confident | 92.3 | Very high | 76 Ų | 76 | 33.7 Ų | 33.7 | 30% | 0.298 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -0.3 | 177.5 | -52.2 | -77 | 0 | 0 | 0 | 112.3 | D280 N284 I314 H1009 | D280-Y282 PolarHBondContact O-N 3.19Å; D280-Y282 VanDerWaalsContact O-N 3.12Å; D280-Y282 VanDerWaalsContact OD1-CA 3.31Å; D280-Y282 WeakPolarHBondContact OD1-CA 3.39Å; D280-Y282 WeakPolarHBondContact OD1-CB 2.98Å; D280-Y282 PolarHBondContact OD1-N 2.93Å; Y282-N284 VanDerWaalsContact C-N 3.33Å; Y282-I314 WeakPolarHBondContact O-CA 3.41Å; Y282-H1009 AromaticContact CE2-NE2 3.56Å; Y282-H1009 AromaticContact CZ-NE2 3.43Å; Y282-H1009 PolarHBondContact OH-CE1 3.24Å; Y282-H1009 VanDerWaalsContact OH-CE1 3.28Å; Y282-H1009 PolarHBondContact OH-NE2 3.33Å |
| 283 | G | 90.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 25% | 0.247 | 18% | 0.179 | C | C | . | . | S | Bend | trans | 84.2 | 1.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114 | D280 K281 G313 | D280-G283 PolarHBondContact O-N 3.12Å; D280-G283 PolarHBondContact OD1-N 3.35Å; D280-G283 VanDerWaalsContact OD1-N 3.08Å; K281-G283 VanDerWaalsContact C-N 3.34Å; G283-G313 VanDerWaalsContact O-CA 3.29Å; G283-G313 WeakPolarHBondContact O-CA 3.48Å |
| 284 | N | 93.5 | Very high | 92.2 | Very high | 15 Ų | 15 | 32.5 Ų | 32.5 | 8% | 0.08 | 17% | 0.165 | C | C | . | . | trans | -76 | 139.6 | -179 | -63 | -49.3 | 0 | 0 | 0 | 110.5 | H255 V279 D280 Y282 H288 V289 I314 | H255-N284 PolarHBondContact NE2-O 2.72Å; V279-N284 CarbonylContact C-O 3.55Å; V279-N284 WeakPolarHBondContact CA-O 3.26Å; D280-N284 PolarHBondContact N-O 2.94Å; D280-N284 WeakPolarHBondContact OD1-CB 3.23Å; D280-N284 PolarHBondContact OD1-N 2.81Å; Y282-N284 VanDerWaalsContact C-N 3.33Å; N284-H288 HydrophobicContact CB-CB 3.86Å; N284-V289 HydrophobicContact CB-CG2 4.45Å; N284-I314 WeakPolarHBondContact OD1-CB 3.3Å; N284-I314 WeakPolarHBondContact OD1-CG2 3.26Å; N284-I314 PolarHBondContact OD1-N 3.21Å | ||
| 285 | T | 94.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -90.1 | 167.3 | 168.1 | 67.9 | 0 | 0 | 0 | 0 | 111.1 | D277 C278 V279 L287 H288 V289 R311 | D277-T285 HydrophobicContact CB-CG2 4.45Å; C278-T285 WeakPolarHBondContact O-CA 3.23Å; V279-T285 HydrophobicContact CG1-CG2 3.95Å; T285-L287 PolarHBondContact O-N 3.46Å; T285-L287 VanDerWaalsContact O-N 3.11Å; T285-L287 PolarHBondContact OG1-N 2.82Å; T285-H288 PolarHBondContact N-ND1 2.85Å; T285-H288 WeakPolarHBondContact O-CB 3.48Å; T285-H288 PolarHBondContact O-N 3.42Å; T285-H288 PolarHBondContact OG1-ND1 2.93Å; T285-V289 PolarHBondContact O-N 3.13Å; T285-V289 VanDerWaalsContact O-N 3.11Å; T285-R311 HydrophobicContact CG2-CG 4.06Å | ||
| 286 | P | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -53.3 | -31.1 | 171.3 | -27.8 | 35.7 | 0 | 0 | 0 | 113.3 | L254 H255 A258 I276 C278 V289 A290 L302 | L254-P286 HydrophobicContact CB-CG 4.18Å; L254-P286 HydrophobicContact CD2-CB 4.18Å; L254-P286 HydrophobicContact CD2-CG 3.87Å; L254-P286 HydrophobicContact CG-CB 3.88Å; L254-P286 HydrophobicContact CG-CG 3.81Å; H255-P286 WeakPolarHBondContact NE2-CD 3.5Å; A258-P286 HydrophobicContact CB-CB 4.29Å; A258-P286 WeakPolarHBondContact CB-O 3.32Å; I276-P286 VanDerWaalsContact O-CD 3.27Å; I276-P286 WeakPolarHBondContact O-CD 3.4Å; C278-P286 VanDerWaalsContact O-CD 3.3Å; C278-P286 WeakPolarHBondContact O-CD 3.29Å; P286-V289 PolarHBondContact O-N 2.87Å; P286-A290 WeakPolarHBondContact O-CB 3.15Å; P286-A290 PolarHBondContact O-N 3.01Å; P286-L302 HydrophobicContact CB-CD1 4.21Å; P286-L302 HydrophobicContact CB-CD2 4.37Å |
| 287 | L | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 175.2 | -175.6 | 63.2 | 0 | 0 | 0 | 112.4 | T285 V289 A290 A291 I299 L302 M303 A307 T309 P319 L335 | T285-L287 PolarHBondContact O-N 3.46Å; T285-L287 VanDerWaalsContact O-N 3.11Å; T285-L287 PolarHBondContact OG1-N 2.82Å; L287-V289 VanDerWaalsContact C-N 3.31Å; L287-V289 PolarHBondContact O-N 3.22Å; L287-A290 PolarHBondContact O-N 3.42Å; L287-A291 WeakPolarHBondContact O-CB 3.32Å; L287-A291 PolarHBondContact O-N 3.21Å; L287-I299 HydrophobicContact CD1-CB 4.27Å; L287-I299 HydrophobicContact CD1-CG1 4.11Å; L287-I299 HydrophobicContact CD1-CG2 4Å; L287-L302 HydrophobicContact CB-CD1 4.26Å; L287-L302 HydrophobicContact CD1-CB 4.21Å; L287-L302 HydrophobicContact CD1-CD1 4.28Å; L287-M303 HydrophobicContact CD1-CG 4.49Å; L287-A307 HydrophobicContact CD2-CB 4.07Å; L287-T309 HydrophobicContact CD2-CG2 3.99Å; L287-P319 HydrophobicContact CB-CG 4.4Å; L287-P319 HydrophobicContact CD2-CB 4.28Å; L287-P319 HydrophobicContact CD2-CG 3.84Å; L287-P319 HydrophobicContact CG-CB 3.95Å; L287-P319 HydrophobicContact CG-CG 3.85Å; L287-L335 HydrophobicContact CD1-CD2 4.34Å |
| 288 | H | 93.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -43.2 | 172.9 | -70.7 | 84 | 0 | 0 | 0 | 111.4 | N284 T285 A291 K292 R311 G313 M317 P319 L322 | N284-H288 HydrophobicContact CB-CB 3.86Å; T285-H288 PolarHBondContact N-ND1 2.85Å; T285-H288 WeakPolarHBondContact O-CB 3.48Å; T285-H288 PolarHBondContact O-N 3.42Å; T285-H288 PolarHBondContact OG1-ND1 2.93Å; H288-A291 PolarHBondContact O-N 2.95Å; H288-K292 WeakPolarHBondContact O-CB 3.39Å; H288-K292 PolarHBondContact O-N 3.05Å; H288-R311 PolarHBondContact CE1-O 2.88Å; H288-R311 PolarHBondContact NE2-O 3.14Å; H288-R311 VanDerWaalsContact NE2-O 3.09Å; H288-G313 PolarHBondContact NE2-N 3.26Å; H288-G313 VanDerWaalsContact NE2-N 3.18Å; H288-M317 PolarHBondContact NE2-O 2.92Å; H288-P319 WeakPolarHBondContact NE2-CD 3.45Å; H288-L322 HydrophobicContact CB-CD1 3.84Å |
| 289 | V | 93.3 | Very high | 92.1 | Very high | 12 Ų | 12 | 33.9 Ų | 33.9 | 7% | 0.073 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65 | -47.2 | 177.8 | 175.3 | 0 | 0 | 0 | 0 | 110.7 | A258 I259 N284 T285 P286 L287 A291 K292 Y293 | A258-V289 HydrophobicContact CB-CB 4.08Å; A258-V289 HydrophobicContact CB-CG1 3.82Å; I259-V289 HydrophobicContact CB-CG1 4.3Å; I259-V289 HydrophobicContact CG1-CG1 3.49Å; I259-V289 VanDerWaalsContact CG1-CG1 3.49Å; N284-V289 HydrophobicContact CB-CG2 4.45Å; T285-V289 PolarHBondContact O-N 3.13Å; T285-V289 VanDerWaalsContact O-N 3.11Å; P286-V289 PolarHBondContact O-N 2.87Å; L287-V289 VanDerWaalsContact C-N 3.31Å; L287-V289 PolarHBondContact O-N 3.22Å; V289-A291 VanDerWaalsContact C-N 3.29Å; V289-A291 PolarHBondContact O-N 2.78Å; V289-K292 PolarHBondContact O-N 3.45Å; V289-K292 VanDerWaalsContact O-N 3.16Å; V289-Y293 HydrophobicContact CG1-CD2 3.78Å; V289-Y293 HydrophobicContact CG1-CE2 3.89Å; V289-Y293 VanDerWaalsContact O-CD2 3.25Å; V289-Y293 WeakPolarHBondContact O-CD2 3.28Å; V289-Y293 PolarHBondContact O-N 3.21Å |
| 290 | A | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -40.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A258 P286 L287 Y293 G294 H295 L298 I299 L302 | A258-A290 HydrophobicContact CB-CB 4.41Å; P286-A290 WeakPolarHBondContact O-CB 3.15Å; P286-A290 PolarHBondContact O-N 3.01Å; L287-A290 PolarHBondContact O-N 3.42Å; A290-Y293 PolarHBondContact O-N 3.25Å; A290-G294 PolarHBondContact O-N 3.07Å; A290-H295 HydrophobicContact CB-CB 4.5Å; A290-H295 PolarHBondContact O-N 3.47Å; A290-L298 HydrophobicContact CB-CD2 4Å; A290-L298 HydrophobicContact CB-CG 4.22Å; A290-I299 HydrophobicContact CB-CG1 3.78Å; A290-L302 HydrophobicContact CB-CD1 4.19Å |
| 291 | A | 92.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.9 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L287 H288 V289 Y293 G294 I299 P319 A323 F328 L335 | L287-A291 WeakPolarHBondContact O-CB 3.32Å; L287-A291 PolarHBondContact O-N 3.21Å; H288-A291 PolarHBondContact O-N 2.95Å; V289-A291 VanDerWaalsContact C-N 3.29Å; V289-A291 PolarHBondContact O-N 2.78Å; A291-Y293 VanDerWaalsContact C-N 3.32Å; A291-Y293 PolarHBondContact O-N 2.86Å; A291-G294 PolarHBondContact O-N 2.57Å; A291-I299 HydrophobicContact CB-CD1 4.28Å; A291-P319 HydrophobicContact CB-CB 4.04Å; A291-P319 VanDerWaalsContact CB-O 3.23Å; A291-P319 WeakPolarHBondContact CB-O 3.39Å; A291-A323 HydrophobicContact CB-CB 4.05Å; A291-A323 WeakPolarHBondContact O-CA 3.41Å; A291-F328 WeakPolarHBondContact O-CD2 3.12Å; A291-L335 HydrophobicContact CB-CD1 4.27Å |
| 292 | K | 91.9 | Very high | 91.5 | Very high | 52 Ų | 52 | 26.7 Ų | 26.7 | 23% | 0.226 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.1 | -32.4 | 176.7 | 172.1 | 170 | -177.3 | 175.7 | 0 | 113.5 | H288 V289 L322 Y326 F328 | H288-K292 WeakPolarHBondContact O-CB 3.39Å; H288-K292 PolarHBondContact O-N 3.05Å; V289-K292 PolarHBondContact O-N 3.45Å; V289-K292 VanDerWaalsContact O-N 3.16Å; K292-L322 HydrophobicContact CB-CB 4.45Å; K292-L322 HydrophobicContact CB-CD1 4.47Å; K292-Y326 HydrophobicContact CB-CD2 4.35Å; K292-Y326 HydrophobicContact CB-CE2 4.26Å; K292-Y326 HydrophobicContact CD-CE2 4.08Å; K292-Y326 WeakPolarHBondContact CE-OH 3.4Å; K292-Y326 HydrophobicContact CG-CD2 3.98Å; K292-Y326 HydrophobicContact CG-CE2 3.59Å; K292-F328 VanDerWaalsContact O-CE2 3.3Å; K292-F328 WeakPolarHBondContact O-CE2 3.17Å |
| 293 | Y | 90.5 | Very high | 91.5 | Very high | 82 Ų | 82 | 24.6 Ų | 24.6 | 32% | 0.322 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -102.9 | -0.3 | -178.6 | -69 | -76.6 | 0 | 0 | 0 | 114.1 | I259 V289 A290 A291 H295 | I259-Y293 HydrophobicContact CB-CD2 4.44Å; I259-Y293 HydrophobicContact CB-CE2 4.17Å; I259-Y293 HydrophobicContact CG1-CD2 4.46Å; I259-Y293 HydrophobicContact CG1-CE2 3.89Å; I259-Y293 HydrophobicContact CG2-CD2 4.43Å; I259-Y293 HydrophobicContact CG2-CE1 4.42Å; I259-Y293 HydrophobicContact CG2-CE2 3.96Å; V289-Y293 HydrophobicContact CG1-CD2 3.78Å; V289-Y293 HydrophobicContact CG1-CE2 3.89Å; V289-Y293 VanDerWaalsContact O-CD2 3.25Å; V289-Y293 WeakPolarHBondContact O-CD2 3.28Å; V289-Y293 PolarHBondContact O-N 3.21Å; A290-Y293 PolarHBondContact O-N 3.25Å; A291-Y293 VanDerWaalsContact C-N 3.32Å; A291-Y293 PolarHBondContact O-N 2.86Å; Y293-H295 VanDerWaalsContact CB-NE2 3.33Å; Y293-H295 WeakPolarHBondContact CB-NE2 3.49Å |
| 294 | G | 91.4 | Very high | 91.2 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 22% | 0.216 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80 | 27.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | A290 A291 E296 F328 | A290-G294 PolarHBondContact O-N 3.07Å; A291-G294 PolarHBondContact O-N 2.57Å; G294-E296 PolarHBondContact O-N 3.27Å; G294-E296 VanDerWaalsContact O-N 3.17Å; G294-F328 VanDerWaalsContact CA-CD2 3.47Å; G294-F328 VanDerWaalsContact CA-CG 3.41Å |
| 295 | H | 93.4 | Very high | 90.8 | Very high | 46 Ų | 46 | 31.7 Ų | 31.7 | 21% | 0.213 | 17% | 0.169 | C | C | . | . | trans | -89 | 79.5 | -175.4 | -60.6 | -57.8 | 0 | 0 | 0 | 112.4 | A258 I259 G261 A290 Y293 L297 L298 I299 | A258-H295 PolarHBondContact O-CD2 2.89Å; A258-H295 PolarHBondContact O-NE2 3.36Å; I259-H295 PolarHBondContact O-NE2 3.37Å; G261-H295 VanDerWaalsContact CA-CE1 3.43Å; G261-H295 WeakPolarHBondContact CA-CE1 3.44Å; G261-H295 VanDerWaalsContact CA-ND1 3.27Å; G261-H295 WeakPolarHBondContact CA-ND1 3.33Å; G261-H295 PolarHBondContact N-CE1 2.92Å; G261-H295 PolarHBondContact N-NE2 3.47Å; G261-H295 VanDerWaalsContact N-NE2 3.2Å; A290-H295 HydrophobicContact CB-CB 4.5Å; A290-H295 PolarHBondContact O-N 3.47Å; Y293-H295 VanDerWaalsContact CB-NE2 3.33Å; Y293-H295 WeakPolarHBondContact CB-NE2 3.49Å; H295-L297 PolarHBondContact O-N 3.49Å; H295-L298 HydrophobicContact CB-CB 3.97Å; H295-L298 PolarHBondContact O-N 2.84Å; H295-L298 VanDerWaalsContact O-N 3.13Å; H295-I299 WeakPolarHBondContact O-CG1 3.33Å; H295-I299 PolarHBondContact O-N 3.42Å | ||
| 296 | E | 90.6 | Very high | 90.3 | Very high | 62 Ų | 62 | 33.8 Ų | 33.8 | 29% | 0.29 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -53.7 | -48.6 | -175.3 | -172.2 | -157.2 | 157.8 | 0 | 0 | 114 | G294 L298 I299 S300 D330 K334 | G294-E296 PolarHBondContact O-N 3.27Å; G294-E296 VanDerWaalsContact O-N 3.17Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 3.31Å; E296-I299 PolarHBondContact O-N 3.22Å; E296-S300 PolarHBondContact O-N 3.42Å; E296-S300 PolarHBondContact O-OG 3.04Å; E296-S300 VanDerWaalsContact O-OG 3.11Å; E296-D330 HydrophobicContact CG-CB 4.21Å; E296-K334 HydrophobicContact CG-CG 3.81Å; E296-K334 WeakPolarHBondContact OE1-CE 3.31Å; E296-K334 IonicContact OE1-NZ 3.73Å |
| 297 | L | 88.8 | Confident | 90 | Very high | 120 Ų | 120 | 34.2 Ų | 34.2 | 63% | 0.628 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -62.1 | -37.5 | -179 | -67.1 | 176.6 | 0 | 0 | 0 | 111.5 | H295 S300 T301 | H295-L297 PolarHBondContact O-N 3.49Å; L297-S300 PolarHBondContact O-N 2.88Å; L297-T301 PolarHBondContact O-N 2.99Å; L297-T301 VanDerWaalsContact O-N 3.08Å; L297-T301 PolarHBondContact O-OG1 2.94Å |
| 298 | L | 90.1 | Very high | 89.6 | Confident | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -72.2 | -40.4 | 178.3 | -178.7 | 60.8 | 0 | 0 | 0 | 111.7 | A258 S266 A290 H295 E296 S300 T301 L302 | A258-L298 HydrophobicContact CB-CD2 3.68Å; S266-L298 VanDerWaalsContact OG-CD1 3.23Å; S266-L298 WeakPolarHBondContact OG-CD1 3.17Å; A290-L298 HydrophobicContact CB-CD2 4Å; A290-L298 HydrophobicContact CB-CG 4.22Å; H295-L298 HydrophobicContact CB-CB 3.97Å; H295-L298 PolarHBondContact O-N 2.84Å; H295-L298 VanDerWaalsContact O-N 3.13Å; E296-L298 VanDerWaalsContact C-N 3.26Å; E296-L298 PolarHBondContact O-N 3.31Å; L298-S300 VanDerWaalsContact C-N 3.29Å; L298-S300 PolarHBondContact O-N 3.2Å; L298-T301 WeakPolarHBondContact O-CB 3.44Å; L298-T301 PolarHBondContact O-N 3.47Å; L298-T301 VanDerWaalsContact O-N 3.1Å; L298-L302 HydrophobicContact CD1-CD1 4.32Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 3.96Å; L298-L302 HydrophobicContact CG-CG 4.27Å; L298-L302 WeakPolarHBondContact O-CG 3.36Å; L298-L302 PolarHBondContact O-N 2.76Å |
| 299 | I | 90.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -55.5 | -48.2 | 172.8 | -71 | 173.5 | 0 | 0 | 0 | 110.2 | L287 A290 A291 H295 E296 T301 L302 M303 C331 K334 L335 | L287-I299 HydrophobicContact CD1-CB 4.27Å; L287-I299 HydrophobicContact CD1-CG1 4.11Å; L287-I299 HydrophobicContact CD1-CG2 4Å; A290-I299 HydrophobicContact CB-CG1 3.78Å; A291-I299 HydrophobicContact CB-CD1 4.28Å; H295-I299 WeakPolarHBondContact O-CG1 3.33Å; H295-I299 PolarHBondContact O-N 3.42Å; E296-I299 PolarHBondContact O-N 3.22Å; I299-T301 PolarHBondContact O-N 3.27Å; I299-L302 PolarHBondContact O-N 2.94Å; I299-M303 HydrophobicContact CG2-CG 4.37Å; I299-M303 HydrophobicContact CG2-SD 3.54Å; I299-M303 VanDerWaalsContact CG2-SD 3.54Å; I299-M303 WeakPolarHBondContact O-CB 3.41Å; I299-M303 VanDerWaalsContact O-CG 3.24Å; I299-M303 WeakPolarHBondContact O-CG 3.18Å; I299-M303 PolarHBondContact O-N 3.43Å; I299-C331 HydrophobicContact CD1-CB 3.58Å; I299-C331 WeakPolarHBondContact CD1-SG 3.46Å; I299-K334 HydrophobicContact CG2-CB 4.43Å; I299-L335 HydrophobicContact CG2-CD2 3.89Å; I299-L335 HydrophobicContact CG2-CG 4.11Å |
| 300 | S | 88.1 | Confident | 88.9 | Confident | 32 Ų | 32 | 39 Ų | 39 | 22% | 0.224 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.6 | -38.1 | 177.8 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | E296 L297 L298 T304 | E296-S300 PolarHBondContact O-N 3.42Å; E296-S300 PolarHBondContact O-OG 3.04Å; E296-S300 VanDerWaalsContact O-OG 3.11Å; L297-S300 PolarHBondContact O-N 2.88Å; L298-S300 VanDerWaalsContact C-N 3.29Å; L298-S300 PolarHBondContact O-N 3.2Å; S300-T304 WeakPolarHBondContact O-CB 3.02Å; S300-T304 VanDerWaalsContact O-CG2 3.27Å; S300-T304 WeakPolarHBondContact O-CG2 3.4Å; S300-T304 PolarHBondContact O-N 2.98Å; S300-T304 PolarHBondContact O-OG1 3.02Å |
| 301 | T | 87.4 | Confident | 88.5 | Confident | 15 Ų | 15 | 43.3 Ų | 43.3 | 9% | 0.092 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.9 | -46.8 | 178.3 | -53.5 | 0 | 0 | 0 | 0 | 111.9 | F263 L297 L298 I299 M303 T304 N305 | F263-T301 HydrophobicContact CD2-CG2 4.22Å; F263-T301 WeakPolarHBondContact CD2-OG1 3.34Å; F263-T301 HydrophobicContact CE2-CG2 3.9Å; F263-T301 WeakPolarHBondContact CE2-OG1 3.29Å; L297-T301 PolarHBondContact O-N 2.99Å; L297-T301 VanDerWaalsContact O-N 3.08Å; L297-T301 PolarHBondContact O-OG1 2.94Å; L298-T301 WeakPolarHBondContact O-CB 3.44Å; L298-T301 PolarHBondContact O-N 3.47Å; L298-T301 VanDerWaalsContact O-N 3.1Å; I299-T301 PolarHBondContact O-N 3.27Å; T301-M303 VanDerWaalsContact C-N 3.32Å; T301-M303 PolarHBondContact O-N 2.79Å; T301-T304 WeakPolarHBondContact CA-OG1 3.48Å; T301-T304 PolarHBondContact O-N 3.47Å; T301-T304 PolarHBondContact O-OG1 2.77Å; T301-N305 PolarHBondContact O-N 3.37Å; T301-N305 VanDerWaalsContact O-N 3.08Å; T301-N305 PolarHBondContact O-ND2 3.2Å |
| 302 | L | 89.7 | Confident | 88.4 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 177.6 | -70.7 | 169.4 | 0 | 0 | 0 | 110.6 | L254 I270 I276 P286 L287 A290 L298 I299 N305 G306 A307 | L254-L302 HydrophobicContact CD1-CD2 4.45Å; L254-L302 HydrophobicContact CD2-CD2 4.14Å; I270-L302 HydrophobicContact CD1-CD2 3.96Å; I276-L302 HydrophobicContact CG2-CD2 4.15Å; P286-L302 HydrophobicContact CB-CD1 4.21Å; P286-L302 HydrophobicContact CB-CD2 4.37Å; L287-L302 HydrophobicContact CB-CD1 4.26Å; L287-L302 HydrophobicContact CD1-CB 4.21Å; L287-L302 HydrophobicContact CD1-CD1 4.28Å; A290-L302 HydrophobicContact CB-CD1 4.19Å; L298-L302 HydrophobicContact CD1-CD1 4.32Å; L298-L302 HydrophobicContact CD1-CG 4.15Å; L298-L302 HydrophobicContact CG-CD1 3.96Å; L298-L302 HydrophobicContact CG-CG 4.27Å; L298-L302 WeakPolarHBondContact O-CG 3.36Å; L298-L302 PolarHBondContact O-N 2.76Å; I299-L302 PolarHBondContact O-N 2.94Å; L302-N305 CarbonylContact O-C 3.59Å; L302-N305 PolarHBondContact O-N 3.4Å; L302-G306 PolarHBondContact O-N 3.36Å; L302-A307 HydrophobicContact CB-CB 3.91Å; L302-A307 WeakPolarHBondContact O-CB 2.98Å; L302-A307 PolarHBondContact O-N 2.58Å |
| 303 | M | 86.9 | Confident | 88.2 | Confident | 33 Ų | 33 | 47.7 Ų | 47.7 | 16% | 0.163 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 176.8 | -73.5 | 170.7 | 39.5 | 0 | 0 | 113 | L287 I299 T301 N305 G306 T309 L335 | L287-M303 HydrophobicContact CD1-CG 4.49Å; I299-M303 HydrophobicContact CG2-CG 4.37Å; I299-M303 HydrophobicContact CG2-SD 3.54Å; I299-M303 VanDerWaalsContact CG2-SD 3.54Å; I299-M303 WeakPolarHBondContact O-CB 3.41Å; I299-M303 VanDerWaalsContact O-CG 3.24Å; I299-M303 WeakPolarHBondContact O-CG 3.18Å; I299-M303 PolarHBondContact O-N 3.43Å; T301-M303 VanDerWaalsContact C-N 3.32Å; T301-M303 PolarHBondContact O-N 2.79Å; M303-N305 PolarHBondContact O-N 3.48Å; M303-G306 PolarHBondContact O-N 3.35Å; M303-T309 HydrophobicContact CG-CG2 4.03Å; M303-T309 HydrophobicContact SD-CG2 4.46Å; M303-L335 HydrophobicContact SD-CD2 4.02Å |
| 304 | T | 85.8 | Confident | 88.1 | Confident | 112 Ų | 112 | 45.7 Ų | 45.7 | 69% | 0.687 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -65.2 | -25.8 | 178.2 | 45.4 | 0 | 0 | 0 | 0 | 112.9 | S300 T301 G306 | S300-T304 WeakPolarHBondContact O-CB 3.02Å; S300-T304 VanDerWaalsContact O-CG2 3.27Å; S300-T304 WeakPolarHBondContact O-CG2 3.4Å; S300-T304 PolarHBondContact O-N 2.98Å; S300-T304 PolarHBondContact O-OG1 3.02Å; T301-T304 WeakPolarHBondContact CA-OG1 3.48Å; T301-T304 PolarHBondContact O-N 3.47Å; T301-T304 PolarHBondContact O-OG1 2.77Å; T304-G306 VanDerWaalsContact C-N 3.34Å |
| 305 | N | 85.3 | Confident | 87.9 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 40% | 0.401 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.5 | 173.8 | -69.5 | -83.6 | 0 | 0 | 0 | 113.3 | I270 I276 T301 L302 M303 | I270-N305 HydrophobicContact CG2-CB 4.02Å; I276-N305 HydrophobicContact CD1-CB 3.63Å; I276-N305 WeakPolarHBondContact CD1-O 3.48Å; T301-N305 PolarHBondContact O-N 3.37Å; T301-N305 VanDerWaalsContact O-N 3.08Å; T301-N305 PolarHBondContact O-ND2 3.2Å; L302-N305 CarbonylContact O-C 3.59Å; L302-N305 PolarHBondContact O-N 3.4Å; M303-N305 PolarHBondContact O-N 3.48Å |
| 306 | G | 83.8 | Confident | 87.7 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.8 | 22 | 171.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | L302 M303 T304 | L302-G306 PolarHBondContact O-N 3.36Å; M303-G306 PolarHBondContact O-N 3.35Å; T304-G306 VanDerWaalsContact C-N 3.34Å |
| 307 | A | 88.2 | Confident | 87.7 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | trans | -61.3 | 135.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I276 L287 L302 T309 | I276-A307 HydrophobicContact CG2-CB 3.49Å; I276-A307 VanDerWaalsContact CG2-CB 3.49Å; L287-A307 HydrophobicContact CD2-CB 4.07Å; L302-A307 HydrophobicContact CB-CB 3.91Å; L302-A307 WeakPolarHBondContact O-CB 2.98Å; L302-A307 PolarHBondContact O-N 2.58Å; A307-T309 PolarHBondContact O-N 3.44Å | ||
| 308 | D | 86.1 | Confident | 87.8 | Confident | 68 Ų | 68 | 39.6 Ų | 39.6 | 36% | 0.364 | 22% | 0.218 | S | C | . | . | trans | -75.3 | 110.6 | 177.5 | -177.9 | 4.7 | 0 | 0 | 0 | 111.5 | D277 A310 R311 | D277-D308 PolarHBondContact OD1-N 3.28Å; D277-D308 VanDerWaalsContact OD1-N 3.13Å; D277-D308 PolarHBondContact OD2-N 3.01Å; D308-A310 VanDerWaalsContact C-N 3.32Å; D308-A310 WeakPolarHBondContact OD1-CA 3.24Å; D308-A310 WeakPolarHBondContact OD1-CB 3.45Å; D308-A310 PolarHBondContact OD1-N 2.66Å; D308-R311 HydrophobicContact CB-CB 4.09Å; D308-R311 PolarHBondContact OD1-N 3.28Å | ||
| 309 | T | 85.8 | Confident | 87.9 | Confident | 17 Ų | 17 | 39.5 Ų | 39.5 | 10% | 0.104 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -16.4 | 178.6 | 61 | 0 | 0 | 0 | 0 | 113.4 | L287 M303 A307 P319 L335 | L287-T309 HydrophobicContact CD2-CG2 3.99Å; M303-T309 HydrophobicContact CG-CG2 4.03Å; M303-T309 HydrophobicContact SD-CG2 4.46Å; A307-T309 PolarHBondContact O-N 3.44Å; T309-P319 WeakPolarHBondContact O-CD 3.28Å; T309-L335 HydrophobicContact CG2-CD2 4.36Å |
| 310 | A | 85.6 | Confident | 87.9 | Confident | 29 Ų | 29 | 39.6 Ų | 39.6 | 24% | 0.24 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | -1.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D308 R312 F318 F358 | D308-A310 VanDerWaalsContact C-N 3.32Å; D308-A310 WeakPolarHBondContact OD1-CA 3.24Å; D308-A310 WeakPolarHBondContact OD1-CB 3.45Å; D308-A310 PolarHBondContact OD1-N 2.66Å; A310-R312 PolarHBondContact O-N 2.9Å; A310-F318 WeakPolarHBondContact O-CD1 3.35Å; A310-F318 WeakPolarHBondContact O-CE1 3.4Å; A310-F358 HydrophobicContact CB-CB 3.82Å; A310-F358 HydrophobicContact CB-CD1 4.36Å; A310-F358 HydrophobicContact CB-CG 4.49Å |
| 311 | R | 86.6 | Confident | 88 | Confident | 90 Ų | 90 | 38.1 Ų | 38.1 | 34% | 0.34 | 21% | 0.207 | S | C | . | . | trans | -63.4 | 133.9 | -179.1 | -168.4 | 144.8 | 177.4 | 160.7 | -2.4 | 110.7 | D277 T285 H288 D308 | D277-R311 PolarHBondContact O-NH1 3.47Å; D277-R311 PolarHBondContact O-NH2 3.45Å; T285-R311 HydrophobicContact CG2-CG 4.06Å; H288-R311 PolarHBondContact CE1-O 2.88Å; H288-R311 PolarHBondContact NE2-O 3.14Å; H288-R311 VanDerWaalsContact NE2-O 3.09Å; D308-R311 HydrophobicContact CB-CB 4.09Å; D308-R311 PolarHBondContact OD1-N 3.28Å | ||
| 312 | R | 89.4 | Confident | 88.2 | Confident | 133 Ų | 133 | 37.8 Ų | 37.8 | 50% | 0.502 | 21% | 0.205 | S | C | . | . | trans | -86 | 117.9 | 177.7 | -71.2 | -173 | 174.7 | -162.8 | -4.1 | 110.4 | A310 F318 | A310-R312 PolarHBondContact O-N 2.9Å; R312-F318 HydrophobicContact CG-CD1 4.02Å; R312-F318 HydrophobicContact CG-CE1 3.55Å | ||
| 313 | G | 88.3 | Confident | 88.3 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 11% | 0.113 | 21% | 0.205 | C | C | . | . | trans | -98.5 | -138.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | G283 H288 H315 G316 M317 | G283-G313 VanDerWaalsContact O-CA 3.29Å; G283-G313 WeakPolarHBondContact O-CA 3.48Å; H288-G313 PolarHBondContact NE2-N 3.26Å; H288-G313 VanDerWaalsContact NE2-N 3.18Å; G313-H315 PolarHBondContact O-N 3.3Å; G313-G316 PolarHBondContact O-N 3.01Å; G313-M317 PolarHBondContact N-O 3.23Å | ||
| 314 | I | 87.8 | Confident | 88.5 | Confident | 41 Ų | 41 | 36.2 Ų | 36.2 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -55.2 | 131.9 | -179.8 | -165.8 | 174.4 | 0 | 0 | 0 | 111.3 | Y282 N284 G316 M317 L322 | Y282-I314 WeakPolarHBondContact O-CA 3.41Å; N284-I314 WeakPolarHBondContact OD1-CB 3.3Å; N284-I314 WeakPolarHBondContact OD1-CG2 3.26Å; N284-I314 PolarHBondContact OD1-N 3.21Å; I314-G316 PolarHBondContact O-N 2.91Å; I314-M317 VanDerWaalsContact O-CB 3.24Å; I314-M317 WeakPolarHBondContact O-CB 3.35Å; I314-M317 WeakPolarHBondContact O-CG 3.46Å; I314-M317 PolarHBondContact O-N 3.29Å; I314-L322 HydrophobicContact CG2-CD2 4.5Å |
| 315 | H | 87.9 | Confident | 88.6 | Confident | 95 Ų | 95 | 33.4 Ų | 33.4 | 44% | 0.44 | 18% | 0.177 | S | C | . | . | G | 310 helix | trans | 54.3 | 22.9 | -176.7 | -54.3 | -58.4 | 0 | 0 | 0 | 115.4 | G313 M317 N365 F366 | G313-H315 PolarHBondContact O-N 3.3Å; H315-M317 HydrophobicContact CB-CG 4.43Å; H315-M317 PolarHBondContact O-N 3.49Å; H315-N365 VanDerWaalsContact C-CG 3.41Å; H315-N365 VanDerWaalsContact C-ND2 3.28Å; H315-N365 WeakPolarHBondContact O-CB 3.3Å; H315-N365 PolarHBondContact O-N 3.32Å; H315-N365 PolarHBondContact O-ND2 3.34Å; H315-F366 HydrophobicContact CB-CD2 4.3Å; H315-F366 HydrophobicContact CB-CE2 3.7Å; H315-F366 AromaticContact CG-CE2 3.64Å; H315-F366 AromaticContact ND1-CE2 3.74Å; H315-F366 AromaticContact ND1-CZ 3.87Å |
| 316 | G | 88.4 | Confident | 88.8 | Confident | 6 Ų | 6 | 35.1 Ų | 35.1 | 6% | 0.062 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | 73.7 | 11.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | G313 I314 N365 | G313-G316 PolarHBondContact O-N 3.01Å; I314-G316 PolarHBondContact O-N 2.91Å; G316-N365 PolarHBondContact N-ND2 2.99Å |
| 317 | M | 90.3 | Very high | 89 | Confident | 11 Ų | 11 | 33.9 Ų | 33.9 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | trans | -72.9 | 141.6 | 177.6 | -68 | -175.2 | 131 | 0 | 0 | 111 | H288 G313 I314 H315 H321 L322 L325 D364 | H288-M317 PolarHBondContact NE2-O 2.92Å; G313-M317 PolarHBondContact N-O 3.23Å; I314-M317 VanDerWaalsContact O-CB 3.24Å; I314-M317 WeakPolarHBondContact O-CB 3.35Å; I314-M317 WeakPolarHBondContact O-CG 3.46Å; I314-M317 PolarHBondContact O-N 3.29Å; H315-M317 HydrophobicContact CB-CG 4.43Å; H315-M317 PolarHBondContact O-N 3.49Å; M317-H321 HydrophobicContact CB-CB 3.94Å; M317-H321 HydrophobicContact CE-CB 4.27Å; M317-H321 HydrophobicContact CG-CB 4.21Å; M317-L322 HydrophobicContact SD-CD2 3.86Å; M317-L325 HydrophobicContact CE-CD2 4.49Å; M317-D364 HydrophobicContact CG-CB 4.04Å | ||
| 318 | F | 91.1 | Very high | 89.1 | Confident | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.039 | 18% | 0.178 | C | C | . | . | trans | -80.7 | 164.2 | 166.9 | -57.3 | -33.1 | 0 | 0 | 0 | 111.5 | A310 R312 L320 H321 L322 F358 T362 | A310-F318 WeakPolarHBondContact O-CD1 3.35Å; A310-F318 WeakPolarHBondContact O-CE1 3.4Å; R312-F318 HydrophobicContact CG-CD1 4.02Å; R312-F318 HydrophobicContact CG-CE1 3.55Å; F318-L320 PolarHBondContact O-N 3.44Å; F318-H321 WeakPolarHBondContact CB-ND1 3.42Å; F318-H321 AromaticContact CD2-CE1 3.66Å; F318-H321 AromaticContact CD2-ND1 3.74Å; F318-H321 AromaticContact CG-ND1 3.72Å; F318-H321 PolarHBondContact N-ND1 2.95Å; F318-H321 VanDerWaalsContact N-ND1 3.14Å; F318-H321 WeakPolarHBondContact O-CB 3.38Å; F318-H321 PolarHBondContact O-N 3.22Å; F318-L322 PolarHBondContact O-N 3.16Å; F318-F358 AromaticContact CD2-CD2 3.95Å; F318-F358 HydrophobicContact CD2-CD2 3.95Å; F318-F358 HydrophobicContact CD2-CE2 4.39Å; F318-F358 HydrophobicContact CD2-CG 4.39Å; F318-F358 HydrophobicContact CE2-CB 4.14Å; F318-F358 AromaticContact CE2-CD2 3.98Å; F318-F358 HydrophobicContact CE2-CD2 3.98Å; F318-F358 HydrophobicContact CE2-CG 4.28Å; F318-T362 HydrophobicContact CE2-CG2 3.92Å; F318-T362 HydrophobicContact CZ-CG2 3.65Å | ||
| 319 | P | 91.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -53.8 | -36 | 170.4 | -25.1 | 35 | 0 | 0 | 0 | 112.7 | L287 H288 A291 T309 H321 L322 A323 L335 | L287-P319 HydrophobicContact CB-CG 4.4Å; L287-P319 HydrophobicContact CD2-CB 4.28Å; L287-P319 HydrophobicContact CD2-CG 3.84Å; L287-P319 HydrophobicContact CG-CB 3.95Å; L287-P319 HydrophobicContact CG-CG 3.85Å; H288-P319 WeakPolarHBondContact NE2-CD 3.45Å; A291-P319 HydrophobicContact CB-CB 4.04Å; A291-P319 VanDerWaalsContact CB-O 3.23Å; A291-P319 WeakPolarHBondContact CB-O 3.39Å; T309-P319 WeakPolarHBondContact O-CD 3.28Å; P319-H321 PolarHBondContact O-N 3.27Å; P319-L322 PolarHBondContact O-N 2.85Å; P319-A323 PolarHBondContact O-N 3.21Å; P319-L335 HydrophobicContact CB-CD1 4.21Å; P319-L335 HydrophobicContact CB-CD2 4.43Å |
| 320 | L | 91.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.4 | -42.2 | 177.1 | -177.6 | 64.7 | 0 | 0 | 0 | 112.5 | F318 L322 A323 V324 C332 L335 L336 F358 C370 L386 | F318-L320 PolarHBondContact O-N 3.44Å; L320-L322 PolarHBondContact O-N 3.11Å; L320-A323 PolarHBondContact O-N 3.16Å; L320-V324 HydrophobicContact CD1-CG2 3.89Å; L320-V324 HydrophobicContact CG-CG2 4.25Å; L320-V324 WeakPolarHBondContact O-CB 3.28Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.29Å; L320-V324 PolarHBondContact O-N 3.28Å; L320-C332 HydrophobicContact CD1-CB 4.34Å; L320-L335 HydrophobicContact CB-CD1 4.37Å; L320-L335 HydrophobicContact CD1-CB 3.98Å; L320-L335 HydrophobicContact CD1-CD1 4.39Å; L320-L336 HydrophobicContact CD1-CD2 4.49Å; L320-L336 HydrophobicContact CD1-CG 4.23Å; L320-L336 HydrophobicContact CD2-CD2 3.74Å; L320-L336 HydrophobicContact CD2-CG 4.37Å; L320-F358 HydrophobicContact CB-CE2 4.45Å; L320-F358 HydrophobicContact CB-CZ 4.19Å; L320-F358 HydrophobicContact CD2-CE2 3.69Å; L320-F358 HydrophobicContact CD2-CZ 3.82Å; L320-C370 HydrophobicContact CD2-CB 4.5Å; L320-L386 HydrophobicContact CD2-CD2 4.22Å |
| 321 | H | 90.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.2 | -41.4 | 177 | -71.8 | 93 | 0 | 0 | 0 | 110.9 | M317 F318 P319 L325 C370 | M317-H321 HydrophobicContact CB-CB 3.94Å; M317-H321 HydrophobicContact CE-CB 4.27Å; M317-H321 HydrophobicContact CG-CB 4.21Å; F318-H321 WeakPolarHBondContact CB-ND1 3.42Å; F318-H321 AromaticContact CD2-CE1 3.66Å; F318-H321 AromaticContact CD2-ND1 3.74Å; F318-H321 AromaticContact CG-ND1 3.72Å; F318-H321 PolarHBondContact N-ND1 2.95Å; F318-H321 VanDerWaalsContact N-ND1 3.14Å; F318-H321 WeakPolarHBondContact O-CB 3.38Å; F318-H321 PolarHBondContact O-N 3.22Å; P319-H321 PolarHBondContact O-N 3.27Å; H321-L325 WeakPolarHBondContact O-CB 2.76Å; H321-L325 PolarHBondContact O-N 3.05Å; H321-C370 PolarHBondContact CD2-N 3.1Å; H321-C370 PolarHBondContact CD2-SG 2.92Å; H321-C370 PolarHBondContact CE1-SG 3.1Å; H321-C370 VanDerWaalsContact CG-SG 3.53Å; H321-C370 PolarHBondContact ND1-SG 3.29Å; H321-C370 PolarHBondContact NE2-N 3.26Å; H321-C370 VanDerWaalsContact NE2-N 3.19Å; H321-C370 PolarHBondContact NE2-SG 2.93Å; H321-C370 VanDerWaalsContact NE2-SG 3.4Å |
| 322 | L | 90.4 | Very high | 90 | Very high | 9 Ų | 9 | 32 Ų | 32 | 5% | 0.047 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.7 | -48 | 178.3 | -62.6 | 177.1 | 0 | 0 | 0 | 111.9 | H288 K292 I314 M317 F318 P319 L320 V324 L325 Y326 | H288-L322 HydrophobicContact CB-CD1 3.84Å; K292-L322 HydrophobicContact CB-CB 4.45Å; K292-L322 HydrophobicContact CB-CD1 4.47Å; I314-L322 HydrophobicContact CG2-CD2 4.5Å; M317-L322 HydrophobicContact SD-CD2 3.86Å; F318-L322 PolarHBondContact O-N 3.16Å; P319-L322 PolarHBondContact O-N 2.85Å; L320-L322 PolarHBondContact O-N 3.11Å; L322-V324 PolarHBondContact O-N 3.09Å; L322-L325 PolarHBondContact O-N 3.36Å; L322-Y326 HydrophobicContact CD2-CE2 4.44Å; L322-Y326 VanDerWaalsContact O-CD2 3.23Å; L322-Y326 WeakPolarHBondContact O-CD2 3.29Å; L322-Y326 PolarHBondContact O-N 2.98Å |
| 323 | A | 91.9 | Very high | 90 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -54.7 | -42.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A291 P319 L320 G327 F328 C331 L335 | A291-A323 HydrophobicContact CB-CB 4.05Å; A291-A323 WeakPolarHBondContact O-CA 3.41Å; P319-A323 PolarHBondContact O-N 3.21Å; L320-A323 PolarHBondContact O-N 3.16Å; A323-G327 PolarHBondContact O-N 3.32Å; A323-G327 VanDerWaalsContact O-N 3.1Å; A323-F328 PolarHBondContact O-N 3.2Å; A323-C331 HydrophobicContact CB-CB 4.01Å; A323-L335 HydrophobicContact CB-CD1 3.97Å |
| 324 | V | 91 | Very high | 90 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -74.9 | -41.4 | -178.3 | 168.8 | 0 | 0 | 0 | 0 | 111.9 | L320 L322 Y326 G327 C332 A374 C382 L386 | L320-V324 HydrophobicContact CD1-CG2 3.89Å; L320-V324 HydrophobicContact CG-CG2 4.25Å; L320-V324 WeakPolarHBondContact O-CB 3.28Å; L320-V324 VanDerWaalsContact O-CG2 3.26Å; L320-V324 WeakPolarHBondContact O-CG2 3.29Å; L320-V324 PolarHBondContact O-N 3.28Å; L322-V324 PolarHBondContact O-N 3.09Å; V324-Y326 VanDerWaalsContact C-N 3.28Å; V324-Y326 PolarHBondContact O-N 3.47Å; V324-G327 PolarHBondContact O-N 3.43Å; V324-G327 VanDerWaalsContact O-N 3.08Å; V324-C332 HydrophobicContact CG2-CB 4.02Å; V324-A374 HydrophobicContact CG1-CB 3.23Å; V324-C382 HydrophobicContact CG1-CB 4.26Å; V324-C382 HydrophobicContact CG2-CB 4.43Å; V324-L386 HydrophobicContact CG1-CD1 3.76Å; V324-L386 HydrophobicContact CG2-CD1 4.04Å |
| 325 | L | 89.4 | Confident | 90 | Very high | 52 Ų | 52 | 32.7 Ų | 32.7 | 27% | 0.272 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 176.7 | -178.1 | 63.1 | 0 | 0 | 0 | 112.1 | M317 H321 L322 G327 A373 G377 | M317-L325 HydrophobicContact CE-CD2 4.49Å; H321-L325 WeakPolarHBondContact O-CB 2.76Å; H321-L325 PolarHBondContact O-N 3.05Å; L322-L325 PolarHBondContact O-N 3.36Å; L325-G327 VanDerWaalsContact C-N 3.34Å; L325-A373 HydrophobicContact CB-CB 4.22Å; L325-A373 HydrophobicContact CD1-CB 4.5Å; L325-G377 WeakPolarHBondContact O-CA 3.45Å |
| 326 | Y | 87.8 | Confident | 89.8 | Confident | 112 Ų | 112 | 29.5 Ų | 29.5 | 44% | 0.439 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.4 | 177.6 | -68.8 | -75.3 | 0 | 0 | 0 | 113.5 | K292 L322 V324 F328 | K292-Y326 HydrophobicContact CB-CD2 4.35Å; K292-Y326 HydrophobicContact CB-CE2 4.26Å; K292-Y326 HydrophobicContact CD-CE2 4.08Å; K292-Y326 WeakPolarHBondContact CE-OH 3.4Å; K292-Y326 HydrophobicContact CG-CD2 3.98Å; K292-Y326 HydrophobicContact CG-CE2 3.59Å; L322-Y326 HydrophobicContact CD2-CE2 4.44Å; L322-Y326 VanDerWaalsContact O-CD2 3.23Å; L322-Y326 WeakPolarHBondContact O-CD2 3.29Å; L322-Y326 PolarHBondContact O-N 2.98Å; V324-Y326 VanDerWaalsContact C-N 3.28Å; V324-Y326 PolarHBondContact O-N 3.47Å; Y326-F328 VanDerWaalsContact CB-CE2 3.48Å; Y326-F328 HydrophobicContact CG-CE2 4.46Å |
| 327 | G | 88.3 | Confident | 89.3 | Confident | 18 Ų | 18 | 31.4 Ų | 31.4 | 19% | 0.186 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.6 | 33.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | A323 V324 L325 S329 N379 | A323-G327 PolarHBondContact O-N 3.32Å; A323-G327 VanDerWaalsContact O-N 3.1Å; V324-G327 PolarHBondContact O-N 3.43Å; V324-G327 VanDerWaalsContact O-N 3.08Å; L325-G327 VanDerWaalsContact C-N 3.34Å; G327-S329 PolarHBondContact O-N 3.41Å; G327-N379 PolarHBondContact O-ND2 3.04Å |
| 328 | F | 91.9 | Very high | 88.1 | Confident | 71 Ų | 71 | 31.5 Ų | 31.5 | 31% | 0.311 | 15% | 0.154 | S | C | . | . | trans | -92.2 | 91.8 | 174.9 | -60.9 | -65.1 | 0 | 0 | 0 | 111 | A291 K292 G294 A323 Y326 D330 C331 C332 | A291-F328 WeakPolarHBondContact O-CD2 3.12Å; K292-F328 VanDerWaalsContact O-CE2 3.3Å; K292-F328 WeakPolarHBondContact O-CE2 3.17Å; G294-F328 VanDerWaalsContact CA-CD2 3.47Å; G294-F328 VanDerWaalsContact CA-CG 3.41Å; A323-F328 PolarHBondContact O-N 3.2Å; Y326-F328 VanDerWaalsContact CB-CE2 3.48Å; Y326-F328 HydrophobicContact CG-CE2 4.46Å; F328-D330 PolarHBondContact O-N 3.31Å; F328-C331 HydrophobicContact CB-CB 3.81Å; F328-C331 PolarHBondContact O-N 3.08Å; F328-C332 WeakPolarHBondContact O-CB 3.35Å; F328-C332 PolarHBondContact O-N 3.41Å | ||
| 329 | S | 91 | Very high | 86.3 | Confident | 14 Ų | 14 | 31.6 Ų | 31.6 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -65.6 | -36.1 | -174.6 | 53.4 | 0 | 0 | 0 | 0 | 113.6 | G327 C332 R333 E381 C382 | G327-S329 PolarHBondContact O-N 3.41Å; S329-C332 WeakPolarHBondContact O-CB 3.25Å; S329-C332 PolarHBondContact O-N 2.93Å; S329-R333 WeakPolarHBondContact O-CB 3.5Å; S329-R333 PolarHBondContact O-N 2.88Å; S329-E381 WeakPolarHBondContact CB-OE2 3.16Å; S329-E381 PolarHBondContact OG-OE2 3.29Å; S329-C382 WeakPolarHBondContact CA-SG 3.48Å |
| 330 | D | 91 | Very high | 84.2 | Confident | 86 Ų | 86 | 36.9 Ų | 36.9 | 46% | 0.46 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -66.5 | -42.1 | 175.3 | -62.9 | -45.1 | 0 | 0 | 0 | 112.1 | E296 F328 R333 K334 | E296-D330 HydrophobicContact CG-CB 4.21Å; F328-D330 PolarHBondContact O-N 3.31Å; D330-R333 PolarHBondContact O-N 3.35Å; D330-K334 WeakPolarHBondContact O-CG 3.44Å; D330-K334 PolarHBondContact O-N 2.82Å |
| 331 | C | 90.6 | Very high | 81.8 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.8 | -43.5 | 174.7 | -65.8 | 0 | 0 | 0 | 0 | 111.2 | I299 A323 F328 K334 L335 | I299-C331 HydrophobicContact CD1-CB 3.58Å; I299-C331 WeakPolarHBondContact CD1-SG 3.46Å; A323-C331 HydrophobicContact CB-CB 4.01Å; F328-C331 HydrophobicContact CB-CB 3.81Å; F328-C331 PolarHBondContact O-N 3.08Å; C331-K334 PolarHBondContact O-N 3.47Å; C331-L335 WeakPolarHBondContact O-CB 3.29Å; C331-L335 VanDerWaalsContact O-CG 3.32Å; C331-L335 WeakPolarHBondContact O-CG 3.44Å; C331-L335 PolarHBondContact O-N 2.71Å |
| 332 | C | 90.1 | Very high | 79.5 | Confident | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -56.1 | -49.8 | 173.1 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | L320 V324 F328 S329 K334 L335 L336 | L320-C332 HydrophobicContact CD1-CB 4.34Å; V324-C332 HydrophobicContact CG2-CB 4.02Å; F328-C332 WeakPolarHBondContact O-CB 3.35Å; F328-C332 PolarHBondContact O-N 3.41Å; S329-C332 WeakPolarHBondContact O-CB 3.25Å; S329-C332 PolarHBondContact O-N 2.93Å; C332-K334 PolarHBondContact O-N 3.48Å; C332-L335 PolarHBondContact O-N 3.34Å; C332-L336 WeakPolarHBondContact O-CB 2.96Å; C332-L336 WeakPolarHBondContact O-CG 3.31Å; C332-L336 PolarHBondContact O-N 3.49Å |
| 333 | R | 89.1 | Confident | 76.9 | Confident | 121 Ų | 121 | 56.3 Ų | 56.3 | 46% | 0.457 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.8 | -46.1 | 178.1 | -174.7 | -175.9 | -57.3 | -74.2 | -1.5 | 112.1 | S329 D330 L336 S337 L385 | S329-R333 WeakPolarHBondContact O-CB 3.5Å; S329-R333 PolarHBondContact O-N 2.88Å; D330-R333 PolarHBondContact O-N 3.35Å; R333-L336 PolarHBondContact O-N 2.76Å; R333-S337 VanDerWaalsContact O-CB 3.32Å; R333-S337 WeakPolarHBondContact O-CB 3.45Å; R333-S337 PolarHBondContact O-N 2.81Å; R333-S337 PolarHBondContact O-OG 2.72Å; R333-L385 HydrophobicContact CB-CD1 4.32Å |
| 334 | K | 88.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.8 | -44.8 | 179.1 | -69.5 | -62.6 | -176.4 | -177.8 | 0 | 112.3 | E296 I299 D330 C331 C332 L336 S337 S338 | E296-K334 HydrophobicContact CG-CG 3.81Å; E296-K334 WeakPolarHBondContact OE1-CE 3.31Å; E296-K334 IonicContact OE1-NZ 3.73Å; I299-K334 HydrophobicContact CG2-CB 4.43Å; D330-K334 WeakPolarHBondContact O-CG 3.44Å; D330-K334 PolarHBondContact O-N 2.82Å; C331-K334 PolarHBondContact O-N 3.47Å; C332-K334 PolarHBondContact O-N 3.48Å; K334-L336 VanDerWaalsContact C-N 3.34Å; K334-L336 PolarHBondContact O-N 3Å; K334-S337 PolarHBondContact O-N 3.07Å; K334-S338 PolarHBondContact O-N 2.87Å |
| 335 | L | 87.2 | Confident | 71.8 | Confident | 1 Ų | 1 | 70.2 Ų | 70.2 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.4 | -38.5 | 178.3 | -73 | 172.3 | 0 | 0 | 0 | 111.9 | L287 A291 I299 M303 T309 P319 L320 A323 C331 C332 S338 | L287-L335 HydrophobicContact CD1-CD2 4.34Å; A291-L335 HydrophobicContact CB-CD1 4.27Å; I299-L335 HydrophobicContact CG2-CD2 3.89Å; I299-L335 HydrophobicContact CG2-CG 4.11Å; M303-L335 HydrophobicContact SD-CD2 4.02Å; T309-L335 HydrophobicContact CG2-CD2 4.36Å; P319-L335 HydrophobicContact CB-CD1 4.21Å; P319-L335 HydrophobicContact CB-CD2 4.43Å; L320-L335 HydrophobicContact CB-CD1 4.37Å; L320-L335 HydrophobicContact CD1-CB 3.98Å; L320-L335 HydrophobicContact CD1-CD1 4.39Å; A323-L335 HydrophobicContact CB-CD1 3.97Å; C331-L335 WeakPolarHBondContact O-CB 3.29Å; C331-L335 VanDerWaalsContact O-CG 3.32Å; C331-L335 WeakPolarHBondContact O-CG 3.44Å; C331-L335 PolarHBondContact O-N 2.71Å; C332-L335 PolarHBondContact O-N 3.34Å; L335-S338 WeakPolarHBondContact O-CB 2.86Å; L335-S338 PolarHBondContact O-N 3.37Å; L335-S338 PolarHBondContact O-OG 3.48Å |
| 336 | L | 84.4 | Confident | 69.2 | Low | 28 Ų | 28 | 72.2 Ų | 72.2 | 15% | 0.147 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.3 | -39.5 | 172.8 | -71.1 | 172.5 | 0 | 0 | 0 | 112.4 | L320 C332 R333 K334 S338 I360 L385 L386 | L320-L336 HydrophobicContact CD1-CD2 4.49Å; L320-L336 HydrophobicContact CD1-CG 4.23Å; L320-L336 HydrophobicContact CD2-CD2 3.74Å; L320-L336 HydrophobicContact CD2-CG 4.37Å; C332-L336 WeakPolarHBondContact O-CB 2.96Å; C332-L336 WeakPolarHBondContact O-CG 3.31Å; C332-L336 PolarHBondContact O-N 3.49Å; R333-L336 PolarHBondContact O-N 2.76Å; K334-L336 VanDerWaalsContact C-N 3.34Å; K334-L336 PolarHBondContact O-N 3Å; L336-S338 PolarHBondContact O-N 3.36Å; L336-I360 HydrophobicContact CD2-CD1 3.81Å; L336-I360 HydrophobicContact CD2-CG1 4.27Å; L336-L385 HydrophobicContact CD1-CB 4.28Å; L336-L386 HydrophobicContact CD1-CD2 4.38Å; L336-L386 HydrophobicContact CD2-CD2 4.33Å |
| 337 | S | 78.2 | Confident | 66.7 | Low | 46 Ų | 46 | 72.4 Ų | 72.4 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -69.3 | -20.6 | 179.2 | -54.9 | 0 | 0 | 0 | 0 | 113.1 | R333 K334 G339 Q340 | R333-S337 VanDerWaalsContact O-CB 3.32Å; R333-S337 WeakPolarHBondContact O-CB 3.45Å; R333-S337 PolarHBondContact O-N 2.81Å; R333-S337 PolarHBondContact O-OG 2.72Å; K334-S337 PolarHBondContact O-N 3.07Å; S337-G339 PolarHBondContact O-N 2.79Å; S337-G339 VanDerWaalsContact O-N 3.14Å; S337-Q340 WeakPolarHBondContact O-CB 3.45Å; S337-Q340 PolarHBondContact O-N 3.08Å |
| 338 | S | 64.6 | Low | 64.2 | Low | 13 Ų | 13 | 79.5 Ų | 79.5 | 9% | 0.091 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -57 | -27.3 | 179.7 | 75.2 | 0 | 0 | 0 | 0 | 114.1 | K334 L335 L336 Q340 | K334-S338 PolarHBondContact O-N 2.87Å; L335-S338 WeakPolarHBondContact O-CB 2.86Å; L335-S338 PolarHBondContact O-N 3.37Å; L335-S338 PolarHBondContact O-OG 3.48Å; L336-S338 PolarHBondContact O-N 3.36Å; S338-Q340 VanDerWaalsContact C-N 3.29Å; S338-Q340 PolarHBondContact O-N 3.29Å |
| 339 | G | 52.8 | Low | 61.5 | Low | 11 Ų | 11 | 80.5 Ų | 80.5 | 11% | 0.113 | 44% | 0.438 | C | S | . | . | G | 310 helix | trans | -63.7 | -29.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S337 L341 S355 A356 | S337-G339 PolarHBondContact O-N 2.79Å; S337-G339 VanDerWaalsContact O-N 3.14Å; G339-L341 PolarHBondContact O-N 3.23Å; G339-S355 CarbonylContact C-O 3.2Å; G339-S355 WeakPolarHBondContact CA-O 3.41Å; G339-S355 VanDerWaalsContact O-O 3.07Å; G339-A356 VanDerWaalsContact CA-CA 3.43Å |
| 340 | Q | 48.4 | Very low | 58.7 | Low | 111 Ų | 111 | 90.3 Ų | 90.3 | 52% | 0.519 | 48% | 0.479 | S | S | . | . | G | 310 helix | trans | -77.1 | -22.8 | -172.6 | -67 | 172.4 | -14.8 | 0 | 0 | 112.6 | S337 S338 S343 L354 | S337-Q340 WeakPolarHBondContact O-CB 3.45Å; S337-Q340 PolarHBondContact O-N 3.08Å; S338-Q340 VanDerWaalsContact C-N 3.29Å; S338-Q340 PolarHBondContact O-N 3.29Å; Q340-S343 PolarHBondContact O-N 2.9Å; Q340-L354 HydrophobicContact CG-CD2 4.38Å |
| 341 | L | 41.4 | Very low | 55.9 | Low | 126 Ų | 126 | 93.5 Ų | 93.5 | 66% | 0.66 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -75.5 | -23.9 | -172.9 | -76.8 | 170.4 | 0 | 0 | 0 | 114.4 | G339 | G339-L341 PolarHBondContact O-N 3.23Š|
| 342 | Y | 42.4 | Very low | 53.2 | Low | 208 Ų | 208 | 102.8 Ų | 102.8 | 82% | 0.816 | 53% | 0.534 | S | S | * | . | G | 310 helix | trans | -88.7 | -1.7 | 176.4 | -76.9 | -78.8 | 0 | 0 | 0 | 114 | I344 | Y342-I344 PolarHBondContact O-N 2.88Š|
| 343 | S | 36.3 | Very low | 50.7 | Low | 84 Ų | 84 | 108 Ų | 108 | 59% | 0.587 | 57% | 0.566 | S | S | * | * | trans | -88.2 | 10.3 | -174.7 | -175.1 | 0 | 0 | 0 | 0 | 115.2 | Q340 V345 | Q340-S343 PolarHBondContact O-N 2.9Å; S343-V345 PolarHBondContact O-N 3.03Å; S343-V345 VanDerWaalsContact O-N 3.12Å | ||
| 344 | I | 36 | Very low | 48.2 | Very low | 149 Ų | 149 | 106.9 Ų | 106.9 | 76% | 0.764 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.8 | 7.7 | -176.4 | -38.1 | 178.9 | 0 | 0 | 0 | 112.9 | Y342 | Y342-I344 PolarHBondContact O-N 2.88Š|
| 345 | V | 39 | Very low | 45.9 | Very low | 144 Ų | 144 | 107 Ų | 107 | 87% | 0.873 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136 | 64.1 | 170.6 | -163.6 | 0 | 0 | 0 | 0 | 112.1 | S343 | S343-V345 PolarHBondContact O-N 3.03Å; S343-V345 VanDerWaalsContact O-N 3.12Å |
| 346 | S | 34.3 | Very low | 44.1 | Very low | 94 Ų | 94 | 107.1 Ų | 107.1 | 66% | 0.657 | 58% | 0.58 | S | S | * | * | trans | -160.1 | 90.6 | 150 | -161.2 | 0 | 0 | 0 | 0 | 110.9 | M348 | S346-M348 VanDerWaalsContact C-N 3.34Å; S346-M348 PolarHBondContact O-N 2.8Å | ||
| 347 | S | 36.4 | Very low | 42.8 | Very low | 115 Ų | 115 | 108.7 Ų | 108.7 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | trans | -89.5 | 33.4 | -174.3 | 63.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 348 | M | 34.8 | Very low | 42.3 | Very low | 167 Ų | 167 | 107.4 Ų | 107.4 | 82% | 0.823 | 59% | 0.591 | S | S | * | * | trans | -140.3 | 35.8 | -168.6 | -71.4 | -91.7 | 72.5 | 0 | 0 | 116.8 | S346 | S346-M348 VanDerWaalsContact C-N 3.34Å; S346-M348 PolarHBondContact O-N 2.8Å | ||
| 349 | S | 34.3 | Very low | 43.1 | Very low | 93 Ų | 93 | 111.4 Ų | 111.4 | 65% | 0.65 | 61% | 0.612 | S | S | * | * | trans | -153.4 | 123.2 | 161.9 | 49.9 | 0 | 0 | 0 | 0 | 112.1 | E351 | S349-E351 PolarHBondContact O-N 2.92Š| ||
| 350 | K | 32.5 | Very low | 44.4 | Very low | 220 Ų | 220 | 111.5 Ų | 111.5 | 96% | 0.957 | 61% | 0.61 | S | S | * | * | trans | -75.3 | 61.2 | 173.5 | -77.1 | -178.6 | 174.6 | 176.8 | 0 | 111.3 | ||||
| 351 | E | 33.8 | Very low | 46.2 | Very low | 153 Ų | 153 | 107.7 Ų | 107.7 | 72% | 0.715 | 59% | 0.593 | S | S | * | * | trans | -132.6 | 114.6 | 162.4 | -73.3 | -173.6 | 170.5 | 0 | 0 | 107.2 | S349 V353 | S349-E351 PolarHBondContact O-N 2.92Å; E351-V353 HydrophobicContact CB-CG2 4.24Å; E351-V353 PolarHBondContact O-N 3.46Å | ||
| 352 | H | 33.5 | Very low | 48.4 | Very low | 196 Ų | 196 | 102.9 Ų | 102.9 | 91% | 0.907 | 57% | 0.569 | S | S | * | * | trans | -74.1 | 75.3 | 174.3 | -68.9 | 104.6 | 0 | 0 | 0 | 109 | L354 | H352-L354 PolarHBondContact O-N 3.42Š| ||
| 353 | V | 37.3 | Very low | 50.6 | Low | 111 Ų | 111 | 95.8 Ų | 95.8 | 67% | 0.673 | 55% | 0.548 | S | S | * | . | trans | -85.5 | 105.1 | 168.4 | -176.5 | 0 | 0 | 0 | 0 | 107.2 | E351 S355 | E351-V353 HydrophobicContact CB-CG2 4.24Å; E351-V353 PolarHBondContact O-N 3.46Å; V353-S355 PolarHBondContact O-N 3.36Å | ||
| 354 | L | 37.4 | Very low | 53.2 | Low | 96 Ų | 96 | 92.1 Ų | 92.1 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | trans | -67.8 | 77.9 | 170.1 | -70.5 | 164.2 | 0 | 0 | 0 | 108.8 | Q340 H352 A356 | Q340-L354 HydrophobicContact CG-CD2 4.38Å; H352-L354 PolarHBondContact O-N 3.42Å; L354-A356 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact O-N 3.08Å | ||
| 355 | S | 38.5 | Very low | 55.8 | Low | 80 Ų | 80 | 90 Ų | 90 | 56% | 0.559 | 51% | 0.512 | S | S | * | . | trans | -78.9 | 92.7 | 176.9 | -175 | 0 | 0 | 0 | 0 | 109.2 | G339 V353 | G339-S355 CarbonylContact C-O 3.2Å; G339-S355 WeakPolarHBondContact CA-O 3.41Å; G339-S355 VanDerWaalsContact O-O 3.07Å; V353-S355 PolarHBondContact O-N 3.36Å | ||
| 356 | A | 49.5 | Very low | 58.2 | Low | 4 Ų | 4 | 86.7 Ų | 86.7 | 3% | 0.033 | 49% | 0.486 | C | S | . | . | trans | -45.5 | 149.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 108 | G339 L354 F358 | G339-A356 VanDerWaalsContact CA-CA 3.43Å; L354-A356 PolarHBondContact O-N 2.9Å; L354-A356 VanDerWaalsContact O-N 3.08Å; A356-F358 HydrophobicContact CB-CD1 4.16Å; A356-F358 HydrophobicContact CB-CD2 4.38Å; A356-F358 HydrophobicContact CB-CE1 3.92Å; A356-F358 HydrophobicContact CB-CE2 4.16Å; A356-F358 HydrophobicContact CB-CG 4.38Å; A356-F358 HydrophobicContact CB-CZ 3.92Å; A356-F358 PolarHBondContact O-N 3.4Å | ||
| 357 | G | 57.2 | Low | 60.8 | Low | 61 Ų | 61 | 83.1 Ų | 83.1 | 63% | 0.629 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -61.1 | 8.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 358 | F | 68.6 | Low | 63.4 | Low | 19 Ų | 19 | 79.5 Ų | 79.5 | 8% | 0.083 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -147.1 | 151.7 | 179.6 | 55.8 | -89.2 | 0 | 0 | 0 | 109.7 | A310 F318 L320 A356 I360 | A310-F358 HydrophobicContact CB-CB 3.82Å; A310-F358 HydrophobicContact CB-CD1 4.36Å; A310-F358 HydrophobicContact CB-CG 4.49Å; F318-F358 AromaticContact CD2-CD2 3.95Å; F318-F358 HydrophobicContact CD2-CD2 3.95Å; F318-F358 HydrophobicContact CD2-CE2 4.39Å; F318-F358 HydrophobicContact CD2-CG 4.39Å; F318-F358 HydrophobicContact CE2-CB 4.14Å; F318-F358 AromaticContact CE2-CD2 3.98Å; F318-F358 HydrophobicContact CE2-CD2 3.98Å; F318-F358 HydrophobicContact CE2-CG 4.28Å; L320-F358 HydrophobicContact CB-CE2 4.45Å; L320-F358 HydrophobicContact CB-CZ 4.19Å; L320-F358 HydrophobicContact CD2-CE2 3.69Å; L320-F358 HydrophobicContact CD2-CZ 3.82Å; A356-F358 HydrophobicContact CB-CD1 4.16Å; A356-F358 HydrophobicContact CB-CD2 4.38Å; A356-F358 HydrophobicContact CB-CE1 3.92Å; A356-F358 HydrophobicContact CB-CE2 4.16Å; A356-F358 HydrophobicContact CB-CG 4.38Å; A356-F358 HydrophobicContact CB-CZ 3.92Å; A356-F358 PolarHBondContact O-N 3.4Å; F358-I360 HydrophobicContact CE2-CG1 4.42Å; F358-I360 PolarHBondContact O-N 3.23Å |
| 359 | D | 79.7 | Confident | 66.1 | Low | 98 Ų | 98 | 71.7 Ų | 71.7 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | trans | -71.6 | 122.4 | 169.4 | 175.1 | 11 | 0 | 0 | 0 | 109.8 | N361 T362 | D359-N361 PolarHBondContact O-N 2.98Å; D359-N361 WeakPolarHBondContact OD1-CB 3.2Å; D359-N361 PolarHBondContact OD1-N 3.45Å; D359-T362 VanDerWaalsContact O-CB 3.24Å; D359-T362 WeakPolarHBondContact O-CB 3.31Å; D359-T362 PolarHBondContact O-N 2.81Å; D359-T362 PolarHBondContact O-OG1 3.47Å | ||
| 360 | I | 82.1 | Confident | 68.8 | Low | 13 Ų | 13 | 67.2 Ų | 67.2 | 7% | 0.067 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -26.1 | -178.5 | -56.7 | 170.6 | 0 | 0 | 0 | 111.2 | L336 F358 T362 L386 S389 T391 | L336-I360 HydrophobicContact CD2-CD1 3.81Å; L336-I360 HydrophobicContact CD2-CG1 4.27Å; F358-I360 HydrophobicContact CE2-CG1 4.42Å; F358-I360 PolarHBondContact O-N 3.23Å; I360-T362 VanDerWaalsContact C-N 3.26Å; I360-T362 PolarHBondContact O-N 3.23Å; I360-L386 HydrophobicContact CG2-CD2 3.86Å; I360-S389 WeakPolarHBondContact CD1-OG 3.48Å; I360-T391 HydrophobicContact CG2-CG2 3.58Å |
| 361 | N | 85.4 | Confident | 71.6 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.16 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | 3.5 | 178.1 | -62.3 | -60.4 | 0 | 0 | 0 | 113.4 | D359 P363 T391 D392 | D359-N361 PolarHBondContact O-N 2.98Å; D359-N361 WeakPolarHBondContact OD1-CB 3.2Å; D359-N361 PolarHBondContact OD1-N 3.45Å; N361-P363 WeakPolarHBondContact O-CD 3.44Å; N361-T391 WeakPolarHBondContact OD1-CA 3.39Å; N361-D392 PolarHBondContact OD1-N 2.86Å |
| 362 | T | 86.6 | Confident | 74.4 | Confident | 26 Ų | 26 | 49.5 Ų | 49.5 | 16% | 0.16 | 28% | 0.284 | C | S | . | . | trans | -62.5 | 122.1 | 175.6 | -55.8 | 0 | 0 | 0 | 0 | 109.7 | F318 D359 I360 | F318-T362 HydrophobicContact CE2-CG2 3.92Å; F318-T362 HydrophobicContact CZ-CG2 3.65Å; D359-T362 VanDerWaalsContact O-CB 3.24Å; D359-T362 WeakPolarHBondContact O-CB 3.31Å; D359-T362 PolarHBondContact O-N 2.81Å; D359-T362 PolarHBondContact O-OG1 3.47Å; I360-T362 VanDerWaalsContact C-N 3.26Å; I360-T362 PolarHBondContact O-N 3.23Å | ||
| 363 | P | 89.7 | Confident | 77.1 | Confident | 58 Ų | 58 | 40.6 Ų | 40.6 | 38% | 0.377 | 24% | 0.244 | S | C | . | . | trans | -78.4 | 154 | 178.8 | 30.4 | -33.5 | 0 | 0 | 0 | 112.3 | N361 G367 R368 | N361-P363 WeakPolarHBondContact O-CD 3.44Å; P363-G367 VanDerWaalsContact CB-C 3.48Å; P363-R368 CarbonylContact C-O 3.56Å; P363-R368 WeakPolarHBondContact CA-O 3.43Å | ||
| 364 | D | 89.9 | Confident | 79.7 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | trans | -71.5 | -176.8 | 164.2 | 77.7 | -2.3 | 0 | 0 | 0 | 111.8 | M317 F366 G367 R368 | M317-D364 HydrophobicContact CG-CB 4.04Å; D364-F366 PolarHBondContact O-N 3.31Å; D364-F366 VanDerWaalsContact OD1-CA 3.31Å; D364-F366 WeakPolarHBondContact OD1-CA 3.21Å; D364-F366 WeakPolarHBondContact OD1-CB 3.31Å; D364-F366 PolarHBondContact OD1-N 3.2Å; D364-G367 PolarHBondContact O-N 3.16Å; D364-G367 PolarHBondContact OD1-N 3.04Å; D364-R368 PolarHBondContact N-O 3.43Å; D364-R368 WeakPolarHBondContact OD1-CB 3.44Å; D364-R368 PolarHBondContact OD1-N 3.01Å; D364-R368 IonicContact OD1-NE 2.58Å; D364-R368 IonicContact OD2-CZ 3.97Å; D364-R368 IonicContact OD2-NE 3.09Å; D364-R368 PolarHBondContact OD2-NE 3.43Å; D364-R368 IonicContact OD2-NH2 3.67Å; D364-R368 PolarHBondContact OD2-NH2 2.81Å | ||
| 365 | N | 90.9 | Very high | 82.3 | Confident | 106 Ų | 106 | 30.7 Ų | 30.7 | 57% | 0.567 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -13.1 | 179.8 | -67.3 | -7.7 | 0 | 0 | 0 | 113.9 | H315 G316 | H315-N365 VanDerWaalsContact C-CG 3.41Å; H315-N365 VanDerWaalsContact C-ND2 3.28Å; H315-N365 WeakPolarHBondContact O-CB 3.3Å; H315-N365 PolarHBondContact O-N 3.32Å; H315-N365 PolarHBondContact O-ND2 3.34Å; G316-N365 PolarHBondContact N-ND2 2.99Å |
| 366 | F | 89.4 | Confident | 84.7 | Confident | 74 Ų | 74 | 28.3 Ų | 28.3 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 9.5 | 176.8 | -55.9 | -76.7 | 0 | 0 | 0 | 112.7 | H315 D364 R368 I398 | H315-F366 HydrophobicContact CB-CD2 4.3Å; H315-F366 HydrophobicContact CB-CE2 3.7Å; H315-F366 AromaticContact CG-CE2 3.64Å; H315-F366 AromaticContact ND1-CE2 3.74Å; H315-F366 AromaticContact ND1-CZ 3.87Å; D364-F366 PolarHBondContact O-N 3.31Å; D364-F366 VanDerWaalsContact OD1-CA 3.31Å; D364-F366 WeakPolarHBondContact OD1-CA 3.21Å; D364-F366 WeakPolarHBondContact OD1-CB 3.31Å; D364-F366 PolarHBondContact OD1-N 3.2Å; F366-R368 HydrophobicContact CB-CG 4.12Å; F366-R368 PolarHBondContact O-N 3.47Å; F366-I398 HydrophobicContact CB-CD1 4.46Å; F366-I398 HydrophobicContact CD1-CD1 4.19Å; F366-I398 WeakPolarHBondContact O-CG1 3.44Å; F366-I398 WeakPolarHBondContact O-CG2 3.09Å; F366-I398 PolarHBondContact O-N 3.37Å |
| 367 | G | 88.8 | Confident | 86.3 | Confident | 18 Ų | 18 | 29 Ų | 29 | 19% | 0.186 | 18% | 0.178 | C | C | . | . | S | Bend | trans | 78.5 | 5.8 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P363 D364 | P363-G367 VanDerWaalsContact CB-C 3.48Å; D364-G367 PolarHBondContact O-N 3.16Å; D364-G367 PolarHBondContact OD1-N 3.04Å |
| 368 | R | 91.1 | Very high | 87.5 | Confident | 40 Ų | 40 | 27.2 Ų | 27.2 | 15% | 0.151 | 16% | 0.16 | C | C | . | . | trans | -88.4 | 132.4 | -175.2 | -57.6 | 175.2 | -59 | -174.6 | 3 | 110.2 | P363 D364 F366 H372 D397 Y406 | P363-R368 CarbonylContact C-O 3.56Å; P363-R368 WeakPolarHBondContact CA-O 3.43Å; D364-R368 PolarHBondContact N-O 3.43Å; D364-R368 WeakPolarHBondContact OD1-CB 3.44Å; D364-R368 PolarHBondContact OD1-N 3.01Å; D364-R368 IonicContact OD1-NE 2.58Å; D364-R368 IonicContact OD2-CZ 3.97Å; D364-R368 IonicContact OD2-NE 3.09Å; D364-R368 PolarHBondContact OD2-NE 3.43Å; D364-R368 IonicContact OD2-NH2 3.67Å; D364-R368 PolarHBondContact OD2-NH2 2.81Å; F366-R368 HydrophobicContact CB-CG 4.12Å; F366-R368 PolarHBondContact O-N 3.47Å; R368-H372 HydrophobicContact CB-CB 3.93Å; R368-H372 HydrophobicContact CG-CB 4.48Å; R368-D397 HydrophobicContact CG-CB 3.86Å; R368-Y406 WeakPolarHBondContact CD-OH 3.42Å | ||
| 369 | T | 92.4 | Very high | 88.5 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | trans | -86.4 | 170.9 | 174.2 | 65.2 | 0 | 0 | 0 | 0 | 111.9 | L371 H372 A373 K395 | T369-L371 PolarHBondContact O-N 2.92Å; T369-L371 VanDerWaalsContact O-N 3.13Å; T369-L371 PolarHBondContact OG1-N 3.08Å; T369-H372 PolarHBondContact N-ND1 3.45Å; T369-H372 VanDerWaalsContact N-ND1 3.13Å; T369-H372 WeakPolarHBondContact O-CB 3.33Å; T369-H372 PolarHBondContact O-N 2.93Å; T369-H372 PolarHBondContact OG1-ND1 3.33Å; T369-A373 PolarHBondContact O-N 3.16Å; T369-K395 HydrophobicContact CG2-CB 3.86Å; T369-K395 HydrophobicContact CG2-CG 4.12Å | ||
| 370 | C | 89.9 | Confident | 89 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -54.1 | -31.4 | 171 | -73.9 | 0 | 0 | 0 | 0 | 112.3 | L320 H321 A373 A374 L386 | L320-C370 HydrophobicContact CD2-CB 4.5Å; H321-C370 PolarHBondContact CD2-N 3.1Å; H321-C370 PolarHBondContact CD2-SG 2.92Å; H321-C370 PolarHBondContact CE1-SG 3.1Å; H321-C370 VanDerWaalsContact CG-SG 3.53Å; H321-C370 PolarHBondContact ND1-SG 3.29Å; H321-C370 PolarHBondContact NE2-N 3.26Å; H321-C370 VanDerWaalsContact NE2-N 3.19Å; H321-C370 PolarHBondContact NE2-SG 2.93Å; H321-C370 VanDerWaalsContact NE2-SG 3.4Å; C370-A373 WeakPolarHBondContact O-CB 3.21Å; C370-A373 PolarHBondContact O-N 2.92Å; C370-A374 PolarHBondContact O-N 2.98Å; C370-L386 HydrophobicContact CB-CD1 4.12Å; C370-L386 HydrophobicContact CB-CD2 4.1Å |
| 371 | L | 92.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -68.1 | -37.8 | 177.8 | -169.1 | 69.6 | 0 | 0 | 0 | 112.5 | T369 A373 A374 A375 L383 L386 L387 L393 P403 L419 | T369-L371 PolarHBondContact O-N 2.92Å; T369-L371 VanDerWaalsContact O-N 3.13Å; T369-L371 PolarHBondContact OG1-N 3.08Å; L371-A373 VanDerWaalsContact C-N 3.33Å; L371-A374 WeakPolarHBondContact O-CB 3.38Å; L371-A374 PolarHBondContact O-N 3.42Å; L371-A375 WeakPolarHBondContact O-CB 3.13Å; L371-A375 PolarHBondContact O-N 2.84Å; L371-L383 HydrophobicContact CD1-CD1 3.5Å; L371-L383 HydrophobicContact CD1-CG 4.43Å; L371-L383 HydrophobicContact CG-CD1 4.4Å; L371-L386 HydrophobicContact CD1-CB 4.37Å; L371-L387 HydrophobicContact CD1-CD2 3.94Å; L371-L387 HydrophobicContact CD1-CG 4.26Å; L371-L387 HydrophobicContact CD2-CD2 4.43Å; L371-L393 HydrophobicContact CD2-CD2 3.66Å; L371-P403 HydrophobicContact CB-CG 4.28Å; L371-P403 HydrophobicContact CD2-CB 4.15Å; L371-P403 HydrophobicContact CD2-CG 3.68Å; L371-P403 HydrophobicContact CG-CB 4.01Å; L371-P403 HydrophobicContact CG-CG 3.9Å; L371-L419 HydrophobicContact CD1-CD2 4.35Å; L371-L419 HydrophobicContact CD2-CD2 4.33Å; L371-L419 HydrophobicContact CG-CD2 4.41Å |
| 372 | H | 92 | Very high | 89.6 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -63.2 | -42.2 | 172.5 | -67.2 | 81.4 | 0 | 0 | 0 | 111.2 | R368 T369 A374 A375 S376 K395 R401 P403 Y406 | R368-H372 HydrophobicContact CB-CB 3.93Å; R368-H372 HydrophobicContact CG-CB 4.48Å; T369-H372 PolarHBondContact N-ND1 3.45Å; T369-H372 VanDerWaalsContact N-ND1 3.13Å; T369-H372 WeakPolarHBondContact O-CB 3.33Å; T369-H372 PolarHBondContact O-N 2.93Å; T369-H372 PolarHBondContact OG1-ND1 3.33Å; H372-A374 VanDerWaalsContact C-N 3.33Å; H372-A374 PolarHBondContact O-N 3.38Å; H372-A375 PolarHBondContact O-N 3.18Å; H372-S376 WeakPolarHBondContact O-CB 2.96Å; H372-S376 PolarHBondContact O-N 2.72Å; H372-K395 PolarHBondContact CE1-O 3Å; H372-K395 PolarHBondContact NE2-O 2.68Å; H372-R401 PolarHBondContact NE2-O 3.25Å; H372-P403 WeakPolarHBondContact NE2-CD 3.39Å; H372-Y406 AromaticContact CD2-CD2 3.71Å; H372-Y406 AromaticContact CD2-CE2 3.7Å |
| 373 | A | 90.7 | Very high | 89.8 | Confident | 8 Ų | 8 | 27.4 Ų | 27.4 | 7% | 0.066 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L325 T369 C370 L371 S376 G377 | L325-A373 HydrophobicContact CB-CB 4.22Å; L325-A373 HydrophobicContact CD1-CB 4.5Å; T369-A373 PolarHBondContact O-N 3.16Å; C370-A373 WeakPolarHBondContact O-CB 3.21Å; C370-A373 PolarHBondContact O-N 2.92Å; L371-A373 VanDerWaalsContact C-N 3.33Å; A373-S376 PolarHBondContact O-N 2.75Å; A373-G377 PolarHBondContact O-N 3.15Å |
| 374 | A | 91 | Very high | 89.9 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.2 | -49.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V324 C370 L371 H372 S376 G377 G378 L383 L386 | V324-A374 HydrophobicContact CG1-CB 3.23Å; C370-A374 PolarHBondContact O-N 2.98Å; L371-A374 WeakPolarHBondContact O-CB 3.38Å; L371-A374 PolarHBondContact O-N 3.42Å; H372-A374 VanDerWaalsContact C-N 3.33Å; H372-A374 PolarHBondContact O-N 3.38Å; A374-S376 PolarHBondContact O-N 3.04Å; A374-G377 PolarHBondContact O-N 3.11Å; A374-G377 VanDerWaalsContact O-N 3.13Å; A374-G378 PolarHBondContact O-N 3.21Å; A374-L383 HydrophobicContact CB-CB 4.27Å; A374-L383 HydrophobicContact CB-CD1 3.64Å; A374-L386 HydrophobicContact CB-CD1 3.78Å |
| 375 | A | 91.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59 | -37.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L371 H372 P403 A407 L419 | L371-A375 WeakPolarHBondContact O-CB 3.13Å; L371-A375 PolarHBondContact O-N 2.84Å; H372-A375 PolarHBondContact O-N 3.18Å; A375-P403 HydrophobicContact CB-CB 4.11Å; A375-P403 WeakPolarHBondContact CB-O 3.43Å; A375-A407 HydrophobicContact CB-CB 4.09Å; A375-A407 WeakPolarHBondContact O-CA 3.32Å; A375-L419 HydrophobicContact CB-CD1 4Å |
| 376 | S | 89.4 | Confident | 89.7 | Confident | 29 Ų | 29 | 24.4 Ų | 24.4 | 20% | 0.203 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72 | -41 | 174.1 | -167.2 | 0 | 0 | 0 | 0 | 113 | H372 A373 A374 N410 | H372-S376 WeakPolarHBondContact O-CB 2.96Å; H372-S376 PolarHBondContact O-N 2.72Å; A373-S376 PolarHBondContact O-N 2.75Å; A374-S376 PolarHBondContact O-N 3.04Å; S376-N410 PolarHBondContact OG-ND2 2.98Å; S376-N410 VanDerWaalsContact OG-ND2 3.14Å |
| 377 | G | 82.6 | Confident | 89.7 | Confident | 19 Ų | 19 | 22.8 Ų | 22.8 | 20% | 0.196 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -67.5 | -35.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | L325 A373 A374 R412 | L325-G377 WeakPolarHBondContact O-CA 3.45Å; A373-G377 PolarHBondContact O-N 3.15Å; A374-G377 PolarHBondContact O-N 3.11Å; A374-G377 VanDerWaalsContact O-N 3.13Å; G377-R412 PolarHBondContact O-NH2 3.12Å |
| 378 | G | 84.4 | Confident | 89.6 | Confident | 24 Ų | 24 | 26.2 Ų | 26.2 | 25% | 0.247 | 16% | 0.155 | C | C | . | . | trans | 89.6 | 2.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A374 V380 C415 | A374-G378 PolarHBondContact O-N 3.21Å; G378-V380 PolarHBondContact O-N 2.81Å; G378-C415 VanDerWaalsContact CA-SG 3.58Å; G378-C415 PolarHBondContact O-SG 3.4Å | ||
| 379 | N | 88.3 | Confident | 89.1 | Confident | 37 Ų | 37 | 25.5 Ų | 25.5 | 20% | 0.198 | 16% | 0.156 | C | C | . | . | trans | -83.9 | 110.3 | 174.4 | -174.5 | -41 | 0 | 0 | 0 | 110.7 | G327 E381 C382 L383 | G327-N379 PolarHBondContact O-ND2 3.04Å; N379-E381 WeakPolarHBondContact OD1-CA 3.39Å; N379-E381 WeakPolarHBondContact OD1-CB 3.42Å; N379-E381 PolarHBondContact OD1-N 3.43Å; N379-C382 HydrophobicContact CB-CB 4.13Å; N379-C382 VanDerWaalsContact CG-SG 3.58Å; N379-C382 WeakPolarHBondContact O-CB 3.38Å; N379-C382 PolarHBondContact O-N 3.33Å; N379-C382 PolarHBondContact OD1-N 2.89Å; N379-L383 PolarHBondContact O-N 3.08Å; N379-L383 VanDerWaalsContact O-N 3.09Å | ||
| 380 | V | 90.4 | Very high | 88.5 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 23% | 0.23 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -68.6 | -33.8 | -177.7 | -173.5 | 0 | 0 | 0 | 0 | 112.3 | G378 L383 N384 Q414 A418 | G378-V380 PolarHBondContact O-N 2.81Å; V380-L383 WeakPolarHBondContact O-CB 3.36Å; V380-L383 PolarHBondContact O-N 3.21Å; V380-N384 WeakPolarHBondContact O-CB 3.42Å; V380-N384 VanDerWaalsContact O-CG 3.25Å; V380-N384 PolarHBondContact O-N 3.2Å; V380-N384 PolarHBondContact O-ND2 3.41Å; V380-Q414 HydrophobicContact CB-CB 4.49Å; V380-Q414 HydrophobicContact CG2-CB 3.17Å; V380-Q414 HydrophobicContact CG2-CG 4.24Å; V380-A418 HydrophobicContact CG1-CB 4.43Å |
| 381 | E | 90.2 | Very high | 88.2 | Confident | 115 Ų | 115 | 28.9 Ų | 28.9 | 54% | 0.537 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.7 | -44.2 | 176.4 | -58.5 | -177 | 164.6 | 0 | 0 | 110.5 | S329 N379 L383 N384 L385 | S329-E381 WeakPolarHBondContact CB-OE2 3.16Å; S329-E381 PolarHBondContact OG-OE2 3.29Å; N379-E381 WeakPolarHBondContact OD1-CA 3.39Å; N379-E381 WeakPolarHBondContact OD1-CB 3.42Å; N379-E381 PolarHBondContact OD1-N 3.43Å; E381-L383 VanDerWaalsContact C-N 3.29Å; E381-L383 PolarHBondContact O-N 3.48Å; E381-N384 PolarHBondContact O-N 3.25Å; E381-L385 WeakPolarHBondContact O-CB 3.42Å; E381-L385 WeakPolarHBondContact O-CG 3.32Å; E381-L385 PolarHBondContact O-N 2.97Å |
| 382 | C | 89.9 | Confident | 87.8 | Confident | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.6 | -44 | 174.5 | -68.1 | 0 | 0 | 0 | 0 | 111 | V324 S329 N379 L385 L386 | V324-C382 HydrophobicContact CG1-CB 4.26Å; V324-C382 HydrophobicContact CG2-CB 4.43Å; S329-C382 WeakPolarHBondContact CA-SG 3.48Å; N379-C382 HydrophobicContact CB-CB 4.13Å; N379-C382 VanDerWaalsContact CG-SG 3.58Å; N379-C382 WeakPolarHBondContact O-CB 3.38Å; N379-C382 PolarHBondContact O-N 3.33Å; N379-C382 PolarHBondContact OD1-N 2.89Å; C382-L385 PolarHBondContact O-N 3.49Å; C382-L386 WeakPolarHBondContact O-CG 3.42Å; C382-L386 PolarHBondContact O-N 3.29Å |
| 383 | L | 91.3 | Very high | 87.5 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.7 | -49.8 | 177.8 | -172.2 | 78.2 | 0 | 0 | 0 | 111.5 | L371 A374 N379 V380 E381 L385 L386 L387 C415 A418 L419 | L371-L383 HydrophobicContact CD1-CD1 3.5Å; L371-L383 HydrophobicContact CD1-CG 4.43Å; L371-L383 HydrophobicContact CG-CD1 4.4Å; A374-L383 HydrophobicContact CB-CB 4.27Å; A374-L383 HydrophobicContact CB-CD1 3.64Å; N379-L383 PolarHBondContact O-N 3.08Å; N379-L383 VanDerWaalsContact O-N 3.09Å; V380-L383 WeakPolarHBondContact O-CB 3.36Å; V380-L383 PolarHBondContact O-N 3.21Å; E381-L383 VanDerWaalsContact C-N 3.29Å; E381-L383 PolarHBondContact O-N 3.48Å; L383-L385 VanDerWaalsContact C-N 3.34Å; L383-L385 PolarHBondContact O-N 3.26Å; L383-L386 WeakPolarHBondContact O-CB 2.82Å; L383-L386 PolarHBondContact O-N 2.92Å; L383-L386 VanDerWaalsContact O-N 3.15Å; L383-L387 HydrophobicContact CG-CD1 4.2Å; L383-L387 WeakPolarHBondContact O-CG 3.49Å; L383-L387 PolarHBondContact O-N 3.08Å; L383-C415 HydrophobicContact CD2-CB 3.89Å; L383-A418 HydrophobicContact CD2-CB 3.63Å; L383-L419 HydrophobicContact CD1-CD2 4.15Å; L383-L419 HydrophobicContact CD1-CG 4.42Å; L383-L419 HydrophobicContact CD2-CD2 4.5Å; L383-L419 HydrophobicContact CD2-CG 4.11Å |
| 384 | N | 91.4 | Very high | 87.2 | Confident | 80 Ų | 80 | 37 Ų | 37 | 43% | 0.428 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 179.1 | -74.4 | -19.5 | 0 | 0 | 0 | 112.2 | V380 E381 L386 L387 S388 | V380-N384 WeakPolarHBondContact O-CB 3.42Å; V380-N384 VanDerWaalsContact O-CG 3.25Å; V380-N384 PolarHBondContact O-N 3.2Å; V380-N384 PolarHBondContact O-ND2 3.41Å; E381-N384 PolarHBondContact O-N 3.25Å; N384-L386 VanDerWaalsContact C-N 3.34Å; N384-L387 PolarHBondContact O-N 3.45Å; N384-S388 WeakPolarHBondContact O-CB 3.46Å; N384-S388 PolarHBondContact O-N 3Å; N384-S388 PolarHBondContact O-OG 3.29Å |
| 385 | L | 88.8 | Confident | 87 | Confident | 27 Ų | 27 | 41.5 Ų | 41.5 | 14% | 0.141 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -45.2 | 172.9 | -73.2 | 172.3 | 0 | 0 | 0 | 111 | R333 L336 E381 C382 L383 S388 S389 | R333-L385 HydrophobicContact CB-CD1 4.32Å; L336-L385 HydrophobicContact CD1-CB 4.28Å; E381-L385 WeakPolarHBondContact O-CB 3.42Å; E381-L385 WeakPolarHBondContact O-CG 3.32Å; E381-L385 PolarHBondContact O-N 2.97Å; C382-L385 PolarHBondContact O-N 3.49Å; L383-L385 VanDerWaalsContact C-N 3.34Å; L383-L385 PolarHBondContact O-N 3.26Å; L385-S388 PolarHBondContact O-N 3.17Å; L385-S388 PolarHBondContact O-OG 3.46Å; L385-S389 PolarHBondContact O-N 3.26Å; L385-S389 VanDerWaalsContact O-N 3.16Å; L385-S389 PolarHBondContact O-OG 3.31Å |
| 386 | L | 88.8 | Confident | 87 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 176.2 | -72.6 | 171 | 0 | 0 | 0 | 112.3 | L320 V324 L336 I360 C370 L371 A374 C382 L383 N384 S388 S389 G390 T391 | L320-L386 HydrophobicContact CD2-CD2 4.22Å; V324-L386 HydrophobicContact CG1-CD1 3.76Å; V324-L386 HydrophobicContact CG2-CD1 4.04Å; L336-L386 HydrophobicContact CD1-CD2 4.38Å; L336-L386 HydrophobicContact CD2-CD2 4.33Å; I360-L386 HydrophobicContact CG2-CD2 3.86Å; C370-L386 HydrophobicContact CB-CD1 4.12Å; C370-L386 HydrophobicContact CB-CD2 4.1Å; L371-L386 HydrophobicContact CD1-CB 4.37Å; A374-L386 HydrophobicContact CB-CD1 3.78Å; C382-L386 WeakPolarHBondContact O-CG 3.42Å; C382-L386 PolarHBondContact O-N 3.29Å; L383-L386 WeakPolarHBondContact O-CB 2.82Å; L383-L386 PolarHBondContact O-N 2.92Å; L383-L386 VanDerWaalsContact O-N 3.15Å; N384-L386 VanDerWaalsContact C-N 3.34Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 3.47Å; L386-S389 WeakPolarHBondContact CA-OG 3.47Å; L386-S389 WeakPolarHBondContact O-CA 3.49Å; L386-S389 WeakPolarHBondContact O-CB 3.39Å; L386-S389 PolarHBondContact O-N 3.4Å; L386-S389 PolarHBondContact O-OG 3.47Å; L386-G390 PolarHBondContact O-N 3.29Å; L386-T391 HydrophobicContact CB-CG2 3.91Å; L386-T391 HydrophobicContact CD2-CG2 4.34Å; L386-T391 WeakPolarHBondContact O-CG2 3.46Å; L386-T391 PolarHBondContact O-OG1 3.44Å |
| 387 | L | 87.8 | Confident | 87.1 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.7 | -42.5 | 176.5 | -68.5 | 172.5 | 0 | 0 | 0 | 111.5 | L371 L383 N384 S389 G390 L393 A422 | L371-L387 HydrophobicContact CD1-CD2 3.94Å; L371-L387 HydrophobicContact CD1-CG 4.26Å; L371-L387 HydrophobicContact CD2-CD2 4.43Å; L383-L387 HydrophobicContact CG-CD1 4.2Å; L383-L387 WeakPolarHBondContact O-CG 3.49Å; L383-L387 PolarHBondContact O-N 3.08Å; N384-L387 PolarHBondContact O-N 3.45Å; L387-S389 PolarHBondContact O-N 3.35Å; L387-G390 PolarHBondContact O-N 3.16Å; L387-L393 HydrophobicContact CD2-CD2 3.39Å; L387-L393 HydrophobicContact CD2-CG 4.38Å; L387-A422 HydrophobicContact CD1-CB 4.03Å; L387-A422 HydrophobicContact CD2-CB 4.17Å |
| 388 | S | 86.8 | Confident | 87.6 | Confident | 90 Ų | 90 | 49.4 Ų | 49.4 | 63% | 0.629 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -67 | -18.5 | 175.9 | 74.8 | 0 | 0 | 0 | 0 | 114.2 | N384 L385 L386 | N384-S388 WeakPolarHBondContact O-CB 3.46Å; N384-S388 PolarHBondContact O-N 3Å; N384-S388 PolarHBondContact O-OG 3.29Å; L385-S388 PolarHBondContact O-N 3.17Å; L385-S388 PolarHBondContact O-OG 3.46Å; L386-S388 VanDerWaalsContact C-N 3.29Å; L386-S388 PolarHBondContact O-N 3.47Å |
| 389 | S | 82 | Confident | 87.8 | Confident | 26 Ų | 26 | 51.6 Ų | 51.6 | 18% | 0.182 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 5.2 | 179.9 | 71 | 0 | 0 | 0 | 0 | 114.2 | I360 L385 L386 L387 | I360-S389 WeakPolarHBondContact CD1-OG 3.48Å; L385-S389 PolarHBondContact O-N 3.26Å; L385-S389 VanDerWaalsContact O-N 3.16Å; L385-S389 PolarHBondContact O-OG 3.31Å; L386-S389 WeakPolarHBondContact CA-OG 3.47Å; L386-S389 WeakPolarHBondContact O-CA 3.49Å; L386-S389 WeakPolarHBondContact O-CB 3.39Å; L386-S389 PolarHBondContact O-N 3.4Å; L386-S389 PolarHBondContact O-OG 3.47Å; L387-S389 PolarHBondContact O-N 3.35Å |
| 390 | G | 79.1 | Confident | 87.9 | Confident | 57 Ų | 57 | 50.2 Ų | 50.2 | 59% | 0.588 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | 34 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | L386 L387 | L386-G390 PolarHBondContact O-N 3.29Å; L387-G390 PolarHBondContact O-N 3.16Å |
| 391 | T | 83.2 | Confident | 88 | Confident | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.098 | 27% | 0.274 | C | S | . | . | trans | -70.4 | 141.5 | 173.5 | 50.7 | 0 | 0 | 0 | 0 | 112.9 | I360 N361 L386 | I360-T391 HydrophobicContact CG2-CG2 3.58Å; N361-T391 WeakPolarHBondContact OD1-CA 3.39Å; L386-T391 HydrophobicContact CB-CG2 3.91Å; L386-T391 HydrophobicContact CD2-CG2 4.34Å; L386-T391 WeakPolarHBondContact O-CG2 3.46Å; L386-T391 PolarHBondContact O-OG1 3.44Å | ||
| 392 | D | 84.6 | Confident | 88.2 | Confident | 59 Ų | 59 | 45.7 Ų | 45.7 | 32% | 0.316 | 25% | 0.25 | S | S | . | . | trans | -82.1 | 118.2 | 174.3 | -176.7 | 1 | 0 | 0 | 0 | 111.1 | N361 N394 K395 | N361-D392 PolarHBondContact OD1-N 2.86Å; D392-N394 VanDerWaalsContact C-N 3.31Å; D392-N394 PolarHBondContact OD1-N 3.02Å; D392-K395 HydrophobicContact CB-CG 3.81Å; D392-K395 VanDerWaalsContact OD2-CE 3.23Å; D392-K395 WeakPolarHBondContact OD2-CE 3.26Å; D392-K395 WeakPolarHBondContact OD2-CG 3.2Å | ||
| 393 | L | 86.4 | Confident | 88.3 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -26 | 179.1 | -64.6 | 172.3 | 0 | 0 | 0 | 112.7 | L371 L387 P403 L419 A422 | L371-L393 HydrophobicContact CD2-CD2 3.66Å; L387-L393 HydrophobicContact CD2-CD2 3.39Å; L387-L393 HydrophobicContact CD2-CG 4.38Å; L393-P403 WeakPolarHBondContact O-CD 3.39Å; L393-L419 HydrophobicContact CD2-CD2 3.85Å; L393-A422 HydrophobicContact CD1-CB 3.92Å; L393-A422 WeakPolarHBondContact CD1-O 3.33Å; L393-A422 HydrophobicContact CD2-CB 4.34Å |
| 394 | N | 83.6 | Confident | 88.4 | Confident | 90 Ų | 90 | 45.9 Ų | 45.9 | 48% | 0.481 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94 | 0.8 | -170.5 | -64.4 | -30.5 | 0 | 0 | 0 | 112.9 | D392 R396 | D392-N394 VanDerWaalsContact C-N 3.31Å; D392-N394 PolarHBondContact OD1-N 3.02Å; N394-R396 PolarHBondContact O-N 3.28Å |
| 395 | K | 87.4 | Confident | 88.5 | Confident | 94 Ų | 94 | 42.1 Ų | 42.1 | 41% | 0.409 | 23% | 0.231 | S | C | . | . | trans | -63.4 | 134.4 | 172.3 | -71 | -67.3 | -179.3 | -179.8 | 0 | 109.8 | T369 H372 D392 | T369-K395 HydrophobicContact CG2-CB 3.86Å; T369-K395 HydrophobicContact CG2-CG 4.12Å; H372-K395 PolarHBondContact CE1-O 3Å; H372-K395 PolarHBondContact NE2-O 2.68Å; D392-K395 HydrophobicContact CB-CG 3.81Å; D392-K395 VanDerWaalsContact OD2-CE 3.23Å; D392-K395 WeakPolarHBondContact OD2-CE 3.26Å; D392-K395 WeakPolarHBondContact OD2-CG 3.2Å | ||
| 396 | R | 90.9 | Very high | 88.6 | Confident | 105 Ų | 105 | 42.1 Ų | 42.1 | 40% | 0.396 | 23% | 0.229 | S | C | . | . | trans | -113.2 | 142.7 | -179.3 | -66.8 | 174.1 | 176.2 | -120.7 | 20 | 110.3 | N394 G400 R401 T402 E428 Q429 | N394-R396 PolarHBondContact O-N 3.28Å; R396-G400 PolarHBondContact NH1-O 3.08Å; R396-R401 WeakPolarHBondContact CA-O 3.41Å; R396-T402 HydrophobicContact CG-CG2 4.21Å; R396-E428 IonicContact CZ-OE2 3.48Å; R396-E428 IonicContact NE-OE2 3.78Å; R396-E428 VanDerWaalsContact NH2-CD 3.33Å; R396-E428 IonicContact NH2-OE1 3.71Å; R396-E428 PolarHBondContact NH2-OE1 3.04Å; R396-E428 IonicContact NH2-OE2 3.36Å; R396-E428 PolarHBondContact NH2-OE2 2.69Å; R396-Q429 PolarHBondContact NH1-O 3.4Å | ||
| 397 | D | 92.4 | Very high | 88.7 | Confident | 9 Ų | 9 | 42.1 Ų | 42.1 | 5% | 0.048 | 23% | 0.229 | C | C | . | . | trans | -72.3 | -179.9 | 170.7 | 80.3 | -4.6 | 0 | 0 | 0 | 112 | R368 M399 G400 R401 Y406 | R368-D397 HydrophobicContact CG-CB 3.86Å; D397-M399 PolarHBondContact O-N 3.19Å; D397-M399 WeakPolarHBondContact OD1-CA 3.34Å; D397-M399 WeakPolarHBondContact OD1-CB 3.46Å; D397-M399 PolarHBondContact OD1-N 3.19Å; D397-G400 PolarHBondContact O-N 2.84Å; D397-G400 PolarHBondContact OD1-N 2.9Å; D397-G400 VanDerWaalsContact OD1-N 3.09Å; D397-R401 PolarHBondContact N-O 3.43Å; D397-R401 WeakPolarHBondContact OD1-CB 3.47Å; D397-R401 PolarHBondContact OD1-N 2.84Å; D397-R401 IonicContact OD1-NE 3.02Å; D397-R401 IonicContact OD2-CZ 2.73Å; D397-R401 IonicContact OD2-NE 3.2Å; D397-R401 PolarHBondContact OD2-NE 3.48Å; D397-R401 IonicContact OD2-NH2 3.64Å; D397-R401 PolarHBondContact OD2-NH2 3.39Å; D397-Y406 WeakPolarHBondContact OD2-CE2 3.31Å; D397-Y406 PolarHBondContact OD2-OH 3.06Å | ||
| 398 | I | 91.1 | Very high | 88.9 | Confident | 101 Ų | 101 | 40.2 Ų | 40.2 | 52% | 0.518 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -19.4 | 178.4 | 58.2 | 172 | 0 | 0 | 0 | 114.4 | F366 Q431 | F366-I398 HydrophobicContact CB-CD1 4.46Å; F366-I398 HydrophobicContact CD1-CD1 4.19Å; F366-I398 WeakPolarHBondContact O-CG1 3.44Å; F366-I398 WeakPolarHBondContact O-CG2 3.09Å; F366-I398 PolarHBondContact O-N 3.37Å; I398-Q431 PolarHBondContact O-NE2 3.5Å; I398-Q431 PolarHBondContact O-OE1 3.02Å |
| 399 | M | 88.6 | Confident | 89 | Confident | 70 Ų | 70 | 37 Ų | 37 | 35% | 0.345 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 5.6 | 177 | -64.6 | -171.8 | 67.3 | 0 | 0 | 112.2 | D397 R401 Q431 | D397-M399 PolarHBondContact O-N 3.19Å; D397-M399 WeakPolarHBondContact OD1-CA 3.34Å; D397-M399 WeakPolarHBondContact OD1-CB 3.46Å; D397-M399 PolarHBondContact OD1-N 3.19Å; M399-R401 VanDerWaalsContact C-N 3.32Å; M399-R401 HydrophobicContact CB-CG 4.3Å; M399-R401 PolarHBondContact SD-NH2 2.93Å; M399-Q431 WeakPolarHBondContact O-CB 3.43Å; M399-Q431 VanDerWaalsContact O-CG 3.28Å; M399-Q431 WeakPolarHBondContact O-CG 3.44Å; M399-Q431 PolarHBondContact O-N 2.92Å |
| 400 | G | 90.8 | Very high | 89.2 | Confident | 7 Ų | 7 | 37.6 Ų | 37.6 | 7% | 0.072 | 20% | 0.199 | C | C | . | . | S | Bend | trans | 80.2 | 8.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R396 D397 | R396-G400 PolarHBondContact NH1-O 3.08Å; D397-G400 PolarHBondContact O-N 2.84Å; D397-G400 PolarHBondContact OD1-N 2.9Å; D397-G400 VanDerWaalsContact OD1-N 3.09Å |
| 401 | R | 92.9 | Very high | 89.5 | Confident | 52 Ų | 52 | 35 Ų | 35 | 20% | 0.196 | 17% | 0.172 | C | C | . | . | trans | -82.7 | 138.7 | -177 | -63.3 | 175.8 | -64.5 | -162.2 | -4.1 | 110.9 | H372 R396 D397 M399 H405 Y406 D430 | H372-R401 PolarHBondContact NE2-O 3.25Å; R396-R401 WeakPolarHBondContact CA-O 3.41Å; D397-R401 PolarHBondContact N-O 3.43Å; D397-R401 WeakPolarHBondContact OD1-CB 3.47Å; D397-R401 PolarHBondContact OD1-N 2.84Å; D397-R401 IonicContact OD1-NE 3.02Å; D397-R401 IonicContact OD2-CZ 2.73Å; D397-R401 IonicContact OD2-NE 3.2Å; D397-R401 PolarHBondContact OD2-NE 3.48Å; D397-R401 IonicContact OD2-NH2 3.64Å; D397-R401 PolarHBondContact OD2-NH2 3.39Å; M399-R401 VanDerWaalsContact C-N 3.32Å; M399-R401 HydrophobicContact CB-CG 4.3Å; M399-R401 PolarHBondContact SD-NH2 2.93Å; R401-H405 HydrophobicContact CB-CB 3.98Å; R401-H405 HydrophobicContact CG-CB 4.36Å; R401-Y406 HydrophobicContact CB-CD2 4.48Å; R401-Y406 HydrophobicContact CB-CE2 4Å; R401-Y406 PolarHBondContact NH2-OH 2.99Å; R401-D430 HydrophobicContact CG-CB 3.7Å | ||
| 402 | T | 94.1 | Very high | 89.7 | Confident | 7 Ų | 7 | 36.6 Ų | 36.6 | 4% | 0.043 | 18% | 0.177 | C | C | . | . | trans | -89.3 | 167.7 | 174 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | R396 L404 H405 E428 | R396-T402 HydrophobicContact CG-CG2 4.21Å; T402-L404 PolarHBondContact O-N 3.31Å; T402-H405 PolarHBondContact N-ND1 2.89Å; T402-H405 VanDerWaalsContact N-ND1 3.15Å; T402-H405 WeakPolarHBondContact O-CB 3.46Å; T402-H405 PolarHBondContact O-N 3.4Å; T402-H405 PolarHBondContact OG1-ND1 3.04Å; T402-E428 HydrophobicContact CG2-CB 4.41Å | ||
| 403 | P | 93.2 | Very high | 89.9 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -55.1 | -33 | 173.5 | -25.6 | 34.6 | 0 | 0 | 0 | 113.3 | L371 H372 A375 L393 H405 Y406 A407 L419 | L371-P403 HydrophobicContact CB-CG 4.28Å; L371-P403 HydrophobicContact CD2-CB 4.15Å; L371-P403 HydrophobicContact CD2-CG 3.68Å; L371-P403 HydrophobicContact CG-CB 4.01Å; L371-P403 HydrophobicContact CG-CG 3.9Å; H372-P403 WeakPolarHBondContact NE2-CD 3.39Å; A375-P403 HydrophobicContact CB-CB 4.11Å; A375-P403 WeakPolarHBondContact CB-O 3.43Å; L393-P403 WeakPolarHBondContact O-CD 3.39Å; P403-H405 VanDerWaalsContact C-N 3.31Å; P403-H405 PolarHBondContact O-N 2.88Å; P403-Y406 WeakPolarHBondContact O-CB 3.37Å; P403-Y406 PolarHBondContact O-N 3.42Å; P403-Y406 VanDerWaalsContact O-N 3.09Å; P403-A407 PolarHBondContact O-N 2.87Å; P403-L419 HydrophobicContact CB-CD1 4.14Å; P403-L419 HydrophobicContact CB-CD2 4.29Å |
| 404 | L | 93.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.6 | -36.5 | 177.7 | -173 | 61.1 | 0 | 0 | 0 | 112.2 | T402 Y406 A407 A408 T416 L419 V420 A424 P436 L474 | T402-L404 PolarHBondContact O-N 3.31Å; L404-Y406 VanDerWaalsContact C-N 3.29Å; L404-Y406 PolarHBondContact O-N 3.15Å; L404-A407 PolarHBondContact O-N 3.27Å; L404-A408 VanDerWaalsContact O-CB 3.27Å; L404-A408 WeakPolarHBondContact O-CB 3.42Å; L404-A408 PolarHBondContact O-N 3.4Å; L404-T416 HydrophobicContact CD1-CG2 3.82Å; L404-L419 HydrophobicContact CB-CD1 4.47Å; L404-L419 HydrophobicContact CD1-CB 4.11Å; L404-L419 HydrophobicContact CD1-CD1 4.36Å; L404-V420 HydrophobicContact CD1-CG2 3.99Å; L404-V420 HydrophobicContact CD2-CG2 4.28Å; L404-A424 HydrophobicContact CB-CB 4.48Å; L404-A424 HydrophobicContact CD2-CB 4.26Å; L404-P436 HydrophobicContact CB-CG 4.42Å; L404-P436 HydrophobicContact CD2-CB 4.33Å; L404-P436 HydrophobicContact CD2-CG 3.99Å; L404-P436 HydrophobicContact CG-CB 4.08Å; L404-P436 HydrophobicContact CG-CG 4.01Å; L404-L474 HydrophobicContact CD1-CD2 4.28Å; L404-L474 HydrophobicContact CD2-CD2 4.25Å; L404-L474 HydrophobicContact CG-CD2 4.47Å |
| 405 | H | 92.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -60.9 | -39.3 | 173.8 | -68.6 | 79.8 | 0 | 0 | 0 | 111.7 | R401 T402 P403 A409 E428 C434 P436 Y439 | R401-H405 HydrophobicContact CB-CB 3.98Å; R401-H405 HydrophobicContact CG-CB 4.36Å; T402-H405 PolarHBondContact N-ND1 2.89Å; T402-H405 VanDerWaalsContact N-ND1 3.15Å; T402-H405 WeakPolarHBondContact O-CB 3.46Å; T402-H405 PolarHBondContact O-N 3.4Å; T402-H405 PolarHBondContact OG1-ND1 3.04Å; P403-H405 VanDerWaalsContact C-N 3.31Å; P403-H405 PolarHBondContact O-N 2.88Å; H405-A409 WeakPolarHBondContact O-CB 3.41Å; H405-A409 PolarHBondContact O-N 3.45Å; H405-E428 PolarHBondContact CE1-O 3.45Å; H405-E428 PolarHBondContact NE2-O 2.99Å; H405-E428 VanDerWaalsContact NE2-O 3.13Å; H405-C434 PolarHBondContact NE2-O 2.93Å; H405-P436 WeakPolarHBondContact NE2-CD 3.48Å; H405-Y439 AromaticContact CD2-CD2 3.69Å; H405-Y439 AromaticContact CD2-CE2 3.67Å |
| 406 | Y | 91.5 | Very high | 90.6 | Very high | 27 Ų | 27 | 31.5 Ų | 31.5 | 11% | 0.106 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.3 | -39.6 | 178.4 | -79.4 | -99.8 | 0 | 0 | 0 | 112.2 | R368 H372 D397 R401 P403 L404 N410 | R368-Y406 WeakPolarHBondContact CD-OH 3.42Å; H372-Y406 AromaticContact CD2-CD2 3.71Å; H372-Y406 AromaticContact CD2-CE2 3.7Å; D397-Y406 WeakPolarHBondContact OD2-CE2 3.31Å; D397-Y406 PolarHBondContact OD2-OH 3.06Å; R401-Y406 HydrophobicContact CB-CD2 4.48Å; R401-Y406 HydrophobicContact CB-CE2 4Å; R401-Y406 PolarHBondContact NH2-OH 2.99Å; P403-Y406 WeakPolarHBondContact O-CB 3.37Å; P403-Y406 PolarHBondContact O-N 3.42Å; P403-Y406 VanDerWaalsContact O-N 3.09Å; L404-Y406 VanDerWaalsContact C-N 3.29Å; L404-Y406 PolarHBondContact O-N 3.15Å; Y406-N410 WeakPolarHBondContact O-CB 3.39Å; Y406-N410 PolarHBondContact O-N 3.35Å; Y406-N410 PolarHBondContact O-ND2 3.06Å |
| 407 | A | 91.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -46.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A375 P403 L404 N410 G411 R412 C415 L419 | A375-A407 HydrophobicContact CB-CB 4.09Å; A375-A407 WeakPolarHBondContact O-CA 3.32Å; P403-A407 PolarHBondContact O-N 2.87Å; L404-A407 PolarHBondContact O-N 3.27Å; A407-N410 PolarHBondContact O-N 3.4Å; A407-G411 PolarHBondContact O-N 3.22Å; A407-G411 VanDerWaalsContact O-N 3.09Å; A407-R412 PolarHBondContact O-N 3.48Å; A407-C415 HydrophobicContact CB-CB 4.28Å; A407-L419 HydrophobicContact CB-CD1 3.97Å |
| 408 | A | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -48.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L404 N410 G411 P436 L474 | L404-A408 VanDerWaalsContact O-CB 3.27Å; L404-A408 WeakPolarHBondContact O-CB 3.42Å; L404-A408 PolarHBondContact O-N 3.4Å; A408-N410 VanDerWaalsContact C-N 3.26Å; A408-N410 PolarHBondContact O-N 3.43Å; A408-G411 PolarHBondContact O-N 2.93Å; A408-G411 VanDerWaalsContact O-N 3.08Å; A408-P436 HydrophobicContact CB-CB 4.04Å; A408-P436 WeakPolarHBondContact CB-O 3.36Å; A408-L474 HydrophobicContact CB-CD1 4.23Å |
| 409 | A | 89.3 | Confident | 90.8 | Very high | 22 Ų | 22 | 23 Ų | 23 | 18% | 0.182 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -60.6 | -33.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | H405 Y439 S443 | H405-A409 WeakPolarHBondContact O-CB 3.41Å; H405-A409 PolarHBondContact O-N 3.45Å; A409-Y439 HydrophobicContact CB-CD1 3.9Å; A409-Y439 HydrophobicContact CB-CG 4.24Å; A409-S443 PolarHBondContact O-OG 3.08Å |
| 410 | N | 85.8 | Confident | 91 | Very high | 39 Ų | 39 | 20.5 Ų | 20.5 | 21% | 0.209 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 0 | 178.7 | -70 | -69.2 | 0 | 0 | 0 | 113.4 | S376 Y406 A407 A408 R412 | S376-N410 PolarHBondContact OG-ND2 2.98Å; S376-N410 VanDerWaalsContact OG-ND2 3.14Å; Y406-N410 WeakPolarHBondContact O-CB 3.39Å; Y406-N410 PolarHBondContact O-N 3.35Å; Y406-N410 PolarHBondContact O-ND2 3.06Å; A407-N410 PolarHBondContact O-N 3.4Å; A408-N410 VanDerWaalsContact C-N 3.26Å; A408-N410 PolarHBondContact O-N 3.43Å; N410-R412 VanDerWaalsContact C-N 3.34Å; N410-R412 HydrophobicContact CB-CG 3.87Å; N410-R412 PolarHBondContact O-N 2.9Å |
| 411 | G | 85 | Confident | 91 | Very high | 2 Ų | 2 | 25.9 Ų | 25.9 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 65 | 31.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | A407 A408 Y413 S443 E466 | A407-G411 PolarHBondContact O-N 3.22Å; A407-G411 VanDerWaalsContact O-N 3.09Å; A408-G411 PolarHBondContact O-N 2.93Å; A408-G411 VanDerWaalsContact O-N 3.08Å; G411-Y413 PolarHBondContact O-N 3.18Å; G411-Y413 VanDerWaalsContact O-N 3.14Å; G411-S443 PolarHBondContact N-OG 3.42Å; G411-E466 WeakPolarHBondContact O-CB 3.33Å |
| 412 | R | 87.9 | Confident | 90.9 | Very high | 51 Ų | 51 | 25.5 Ų | 25.5 | 19% | 0.192 | 14% | 0.137 | C | C | . | . | trans | -86.1 | 77.8 | -176.6 | -57.8 | -51.3 | -165.2 | -178.2 | 5.6 | 111.7 | G377 A407 N410 Q414 C415 T416 | G377-R412 PolarHBondContact O-NH2 3.12Å; A407-R412 PolarHBondContact O-N 3.48Å; N410-R412 VanDerWaalsContact C-N 3.34Å; N410-R412 HydrophobicContact CB-CG 3.87Å; N410-R412 PolarHBondContact O-N 2.9Å; R412-Q414 PolarHBondContact O-N 3.21Å; R412-C415 HydrophobicContact CB-CB 3.92Å; R412-C415 WeakPolarHBondContact O-CB 3.3Å; R412-C415 PolarHBondContact O-N 3.42Å; R412-T416 PolarHBondContact O-N 3.39Å; R412-T416 PolarHBondContact O-OG1 2.83Å; R412-T416 VanDerWaalsContact O-OG1 3.14Å | ||
| 413 | Y | 88.9 | Confident | 90.7 | Very high | 62 Ų | 62 | 27.8 Ų | 27.8 | 24% | 0.243 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -48.6 | -54.4 | -171.9 | 170.6 | -116.4 | 0 | 0 | 0 | 113.9 | G411 C415 T416 V417 F469 C470 H473 | G411-Y413 PolarHBondContact O-N 3.18Å; G411-Y413 VanDerWaalsContact O-N 3.14Å; Y413-C415 VanDerWaalsContact C-N 3.25Å; Y413-C415 PolarHBondContact O-N 2.8Å; Y413-T416 WeakPolarHBondContact O-CB 3.26Å; Y413-T416 PolarHBondContact O-N 2.67Å; Y413-T416 VanDerWaalsContact O-N 3.09Å; Y413-V417 HydrophobicContact CD2-CG2 3.89Å; Y413-V417 HydrophobicContact CE1-CG2 4.2Å; Y413-V417 HydrophobicContact CE2-CG2 3.4Å; Y413-V417 HydrophobicContact CG-CG2 4.48Å; Y413-V417 WeakPolarHBondContact O-CG2 3.39Å; Y413-V417 PolarHBondContact O-N 3.11Å; Y413-F469 HydrophobicContact CD1-CB 4.3Å; Y413-F469 VanDerWaalsContact CD2-C 3.44Å; Y413-F469 HydrophobicContact CD2-CB 3.53Å; Y413-F469 WeakPolarHBondContact CD2-O 3.49Å; Y413-F469 HydrophobicContact CE2-CB 3.78Å; Y413-F469 WeakPolarHBondContact CE2-O 3.4Å; Y413-F469 HydrophobicContact CG-CB 3.81Å; Y413-C470 WeakPolarHBondContact CA-SG 3.29Å; Y413-C470 PolarHBondContact N-SG 3.31Å; Y413-H473 HydrophobicContact CE2-CB 3.93Å |
| 414 | Q | 90.3 | Very high | 90.6 | Very high | 102 Ų | 102 | 28.3 Ų | 28.3 | 48% | 0.477 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.1 | -30.4 | -176.5 | -60.6 | -70 | -15.6 | 0 | 0 | 112.8 | V380 R412 A418 | V380-Q414 HydrophobicContact CB-CB 4.49Å; V380-Q414 HydrophobicContact CG2-CB 3.17Å; V380-Q414 HydrophobicContact CG2-CG 4.24Å; R412-Q414 PolarHBondContact O-N 3.21Å; Q414-A418 WeakPolarHBondContact O-CB 3.28Å; Q414-A418 PolarHBondContact O-N 3.12Å; Q414-A418 VanDerWaalsContact O-N 3.08Å |
| 415 | C | 90.8 | Very high | 90.5 | Very high | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.007 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74 | -38.6 | 173.8 | -70 | 0 | 0 | 0 | 0 | 111.6 | G378 L383 A407 R412 Y413 A418 L419 | G378-C415 VanDerWaalsContact CA-SG 3.58Å; G378-C415 PolarHBondContact O-SG 3.4Å; L383-C415 HydrophobicContact CD2-CB 3.89Å; A407-C415 HydrophobicContact CB-CB 4.28Å; R412-C415 HydrophobicContact CB-CB 3.92Å; R412-C415 WeakPolarHBondContact O-CB 3.3Å; R412-C415 PolarHBondContact O-N 3.42Å; Y413-C415 VanDerWaalsContact C-N 3.25Å; Y413-C415 PolarHBondContact O-N 2.8Å; C415-A418 PolarHBondContact O-N 3.37Å; C415-L419 WeakPolarHBondContact O-CB 3.4Å; C415-L419 VanDerWaalsContact O-CG 3.31Å; C415-L419 WeakPolarHBondContact O-CG 3.49Å; C415-L419 PolarHBondContact O-N 2.86Å |
| 416 | T | 92.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -58.1 | -49.7 | 172.6 | -54.6 | 0 | 0 | 0 | 0 | 110.3 | L404 R412 Y413 A418 L419 V420 L474 | L404-T416 HydrophobicContact CD1-CG2 3.82Å; R412-T416 PolarHBondContact O-N 3.39Å; R412-T416 PolarHBondContact O-OG1 2.83Å; R412-T416 VanDerWaalsContact O-OG1 3.14Å; Y413-T416 WeakPolarHBondContact O-CB 3.26Å; Y413-T416 PolarHBondContact O-N 2.67Å; Y413-T416 VanDerWaalsContact O-N 3.09Å; T416-A418 PolarHBondContact O-N 2.77Å; T416-L419 PolarHBondContact O-N 2.88Å; T416-V420 HydrophobicContact CG2-CG2 4.48Å; T416-V420 VanDerWaalsContact O-CG2 3.32Å; T416-V420 WeakPolarHBondContact O-CG2 3.4Å; T416-V420 PolarHBondContact O-N 2.99Å; T416-L474 HydrophobicContact CG2-CD1 4.47Å; T416-L474 HydrophobicContact CG2-CD2 3.83Å; T416-L474 HydrophobicContact CG2-CG 4Å |
| 417 | V | 92.7 | Very high | 90.4 | Very high | 22 Ų | 22 | 35.9 Ų | 35.9 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -57.6 | -48.6 | 176.9 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | Y413 L419 V420 N421 | Y413-V417 HydrophobicContact CD2-CG2 3.89Å; Y413-V417 HydrophobicContact CE1-CG2 4.2Å; Y413-V417 HydrophobicContact CE2-CG2 3.4Å; Y413-V417 HydrophobicContact CG-CG2 4.48Å; Y413-V417 WeakPolarHBondContact O-CG2 3.39Å; Y413-V417 PolarHBondContact O-N 3.11Å; V417-L419 PolarHBondContact O-N 3.01Å; V417-V420 PolarHBondContact O-N 3.26Å; V417-N421 WeakPolarHBondContact CG1-ND2 3.29Å; V417-N421 VanDerWaalsContact O-CB 3.27Å; V417-N421 WeakPolarHBondContact O-CB 3.43Å; V417-N421 PolarHBondContact O-N 3.35Å; V417-N421 PolarHBondContact O-ND2 3.27Å |
| 418 | A | 92.4 | Very high | 90.4 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 11% | 0.107 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -39 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V380 L383 Q414 C415 T416 A422 | V380-A418 HydrophobicContact CG1-CB 4.43Å; L383-A418 HydrophobicContact CD2-CB 3.63Å; Q414-A418 WeakPolarHBondContact O-CB 3.28Å; Q414-A418 PolarHBondContact O-N 3.12Å; Q414-A418 VanDerWaalsContact O-N 3.08Å; C415-A418 PolarHBondContact O-N 3.37Å; T416-A418 PolarHBondContact O-N 2.77Å; A418-A422 VanDerWaalsContact O-CB 3.3Å; A418-A422 WeakPolarHBondContact O-CB 3.5Å; A418-A422 PolarHBondContact O-N 3.48Å |
| 419 | L | 92.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 41.5 Ų | 41.5 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.2 | -44 | 177.1 | -74.1 | 170.7 | 0 | 0 | 0 | 112.4 | L371 A375 L383 L393 P403 L404 A407 C415 T416 V417 A422 G423 A424 | L371-L419 HydrophobicContact CD1-CD2 4.35Å; L371-L419 HydrophobicContact CD2-CD2 4.33Å; L371-L419 HydrophobicContact CG-CD2 4.41Å; A375-L419 HydrophobicContact CB-CD1 4Å; L383-L419 HydrophobicContact CD1-CD2 4.15Å; L383-L419 HydrophobicContact CD1-CG 4.42Å; L383-L419 HydrophobicContact CD2-CD2 4.5Å; L383-L419 HydrophobicContact CD2-CG 4.11Å; L393-L419 HydrophobicContact CD2-CD2 3.85Å; P403-L419 HydrophobicContact CB-CD1 4.14Å; P403-L419 HydrophobicContact CB-CD2 4.29Å; L404-L419 HydrophobicContact CB-CD1 4.47Å; L404-L419 HydrophobicContact CD1-CB 4.11Å; L404-L419 HydrophobicContact CD1-CD1 4.36Å; A407-L419 HydrophobicContact CB-CD1 3.97Å; C415-L419 WeakPolarHBondContact O-CB 3.4Å; C415-L419 VanDerWaalsContact O-CG 3.31Å; C415-L419 WeakPolarHBondContact O-CG 3.49Å; C415-L419 PolarHBondContact O-N 2.86Å; T416-L419 PolarHBondContact O-N 2.88Å; V417-L419 PolarHBondContact O-N 3.01Å; L419-A422 PolarHBondContact O-N 3.32Å; L419-G423 PolarHBondContact O-N 2.91Å; L419-A424 HydrophobicContact CB-CB 4.22Å; L419-A424 WeakPolarHBondContact O-CB 3.37Å; L419-A424 PolarHBondContact O-N 3.2Å |
| 420 | V | 92.8 | Very high | 90.5 | Very high | 18 Ų | 18 | 40.9 Ų | 40.9 | 11% | 0.109 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.2 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | L404 T416 V417 A422 G423 V426 L474 N477 | L404-V420 HydrophobicContact CD1-CG2 3.99Å; L404-V420 HydrophobicContact CD2-CG2 4.28Å; T416-V420 HydrophobicContact CG2-CG2 4.48Å; T416-V420 VanDerWaalsContact O-CG2 3.32Å; T416-V420 WeakPolarHBondContact O-CG2 3.4Å; T416-V420 PolarHBondContact O-N 2.99Å; V417-V420 PolarHBondContact O-N 3.26Å; V420-A422 PolarHBondContact O-N 3.48Å; V420-G423 PolarHBondContact O-N 3.35Å; V420-V426 HydrophobicContact CG1-CG2 4.35Å; V420-V426 HydrophobicContact CG2-CG2 4.24Å; V420-L474 HydrophobicContact CG2-CD2 4.35Å; V420-N477 HydrophobicContact CG1-CB 3.99Å |
| 421 | N | 91.5 | Very high | 90.8 | Very high | 120 Ų | 120 | 45.8 Ų | 45.8 | 64% | 0.642 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -63.1 | -28.6 | 175 | -72.4 | -21 | 0 | 0 | 0 | 113.3 | V417 G423 | V417-N421 WeakPolarHBondContact CG1-ND2 3.29Å; V417-N421 VanDerWaalsContact O-CB 3.27Å; V417-N421 WeakPolarHBondContact O-CB 3.43Å; V417-N421 PolarHBondContact O-N 3.35Å; V417-N421 PolarHBondContact O-ND2 3.27Å; N421-G423 PolarHBondContact O-N 3.49Å |
| 422 | A | 89.8 | Confident | 90.9 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -5.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | L387 L393 A418 L419 V420 | L387-A422 HydrophobicContact CD1-CB 4.03Å; L387-A422 HydrophobicContact CD2-CB 4.17Å; L393-A422 HydrophobicContact CD1-CB 3.92Å; L393-A422 WeakPolarHBondContact CD1-O 3.33Å; L393-A422 HydrophobicContact CD2-CB 4.34Å; A418-A422 VanDerWaalsContact O-CB 3.3Å; A418-A422 WeakPolarHBondContact O-CB 3.5Å; A418-A422 PolarHBondContact O-N 3.48Å; L419-A422 PolarHBondContact O-N 3.32Å; V420-A422 PolarHBondContact O-N 3.48Å |
| 423 | G | 89.4 | Confident | 91 | Very high | 54 Ų | 54 | 46.2 Ų | 46.2 | 56% | 0.557 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98.1 | 21.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | L419 V420 N421 | L419-G423 PolarHBondContact O-N 2.91Å; V420-G423 PolarHBondContact O-N 3.35Å; N421-G423 PolarHBondContact O-N 3.49Å |
| 424 | A | 91.3 | Very high | 91.1 | Very high | 14 Ų | 14 | 43.3 Ų | 43.3 | 12% | 0.116 | 25% | 0.246 | C | C | . | . | trans | -67.8 | 131.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L404 L419 V426 | L404-A424 HydrophobicContact CB-CB 4.48Å; L404-A424 HydrophobicContact CD2-CB 4.26Å; L419-A424 HydrophobicContact CB-CB 4.22Å; L419-A424 WeakPolarHBondContact O-CB 3.37Å; L419-A424 PolarHBondContact O-N 3.2Å; A424-V426 PolarHBondContact O-N 3.3Å | ||
| 425 | E | 90.8 | Very high | 91.3 | Very high | 113 Ų | 113 | 38.4 Ų | 38.4 | 53% | 0.528 | 22% | 0.223 | S | C | . | . | trans | -70.6 | 127.1 | 178.5 | -68.8 | -177.5 | -170.9 | 0 | 0 | 111.8 | E428 | E425-E428 HydrophobicContact CB-CG 3.41Å; E425-E428 VanDerWaalsContact CB-CG 3.41Å; E425-E428 HydrophobicContact CG-CG 4.44Å; E425-E428 WeakPolarHBondContact OE2-CG 3.16Å | ||
| 426 | V | 91.3 | Very high | 91.4 | Very high | 17 Ų | 17 | 38.4 Ų | 38.4 | 10% | 0.103 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -29.9 | -168.9 | -180 | 0 | 0 | 0 | 0 | 113.3 | V420 A424 P436 L474 N477 A479 | V420-V426 HydrophobicContact CG1-CG2 4.35Å; V420-V426 HydrophobicContact CG2-CG2 4.24Å; A424-V426 PolarHBondContact O-N 3.3Å; V426-P436 VanDerWaalsContact O-CD 3.3Å; V426-P436 WeakPolarHBondContact O-CD 3.32Å; V426-P436 WeakPolarHBondContact O-CG 3.23Å; V426-L474 HydrophobicContact CG1-CB 4.36Å; V426-L474 HydrophobicContact CG1-CD2 3.86Å; V426-N477 HydrophobicContact CG2-CB 4.42Å; V426-A479 HydrophobicContact CG1-CB 3.56Å |
| 427 | N | 91.4 | Very high | 91.3 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 31% | 0.305 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 13.4 | -175.1 | -70 | -41.8 | 0 | 0 | 0 | 113.9 | Q429 G478 A479 D480 M483 | N427-Q429 PolarHBondContact O-N 3.26Å; N427-G478 PolarHBondContact ND2-O 3.03Å; N427-A479 VanDerWaalsContact OD1-CA 3.3Å; N427-A479 WeakPolarHBondContact OD1-CA 3.28Å; N427-D480 PolarHBondContact OD1-N 3.27Å; N427-M483 HydrophobicContact CB-SD 3.94Å |
| 428 | E | 90.3 | Very high | 91.3 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 19% | 0.192 | 22% | 0.216 | C | C | . | . | trans | -60.5 | 130.3 | 178 | -76.1 | -79.8 | 76.2 | 0 | 0 | 111 | R396 T402 H405 E425 P436 | R396-E428 IonicContact CZ-OE2 3.48Å; R396-E428 IonicContact NE-OE2 3.78Å; R396-E428 VanDerWaalsContact NH2-CD 3.33Å; R396-E428 IonicContact NH2-OE1 3.71Å; R396-E428 PolarHBondContact NH2-OE1 3.04Å; R396-E428 IonicContact NH2-OE2 3.36Å; R396-E428 PolarHBondContact NH2-OE2 2.69Å; T402-E428 HydrophobicContact CG2-CB 4.41Å; H405-E428 PolarHBondContact CE1-O 3.45Å; H405-E428 PolarHBondContact NE2-O 2.99Å; H405-E428 VanDerWaalsContact NE2-O 3.13Å; E425-E428 HydrophobicContact CB-CG 3.41Å; E425-E428 VanDerWaalsContact CB-CG 3.41Å; E425-E428 HydrophobicContact CG-CG 4.44Å; E425-E428 WeakPolarHBondContact OE2-CG 3.16Å; E428-P436 WeakPolarHBondContact O-CD 3.14Å | ||
| 429 | Q | 91.7 | Very high | 91.2 | Very high | 78 Ų | 78 | 39 Ų | 39 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | trans | -95.1 | 139 | 178.8 | -69.3 | -178.3 | -44.6 | 0 | 0 | 111.2 | R396 N427 G433 T435 M483 | R396-Q429 PolarHBondContact NH1-O 3.4Å; N427-Q429 PolarHBondContact O-N 3.26Å; Q429-G433 PolarHBondContact NE2-O 3.44Å; Q429-T435 HydrophobicContact CG-CG2 3.8Å; Q429-M483 HydrophobicContact CG-CE 3.94Å | ||
| 430 | D | 92.1 | Very high | 91 | Very high | 9 Ų | 9 | 38.9 Ų | 38.9 | 5% | 0.048 | 22% | 0.22 | C | C | . | . | trans | -74.7 | 179.7 | 165.6 | 76.3 | 9.3 | 0 | 0 | 0 | 111.9 | R401 T432 G433 C434 Y439 | R401-D430 HydrophobicContact CG-CB 3.7Å; D430-T432 PolarHBondContact O-N 3.49Å; D430-T432 VanDerWaalsContact O-N 3.1Å; D430-T432 VanDerWaalsContact OD1-CA 3.29Å; D430-T432 WeakPolarHBondContact OD1-CA 3.32Å; D430-T432 WeakPolarHBondContact OD1-CB 3.28Å; D430-T432 PolarHBondContact OD1-N 2.98Å; D430-T432 PolarHBondContact OD1-OG1 2.94Å; D430-T432 PolarHBondContact OD2-OG1 3.37Å; D430-G433 PolarHBondContact O-N 3.32Å; D430-G433 PolarHBondContact OD1-N 3.14Å; D430-C434 PolarHBondContact N-O 3.21Å; D430-C434 PolarHBondContact OD1-N 2.91Å; D430-Y439 WeakPolarHBondContact OD2-CE2 3.47Å; D430-Y439 PolarHBondContact OD2-OH 3.11Å | ||
| 431 | Q | 91.8 | Very high | 90.8 | Very high | 141 Ų | 141 | 38 Ų | 38 | 66% | 0.659 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -21.1 | 179 | -75.1 | 171.8 | 12 | 0 | 0 | 114.1 | I398 M399 | I398-Q431 PolarHBondContact O-NE2 3.5Å; I398-Q431 PolarHBondContact O-OE1 3.02Å; M399-Q431 WeakPolarHBondContact O-CB 3.43Å; M399-Q431 VanDerWaalsContact O-CG 3.28Å; M399-Q431 WeakPolarHBondContact O-CG 3.44Å; M399-Q431 PolarHBondContact O-N 2.92Å |
| 432 | T | 87.4 | Confident | 90.5 | Very high | 51 Ų | 51 | 33.1 Ų | 33.1 | 31% | 0.313 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -3.2 | 177 | 68.9 | 0 | 0 | 0 | 0 | 112.7 | D430 C434 N485 S486 | D430-T432 PolarHBondContact O-N 3.49Å; D430-T432 VanDerWaalsContact O-N 3.1Å; D430-T432 VanDerWaalsContact OD1-CA 3.29Å; D430-T432 WeakPolarHBondContact OD1-CA 3.32Å; D430-T432 WeakPolarHBondContact OD1-CB 3.28Å; D430-T432 PolarHBondContact OD1-N 2.98Å; D430-T432 PolarHBondContact OD1-OG1 2.94Å; D430-T432 PolarHBondContact OD2-OG1 3.37Å; T432-C434 PolarHBondContact OG1-SG 2.84Å; T432-N485 WeakPolarHBondContact O-CB 3.49Å; T432-S486 VanDerWaalsContact O-CB 3.26Å; T432-S486 WeakPolarHBondContact O-CB 3.43Å; T432-S486 PolarHBondContact O-N 3.49Å; T432-S486 PolarHBondContact O-OG 3.49Å |
| 433 | G | 89.7 | Confident | 90 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 11% | 0.113 | 17% | 0.174 | C | C | . | . | S | Bend | trans | 84.5 | 7.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q429 D430 | Q429-G433 PolarHBondContact NE2-O 3.44Å; D430-G433 PolarHBondContact O-N 3.32Å; D430-G433 PolarHBondContact OD1-N 3.14Å |
| 434 | C | 91.4 | Very high | 88.9 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 16% | 0.163 | C | C | . | . | trans | -82.6 | 131.2 | 179.8 | -72.9 | 0 | 0 | 0 | 0 | 110.6 | H405 D430 T432 H438 Y439 Y494 | H405-C434 PolarHBondContact NE2-O 2.93Å; D430-C434 PolarHBondContact N-O 3.21Å; D430-C434 PolarHBondContact OD1-N 2.91Å; T432-C434 PolarHBondContact OG1-SG 2.84Å; C434-H438 HydrophobicContact CB-CB 4.17Å; C434-Y439 HydrophobicContact CB-CD2 4.29Å; C434-Y439 HydrophobicContact CB-CE2 3.64Å; C434-Y494 PolarHBondContact SG-OH 2.97Å | ||
| 435 | T | 93.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -90.1 | 165.2 | 173.1 | 66 | 0 | 0 | 0 | 0 | 111.1 | Q429 L437 H438 Y439 M483 | Q429-T435 HydrophobicContact CG-CG2 3.8Å; T435-L437 PolarHBondContact O-N 3.12Å; T435-L437 VanDerWaalsContact O-N 3.11Å; T435-H438 PolarHBondContact N-ND1 3.42Å; T435-H438 VanDerWaalsContact N-ND1 3.15Å; T435-H438 WeakPolarHBondContact O-CB 3.48Å; T435-H438 PolarHBondContact O-N 2.98Å; T435-H438 PolarHBondContact OG1-ND1 3.14Å; T435-Y439 WeakPolarHBondContact O-CD2 3.22Å; T435-Y439 PolarHBondContact O-N 3.2Å; T435-M483 HydrophobicContact CG2-CB 4.38Å; T435-M483 HydrophobicContact CG2-CE 4.08Å; T435-M483 HydrophobicContact CG2-SD 3.8Å | ||
| 436 | P | 92.4 | Very high | 84.7 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -51.5 | -33.5 | 171.6 | -27.4 | 34.8 | 0 | 0 | 0 | 113.2 | L404 H405 A408 V426 E428 H438 Y439 S440 L474 | L404-P436 HydrophobicContact CB-CG 4.42Å; L404-P436 HydrophobicContact CD2-CB 4.33Å; L404-P436 HydrophobicContact CD2-CG 3.99Å; L404-P436 HydrophobicContact CG-CB 4.08Å; L404-P436 HydrophobicContact CG-CG 4.01Å; H405-P436 WeakPolarHBondContact NE2-CD 3.48Å; A408-P436 HydrophobicContact CB-CB 4.04Å; A408-P436 WeakPolarHBondContact CB-O 3.36Å; V426-P436 VanDerWaalsContact O-CD 3.3Å; V426-P436 WeakPolarHBondContact O-CD 3.32Å; V426-P436 WeakPolarHBondContact O-CG 3.23Å; E428-P436 WeakPolarHBondContact O-CD 3.14Å; P436-H438 PolarHBondContact O-N 3Å; P436-Y439 PolarHBondContact O-N 2.86Å; P436-S440 WeakPolarHBondContact O-CB 3.41Å; P436-S440 PolarHBondContact O-N 3.35Å; P436-L474 HydrophobicContact CB-CD1 4.4Å |
| 437 | L | 91.8 | Very high | 82.2 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -39.7 | 176.3 | -168.6 | 73.5 | 0 | 0 | 0 | 112.5 | T435 Y439 S440 A441 L471 L474 L475 A479 P481 A491 L507 | T435-L437 PolarHBondContact O-N 3.12Å; T435-L437 VanDerWaalsContact O-N 3.11Å; L437-Y439 VanDerWaalsContact C-N 3.34Å; L437-Y439 PolarHBondContact O-N 3.19Å; L437-S440 PolarHBondContact O-N 2.88Å; L437-A441 VanDerWaalsContact O-CB 3.27Å; L437-A441 WeakPolarHBondContact O-CB 3.22Å; L437-A441 PolarHBondContact O-N 3.32Å; L437-L471 HydrophobicContact CD1-CD1 3.47Å; L437-L471 VanDerWaalsContact CD1-CD1 3.47Å; L437-L471 HydrophobicContact CD1-CG 4.2Å; L437-L471 HydrophobicContact CG-CD1 4.21Å; L437-L474 HydrophobicContact CD1-CB 4.25Å; L437-L475 HydrophobicContact CD1-CD1 4.42Å; L437-L475 HydrophobicContact CD1-CD2 3.84Å; L437-L475 HydrophobicContact CD1-CG 3.83Å; L437-L475 HydrophobicContact CD2-CD2 3.99Å; L437-A479 HydrophobicContact CB-CB 4.35Å; L437-A479 HydrophobicContact CD1-CB 3.99Å; L437-A479 HydrophobicContact CD2-CB 4.16Å; L437-A479 HydrophobicContact CG-CB 4.41Å; L437-P481 HydrophobicContact CD2-CB 4.03Å; L437-A491 HydrophobicContact CD2-CB 4.14Å; L437-A491 HydrophobicContact CG-CB 4.14Å; L437-L507 HydrophobicContact CD2-CD2 4.36Å |
| 438 | H | 91.1 | Very high | 79.9 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 175.5 | -68.4 | 80.4 | 0 | 0 | 0 | 111.4 | C434 T435 P436 A441 A442 M483 Y489 Y494 | C434-H438 HydrophobicContact CB-CB 4.17Å; T435-H438 PolarHBondContact N-ND1 3.42Å; T435-H438 VanDerWaalsContact N-ND1 3.15Å; T435-H438 WeakPolarHBondContact O-CB 3.48Å; T435-H438 PolarHBondContact O-N 2.98Å; T435-H438 PolarHBondContact OG1-ND1 3.14Å; P436-H438 PolarHBondContact O-N 3Å; H438-A441 PolarHBondContact O-N 2.95Å; H438-A442 WeakPolarHBondContact O-CB 3.41Å; H438-A442 PolarHBondContact O-N 3.09Å; H438-M483 PolarHBondContact CE1-O 2.83Å; H438-M483 PolarHBondContact NE2-O 3.01Å; H438-Y489 PolarHBondContact NE2-O 2.85Å; H438-Y489 VanDerWaalsContact NE2-O 3.17Å; H438-Y494 HydrophobicContact CB-CD2 4.44Å; H438-Y494 AromaticContact CD2-CD2 3.85Å; H438-Y494 AromaticContact CD2-CE2 3.89Å |
| 439 | Y | 90.4 | Very high | 77.1 | Confident | 46 Ų | 46 | 48.9 Ų | 48.9 | 18% | 0.18 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | 178 | -75.2 | -80.9 | 0 | 0 | 0 | 112.3 | H405 A409 D430 C434 T435 P436 L437 A442 S443 | H405-Y439 AromaticContact CD2-CD2 3.69Å; H405-Y439 AromaticContact CD2-CE2 3.67Å; A409-Y439 HydrophobicContact CB-CD1 3.9Å; A409-Y439 HydrophobicContact CB-CG 4.24Å; D430-Y439 WeakPolarHBondContact OD2-CE2 3.47Å; D430-Y439 PolarHBondContact OD2-OH 3.11Å; C434-Y439 HydrophobicContact CB-CD2 4.29Å; C434-Y439 HydrophobicContact CB-CE2 3.64Å; T435-Y439 WeakPolarHBondContact O-CD2 3.22Å; T435-Y439 PolarHBondContact O-N 3.2Å; P436-Y439 PolarHBondContact O-N 2.86Å; L437-Y439 VanDerWaalsContact C-N 3.34Å; L437-Y439 PolarHBondContact O-N 3.19Å; Y439-A442 CarbonylContact O-C 3.59Å; Y439-A442 PolarHBondContact O-N 3.17Å; Y439-S443 PolarHBondContact O-N 2.73Å |
| 440 | S | 89.8 | Confident | 74.3 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 174.1 | -164.9 | 0 | 0 | 0 | 0 | 111.7 | P436 L437 A442 S443 L471 N503 | P436-S440 WeakPolarHBondContact O-CB 3.41Å; P436-S440 PolarHBondContact O-N 3.35Å; L437-S440 PolarHBondContact O-N 2.88Å; S440-A442 VanDerWaalsContact C-N 3.32Å; S440-A442 PolarHBondContact O-N 3.44Å; S440-S443 WeakPolarHBondContact O-CB 3.3Å; S440-S443 PolarHBondContact O-N 3.25Å; S440-L471 WeakPolarHBondContact OG-CA 3.34Å; S440-L471 PolarHBondContact OG-N 3.12Å; S440-N503 PolarHBondContact O-ND2 3.08Å |
| 441 | A | 88.3 | Confident | 71.8 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -37.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L437 H438 S443 L471 A491 A495 N500 L507 | L437-A441 VanDerWaalsContact O-CB 3.27Å; L437-A441 WeakPolarHBondContact O-CB 3.22Å; L437-A441 PolarHBondContact O-N 3.32Å; H438-A441 PolarHBondContact O-N 2.95Å; A441-S443 VanDerWaalsContact C-N 3.27Å; A441-L471 HydrophobicContact CB-CD1 4.24Å; A441-A491 HydrophobicContact CB-CB 3.96Å; A441-A491 VanDerWaalsContact CB-O 3.32Å; A441-A491 WeakPolarHBondContact CB-O 3.32Å; A441-A495 HydrophobicContact CB-CB 4.21Å; A441-A495 WeakPolarHBondContact O-CA 3.46Å; A441-N500 PolarHBondContact O-ND2 3.3Å; A441-L507 HydrophobicContact CB-CD1 3.86Å |
| 442 | A | 86.1 | Confident | 69 | Low | 17 Ų | 17 | 58.9 Ų | 58.9 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 114 | H438 Y439 S440 Q444 Y494 | H438-A442 WeakPolarHBondContact O-CB 3.41Å; H438-A442 PolarHBondContact O-N 3.09Å; Y439-A442 CarbonylContact O-C 3.59Å; Y439-A442 PolarHBondContact O-N 3.17Å; S440-A442 VanDerWaalsContact C-N 3.32Å; S440-A442 PolarHBondContact O-N 3.44Å; A442-Q444 PolarHBondContact O-N 3.45Å; A442-Y494 HydrophobicContact CB-CD1 3.86Å; A442-Y494 HydrophobicContact CB-CG 4.48Å |
| 443 | S | 78.7 | Confident | 66.4 | Low | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 31% | 0.314 | C | S | . | . | trans | -67.2 | 121.1 | -171.6 | -174.2 | 0 | 0 | 0 | 0 | 110.7 | A409 G411 Y439 S440 A441 N500 | A409-S443 PolarHBondContact O-OG 3.08Å; G411-S443 PolarHBondContact N-OG 3.42Å; Y439-S443 PolarHBondContact O-N 2.73Å; S440-S443 WeakPolarHBondContact O-CB 3.3Å; S440-S443 PolarHBondContact O-N 3.25Å; A441-S443 VanDerWaalsContact C-N 3.27Å; S443-N500 PolarHBondContact O-ND2 3.41Å | ||
| 444 | Q | 65.6 | Low | 63.8 | Low | 74 Ų | 74 | 69.7 Ų | 69.7 | 35% | 0.346 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -125.3 | 19.1 | 163.4 | -84.2 | -170.6 | -2.7 | 0 | 0 | 110.8 | A442 H498 N500 | A442-Q444 PolarHBondContact O-N 3.45Å; Q444-H498 PolarHBondContact NE2-O 2.93Å; Q444-N500 VanDerWaalsContact CD-OD1 3.27Å; Q444-N500 WeakPolarHBondContact CG-OD1 3.39Å; Q444-N500 PolarHBondContact NE2-OD1 2.83Å |
| 445 | A | 53.2 | Low | 60.9 | Low | 30 Ų | 30 | 73.6 Ų | 73.6 | 25% | 0.248 | 38% | 0.378 | C | S | . | . | S | Bend | trans | 49 | 63.7 | -155.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S447 | A445-S447 PolarHBondContact O-N 3.14Š|
| 446 | F | 40.7 | Very low | 58 | Low | 180 Ų | 180 | 78.1 Ų | 78.1 | 79% | 0.789 | 40% | 0.402 | S | S | * | . | S | Bend | trans | 31.6 | 63.1 | 164.7 | -130.6 | -84.3 | 0 | 0 | 0 | 114.7 | R448 | F446-R448 PolarHBondContact O-N 3.36Š|
| 447 | S | 38.7 | Very low | 55.4 | Low | 68 Ų | 68 | 87 Ų | 87 | 48% | 0.476 | 44% | 0.443 | S | S | . | . | trans | -31.2 | 113.8 | -169.7 | -147.2 | 0 | 0 | 0 | 0 | 116.1 | A445 | A445-S447 PolarHBondContact O-N 3.14Š| ||
| 448 | R | 43.3 | Very low | 53 | Low | 231 Ų | 231 | 94.1 Ų | 94.1 | 87% | 0.872 | 48% | 0.477 | S | S | * | . | S | Bend | trans | 75.4 | 48.7 | 138 | -63.1 | 172 | 175.7 | -179.2 | 0.1 | 120.7 | F446 | F446-R448 PolarHBondContact O-N 3.36Š|
| 449 | T | 33 | Very low | 50.9 | Low | 87 Ų | 87 | 97.3 Ų | 97.3 | 53% | 0.534 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -123.8 | -30.5 | 162.8 | -28.7 | 0 | 0 | 0 | 0 | 116.6 | K1006 | T449-K1006 HydrophobicContact CG2-CD 4.13Å; T449-K1006 WeakPolarHBondContact O-CE 3.31Å; T449-K1006 PolarHBondContact O-NZ 3.1Å |
| 450 | D | 32.5 | Very low | 49 | Very low | 113 Ų | 113 | 99.3 Ų | 99.3 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -115.3 | 12.4 | -166.5 | -92.2 | -8.2 | 0 | 0 | 0 | 119.5 | K1006 | D450-K1006 WeakPolarHBondContact OD1-CG 3.42Š|
| 451 | R | 38.2 | Very low | 47.2 | Very low | 148 Ų | 148 | 105.6 Ų | 105.6 | 56% | 0.558 | 54% | 0.54 | S | S | * | . | trans | -109.7 | 76.3 | 174.4 | -67.8 | -168.8 | -173 | 168.5 | 8.4 | 113.1 | E463 | R451-E463 IonicContact CZ-OE1 3.21Å; R451-E463 IonicContact NH1-OE1 2.75Å; R451-E463 PolarHBondContact NH1-OE1 3.13Å; R451-E463 IonicContact NH1-OE2 3.45Å; R451-E463 IonicContact NH2-OE1 2.88Å; R451-E463 PolarHBondContact NH2-OE1 3.49Å | ||
| 452 | Q | 33.1 | Very low | 45.7 | Very low | 176 Ų | 176 | 109.6 Ų | 109.6 | 82% | 0.822 | 56% | 0.562 | S | S | * | * | trans | -103.7 | 11.9 | 163.1 | -88.8 | -173.4 | -19.3 | 0 | 0 | 113.7 | ||||
| 453 | F | 34.3 | Very low | 44.4 | Very low | 204 Ų | 204 | 110.8 Ų | 110.8 | 90% | 0.895 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -126.1 | 34.1 | 176.2 | -86.8 | -76.5 | 0 | 0 | 0 | 114.6 | ||
| 454 | S | 33.3 | Very low | 43.6 | Very low | 86 Ų | 86 | 114.3 Ų | 114.3 | 60% | 0.601 | 59% | 0.586 | S | S | * | * | trans | -148.1 | 108.2 | 158.6 | -148.5 | 0 | 0 | 0 | 0 | 109.8 | N456 | S454-N456 PolarHBondContact O-N 2.91Š| ||
| 455 | G | 30.8 | Very low | 43.7 | Very low | 83 Ų | 83 | 115.4 Ų | 115.4 | 86% | 0.856 | 59% | 0.59 | S | S | * | * | trans | -75.8 | 52.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 456 | N | 33.3 | Very low | 44.5 | Very low | 95 Ų | 95 | 117.2 Ų | 117.2 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | trans | -124.3 | 100.3 | 176.1 | -82.8 | -0.9 | 0 | 0 | 0 | 111 | S454 Q458 | S454-N456 PolarHBondContact O-N 2.91Å; N456-Q458 PolarHBondContact O-N 3.03Å; N456-Q458 VanDerWaalsContact O-N 3.08Å | ||
| 457 | H | 38.3 | Very low | 46.2 | Very low | 186 Ų | 186 | 108.9 Ų | 108.9 | 86% | 0.861 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 6.9 | 167.3 | -87.1 | -64.2 | 0 | 0 | 0 | 113.8 | ||
| 458 | Q | 39.9 | Very low | 48.3 | Very low | 150 Ų | 150 | 108.9 Ų | 108.9 | 70% | 0.701 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.6 | -19 | 179.5 | -75.6 | 171.5 | -18.6 | 0 | 0 | 114 | N456 T460 | N456-Q458 PolarHBondContact O-N 3.03Å; N456-Q458 VanDerWaalsContact O-N 3.08Å; Q458-T460 PolarHBondContact O-N 3.44Å |
| 459 | N | 48.7 | Very low | 50.3 | Low | 68 Ų | 68 | 102 Ų | 102 | 36% | 0.364 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -81.8 | -9.6 | -171.9 | -70.2 | 13.8 | 0 | 0 | 0 | 115 | E463 | N459-E463 WeakPolarHBondContact O-CG 3.5Å; N459-E463 PolarHBondContact O-N 3.3Å |
| 460 | T | 48.9 | Very low | 52.9 | Low | 88 Ų | 88 | 97.8 Ų | 97.8 | 54% | 0.54 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74 | -31.9 | -174.1 | 45.1 | 0 | 0 | 0 | 0 | 113.4 | Q458 T464 | Q458-T460 PolarHBondContact O-N 3.44Å; T460-T464 WeakPolarHBondContact O-CG2 3.41Å; T460-T464 PolarHBondContact O-OG1 3.5Å |
| 461 | E | 52.9 | Low | 55.6 | Low | 132 Ų | 132 | 92.4 Ų | 92.4 | 62% | 0.617 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -73 | -38 | 176.4 | -67.4 | -172.8 | -178.7 | 0 | 0 | 111.2 | T464 K465 | E461-T464 PolarHBondContact O-N 2.94Å; E461-T464 PolarHBondContact O-OG1 2.85Å; E461-K465 VanDerWaalsContact O-CG 3.3Å; E461-K465 WeakPolarHBondContact O-CG 3.36Å; E461-K465 PolarHBondContact O-N 3.36Å; E461-K465 VanDerWaalsContact O-N 3.14Å |
| 462 | D | 57.1 | Low | 58 | Low | 84 Ų | 84 | 88.2 Ų | 88.2 | 45% | 0.449 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -70.6 | -37.8 | -177.5 | -65.8 | -20.7 | 0 | 0 | 0 | 112.2 | T464 K465 E466 | D462-T464 PolarHBondContact O-N 3.25Å; D462-K465 PolarHBondContact O-N 3.48Å; D462-K465 IonicContact OD1-NZ 2.76Å; D462-K465 PolarHBondContact OD1-NZ 3.45Å; D462-E466 WeakPolarHBondContact O-CG 3.45Å; D462-E466 PolarHBondContact O-N 3.28Å |
| 463 | E | 58.8 | Low | 60.8 | Low | 41 Ų | 41 | 81.2 Ų | 81.2 | 19% | 0.192 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | 175.9 | -71.1 | -176.7 | 155.9 | 0 | 0 | 112.9 | R451 N459 E466 S467 | R451-E463 IonicContact CZ-OE1 3.21Å; R451-E463 IonicContact NH1-OE1 2.75Å; R451-E463 PolarHBondContact NH1-OE1 3.13Å; R451-E463 IonicContact NH1-OE2 3.45Å; R451-E463 IonicContact NH2-OE1 2.88Å; R451-E463 PolarHBondContact NH2-OE1 3.49Å; N459-E463 WeakPolarHBondContact O-CG 3.5Å; N459-E463 PolarHBondContact O-N 3.3Å; E463-E466 PolarHBondContact O-N 2.68Å; E463-S467 PolarHBondContact O-N 3Å |
| 464 | T | 60.3 | Low | 63.5 | Low | 77 Ų | 77 | 71.5 Ų | 71.5 | 47% | 0.472 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 174.5 | 57.9 | 0 | 0 | 0 | 0 | 112 | T460 E461 D462 S467 Y468 | T460-T464 WeakPolarHBondContact O-CG2 3.41Å; T460-T464 PolarHBondContact O-OG1 3.5Å; E461-T464 PolarHBondContact O-N 2.94Å; E461-T464 PolarHBondContact O-OG1 2.85Å; D462-T464 PolarHBondContact O-N 3.25Å; T464-S467 PolarHBondContact O-N 3.34Å; T464-S467 PolarHBondContact O-OG 3.21Å; T464-Y468 PolarHBondContact O-N 3.42Å |
| 465 | K | 68.2 | Low | 66.2 | Low | 97 Ų | 97 | 67.8 Ų | 67.8 | 42% | 0.422 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 173.2 | -69 | 168.4 | -166 | 160.6 | 0 | 111.2 | E461 D462 S467 Y468 F469 | E461-K465 VanDerWaalsContact O-CG 3.3Å; E461-K465 WeakPolarHBondContact O-CG 3.36Å; E461-K465 PolarHBondContact O-N 3.36Å; E461-K465 VanDerWaalsContact O-N 3.14Å; D462-K465 PolarHBondContact O-N 3.48Å; D462-K465 IonicContact OD1-NZ 2.76Å; D462-K465 PolarHBondContact OD1-NZ 3.45Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 2.85Å; K465-Y468 WeakPolarHBondContact O-CB 3.35Å; K465-Y468 PolarHBondContact O-N 3.4Å; K465-F469 HydrophobicContact CB-CD2 4.38Å; K465-F469 HydrophobicContact CB-CE2 4.03Å; K465-F469 WeakPolarHBondContact O-CD2 3.21Å; K465-F469 WeakPolarHBondContact O-CG 3.4Å; K465-F469 PolarHBondContact O-N 3.06Å |
| 466 | E | 71.3 | Confident | 69 | Low | 68 Ų | 68 | 69.6 Ų | 69.6 | 32% | 0.318 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 176.3 | -73.7 | -175.7 | 172.1 | 0 | 0 | 112.3 | G411 D462 E463 Y468 F469 C470 | G411-E466 WeakPolarHBondContact O-CB 3.33Å; D462-E466 WeakPolarHBondContact O-CG 3.45Å; D462-E466 PolarHBondContact O-N 3.28Å; E463-E466 PolarHBondContact O-N 2.68Å; E466-Y468 VanDerWaalsContact C-N 3.35Å; E466-Y468 PolarHBondContact O-N 3.32Å; E466-F469 PolarHBondContact O-N 3.05Å; E466-C470 PolarHBondContact O-N 3.18Å; E466-C470 PolarHBondContact O-SG 2.69Å |
| 467 | S | 74.8 | Confident | 71.7 | Confident | 5 Ų | 5 | 68.6 Ų | 68.6 | 4% | 0.035 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -37 | 176.6 | 74.9 | 0 | 0 | 0 | 0 | 113.2 | E463 T464 K465 C470 L471 | E463-S467 PolarHBondContact O-N 3Å; T464-S467 PolarHBondContact O-N 3.34Å; T464-S467 PolarHBondContact O-OG 3.21Å; K465-S467 VanDerWaalsContact C-N 3.32Å; K465-S467 PolarHBondContact O-N 2.85Å; S467-C470 WeakPolarHBondContact O-CB 3.31Å; S467-C470 PolarHBondContact O-N 2.98Å; S467-L471 PolarHBondContact O-N 3.21Å |
| 468 | Y | 83 | Confident | 74.1 | Confident | 67 Ų | 67 | 62 Ų | 62 | 26% | 0.263 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -49.7 | 173.7 | 173.1 | -87.9 | 0 | 0 | 0 | 110.6 | T464 K465 E466 C470 L471 E472 Q502 L506 | T464-Y468 PolarHBondContact O-N 3.42Å; K465-Y468 WeakPolarHBondContact O-CB 3.35Å; K465-Y468 PolarHBondContact O-N 3.4Å; E466-Y468 VanDerWaalsContact C-N 3.35Å; E466-Y468 PolarHBondContact O-N 3.32Å; Y468-C470 VanDerWaalsContact C-N 3.26Å; Y468-C470 PolarHBondContact O-N 3.11Å; Y468-L471 WeakPolarHBondContact O-CB 3.2Å; Y468-L471 PolarHBondContact O-N 2.83Å; Y468-E472 HydrophobicContact CE1-CB 4.41Å; Y468-E472 WeakPolarHBondContact O-CB 3.37Å; Y468-E472 PolarHBondContact O-N 3.41Å; Y468-Q502 HydrophobicContact CD2-CB 3.85Å; Y468-Q502 HydrophobicContact CE2-CB 4.33Å; Y468-L506 HydrophobicContact CE2-CB 4.13Å; Y468-L506 HydrophobicContact CE2-CD2 3.95Å |
| 469 | F | 85.2 | Confident | 76.4 | Confident | 86 Ų | 86 | 55.2 Ų | 55.2 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63 | -31.3 | 177.8 | -66.3 | -55 | 0 | 0 | 0 | 112.7 | Y413 K465 E466 E472 H473 | Y413-F469 HydrophobicContact CD1-CB 4.3Å; Y413-F469 VanDerWaalsContact CD2-C 3.44Å; Y413-F469 HydrophobicContact CD2-CB 3.53Å; Y413-F469 WeakPolarHBondContact CD2-O 3.49Å; Y413-F469 HydrophobicContact CE2-CB 3.78Å; Y413-F469 WeakPolarHBondContact CE2-O 3.4Å; Y413-F469 HydrophobicContact CG-CB 3.81Å; K465-F469 HydrophobicContact CB-CD2 4.38Å; K465-F469 HydrophobicContact CB-CE2 4.03Å; K465-F469 WeakPolarHBondContact O-CD2 3.21Å; K465-F469 WeakPolarHBondContact O-CG 3.4Å; K465-F469 PolarHBondContact O-N 3.06Å; E466-F469 PolarHBondContact O-N 3.05Å; F469-E472 WeakPolarHBondContact CD1-OE2 3.22Å; F469-H473 WeakPolarHBondContact O-CB 3.42Å; F469-H473 PolarHBondContact O-N 3.09Å |
| 470 | C | 87.7 | Confident | 78.2 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -49.6 | 170.6 | -70.3 | 0 | 0 | 0 | 0 | 111.3 | Y413 E466 S467 Y468 H473 L474 | Y413-C470 WeakPolarHBondContact CA-SG 3.29Å; Y413-C470 PolarHBondContact N-SG 3.31Å; E466-C470 PolarHBondContact O-N 3.18Å; E466-C470 PolarHBondContact O-SG 2.69Å; S467-C470 WeakPolarHBondContact O-CB 3.31Å; S467-C470 PolarHBondContact O-N 2.98Å; Y468-C470 VanDerWaalsContact C-N 3.26Å; Y468-C470 PolarHBondContact O-N 3.11Å; C470-H473 PolarHBondContact O-N 3.38Å; C470-L474 VanDerWaalsContact O-CG 3.24Å; C470-L474 WeakPolarHBondContact O-CG 3.23Å; C470-L474 PolarHBondContact O-N 2.92Å |
| 471 | L | 89.1 | Confident | 79.9 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.5 | -48.2 | -176.3 | -168.6 | 78.5 | 0 | 0 | 0 | 110.7 | L437 S440 A441 S467 Y468 H473 L474 L475 N503 L506 L507 | L437-L471 HydrophobicContact CD1-CD1 3.47Å; L437-L471 VanDerWaalsContact CD1-CD1 3.47Å; L437-L471 HydrophobicContact CD1-CG 4.2Å; L437-L471 HydrophobicContact CG-CD1 4.21Å; S440-L471 WeakPolarHBondContact OG-CA 3.34Å; S440-L471 PolarHBondContact OG-N 3.12Å; A441-L471 HydrophobicContact CB-CD1 4.24Å; S467-L471 PolarHBondContact O-N 3.21Å; Y468-L471 WeakPolarHBondContact O-CB 3.2Å; Y468-L471 PolarHBondContact O-N 2.83Å; L471-H473 PolarHBondContact O-N 2.85Å; L471-L474 PolarHBondContact O-N 3.23Å; L471-L475 HydrophobicContact CG-CD1 4.11Å; L471-L475 WeakPolarHBondContact O-CG 3.31Å; L471-L475 PolarHBondContact O-N 2.99Å; L471-N503 HydrophobicContact CD2-CB 3.51Å; L471-L506 HydrophobicContact CD2-CD2 4.24Å; L471-L507 HydrophobicContact CD2-CD1 4.23Å; L471-L507 HydrophobicContact CD2-CD2 4.41Å; L471-L507 HydrophobicContact CD2-CG 3.99Å |
| 472 | E | 89.6 | Confident | 81.3 | Confident | 60 Ų | 60 | 47.7 Ų | 47.7 | 28% | 0.28 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -55.6 | -49.5 | 175.9 | -174.9 | 176.6 | -133.6 | 0 | 0 | 111 | Y468 F469 L474 L475 D476 L506 | Y468-E472 HydrophobicContact CE1-CB 4.41Å; Y468-E472 WeakPolarHBondContact O-CB 3.37Å; Y468-E472 PolarHBondContact O-N 3.41Å; F469-E472 WeakPolarHBondContact CD1-OE2 3.22Å; E472-L474 PolarHBondContact O-N 3.38Å; E472-L475 PolarHBondContact O-N 3.45Å; E472-L475 VanDerWaalsContact O-N 3.15Å; E472-D476 PolarHBondContact O-N 3.13Å; E472-L506 HydrophobicContact CB-CD2 3.84Å; E472-L506 HydrophobicContact CG-CD2 4.41Å |
| 473 | H | 90.8 | Very high | 82.6 | Confident | 29 Ų | 29 | 45.8 Ų | 45.8 | 13% | 0.134 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -36.1 | 179.7 | -172.4 | 70.7 | 0 | 0 | 0 | 113.6 | Y413 F469 C470 L471 N477 | Y413-H473 HydrophobicContact CE2-CB 3.93Å; F469-H473 WeakPolarHBondContact O-CB 3.42Å; F469-H473 PolarHBondContact O-N 3.09Å; C470-H473 PolarHBondContact O-N 3.38Å; L471-H473 PolarHBondContact O-N 2.85Å; H473-N477 PolarHBondContact CE1-ND2 3.31Å; H473-N477 PolarHBondContact ND1-ND2 3.03Å; H473-N477 PolarHBondContact NE2-ND2 3.48Å; H473-N477 PolarHBondContact O-N 3.35Å; H473-N477 PolarHBondContact O-ND2 3.23Å |
| 474 | L | 91.6 | Very high | 83.9 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64 | -43.6 | 174.2 | -71.2 | 168.1 | 0 | 0 | 0 | 110.6 | L404 A408 T416 V420 V426 P436 L437 C470 L471 E472 N477 G478 A479 | L404-L474 HydrophobicContact CD1-CD2 4.28Å; L404-L474 HydrophobicContact CD2-CD2 4.25Å; L404-L474 HydrophobicContact CG-CD2 4.47Å; A408-L474 HydrophobicContact CB-CD1 4.23Å; T416-L474 HydrophobicContact CG2-CD1 4.47Å; T416-L474 HydrophobicContact CG2-CD2 3.83Å; T416-L474 HydrophobicContact CG2-CG 4Å; V420-L474 HydrophobicContact CG2-CD2 4.35Å; V426-L474 HydrophobicContact CG1-CB 4.36Å; V426-L474 HydrophobicContact CG1-CD2 3.86Å; P436-L474 HydrophobicContact CB-CD1 4.4Å; L437-L474 HydrophobicContact CD1-CB 4.25Å; C470-L474 VanDerWaalsContact O-CG 3.24Å; C470-L474 WeakPolarHBondContact O-CG 3.23Å; C470-L474 PolarHBondContact O-N 2.92Å; L471-L474 PolarHBondContact O-N 3.23Å; E472-L474 PolarHBondContact O-N 3.38Å; L474-N477 CarbonylContact O-C 3.59Å; L474-N477 PolarHBondContact O-N 3.4Å; L474-G478 PolarHBondContact O-N 2.89Å; L474-A479 VanDerWaalsContact C-CB 3.48Å; L474-A479 HydrophobicContact CB-CB 4.05Å; L474-A479 WeakPolarHBondContact O-CB 3.37Å; L474-A479 PolarHBondContact O-N 3.4Å |
| 475 | L | 90.1 | Very high | 85.2 | Confident | 8 Ų | 8 | 43.4 Ų | 43.4 | 4% | 0.042 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.3 | -44.1 | 178.2 | -70.3 | 164.5 | 0 | 0 | 0 | 111.9 | L437 L471 E472 N477 G478 A479 P481 L506 L507 M510 | L437-L475 HydrophobicContact CD1-CD1 4.42Å; L437-L475 HydrophobicContact CD1-CD2 3.84Å; L437-L475 HydrophobicContact CD1-CG 3.83Å; L437-L475 HydrophobicContact CD2-CD2 3.99Å; L471-L475 HydrophobicContact CG-CD1 4.11Å; L471-L475 WeakPolarHBondContact O-CG 3.31Å; L471-L475 PolarHBondContact O-N 2.99Å; E472-L475 PolarHBondContact O-N 3.45Å; E472-L475 VanDerWaalsContact O-N 3.15Å; L475-N477 PolarHBondContact O-N 3.43Å; L475-G478 PolarHBondContact O-N 3.03Å; L475-G478 VanDerWaalsContact O-N 3.08Å; L475-A479 HydrophobicContact CD2-CB 4.37Å; L475-P481 HydrophobicContact CD2-CB 4.44Å; L475-P481 HydrophobicContact CD2-CG 4.45Å; L475-L506 HydrophobicContact CD1-CD2 3.98Å; L475-L506 HydrophobicContact CD1-CG 4.05Å; L475-L507 HydrophobicContact CD1-CD2 4.24Å; L475-M510 HydrophobicContact CB-CE 3.82Å; L475-M510 HydrophobicContact CB-SD 3.66Å; L475-M510 HydrophobicContact CD1-SD 3.64Å; L475-M510 HydrophobicContact CD2-CE 4.24Å; L475-M510 HydrophobicContact CD2-SD 4.12Å; L475-M510 HydrophobicContact CG-CE 4.45Å; L475-M510 HydrophobicContact CG-SD 3.99Å |
| 476 | D | 89.4 | Confident | 86.1 | Confident | 120 Ų | 120 | 43.3 Ų | 43.3 | 64% | 0.642 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -59.6 | -29.4 | 175.3 | -75.5 | -16.6 | 0 | 0 | 0 | 112.9 | E472 | E472-D476 PolarHBondContact O-N 3.13Å |
| 477 | N | 90.6 | Very high | 86.6 | Confident | 74 Ų | 74 | 47.2 Ų | 47.2 | 40% | 0.396 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 20.9 | 179 | -72 | -87.5 | 0 | 0 | 0 | 113.4 | V420 V426 H473 L474 L475 | V420-N477 HydrophobicContact CG1-CB 3.99Å; V426-N477 HydrophobicContact CG2-CB 4.42Å; H473-N477 PolarHBondContact CE1-ND2 3.31Å; H473-N477 PolarHBondContact ND1-ND2 3.03Å; H473-N477 PolarHBondContact NE2-ND2 3.48Å; H473-N477 PolarHBondContact O-N 3.35Å; H473-N477 PolarHBondContact O-ND2 3.23Å; L474-N477 CarbonylContact O-C 3.59Å; L474-N477 PolarHBondContact O-N 3.4Å; L475-N477 PolarHBondContact O-N 3.43Å |
| 478 | G | 87.7 | Confident | 87 | Confident | 49 Ų | 49 | 47.8 Ų | 47.8 | 51% | 0.505 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.8 | 24 | 170.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | N427 L474 L475 | N427-G478 PolarHBondContact ND2-O 3.03Å; L474-G478 PolarHBondContact O-N 2.89Å; L475-G478 PolarHBondContact O-N 3.03Å; L475-G478 VanDerWaalsContact O-N 3.08Å |
| 479 | A | 89.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | trans | -64.2 | 133.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | V426 N427 L437 L474 L475 P481 | V426-A479 HydrophobicContact CG1-CB 3.56Å; N427-A479 VanDerWaalsContact OD1-CA 3.3Å; N427-A479 WeakPolarHBondContact OD1-CA 3.28Å; L437-A479 HydrophobicContact CB-CB 4.35Å; L437-A479 HydrophobicContact CD1-CB 3.99Å; L437-A479 HydrophobicContact CD2-CB 4.16Å; L437-A479 HydrophobicContact CG-CB 4.41Å; L474-A479 VanDerWaalsContact C-CB 3.48Å; L474-A479 HydrophobicContact CB-CB 4.05Å; L474-A479 WeakPolarHBondContact O-CB 3.37Å; L474-A479 PolarHBondContact O-N 3.4Å; L475-A479 HydrophobicContact CD2-CB 4.37Å; A479-P481 WeakPolarHBondContact O-CD 3.38Å | ||
| 480 | D | 86.1 | Confident | 87.3 | Confident | 61 Ų | 61 | 42.8 Ų | 42.8 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | trans | -95.1 | 112 | -179.6 | -177 | -3.3 | 0 | 0 | 0 | 111.5 | N427 S482 M483 | N427-D480 PolarHBondContact OD1-N 3.27Å; D480-S482 VanDerWaalsContact C-N 3.26Å; D480-S482 VanDerWaalsContact CG-OG 3.23Å; D480-S482 PolarHBondContact O-N 3.48Å; D480-S482 VanDerWaalsContact OD1-CB 3.29Å; D480-S482 WeakPolarHBondContact OD1-CB 3.22Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 PolarHBondContact OD1-OG 3.45Å; D480-S482 PolarHBondContact OD2-OG 3.31Å; D480-S482 VanDerWaalsContact OD2-OG 3.13Å; D480-M483 HydrophobicContact CB-CG 3.84Å; D480-M483 HydrophobicContact CB-SD 4.1Å | ||
| 481 | P | 84.6 | Confident | 87.3 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 13% | 0.13 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -13.2 | 179 | 31.4 | -35.6 | 0 | 0 | 0 | 114 | L437 L475 A479 L507 | L437-P481 HydrophobicContact CD2-CB 4.03Å; L475-P481 HydrophobicContact CD2-CB 4.44Å; L475-P481 HydrophobicContact CD2-CG 4.45Å; A479-P481 WeakPolarHBondContact O-CD 3.38Å; P481-L507 HydrophobicContact CB-CD2 4.18Å |
| 482 | S | 82.2 | Confident | 87.3 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 34% | 0.343 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -15.8 | 179 | 76.2 | 0 | 0 | 0 | 0 | 113.3 | D480 V484 | D480-S482 VanDerWaalsContact C-N 3.26Å; D480-S482 VanDerWaalsContact CG-OG 3.23Å; D480-S482 PolarHBondContact O-N 3.48Å; D480-S482 VanDerWaalsContact OD1-CB 3.29Å; D480-S482 WeakPolarHBondContact OD1-CB 3.22Å; D480-S482 PolarHBondContact OD1-N 3.17Å; D480-S482 PolarHBondContact OD1-OG 3.45Å; D480-S482 PolarHBondContact OD2-OG 3.31Å; D480-S482 VanDerWaalsContact OD2-OG 3.13Å; S482-V484 PolarHBondContact O-N 3.21Å |
| 483 | M | 85.2 | Confident | 87.2 | Confident | 44 Ų | 44 | 40.2 Ų | 40.2 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | trans | -61.5 | 135.5 | 177.5 | -65.8 | -173.5 | 82.1 | 0 | 0 | 110.7 | N427 Q429 T435 H438 D480 | N427-M483 HydrophobicContact CB-SD 3.94Å; Q429-M483 HydrophobicContact CG-CE 3.94Å; T435-M483 HydrophobicContact CG2-CB 4.38Å; T435-M483 HydrophobicContact CG2-CE 4.08Å; T435-M483 HydrophobicContact CG2-SD 3.8Å; H438-M483 PolarHBondContact CE1-O 2.83Å; H438-M483 PolarHBondContact NE2-O 3.01Å; D480-M483 HydrophobicContact CB-CG 3.84Å; D480-M483 HydrophobicContact CB-SD 4.1Å | ||
| 484 | V | 86.1 | Confident | 87.1 | Confident | 56 Ų | 56 | 41.8 Ų | 41.8 | 34% | 0.339 | 24% | 0.239 | S | C | . | . | B | Isolated β-bridge | trans | -115.7 | 149.5 | 178.7 | -65.5 | 0 | 0 | 0 | 0 | 110.8 | S482 G488 Y489 | S482-V484 PolarHBondContact O-N 3.21Å; V484-G488 VanDerWaalsContact CG1-O 3.26Å; V484-G488 WeakPolarHBondContact CG1-O 3.21Å; V484-Y489 WeakPolarHBondContact CA-O 3.46Å |
| 485 | N | 87.5 | Confident | 87 | Confident | 11 Ų | 11 | 41.8 Ų | 41.8 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | trans | -75.1 | 179.3 | 172.2 | 75.9 | 6.6 | 0 | 0 | 0 | 111.9 | T432 K487 G488 Y489 Y494 | T432-N485 WeakPolarHBondContact O-CB 3.49Å; N485-K487 PolarHBondContact O-N 3.32Å; N485-K487 WeakPolarHBondContact OD1-CA 3.4Å; N485-K487 WeakPolarHBondContact OD1-CB 3.35Å; N485-K487 PolarHBondContact OD1-N 3.06Å; N485-G488 PolarHBondContact O-N 2.95Å; N485-G488 PolarHBondContact OD1-N 2.98Å; N485-Y489 PolarHBondContact N-O 3.22Å; N485-Y489 PolarHBondContact OD1-N 3.28Å; N485-Y494 PolarHBondContact ND2-OH 3.14Å | ||
| 486 | S | 86.4 | Confident | 86.9 | Confident | 95 Ų | 95 | 41.4 Ų | 41.4 | 66% | 0.664 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -17.6 | 177.4 | 53.9 | 0 | 0 | 0 | 0 | 115.4 | T432 | T432-S486 VanDerWaalsContact O-CB 3.26Å; T432-S486 WeakPolarHBondContact O-CB 3.43Å; T432-S486 PolarHBondContact O-N 3.49Å; T432-S486 PolarHBondContact O-OG 3.49Å |
| 487 | K | 81.4 | Confident | 86.9 | Confident | 151 Ų | 151 | 39.4 Ų | 39.4 | 66% | 0.657 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 0.1 | 176.3 | -62.2 | -177.2 | 179 | 179.3 | 0 | 113.3 | N485 Y489 | N485-K487 PolarHBondContact O-N 3.32Å; N485-K487 WeakPolarHBondContact OD1-CA 3.4Å; N485-K487 WeakPolarHBondContact OD1-CB 3.35Å; N485-K487 PolarHBondContact OD1-N 3.06Å; K487-Y489 HydrophobicContact CB-CD2 3.77Å; K487-Y489 HydrophobicContact CB-CE2 3.88Å; K487-Y489 HydrophobicContact CD-CD2 4.34Å; K487-Y489 HydrophobicContact CD-CE2 4.07Å |
| 488 | G | 83.3 | Confident | 86.7 | Confident | 16 Ų | 16 | 38.9 Ų | 38.9 | 17% | 0.165 | 22% | 0.215 | C | C | . | . | S | Bend | trans | 86.4 | 2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V484 N485 I522 | V484-G488 VanDerWaalsContact CG1-O 3.26Å; V484-G488 WeakPolarHBondContact CG1-O 3.21Å; N485-G488 PolarHBondContact O-N 2.95Å; N485-G488 PolarHBondContact OD1-N 2.98Å; G488-I522 WeakPolarHBondContact O-CD1 3.46Å |
| 489 | Y | 85.8 | Confident | 86.6 | Confident | 48 Ų | 48 | 37.2 Ų | 37.2 | 19% | 0.188 | 20% | 0.199 | C | C | . | . | trans | -81.3 | 128.2 | -178.9 | -62.2 | -52.5 | 0 | 0 | 0 | 112.1 | H438 V484 N485 K487 H493 I522 L529 | H438-Y489 PolarHBondContact NE2-O 2.85Å; H438-Y489 VanDerWaalsContact NE2-O 3.17Å; V484-Y489 WeakPolarHBondContact CA-O 3.46Å; N485-Y489 PolarHBondContact N-O 3.22Å; N485-Y489 PolarHBondContact OD1-N 3.28Å; K487-Y489 HydrophobicContact CB-CD2 3.77Å; K487-Y489 HydrophobicContact CB-CE2 3.88Å; K487-Y489 HydrophobicContact CD-CD2 4.34Å; K487-Y489 HydrophobicContact CD-CE2 4.07Å; Y489-H493 HydrophobicContact CD1-CB 3.99Å; Y489-H493 AromaticContact CD1-CD2 3.56Å; Y489-H493 AromaticContact CD1-CG 3.78Å; Y489-H493 HydrophobicContact CG-CB 4.31Å; Y489-I522 HydrophobicContact CD1-CG2 4.1Å; Y489-I522 HydrophobicContact CE1-CG2 3.78Å; Y489-L529 HydrophobicContact CE1-CD1 4.38Å | ||
| 490 | S | 88.6 | Confident | 86.4 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.007 | 20% | 0.2 | C | C | . | . | B | Isolated β-bridge | trans | -88.4 | 174 | 172.4 | 68.3 | 0 | 0 | 0 | 0 | 112.8 | V492 H493 Y494 | S490-V492 PolarHBondContact O-N 3.17Å; S490-H493 PolarHBondContact N-ND1 3.34Å; S490-H493 WeakPolarHBondContact O-CB 3.43Å; S490-H493 PolarHBondContact O-N 3.16Å; S490-H493 PolarHBondContact OG-ND1 3.5Å; S490-Y494 PolarHBondContact O-N 3.06Å |
| 491 | A | 88.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.1 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L437 A441 H493 Y494 A495 L507 | L437-A491 HydrophobicContact CD2-CB 4.14Å; L437-A491 HydrophobicContact CG-CB 4.14Å; A441-A491 HydrophobicContact CB-CB 3.96Å; A441-A491 VanDerWaalsContact CB-O 3.32Å; A441-A491 WeakPolarHBondContact CB-O 3.32Å; A491-H493 VanDerWaalsContact C-N 3.32Å; A491-H493 PolarHBondContact O-N 3.35Å; A491-Y494 PolarHBondContact O-N 3.47Å; A491-A495 PolarHBondContact O-N 3.39Å; A491-L507 HydrophobicContact CB-CD1 4.08Å; A491-L507 HydrophobicContact CB-CD2 4.14Å |
| 492 | V | 88 | Confident | 86.3 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | 176.4 | 178.6 | 0 | 0 | 0 | 0 | 111.5 | S490 Y494 A495 A496 L504 L507 L508 L515 P526 L542 | S490-V492 PolarHBondContact O-N 3.17Å; V492-Y494 VanDerWaalsContact C-N 3.34Å; V492-Y494 PolarHBondContact O-N 2.88Å; V492-A495 PolarHBondContact O-N 3.16Å; V492-A496 VanDerWaalsContact O-CB 3.29Å; V492-A496 WeakPolarHBondContact O-CB 3.44Å; V492-A496 PolarHBondContact O-N 2.99Å; V492-L504 HydrophobicContact CG1-CD1 3.75Å; V492-L507 HydrophobicContact CG2-CB 4.1Å; V492-L508 HydrophobicContact CG1-CD2 4.24Å; V492-L515 HydrophobicContact CB-CD2 4.49Å; V492-L515 HydrophobicContact CG1-CD2 4.18Å; V492-L515 HydrophobicContact CG2-CD2 4.45Å; V492-P526 HydrophobicContact CG1-CB 4.25Å; V492-P526 HydrophobicContact CG1-CG 4.1Å; V492-L542 HydrophobicContact CG1-CD2 4.36Å |
| 493 | H | 87.9 | Confident | 86.6 | Confident | 4 Ų | 4 | 39.5 Ų | 39.5 | 2% | 0.019 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -64.1 | -40.3 | 177.8 | -66.8 | 82.8 | 0 | 0 | 0 | 111.6 | Y489 S490 A491 Y497 I522 P526 L529 | Y489-H493 HydrophobicContact CD1-CB 3.99Å; Y489-H493 AromaticContact CD1-CD2 3.56Å; Y489-H493 AromaticContact CD1-CG 3.78Å; Y489-H493 HydrophobicContact CG-CB 4.31Å; S490-H493 PolarHBondContact N-ND1 3.34Å; S490-H493 WeakPolarHBondContact O-CB 3.43Å; S490-H493 PolarHBondContact O-N 3.16Å; S490-H493 PolarHBondContact OG-ND1 3.5Å; A491-H493 VanDerWaalsContact C-N 3.32Å; A491-H493 PolarHBondContact O-N 3.35Å; H493-Y497 VanDerWaalsContact O-CB 3.28Å; H493-Y497 WeakPolarHBondContact O-CB 3.47Å; H493-Y497 PolarHBondContact O-N 3.21Å; H493-I522 VanDerWaalsContact CE1-CD1 3.41Å; H493-I522 WeakPolarHBondContact CE1-CD1 3.16Å; H493-P526 WeakPolarHBondContact NE2-CD 3.43Å; H493-L529 HydrophobicContact CB-CD1 3.91Å |
| 494 | Y | 88.8 | Confident | 86.6 | Confident | 62 Ų | 62 | 37.4 Ų | 37.4 | 24% | 0.243 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.1 | -81.9 | -99.7 | 0 | 0 | 0 | 111.7 | C434 H438 A442 N485 S490 A491 V492 A496 Y497 H498 | C434-Y494 PolarHBondContact SG-OH 2.97Å; H438-Y494 HydrophobicContact CB-CD2 4.44Å; H438-Y494 AromaticContact CD2-CD2 3.85Å; H438-Y494 AromaticContact CD2-CE2 3.89Å; A442-Y494 HydrophobicContact CB-CD1 3.86Å; A442-Y494 HydrophobicContact CB-CG 4.48Å; N485-Y494 PolarHBondContact ND2-OH 3.14Å; S490-Y494 PolarHBondContact O-N 3.06Å; A491-Y494 PolarHBondContact O-N 3.47Å; V492-Y494 VanDerWaalsContact C-N 3.34Å; V492-Y494 PolarHBondContact O-N 2.88Å; Y494-A496 PolarHBondContact O-N 3.5Å; Y494-Y497 PolarHBondContact O-N 3.37Å; Y494-H498 PolarHBondContact O-CD2 2.6Å; Y494-H498 VanDerWaalsContact O-CD2 3.31Å; Y494-H498 PolarHBondContact O-N 3.02Å; Y494-H498 VanDerWaalsContact O-N 3.08Å |
| 495 | A | 89.1 | Confident | 86.7 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A441 A491 V492 H498 G499 N500 L504 L507 | A441-A495 HydrophobicContact CB-CB 4.21Å; A441-A495 WeakPolarHBondContact O-CA 3.46Å; A491-A495 PolarHBondContact O-N 3.39Å; V492-A495 PolarHBondContact O-N 3.16Å; A495-H498 PolarHBondContact O-N 2.88Å; A495-G499 PolarHBondContact O-N 3.46Å; A495-N500 PolarHBondContact O-N 2.85Å; A495-L504 HydrophobicContact CB-CB 4.33Å; A495-L504 HydrophobicContact CB-CD1 3.9Å; A495-L507 HydrophobicContact CB-CD1 4.02Å |
| 496 | A | 88.9 | Confident | 86.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66 | -43.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V492 Y494 H498 G499 P526 A530 L542 | V492-A496 VanDerWaalsContact O-CB 3.29Å; V492-A496 WeakPolarHBondContact O-CB 3.44Å; V492-A496 PolarHBondContact O-N 2.99Å; Y494-A496 PolarHBondContact O-N 3.5Å; A496-H498 VanDerWaalsContact C-N 3.31Å; A496-H498 PolarHBondContact O-N 3.17Å; A496-G499 PolarHBondContact O-N 3.33Å; A496-P526 HydrophobicContact CB-CB 3.86Å; A496-A530 HydrophobicContact CB-CB 4.36Å; A496-L542 HydrophobicContact CB-CD1 3.93Å |
| 497 | Y | 88.9 | Confident | 86.6 | Confident | 78 Ų | 78 | 33.6 Ų | 33.6 | 31% | 0.306 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -62.8 | -35.5 | 177.5 | 179.4 | -92.3 | 0 | 0 | 0 | 112.9 | H493 Y494 L529 R533 H535 | H493-Y497 VanDerWaalsContact O-CB 3.28Å; H493-Y497 WeakPolarHBondContact O-CB 3.47Å; H493-Y497 PolarHBondContact O-N 3.21Å; Y494-Y497 PolarHBondContact O-N 3.37Å; Y497-L529 HydrophobicContact CD2-CB 4.4Å; Y497-L529 HydrophobicContact CD2-CD2 4.25Å; Y497-R533 HydrophobicContact CD2-CG 3.94Å; Y497-R533 HydrophobicContact CE2-CG 3.98Å; Y497-R533 VanDerWaalsContact CE2-CZ 3.46Å; Y497-R533 VanDerWaalsContact CE2-NE 3.26Å; Y497-R533 HydrophobicContact CG-CG 4.49Å; Y497-R533 VanDerWaalsContact CZ-CZ 3.49Å; Y497-R533 PolarHBondContact OH-NH1 2.74Å; Y497-R533 PolarHBondContact OH-NH2 2.82Å; Y497-H535 PolarHBondContact O-CD2 3Å; Y497-H535 VanDerWaalsContact O-CD2 3.25Å; Y497-H535 PolarHBondContact O-NE2 3.04Å |
| 498 | H | 87.2 | Confident | 86.7 | Confident | 62 Ų | 62 | 26.8 Ų | 26.8 | 29% | 0.287 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -90.4 | -14 | 177.6 | -75 | -75.9 | 0 | 0 | 0 | 113.7 | Q444 Y494 A495 A496 H535 | Q444-H498 PolarHBondContact NE2-O 2.93Å; Y494-H498 PolarHBondContact O-CD2 2.6Å; Y494-H498 VanDerWaalsContact O-CD2 3.31Å; Y494-H498 PolarHBondContact O-N 3.02Å; Y494-H498 VanDerWaalsContact O-N 3.08Å; A495-H498 PolarHBondContact O-N 2.88Å; A496-H498 VanDerWaalsContact C-N 3.31Å; A496-H498 PolarHBondContact O-N 3.17Å; H498-H535 PolarHBondContact O-CE1 2.94Å; H498-H535 PolarHBondContact O-NE2 3.25Å |
| 499 | G | 86 | Confident | 86.6 | Confident | 15 Ų | 15 | 33.3 Ų | 33.3 | 16% | 0.155 | 15% | 0.153 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79 | 26.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A495 A496 K501 H535 | A495-G499 PolarHBondContact O-N 3.46Å; A496-G499 PolarHBondContact O-N 3.33Å; G499-K501 PolarHBondContact O-N 2.95Å; G499-K501 VanDerWaalsContact O-N 3.08Å; G499-H535 VanDerWaalsContact CA-CG 3.42Å; G499-H535 PolarHBondContact N-CD2 2.88Å |
| 500 | N | 84.5 | Confident | 86 | Confident | 14 Ų | 14 | 35.5 Ų | 35.5 | 8% | 0.075 | 17% | 0.167 | C | C | . | . | trans | -78.2 | 89.2 | -179.8 | -77.6 | -29.3 | 0 | 0 | 0 | 111.8 | A441 S443 Q444 A495 Q502 N503 L504 | A441-N500 PolarHBondContact O-ND2 3.3Å; S443-N500 PolarHBondContact O-ND2 3.41Å; Q444-N500 VanDerWaalsContact CD-OD1 3.27Å; Q444-N500 WeakPolarHBondContact CG-OD1 3.39Å; Q444-N500 PolarHBondContact NE2-OD1 2.83Å; A495-N500 PolarHBondContact O-N 2.85Å; N500-Q502 PolarHBondContact O-N 3.46Å; N500-N503 HydrophobicContact CB-CB 3.86Å; N500-N503 PolarHBondContact O-N 2.9Å; N500-L504 WeakPolarHBondContact O-CB 3.35Å; N500-L504 PolarHBondContact O-N 3.27Å | ||
| 501 | K | 85.3 | Confident | 85 | Confident | 57 Ų | 57 | 35.7 Ų | 35.7 | 25% | 0.248 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -54.8 | -52.5 | -175.5 | -169 | -160.4 | 159.4 | -161.8 | 0 | 113.1 | G499 L504 E505 Q537 V541 | G499-K501 PolarHBondContact O-N 2.95Å; G499-K501 VanDerWaalsContact O-N 3.08Å; K501-L504 WeakPolarHBondContact O-CB 3.48Å; K501-L504 PolarHBondContact O-N 2.88Å; K501-E505 VanDerWaalsContact CE-CD 3.43Å; K501-E505 WeakPolarHBondContact CE-OE1 3.38Å; K501-E505 IonicContact NZ-OE1 3.42Å; K501-E505 PolarHBondContact NZ-OE1 3.41Å; K501-E505 IonicContact NZ-OE2 2.77Å; K501-E505 WeakPolarHBondContact O-CG 3.39Å; K501-E505 PolarHBondContact O-N 3.23Å; K501-Q537 HydrophobicContact CB-CB 4.45Å; K501-Q537 HydrophobicContact CD-CB 4.3Å; K501-Q537 HydrophobicContact CG-CB 4.33Å; K501-V541 HydrophobicContact CD-CG2 4.41Å; K501-V541 HydrophobicContact CG-CG2 3.84Å |
| 502 | Q | 84 | Confident | 83.6 | Confident | 110 Ų | 110 | 42.6 Ų | 42.6 | 51% | 0.514 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.6 | -42 | -175.2 | -64.5 | 84.8 | -13.7 | 0 | 0 | 112.4 | Y468 N500 L504 E505 L506 | Y468-Q502 HydrophobicContact CD2-CB 3.85Å; Y468-Q502 HydrophobicContact CE2-CB 4.33Å; N500-Q502 PolarHBondContact O-N 3.46Å; Q502-L504 PolarHBondContact O-N 3.44Å; Q502-E505 PolarHBondContact O-N 3.39Å; Q502-L506 PolarHBondContact O-N 3.03Å |
| 503 | N | 87.1 | Confident | 82 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.016 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -35.8 | 175.4 | -67.2 | 2.1 | 0 | 0 | 0 | 110.9 | S440 L471 N500 L507 | S440-N503 PolarHBondContact O-ND2 3.08Å; L471-N503 HydrophobicContact CD2-CB 3.51Å; N500-N503 HydrophobicContact CB-CB 3.86Å; N500-N503 PolarHBondContact O-N 2.9Å; N503-L507 WeakPolarHBondContact O-CB 3.34Å; N503-L507 WeakPolarHBondContact O-CD1 3.47Å; N503-L507 WeakPolarHBondContact O-CG 3.46Å; N503-L507 PolarHBondContact O-N 3.36Å |
| 504 | L | 86.9 | Confident | 80.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -45.2 | 177.1 | -168 | 65.5 | 0 | 0 | 0 | 111.6 | V492 A495 N500 K501 Q502 L506 L507 L508 A538 V541 L542 | V492-L504 HydrophobicContact CG1-CD1 3.75Å; A495-L504 HydrophobicContact CB-CB 4.33Å; A495-L504 HydrophobicContact CB-CD1 3.9Å; N500-L504 WeakPolarHBondContact O-CB 3.35Å; N500-L504 PolarHBondContact O-N 3.27Å; K501-L504 WeakPolarHBondContact O-CB 3.48Å; K501-L504 PolarHBondContact O-N 2.88Å; Q502-L504 PolarHBondContact O-N 3.44Å; L504-L506 PolarHBondContact O-N 2.97Å; L504-L507 PolarHBondContact O-N 3.03Å; L504-L508 HydrophobicContact CD1-CD1 4.47Å; L504-L508 HydrophobicContact CG-CD1 3.97Å; L504-L508 HydrophobicContact CG-CG 4.43Å; L504-L508 WeakPolarHBondContact O-CB 3.34Å; L504-L508 WeakPolarHBondContact O-CG 3.42Å; L504-L508 PolarHBondContact O-N 2.94Å; L504-A538 HydrophobicContact CD2-CB 3.77Å; L504-V541 HydrophobicContact CD2-CB 4.46Å; L504-V541 HydrophobicContact CD2-CG1 4.42Å; L504-V541 HydrophobicContact CG-CG1 4.49Å; L504-L542 HydrophobicContact CD1-CD2 4.21Å; L504-L542 HydrophobicContact CD2-CD1 4.08Å; L504-L542 HydrophobicContact CD2-CD2 4.2Å; L504-L542 HydrophobicContact CD2-CG 3.82Å; L504-L542 HydrophobicContact CG-CD2 4.44Å |
| 505 | E | 86.3 | Confident | 78.6 | Confident | 66 Ų | 66 | 49.3 Ų | 49.3 | 31% | 0.308 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -55.2 | -50.8 | 173.4 | -73.8 | 171.3 | 152.7 | 0 | 0 | 110.6 | K501 Q502 L507 L508 E509 V541 | K501-E505 VanDerWaalsContact CE-CD 3.43Å; K501-E505 WeakPolarHBondContact CE-OE1 3.38Å; K501-E505 IonicContact NZ-OE1 3.42Å; K501-E505 PolarHBondContact NZ-OE1 3.41Å; K501-E505 IonicContact NZ-OE2 2.77Å; K501-E505 WeakPolarHBondContact O-CG 3.39Å; K501-E505 PolarHBondContact O-N 3.23Å; Q502-E505 PolarHBondContact O-N 3.39Å; E505-L507 PolarHBondContact O-N 3.3Å; E505-L508 PolarHBondContact O-N 3Å; E505-E509 WeakPolarHBondContact O-CG 3.39Å; E505-E509 PolarHBondContact O-N 3.43Å; E505-V541 HydrophobicContact CG-CG1 3.87Å; E505-V541 HydrophobicContact CG-CG2 4.11Å |
| 506 | L | 86.3 | Confident | 76.9 | Confident | 16 Ų | 16 | 52.1 Ų | 52.1 | 8% | 0.084 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 178.9 | -176.8 | 63.7 | 0 | 0 | 0 | 112.8 | Y468 L471 E472 L475 Q502 L504 L508 E509 M510 | Y468-L506 HydrophobicContact CE2-CB 4.13Å; Y468-L506 HydrophobicContact CE2-CD2 3.95Å; L471-L506 HydrophobicContact CD2-CD2 4.24Å; E472-L506 HydrophobicContact CB-CD2 3.84Å; E472-L506 HydrophobicContact CG-CD2 4.41Å; L475-L506 HydrophobicContact CD1-CD2 3.98Å; L475-L506 HydrophobicContact CD1-CG 4.05Å; Q502-L506 PolarHBondContact O-N 3.03Å; L504-L506 PolarHBondContact O-N 2.97Å; L506-L508 VanDerWaalsContact C-N 3.35Å; L506-L508 PolarHBondContact O-N 3.35Å; L506-E509 PolarHBondContact O-N 2.98Å; L506-M510 HydrophobicContact CD1-SD 4.5Å; L506-M510 PolarHBondContact O-N 3.19Å |
| 507 | L | 86.4 | Confident | 75 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 177.9 | -74.6 | 167.1 | 0 | 0 | 0 | 111.2 | L437 A441 L471 L475 P481 A491 V492 A495 N503 L504 E505 M510 S511 | L437-L507 HydrophobicContact CD2-CD2 4.36Å; A441-L507 HydrophobicContact CB-CD1 3.86Å; L471-L507 HydrophobicContact CD2-CD1 4.23Å; L471-L507 HydrophobicContact CD2-CD2 4.41Å; L471-L507 HydrophobicContact CD2-CG 3.99Å; L475-L507 HydrophobicContact CD1-CD2 4.24Å; P481-L507 HydrophobicContact CB-CD2 4.18Å; A491-L507 HydrophobicContact CB-CD1 4.08Å; A491-L507 HydrophobicContact CB-CD2 4.14Å; V492-L507 HydrophobicContact CG2-CB 4.1Å; A495-L507 HydrophobicContact CB-CD1 4.02Å; N503-L507 WeakPolarHBondContact O-CB 3.34Å; N503-L507 WeakPolarHBondContact O-CD1 3.47Å; N503-L507 WeakPolarHBondContact O-CG 3.46Å; N503-L507 PolarHBondContact O-N 3.36Å; L504-L507 PolarHBondContact O-N 3.03Å; E505-L507 PolarHBondContact O-N 3.3Å; L507-M510 PolarHBondContact O-N 3.24Å; L507-S511 WeakPolarHBondContact O-CB 3.4Å; L507-S511 PolarHBondContact O-N 3.34Å; L507-S511 PolarHBondContact O-OG 2.87Å |
| 508 | L | 82.8 | Confident | 73.3 | Confident | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67 | -37.8 | 179.7 | -70.1 | 172.1 | 0 | 0 | 0 | 112 | V492 L504 E505 L506 M510 S511 F512 L515 V541 L542 T545 | V492-L508 HydrophobicContact CG1-CD2 4.24Å; L504-L508 HydrophobicContact CD1-CD1 4.47Å; L504-L508 HydrophobicContact CG-CD1 3.97Å; L504-L508 HydrophobicContact CG-CG 4.43Å; L504-L508 WeakPolarHBondContact O-CB 3.34Å; L504-L508 WeakPolarHBondContact O-CG 3.42Å; L504-L508 PolarHBondContact O-N 2.94Å; E505-L508 PolarHBondContact O-N 3Å; L506-L508 VanDerWaalsContact C-N 3.35Å; L506-L508 PolarHBondContact O-N 3.35Å; L508-M510 VanDerWaalsContact C-N 3.29Å; L508-M510 PolarHBondContact O-N 2.92Å; L508-S511 PolarHBondContact O-N 2.64Å; L508-F512 PolarHBondContact O-N 3.42Å; L508-L515 HydrophobicContact CD2-CD1 3.45Å; L508-L515 VanDerWaalsContact CD2-CD1 3.45Å; L508-V541 HydrophobicContact CD1-CG1 3.68Å; L508-L542 HydrophobicContact CD1-CD2 4.11Å; L508-L542 HydrophobicContact CD2-CD2 4.33Å; L508-T545 HydrophobicContact CD1-CG2 4.02Å |
| 509 | E | 81.2 | Confident | 71.8 | Confident | 153 Ų | 153 | 56.4 Ų | 56.4 | 72% | 0.715 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -58.8 | -41.3 | 173.1 | -75.8 | 179.5 | -177.4 | 0 | 0 | 111.9 | E505 L506 | E505-E509 WeakPolarHBondContact O-CG 3.39Å; E505-E509 PolarHBondContact O-N 3.43Å; L506-E509 PolarHBondContact O-N 2.98Å |
| 510 | M | 73.9 | Confident | 70.2 | Confident | 95 Ų | 95 | 60.8 Ų | 60.8 | 47% | 0.468 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -87.1 | -22 | -177.8 | -64.1 | -168.9 | 66.8 | 0 | 0 | 114.3 | L475 L506 L507 L508 | L475-M510 HydrophobicContact CB-CE 3.82Å; L475-M510 HydrophobicContact CB-SD 3.66Å; L475-M510 HydrophobicContact CD1-SD 3.64Å; L475-M510 HydrophobicContact CD2-CE 4.24Å; L475-M510 HydrophobicContact CD2-SD 4.12Å; L475-M510 HydrophobicContact CG-CE 4.45Å; L475-M510 HydrophobicContact CG-SD 3.99Å; L506-M510 HydrophobicContact CD1-SD 4.5Å; L506-M510 PolarHBondContact O-N 3.19Å; L507-M510 PolarHBondContact O-N 3.24Å; L508-M510 VanDerWaalsContact C-N 3.29Å; L508-M510 PolarHBondContact O-N 2.92Å |
| 511 | S | 67.8 | Low | 68.7 | Low | 5 Ų | 5 | 64.4 Ų | 64.4 | 4% | 0.035 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -107.5 | 11.4 | -174.6 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | L507 L508 N513 A514 | L507-S511 WeakPolarHBondContact O-CB 3.4Å; L507-S511 PolarHBondContact O-N 3.34Å; L507-S511 PolarHBondContact O-OG 2.87Å; L508-S511 PolarHBondContact O-N 2.64Å; S511-N513 PolarHBondContact O-N 2.85Å; S511-A514 PolarHBondContact O-N 3.4Å |
| 512 | F | 58.5 | Low | 67.5 | Low | 144 Ų | 144 | 62.8 Ų | 62.8 | 63% | 0.632 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.4 | -25.5 | -174.8 | -151.8 | -90.8 | 0 | 0 | 0 | 114.6 | L508 | L508-F512 PolarHBondContact O-N 3.42Š|
| 513 | N | 53.5 | Low | 66.5 | Low | 153 Ų | 153 | 61 Ų | 61 | 82% | 0.818 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.2 | -10.9 | 177.9 | -67.4 | -24.7 | 0 | 0 | 0 | 114.8 | S511 | S511-N513 PolarHBondContact O-N 2.85Š|
| 514 | A | 51.9 | Low | 66 | Low | 25 Ų | 25 | 62.5 Ų | 62.5 | 21% | 0.207 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -20.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S511 I518 | S511-A514 PolarHBondContact O-N 3.4Å; A514-I518 HydrophobicContact CB-CD1 4.38Å; A514-I518 VanDerWaalsContact O-CD1 3.26Å; A514-I518 WeakPolarHBondContact O-CD1 3.48Å; A514-I518 VanDerWaalsContact O-CG1 3.23Å; A514-I518 WeakPolarHBondContact O-CG1 3.48Å |
| 515 | L | 55 | Low | 65.9 | Low | 31 Ų | 31 | 63.1 Ų | 63.1 | 16% | 0.162 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -68.9 | -34.9 | -175.5 | -79.4 | 144.6 | 0 | 0 | 0 | 113.4 | V492 L508 D517 I518 E519 | V492-L515 HydrophobicContact CB-CD2 4.49Å; V492-L515 HydrophobicContact CG1-CD2 4.18Å; V492-L515 HydrophobicContact CG2-CD2 4.45Å; L508-L515 HydrophobicContact CD2-CD1 3.45Å; L508-L515 VanDerWaalsContact CD2-CD1 3.45Å; L515-D517 VanDerWaalsContact C-N 3.32Å; L515-D517 PolarHBondContact O-N 3.4Å; L515-I518 PolarHBondContact O-N 2.85Å; L515-E519 WeakPolarHBondContact O-CG 3.45Å; L515-E519 PolarHBondContact O-N 2.88Å |
| 516 | G | 53.6 | Low | 65.9 | Low | 59 Ų | 59 | 60 Ų | 60 | 61% | 0.608 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.1 | -32.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 517 | D | 48.9 | Very low | 66 | Low | 133 Ų | 133 | 59.3 Ų | 59.3 | 71% | 0.711 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -83.7 | -31 | 179.6 | -71.5 | -27.1 | 0 | 0 | 0 | 112.2 | L515 S520 | L515-D517 VanDerWaalsContact C-N 3.32Å; L515-D517 PolarHBondContact O-N 3.4Å; D517-S520 PolarHBondContact O-OG 3.39Å |
| 518 | I | 52.7 | Low | 66.1 | Low | 22 Ų | 22 | 59.5 Ų | 59.5 | 11% | 0.113 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -73 | -37.2 | -175 | -68.4 | 170.9 | 0 | 0 | 0 | 111.8 | A514 L515 S520 S521 I522 | A514-I518 HydrophobicContact CB-CD1 4.38Å; A514-I518 VanDerWaalsContact O-CD1 3.26Å; A514-I518 WeakPolarHBondContact O-CD1 3.48Å; A514-I518 VanDerWaalsContact O-CG1 3.23Å; A514-I518 WeakPolarHBondContact O-CG1 3.48Å; L515-I518 PolarHBondContact O-N 2.85Å; I518-S520 PolarHBondContact O-N 3.06Å; I518-S520 VanDerWaalsContact O-N 3.12Å; I518-S521 PolarHBondContact O-N 3.48Å; I518-S521 PolarHBondContact O-OG 3.4Å; I518-S521 VanDerWaalsContact O-OG 3.08Å; I518-I522 HydrophobicContact CG2-CD1 3.34Å; I518-I522 HydrophobicContact CG2-CG1 4.31Å |
| 519 | E | 55 | Low | 66.4 | Low | 75 Ų | 75 | 60.3 Ų | 60.3 | 35% | 0.35 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -18.5 | -179 | -72.4 | 179.9 | 170.8 | 0 | 0 | 114 | L515 S521 M551 | L515-E519 WeakPolarHBondContact O-CG 3.45Å; L515-E519 PolarHBondContact O-N 2.88Å; E519-S521 VanDerWaalsContact C-N 3.34Å; E519-M551 WeakPolarHBondContact OE2-CE 3.3Å |
| 520 | S | 52.9 | Low | 66.8 | Low | 107 Ų | 107 | 53 Ų | 53 | 75% | 0.748 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -14.5 | 178.9 | 72.2 | 0 | 0 | 0 | 0 | 114.5 | D517 I518 | D517-S520 PolarHBondContact O-OG 3.39Å; I518-S520 PolarHBondContact O-N 3.06Å; I518-S520 VanDerWaalsContact O-N 3.12Å |
| 521 | S | 52.3 | Low | 67.6 | Low | 91 Ų | 91 | 48.5 Ų | 48.5 | 64% | 0.636 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | -8 | -168.6 | 71.2 | 0 | 0 | 0 | 0 | 115.3 | I518 E519 | I518-S521 PolarHBondContact O-N 3.48Å; I518-S521 PolarHBondContact O-OG 3.4Å; I518-S521 VanDerWaalsContact O-OG 3.08Å; E519-S521 VanDerWaalsContact C-N 3.34Å |
| 522 | I | 61.1 | Low | 68.7 | Low | 23 Ų | 23 | 50.1 Ų | 50.1 | 12% | 0.118 | 30% | 0.297 | C | S | . | . | trans | -112.2 | 141.2 | -171.4 | -52.8 | 172 | 0 | 0 | 0 | 110.4 | G488 Y489 H493 I518 V524 | G488-I522 WeakPolarHBondContact O-CD1 3.46Å; Y489-I522 HydrophobicContact CD1-CG2 4.1Å; Y489-I522 HydrophobicContact CE1-CG2 3.78Å; H493-I522 VanDerWaalsContact CE1-CD1 3.41Å; H493-I522 WeakPolarHBondContact CE1-CD1 3.16Å; I518-I522 HydrophobicContact CG2-CD1 3.34Å; I518-I522 HydrophobicContact CG2-CG1 4.31Å; I522-V524 VanDerWaalsContact C-N 3.3Å; I522-V524 WeakPolarHBondContact CG2-O 3.24Å; I522-V524 PolarHBondContact O-N 3.43Å | ||
| 523 | P | 63.4 | Low | 70.2 | Confident | 73 Ų | 73 | 48.4 Ų | 48.4 | 47% | 0.474 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -72.8 | -14.3 | 177.9 | 28 | -35.5 | 0 | 0 | 0 | 115.3 | A554 | P523-A554 HydrophobicContact CB-CB 4.2Å; P523-A554 PolarHBondContact O-N 3.12Å |
| 524 | V | 75.8 | Confident | 71.9 | Confident | 33 Ų | 33 | 42 Ų | 42 | 20% | 0.2 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -146.3 | 117.3 | -171.7 | -175 | 0 | 0 | 0 | 0 | 110.6 | I522 H528 L529 | I522-V524 VanDerWaalsContact C-N 3.3Å; I522-V524 WeakPolarHBondContact CG2-O 3.24Å; I522-V524 PolarHBondContact O-N 3.43Å; V524-H528 HydrophobicContact CG1-CB 3.46Å; V524-H528 VanDerWaalsContact CG1-CB 3.46Å; V524-L529 HydrophobicContact CG1-CD2 3.92Å; V524-L529 HydrophobicContact CG1-CG 4.08Å |
| 525 | S | 84.8 | Confident | 73.8 | Confident | 13 Ų | 13 | 43.2 Ų | 43.2 | 9% | 0.091 | 26% | 0.257 | C | S | . | . | trans | -76.4 | 162.9 | 179.4 | 76.4 | 0 | 0 | 0 | 0 | 113.3 | L527 H528 L529 M551 | S525-L527 PolarHBondContact O-N 3.45Å; S525-H528 WeakPolarHBondContact O-CB 3.43Å; S525-H528 PolarHBondContact O-N 2.93Å; S525-H528 VanDerWaalsContact O-N 3.08Å; S525-H528 PolarHBondContact OG-ND1 2.87Å; S525-L529 PolarHBondContact O-N 3Å; S525-M551 PolarHBondContact OG-SD 2.94Å | ||
| 526 | P | 86.8 | Confident | 75.4 | Confident | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.013 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57 | -32.6 | 176.3 | -23.5 | 33.3 | 0 | 0 | 0 | 113.3 | V492 H493 A496 L529 A530 L542 | V492-P526 HydrophobicContact CG1-CB 4.25Å; V492-P526 HydrophobicContact CG1-CG 4.1Å; H493-P526 WeakPolarHBondContact NE2-CD 3.43Å; A496-P526 HydrophobicContact CB-CB 3.86Å; P526-L529 PolarHBondContact O-N 3.1Å; P526-A530 PolarHBondContact O-N 2.86Å; P526-L542 HydrophobicContact CB-CD1 4.14Å; P526-L542 HydrophobicContact CB-CD2 4.29Å |
| 527 | L | 87.9 | Confident | 77.1 | Confident | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.8 | -76.6 | 98.9 | 0 | 0 | 0 | 112.1 | S525 L529 A530 A531 L539 L542 T543 A547 V559 | S525-L527 PolarHBondContact O-N 3.45Å; L527-L529 VanDerWaalsContact C-N 3.3Å; L527-L529 PolarHBondContact O-N 3.47Å; L527-A530 PolarHBondContact O-N 2.95Å; L527-A531 VanDerWaalsContact O-CB 3.3Å; L527-A531 WeakPolarHBondContact O-CB 3.37Å; L527-A531 PolarHBondContact O-N 3.09Å; L527-L539 HydrophobicContact CB-CD1 4.26Å; L527-L539 HydrophobicContact CD2-CD1 4.23Å; L527-L539 HydrophobicContact CG-CD1 4.36Å; L527-L542 HydrophobicContact CD1-CB 4.31Å; L527-L542 HydrophobicContact CG-CB 4.07Å; L527-T543 HydrophobicContact CD2-CG2 3.7Å; L527-A547 HydrophobicContact CD1-CB 3.46Å; L527-A547 VanDerWaalsContact CD1-CB 3.46Å; L527-A547 HydrophobicContact CD2-CB 4.36Å; L527-A547 HydrophobicContact CG-CB 4.5Å; L527-V559 HydrophobicContact CB-CG1 4.1Å; L527-V559 HydrophobicContact CB-CG2 3.89Å |
| 528 | H | 88.3 | Confident | 79 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.019 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.2 | -40.8 | 176.9 | -69.9 | 92.6 | 0 | 0 | 0 | 111.4 | V524 S525 A531 D532 M551 D553 R557 L562 | V524-H528 HydrophobicContact CG1-CB 3.46Å; V524-H528 VanDerWaalsContact CG1-CB 3.46Å; S525-H528 WeakPolarHBondContact O-CB 3.43Å; S525-H528 PolarHBondContact O-N 2.93Å; S525-H528 VanDerWaalsContact O-N 3.08Å; S525-H528 PolarHBondContact OG-ND1 2.87Å; H528-A531 PolarHBondContact O-N 3.39Å; H528-D532 WeakPolarHBondContact O-CB 3.33Å; H528-D532 PolarHBondContact O-N 3.49Å; H528-M551 PolarHBondContact CE1-O 3.13Å; H528-M551 PolarHBondContact NE2-O 3.25Å; H528-D553 PolarHBondContact NE2-N 3.5Å; H528-R557 PolarHBondContact NE2-O 3.38Å; H528-L562 HydrophobicContact CB-CD1 3.93Å |
| 529 | L | 88.9 | Confident | 80.7 | Confident | 24 Ų | 24 | 39.3 Ų | 39.3 | 13% | 0.126 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.4 | -43.1 | 178.3 | -63.1 | 176.5 | 0 | 0 | 0 | 112 | Y489 H493 Y497 V524 S525 P526 L527 D532 R533 | Y489-L529 HydrophobicContact CE1-CD1 4.38Å; H493-L529 HydrophobicContact CB-CD1 3.91Å; Y497-L529 HydrophobicContact CD2-CB 4.4Å; Y497-L529 HydrophobicContact CD2-CD2 4.25Å; V524-L529 HydrophobicContact CG1-CD2 3.92Å; V524-L529 HydrophobicContact CG1-CG 4.08Å; S525-L529 PolarHBondContact O-N 3Å; P526-L529 PolarHBondContact O-N 3.1Å; L527-L529 VanDerWaalsContact C-N 3.3Å; L527-L529 PolarHBondContact O-N 3.47Å; L529-D532 PolarHBondContact O-N 3.2Å; L529-R533 WeakPolarHBondContact O-CG 3.39Å; L529-R533 PolarHBondContact O-N 2.78Å |
| 530 | A | 90.4 | Very high | 82.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.9 | -40.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | A496 P526 L527 R533 G534 H535 L539 L542 | A496-A530 HydrophobicContact CB-CB 4.36Å; P526-A530 PolarHBondContact O-N 2.86Å; L527-A530 PolarHBondContact O-N 2.95Å; A530-R533 PolarHBondContact O-N 2.97Å; A530-G534 PolarHBondContact O-N 2.8Å; A530-H535 PolarHBondContact O-N 2.51Å; A530-L539 HydrophobicContact CB-CB 4.38Å; A530-L539 HydrophobicContact CB-CD1 4.15Å; A530-L542 HydrophobicContact CB-CD1 4.25Å |
| 531 | A | 90.7 | Very high | 83.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.6 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L527 H528 R533 G534 L539 V559 A563 Y568 | L527-A531 VanDerWaalsContact O-CB 3.3Å; L527-A531 WeakPolarHBondContact O-CB 3.37Å; L527-A531 PolarHBondContact O-N 3.09Å; H528-A531 PolarHBondContact O-N 3.39Å; A531-R533 PolarHBondContact O-N 3.46Å; A531-G534 PolarHBondContact O-N 3.3Å; A531-L539 HydrophobicContact CB-CD1 4.39Å; A531-V559 HydrophobicContact CB-CG1 3.46Å; A531-V559 VanDerWaalsContact CB-CG1 3.46Å; A531-A563 HydrophobicContact CB-CB 4.31Å; A531-Y568 VanDerWaalsContact O-CD2 3.28Å; A531-Y568 WeakPolarHBondContact O-CD2 3.29Å |
| 532 | D | 89.9 | Confident | 85.5 | Confident | 39 Ų | 39 | 31.2 Ų | 31.2 | 21% | 0.209 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61.6 | -27.9 | 175.5 | 177.8 | 66.1 | 0 | 0 | 0 | 112.7 | H528 L529 Y568 | H528-D532 WeakPolarHBondContact O-CB 3.33Å; H528-D532 PolarHBondContact O-N 3.49Å; L529-D532 PolarHBondContact O-N 3.2Å; D532-Y568 WeakPolarHBondContact O-CE2 3.41Å |
| 533 | R | 90.1 | Very high | 86.6 | Confident | 109 Ų | 109 | 30.6 Ų | 30.6 | 41% | 0.411 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -101 | -6.7 | -179 | -60.5 | -68.4 | 152.6 | 158.5 | 7.9 | 114.4 | Y497 L529 A530 A531 H535 | Y497-R533 HydrophobicContact CD2-CG 3.94Å; Y497-R533 HydrophobicContact CE2-CG 3.98Å; Y497-R533 VanDerWaalsContact CE2-CZ 3.46Å; Y497-R533 VanDerWaalsContact CE2-NE 3.26Å; Y497-R533 HydrophobicContact CG-CG 4.49Å; Y497-R533 VanDerWaalsContact CZ-CZ 3.49Å; Y497-R533 PolarHBondContact OH-NH1 2.74Å; Y497-R533 PolarHBondContact OH-NH2 2.82Å; L529-R533 WeakPolarHBondContact O-CG 3.39Å; L529-R533 PolarHBondContact O-N 2.78Å; A530-R533 PolarHBondContact O-N 2.97Å; A531-R533 PolarHBondContact O-N 3.46Å; R533-H535 VanDerWaalsContact CB-CD2 3.42Å; R533-H535 WeakPolarHBondContact CB-CD2 3.31Å |
| 534 | G | 90.3 | Very high | 87.5 | Confident | 17 Ų | 17 | 32.7 Ų | 32.7 | 18% | 0.175 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76 | 22.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | A530 A531 W536 Y568 C571 | A530-G534 PolarHBondContact O-N 2.8Å; A531-G534 PolarHBondContact O-N 3.3Å; G534-W536 VanDerWaalsContact C-N 3.34Å; G534-W536 PolarHBondContact O-N 3.41Å; G534-Y568 VanDerWaalsContact CA-CG 3.46Å; G534-Y568 VanDerWaalsContact N-CE2 3.29Å; G534-C571 VanDerWaalsContact CA-SG 3.59Å |
| 535 | H | 91.6 | Very high | 87.4 | Confident | 51 Ų | 51 | 33.7 Ų | 33.7 | 24% | 0.236 | 16% | 0.158 | C | C | . | . | trans | -83.5 | 75.4 | -178.6 | -65.2 | -49 | 0 | 0 | 0 | 111.5 | Y497 H498 G499 A530 R533 Q537 A538 L539 | Y497-H535 PolarHBondContact O-CD2 3Å; Y497-H535 VanDerWaalsContact O-CD2 3.25Å; Y497-H535 PolarHBondContact O-NE2 3.04Å; H498-H535 PolarHBondContact O-CE1 2.94Å; H498-H535 PolarHBondContact O-NE2 3.25Å; G499-H535 VanDerWaalsContact CA-CG 3.42Å; G499-H535 PolarHBondContact N-CD2 2.88Å; A530-H535 PolarHBondContact O-N 2.51Å; R533-H535 VanDerWaalsContact CB-CD2 3.42Å; R533-H535 WeakPolarHBondContact CB-CD2 3.31Å; H535-Q537 VanDerWaalsContact C-N 3.3Å; H535-Q537 PolarHBondContact O-N 3.12Å; H535-A538 HydrophobicContact CB-CB 4.07Å; H535-A538 PolarHBondContact O-N 3.43Å; H535-A538 VanDerWaalsContact O-N 3.17Å; H535-L539 WeakPolarHBondContact O-CB 3.2Å; H535-L539 PolarHBondContact O-N 2.79Å | ||
| 536 | W | 89.1 | Confident | 86.2 | Confident | 91 Ų | 91 | 37.6 Ų | 37.6 | 35% | 0.345 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -60.9 | -32.7 | -173.9 | 72.3 | -91 | 0 | 0 | 0 | 114.1 | G534 L539 R540 R570 V574 | G534-W536 VanDerWaalsContact C-N 3.34Å; G534-W536 PolarHBondContact O-N 3.41Å; W536-L539 PolarHBondContact O-N 3.22Å; W536-R540 WeakPolarHBondContact O-CB 3.43Å; W536-R540 PolarHBondContact O-N 3.27Å; W536-R570 HydrophobicContact CB-CB 4.03Å; W536-R570 HydrophobicContact CG-CB 3.98Å; W536-V574 HydrophobicContact CE3-CG2 4.42Å |
| 537 | Q | 88.6 | Confident | 85.2 | Confident | 73 Ų | 73 | 38.4 Ų | 38.4 | 34% | 0.341 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -67.6 | -43.1 | 176.2 | -64.6 | 97.4 | -21.5 | 0 | 0 | 112.1 | K501 H535 L539 R540 V541 | K501-Q537 HydrophobicContact CB-CB 4.45Å; K501-Q537 HydrophobicContact CD-CB 4.3Å; K501-Q537 HydrophobicContact CG-CB 4.33Å; H535-Q537 VanDerWaalsContact C-N 3.3Å; H535-Q537 PolarHBondContact O-N 3.12Å; Q537-L539 VanDerWaalsContact C-N 3.33Å; Q537-R540 PolarHBondContact O-N 3.47Å; Q537-V541 WeakPolarHBondContact O-CG2 3.39Å; Q537-V541 PolarHBondContact O-N 2.96Å; Q537-V541 VanDerWaalsContact O-N 3.14Å |
| 538 | A | 87.9 | Confident | 84.5 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L504 H535 R540 V541 L542 | L504-A538 HydrophobicContact CD2-CB 3.77Å; H535-A538 HydrophobicContact CB-CB 4.07Å; H535-A538 PolarHBondContact O-N 3.43Å; H535-A538 VanDerWaalsContact O-N 3.17Å; A538-R540 VanDerWaalsContact C-N 3.33Å; A538-R540 PolarHBondContact O-N 3.42Å; A538-V541 PolarHBondContact O-N 2.98Å; A538-L542 VanDerWaalsContact O-CG 3.32Å; A538-L542 WeakPolarHBondContact O-CG 3.24Å; A538-L542 PolarHBondContact O-N 3.44Å |
| 539 | L | 88.4 | Confident | 84 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -59 | -44.6 | 174.8 | -166.7 | 68 | 0 | 0 | 0 | 111.7 | L527 A530 A531 H535 W536 Q537 V541 L542 T543 V559 C571 L575 | L527-L539 HydrophobicContact CB-CD1 4.26Å; L527-L539 HydrophobicContact CD2-CD1 4.23Å; L527-L539 HydrophobicContact CG-CD1 4.36Å; A530-L539 HydrophobicContact CB-CB 4.38Å; A530-L539 HydrophobicContact CB-CD1 4.15Å; A531-L539 HydrophobicContact CB-CD1 4.39Å; H535-L539 WeakPolarHBondContact O-CB 3.2Å; H535-L539 PolarHBondContact O-N 2.79Å; W536-L539 PolarHBondContact O-N 3.22Å; Q537-L539 VanDerWaalsContact C-N 3.33Å; L539-V541 PolarHBondContact O-N 3.46Å; L539-L542 PolarHBondContact O-N 2.99Å; L539-T543 WeakPolarHBondContact O-CG2 3.34Å; L539-T543 PolarHBondContact O-N 2.98Å; L539-T543 PolarHBondContact O-OG1 3.08Å; L539-T543 VanDerWaalsContact O-OG1 3.11Å; L539-V559 HydrophobicContact CD1-CG1 4.17Å; L539-C571 HydrophobicContact CD2-CB 3.77Å; L539-L575 HydrophobicContact CD1-CD2 4.23Å; L539-L575 HydrophobicContact CD2-CD1 3.99Å; L539-L575 HydrophobicContact CD2-CD2 3.94Å; L539-L575 HydrophobicContact CD2-CG 3.72Å; L539-L575 HydrophobicContact CG-CD2 4.22Å |
| 540 | R | 88.5 | Confident | 83.7 | Confident | 90 Ų | 90 | 46.5 Ų | 46.5 | 34% | 0.34 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.8 | -47.7 | 177.9 | -166 | -175.8 | 76.2 | -170.5 | 3.8 | 112 | W536 Q537 A538 L542 T543 E544 V574 | W536-R540 WeakPolarHBondContact O-CB 3.43Å; W536-R540 PolarHBondContact O-N 3.27Å; Q537-R540 PolarHBondContact O-N 3.47Å; A538-R540 VanDerWaalsContact C-N 3.33Å; A538-R540 PolarHBondContact O-N 3.42Å; R540-L542 VanDerWaalsContact C-N 3.33Å; R540-L542 PolarHBondContact O-N 3.48Å; R540-T543 WeakPolarHBondContact CA-OG1 3.49Å; R540-T543 PolarHBondContact O-N 2.73Å; R540-T543 PolarHBondContact O-OG1 3.47Å; R540-E544 WeakPolarHBondContact CG-OE1 3.36Å; R540-E544 IonicContact NE-OE1 3.44Å; R540-E544 PolarHBondContact NE-OE1 3.05Å; R540-E544 WeakPolarHBondContact O-CB 3.47Å; R540-E544 VanDerWaalsContact O-CG 3.29Å; R540-E544 WeakPolarHBondContact O-CG 3.47Å; R540-E544 PolarHBondContact O-N 3.16Å; R540-V574 HydrophobicContact CB-CG1 4.04Å; R540-V574 HydrophobicContact CG-CG1 4.27Å |
| 541 | V | 87.6 | Confident | 83.2 | Confident | 7 Ų | 7 | 47.9 Ų | 47.9 | 4% | 0.042 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.5 | -44.9 | 176.9 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | K501 L504 E505 L508 Q537 A538 L539 T543 E544 T545 | K501-V541 HydrophobicContact CD-CG2 4.41Å; K501-V541 HydrophobicContact CG-CG2 3.84Å; L504-V541 HydrophobicContact CD2-CB 4.46Å; L504-V541 HydrophobicContact CD2-CG1 4.42Å; L504-V541 HydrophobicContact CG-CG1 4.49Å; E505-V541 HydrophobicContact CG-CG1 3.87Å; E505-V541 HydrophobicContact CG-CG2 4.11Å; L508-V541 HydrophobicContact CD1-CG1 3.68Å; Q537-V541 WeakPolarHBondContact O-CG2 3.39Å; Q537-V541 PolarHBondContact O-N 2.96Å; Q537-V541 VanDerWaalsContact O-N 3.14Å; A538-V541 PolarHBondContact O-N 2.98Å; L539-V541 PolarHBondContact O-N 3.46Å; V541-T543 PolarHBondContact O-N 3.45Å; V541-E544 PolarHBondContact O-N 2.9Å; V541-T545 PolarHBondContact O-N 3.18Å; V541-T545 PolarHBondContact O-OG1 2.93Å |
| 542 | L | 86 | Confident | 82.9 | Confident | 6 Ų | 6 | 52.3 Ų | 52.3 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 179.2 | -70.5 | 163.9 | 0 | 0 | 0 | 113.1 | V492 A496 L504 L508 P526 L527 A530 A538 L539 R540 T545 A547 | V492-L542 HydrophobicContact CG1-CD2 4.36Å; A496-L542 HydrophobicContact CB-CD1 3.93Å; L504-L542 HydrophobicContact CD1-CD2 4.21Å; L504-L542 HydrophobicContact CD2-CD1 4.08Å; L504-L542 HydrophobicContact CD2-CD2 4.2Å; L504-L542 HydrophobicContact CD2-CG 3.82Å; L504-L542 HydrophobicContact CG-CD2 4.44Å; L508-L542 HydrophobicContact CD1-CD2 4.11Å; L508-L542 HydrophobicContact CD2-CD2 4.33Å; P526-L542 HydrophobicContact CB-CD1 4.14Å; P526-L542 HydrophobicContact CB-CD2 4.29Å; L527-L542 HydrophobicContact CD1-CB 4.31Å; L527-L542 HydrophobicContact CG-CB 4.07Å; A530-L542 HydrophobicContact CB-CD1 4.25Å; A538-L542 VanDerWaalsContact O-CG 3.32Å; A538-L542 WeakPolarHBondContact O-CG 3.24Å; A538-L542 PolarHBondContact O-N 3.44Å; L539-L542 PolarHBondContact O-N 2.99Å; R540-L542 VanDerWaalsContact C-N 3.33Å; R540-L542 PolarHBondContact O-N 3.48Å; L542-T545 PolarHBondContact O-N 2.87Å; L542-T545 PolarHBondContact O-OG1 2.96Å; L542-A547 WeakPolarHBondContact O-CB 3.48Å |
| 543 | T | 83.3 | Confident | 82.7 | Confident | 9 Ų | 9 | 51.1 Ų | 51.1 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.4 | -32.3 | 177 | 52.8 | 0 | 0 | 0 | 0 | 112.6 | L527 L539 R540 V541 T545 V549 L575 Q578 | L527-T543 HydrophobicContact CD2-CG2 3.7Å; L539-T543 WeakPolarHBondContact O-CG2 3.34Å; L539-T543 PolarHBondContact O-N 2.98Å; L539-T543 PolarHBondContact O-OG1 3.08Å; L539-T543 VanDerWaalsContact O-OG1 3.11Å; R540-T543 WeakPolarHBondContact CA-OG1 3.49Å; R540-T543 PolarHBondContact O-N 2.73Å; R540-T543 PolarHBondContact O-OG1 3.47Å; V541-T543 PolarHBondContact O-N 3.45Å; T543-T545 VanDerWaalsContact C-N 3.28Å; T543-T545 PolarHBondContact O-N 3.09Å; T543-V549 HydrophobicContact CG2-CG2 4.13Å; T543-L575 HydrophobicContact CG2-CD2 4.46Å; T543-Q578 HydrophobicContact CG2-CG 4.5Å |
| 544 | E | 82.9 | Confident | 82.2 | Confident | 118 Ų | 118 | 49.9 Ų | 49.9 | 55% | 0.551 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -67.5 | -28.3 | 176.4 | -75.6 | 168.5 | -172.2 | 0 | 0 | 111.9 | R540 V541 A546 | R540-E544 WeakPolarHBondContact CG-OE1 3.36Å; R540-E544 IonicContact NE-OE1 3.44Å; R540-E544 PolarHBondContact NE-OE1 3.05Å; R540-E544 WeakPolarHBondContact O-CB 3.47Å; R540-E544 VanDerWaalsContact O-CG 3.29Å; R540-E544 WeakPolarHBondContact O-CG 3.47Å; R540-E544 PolarHBondContact O-N 3.16Å; V541-E544 PolarHBondContact O-N 2.9Å; E544-A546 PolarHBondContact O-N 2.73Å; E544-A546 VanDerWaalsContact O-N 3.16Å |
| 545 | T | 72.5 | Confident | 81.9 | Confident | 53 Ų | 53 | 50 Ų | 50 | 33% | 0.325 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 28.9 | 179.1 | 51.9 | 0 | 0 | 0 | 0 | 114.9 | L508 V541 L542 T543 A547 | L508-T545 HydrophobicContact CD1-CG2 4.02Å; V541-T545 PolarHBondContact O-N 3.18Å; V541-T545 PolarHBondContact O-OG1 2.93Å; L542-T545 PolarHBondContact O-N 2.87Å; L542-T545 PolarHBondContact O-OG1 2.96Å; T543-T545 VanDerWaalsContact C-N 3.28Å; T543-T545 PolarHBondContact O-N 3.09Å; T545-A547 PolarHBondContact O-N 2.99Å |
| 546 | A | 60.4 | Low | 81.5 | Confident | 95 Ų | 95 | 47.7 Ų | 47.7 | 79% | 0.785 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.4 | 25.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | E544 | E544-A546 PolarHBondContact O-N 2.73Å; E544-A546 VanDerWaalsContact O-N 3.16Å |
| 547 | A | 65.1 | Low | 81.4 | Confident | 19 Ų | 19 | 47 Ų | 47 | 16% | 0.157 | 25% | 0.253 | C | S | . | . | trans | -71.3 | 136.3 | 172 | 0 | 0 | 0 | 0 | 0 | 111.5 | L527 L542 T545 V549 | L527-A547 HydrophobicContact CD1-CB 3.46Å; L527-A547 VanDerWaalsContact CD1-CB 3.46Å; L527-A547 HydrophobicContact CD2-CB 4.36Å; L527-A547 HydrophobicContact CG-CB 4.5Å; L542-A547 WeakPolarHBondContact O-CB 3.48Å; T545-A547 PolarHBondContact O-N 2.99Å; A547-V549 PolarHBondContact O-N 3.11Å | ||
| 548 | Y | 73.6 | Confident | 81.5 | Confident | 149 Ų | 149 | 43.6 Ų | 43.6 | 58% | 0.584 | 24% | 0.237 | S | C | * | . | trans | -63.8 | 115.9 | 174 | -176.3 | -114.1 | 0 | 0 | 0 | 110.1 | D550 M551 | Y548-D550 VanDerWaalsContact C-N 3.34Å; Y548-D550 HydrophobicContact CD1-CB 4.39Å; Y548-D550 VanDerWaalsContact CE1-C 3.41Å; Y548-D550 HydrophobicContact CE1-CB 3.68Å; Y548-D550 WeakPolarHBondContact CE1-O 3.38Å; Y548-D550 HydrophobicContact CE2-CB 4.2Å; Y548-D550 PolarHBondContact O-N 3.29Å; Y548-M551 HydrophobicContact CD1-CG 3.83Å; Y548-M551 VanDerWaalsContact O-CG 3.26Å; Y548-M551 WeakPolarHBondContact O-CG 3.37Å | ||
| 549 | V | 79.3 | Confident | 81.6 | Confident | 19 Ų | 19 | 43.6 Ų | 43.6 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -28.1 | -171.8 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | T543 A547 M551 L575 Q578 A580 | T543-V549 HydrophobicContact CG2-CG2 4.13Å; A547-V549 PolarHBondContact O-N 3.11Å; V549-M551 VanDerWaalsContact C-N 3.28Å; V549-M551 PolarHBondContact O-N 3.47Å; V549-L575 HydrophobicContact CG1-CD2 3.58Å; V549-Q578 HydrophobicContact CG2-CB 4.03Å; V549-A580 HydrophobicContact CG1-CB 3.67Å |
| 550 | D | 81.4 | Confident | 81.7 | Confident | 32 Ų | 32 | 43.7 Ų | 43.7 | 17% | 0.171 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 22.2 | -175.9 | -81.7 | -15.6 | 0 | 0 | 0 | 113.6 | Y548 S581 L584 | Y548-D550 VanDerWaalsContact C-N 3.34Å; Y548-D550 HydrophobicContact CD1-CB 4.39Å; Y548-D550 VanDerWaalsContact CE1-C 3.41Å; Y548-D550 HydrophobicContact CE1-CB 3.68Å; Y548-D550 WeakPolarHBondContact CE1-O 3.38Å; Y548-D550 HydrophobicContact CE2-CB 4.2Å; Y548-D550 PolarHBondContact O-N 3.29Å; D550-S581 PolarHBondContact OD1-N 2.93Å; D550-S581 WeakPolarHBondContact OD2-CB 3.37Å; D550-L584 HydrophobicContact CB-CD1 3.74Å |
| 551 | M | 80.7 | Confident | 81.9 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 14% | 0.143 | 22% | 0.223 | C | C | . | . | trans | -59 | 142.9 | 172.4 | -70.1 | 176.6 | -165.5 | 0 | 0 | 110.9 | E519 S525 H528 Y548 V549 S558 | E519-M551 WeakPolarHBondContact OE2-CE 3.3Å; S525-M551 PolarHBondContact OG-SD 2.94Å; H528-M551 PolarHBondContact CE1-O 3.13Å; H528-M551 PolarHBondContact NE2-O 3.25Å; Y548-M551 HydrophobicContact CD1-CG 3.83Å; Y548-M551 VanDerWaalsContact O-CG 3.26Å; Y548-M551 WeakPolarHBondContact O-CG 3.37Å; V549-M551 VanDerWaalsContact C-N 3.28Å; V549-M551 PolarHBondContact O-N 3.47Å; M551-S558 WeakPolarHBondContact O-CA 3.37Å | ||
| 552 | Q | 84.5 | Confident | 82.1 | Confident | 92 Ų | 92 | 39.9 Ų | 39.9 | 43% | 0.43 | 22% | 0.223 | S | C | . | . | B | Isolated β-bridge | trans | -113.3 | 139.4 | 173.9 | -67.7 | -179.4 | -56.1 | 0 | 0 | 110.4 | G556 R557 N585 | Q552-G556 PolarHBondContact NE2-O 2.89Å; Q552-R557 WeakPolarHBondContact CA-O 3.33Å; Q552-N585 PolarHBondContact NE2-O 3.44Å |
| 553 | D | 84.1 | Confident | 82.5 | Confident | 15 Ų | 15 | 39.6 Ų | 39.6 | 8% | 0.08 | 22% | 0.222 | C | C | . | . | trans | -73.3 | 179 | 171.4 | 74.1 | 3 | 0 | 0 | 0 | 112.3 | H528 A555 G556 R557 | H528-D553 PolarHBondContact NE2-N 3.5Å; D553-A555 PolarHBondContact O-N 3.25Å; D553-A555 VanDerWaalsContact OD1-CA 3.31Å; D553-A555 WeakPolarHBondContact OD1-CA 3.25Å; D553-A555 WeakPolarHBondContact OD1-CB 3.41Å; D553-A555 PolarHBondContact OD1-N 3.38Å; D553-G556 PolarHBondContact O-N 2.9Å; D553-G556 PolarHBondContact OD1-N 3.24Å; D553-G556 VanDerWaalsContact OD1-N 3.11Å; D553-R557 PolarHBondContact N-O 2.82Å; D553-R557 WeakPolarHBondContact OD1-CB 3.45Å; D553-R557 PolarHBondContact OD1-N 2.97Å; D553-R557 IonicContact OD1-NE 2.66Å; D553-R557 IonicContact OD2-CZ 3.4Å; D553-R557 IonicContact OD2-NE 3.59Å; D553-R557 PolarHBondContact OD2-NE 3.07Å; D553-R557 IonicContact OD2-NH2 3.12Å; D553-R557 PolarHBondContact OD2-NH2 2.89Å | ||
| 554 | A | 81.3 | Confident | 83 | Confident | 82 Ų | 82 | 39.2 Ų | 39.2 | 68% | 0.678 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.8 | -19.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | P523 | P523-A554 HydrophobicContact CB-CB 4.2Å; P523-A554 PolarHBondContact O-N 3.12Å |
| 555 | A | 82.1 | Confident | 83.5 | Confident | 21 Ų | 21 | 36.1 Ų | 36.1 | 17% | 0.174 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 3.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113 | D553 R557 N587 | D553-A555 PolarHBondContact O-N 3.25Å; D553-A555 VanDerWaalsContact OD1-CA 3.31Å; D553-A555 WeakPolarHBondContact OD1-CA 3.25Å; D553-A555 WeakPolarHBondContact OD1-CB 3.41Å; D553-A555 PolarHBondContact OD1-N 3.38Å; A555-R557 VanDerWaalsContact C-N 3.31Å; A555-R557 HydrophobicContact CB-CG 4.22Å; A555-N587 WeakPolarHBondContact O-CB 3.39Å; A555-N587 PolarHBondContact O-N 3.31Å |
| 556 | G | 84.3 | Confident | 84.5 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | S | Bend | trans | 80.2 | 7.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q552 D553 N587 | Q552-G556 PolarHBondContact NE2-O 2.89Å; D553-G556 PolarHBondContact O-N 2.9Å; D553-G556 PolarHBondContact OD1-N 3.24Å; D553-G556 VanDerWaalsContact OD1-N 3.11Å; G556-N587 PolarHBondContact N-ND2 3.39Å |
| 557 | R | 87.9 | Confident | 86 | Confident | 77 Ų | 77 | 35 Ų | 35 | 29% | 0.291 | 18% | 0.184 | S | C | . | . | trans | -82 | 128.8 | -176.1 | -58.7 | 177.1 | -63.8 | 175.1 | 1.9 | 109.7 | H528 Q552 D553 A555 Y561 D586 | H528-R557 PolarHBondContact NE2-O 3.38Å; Q552-R557 WeakPolarHBondContact CA-O 3.33Å; D553-R557 PolarHBondContact N-O 2.82Å; D553-R557 WeakPolarHBondContact OD1-CB 3.45Å; D553-R557 PolarHBondContact OD1-N 2.97Å; D553-R557 IonicContact OD1-NE 2.66Å; D553-R557 IonicContact OD2-CZ 3.4Å; D553-R557 IonicContact OD2-NE 3.59Å; D553-R557 PolarHBondContact OD2-NE 3.07Å; D553-R557 IonicContact OD2-NH2 3.12Å; D553-R557 PolarHBondContact OD2-NH2 2.89Å; A555-R557 VanDerWaalsContact C-N 3.31Å; A555-R557 HydrophobicContact CB-CG 4.22Å; R557-Y561 HydrophobicContact CB-CD1 3.86Å; R557-Y561 HydrophobicContact CB-CE1 4.41Å; R557-Y561 HydrophobicContact CB-CG 4.2Å; R557-Y561 HydrophobicContact CG-CD1 3.9Å; R557-Y561 HydrophobicContact CG-CE1 3.93Å; R557-Y561 HydrophobicContact CG-CG 4.44Å; R557-D586 HydrophobicContact CG-CB 4.08Å | ||
| 558 | S | 89.7 | Confident | 87.5 | Confident | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -74.7 | 163.1 | 173.4 | 68.5 | 0 | 0 | 0 | 0 | 112.3 | M551 L560 Y561 L562 | M551-S558 WeakPolarHBondContact O-CA 3.37Å; S558-L560 PolarHBondContact O-N 2.87Å; S558-Y561 VanDerWaalsContact O-CB 3.29Å; S558-Y561 WeakPolarHBondContact O-CB 3.38Å; S558-Y561 PolarHBondContact O-N 3.36Å; S558-Y561 VanDerWaalsContact O-N 3.09Å; S558-Y561 PolarHBondContact OG-N 3.2Å; S558-Y561 VanDerWaalsContact OG-N 3.13Å; S558-L562 PolarHBondContact O-N 3.48Å |
| 559 | V | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -57.1 | -41.3 | 172.9 | -175.2 | 0 | 0 | 0 | 0 | 111.1 | L527 A531 L539 Y561 L562 A563 L575 | L527-V559 HydrophobicContact CB-CG1 4.1Å; L527-V559 HydrophobicContact CB-CG2 3.89Å; A531-V559 HydrophobicContact CB-CG1 3.46Å; A531-V559 VanDerWaalsContact CB-CG1 3.46Å; L539-V559 HydrophobicContact CD1-CG1 4.17Å; V559-Y561 VanDerWaalsContact C-N 3.34Å; V559-Y561 PolarHBondContact O-N 3.14Å; V559-L562 PolarHBondContact O-N 3.49Å; V559-A563 PolarHBondContact O-N 3.39Å; V559-L575 HydrophobicContact CB-CD2 4.4Å; V559-L575 HydrophobicContact CG1-CD1 3.95Å; V559-L575 HydrophobicContact CG1-CD2 3.82Å |
| 560 | L | 91.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.9 | -39.1 | 175.7 | -177.4 | 62.7 | 0 | 0 | 0 | 112.1 | S558 L562 A563 A564 V572 L575 L576 A580 P593 M609 | S558-L560 PolarHBondContact O-N 2.87Å; L560-L562 PolarHBondContact O-N 2.95Å; L560-A563 PolarHBondContact O-N 3.3Å; L560-A564 WeakPolarHBondContact O-CB 3.14Å; L560-A564 PolarHBondContact O-N 3.5Å; L560-V572 HydrophobicContact CD1-CB 4.29Å; L560-V572 HydrophobicContact CD1-CG1 3.96Å; L560-V572 HydrophobicContact CD1-CG2 4.12Å; L560-L575 HydrophobicContact CB-CD1 4.32Å; L560-L575 HydrophobicContact CD1-CB 4.2Å; L560-L575 HydrophobicContact CD1-CD1 4.18Å; L560-L576 HydrophobicContact CD1-CG 4.49Å; L560-L576 HydrophobicContact CD2-CD2 4.07Å; L560-A580 HydrophobicContact CB-CB 4.36Å; L560-A580 HydrophobicContact CD2-CB 4.16Å; L560-P593 HydrophobicContact CB-CG 4.33Å; L560-P593 HydrophobicContact CD2-CB 4.21Å; L560-P593 HydrophobicContact CD2-CG 4.1Å; L560-P593 HydrophobicContact CG-CB 4.01Å; L560-P593 HydrophobicContact CG-CG 4.05Å; L560-M609 HydrophobicContact CD1-SD 4.34Å; L560-M609 HydrophobicContact CD2-SD 4.28Å; L560-M609 HydrophobicContact CG-SD 4.28Å |
| 561 | Y | 91.9 | Very high | 89.6 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 4% | 0.043 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -58.3 | -45.9 | 175.9 | -178.8 | -76.3 | 0 | 0 | 0 | 111.5 | R557 S558 V559 A564 Q565 D586 W591 V596 | R557-Y561 HydrophobicContact CB-CD1 3.86Å; R557-Y561 HydrophobicContact CB-CE1 4.41Å; R557-Y561 HydrophobicContact CB-CG 4.2Å; R557-Y561 HydrophobicContact CG-CD1 3.9Å; R557-Y561 HydrophobicContact CG-CE1 3.93Å; R557-Y561 HydrophobicContact CG-CG 4.44Å; S558-Y561 VanDerWaalsContact O-CB 3.29Å; S558-Y561 WeakPolarHBondContact O-CB 3.38Å; S558-Y561 PolarHBondContact O-N 3.36Å; S558-Y561 VanDerWaalsContact O-N 3.09Å; S558-Y561 PolarHBondContact OG-N 3.2Å; S558-Y561 VanDerWaalsContact OG-N 3.13Å; V559-Y561 VanDerWaalsContact C-N 3.34Å; V559-Y561 PolarHBondContact O-N 3.14Å; Y561-A564 PolarHBondContact O-N 3.35Å; Y561-Q565 VanDerWaalsContact O-CB 3.31Å; Y561-Q565 WeakPolarHBondContact O-CB 3.4Å; Y561-Q565 PolarHBondContact O-N 2.97Å; Y561-D586 HydrophobicContact CE2-CB 4.35Å; Y561-W591 HydrophobicContact CE2-CB 3.91Å; Y561-V596 HydrophobicContact CD1-CG1 4.42Å; Y561-V596 HydrophobicContact CD2-CB 4.45Å; Y561-V596 HydrophobicContact CD2-CG1 3.9Å; Y561-V596 HydrophobicContact CE1-CB 4.46Å; Y561-V596 HydrophobicContact CE1-CG1 4.36Å; Y561-V596 HydrophobicContact CE1-CG2 4.19Å; Y561-V596 HydrophobicContact CE2-CB 3.92Å; Y561-V596 HydrophobicContact CE2-CG1 3.88Å; Y561-V596 HydrophobicContact CE2-CG2 4.45Å; Y561-V596 HydrophobicContact CG-CG1 4.18Å |
| 562 | L | 92.1 | Very high | 90.2 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | -179.7 | -66 | 178.6 | 0 | 0 | 0 | 112 | H528 S558 V559 L560 A564 Q565 K566 | H528-L562 HydrophobicContact CB-CD1 3.93Å; S558-L562 PolarHBondContact O-N 3.48Å; V559-L562 PolarHBondContact O-N 3.49Å; L560-L562 PolarHBondContact O-N 2.95Å; L562-A564 VanDerWaalsContact C-N 3.34Å; L562-A564 PolarHBondContact O-N 3.29Å; L562-Q565 PolarHBondContact O-N 3.01Å; L562-K566 PolarHBondContact O-N 3.25Å |
| 563 | A | 93.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.4 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A531 V559 L560 K566 G567 Y568 C571 V572 L575 | A531-A563 HydrophobicContact CB-CB 4.31Å; V559-A563 PolarHBondContact O-N 3.39Å; L560-A563 PolarHBondContact O-N 3.3Å; A563-K566 PolarHBondContact O-N 3.32Å; A563-G567 PolarHBondContact O-N 3.45Å; A563-Y568 PolarHBondContact O-N 2.85Å; A563-C571 HydrophobicContact CB-CB 4.01Å; A563-V572 HydrophobicContact CB-CG2 3.92Å; A563-L575 HydrophobicContact CB-CD1 4.08Å |
| 564 | A | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -66.7 | -36 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L560 Y561 L562 K566 G567 P593 V596 A597 H602 M609 | L560-A564 WeakPolarHBondContact O-CB 3.14Å; L560-A564 PolarHBondContact O-N 3.5Å; Y561-A564 PolarHBondContact O-N 3.35Å; L562-A564 VanDerWaalsContact C-N 3.34Å; L562-A564 PolarHBondContact O-N 3.29Å; A564-K566 VanDerWaalsContact C-N 3.33Å; A564-K566 PolarHBondContact O-N 3.49Å; A564-G567 PolarHBondContact O-N 2.92Å; A564-P593 HydrophobicContact CB-CB 4.22Å; A564-V596 HydrophobicContact CB-CG1 4.14Å; A564-A597 HydrophobicContact CB-CB 4.3Å; A564-H602 PolarHBondContact O-CD2 2.77Å; A564-M609 HydrophobicContact CB-CE 3.96Å; A564-M609 HydrophobicContact CB-SD 4.21Å |
| 565 | Q | 93.6 | Very high | 91.3 | Very high | 54 Ų | 54 | 31.1 Ų | 31.1 | 25% | 0.252 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.7 | -39.4 | 176.8 | -178.3 | 177.9 | 43.9 | 0 | 0 | 112.3 | Y561 L562 V596 H602 | Y561-Q565 VanDerWaalsContact O-CB 3.31Å; Y561-Q565 WeakPolarHBondContact O-CB 3.4Å; Y561-Q565 PolarHBondContact O-N 2.97Å; L562-Q565 PolarHBondContact O-N 3.01Å; Q565-V596 HydrophobicContact CB-CG1 4.37Å; Q565-V596 HydrophobicContact CB-CG2 3.67Å; Q565-V596 HydrophobicContact CG-CG2 3.72Å; Q565-H602 PolarHBondContact O-NE2 3.26Å |
| 566 | K | 92.6 | Very high | 91.7 | Very high | 102 Ų | 102 | 30.8 Ų | 30.8 | 44% | 0.443 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -89.2 | -13.4 | -179.4 | -60.5 | -63.4 | -175.5 | 179.3 | 0 | 113.8 | L562 A563 A564 Y568 | L562-K566 PolarHBondContact O-N 3.25Å; A563-K566 PolarHBondContact O-N 3.32Å; A564-K566 VanDerWaalsContact C-N 3.33Å; A564-K566 PolarHBondContact O-N 3.49Å; K566-Y568 HydrophobicContact CB-CD2 3.53Å; K566-Y568 HydrophobicContact CB-CE2 3.25Å; K566-Y568 HydrophobicContact CB-CG 4.31Å; K566-Y568 HydrophobicContact CG-CD2 4.35Å; K566-Y568 HydrophobicContact CG-CE2 3.79Å |
| 567 | G | 93.5 | Very high | 91.9 | Very high | 22 Ų | 22 | 34 Ų | 34 | 23% | 0.227 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.6 | 25.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | A563 A564 A569 H602 C605 | A563-G567 PolarHBondContact O-N 3.45Å; A564-G567 PolarHBondContact O-N 2.92Å; G567-A569 VanDerWaalsContact C-N 3.35Å; G567-A569 PolarHBondContact O-N 2.83Å; G567-H602 WeakPolarHBondContact CA-ND1 3.38Å; G567-H602 PolarHBondContact N-NE2 2.85Å; G567-C605 VanDerWaalsContact C-SG 3.59Å |
| 568 | Y | 95.4 | Very high | 91.8 | Very high | 84 Ų | 84 | 34.9 Ų | 34.9 | 33% | 0.329 | 18% | 0.176 | S | C | . | . | trans | -80 | 81.3 | -179.2 | -62 | -52 | 0 | 0 | 0 | 111.7 | A531 D532 G534 A563 K566 R570 C571 V572 | A531-Y568 VanDerWaalsContact O-CD2 3.28Å; A531-Y568 WeakPolarHBondContact O-CD2 3.29Å; D532-Y568 WeakPolarHBondContact O-CE2 3.41Å; G534-Y568 VanDerWaalsContact CA-CG 3.46Å; G534-Y568 VanDerWaalsContact N-CE2 3.29Å; A563-Y568 PolarHBondContact O-N 2.85Å; K566-Y568 HydrophobicContact CB-CD2 3.53Å; K566-Y568 HydrophobicContact CB-CE2 3.25Å; K566-Y568 HydrophobicContact CB-CG 4.31Å; K566-Y568 HydrophobicContact CG-CD2 4.35Å; K566-Y568 HydrophobicContact CG-CE2 3.79Å; Y568-R570 VanDerWaalsContact C-N 3.33Å; Y568-R570 PolarHBondContact O-N 3.12Å; Y568-C571 WeakPolarHBondContact O-CB 3.18Å; Y568-C571 PolarHBondContact O-N 3.14Å; Y568-V572 PolarHBondContact O-N 3.4Å | ||
| 569 | A | 93 | Very high | 91.6 | Very high | 31 Ų | 31 | 37.6 Ų | 37.6 | 26% | 0.256 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -50.7 | -46 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G567 C571 V572 E573 D604 M608 | G567-A569 VanDerWaalsContact C-N 3.35Å; G567-A569 PolarHBondContact O-N 2.83Å; A569-C571 VanDerWaalsContact C-N 3.33Å; A569-C571 PolarHBondContact O-N 3.12Å; A569-V572 WeakPolarHBondContact O-CB 3.47Å; A569-V572 PolarHBondContact O-N 3.25Å; A569-E573 PolarHBondContact O-N 3.35Å; A569-D604 HydrophobicContact CB-CB 4.46Å; A569-M608 HydrophobicContact CB-CE 3.66Å; A569-M608 VanDerWaalsContact O-CE 3.3Å; A569-M608 WeakPolarHBondContact O-CE 3.48Å |
| 570 | R | 93.1 | Very high | 91.5 | Very high | 153 Ų | 153 | 38 Ų | 38 | 58% | 0.577 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -65.7 | -31.8 | 178 | -65.3 | -59.7 | -177 | 177.1 | -2 | 113.8 | W536 Y568 E573 V574 | W536-R570 HydrophobicContact CB-CB 4.03Å; W536-R570 HydrophobicContact CG-CB 3.98Å; Y568-R570 VanDerWaalsContact C-N 3.33Å; Y568-R570 PolarHBondContact O-N 3.12Å; R570-E573 WeakPolarHBondContact CD-OE2 3.37Å; R570-E573 IonicContact CZ-OE2 3.72Å; R570-E573 IonicContact NE-OE2 2.79Å; R570-E573 IonicContact NH1-OE1 2.67Å; R570-E573 PolarHBondContact NH1-OE1 2.86Å; R570-E573 IonicContact NH1-OE2 3.75Å; R570-E573 PolarHBondContact NH1-OE2 3.2Å; R570-V574 VanDerWaalsContact O-CG2 3.31Å; R570-V574 WeakPolarHBondContact O-CG2 3.13Å; R570-V574 PolarHBondContact O-N 3.29Å; R570-V574 VanDerWaalsContact O-N 3.17Å |
| 571 | C | 92.9 | Very high | 91.3 | Very high | 1 Ų | 1 | 39.7 Ų | 39.7 | 1% | 0.007 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.7 | -42.2 | 173.8 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | G534 L539 A563 Y568 A569 E573 V574 L575 | G534-C571 VanDerWaalsContact CA-SG 3.59Å; L539-C571 HydrophobicContact CD2-CB 3.77Å; A563-C571 HydrophobicContact CB-CB 4.01Å; Y568-C571 WeakPolarHBondContact O-CB 3.18Å; Y568-C571 PolarHBondContact O-N 3.14Å; A569-C571 VanDerWaalsContact C-N 3.33Å; A569-C571 PolarHBondContact O-N 3.12Å; C571-E573 VanDerWaalsContact C-N 3.35Å; C571-E573 PolarHBondContact O-N 3.25Å; C571-V574 PolarHBondContact O-N 3.46Å; C571-L575 VanDerWaalsContact O-CG 3.23Å; C571-L575 WeakPolarHBondContact O-CG 3.39Å; C571-L575 PolarHBondContact O-N 3.29Å |
| 572 | V | 92.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.8 | -46.1 | 174.6 | 171 | 0 | 0 | 0 | 0 | 110.9 | L560 A563 Y568 A569 V574 L575 L576 C605 M608 M609 | L560-V572 HydrophobicContact CD1-CB 4.29Å; L560-V572 HydrophobicContact CD1-CG1 3.96Å; L560-V572 HydrophobicContact CD1-CG2 4.12Å; A563-V572 HydrophobicContact CB-CG2 3.92Å; Y568-V572 PolarHBondContact O-N 3.4Å; A569-V572 WeakPolarHBondContact O-CB 3.47Å; A569-V572 PolarHBondContact O-N 3.25Å; V572-V574 PolarHBondContact O-N 3.22Å; V572-L575 PolarHBondContact O-N 3.1Å; V572-L576 HydrophobicContact CG1-CD1 3.61Å; V572-L576 HydrophobicContact CG1-CG 4.18Å; V572-L576 WeakPolarHBondContact O-CB 3.28Å; V572-L576 VanDerWaalsContact O-CG 3.25Å; V572-L576 WeakPolarHBondContact O-CG 3.32Å; V572-L576 PolarHBondContact O-N 3.48Å; V572-C605 HydrophobicContact CG2-CB 4.25Å; V572-M608 HydrophobicContact CB-CE 4.13Å; V572-M608 HydrophobicContact CG1-CB 4.44Å; V572-M608 HydrophobicContact CG1-CE 4.01Å; V572-M609 HydrophobicContact CG1-CG 3.97Å |
| 573 | E | 92.3 | Very high | 90.7 | Very high | 67 Ų | 67 | 43.5 Ų | 43.5 | 31% | 0.313 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -56.5 | -48.2 | 175.9 | -177.2 | -177.1 | -164.7 | 0 | 0 | 112.1 | A569 R570 C571 L575 L576 A577 M608 | A569-E573 PolarHBondContact O-N 3.35Å; R570-E573 WeakPolarHBondContact CD-OE2 3.37Å; R570-E573 IonicContact CZ-OE2 3.72Å; R570-E573 IonicContact NE-OE2 2.79Å; R570-E573 IonicContact NH1-OE1 2.67Å; R570-E573 PolarHBondContact NH1-OE1 2.86Å; R570-E573 IonicContact NH1-OE2 3.75Å; R570-E573 PolarHBondContact NH1-OE2 3.2Å; C571-E573 VanDerWaalsContact C-N 3.35Å; C571-E573 PolarHBondContact O-N 3.25Å; E573-L575 PolarHBondContact O-N 3.42Å; E573-L576 PolarHBondContact O-N 3.08Å; E573-A577 WeakPolarHBondContact O-CB 3.14Å; E573-A577 PolarHBondContact O-N 3.01Å; E573-M608 HydrophobicContact CB-SD 4.12Å |
| 574 | V | 91 | Very high | 90.3 | Very high | 19 Ų | 19 | 45.4 Ų | 45.4 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63 | -42.8 | 178.7 | 170.8 | 0 | 0 | 0 | 0 | 111.5 | W536 R540 R570 C571 V572 A577 Q578 | W536-V574 HydrophobicContact CE3-CG2 4.42Å; R540-V574 HydrophobicContact CB-CG1 4.04Å; R540-V574 HydrophobicContact CG-CG1 4.27Å; R570-V574 VanDerWaalsContact O-CG2 3.31Å; R570-V574 WeakPolarHBondContact O-CG2 3.13Å; R570-V574 PolarHBondContact O-N 3.29Å; R570-V574 VanDerWaalsContact O-N 3.17Å; C571-V574 PolarHBondContact O-N 3.46Å; V572-V574 PolarHBondContact O-N 3.22Å; V574-A577 PolarHBondContact O-N 2.96Å; V574-Q578 WeakPolarHBondContact O-CG 3.48Å; V574-Q578 PolarHBondContact O-N 3.22Å |
| 575 | L | 90.5 | Very high | 90 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -67.1 | -43.9 | 179.9 | -68.9 | 167.2 | 0 | 0 | 0 | 111.8 | L539 T543 V549 V559 L560 A563 C571 V572 E573 Q578 G579 A580 | L539-L575 HydrophobicContact CD1-CD2 4.23Å; L539-L575 HydrophobicContact CD2-CD1 3.99Å; L539-L575 HydrophobicContact CD2-CD2 3.94Å; L539-L575 HydrophobicContact CD2-CG 3.72Å; L539-L575 HydrophobicContact CG-CD2 4.22Å; T543-L575 HydrophobicContact CG2-CD2 4.46Å; V549-L575 HydrophobicContact CG1-CD2 3.58Å; V559-L575 HydrophobicContact CB-CD2 4.4Å; V559-L575 HydrophobicContact CG1-CD1 3.95Å; V559-L575 HydrophobicContact CG1-CD2 3.82Å; L560-L575 HydrophobicContact CB-CD1 4.32Å; L560-L575 HydrophobicContact CD1-CB 4.2Å; L560-L575 HydrophobicContact CD1-CD1 4.18Å; A563-L575 HydrophobicContact CB-CD1 4.08Å; C571-L575 VanDerWaalsContact O-CG 3.23Å; C571-L575 WeakPolarHBondContact O-CG 3.39Å; C571-L575 PolarHBondContact O-N 3.29Å; V572-L575 PolarHBondContact O-N 3.1Å; E573-L575 PolarHBondContact O-N 3.42Å; L575-Q578 CarbonylContact O-C 3.53Å; L575-Q578 PolarHBondContact O-N 3.13Å; L575-Q578 VanDerWaalsContact O-N 3.16Å; L575-G579 PolarHBondContact O-N 3.14Å; L575-A580 HydrophobicContact CB-CB 3.91Å; L575-A580 WeakPolarHBondContact O-CB 3.29Å; L575-A580 PolarHBondContact O-N 3.14Å |
| 576 | L | 89.5 | Confident | 89.7 | Confident | 15 Ų | 15 | 46 Ų | 46 | 8% | 0.079 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 177.5 | -69.6 | 172.6 | 0 | 0 | 0 | 111.7 | L560 V572 E573 Q578 G579 M608 M609 Y612 | L560-L576 HydrophobicContact CD1-CG 4.49Å; L560-L576 HydrophobicContact CD2-CD2 4.07Å; V572-L576 HydrophobicContact CG1-CD1 3.61Å; V572-L576 HydrophobicContact CG1-CG 4.18Å; V572-L576 WeakPolarHBondContact O-CB 3.28Å; V572-L576 VanDerWaalsContact O-CG 3.25Å; V572-L576 WeakPolarHBondContact O-CG 3.32Å; V572-L576 PolarHBondContact O-N 3.48Å; E573-L576 PolarHBondContact O-N 3.08Å; L576-Q578 PolarHBondContact O-N 2.95Å; L576-G579 PolarHBondContact O-N 3.15Å; L576-M608 HydrophobicContact CD1-CB 3.98Å; L576-M609 HydrophobicContact CD1-CG 4.06Å; L576-M609 HydrophobicContact CD2-CG 4.42Å; L576-Y612 HydrophobicContact CB-CD1 4.36Å; L576-Y612 HydrophobicContact CB-CG 4.29Å; L576-Y612 HydrophobicContact CD1-CD2 4.33Å; L576-Y612 HydrophobicContact CD1-CG 4.36Å |
| 577 | A | 88.4 | Confident | 89.4 | Confident | 68 Ų | 68 | 46.2 Ų | 46.2 | 56% | 0.562 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -61.2 | -24.1 | 175 | 0 | 0 | 0 | 0 | 0 | 113.2 | E573 V574 | E573-A577 WeakPolarHBondContact O-CB 3.14Å; E573-A577 PolarHBondContact O-N 3.01Å; V574-A577 PolarHBondContact O-N 2.96Å |
| 578 | Q | 86.6 | Confident | 88.9 | Confident | 97 Ų | 97 | 51.1 Ų | 51.1 | 45% | 0.453 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 10.1 | 176.6 | -61 | -64.3 | -19.1 | 0 | 0 | 113.1 | T543 V549 V574 L575 L576 | T543-Q578 HydrophobicContact CG2-CG 4.5Å; V549-Q578 HydrophobicContact CG2-CB 4.03Å; V574-Q578 WeakPolarHBondContact O-CG 3.48Å; V574-Q578 PolarHBondContact O-N 3.22Å; L575-Q578 CarbonylContact O-C 3.53Å; L575-Q578 PolarHBondContact O-N 3.13Å; L575-Q578 VanDerWaalsContact O-N 3.16Å; L576-Q578 PolarHBondContact O-N 2.95Å |
| 579 | G | 85.8 | Confident | 88.4 | Confident | 57 Ų | 57 | 49.6 Ų | 49.6 | 59% | 0.588 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.7 | 25.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L575 L576 | L575-G579 PolarHBondContact O-N 3.14Å; L576-G579 PolarHBondContact O-N 3.15Å |
| 580 | A | 87.6 | Confident | 88 | Confident | 10 Ų | 10 | 52 Ų | 52 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | trans | -59.8 | 135 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V549 L560 L575 | V549-A580 HydrophobicContact CG1-CB 3.67Å; L560-A580 HydrophobicContact CB-CB 4.36Å; L560-A580 HydrophobicContact CD2-CB 4.16Å; L575-A580 HydrophobicContact CB-CB 3.91Å; L575-A580 WeakPolarHBondContact O-CB 3.29Å; L575-A580 PolarHBondContact O-N 3.14Å | ||
| 581 | S | 87.8 | Confident | 87.9 | Confident | 35 Ų | 35 | 47.1 Ų | 47.1 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | trans | -79.9 | 128.2 | -178.7 | -178.7 | 0 | 0 | 0 | 0 | 113.2 | D550 L583 | D550-S581 PolarHBondContact OD1-N 2.93Å; D550-S581 WeakPolarHBondContact OD2-CB 3.37Å; S581-L583 VanDerWaalsContact C-N 3.27Å; S581-L583 PolarHBondContact O-N 3.49Å; S581-L583 PolarHBondContact OG-N 2.92Å | ||
| 582 | C | 86.8 | Confident | 87.8 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 7% | 0.068 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.5 | -4.5 | 172.8 | -65.7 | 0 | 0 | 0 | 0 | 113.8 | T592 I594 L618 | C582-T592 WeakPolarHBondContact O-CB 3.42Å; C582-I594 HydrophobicContact CB-CD1 4.35Å; C582-L618 HydrophobicContact CB-CD2 4.09Å |
| 583 | L | 84.1 | Confident | 87.7 | Confident | 89 Ų | 89 | 47.3 Ų | 47.3 | 47% | 0.466 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -11.7 | -172.5 | -69.1 | 172.1 | 0 | 0 | 0 | 114.1 | S581 N585 L618 | S581-L583 VanDerWaalsContact C-N 3.27Å; S581-L583 PolarHBondContact O-N 3.49Å; S581-L583 PolarHBondContact OG-N 2.92Å; L583-N585 PolarHBondContact O-N 3.35Å; L583-L618 HydrophobicContact CD2-CD2 3.36Å; L583-L618 HydrophobicContact CG-CD2 3.91Å |
| 584 | L | 85.8 | Confident | 87.7 | Confident | 40 Ų | 40 | 44.1 Ų | 44.1 | 21% | 0.209 | 25% | 0.251 | C | S | . | . | trans | -65.4 | 130.5 | -179.4 | -63.8 | 174.9 | 0 | 0 | 0 | 110.7 | D550 P593 | D550-L584 HydrophobicContact CB-CD1 3.74Å; L584-P593 WeakPolarHBondContact O-CD 3.4Å | ||
| 585 | N | 86.1 | Confident | 87.8 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 33% | 0.326 | 25% | 0.245 | S | C | . | . | trans | -106.7 | 148.3 | -175.4 | 45.8 | 43.9 | 0 | 0 | 0 | 111.4 | Q552 L583 M590 W591 | Q552-N585 PolarHBondContact NE2-O 3.44Å; L583-N585 PolarHBondContact O-N 3.35Å; N585-M590 HydrophobicContact CB-CB 4.49Å; N585-M590 HydrophobicContact CB-CE 4.08Å; N585-M590 HydrophobicContact CB-SD 4.33Å; N585-M590 VanDerWaalsContact CG-CE 3.49Å; N585-M590 WeakPolarHBondContact ND2-CE 3.43Å; N585-W591 WeakPolarHBondContact CA-O 3.35Å | ||
| 586 | D | 88.3 | Confident | 87.9 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 3% | 0.032 | 25% | 0.245 | C | C | . | . | trans | -74 | 156.2 | 167.8 | 88.3 | -56.2 | 0 | 0 | 0 | 111.3 | R557 Y561 H588 L589 M590 W591 | R557-D586 HydrophobicContact CG-CB 4.08Å; Y561-D586 HydrophobicContact CE2-CB 4.35Å; D586-H588 VanDerWaalsContact C-N 3.31Å; D586-H588 PolarHBondContact O-N 2.97Å; D586-H588 WeakPolarHBondContact OD2-CB 3.28Å; D586-H588 PolarHBondContact OD2-N 2.94Å; D586-H588 VanDerWaalsContact OD2-N 3.11Å; D586-L589 PolarHBondContact OD1-N 3.22Å; D586-L589 PolarHBondContact OD2-N 2.89Å; D586-M590 WeakPolarHBondContact O-CA 3.37Å; D586-M590 PolarHBondContact O-N 2.92Å; D586-M590 WeakPolarHBondContact OD1-CA 3.34Å; D586-M590 PolarHBondContact OD1-N 2.82Å; D586-W591 PolarHBondContact N-O 2.85Å; D586-W591 VanDerWaalsContact N-O 3.12Å; D586-W591 PolarHBondContact OD1-N 3.08Å | ||
| 587 | N | 85.5 | Confident | 88.1 | Confident | 105 Ų | 105 | 42.5 Ų | 42.5 | 56% | 0.561 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -17.6 | -177.8 | -68.9 | -24.2 | 0 | 0 | 0 | 113.6 | A555 G556 | A555-N587 WeakPolarHBondContact O-CB 3.39Å; A555-N587 PolarHBondContact O-N 3.31Å; G556-N587 PolarHBondContact N-ND2 3.39Å |
| 588 | H | 83.3 | Confident | 88.4 | Confident | 125 Ų | 125 | 39.3 Ų | 39.3 | 58% | 0.579 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -54.8 | -172.4 | -64 | -73.1 | 0 | 0 | 0 | 113 | D586 | D586-H588 VanDerWaalsContact C-N 3.31Å; D586-H588 PolarHBondContact O-N 2.97Å; D586-H588 WeakPolarHBondContact OD2-CB 3.28Å; D586-H588 PolarHBondContact OD2-N 2.94Å; D586-H588 VanDerWaalsContact OD2-N 3.11Å |
| 589 | L | 84.4 | Confident | 88.7 | Confident | 53 Ų | 53 | 35.8 Ų | 35.8 | 28% | 0.277 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | -8.1 | -173.5 | -63.2 | 178.2 | 0 | 0 | 0 | 113.2 | D586 W591 K624 F625 | D586-L589 PolarHBondContact OD1-N 3.22Å; D586-L589 PolarHBondContact OD2-N 2.89Å; L589-W591 HydrophobicContact CB-CB 4.45Å; L589-W591 HydrophobicContact CB-CD2 4.02Å; L589-W591 HydrophobicContact CB-CG 3.79Å; L589-W591 HydrophobicContact CD1-CD2 3.81Å; L589-W591 HydrophobicContact CD1-CE3 4.04Å; L589-W591 HydrophobicContact CD1-CG 4.47Å; L589-W591 HydrophobicContact CD1-CH2 3.85Å; L589-W591 HydrophobicContact CD1-CZ2 3.62Å; L589-W591 HydrophobicContact CD1-CZ3 4.06Å; L589-W591 PolarHBondContact O-N 2.82Å; L589-K624 VanDerWaalsContact O-CB 3.31Å; L589-K624 WeakPolarHBondContact O-CB 3.42Å; L589-K624 PolarHBondContact O-N 3.16Å; L589-F625 HydrophobicContact CD2-CE2 3.87Å |
| 590 | M | 86.5 | Confident | 89.1 | Confident | 82 Ų | 82 | 36.5 Ų | 36.5 | 40% | 0.404 | 19% | 0.193 | S | C | . | . | trans | 59.1 | 30.2 | -169.1 | -58.2 | -69 | -67.3 | 0 | 0 | 112.5 | N585 D586 K624 | N585-M590 HydrophobicContact CB-CB 4.49Å; N585-M590 HydrophobicContact CB-CE 4.08Å; N585-M590 HydrophobicContact CB-SD 4.33Å; N585-M590 VanDerWaalsContact CG-CE 3.49Å; N585-M590 WeakPolarHBondContact ND2-CE 3.43Å; D586-M590 WeakPolarHBondContact O-CA 3.37Å; D586-M590 PolarHBondContact O-N 2.92Å; D586-M590 WeakPolarHBondContact OD1-CA 3.34Å; D586-M590 PolarHBondContact OD1-N 2.82Å; M590-K624 HydrophobicContact CG-CB 4.47Å | ||
| 591 | W | 90.5 | Very high | 89.4 | Confident | 50 Ų | 50 | 37 Ų | 37 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | trans | -75 | 129.1 | 175.4 | -77.4 | 2.7 | 0 | 0 | 0 | 111 | Y561 N585 D586 L589 H595 V596 D623 L632 | Y561-W591 HydrophobicContact CE2-CB 3.91Å; N585-W591 WeakPolarHBondContact CA-O 3.35Å; D586-W591 PolarHBondContact N-O 2.85Å; D586-W591 VanDerWaalsContact N-O 3.12Å; D586-W591 PolarHBondContact OD1-N 3.08Å; L589-W591 HydrophobicContact CB-CB 4.45Å; L589-W591 HydrophobicContact CB-CD2 4.02Å; L589-W591 HydrophobicContact CB-CG 3.79Å; L589-W591 HydrophobicContact CD1-CD2 3.81Å; L589-W591 HydrophobicContact CD1-CE3 4.04Å; L589-W591 HydrophobicContact CD1-CG 4.47Å; L589-W591 HydrophobicContact CD1-CH2 3.85Å; L589-W591 HydrophobicContact CD1-CZ2 3.62Å; L589-W591 HydrophobicContact CD1-CZ3 4.06Å; L589-W591 PolarHBondContact O-N 2.82Å; W591-H595 HydrophobicContact CB-CB 3.95Å; W591-H595 HydrophobicContact CD2-CB 4.41Å; W591-H595 HydrophobicContact CG-CB 3.88Å; W591-V596 HydrophobicContact CE3-CB 4.39Å; W591-V596 HydrophobicContact CE3-CG2 4.47Å; W591-D623 PolarHBondContact NE1-OD2 3.08Å; W591-L632 HydrophobicContact CZ2-CD1 4.24Å; W591-L632 HydrophobicContact CZ2-CD2 4.29Å | ||
| 592 | T | 90.8 | Very high | 89.7 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.031 | 20% | 0.199 | C | C | . | . | trans | -84.1 | 165.5 | 167 | 66.5 | 0 | 0 | 0 | 0 | 110.9 | C582 I594 H595 V596 V621 | C582-T592 WeakPolarHBondContact O-CB 3.42Å; T592-I594 PolarHBondContact O-N 3.29Å; T592-I594 VanDerWaalsContact O-N 3.08Å; T592-H595 PolarHBondContact N-ND1 3.25Å; T592-H595 WeakPolarHBondContact O-CB 3.33Å; T592-H595 PolarHBondContact O-N 3.46Å; T592-H595 PolarHBondContact OG1-ND1 3.41Å; T592-V596 PolarHBondContact O-N 3.42Å; T592-V621 HydrophobicContact CG2-CG1 4.07Å | ||
| 593 | P | 91.4 | Very high | 90 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -49.3 | -32.6 | 171.3 | -30.4 | 35.8 | 0 | 0 | 0 | 114 | L560 A564 L584 V596 A597 M609 | L560-P593 HydrophobicContact CB-CG 4.33Å; L560-P593 HydrophobicContact CD2-CB 4.21Å; L560-P593 HydrophobicContact CD2-CG 4.1Å; L560-P593 HydrophobicContact CG-CB 4.01Å; L560-P593 HydrophobicContact CG-CG 4.05Å; A564-P593 HydrophobicContact CB-CB 4.22Å; L584-P593 WeakPolarHBondContact O-CD 3.4Å; P593-V596 VanDerWaalsContact O-CG1 3.24Å; P593-V596 WeakPolarHBondContact O-CG1 3.49Å; P593-A597 WeakPolarHBondContact O-CB 3.06Å; P593-A597 PolarHBondContact O-N 2.95Å; P593-M609 HydrophobicContact CB-SD 3.57Å; P593-M609 VanDerWaalsContact CB-SD 3.57Å |
| 594 | I | 91.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -43.8 | 177.2 | -60.3 | 178 | 0 | 0 | 0 | 111.3 | C582 T592 V596 A597 A598 L606 M609 I610 L618 P629 | C582-I594 HydrophobicContact CB-CD1 4.35Å; T592-I594 PolarHBondContact O-N 3.29Å; T592-I594 VanDerWaalsContact O-N 3.08Å; I594-V596 VanDerWaalsContact C-N 3.34Å; I594-V596 PolarHBondContact O-N 3.05Å; I594-A597 PolarHBondContact O-N 3.25Å; I594-A598 VanDerWaalsContact O-CB 3.26Å; I594-A598 WeakPolarHBondContact O-CB 3.37Å; I594-A598 PolarHBondContact O-N 3.43Å; I594-L606 HydrophobicContact CB-CD1 4.43Å; I594-L606 HydrophobicContact CG2-CD1 3.57Å; I594-M609 HydrophobicContact CG1-CB 4.38Å; I594-I610 HydrophobicContact CD1-CG1 4.47Å; I594-L618 HydrophobicContact CD1-CB 3.76Å; I594-L618 HydrophobicContact CD1-CD2 3.99Å; I594-L618 HydrophobicContact CD1-CG 4.32Å; I594-P629 HydrophobicContact CG2-CB 3.94Å; I594-P629 HydrophobicContact CG2-CG 3.71Å |
| 595 | H | 92.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 177 | -71.7 | 89.5 | 0 | 0 | 0 | 111.3 | W591 T592 A598 A599 V621 Q627 L632 | W591-H595 HydrophobicContact CB-CB 3.95Å; W591-H595 HydrophobicContact CD2-CB 4.41Å; W591-H595 HydrophobicContact CG-CB 3.88Å; T592-H595 PolarHBondContact N-ND1 3.25Å; T592-H595 WeakPolarHBondContact O-CB 3.33Å; T592-H595 PolarHBondContact O-N 3.46Å; T592-H595 PolarHBondContact OG1-ND1 3.41Å; H595-A598 PolarHBondContact O-N 3.03Å; H595-A599 VanDerWaalsContact O-CB 3.29Å; H595-A599 WeakPolarHBondContact O-CB 3.39Å; H595-A599 PolarHBondContact O-N 3.36Å; H595-V621 PolarHBondContact NE2-O 3.01Å; H595-V621 VanDerWaalsContact NE2-O 3.16Å; H595-Q627 PolarHBondContact NE2-O 3.36Å; H595-L632 HydrophobicContact CB-CD1 3.8Å |
| 596 | V | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -72 | -36.8 | -177.8 | 72.2 | 0 | 0 | 0 | 0 | 111.9 | Y561 A564 Q565 W591 T592 P593 I594 N600 | Y561-V596 HydrophobicContact CD1-CG1 4.42Å; Y561-V596 HydrophobicContact CD2-CB 4.45Å; Y561-V596 HydrophobicContact CD2-CG1 3.9Å; Y561-V596 HydrophobicContact CE1-CB 4.46Å; Y561-V596 HydrophobicContact CE1-CG1 4.36Å; Y561-V596 HydrophobicContact CE1-CG2 4.19Å; Y561-V596 HydrophobicContact CE2-CB 3.92Å; Y561-V596 HydrophobicContact CE2-CG1 3.88Å; Y561-V596 HydrophobicContact CE2-CG2 4.45Å; Y561-V596 HydrophobicContact CG-CG1 4.18Å; A564-V596 HydrophobicContact CB-CG1 4.14Å; Q565-V596 HydrophobicContact CB-CG1 4.37Å; Q565-V596 HydrophobicContact CB-CG2 3.67Å; Q565-V596 HydrophobicContact CG-CG2 3.72Å; W591-V596 HydrophobicContact CE3-CB 4.39Å; W591-V596 HydrophobicContact CE3-CG2 4.47Å; T592-V596 PolarHBondContact O-N 3.42Å; P593-V596 VanDerWaalsContact O-CG1 3.24Å; P593-V596 WeakPolarHBondContact O-CG1 3.49Å; I594-V596 VanDerWaalsContact C-N 3.34Å; I594-V596 PolarHBondContact O-N 3.05Å; V596-N600 WeakPolarHBondContact CG2-ND2 3.3Å; V596-N600 WeakPolarHBondContact O-CB 3.22Å; V596-N600 PolarHBondContact O-N 2.91Å; V596-N600 VanDerWaalsContact O-N 3.12Å; V596-N600 PolarHBondContact O-ND2 3.26Å |
| 597 | A | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A564 P593 I594 N600 G601 H602 L606 M609 | A564-A597 HydrophobicContact CB-CB 4.3Å; P593-A597 WeakPolarHBondContact O-CB 3.06Å; P593-A597 PolarHBondContact O-N 2.95Å; I594-A597 PolarHBondContact O-N 3.25Å; A597-N600 PolarHBondContact O-N 3.49Å; A597-G601 PolarHBondContact O-N 3.4Å; A597-H602 HydrophobicContact CB-CB 4.44Å; A597-H602 PolarHBondContact O-N 3.01Å; A597-L606 HydrophobicContact CB-CB 4.41Å; A597-M609 HydrophobicContact CB-CE 3.49Å; A597-M609 VanDerWaalsContact CB-CE 3.49Å |
| 598 | A | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65 | -42.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I594 H595 N600 G601 P629 S633 H638 | I594-A598 VanDerWaalsContact O-CB 3.26Å; I594-A598 WeakPolarHBondContact O-CB 3.37Å; I594-A598 PolarHBondContact O-N 3.43Å; H595-A598 PolarHBondContact O-N 3.03Å; A598-N600 VanDerWaalsContact C-N 3.33Å; A598-N600 PolarHBondContact O-N 3.28Å; A598-G601 PolarHBondContact O-N 3.24Å; A598-P629 HydrophobicContact CB-CB 3.91Å; A598-P629 WeakPolarHBondContact CB-O 3.3Å; A598-S633 WeakPolarHBondContact O-CA 3.41Å; A598-H638 PolarHBondContact O-CD2 3.21Å |
| 599 | A | 93.2 | Very high | 91.7 | Very high | 23 Ų | 23 | 27.9 Ų | 27.9 | 19% | 0.19 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -64.1 | -34.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H595 L632 H638 | H595-A599 VanDerWaalsContact O-CB 3.29Å; H595-A599 WeakPolarHBondContact O-CB 3.39Å; H595-A599 PolarHBondContact O-N 3.36Å; A599-L632 HydrophobicContact CB-CB 4.09Å; A599-L632 HydrophobicContact CB-CD1 4.45Å; A599-H638 PolarHBondContact O-CD2 3.09Å; A599-H638 PolarHBondContact O-NE2 2.87Å |
| 600 | N | 93.6 | Very high | 91.8 | Very high | 73 Ų | 73 | 26.3 Ų | 26.3 | 39% | 0.39 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -93.4 | -5.6 | -179.5 | -68.2 | -70.3 | 0 | 0 | 0 | 114.2 | V596 A597 A598 H602 H638 | V596-N600 WeakPolarHBondContact CG2-ND2 3.3Å; V596-N600 WeakPolarHBondContact O-CB 3.22Å; V596-N600 PolarHBondContact O-N 2.91Å; V596-N600 VanDerWaalsContact O-N 3.12Å; V596-N600 PolarHBondContact O-ND2 3.26Å; A597-N600 PolarHBondContact O-N 3.49Å; A598-N600 VanDerWaalsContact C-N 3.33Å; A598-N600 PolarHBondContact O-N 3.28Å; N600-H602 VanDerWaalsContact CB-CD2 3.47Å; N600-H602 WeakPolarHBondContact CB-CD2 3.41Å; N600-H602 WeakPolarHBondContact CB-NE2 3.37Å; N600-H638 VanDerWaalsContact C-NE2 3.3Å |
| 601 | G | 93.6 | Very high | 91.8 | Very high | 21 Ų | 21 | 27 Ų | 27 | 22% | 0.216 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.7 | 20.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | A597 A598 S603 H638 | A597-G601 PolarHBondContact O-N 3.4Å; A598-G601 PolarHBondContact O-N 3.24Å; G601-S603 VanDerWaalsContact C-N 3.28Å; G601-S603 PolarHBondContact O-N 3.4Å; G601-H638 WeakPolarHBondContact CA-CD2 3.24Å; G601-H638 WeakPolarHBondContact CA-ND1 3.48Å; G601-H638 PolarHBondContact N-CD2 3.45Å; G601-H638 PolarHBondContact N-NE2 2.82Å |
| 602 | H | 95.3 | Very high | 91.4 | Very high | 51 Ų | 51 | 30.8 Ų | 30.8 | 24% | 0.236 | 16% | 0.157 | C | C | . | . | trans | -83 | 74.5 | -177.4 | -61.1 | -52.4 | 0 | 0 | 0 | 110.8 | A564 Q565 G567 A597 N600 D604 C605 L606 | A564-H602 PolarHBondContact O-CD2 2.77Å; Q565-H602 PolarHBondContact O-NE2 3.26Å; G567-H602 WeakPolarHBondContact CA-ND1 3.38Å; G567-H602 PolarHBondContact N-NE2 2.85Å; A597-H602 HydrophobicContact CB-CB 4.44Å; A597-H602 PolarHBondContact O-N 3.01Å; N600-H602 VanDerWaalsContact CB-CD2 3.47Å; N600-H602 WeakPolarHBondContact CB-CD2 3.41Å; N600-H602 WeakPolarHBondContact CB-NE2 3.37Å; H602-D604 VanDerWaalsContact C-N 3.34Å; H602-D604 PolarHBondContact O-N 3.34Å; H602-C605 HydrophobicContact CB-CB 4.03Å; H602-C605 PolarHBondContact O-N 2.99Å; H602-L606 WeakPolarHBondContact O-CB 3.43Å; H602-L606 PolarHBondContact O-N 2.94Å | ||
| 603 | S | 92.6 | Very high | 90.3 | Very high | 18 Ų | 18 | 31.8 Ų | 31.8 | 13% | 0.126 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.8 | -39.5 | -172.3 | 64.1 | 0 | 0 | 0 | 0 | 113.3 | G601 L606 R607 C641 | G601-S603 VanDerWaalsContact C-N 3.28Å; G601-S603 PolarHBondContact O-N 3.4Å; S603-L606 WeakPolarHBondContact O-CB 3.16Å; S603-L606 PolarHBondContact O-N 3.05Å; S603-R607 WeakPolarHBondContact O-CB 3.31Å; S603-R607 VanDerWaalsContact O-CG 3.24Å; S603-R607 WeakPolarHBondContact O-CG 3.38Å; S603-R607 PolarHBondContact O-N 2.7Å; S603-R607 PolarHBondContact OG-NH1 3.19Å; S603-C641 VanDerWaalsContact CA-SG 3.6Å |
| 604 | D | 92.5 | Very high | 88.7 | Confident | 95 Ų | 95 | 40.8 Ų | 40.8 | 51% | 0.508 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.7 | -41.6 | 177.8 | -64.6 | -24.9 | 0 | 0 | 0 | 112.8 | A569 H602 L606 R607 M608 | A569-D604 HydrophobicContact CB-CB 4.46Å; H602-D604 VanDerWaalsContact C-N 3.34Å; H602-D604 PolarHBondContact O-N 3.34Å; D604-L606 VanDerWaalsContact C-N 3.31Å; D604-L606 PolarHBondContact O-N 3.01Å; D604-R607 PolarHBondContact O-N 3.38Å; D604-R607 IonicContact OD1-NH1 2.74Å; D604-R607 PolarHBondContact OD1-NH1 3.25Å; D604-M608 WeakPolarHBondContact O-CE 3.06Å; D604-M608 WeakPolarHBondContact O-CG 3.41Å; D604-M608 PolarHBondContact O-N 3.22Å |
| 605 | C | 92.9 | Very high | 86.9 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.2 | -65 | 0 | 0 | 0 | 0 | 110.5 | G567 V572 H602 M608 M609 | G567-C605 VanDerWaalsContact C-SG 3.59Å; V572-C605 HydrophobicContact CG2-CB 4.25Å; H602-C605 HydrophobicContact CB-CB 4.03Å; H602-C605 PolarHBondContact O-N 2.99Å; C605-M608 PolarHBondContact O-N 3.16Å; C605-M609 HydrophobicContact CB-CE 4.24Å; C605-M609 WeakPolarHBondContact O-CB 3.25Å; C605-M609 VanDerWaalsContact O-CE 3.3Å; C605-M609 WeakPolarHBondContact O-CE 3.26Å; C605-M609 WeakPolarHBondContact O-CG 3.42Å; C605-M609 PolarHBondContact O-N 2.79Å |
| 606 | L | 91.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 177.1 | -174.9 | 67.1 | 0 | 0 | 0 | 112 | I594 A597 H602 S603 D604 M609 I610 C641 F644 L645 | I594-L606 HydrophobicContact CB-CD1 4.43Å; I594-L606 HydrophobicContact CG2-CD1 3.57Å; A597-L606 HydrophobicContact CB-CB 4.41Å; H602-L606 WeakPolarHBondContact O-CB 3.43Å; H602-L606 PolarHBondContact O-N 2.94Å; S603-L606 WeakPolarHBondContact O-CB 3.16Å; S603-L606 PolarHBondContact O-N 3.05Å; D604-L606 VanDerWaalsContact C-N 3.31Å; D604-L606 PolarHBondContact O-N 3.01Å; L606-M609 PolarHBondContact O-N 3.44Å; L606-I610 HydrophobicContact CD1-CD1 3.92Å; L606-I610 HydrophobicContact CG-CD1 4.07Å; L606-I610 WeakPolarHBondContact O-CG1 3.38Å; L606-I610 PolarHBondContact O-N 2.98Å; L606-I610 VanDerWaalsContact O-N 3.08Å; L606-C641 HydrophobicContact CD2-CB 3.93Å; L606-F644 HydrophobicContact CD2-CD1 4.31Å; L606-F644 HydrophobicContact CG-CD1 4.34Å; L606-L645 HydrophobicContact CD1-CD2 4.49Å; L606-L645 HydrophobicContact CD2-CD1 4.13Å; L606-L645 HydrophobicContact CD2-CD2 4.18Å; L606-L645 HydrophobicContact CD2-CG 3.97Å |
| 607 | R | 91.3 | Very high | 84.1 | Confident | 74 Ų | 74 | 56.6 Ų | 56.6 | 28% | 0.279 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.6 | -53.1 | 176 | -74.9 | 174.9 | -170.4 | 112.9 | 6.4 | 111.4 | S603 D604 M609 I610 D611 F644 | S603-R607 WeakPolarHBondContact O-CB 3.31Å; S603-R607 VanDerWaalsContact O-CG 3.24Å; S603-R607 WeakPolarHBondContact O-CG 3.38Å; S603-R607 PolarHBondContact O-N 2.7Å; S603-R607 PolarHBondContact OG-NH1 3.19Å; D604-R607 PolarHBondContact O-N 3.38Å; D604-R607 IonicContact OD1-NH1 2.74Å; D604-R607 PolarHBondContact OD1-NH1 3.25Å; R607-M609 PolarHBondContact O-N 2.99Å; R607-I610 PolarHBondContact O-N 3.43Å; R607-D611 WeakPolarHBondContact O-CB 3.42Å; R607-D611 PolarHBondContact O-N 3.33Å; R607-F644 HydrophobicContact CB-CE1 4.21Å; R607-F644 HydrophobicContact CB-CE2 4.39Å; R607-F644 HydrophobicContact CB-CZ 4.01Å; R607-F644 HydrophobicContact CG-CD1 3.9Å; R607-F644 HydrophobicContact CG-CD2 3.79Å; R607-F644 HydrophobicContact CG-CE1 3.77Å; R607-F644 HydrophobicContact CG-CE2 3.66Å; R607-F644 HydrophobicContact CG-CG 3.9Å; R607-F644 HydrophobicContact CG-CZ 3.65Å |
| 608 | M | 89.4 | Confident | 83.4 | Confident | 38 Ų | 38 | 57.1 Ų | 57.1 | 19% | 0.187 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.4 | -44.9 | 179.9 | -68.5 | -177.8 | -64.4 | 0 | 0 | 112.2 | A569 V572 E573 L576 D604 C605 I610 D611 Y612 | A569-M608 HydrophobicContact CB-CE 3.66Å; A569-M608 VanDerWaalsContact O-CE 3.3Å; A569-M608 WeakPolarHBondContact O-CE 3.48Å; V572-M608 HydrophobicContact CB-CE 4.13Å; V572-M608 HydrophobicContact CG1-CB 4.44Å; V572-M608 HydrophobicContact CG1-CE 4.01Å; E573-M608 HydrophobicContact CB-SD 4.12Å; L576-M608 HydrophobicContact CD1-CB 3.98Å; D604-M608 WeakPolarHBondContact O-CE 3.06Å; D604-M608 WeakPolarHBondContact O-CG 3.41Å; D604-M608 PolarHBondContact O-N 3.22Å; C605-M608 PolarHBondContact O-N 3.16Å; M608-I610 VanDerWaalsContact C-N 3.32Å; M608-I610 PolarHBondContact O-N 3.25Å; M608-D611 PolarHBondContact O-N 2.81Å; M608-Y612 WeakPolarHBondContact O-CB 3.43Å; M608-Y612 VanDerWaalsContact O-CD2 3.3Å; M608-Y612 WeakPolarHBondContact O-CD2 3.3Å; M608-Y612 PolarHBondContact O-N 3.5Å |
| 609 | M | 90.3 | Very high | 82.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.1 | -35.2 | 179.9 | -73.1 | -175.8 | -69.8 | 0 | 0 | 113.2 | L560 A564 V572 L576 P593 I594 A597 C605 L606 R607 G613 | L560-M609 HydrophobicContact CD1-SD 4.34Å; L560-M609 HydrophobicContact CD2-SD 4.28Å; L560-M609 HydrophobicContact CG-SD 4.28Å; A564-M609 HydrophobicContact CB-CE 3.96Å; A564-M609 HydrophobicContact CB-SD 4.21Å; V572-M609 HydrophobicContact CG1-CG 3.97Å; L576-M609 HydrophobicContact CD1-CG 4.06Å; L576-M609 HydrophobicContact CD2-CG 4.42Å; P593-M609 HydrophobicContact CB-SD 3.57Å; P593-M609 VanDerWaalsContact CB-SD 3.57Å; I594-M609 HydrophobicContact CG1-CB 4.38Å; A597-M609 HydrophobicContact CB-CE 3.49Å; A597-M609 VanDerWaalsContact CB-CE 3.49Å; C605-M609 HydrophobicContact CB-CE 4.24Å; C605-M609 WeakPolarHBondContact O-CB 3.25Å; C605-M609 VanDerWaalsContact O-CE 3.3Å; C605-M609 WeakPolarHBondContact O-CE 3.26Å; C605-M609 WeakPolarHBondContact O-CG 3.42Å; C605-M609 PolarHBondContact O-N 2.79Å; L606-M609 PolarHBondContact O-N 3.44Å; R607-M609 PolarHBondContact O-N 2.99Å; M609-G613 PolarHBondContact O-N 3.24Å |
| 610 | I | 87.8 | Confident | 82.5 | Confident | 20 Ų | 20 | 58.9 Ų | 58.9 | 10% | 0.103 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -78.3 | -36.7 | 178.4 | -70.9 | 175.3 | 0 | 0 | 0 | 111.4 | I594 L606 R607 M608 I619 F644 L645 K648 | I594-I610 HydrophobicContact CD1-CG1 4.47Å; L606-I610 HydrophobicContact CD1-CD1 3.92Å; L606-I610 HydrophobicContact CG-CD1 4.07Å; L606-I610 WeakPolarHBondContact O-CG1 3.38Å; L606-I610 PolarHBondContact O-N 2.98Å; L606-I610 VanDerWaalsContact O-N 3.08Å; R607-I610 PolarHBondContact O-N 3.43Å; M608-I610 VanDerWaalsContact C-N 3.32Å; M608-I610 PolarHBondContact O-N 3.25Å; I610-I619 HydrophobicContact CD1-CG1 4.41Å; I610-F644 HydrophobicContact CB-CE1 4.09Å; I610-F644 HydrophobicContact CB-CZ 4.34Å; I610-F644 HydrophobicContact CD1-CD1 4.45Å; I610-F644 HydrophobicContact CD1-CE1 3.83Å; I610-F644 HydrophobicContact CG1-CE1 4.46Å; I610-F644 HydrophobicContact CG2-CE1 4.29Å; I610-F644 HydrophobicContact CG2-CZ 4.29Å; I610-L645 HydrophobicContact CD1-CD2 3.64Å; I610-K648 HydrophobicContact CG2-CD 4.3Å; I610-K648 HydrophobicContact CG2-CG 4.27Å |
| 611 | D | 85.9 | Confident | 82.2 | Confident | 96 Ų | 96 | 57.2 Ų | 57.2 | 51% | 0.513 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -74.1 | -30.8 | 179.5 | -70.5 | -25.7 | 0 | 0 | 0 | 112.7 | R607 M608 K648 | R607-D611 WeakPolarHBondContact O-CB 3.42Å; R607-D611 PolarHBondContact O-N 3.33Å; M608-D611 PolarHBondContact O-N 2.81Å; D611-K648 IonicContact OD1-NZ 3.04Å; D611-K648 PolarHBondContact OD1-NZ 2.9Å |
| 612 | Y | 81.3 | Confident | 81.9 | Confident | 130 Ų | 130 | 60 Ų | 60 | 51% | 0.51 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -88.1 | -16.9 | 176.8 | -84.4 | -97.2 | 0 | 0 | 0 | 114.4 | L576 M608 E614 | L576-Y612 HydrophobicContact CB-CD1 4.36Å; L576-Y612 HydrophobicContact CB-CG 4.29Å; L576-Y612 HydrophobicContact CD1-CD2 4.33Å; L576-Y612 HydrophobicContact CD1-CG 4.36Å; M608-Y612 WeakPolarHBondContact O-CB 3.43Å; M608-Y612 VanDerWaalsContact O-CD2 3.3Å; M608-Y612 WeakPolarHBondContact O-CD2 3.3Å; M608-Y612 PolarHBondContact O-N 3.5Å; Y612-E614 PolarHBondContact O-N 3.46Å; Y612-E614 VanDerWaalsContact O-N 3.11Å |
| 613 | G | 69.3 | Low | 81.7 | Confident | 27 Ų | 27 | 58 Ų | 58 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | trans | -76.1 | 96.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M609 E615 | M609-G613 PolarHBondContact O-N 3.24Å; G613-E615 VanDerWaalsContact C-N 3.33Å; G613-E615 PolarHBondContact O-N 3.41Å | ||
| 614 | E | 56.5 | Low | 81.5 | Confident | 189 Ų | 189 | 62.7 Ų | 62.7 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | trans | -81 | -3.6 | -177.9 | -68.4 | -167.3 | 157.1 | 0 | 0 | 114.7 | Y612 | Y612-E614 PolarHBondContact O-N 3.46Å; Y612-E614 VanDerWaalsContact O-N 3.11Å | ||
| 615 | E | 53.6 | Low | 81.3 | Confident | 162 Ų | 162 | 63 Ų | 63 | 76% | 0.757 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -135.2 | 110.9 | -173.2 | -63.4 | -170.7 | 163.6 | 0 | 0 | 113.7 | G613 | G613-E615 VanDerWaalsContact C-N 3.33Å; G613-E615 PolarHBondContact O-N 3.41Å |
| 616 | G | 58.8 | Low | 81.1 | Confident | 67 Ų | 67 | 63.5 Ų | 63.5 | 69% | 0.691 | 33% | 0.332 | S | S | * | . | S | Bend | trans | 104.8 | 165.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L618 | G616-L618 PolarHBondContact O-N 2.92Š|
| 617 | D | 69.1 | Low | 81.1 | Confident | 103 Ų | 103 | 64.7 Ų | 64.7 | 55% | 0.551 | 34% | 0.337 | S | S | * | . | trans | -74.4 | 68.8 | 173.4 | -172.3 | 3.4 | 0 | 0 | 0 | 110.5 | I619 N620 V621 | D617-I619 PolarHBondContact O-N 2.94Å; D617-N620 PolarHBondContact OD1-N 2.96Å; D617-N620 PolarHBondContact OD1-ND2 3.33Å; D617-N620 PolarHBondContact OD2-ND2 2.97Å; D617-V621 WeakPolarHBondContact O-CG2 2.98Å | ||
| 618 | L | 78.8 | Confident | 81.1 | Confident | 10 Ų | 10 | 61.3 Ų | 61.3 | 5% | 0.052 | 33% | 0.325 | C | S | . | . | trans | -63.8 | -22.1 | -179.3 | -73.2 | 170.3 | 0 | 0 | 0 | 113.1 | C582 L583 I594 G616 | C582-L618 HydrophobicContact CB-CD2 4.09Å; L583-L618 HydrophobicContact CD2-CD2 3.36Å; L583-L618 HydrophobicContact CG-CD2 3.91Å; I594-L618 HydrophobicContact CD1-CB 3.76Å; I594-L618 HydrophobicContact CD1-CD2 3.99Å; I594-L618 HydrophobicContact CD1-CG 4.32Å; G616-L618 PolarHBondContact O-N 2.92Å | ||
| 619 | I | 82.5 | Confident | 81.2 | Confident | 31 Ų | 31 | 59.5 Ų | 59.5 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -79.4 | -35.4 | -172.8 | -63.9 | 150.2 | 0 | 0 | 0 | 111 | I610 D617 L645 K648 A650 | I610-I619 HydrophobicContact CD1-CG1 4.41Å; D617-I619 PolarHBondContact O-N 2.94Å; I619-L645 HydrophobicContact CG2-CD2 4.43Å; I619-K648 HydrophobicContact CD1-CB 4.09Å; I619-K648 VanDerWaalsContact CD1-O 3.28Å; I619-K648 WeakPolarHBondContact CD1-O 3.08Å; I619-A650 HydrophobicContact CG2-CB 3.51Å |
| 620 | N | 85.3 | Confident | 81.4 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | S | Bend | trans | -108.6 | 20.6 | -177.4 | -55.6 | -66.2 | 0 | 0 | 0 | 113.6 | D617 T622 L651 | D617-N620 PolarHBondContact OD1-N 2.96Å; D617-N620 PolarHBondContact OD1-ND2 3.33Å; D617-N620 PolarHBondContact OD2-ND2 2.97Å; N620-T622 PolarHBondContact O-N 3.21Å; N620-L651 PolarHBondContact OD1-N 2.8Å; N620-L651 VanDerWaalsContact OD1-N 3.14Å |
| 621 | V | 87.4 | Confident | 81.7 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | trans | -57.2 | 141.4 | 172.4 | -172.8 | 0 | 0 | 0 | 0 | 108.9 | T592 H595 D617 P629 | T592-V621 HydrophobicContact CG2-CG1 4.07Å; H595-V621 PolarHBondContact NE2-O 3.01Å; H595-V621 VanDerWaalsContact NE2-O 3.16Å; D617-V621 WeakPolarHBondContact O-CG2 2.98Å; V621-P629 VanDerWaalsContact O-CD 3.25Å; V621-P629 WeakPolarHBondContact O-CD 3.33Å | ||
| 622 | T | 88.6 | Confident | 82 | Confident | 80 Ų | 80 | 54.2 Ų | 54.2 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | trans | -114.3 | 141.2 | -178.7 | 53.9 | 0 | 0 | 0 | 0 | 111.5 | N620 Q627 T628 | N620-T622 PolarHBondContact O-N 3.21Å; T622-Q627 WeakPolarHBondContact CA-O 3.29Å; T622-T628 HydrophobicContact CG2-CG2 4.08Å | ||
| 623 | D | 89.9 | Confident | 82.6 | Confident | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.053 | 26% | 0.264 | C | S | . | . | trans | -78.3 | -176.1 | 173.5 | 79.8 | -4.5 | 0 | 0 | 0 | 112.7 | W591 F625 G626 Q627 | W591-D623 PolarHBondContact NE1-OD2 3.08Å; D623-F625 PolarHBondContact O-N 3.38Å; D623-F625 VanDerWaalsContact OD1-CA 3.26Å; D623-F625 WeakPolarHBondContact OD1-CA 3.45Å; D623-F625 WeakPolarHBondContact OD1-CB 3.32Å; D623-F625 PolarHBondContact OD1-N 3.24Å; D623-G626 PolarHBondContact O-N 3.01Å; D623-G626 PolarHBondContact OD1-N 2.87Å; D623-Q627 PolarHBondContact N-O 2.99Å; D623-Q627 WeakPolarHBondContact OD1-CB 3.39Å; D623-Q627 PolarHBondContact OD1-N 3.44Å | ||
| 624 | K | 89.6 | Confident | 83.8 | Confident | 116 Ų | 116 | 46.8 Ų | 46.8 | 50% | 0.504 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -26.7 | 175.6 | -176.8 | 176.2 | -177.2 | 174.1 | 0 | 114 | L589 M590 K657 | L589-K624 VanDerWaalsContact O-CB 3.31Å; L589-K624 WeakPolarHBondContact O-CB 3.42Å; L589-K624 PolarHBondContact O-N 3.16Å; M590-K624 HydrophobicContact CG-CB 4.47Å; K624-K657 VanDerWaalsContact O-CE 3.25Å; K624-K657 WeakPolarHBondContact O-CE 3.44Å; K624-K657 PolarHBondContact O-NZ 3.27Å |
| 625 | F | 87.3 | Confident | 85.5 | Confident | 102 Ų | 102 | 41.5 Ų | 41.5 | 45% | 0.447 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.2 | 179.4 | -59.7 | -71.2 | 0 | 0 | 0 | 113.4 | L589 D623 Q627 K657 | L589-F625 HydrophobicContact CD2-CE2 3.87Å; D623-F625 PolarHBondContact O-N 3.38Å; D623-F625 VanDerWaalsContact OD1-CA 3.26Å; D623-F625 WeakPolarHBondContact OD1-CA 3.45Å; D623-F625 WeakPolarHBondContact OD1-CB 3.32Å; D623-F625 PolarHBondContact OD1-N 3.24Å; F625-Q627 HydrophobicContact CB-CG 4.07Å; F625-K657 WeakPolarHBondContact O-CB 3.38Å; F625-K657 VanDerWaalsContact O-CG 3.31Å; F625-K657 WeakPolarHBondContact O-CG 3.42Å; F625-K657 PolarHBondContact O-N 3.13Å |
| 626 | G | 89 | Confident | 87.2 | Confident | 12 Ų | 12 | 35.4 Ų | 35.4 | 12% | 0.124 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 80.5 | 16.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D623 D656 | D623-G626 PolarHBondContact O-N 3.01Å; D623-G626 PolarHBondContact OD1-N 2.87Å; G626-D656 WeakPolarHBondContact O-CA 3.44Å |
| 627 | Q | 91.2 | Very high | 88.8 | Confident | 24 Ų | 24 | 33.3 Ų | 33.3 | 11% | 0.112 | 19% | 0.187 | C | C | . | . | trans | -85.1 | 135.7 | -178.8 | -55.9 | 179 | 33.6 | 0 | 0 | 110.3 | H595 T622 D623 F625 M631 D656 | H595-Q627 PolarHBondContact NE2-O 3.36Å; T622-Q627 WeakPolarHBondContact CA-O 3.29Å; D623-Q627 PolarHBondContact N-O 2.99Å; D623-Q627 WeakPolarHBondContact OD1-CB 3.39Å; D623-Q627 PolarHBondContact OD1-N 3.44Å; F625-Q627 HydrophobicContact CB-CG 4.07Å; Q627-M631 HydrophobicContact CB-CB 4.42Å; Q627-M631 HydrophobicContact CB-SD 4.23Å; Q627-M631 HydrophobicContact CG-SD 4.5Å; Q627-D656 HydrophobicContact CG-CB 4.22Å | ||
| 628 | T | 92.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 30.9 Ų | 30.9 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | trans | -89.2 | 161.2 | 173.5 | 62.5 | 0 | 0 | 0 | 0 | 111.1 | T622 L630 M631 L632 A654 | T622-T628 HydrophobicContact CG2-CG2 4.08Å; T628-L630 PolarHBondContact O-N 3.49Å; T628-M631 HydrophobicContact CG2-CE 4.44Å; T628-M631 WeakPolarHBondContact O-CB 3.26Å; T628-M631 PolarHBondContact O-N 3.48Å; T628-M631 WeakPolarHBondContact OG1-CG 3.4Å; T628-M631 PolarHBondContact OG1-N 3.01Å; T628-L632 PolarHBondContact O-N 3.38Å; T628-A654 HydrophobicContact CG2-CB 4.16Å | ||
| 629 | P | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.3 | -36.4 | 171.9 | -28.4 | 34.4 | 0 | 0 | 0 | 113.1 | I594 A598 V621 M631 L632 S633 L645 | I594-P629 HydrophobicContact CG2-CB 3.94Å; I594-P629 HydrophobicContact CG2-CG 3.71Å; A598-P629 HydrophobicContact CB-CB 3.91Å; A598-P629 WeakPolarHBondContact CB-O 3.3Å; V621-P629 VanDerWaalsContact O-CD 3.25Å; V621-P629 WeakPolarHBondContact O-CD 3.33Å; P629-M631 PolarHBondContact O-N 3.42Å; P629-L632 PolarHBondContact O-N 2.98Å; P629-S633 PolarHBondContact O-N 3.46Å; P629-S633 PolarHBondContact O-OG 2.92Å; P629-L645 HydrophobicContact CB-CD1 4.22Å |
| 630 | L | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 175 | -179.3 | 65.6 | 0 | 0 | 0 | 112.4 | T628 L632 S633 V634 V642 L645 L646 A650 P652 A662 L678 | T628-L630 PolarHBondContact O-N 3.49Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 3.47Å; L630-S633 WeakPolarHBondContact CA-OG 3.3Å; L630-S633 PolarHBondContact O-OG 3.04Å; L630-V634 VanDerWaalsContact O-CG2 3.28Å; L630-V634 WeakPolarHBondContact O-CG2 3.43Å; L630-V634 PolarHBondContact O-N 3.37Å; L630-V634 VanDerWaalsContact O-N 3.15Å; L630-V642 HydrophobicContact CD1-CB 4.46Å; L630-V642 HydrophobicContact CD1-CG1 4.08Å; L630-V642 HydrophobicContact CD1-CG2 4.43Å; L630-L645 HydrophobicContact CB-CD1 4.29Å; L630-L645 HydrophobicContact CD1-CB 4.18Å; L630-L645 HydrophobicContact CD1-CD1 4.46Å; L630-L646 HydrophobicContact CD1-CD2 4.29Å; L630-L646 HydrophobicContact CD1-CG 4.15Å; L630-L646 HydrophobicContact CD2-CD2 3.9Å; L630-A650 HydrophobicContact CB-CB 4.43Å; L630-A650 HydrophobicContact CD2-CB 4.06Å; L630-P652 HydrophobicContact CD2-CB 4.48Å; L630-A662 HydrophobicContact CD2-CB 4.43Å; L630-A662 HydrophobicContact CG-CB 4.24Å; L630-L678 HydrophobicContact CD1-CD2 4.42Å; L630-L678 HydrophobicContact CD2-CD2 4.23Å |
| 631 | M | 93.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -36.3 | 176 | -67.2 | 179.5 | -166.9 | 0 | 0 | 112 | Q627 T628 P629 L635 A654 D656 A662 | Q627-M631 HydrophobicContact CB-CB 4.42Å; Q627-M631 HydrophobicContact CB-SD 4.23Å; Q627-M631 HydrophobicContact CG-SD 4.5Å; T628-M631 HydrophobicContact CG2-CE 4.44Å; T628-M631 WeakPolarHBondContact O-CB 3.26Å; T628-M631 PolarHBondContact O-N 3.48Å; T628-M631 WeakPolarHBondContact OG1-CG 3.4Å; T628-M631 PolarHBondContact OG1-N 3.01Å; P629-M631 PolarHBondContact O-N 3.42Å; M631-L635 WeakPolarHBondContact O-CB 3.49Å; M631-L635 PolarHBondContact O-N 3.23Å; M631-A654 VanDerWaalsContact CE-C 3.41Å; M631-A654 HydrophobicContact CE-CB 3.95Å; M631-A654 WeakPolarHBondContact CE-O 3.46Å; M631-D656 HydrophobicContact SD-CB 4.16Å; M631-A662 HydrophobicContact CG-CB 4.22Å |
| 632 | L | 92.9 | Very high | 91.9 | Very high | 3 Ų | 3 | 32.3 Ų | 32.3 | 2% | 0.016 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -73.9 | -37.8 | 179 | -66.5 | 179.8 | 0 | 0 | 0 | 112.2 | W591 H595 A599 T628 P629 L630 L635 G636 | W591-L632 HydrophobicContact CZ2-CD1 4.24Å; W591-L632 HydrophobicContact CZ2-CD2 4.29Å; H595-L632 HydrophobicContact CB-CD1 3.8Å; A599-L632 HydrophobicContact CB-CB 4.09Å; A599-L632 HydrophobicContact CB-CD1 4.45Å; T628-L632 PolarHBondContact O-N 3.38Å; P629-L632 PolarHBondContact O-N 2.98Å; L630-L632 VanDerWaalsContact C-N 3.31Å; L630-L632 PolarHBondContact O-N 3.47Å; L632-L635 WeakPolarHBondContact O-CB 3.32Å; L632-L635 PolarHBondContact O-N 3.34Å; L632-G636 PolarHBondContact O-N 3.11Å |
| 633 | S | 94.5 | Very high | 92 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | 174.8 | 60.6 | 0 | 0 | 0 | 0 | 111.8 | A598 P629 L630 L635 G636 G637 H638 V642 | A598-S633 WeakPolarHBondContact O-CA 3.41Å; P629-S633 PolarHBondContact O-N 3.46Å; P629-S633 PolarHBondContact O-OG 2.92Å; L630-S633 WeakPolarHBondContact CA-OG 3.3Å; L630-S633 PolarHBondContact O-OG 3.04Å; S633-L635 VanDerWaalsContact C-N 3.35Å; S633-G636 CarbonylContact O-C 3.56Å; S633-G636 PolarHBondContact O-N 2.91Å; S633-G637 PolarHBondContact O-N 3.23Å; S633-H638 PolarHBondContact O-N 2.98Å; S633-V642 WeakPolarHBondContact OG-CG2 3.45Å |
| 634 | V | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 172.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L630 G636 G637 V642 A662 R665 H671 C674 L678 | L630-V634 VanDerWaalsContact O-CG2 3.28Å; L630-V634 WeakPolarHBondContact O-CG2 3.43Å; L630-V634 PolarHBondContact O-N 3.37Å; L630-V634 VanDerWaalsContact O-N 3.15Å; V634-G636 VanDerWaalsContact C-N 3.26Å; V634-G636 PolarHBondContact O-N 3.5Å; V634-G637 PolarHBondContact O-N 3.1Å; V634-V642 HydrophobicContact CG2-CG1 4.39Å; V634-V642 HydrophobicContact CG2-CG2 3.54Å; V634-A662 WeakPolarHBondContact CG1-O 3.45Å; V634-A662 HydrophobicContact CG2-CB 4.22Å; V634-R665 HydrophobicContact CG1-CB 4.45Å; V634-H671 PolarHBondContact O-CD2 3.05Å; V634-C674 HydrophobicContact CG1-CB 4.28Å; V634-C674 HydrophobicContact CG2-CB 4.42Å; V634-L678 HydrophobicContact CG1-CD1 4.46Å; V634-L678 HydrophobicContact CG2-CD1 4.02Å |
| 635 | L | 91.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 26.9 Ų | 26.9 | 41% | 0.408 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -60 | -39.4 | 174.3 | -167.4 | 79.4 | 0 | 0 | 0 | 111.5 | M631 L632 S633 G637 L669 H671 | M631-L635 WeakPolarHBondContact O-CB 3.49Å; M631-L635 PolarHBondContact O-N 3.23Å; L632-L635 WeakPolarHBondContact O-CB 3.32Å; L632-L635 PolarHBondContact O-N 3.34Å; S633-L635 VanDerWaalsContact C-N 3.35Å; L635-G637 VanDerWaalsContact C-N 3.35Å; L635-L669 HydrophobicContact CD1-CD1 3.69Å; L635-L669 HydrophobicContact CG-CD1 4.07Å; L635-L669 WeakPolarHBondContact O-CD1 3.49Å; L635-H671 PolarHBondContact O-NE2 2.82Å |
| 636 | G | 89.2 | Confident | 92.3 | Very high | 34 Ų | 34 | 22.5 Ų | 22.5 | 35% | 0.351 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -78 | -12.2 | 177 | 0 | 0 | 0 | 0 | 0 | 115.3 | L632 S633 V634 H638 | L632-G636 PolarHBondContact O-N 3.11Å; S633-G636 CarbonylContact O-C 3.56Å; S633-G636 PolarHBondContact O-N 2.91Å; V634-G636 VanDerWaalsContact C-N 3.26Å; V634-G636 PolarHBondContact O-N 3.5Å; G636-H638 PolarHBondContact O-CE1 3.03Å |
| 637 | G | 93.4 | Very high | 92.2 | Very high | 23 Ų | 23 | 28.3 Ų | 28.3 | 24% | 0.237 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 23.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | S633 V634 L635 T639 H671 | S633-G637 PolarHBondContact O-N 3.23Å; V634-G637 PolarHBondContact O-N 3.1Å; L635-G637 VanDerWaalsContact C-N 3.35Å; G637-T639 PolarHBondContact O-N 2.8Å; G637-H671 PolarHBondContact N-NE2 3.42Å |
| 638 | H | 94.9 | Very high | 92 | Very high | 53 Ų | 53 | 30.9 Ų | 30.9 | 25% | 0.245 | 17% | 0.167 | C | C | . | . | trans | -91.1 | 85.6 | -171.8 | -56.5 | -56.6 | 0 | 0 | 0 | 111.7 | A598 A599 N600 G601 S633 G636 D640 C641 V642 | A598-H638 PolarHBondContact O-CD2 3.21Å; A599-H638 PolarHBondContact O-CD2 3.09Å; A599-H638 PolarHBondContact O-NE2 2.87Å; N600-H638 VanDerWaalsContact C-NE2 3.3Å; G601-H638 WeakPolarHBondContact CA-CD2 3.24Å; G601-H638 WeakPolarHBondContact CA-ND1 3.48Å; G601-H638 PolarHBondContact N-CD2 3.45Å; G601-H638 PolarHBondContact N-NE2 2.82Å; S633-H638 PolarHBondContact O-N 2.98Å; G636-H638 PolarHBondContact O-CE1 3.03Å; H638-D640 PolarHBondContact O-N 3.5Å; H638-C641 HydrophobicContact CB-CB 4.07Å; H638-C641 PolarHBondContact O-N 3Å; H638-V642 WeakPolarHBondContact O-CG2 3.44Å; H638-V642 PolarHBondContact O-N 2.83Å; H638-V642 VanDerWaalsContact O-N 3.07Å | ||
| 639 | T | 92.9 | Very high | 91.6 | Very high | 41 Ų | 41 | 35.2 Ų | 35.2 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.2 | -45.4 | -175.4 | 53.4 | 0 | 0 | 0 | 0 | 113.7 | G637 C641 V642 H643 D673 | G637-T639 PolarHBondContact O-N 2.8Å; T639-C641 VanDerWaalsContact C-N 3.33Å; T639-C641 PolarHBondContact O-N 3.42Å; T639-V642 WeakPolarHBondContact O-CB 3.3Å; T639-V642 PolarHBondContact O-N 2.92Å; T639-V642 VanDerWaalsContact O-N 3.1Å; T639-H643 PolarHBondContact O-CD2 3.39Å; T639-H643 VanDerWaalsContact O-CD2 3.32Å; T639-H643 PolarHBondContact O-N 3.27Å; T639-D673 HydrophobicContact CG2-CB 3.36Å |
| 640 | D | 92.4 | Very high | 91.4 | Very high | 95 Ų | 95 | 35.5 Ų | 35.5 | 51% | 0.508 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 179.7 | -68.3 | -20.4 | 0 | 0 | 0 | 112.6 | H638 F644 | H638-D640 PolarHBondContact O-N 3.5Å; D640-F644 WeakPolarHBondContact O-CB 3.39Å; D640-F644 PolarHBondContact O-N 3.04Å; D640-F644 VanDerWaalsContact O-N 3.07Å |
| 641 | C | 93.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 175.4 | -69.6 | 0 | 0 | 0 | 0 | 111.1 | S603 L606 H638 T639 L645 | S603-C641 VanDerWaalsContact CA-SG 3.6Å; L606-C641 HydrophobicContact CD2-CB 3.93Å; H638-C641 HydrophobicContact CB-CB 4.07Å; H638-C641 PolarHBondContact O-N 3Å; T639-C641 VanDerWaalsContact C-N 3.33Å; T639-C641 PolarHBondContact O-N 3.42Å; C641-L645 WeakPolarHBondContact O-CB 3.47Å; C641-L645 WeakPolarHBondContact O-CD1 3.42Å; C641-L645 WeakPolarHBondContact O-CG 3.31Å; C641-L645 PolarHBondContact O-N 3.06Å |
| 642 | V | 93 | Very high | 90.8 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.9 | -50.6 | 177.2 | 172.8 | 0 | 0 | 0 | 0 | 110.7 | L630 S633 V634 H638 T639 F644 L645 L646 A677 L678 | L630-V642 HydrophobicContact CD1-CB 4.46Å; L630-V642 HydrophobicContact CD1-CG1 4.08Å; L630-V642 HydrophobicContact CD1-CG2 4.43Å; S633-V642 WeakPolarHBondContact OG-CG2 3.45Å; V634-V642 HydrophobicContact CG2-CG1 4.39Å; V634-V642 HydrophobicContact CG2-CG2 3.54Å; H638-V642 WeakPolarHBondContact O-CG2 3.44Å; H638-V642 PolarHBondContact O-N 2.83Å; H638-V642 VanDerWaalsContact O-N 3.07Å; T639-V642 WeakPolarHBondContact O-CB 3.3Å; T639-V642 PolarHBondContact O-N 2.92Å; T639-V642 VanDerWaalsContact O-N 3.1Å; V642-F644 PolarHBondContact O-N 2.94Å; V642-L645 PolarHBondContact O-N 3.37Å; V642-L646 HydrophobicContact CG1-CD1 3.68Å; V642-L646 HydrophobicContact CG1-CG 4.42Å; V642-L646 WeakPolarHBondContact O-CB 3.38Å; V642-L646 VanDerWaalsContact O-CG 3.23Å; V642-L646 WeakPolarHBondContact O-CG 3.45Å; V642-L646 PolarHBondContact O-N 3.07Å; V642-A677 HydrophobicContact CG1-CB 4.04Å; V642-L678 HydrophobicContact CG1-CG 4.5Å |
| 643 | H | 91.9 | Very high | 90.6 | Very high | 77 Ų | 77 | 44.4 Ų | 44.4 | 36% | 0.356 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.2 | -49.4 | 176.8 | -81.7 | -67.4 | 0 | 0 | 0 | 111.7 | T639 L645 L646 E647 A677 | T639-H643 PolarHBondContact O-CD2 3.39Å; T639-H643 VanDerWaalsContact O-CD2 3.32Å; T639-H643 PolarHBondContact O-N 3.27Å; H643-L645 PolarHBondContact O-N 3.38Å; H643-L646 PolarHBondContact O-N 2.9Å; H643-E647 WeakPolarHBondContact O-CG 3.36Å; H643-E647 PolarHBondContact O-N 3.47Å; H643-A677 VanDerWaalsContact CE1-CB 3.46Å; H643-A677 WeakPolarHBondContact CE1-CB 3.16Å |
| 644 | F | 91 | Very high | 90.3 | Very high | 16 Ų | 16 | 45.5 Ų | 45.5 | 7% | 0.07 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -43.9 | -179.2 | 179.2 | -108.6 | 0 | 0 | 0 | 112.9 | L606 R607 I610 D640 V642 L646 E647 K648 | L606-F644 HydrophobicContact CD2-CD1 4.31Å; L606-F644 HydrophobicContact CG-CD1 4.34Å; R607-F644 HydrophobicContact CB-CE1 4.21Å; R607-F644 HydrophobicContact CB-CE2 4.39Å; R607-F644 HydrophobicContact CB-CZ 4.01Å; R607-F644 HydrophobicContact CG-CD1 3.9Å; R607-F644 HydrophobicContact CG-CD2 3.79Å; R607-F644 HydrophobicContact CG-CE1 3.77Å; R607-F644 HydrophobicContact CG-CE2 3.66Å; R607-F644 HydrophobicContact CG-CG 3.9Å; R607-F644 HydrophobicContact CG-CZ 3.65Å; I610-F644 HydrophobicContact CB-CE1 4.09Å; I610-F644 HydrophobicContact CB-CZ 4.34Å; I610-F644 HydrophobicContact CD1-CD1 4.45Å; I610-F644 HydrophobicContact CD1-CE1 3.83Å; I610-F644 HydrophobicContact CG1-CE1 4.46Å; I610-F644 HydrophobicContact CG2-CE1 4.29Å; I610-F644 HydrophobicContact CG2-CZ 4.29Å; D640-F644 WeakPolarHBondContact O-CB 3.39Å; D640-F644 PolarHBondContact O-N 3.04Å; D640-F644 VanDerWaalsContact O-N 3.07Å; V642-F644 PolarHBondContact O-N 2.94Å; F644-L646 VanDerWaalsContact C-N 3.34Å; F644-L646 PolarHBondContact O-N 2.83Å; F644-E647 PolarHBondContact O-N 3.13Å; F644-K648 HydrophobicContact CD2-CG 4.47Å; F644-K648 HydrophobicContact CE1-CG 4.29Å; F644-K648 HydrophobicContact CE2-CD 4.46Å; F644-K648 HydrophobicContact CE2-CG 3.99Å; F644-K648 HydrophobicContact CZ-CD 4.38Å; F644-K648 HydrophobicContact CZ-CG 3.89Å; F644-K648 WeakPolarHBondContact O-CG 3.29Å; F644-K648 PolarHBondContact O-N 3.29Å; F644-K648 VanDerWaalsContact O-N 3.08Å |
| 645 | L | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.1 | -39.7 | 177.6 | -73.3 | 169.9 | 0 | 0 | 0 | 111.7 | L606 I610 I619 P629 L630 C641 V642 H643 K648 S649 A650 | L606-L645 HydrophobicContact CD1-CD2 4.49Å; L606-L645 HydrophobicContact CD2-CD1 4.13Å; L606-L645 HydrophobicContact CD2-CD2 4.18Å; L606-L645 HydrophobicContact CD2-CG 3.97Å; I610-L645 HydrophobicContact CD1-CD2 3.64Å; I619-L645 HydrophobicContact CG2-CD2 4.43Å; P629-L645 HydrophobicContact CB-CD1 4.22Å; L630-L645 HydrophobicContact CB-CD1 4.29Å; L630-L645 HydrophobicContact CD1-CB 4.18Å; L630-L645 HydrophobicContact CD1-CD1 4.46Å; C641-L645 WeakPolarHBondContact O-CB 3.47Å; C641-L645 WeakPolarHBondContact O-CD1 3.42Å; C641-L645 WeakPolarHBondContact O-CG 3.31Å; C641-L645 PolarHBondContact O-N 3.06Å; V642-L645 PolarHBondContact O-N 3.37Å; H643-L645 PolarHBondContact O-N 3.38Å; L645-K648 CarbonylContact O-C 3.6Å; L645-K648 PolarHBondContact O-N 3.07Å; L645-S649 PolarHBondContact O-N 3.41Å; L645-A650 HydrophobicContact CB-CB 4.06Å; L645-A650 WeakPolarHBondContact O-CB 3.5Å; L645-A650 PolarHBondContact O-N 3.12Å |
| 646 | L | 90.1 | Very high | 90.1 | Very high | 10 Ų | 10 | 47.8 Ų | 47.8 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 177.1 | -69.3 | 169.6 | 0 | 0 | 0 | 112.3 | L630 V642 H643 F644 K648 S649 P652 A677 L678 H681 | L630-L646 HydrophobicContact CD1-CD2 4.29Å; L630-L646 HydrophobicContact CD1-CG 4.15Å; L630-L646 HydrophobicContact CD2-CD2 3.9Å; V642-L646 HydrophobicContact CG1-CD1 3.68Å; V642-L646 HydrophobicContact CG1-CG 4.42Å; V642-L646 WeakPolarHBondContact O-CB 3.38Å; V642-L646 VanDerWaalsContact O-CG 3.23Å; V642-L646 WeakPolarHBondContact O-CG 3.45Å; V642-L646 PolarHBondContact O-N 3.07Å; H643-L646 PolarHBondContact O-N 2.9Å; F644-L646 VanDerWaalsContact C-N 3.34Å; F644-L646 PolarHBondContact O-N 2.83Å; L646-K648 VanDerWaalsContact C-N 3.26Å; L646-K648 PolarHBondContact O-N 3.24Å; L646-S649 PolarHBondContact O-N 3.33Å; L646-S649 VanDerWaalsContact O-N 3.11Å; L646-P652 HydrophobicContact CD2-CB 4.29Å; L646-A677 HydrophobicContact CD1-CB 4.5Å; L646-L678 HydrophobicContact CD1-CD2 4.22Å; L646-L678 HydrophobicContact CD2-CD2 4.31Å; L646-H681 HydrophobicContact CB-CB 4.37Å; L646-H681 HydrophobicContact CD1-CB 4.08Å; L646-H681 HydrophobicContact CD2-CB 4.13Å; L646-H681 HydrophobicContact CG-CB 4.43Å |
| 647 | E | 88.6 | Confident | 90.1 | Very high | 133 Ų | 133 | 53.9 Ų | 53.9 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -59.9 | -37.3 | 172 | -76 | 175.7 | 176.8 | 0 | 0 | 111.9 | H643 F644 S649 | H643-E647 WeakPolarHBondContact O-CG 3.36Å; H643-E647 PolarHBondContact O-N 3.47Å; F644-E647 PolarHBondContact O-N 3.13Å; E647-S649 PolarHBondContact O-N 3.09Å |
| 648 | K | 86.1 | Confident | 89.7 | Confident | 78 Ų | 78 | 60 Ų | 60 | 34% | 0.339 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 17 | 176.6 | -65 | -74.9 | 179.9 | 155.5 | 0 | 113.5 | I610 D611 I619 F644 L645 L646 | I610-K648 HydrophobicContact CG2-CD 4.3Å; I610-K648 HydrophobicContact CG2-CG 4.27Å; D611-K648 IonicContact OD1-NZ 3.04Å; D611-K648 PolarHBondContact OD1-NZ 2.9Å; I619-K648 HydrophobicContact CD1-CB 4.09Å; I619-K648 VanDerWaalsContact CD1-O 3.28Å; I619-K648 WeakPolarHBondContact CD1-O 3.08Å; F644-K648 HydrophobicContact CD2-CG 4.47Å; F644-K648 HydrophobicContact CE1-CG 4.29Å; F644-K648 HydrophobicContact CE2-CD 4.46Å; F644-K648 HydrophobicContact CE2-CG 3.99Å; F644-K648 HydrophobicContact CZ-CD 4.38Å; F644-K648 HydrophobicContact CZ-CG 3.89Å; F644-K648 WeakPolarHBondContact O-CG 3.29Å; F644-K648 PolarHBondContact O-N 3.29Å; F644-K648 VanDerWaalsContact O-N 3.08Å; L645-K648 CarbonylContact O-C 3.6Å; L645-K648 PolarHBondContact O-N 3.07Å; L646-K648 VanDerWaalsContact C-N 3.26Å; L646-K648 PolarHBondContact O-N 3.24Å |
| 649 | S | 84.8 | Confident | 89.4 | Confident | 95 Ų | 95 | 58 Ų | 58 | 66% | 0.664 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.6 | 33.5 | 176.3 | -52.7 | 0 | 0 | 0 | 0 | 115.6 | L645 L646 E647 | L645-S649 PolarHBondContact O-N 3.41Å; L646-S649 PolarHBondContact O-N 3.33Å; L646-S649 VanDerWaalsContact O-N 3.11Å; E647-S649 PolarHBondContact O-N 3.09Å |
| 650 | A | 86.7 | Confident | 89.3 | Confident | 7 Ų | 7 | 57.3 Ų | 57.3 | 6% | 0.058 | 29% | 0.285 | C | S | . | . | trans | -61.3 | 142.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I619 L630 L645 P652 | I619-A650 HydrophobicContact CG2-CB 3.51Å; L630-A650 HydrophobicContact CB-CB 4.43Å; L630-A650 HydrophobicContact CD2-CB 4.06Å; L645-A650 HydrophobicContact CB-CB 4.06Å; L645-A650 WeakPolarHBondContact O-CB 3.5Å; L645-A650 PolarHBondContact O-N 3.12Å; A650-P652 WeakPolarHBondContact O-CD 3.28Å | ||
| 651 | L | 87.8 | Confident | 89.3 | Confident | 101 Ų | 101 | 52.8 Ų | 52.8 | 53% | 0.529 | 26% | 0.261 | S | S | . | . | trans | -81.8 | 109.1 | -179.4 | -64.1 | 173.1 | 0 | 0 | 0 | 111.3 | N620 D653 A654 | N620-L651 PolarHBondContact OD1-N 2.8Å; N620-L651 VanDerWaalsContact OD1-N 3.14Å; L651-D653 VanDerWaalsContact C-N 3.33Å; L651-D653 PolarHBondContact O-N 3.02Å; L651-A654 HydrophobicContact CB-CB 4.2Å; L651-A654 PolarHBondContact O-N 3.41Å | ||
| 652 | P | 87.2 | Confident | 89.2 | Confident | 24 Ų | 24 | 52.8 Ų | 52.8 | 16% | 0.156 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -28.1 | -178 | 28.8 | -34.9 | 0 | 0 | 0 | 113.4 | L630 L646 A650 L678 A683 | L630-P652 HydrophobicContact CD2-CB 4.48Å; L646-P652 HydrophobicContact CD2-CB 4.29Å; A650-P652 WeakPolarHBondContact O-CD 3.28Å; P652-L678 HydrophobicContact CB-CD2 4.19Å; P652-A683 HydrophobicContact CB-CB 3.8Å; P652-A683 HydrophobicContact CG-CB 4.34Å |
| 653 | D | 87.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 52.8 Ų | 52.8 | 35% | 0.353 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 7.3 | -177.7 | -65.8 | -28.2 | 0 | 0 | 0 | 113.4 | L651 S684 | L651-D653 VanDerWaalsContact C-N 3.33Å; L651-D653 PolarHBondContact O-N 3.02Å; D653-S684 PolarHBondContact OD1-N 3.38Å |
| 654 | A | 89.3 | Confident | 89.2 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 20% | 0.198 | 25% | 0.245 | C | C | . | . | trans | -56 | 143.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | T628 M631 L651 T661 | T628-A654 HydrophobicContact CG2-CB 4.16Å; M631-A654 VanDerWaalsContact CE-C 3.41Å; M631-A654 HydrophobicContact CE-CB 3.95Å; M631-A654 WeakPolarHBondContact CE-O 3.46Å; L651-A654 HydrophobicContact CB-CB 4.2Å; L651-A654 PolarHBondContact O-N 3.41Å; A654-T661 WeakPolarHBondContact O-CA 3.48Å | ||
| 655 | K | 90.5 | Very high | 89.2 | Confident | 112 Ų | 112 | 49.8 Ų | 49.8 | 49% | 0.487 | 25% | 0.247 | S | C | . | . | trans | -117.3 | 135.3 | -177 | -66.7 | -174.5 | -177.2 | -169.1 | 0 | 110.8 | T661 R688 | K655-T661 HydrophobicContact CG-CG2 3.95Å; K655-R688 PolarHBondContact NZ-O 3.04Å | ||
| 656 | D | 90.8 | Very high | 89.3 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 7% | 0.07 | 25% | 0.247 | C | C | . | . | trans | -72.9 | 177.7 | 169.6 | 75.3 | 10.5 | 0 | 0 | 0 | 111.8 | G626 Q627 M631 R658 G659 H660 R665 | G626-D656 WeakPolarHBondContact O-CA 3.44Å; Q627-D656 HydrophobicContact CG-CB 4.22Å; M631-D656 HydrophobicContact SD-CB 4.16Å; D656-R658 PolarHBondContact O-N 3.13Å; D656-R658 VanDerWaalsContact OD1-C 3.3Å; D656-R658 VanDerWaalsContact OD1-CA 3.28Å; D656-R658 WeakPolarHBondContact OD1-CA 3.36Å; D656-R658 WeakPolarHBondContact OD1-CB 3.49Å; D656-R658 PolarHBondContact OD1-N 3.43Å; D656-G659 PolarHBondContact O-N 3.4Å; D656-G659 PolarHBondContact OD1-N 3.11Å; D656-H660 PolarHBondContact N-O 3.47Å; D656-H660 IonicContact OD1-CG 3.75Å; D656-H660 PolarHBondContact OD1-N 3.33Å; D656-H660 IonicContact OD1-ND1 3.22Å; D656-H660 IonicContact OD2-CG 3.49Å; D656-H660 IonicContact OD2-ND1 3.72Å; D656-R665 IonicContact OD2-CZ 3.97Å; D656-R665 IonicContact OD2-NE 2.64Å; D656-R665 IonicContact OD2-NH2 3.3Å; D656-R665 PolarHBondContact OD2-NH2 2.84Å | ||
| 657 | K | 88.8 | Confident | 89.3 | Confident | 162 Ų | 162 | 49.3 Ų | 49.3 | 70% | 0.704 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.9 | 178.3 | -72.8 | -179.7 | -179.6 | 179.1 | 0 | 114.3 | K624 F625 | K624-K657 VanDerWaalsContact O-CE 3.25Å; K624-K657 WeakPolarHBondContact O-CE 3.44Å; K624-K657 PolarHBondContact O-NZ 3.27Å; F625-K657 WeakPolarHBondContact O-CB 3.38Å; F625-K657 VanDerWaalsContact O-CG 3.31Å; F625-K657 WeakPolarHBondContact O-CG 3.42Å; F625-K657 PolarHBondContact O-N 3.13Å |
| 658 | R | 85.8 | Confident | 89.5 | Confident | 151 Ų | 151 | 44.3 Ų | 44.3 | 57% | 0.57 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 0.1 | 176.3 | -61.3 | -176.3 | 67.8 | 160.3 | 2.8 | 112.3 | D656 A690 | D656-R658 PolarHBondContact O-N 3.13Å; D656-R658 VanDerWaalsContact OD1-C 3.3Å; D656-R658 VanDerWaalsContact OD1-CA 3.28Å; D656-R658 WeakPolarHBondContact OD1-CA 3.36Å; D656-R658 WeakPolarHBondContact OD1-CB 3.49Å; D656-R658 PolarHBondContact OD1-N 3.43Å; R658-A690 VanDerWaalsContact O-CB 3.26Å; R658-A690 WeakPolarHBondContact O-CB 3.31Å; R658-A690 PolarHBondContact O-N 3.47Å |
| 659 | G | 87.9 | Confident | 89.7 | Confident | 13 Ų | 13 | 44 Ų | 44 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 83.4 | 8.2 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | D656 | D656-G659 PolarHBondContact O-N 3.4Å; D656-G659 PolarHBondContact OD1-N 3.11Å |
| 660 | H | 90.7 | Very high | 89.9 | Confident | 25 Ų | 25 | 40.3 Ų | 40.3 | 12% | 0.116 | 20% | 0.201 | C | C | . | . | trans | -80.4 | 135 | 178.8 | -54.7 | 138.9 | 0 | 0 | 0 | 111.2 | D656 H664 D689 Y698 | D656-H660 PolarHBondContact N-O 3.47Å; D656-H660 IonicContact OD1-CG 3.75Å; D656-H660 PolarHBondContact OD1-N 3.33Å; D656-H660 IonicContact OD1-ND1 3.22Å; D656-H660 IonicContact OD2-CG 3.49Å; D656-H660 IonicContact OD2-ND1 3.72Å; H660-H664 HydrophobicContact CB-CB 4.09Å; H660-D689 IonicContact CD2-OD2 2.65Å; H660-D689 IonicContact NE2-OD2 3.46Å; H660-Y698 PolarHBondContact NE2-OH 2.89Å; H660-Y698 VanDerWaalsContact NE2-OH 3.09Å | ||
| 661 | T | 92.9 | Very high | 90.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | trans | -93.4 | 172.3 | 170.1 | 66.4 | 0 | 0 | 0 | 0 | 111 | A654 K655 L663 H664 R665 C687 | A654-T661 WeakPolarHBondContact O-CA 3.48Å; K655-T661 HydrophobicContact CG-CG2 3.95Å; T661-L663 PolarHBondContact O-N 3.38Å; T661-L663 PolarHBondContact OG1-N 3.02Å; T661-H664 PolarHBondContact N-ND1 2.89Å; T661-H664 VanDerWaalsContact N-ND1 3.14Å; T661-H664 WeakPolarHBondContact O-CB 3.4Å; T661-H664 PolarHBondContact O-N 2.99Å; T661-H664 PolarHBondContact OG1-ND1 3.33Å; T661-R665 PolarHBondContact O-N 3.12Å; T661-C687 HydrophobicContact CG2-CB 3.75Å | ||
| 662 | A | 91.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.2 | -38.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L630 M631 V634 H664 R665 G666 L678 | L630-A662 HydrophobicContact CD2-CB 4.43Å; L630-A662 HydrophobicContact CG-CB 4.24Å; M631-A662 HydrophobicContact CG-CB 4.22Å; V634-A662 WeakPolarHBondContact CG1-O 3.45Å; V634-A662 HydrophobicContact CG2-CB 4.22Å; A662-H664 PolarHBondContact O-N 3.31Å; A662-R665 PolarHBondContact O-N 3.4Å; A662-R665 VanDerWaalsContact O-N 3.12Å; A662-G666 PolarHBondContact O-N 3.42Å; A662-L678 HydrophobicContact CB-CD1 4.05Å; A662-L678 HydrophobicContact CB-CD2 4.05Å |
| 663 | L | 92.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 178.4 | -164.6 | 63.7 | 0 | 0 | 0 | 113 | T661 R665 G666 A667 V675 L678 L679 A683 P685 P695 L711 | T661-L663 PolarHBondContact O-N 3.38Å; T661-L663 PolarHBondContact OG1-N 3.02Å; L663-R665 VanDerWaalsContact C-N 3.28Å; L663-R665 PolarHBondContact O-N 2.99Å; L663-G666 PolarHBondContact O-N 3.05Å; L663-A667 VanDerWaalsContact O-CB 3.28Å; L663-A667 WeakPolarHBondContact O-CB 3.46Å; L663-A667 PolarHBondContact O-N 3.22Å; L663-V675 HydrophobicContact CD1-CB 4.47Å; L663-V675 HydrophobicContact CD1-CG1 3.85Å; L663-V675 HydrophobicContact CD1-CG2 4.37Å; L663-L678 HydrophobicContact CB-CD1 4.4Å; L663-L678 HydrophobicContact CD1-CB 4.18Å; L663-L678 HydrophobicContact CD1-CD1 4.09Å; L663-L679 HydrophobicContact CD1-CD2 4.28Å; L663-L679 HydrophobicContact CD1-CG 4.39Å; L663-L679 HydrophobicContact CD2-CD2 4.2Å; L663-A683 HydrophobicContact CD2-CB 4.48Å; L663-P685 HydrophobicContact CD2-CB 4.19Å; L663-P695 HydrophobicContact CB-CG 4.21Å; L663-P695 HydrophobicContact CD2-CB 4.41Å; L663-P695 HydrophobicContact CD2-CG 4.05Å; L663-P695 HydrophobicContact CG-CB 4.11Å; L663-P695 HydrophobicContact CG-CG 4.02Å; L663-L711 HydrophobicContact CD1-CD2 4.02Å; L663-L711 HydrophobicContact CD2-CD2 3.78Å; L663-L711 HydrophobicContact CG-CD2 4.01Å |
| 664 | H | 92.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 42.2 Ų | 42.2 | 1% | 0.009 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 173.8 | -72.2 | 86.1 | 0 | 0 | 0 | 111.5 | H660 T661 A662 A667 V668 C687 R693 P695 Y698 | H660-H664 HydrophobicContact CB-CB 4.09Å; T661-H664 PolarHBondContact N-ND1 2.89Å; T661-H664 VanDerWaalsContact N-ND1 3.14Å; T661-H664 WeakPolarHBondContact O-CB 3.4Å; T661-H664 PolarHBondContact O-N 2.99Å; T661-H664 PolarHBondContact OG1-ND1 3.33Å; A662-H664 PolarHBondContact O-N 3.31Å; H664-A667 PolarHBondContact O-N 3.21Å; H664-V668 VanDerWaalsContact O-CG2 3.24Å; H664-V668 WeakPolarHBondContact O-CG2 3.47Å; H664-V668 PolarHBondContact O-N 3.37Å; H664-C687 PolarHBondContact CE1-O 3.37Å; H664-C687 PolarHBondContact NE2-O 2.92Å; H664-R693 PolarHBondContact NE2-O 3.04Å; H664-P695 WeakPolarHBondContact NE2-CD 3.35Å; H664-Y698 AromaticContact CD2-CD2 3.81Å; H664-Y698 AromaticContact CD2-CE2 3.74Å |
| 665 | R | 90.9 | Very high | 90.9 | Very high | 29 Ų | 29 | 41.1 Ų | 41.1 | 11% | 0.109 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -72.1 | -42.8 | -178 | -66.6 | 171.2 | 177.3 | -104.1 | -3.3 | 111.4 | V634 D656 T661 A662 L663 A667 V668 L669 | V634-R665 HydrophobicContact CG1-CB 4.45Å; D656-R665 IonicContact OD2-CZ 3.97Å; D656-R665 IonicContact OD2-NE 2.64Å; D656-R665 IonicContact OD2-NH2 3.3Å; D656-R665 PolarHBondContact OD2-NH2 2.84Å; T661-R665 PolarHBondContact O-N 3.12Å; A662-R665 PolarHBondContact O-N 3.4Å; A662-R665 VanDerWaalsContact O-N 3.12Å; L663-R665 VanDerWaalsContact C-N 3.28Å; L663-R665 PolarHBondContact O-N 2.99Å; R665-A667 VanDerWaalsContact C-N 3.3Å; R665-A667 PolarHBondContact O-N 3.18Å; R665-V668 PolarHBondContact O-N 3.22Å; R665-V668 VanDerWaalsContact O-N 3.15Å; R665-L669 PolarHBondContact O-N 2.89Å; R665-L669 VanDerWaalsContact O-N 3.08Å |
| 666 | G | 91.7 | Very high | 91 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.4 | -44.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | A662 L663 V668 L669 G670 H671 | A662-G666 PolarHBondContact O-N 3.42Å; L663-G666 PolarHBondContact O-N 3.05Å; G666-V668 VanDerWaalsContact C-N 3.32Å; G666-V668 PolarHBondContact O-N 3.49Å; G666-L669 PolarHBondContact O-N 3.46Å; G666-G670 PolarHBondContact O-N 3.02Å; G666-H671 PolarHBondContact O-N 3.4Å |
| 667 | A | 91.8 | Very high | 91 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69.3 | -21.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L663 H664 R665 P695 A699 H704 I707 L711 | L663-A667 VanDerWaalsContact O-CB 3.28Å; L663-A667 WeakPolarHBondContact O-CB 3.46Å; L663-A667 PolarHBondContact O-N 3.22Å; H664-A667 PolarHBondContact O-N 3.21Å; R665-A667 VanDerWaalsContact C-N 3.3Å; R665-A667 PolarHBondContact O-N 3.18Å; A667-P695 HydrophobicContact CB-CB 3.99Å; A667-P695 WeakPolarHBondContact CB-O 3.46Å; A667-A699 HydrophobicContact CB-CB 4.21Å; A667-A699 WeakPolarHBondContact O-CA 3.5Å; A667-A699 PolarHBondContact O-N 2.98Å; A667-H704 PolarHBondContact O-CD2 3.32Å; A667-H704 VanDerWaalsContact O-CD2 3.28Å; A667-I707 HydrophobicContact CB-CG2 4.29Å; A667-L711 HydrophobicContact CB-CD1 4.31Å |
| 668 | V | 91.4 | Very high | 91.1 | Very high | 28 Ų | 28 | 30.1 Ų | 30.1 | 17% | 0.17 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -81.3 | -42.3 | 174.7 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | H664 R665 G666 Y698 R702 H704 | H664-V668 VanDerWaalsContact O-CG2 3.24Å; H664-V668 WeakPolarHBondContact O-CG2 3.47Å; H664-V668 PolarHBondContact O-N 3.37Å; R665-V668 PolarHBondContact O-N 3.22Å; R665-V668 VanDerWaalsContact O-N 3.15Å; G666-V668 VanDerWaalsContact C-N 3.32Å; G666-V668 PolarHBondContact O-N 3.49Å; V668-Y698 HydrophobicContact CG2-CD1 3.3Å; V668-Y698 HydrophobicContact CG2-CE1 3.96Å; V668-Y698 HydrophobicContact CG2-CG 3.6Å; V668-R702 WeakPolarHBondContact O-CG 3.12Å; V668-R702 PolarHBondContact O-NH1 3.37Å; V668-H704 PolarHBondContact O-NE2 2.9Å |
| 669 | L | 90.2 | Very high | 91.3 | Very high | 71 Ų | 71 | 24.2 Ų | 24.2 | 37% | 0.372 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -88.7 | -24.3 | -172.4 | -66.1 | -180 | 0 | 0 | 0 | 113.6 | L635 R665 G666 | L635-L669 HydrophobicContact CD1-CD1 3.69Å; L635-L669 HydrophobicContact CG-CD1 4.07Å; L635-L669 WeakPolarHBondContact O-CD1 3.49Å; R665-L669 PolarHBondContact O-N 2.89Å; R665-L669 VanDerWaalsContact O-N 3.08Å; G666-L669 PolarHBondContact O-N 3.46Å |
| 670 | G | 90.4 | Very high | 91.3 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 18% | 0.175 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 37.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G666 D672 H704 | G666-G670 PolarHBondContact O-N 3.02Å; G670-D672 PolarHBondContact O-N 3.46Å; G670-H704 WeakPolarHBondContact CA-CE1 3.21Å; G670-H704 VanDerWaalsContact CA-NE2 3.31Å; G670-H704 WeakPolarHBondContact CA-NE2 3.41Å; G670-H704 PolarHBondContact N-NE2 3.06Å |
| 671 | H | 92.3 | Very high | 91.2 | Very high | 55 Ų | 55 | 30 Ų | 30 | 26% | 0.255 | 18% | 0.177 | S | C | . | . | trans | -93.7 | 85.1 | 179.2 | -61.5 | -50.6 | 0 | 0 | 0 | 110 | V634 L635 G637 G666 D673 C674 V675 | V634-H671 PolarHBondContact O-CD2 3.05Å; L635-H671 PolarHBondContact O-NE2 2.82Å; G637-H671 PolarHBondContact N-NE2 3.42Å; G666-H671 PolarHBondContact O-N 3.4Å; H671-D673 PolarHBondContact O-N 3.44Å; H671-C674 HydrophobicContact CB-CB 3.93Å; H671-C674 PolarHBondContact O-N 3.04Å; H671-V675 WeakPolarHBondContact O-CG2 3.2Å; H671-V675 PolarHBondContact O-N 3.39Å | ||
| 672 | D | 90.7 | Very high | 90.8 | Very high | 65 Ų | 65 | 38.9 Ų | 38.9 | 35% | 0.348 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.2 | -47.8 | -171.1 | -55.5 | -60.1 | 0 | 0 | 0 | 112.2 | G670 C674 V675 A676 I707 | G670-D672 PolarHBondContact O-N 3.46Å; D672-C674 PolarHBondContact O-N 3.42Å; D672-V675 PolarHBondContact O-N 3.26Å; D672-A676 WeakPolarHBondContact O-CB 3.41Å; D672-A676 PolarHBondContact O-N 2.93Å; D672-I707 HydrophobicContact CB-CG1 4.44Å; D672-I707 WeakPolarHBondContact OD1-CD1 3.5Å; D672-I707 WeakPolarHBondContact OD1-CG1 3.47Å |
| 673 | D | 91.3 | Very high | 90.6 | Very high | 117 Ų | 117 | 39 Ų | 39 | 63% | 0.626 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63 | -40.7 | 179.9 | -67 | -29.6 | 0 | 0 | 0 | 112.6 | T639 H671 V675 A676 A677 | T639-D673 HydrophobicContact CG2-CB 3.36Å; H671-D673 PolarHBondContact O-N 3.44Å; D673-V675 VanDerWaalsContact C-N 3.35Å; D673-A676 PolarHBondContact O-N 3.36Å; D673-A677 WeakPolarHBondContact O-CB 3.39Å; D673-A677 PolarHBondContact O-N 2.89Å |
| 674 | C | 92.6 | Very high | 90.3 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.6 | -40 | 175.9 | -67.8 | 0 | 0 | 0 | 0 | 111.3 | V634 H671 D672 A677 L678 | V634-C674 HydrophobicContact CG1-CB 4.28Å; V634-C674 HydrophobicContact CG2-CB 4.42Å; H671-C674 HydrophobicContact CB-CB 3.93Å; H671-C674 PolarHBondContact O-N 3.04Å; D672-C674 PolarHBondContact O-N 3.42Å; C674-A677 PolarHBondContact O-N 3.04Å; C674-L678 VanDerWaalsContact O-CG 3.26Å; C674-L678 WeakPolarHBondContact O-CG 3.45Å; C674-L678 PolarHBondContact O-N 3.07Å |
| 675 | V | 92.6 | Very high | 90 | Very high | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.012 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.6 | -43.6 | 176.2 | 170 | 0 | 0 | 0 | 0 | 110.6 | L663 H671 D672 D673 A677 L678 L679 I707 L711 | L663-V675 HydrophobicContact CD1-CB 4.47Å; L663-V675 HydrophobicContact CD1-CG1 3.85Å; L663-V675 HydrophobicContact CD1-CG2 4.37Å; H671-V675 WeakPolarHBondContact O-CG2 3.2Å; H671-V675 PolarHBondContact O-N 3.39Å; D672-V675 PolarHBondContact O-N 3.26Å; D673-V675 VanDerWaalsContact C-N 3.35Å; V675-A677 VanDerWaalsContact C-N 3.34Å; V675-A677 PolarHBondContact O-N 3.26Å; V675-L678 PolarHBondContact O-N 3.3Å; V675-L679 HydrophobicContact CG1-CD1 3.92Å; V675-L679 HydrophobicContact CG1-CG 4.32Å; V675-L679 VanDerWaalsContact O-CG 3.31Å; V675-L679 WeakPolarHBondContact O-CG 3.4Å; V675-L679 PolarHBondContact O-N 2.74Å; V675-I707 HydrophobicContact CB-CG1 4.06Å; V675-I707 HydrophobicContact CG1-CG1 4.18Å; V675-I707 HydrophobicContact CG1-CG2 4.2Å; V675-I707 HydrophobicContact CG2-CD1 4.18Å; V675-I707 HydrophobicContact CG2-CG1 4.03Å; V675-I707 HydrophobicContact CG2-CG2 4.43Å; V675-L711 HydrophobicContact CG1-CD2 4.49Å |
| 676 | A | 91.2 | Very high | 89.7 | Confident | 53 Ų | 53 | 41 Ų | 41 | 44% | 0.438 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.5 | -44 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D672 D673 L679 A680 | D672-A676 WeakPolarHBondContact O-CB 3.41Å; D672-A676 PolarHBondContact O-N 2.93Å; D673-A676 PolarHBondContact O-N 3.36Å; A676-L679 PolarHBondContact O-N 2.83Å; A676-A680 WeakPolarHBondContact O-CB 3.39Å; A676-A680 PolarHBondContact O-N 3.5Å |
| 677 | A | 91.1 | Very high | 89.4 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 3% | 0.025 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.8 | -45.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V642 H643 L646 D673 C674 V675 L679 A680 H681 | V642-A677 HydrophobicContact CG1-CB 4.04Å; H643-A677 VanDerWaalsContact CE1-CB 3.46Å; H643-A677 WeakPolarHBondContact CE1-CB 3.16Å; L646-A677 HydrophobicContact CD1-CB 4.5Å; D673-A677 WeakPolarHBondContact O-CB 3.39Å; D673-A677 PolarHBondContact O-N 2.89Å; C674-A677 PolarHBondContact O-N 3.04Å; V675-A677 VanDerWaalsContact C-N 3.34Å; V675-A677 PolarHBondContact O-N 3.26Å; A677-L679 PolarHBondContact O-N 2.96Å; A677-A680 PolarHBondContact O-N 2.97Å; A677-H681 PolarHBondContact O-CD2 2.9Å; A677-H681 PolarHBondContact O-N 3.17Å |
| 678 | L | 92.3 | Very high | 89.3 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.6 | -72.8 | 168.5 | 0 | 0 | 0 | 112.1 | L630 V634 V642 L646 P652 A662 L663 C674 V675 H681 K682 A683 | L630-L678 HydrophobicContact CD1-CD2 4.42Å; L630-L678 HydrophobicContact CD2-CD2 4.23Å; V634-L678 HydrophobicContact CG1-CD1 4.46Å; V634-L678 HydrophobicContact CG2-CD1 4.02Å; V642-L678 HydrophobicContact CG1-CG 4.5Å; L646-L678 HydrophobicContact CD1-CD2 4.22Å; L646-L678 HydrophobicContact CD2-CD2 4.31Å; P652-L678 HydrophobicContact CB-CD2 4.19Å; A662-L678 HydrophobicContact CB-CD1 4.05Å; A662-L678 HydrophobicContact CB-CD2 4.05Å; L663-L678 HydrophobicContact CB-CD1 4.4Å; L663-L678 HydrophobicContact CD1-CB 4.18Å; L663-L678 HydrophobicContact CD1-CD1 4.09Å; C674-L678 VanDerWaalsContact O-CG 3.26Å; C674-L678 WeakPolarHBondContact O-CG 3.45Å; C674-L678 PolarHBondContact O-N 3.07Å; V675-L678 PolarHBondContact O-N 3.3Å; L678-H681 CarbonylContact O-C 3.58Å; L678-H681 PolarHBondContact O-N 2.83Å; L678-K682 PolarHBondContact O-N 3.06Å; L678-A683 HydrophobicContact CB-CB 3.95Å; L678-A683 WeakPolarHBondContact O-CB 3.49Å; L678-A683 PolarHBondContact O-N 3.08Å |
| 679 | L | 89.7 | Confident | 89.2 | Confident | 26 Ų | 26 | 44.4 Ų | 44.4 | 14% | 0.136 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -67 | -38.6 | 179.1 | -68 | 175.4 | 0 | 0 | 0 | 111.9 | L663 V675 A676 A677 H681 K682 L711 V714 | L663-L679 HydrophobicContact CD1-CD2 4.28Å; L663-L679 HydrophobicContact CD1-CG 4.39Å; L663-L679 HydrophobicContact CD2-CD2 4.2Å; V675-L679 HydrophobicContact CG1-CD1 3.92Å; V675-L679 HydrophobicContact CG1-CG 4.32Å; V675-L679 VanDerWaalsContact O-CG 3.31Å; V675-L679 WeakPolarHBondContact O-CG 3.4Å; V675-L679 PolarHBondContact O-N 2.74Å; A676-L679 PolarHBondContact O-N 2.83Å; A677-L679 PolarHBondContact O-N 2.96Å; L679-H681 PolarHBondContact O-N 2.97Å; L679-K682 PolarHBondContact O-N 3.44Å; L679-L711 HydrophobicContact CD1-CD2 4.3Å; L679-L711 HydrophobicContact CD2-CD2 4.17Å; L679-V714 HydrophobicContact CD1-CG2 4.28Å; L679-V714 HydrophobicContact CD2-CB 4.43Å; L679-V714 HydrophobicContact CD2-CG1 4.35Å; L679-V714 HydrophobicContact CD2-CG2 4.23Å |
| 680 | A | 88.2 | Confident | 89.1 | Confident | 80 Ų | 80 | 44 Ų | 44 | 66% | 0.661 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -59.5 | -34.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A676 A677 K682 | A676-A680 WeakPolarHBondContact O-CB 3.39Å; A676-A680 PolarHBondContact O-N 3.5Å; A677-A680 PolarHBondContact O-N 2.97Å; A680-K682 VanDerWaalsContact C-N 3.29Å; A680-K682 PolarHBondContact O-N 3.28Å |
| 681 | H | 86.9 | Confident | 88.8 | Confident | 79 Ų | 79 | 46.5 Ų | 46.5 | 37% | 0.366 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 24.4 | 175.2 | -73.4 | -96.6 | 0 | 0 | 0 | 113.9 | L646 A677 L678 L679 A683 | L646-H681 HydrophobicContact CB-CB 4.37Å; L646-H681 HydrophobicContact CD1-CB 4.08Å; L646-H681 HydrophobicContact CD2-CB 4.13Å; L646-H681 HydrophobicContact CG-CB 4.43Å; A677-H681 PolarHBondContact O-CD2 2.9Å; A677-H681 PolarHBondContact O-N 3.17Å; L678-H681 CarbonylContact O-C 3.58Å; L678-H681 PolarHBondContact O-N 2.83Å; L679-H681 PolarHBondContact O-N 2.97Å; H681-A683 PolarHBondContact O-N 3.43Å |
| 682 | K | 84.7 | Confident | 88.5 | Confident | 187 Ų | 187 | 44.2 Ų | 44.2 | 81% | 0.813 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 30.9 | 172.5 | -54 | 179.8 | 178.8 | 177.5 | 0 | 115.6 | L678 L679 A680 | L678-K682 PolarHBondContact O-N 3.06Å; L679-K682 PolarHBondContact O-N 3.44Å; A680-K682 VanDerWaalsContact C-N 3.29Å; A680-K682 PolarHBondContact O-N 3.28Å |
| 683 | A | 87.1 | Confident | 88.5 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | trans | -61.8 | 137.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | P652 L663 L678 H681 P685 | P652-A683 HydrophobicContact CB-CB 3.8Å; P652-A683 HydrophobicContact CG-CB 4.34Å; L663-A683 HydrophobicContact CD2-CB 4.48Å; L678-A683 HydrophobicContact CB-CB 3.95Å; L678-A683 WeakPolarHBondContact O-CB 3.49Å; L678-A683 PolarHBondContact O-N 3.08Å; H681-A683 PolarHBondContact O-N 3.43Å; A683-P685 WeakPolarHBondContact O-CD 3.34Å | ||
| 684 | S | 87.3 | Confident | 88.4 | Confident | 37 Ų | 37 | 37.7 Ų | 37.7 | 26% | 0.259 | 21% | 0.212 | S | C | . | . | trans | -83.8 | 120 | -176.8 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | D653 L686 | D653-S684 PolarHBondContact OD1-N 3.38Å; S684-L686 PolarHBondContact O-N 3.15Å; S684-L686 PolarHBondContact OG-N 3.44Å | ||
| 685 | P | 85.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.006 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -7.5 | 175 | 33.5 | -36.7 | 0 | 0 | 0 | 113.3 | L663 A683 P695 L696 L711 V714 T715 | L663-P685 HydrophobicContact CD2-CB 4.19Å; A683-P685 WeakPolarHBondContact O-CD 3.34Å; P685-P695 WeakPolarHBondContact O-CD 3.37Å; P685-L696 HydrophobicContact CB-CD1 4.12Å; P685-L711 HydrophobicContact CB-CD2 3.98Å; P685-V714 HydrophobicContact CG-CB 4.32Å; P685-V714 HydrophobicContact CG-CG1 3.92Å; P685-T715 WeakPolarHBondContact CG-OG1 3.39Å |
| 686 | L | 84.6 | Confident | 88.2 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 18% | 0.178 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -0.1 | -178.9 | -66.3 | 177.1 | 0 | 0 | 0 | 113.1 | S684 R688 T715 D719 D722 L724 | S684-L686 PolarHBondContact O-N 3.15Å; S684-L686 PolarHBondContact OG-N 3.44Å; L686-R688 PolarHBondContact O-N 3.49Å; L686-T715 HydrophobicContact CD2-CG2 3.79Å; L686-D719 HydrophobicContact CD1-CB 3.87Å; L686-D722 HydrophobicContact CD2-CB 4.16Å; L686-L724 HydrophobicContact CD2-CD2 3.94Å |
| 687 | C | 86.5 | Confident | 88.1 | Confident | 16 Ų | 16 | 35 Ų | 35 | 11% | 0.108 | 19% | 0.191 | C | C | . | . | trans | -61.8 | 129.2 | 176.3 | -77.4 | 0 | 0 | 0 | 0 | 110.3 | T661 H664 P695 | T661-C687 HydrophobicContact CG2-CB 3.75Å; H664-C687 PolarHBondContact CE1-O 3.37Å; H664-C687 PolarHBondContact NE2-O 2.92Å; C687-P695 WeakPolarHBondContact O-CD 3.49Å | ||
| 688 | R | 88.4 | Confident | 88.1 | Confident | 74 Ų | 74 | 36.3 Ų | 36.3 | 28% | 0.279 | 20% | 0.195 | S | C | . | . | trans | -104.1 | 138.9 | 179.7 | -66.9 | 169.3 | 178.1 | -97.4 | 8.7 | 111.8 | K655 L686 G692 R693 T694 D722 L725 | K655-R688 PolarHBondContact NZ-O 3.04Å; L686-R688 PolarHBondContact O-N 3.49Å; R688-G692 PolarHBondContact NH1-O 3.25Å; R688-R693 WeakPolarHBondContact CA-O 3.3Å; R688-T694 HydrophobicContact CG-CG2 3.87Å; R688-D722 IonicContact CZ-OD1 2.74Å; R688-D722 IonicContact NE-OD2 3.93Å; R688-D722 IonicContact NH2-OD1 3.97Å; R688-D722 PolarHBondContact NH2-OD1 2.99Å; R688-D722 IonicContact NH2-OD2 3.88Å; R688-D722 PolarHBondContact NH2-OD2 3.17Å; R688-L725 PolarHBondContact NH1-O 3.23Å | ||
| 689 | D | 89.6 | Confident | 88.1 | Confident | 10 Ų | 10 | 36.3 Ų | 36.3 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | trans | -76.2 | 179 | 170.8 | 79.1 | 1.1 | 0 | 0 | 0 | 112.3 | H660 Q691 G692 R693 Y698 | H660-D689 IonicContact CD2-OD2 2.65Å; H660-D689 IonicContact NE2-OD2 3.46Å; D689-Q691 PolarHBondContact O-N 2.95Å; D689-Q691 VanDerWaalsContact O-N 3.13Å; D689-Q691 VanDerWaalsContact OD1-C 3.25Å; D689-Q691 VanDerWaalsContact OD1-CA 3.26Å; D689-Q691 WeakPolarHBondContact OD1-CA 3.45Å; D689-Q691 WeakPolarHBondContact OD1-CB 3.47Å; D689-Q691 PolarHBondContact OD1-N 2.95Å; D689-Q691 PolarHBondContact OD2-OE1 3.18Å; D689-G692 PolarHBondContact O-N 3.48Å; D689-G692 PolarHBondContact OD1-N 3.49Å; D689-R693 PolarHBondContact N-O 2.98Å; D689-R693 WeakPolarHBondContact OD1-CB 3.2Å; D689-R693 PolarHBondContact OD1-N 3.22Å; D689-R693 IonicContact OD1-NE 3.93Å; D689-R693 IonicContact OD2-CZ 3.81Å; D689-R693 VanDerWaalsContact OD2-CZ 3.32Å; D689-R693 IonicContact OD2-NE 3.47Å; D689-R693 PolarHBondContact OD2-NE 3.39Å; D689-R693 IonicContact OD2-NH2 2.87Å; D689-R693 PolarHBondContact OD2-NH2 3.32Å; D689-Y698 PolarHBondContact OD2-OH 3.18Å | ||
| 690 | A | 88.1 | Confident | 88.1 | Confident | 63 Ų | 63 | 35.1 Ų | 35.1 | 52% | 0.521 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -16.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | R658 N727 | R658-A690 VanDerWaalsContact O-CB 3.26Å; R658-A690 WeakPolarHBondContact O-CB 3.31Å; R658-A690 PolarHBondContact O-N 3.47Å; A690-N727 PolarHBondContact O-ND2 3.41Å |
| 691 | Q | 85.4 | Confident | 88.3 | Confident | 70 Ų | 70 | 32.2 Ų | 32.2 | 33% | 0.327 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 8.4 | 174.7 | -66.5 | 76.7 | 42 | 0 | 0 | 112.4 | D689 R693 N727 | D689-Q691 PolarHBondContact O-N 2.95Å; D689-Q691 VanDerWaalsContact O-N 3.13Å; D689-Q691 VanDerWaalsContact OD1-C 3.25Å; D689-Q691 VanDerWaalsContact OD1-CA 3.26Å; D689-Q691 WeakPolarHBondContact OD1-CA 3.45Å; D689-Q691 WeakPolarHBondContact OD1-CB 3.47Å; D689-Q691 PolarHBondContact OD1-N 2.95Å; D689-Q691 PolarHBondContact OD2-OE1 3.18Å; Q691-R693 VanDerWaalsContact C-N 3.26Å; Q691-R693 HydrophobicContact CB-CG 4.32Å; Q691-R693 PolarHBondContact O-N 3.15Å; Q691-N727 VanDerWaalsContact C-ND2 3.33Å; Q691-N727 WeakPolarHBondContact CA-ND2 3.26Å; Q691-N727 WeakPolarHBondContact O-CB 3.47Å; Q691-N727 PolarHBondContact O-N 3.05Å; Q691-N727 PolarHBondContact O-ND2 3.45Å; Q691-N727 PolarHBondContact O-OD1 3.13Å |
| 692 | G | 85.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 35 Ų | 35 | 7% | 0.072 | 17% | 0.171 | C | C | . | . | S | Bend | trans | 78.1 | 5.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R688 D689 | R688-G692 PolarHBondContact NH1-O 3.25Å; D689-G692 PolarHBondContact O-N 3.48Å; D689-G692 PolarHBondContact OD1-N 3.49Å |
| 693 | R | 89.3 | Confident | 88.8 | Confident | 44 Ų | 44 | 27.1 Ų | 27.1 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | trans | -84 | 143.7 | -176.4 | -60.4 | 172.9 | -67.4 | -176.6 | -2.5 | 110.8 | H664 R688 D689 Q691 H697 Y698 D726 | H664-R693 PolarHBondContact NE2-O 3.04Å; R688-R693 WeakPolarHBondContact CA-O 3.3Å; D689-R693 PolarHBondContact N-O 2.98Å; D689-R693 WeakPolarHBondContact OD1-CB 3.2Å; D689-R693 PolarHBondContact OD1-N 3.22Å; D689-R693 IonicContact OD1-NE 3.93Å; D689-R693 IonicContact OD2-CZ 3.81Å; D689-R693 VanDerWaalsContact OD2-CZ 3.32Å; D689-R693 IonicContact OD2-NE 3.47Å; D689-R693 PolarHBondContact OD2-NE 3.39Å; D689-R693 IonicContact OD2-NH2 2.87Å; D689-R693 PolarHBondContact OD2-NH2 3.32Å; Q691-R693 VanDerWaalsContact C-N 3.26Å; Q691-R693 HydrophobicContact CB-CG 4.32Å; Q691-R693 PolarHBondContact O-N 3.15Å; R693-H697 HydrophobicContact CB-CB 4.11Å; R693-Y698 HydrophobicContact CB-CE2 4.13Å; R693-Y698 PolarHBondContact NE-OH 2.88Å; R693-Y698 PolarHBondContact NH2-OH 3.28Å; R693-D726 HydrophobicContact CG-CB 3.7Å | ||
| 694 | T | 90.1 | Very high | 89 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | trans | -99.3 | 166.5 | 175.7 | 64.6 | 0 | 0 | 0 | 0 | 111 | R688 L696 H697 L724 | R688-T694 HydrophobicContact CG-CG2 3.87Å; T694-L696 PolarHBondContact O-N 2.85Å; T694-L696 VanDerWaalsContact O-N 3.15Å; T694-H697 PolarHBondContact N-ND1 3.38Å; T694-H697 VanDerWaalsContact N-ND1 3.15Å; T694-H697 WeakPolarHBondContact O-CB 3.42Å; T694-H697 PolarHBondContact O-N 3.1Å; T694-H697 PolarHBondContact OG1-ND1 3.07Å; T694-L724 HydrophobicContact CG2-CD2 4.15Å | ||
| 695 | P | 90.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.2 | -32.4 | 172.5 | -26.7 | 35.8 | 0 | 0 | 0 | 113.4 | L663 H664 A667 P685 C687 H697 Y698 A699 L711 | L663-P695 HydrophobicContact CB-CG 4.21Å; L663-P695 HydrophobicContact CD2-CB 4.41Å; L663-P695 HydrophobicContact CD2-CG 4.05Å; L663-P695 HydrophobicContact CG-CB 4.11Å; L663-P695 HydrophobicContact CG-CG 4.02Å; H664-P695 WeakPolarHBondContact NE2-CD 3.35Å; A667-P695 HydrophobicContact CB-CB 3.99Å; A667-P695 WeakPolarHBondContact CB-O 3.46Å; P685-P695 WeakPolarHBondContact O-CD 3.37Å; C687-P695 WeakPolarHBondContact O-CD 3.49Å; P695-H697 VanDerWaalsContact C-N 3.3Å; P695-H697 PolarHBondContact O-N 2.99Å; P695-Y698 PolarHBondContact O-N 2.88Å; P695-Y698 VanDerWaalsContact O-N 3.13Å; P695-A699 PolarHBondContact O-N 3.2Å; P695-L711 HydrophobicContact CB-CD1 4.12Å |
| 696 | L | 89.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.1 | -38.7 | 175.6 | -77.5 | 78.1 | 0 | 0 | 0 | 112.2 | P685 T694 Y698 A699 A700 L708 L711 V712 L724 P732 | P685-L696 HydrophobicContact CB-CD1 4.12Å; T694-L696 PolarHBondContact O-N 2.85Å; T694-L696 VanDerWaalsContact O-N 3.15Å; L696-Y698 VanDerWaalsContact C-N 3.28Å; L696-Y698 PolarHBondContact O-N 3.38Å; L696-A699 PolarHBondContact O-N 3.07Å; L696-A700 WeakPolarHBondContact O-CB 3.4Å; L696-A700 PolarHBondContact O-N 3.21Å; L696-L708 HydrophobicContact CB-CD1 4.36Å; L696-L708 HydrophobicContact CG-CD1 4.41Å; L696-L711 HydrophobicContact CD1-CB 3.83Å; L696-L711 HydrophobicContact CD1-CD1 4.37Å; L696-L711 HydrophobicContact CG-CB 3.97Å; L696-L711 HydrophobicContact CG-CD1 4.5Å; L696-V712 HydrophobicContact CD2-CG2 3.69Å; L696-L724 HydrophobicContact CD2-CD1 3.88Å; L696-P732 HydrophobicContact CB-CG 4.11Å |
| 697 | H | 89.8 | Confident | 89.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 177 | -68.3 | 79.6 | 0 | 0 | 0 | 111.5 | R693 T694 P695 S701 L724 Y730 W735 | R693-H697 HydrophobicContact CB-CB 4.11Å; T694-H697 PolarHBondContact N-ND1 3.38Å; T694-H697 VanDerWaalsContact N-ND1 3.15Å; T694-H697 WeakPolarHBondContact O-CB 3.42Å; T694-H697 PolarHBondContact O-N 3.1Å; T694-H697 PolarHBondContact OG1-ND1 3.07Å; P695-H697 VanDerWaalsContact C-N 3.3Å; P695-H697 PolarHBondContact O-N 2.99Å; H697-S701 WeakPolarHBondContact O-CB 3.49Å; H697-S701 PolarHBondContact O-N 3.44Å; H697-L724 PolarHBondContact CE1-O 3.23Å; H697-L724 PolarHBondContact NE2-O 3.11Å; H697-Y730 PolarHBondContact NE2-O 3.45Å; H697-W735 AromaticContact CD2-CD1 3.71Å; H697-W735 AromaticContact CD2-NE1 3.89Å |
| 698 | Y | 91.1 | Very high | 89.7 | Confident | 30 Ų | 30 | 33.3 Ų | 33.3 | 12% | 0.118 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -72.2 | -44.2 | 178.8 | -75 | -77 | 0 | 0 | 0 | 112.1 | H660 H664 V668 D689 R693 P695 L696 A700 S701 R702 | H660-Y698 PolarHBondContact NE2-OH 2.89Å; H660-Y698 VanDerWaalsContact NE2-OH 3.09Å; H664-Y698 AromaticContact CD2-CD2 3.81Å; H664-Y698 AromaticContact CD2-CE2 3.74Å; V668-Y698 HydrophobicContact CG2-CD1 3.3Å; V668-Y698 HydrophobicContact CG2-CE1 3.96Å; V668-Y698 HydrophobicContact CG2-CG 3.6Å; D689-Y698 PolarHBondContact OD2-OH 3.18Å; R693-Y698 HydrophobicContact CB-CE2 4.13Å; R693-Y698 PolarHBondContact NE-OH 2.88Å; R693-Y698 PolarHBondContact NH2-OH 3.28Å; P695-Y698 PolarHBondContact O-N 2.88Å; P695-Y698 VanDerWaalsContact O-N 3.13Å; L696-Y698 VanDerWaalsContact C-N 3.28Å; L696-Y698 PolarHBondContact O-N 3.38Å; Y698-A700 PolarHBondContact O-N 2.68Å; Y698-S701 PolarHBondContact O-N 3.45Å; Y698-R702 WeakPolarHBondContact O-CB 3.29Å; Y698-R702 VanDerWaalsContact O-CG 3.3Å; Y698-R702 WeakPolarHBondContact O-CG 3.45Å; Y698-R702 PolarHBondContact O-N 3.35Å |
| 699 | A | 92.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | A667 P695 L696 S701 R702 G703 H704 I707 L708 L711 | A667-A699 HydrophobicContact CB-CB 4.21Å; A667-A699 WeakPolarHBondContact O-CA 3.5Å; A667-A699 PolarHBondContact O-N 2.98Å; P695-A699 PolarHBondContact O-N 3.2Å; L696-A699 PolarHBondContact O-N 3.07Å; A699-S701 PolarHBondContact O-N 3.46Å; A699-R702 PolarHBondContact O-N 3.47Å; A699-G703 PolarHBondContact O-N 2.79Å; A699-H704 PolarHBondContact O-N 3.36Å; A699-H704 VanDerWaalsContact O-N 3.15Å; A699-I707 HydrophobicContact CB-CG2 3.9Å; A699-L708 HydrophobicContact CB-CB 4.26Å; A699-L708 HydrophobicContact CB-CD1 4.13Å; A699-L711 HydrophobicContact CB-CD1 4.19Å |
| 700 | A | 90.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L696 Y698 R702 L708 P732 A736 H741 L748 | L696-A700 WeakPolarHBondContact O-CB 3.4Å; L696-A700 PolarHBondContact O-N 3.21Å; Y698-A700 PolarHBondContact O-N 2.68Å; A700-R702 VanDerWaalsContact C-N 3.3Å; A700-R702 PolarHBondContact O-N 3.26Å; A700-L708 HydrophobicContact CB-CD1 4.31Å; A700-L708 HydrophobicContact CB-CD2 4.41Å; A700-P732 HydrophobicContact CB-CB 3.94Å; A700-P732 WeakPolarHBondContact CB-O 3.42Å; A700-A736 HydrophobicContact CB-CB 4.18Å; A700-A736 WeakPolarHBondContact O-CA 3.21Å; A700-H741 PolarHBondContact O-CD2 2.92Å; A700-H741 VanDerWaalsContact O-CD2 3.29Å; A700-L748 HydrophobicContact CB-CD1 4.22Å |
| 701 | S | 91.1 | Very high | 89.6 | Confident | 20 Ų | 20 | 29.9 Ų | 29.9 | 14% | 0.14 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -72.7 | -19.7 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 113.9 | H697 Y698 A699 H741 | H697-S701 WeakPolarHBondContact O-CB 3.49Å; H697-S701 PolarHBondContact O-N 3.44Å; Y698-S701 PolarHBondContact O-N 3.45Å; A699-S701 PolarHBondContact O-N 3.46Å; S701-H741 PolarHBondContact O-NE2 3.21Å |
| 702 | R | 91.3 | Very high | 89.6 | Confident | 137 Ų | 137 | 26.6 Ų | 26.6 | 52% | 0.517 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -105.6 | -13.3 | -176.7 | -68 | -63.8 | -165.4 | 109.4 | -2.9 | 113.3 | V668 Y698 A699 A700 | V668-R702 WeakPolarHBondContact O-CG 3.12Å; V668-R702 PolarHBondContact O-NH1 3.37Å; Y698-R702 WeakPolarHBondContact O-CB 3.29Å; Y698-R702 VanDerWaalsContact O-CG 3.3Å; Y698-R702 WeakPolarHBondContact O-CG 3.45Å; Y698-R702 PolarHBondContact O-N 3.35Å; A699-R702 PolarHBondContact O-N 3.47Å; A700-R702 VanDerWaalsContact C-N 3.3Å; A700-R702 PolarHBondContact O-N 3.26Å |
| 703 | G | 90.4 | Very high | 89.5 | Confident | 22 Ų | 22 | 32.2 Ų | 32.2 | 23% | 0.227 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.6 | 20.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | A699 T705 H741 C744 | A699-G703 PolarHBondContact O-N 2.79Å; G703-T705 PolarHBondContact O-N 3.23Å; G703-H741 PolarHBondContact N-CD2 3.26Å; G703-H741 PolarHBondContact N-NE2 3.44Å; G703-C744 VanDerWaalsContact CA-SG 3.51Å |
| 704 | H | 92.9 | Very high | 89.2 | Confident | 45 Ų | 45 | 32.3 Ų | 32.3 | 21% | 0.208 | 17% | 0.168 | C | C | . | . | trans | -86.6 | 90.2 | -176.9 | -60.4 | -47 | 0 | 0 | 0 | 110.8 | A667 V668 G670 A699 I707 L708 | A667-H704 PolarHBondContact O-CD2 3.32Å; A667-H704 VanDerWaalsContact O-CD2 3.28Å; V668-H704 PolarHBondContact O-NE2 2.9Å; G670-H704 WeakPolarHBondContact CA-CE1 3.21Å; G670-H704 VanDerWaalsContact CA-NE2 3.31Å; G670-H704 WeakPolarHBondContact CA-NE2 3.41Å; G670-H704 PolarHBondContact N-NE2 3.06Å; A699-H704 PolarHBondContact O-N 3.36Å; A699-H704 VanDerWaalsContact O-N 3.15Å; H704-I707 HydrophobicContact CB-CB 4.14Å; H704-I707 HydrophobicContact CB-CD1 4.08Å; H704-L708 WeakPolarHBondContact O-CB 3.38Å; H704-L708 PolarHBondContact O-N 3.12Å | ||
| 705 | T | 89.8 | Confident | 88.9 | Confident | 43 Ų | 43 | 32.3 Ų | 32.3 | 26% | 0.264 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -66.4 | -46.5 | -171.1 | 52 | 0 | 0 | 0 | 0 | 113.5 | G703 L708 A709 D743 | G703-T705 PolarHBondContact O-N 3.23Å; T705-L708 WeakPolarHBondContact O-CB 3.47Å; T705-L708 PolarHBondContact O-N 3.46Å; T705-A709 WeakPolarHBondContact O-CB 3.28Å; T705-A709 PolarHBondContact O-N 2.93Å; T705-D743 HydrophobicContact CG2-CB 3.36Å |
| 706 | E | 87.6 | Confident | 88.2 | Confident | 131 Ų | 131 | 34.4 Ų | 34.4 | 61% | 0.612 | 18% | 0.179 | S | C | * | . | H | α-helix | trans | -68.5 | -44.3 | -177.3 | -61.2 | -170.8 | 175.9 | 0 | 0 | 112 | L708 A709 S710 | E706-L708 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 2.87Å; E706-A709 PolarHBondContact O-N 2.96Å; E706-S710 WeakPolarHBondContact O-CB 3.31Å; E706-S710 PolarHBondContact O-N 2.82Å; E706-S710 PolarHBondContact O-OG 3.29Å |
| 707 | I | 89.6 | Confident | 87.5 | Confident | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.3 | -46 | 169.6 | -78.8 | 153.8 | 0 | 0 | 0 | 110.8 | A667 D672 V675 A699 H704 A709 S710 L711 | A667-I707 HydrophobicContact CB-CG2 4.29Å; D672-I707 HydrophobicContact CB-CG1 4.44Å; D672-I707 WeakPolarHBondContact OD1-CD1 3.5Å; D672-I707 WeakPolarHBondContact OD1-CG1 3.47Å; V675-I707 HydrophobicContact CB-CG1 4.06Å; V675-I707 HydrophobicContact CG1-CG1 4.18Å; V675-I707 HydrophobicContact CG1-CG2 4.2Å; V675-I707 HydrophobicContact CG2-CD1 4.18Å; V675-I707 HydrophobicContact CG2-CG1 4.03Å; V675-I707 HydrophobicContact CG2-CG2 4.43Å; A699-I707 HydrophobicContact CB-CG2 3.9Å; H704-I707 HydrophobicContact CB-CB 4.14Å; H704-I707 HydrophobicContact CB-CD1 4.08Å; I707-A709 PolarHBondContact O-N 3.39Å; I707-S710 PolarHBondContact O-N 3.47Å; I707-L711 HydrophobicContact CG2-CD1 3.52Å; I707-L711 HydrophobicContact CG2-CG 4.07Å; I707-L711 WeakPolarHBondContact O-CB 3.36Å; I707-L711 WeakPolarHBondContact O-CG 3.38Å; I707-L711 PolarHBondContact O-N 2.88Å |
| 708 | L | 89.5 | Confident | 86.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | -179 | -174.4 | 64.5 | 0 | 0 | 0 | 111.5 | L696 A699 A700 H704 T705 E706 S710 L711 V712 C744 L748 | L696-L708 HydrophobicContact CB-CD1 4.36Å; L696-L708 HydrophobicContact CG-CD1 4.41Å; A699-L708 HydrophobicContact CB-CB 4.26Å; A699-L708 HydrophobicContact CB-CD1 4.13Å; A700-L708 HydrophobicContact CB-CD1 4.31Å; A700-L708 HydrophobicContact CB-CD2 4.41Å; H704-L708 WeakPolarHBondContact O-CB 3.38Å; H704-L708 PolarHBondContact O-N 3.12Å; T705-L708 WeakPolarHBondContact O-CB 3.47Å; T705-L708 PolarHBondContact O-N 3.46Å; E706-L708 VanDerWaalsContact C-N 3.33Å; E706-L708 PolarHBondContact O-N 2.87Å; L708-S710 VanDerWaalsContact C-N 3.34Å; L708-S710 PolarHBondContact O-N 2.95Å; L708-L711 PolarHBondContact O-N 3.29Å; L708-V712 HydrophobicContact CD1-CG2 4.31Å; L708-V712 HydrophobicContact CG-CG2 4.42Å; L708-V712 WeakPolarHBondContact O-CB 3.41Å; L708-V712 WeakPolarHBondContact O-CG2 3.35Å; L708-V712 PolarHBondContact O-N 3.39Å; L708-C744 HydrophobicContact CD2-CB 3.6Å; L708-L748 HydrophobicContact CD1-CD2 4.14Å; L708-L748 HydrophobicContact CD2-CD1 3.96Å; L708-L748 HydrophobicContact CD2-CD2 4.3Å; L708-L748 HydrophobicContact CD2-CG 3.81Å; L708-L748 HydrophobicContact CG-CD2 4.33Å; L708-L748 HydrophobicContact CG-CG 4.36Å |
| 709 | A | 88.4 | Confident | 86 | Confident | 26 Ų | 26 | 44 Ų | 44 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T705 E706 I707 V712 Q713 V747 | T705-A709 WeakPolarHBondContact O-CB 3.28Å; T705-A709 PolarHBondContact O-N 2.93Å; E706-A709 PolarHBondContact O-N 2.96Å; I707-A709 PolarHBondContact O-N 3.39Å; A709-V712 PolarHBondContact O-N 3.07Å; A709-Q713 VanDerWaalsContact O-CG 3.3Å; A709-Q713 WeakPolarHBondContact O-CG 3.28Å; A709-Q713 PolarHBondContact O-N 2.94Å; A709-V747 HydrophobicContact CB-CG1 3.85Å |
| 710 | S | 88.2 | Confident | 84.7 | Confident | 50 Ų | 50 | 47.7 Ų | 47.7 | 35% | 0.35 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 178.9 | -61.2 | 0 | 0 | 0 | 0 | 112.1 | E706 I707 L708 V714 | E706-S710 WeakPolarHBondContact O-CB 3.31Å; E706-S710 PolarHBondContact O-N 2.82Å; E706-S710 PolarHBondContact O-OG 3.29Å; I707-S710 PolarHBondContact O-N 3.47Å; L708-S710 VanDerWaalsContact C-N 3.34Å; L708-S710 PolarHBondContact O-N 2.95Å; S710-V714 WeakPolarHBondContact O-CG2 3.25Å; S710-V714 PolarHBondContact O-N 3.42Å |
| 711 | L | 87.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 176.6 | -73.3 | 173.6 | 0 | 0 | 0 | 111.9 | L663 A667 V675 L679 P685 P695 L696 A699 I707 L708 V714 T715 | L663-L711 HydrophobicContact CD1-CD2 4.02Å; L663-L711 HydrophobicContact CD2-CD2 3.78Å; L663-L711 HydrophobicContact CG-CD2 4.01Å; A667-L711 HydrophobicContact CB-CD1 4.31Å; V675-L711 HydrophobicContact CG1-CD2 4.49Å; L679-L711 HydrophobicContact CD1-CD2 4.3Å; L679-L711 HydrophobicContact CD2-CD2 4.17Å; P685-L711 HydrophobicContact CB-CD2 3.98Å; P695-L711 HydrophobicContact CB-CD1 4.12Å; L696-L711 HydrophobicContact CD1-CB 3.83Å; L696-L711 HydrophobicContact CD1-CD1 4.37Å; L696-L711 HydrophobicContact CG-CB 3.97Å; L696-L711 HydrophobicContact CG-CD1 4.5Å; A699-L711 HydrophobicContact CB-CD1 4.19Å; I707-L711 HydrophobicContact CG2-CD1 3.52Å; I707-L711 HydrophobicContact CG2-CG 4.07Å; I707-L711 WeakPolarHBondContact O-CB 3.36Å; I707-L711 WeakPolarHBondContact O-CG 3.38Å; I707-L711 PolarHBondContact O-N 2.88Å; L708-L711 PolarHBondContact O-N 3.29Å; L711-V714 PolarHBondContact O-N 3.07Å; L711-T715 WeakPolarHBondContact O-CB 3.49Å; L711-T715 PolarHBondContact O-N 2.87Å; L711-T715 PolarHBondContact O-OG1 3.34Å |
| 712 | V | 85.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 179.7 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | L696 L708 A709 V714 T715 M716 L748 F751 F754 | L696-V712 HydrophobicContact CD2-CG2 3.69Å; L708-V712 HydrophobicContact CD1-CG2 4.31Å; L708-V712 HydrophobicContact CG-CG2 4.42Å; L708-V712 WeakPolarHBondContact O-CB 3.41Å; L708-V712 WeakPolarHBondContact O-CG2 3.35Å; L708-V712 PolarHBondContact O-N 3.39Å; A709-V712 PolarHBondContact O-N 3.07Å; V712-V714 VanDerWaalsContact C-N 3.34Å; V712-V714 PolarHBondContact O-N 2.85Å; V712-T715 PolarHBondContact O-N 3.39Å; V712-M716 HydrophobicContact CG1-CG 4.42Å; V712-M716 VanDerWaalsContact O-CG 3.32Å; V712-M716 WeakPolarHBondContact O-CG 3.49Å; V712-M716 PolarHBondContact O-N 3.08Å; V712-L748 HydrophobicContact CG2-CD2 3.94Å; V712-F751 HydrophobicContact CG1-CB 4.31Å; V712-F751 HydrophobicContact CG1-CD1 4.3Å; V712-F751 HydrophobicContact CG1-CD2 3.46Å; V712-F751 VanDerWaalsContact CG1-CD2 3.46Å; V712-F751 HydrophobicContact CG1-CE2 3.81Å; V712-F751 HydrophobicContact CG1-CG 3.76Å; V712-F751 HydrophobicContact CG1-CZ 4.35Å; V712-F754 HydrophobicContact CG1-CE2 3.93Å; V712-F754 HydrophobicContact CG1-CZ 4.23Å |
| 713 | Q | 84.2 | Confident | 81.4 | Confident | 125 Ų | 125 | 56 Ų | 56 | 58% | 0.584 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -57.1 | -46.5 | 175.7 | -74.7 | 174.3 | 13.3 | 0 | 0 | 111.9 | A709 A717 | A709-Q713 VanDerWaalsContact O-CG 3.3Å; A709-Q713 WeakPolarHBondContact O-CG 3.28Å; A709-Q713 PolarHBondContact O-N 2.94Å; Q713-A717 PolarHBondContact O-N 3.26Å |
| 714 | V | 83.9 | Confident | 80.7 | Confident | 46 Ų | 46 | 55 Ų | 55 | 28% | 0.279 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70 | -41 | 179.1 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | L679 P685 S710 L711 V712 M716 A717 T718 | L679-V714 HydrophobicContact CD1-CG2 4.28Å; L679-V714 HydrophobicContact CD2-CB 4.43Å; L679-V714 HydrophobicContact CD2-CG1 4.35Å; L679-V714 HydrophobicContact CD2-CG2 4.23Å; P685-V714 HydrophobicContact CG-CB 4.32Å; P685-V714 HydrophobicContact CG-CG1 3.92Å; S710-V714 WeakPolarHBondContact O-CG2 3.25Å; S710-V714 PolarHBondContact O-N 3.42Å; L711-V714 PolarHBondContact O-N 3.07Å; V712-V714 VanDerWaalsContact C-N 3.34Å; V712-V714 PolarHBondContact O-N 2.85Å; V714-M716 VanDerWaalsContact C-N 3.33Å; V714-M716 PolarHBondContact O-N 3.33Å; V714-A717 WeakPolarHBondContact O-CB 3.21Å; V714-A717 PolarHBondContact O-N 2.94Å; V714-A717 VanDerWaalsContact O-N 3.1Å; V714-T718 HydrophobicContact CG1-CG2 4.34Å; V714-T718 PolarHBondContact O-N 3.09Å; V714-T718 PolarHBondContact O-OG1 3.42Å |
| 715 | T | 82.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -45.4 | 177 | -68 | 0 | 0 | 0 | 0 | 112 | P685 L686 L711 V712 A717 T718 D719 | P685-T715 WeakPolarHBondContact CG-OG1 3.39Å; L686-T715 HydrophobicContact CD2-CG2 3.79Å; L711-T715 WeakPolarHBondContact O-CB 3.49Å; L711-T715 PolarHBondContact O-N 2.87Å; L711-T715 PolarHBondContact O-OG1 3.34Å; V712-T715 PolarHBondContact O-N 3.39Å; T715-A717 VanDerWaalsContact C-N 3.28Å; T715-A717 PolarHBondContact O-N 3.44Å; T715-T718 WeakPolarHBondContact CA-OG1 3.36Å; T715-T718 PolarHBondContact O-N 3.28Å; T715-T718 VanDerWaalsContact O-N 3.13Å; T715-T718 PolarHBondContact O-OG1 3.1Å; T715-D719 PolarHBondContact O-N 2.98Å |
| 716 | M | 75.4 | Confident | 79.9 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 22% | 0.217 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.8 | -31.3 | 177.3 | -67.6 | -69.3 | 93.7 | 0 | 0 | 113.1 | V712 V714 T753 F754 | V712-M716 HydrophobicContact CG1-CG 4.42Å; V712-M716 VanDerWaalsContact O-CG 3.32Å; V712-M716 WeakPolarHBondContact O-CG 3.49Å; V712-M716 PolarHBondContact O-N 3.08Å; V714-M716 VanDerWaalsContact C-N 3.33Å; V714-M716 PolarHBondContact O-N 3.33Å; M716-T753 HydrophobicContact SD-CG2 4.17Å; M716-F754 HydrophobicContact CE-CE1 4.29Å; M716-F754 HydrophobicContact CE-CZ 3.89Å |
| 717 | A | 76.5 | Confident | 79.7 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 73% | 0.727 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -73.1 | -30.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q713 V714 T715 | Q713-A717 PolarHBondContact O-N 3.26Å; V714-A717 WeakPolarHBondContact O-CB 3.21Å; V714-A717 PolarHBondContact O-N 2.94Å; V714-A717 VanDerWaalsContact O-N 3.1Å; T715-A717 VanDerWaalsContact C-N 3.28Å; T715-A717 PolarHBondContact O-N 3.44Å |
| 718 | T | 74.6 | Confident | 79.3 | Confident | 77 Ų | 77 | 58.5 Ų | 58.5 | 47% | 0.472 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -85.1 | -50.9 | -177.5 | 50.9 | 0 | 0 | 0 | 0 | 114.2 | V714 T715 | V714-T718 HydrophobicContact CG1-CG2 4.34Å; V714-T718 PolarHBondContact O-N 3.09Å; V714-T718 PolarHBondContact O-OG1 3.42Å; T715-T718 WeakPolarHBondContact CA-OG1 3.36Å; T715-T718 PolarHBondContact O-N 3.28Å; T715-T718 VanDerWaalsContact O-N 3.13Å; T715-T718 PolarHBondContact O-OG1 3.1Å |
| 719 | D | 73.2 | Confident | 78.9 | Confident | 66 Ų | 66 | 62.6 Ų | 62.6 | 35% | 0.353 | 34% | 0.337 | S | S | . | . | trans | -156.8 | 103.7 | 178.5 | -172.2 | -6.3 | 0 | 0 | 0 | 109.7 | L686 T715 Q721 | L686-D719 HydrophobicContact CD1-CB 3.87Å; T715-D719 PolarHBondContact O-N 2.98Å; D719-Q721 PolarHBondContact O-N 3.09Å; D719-Q721 PolarHBondContact OD1-N 2.9Å | ||
| 720 | P | 65.5 | Low | 78.7 | Confident | 78 Ų | 78 | 63.9 Ų | 63.9 | 51% | 0.506 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -4.5 | 179.9 | 30.7 | -34.3 | 0 | 0 | 0 | 113.7 | ||
| 721 | Q | 65.3 | Low | 78.6 | Confident | 170 Ų | 170 | 62.4 Ų | 62.4 | 79% | 0.794 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.9 | -3.8 | -176.1 | -80.9 | 166 | -20.6 | 0 | 0 | 114.4 | D719 K723 | D719-Q721 PolarHBondContact O-N 3.09Å; D719-Q721 PolarHBondContact OD1-N 2.9Å; Q721-K723 PolarHBondContact O-N 3.28Å |
| 722 | D | 71.5 | Confident | 78.6 | Confident | 38 Ų | 38 | 62.5 Ų | 62.5 | 20% | 0.203 | 33% | 0.326 | C | S | . | . | trans | -67.6 | 121.2 | 172.8 | -168.7 | -18.7 | 0 | 0 | 0 | 110.3 | L686 R688 L724 | L686-D722 HydrophobicContact CD2-CB 4.16Å; R688-D722 IonicContact CZ-OD1 2.74Å; R688-D722 IonicContact NE-OD2 3.93Å; R688-D722 IonicContact NH2-OD1 3.97Å; R688-D722 PolarHBondContact NH2-OD1 2.99Å; R688-D722 IonicContact NH2-OD2 3.88Å; R688-D722 PolarHBondContact NH2-OD2 3.17Å; D722-L724 HydrophobicContact CB-CD2 4.5Å; D722-L724 PolarHBondContact O-N 3.2Å; D722-L724 PolarHBondContact OD1-N 3.16Å | ||
| 723 | K | 66.6 | Low | 78.6 | Confident | 124 Ų | 124 | 62.8 Ų | 62.8 | 54% | 0.539 | 33% | 0.328 | S | S | . | . | trans | -71.2 | -10.2 | -177.8 | -60.2 | -172.9 | 176.9 | -167.4 | 0 | 113.8 | Q721 L725 E758 | Q721-K723 PolarHBondContact O-N 3.28Å; K723-L725 HydrophobicContact CB-CD1 3.87Å; K723-L725 HydrophobicContact CB-CG 4.05Å; K723-L725 HydrophobicContact CD-CD1 4.22Å; K723-L725 PolarHBondContact O-N 2.8Å; K723-L725 VanDerWaalsContact O-N 3.13Å; K723-E758 IonicContact NZ-OE2 3.77Å | ||
| 724 | L | 77.1 | Confident | 78.7 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.005 | 31% | 0.305 | C | S | . | . | trans | 50.3 | 38.1 | 179.1 | -58.7 | -176.6 | 0 | 0 | 0 | 114.1 | L686 T694 L696 H697 D722 P732 F754 | L686-L724 HydrophobicContact CD2-CD2 3.94Å; T694-L724 HydrophobicContact CG2-CD2 4.15Å; L696-L724 HydrophobicContact CD2-CD1 3.88Å; H697-L724 PolarHBondContact CE1-O 3.23Å; H697-L724 PolarHBondContact NE2-O 3.11Å; D722-L724 HydrophobicContact CB-CD2 4.5Å; D722-L724 PolarHBondContact O-N 3.2Å; D722-L724 PolarHBondContact OD1-N 3.16Å; L724-P732 HydrophobicContact CB-CG 4.44Å; L724-P732 HydrophobicContact CD1-CG 4.27Å; L724-F754 HydrophobicContact CD1-CD1 4.02Å; L724-F754 HydrophobicContact CD1-CE1 3.36Å; L724-F754 HydrophobicContact CD1-CZ 4.18Å; L724-F754 HydrophobicContact CG-CE1 4.33Å | ||
| 725 | L | 80.8 | Confident | 78.9 | Confident | 29 Ų | 29 | 58.6 Ų | 58.6 | 15% | 0.152 | 30% | 0.303 | C | S | . | . | trans | -86.6 | 130.3 | 177.9 | -66.3 | 163.4 | 0 | 0 | 0 | 110.5 | R688 K723 Q729 T731 | R688-L725 PolarHBondContact NH1-O 3.23Å; K723-L725 HydrophobicContact CB-CD1 3.87Å; K723-L725 HydrophobicContact CB-CG 4.05Å; K723-L725 HydrophobicContact CD-CD1 4.22Å; K723-L725 PolarHBondContact O-N 2.8Å; K723-L725 VanDerWaalsContact O-N 3.13Å; L725-Q729 WeakPolarHBondContact CD2-O 3.21Å; L725-T731 HydrophobicContact CD2-CG2 3.77Å | ||
| 726 | D | 83.8 | Confident | 79.3 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.037 | 30% | 0.302 | C | S | . | . | trans | -74.2 | 177.3 | 166.9 | 75.8 | 10.5 | 0 | 0 | 0 | 112 | R693 K728 Q729 Y730 W735 | R693-D726 HydrophobicContact CG-CB 3.7Å; D726-K728 PolarHBondContact O-N 3.16Å; D726-K728 VanDerWaalsContact OD1-C 3.29Å; D726-K728 VanDerWaalsContact OD1-CA 3.28Å; D726-K728 WeakPolarHBondContact OD1-CA 2.94Å; D726-K728 WeakPolarHBondContact OD1-CB 2.94Å; D726-K728 PolarHBondContact OD1-N 3.18Å; D726-Q729 PolarHBondContact O-N 3.36Å; D726-Q729 PolarHBondContact OD1-N 3.08Å; D726-Q729 VanDerWaalsContact OD1-N 3.08Å; D726-Y730 PolarHBondContact N-O 2.75Å; D726-Y730 PolarHBondContact OD1-N 2.92Å; D726-W735 PolarHBondContact OD2-NE1 2.88Å; D726-W735 VanDerWaalsContact OD2-NE1 3.17Å | ||
| 727 | N | 85.1 | Confident | 80 | Confident | 113 Ų | 113 | 56.5 Ų | 56.5 | 60% | 0.604 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -18.3 | 179.7 | -70.7 | -3.6 | 0 | 0 | 0 | 113.7 | A690 Q691 | A690-N727 PolarHBondContact O-ND2 3.41Å; Q691-N727 VanDerWaalsContact C-ND2 3.33Å; Q691-N727 WeakPolarHBondContact CA-ND2 3.26Å; Q691-N727 WeakPolarHBondContact O-CB 3.47Å; Q691-N727 PolarHBondContact O-N 3.05Å; Q691-N727 PolarHBondContact O-ND2 3.45Å; Q691-N727 PolarHBondContact O-OD1 3.13Å |
| 728 | K | 80 | Confident | 80.6 | Confident | 145 Ų | 145 | 57.4 Ų | 57.4 | 63% | 0.63 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | 7.6 | 175.4 | -63.8 | -174.9 | 179.4 | -177.3 | 0 | 112.7 | D726 Y730 | D726-K728 PolarHBondContact O-N 3.16Å; D726-K728 VanDerWaalsContact OD1-C 3.29Å; D726-K728 VanDerWaalsContact OD1-CA 3.28Å; D726-K728 WeakPolarHBondContact OD1-CA 2.94Å; D726-K728 WeakPolarHBondContact OD1-CB 2.94Å; D726-K728 PolarHBondContact OD1-N 3.18Å; K728-Y730 HydrophobicContact CB-CD2 3.58Å; K728-Y730 HydrophobicContact CB-CE2 3.72Å; K728-Y730 HydrophobicContact CD-CD2 4.22Å; K728-Y730 HydrophobicContact CD-CE2 4Å; K728-Y730 PolarHBondContact O-N 3.23Å |
| 729 | Q | 82.3 | Confident | 81.3 | Confident | 87 Ų | 87 | 58.4 Ų | 58.4 | 41% | 0.407 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 65.6 | 23.2 | -176.5 | -49.6 | -63.3 | -51.1 | 0 | 0 | 113.8 | L725 D726 | L725-Q729 WeakPolarHBondContact CD2-O 3.21Å; D726-Q729 PolarHBondContact O-N 3.36Å; D726-Q729 PolarHBondContact OD1-N 3.08Å; D726-Q729 VanDerWaalsContact OD1-N 3.08Å |
| 730 | Y | 83.6 | Confident | 82 | Confident | 52 Ų | 52 | 56.1 Ų | 56.1 | 20% | 0.204 | 27% | 0.268 | C | S | . | . | trans | -91.8 | 137 | 173.2 | -64.9 | -51 | 0 | 0 | 0 | 111.2 | H697 D726 K728 H734 D760 | H697-Y730 PolarHBondContact NE2-O 3.45Å; D726-Y730 PolarHBondContact N-O 2.75Å; D726-Y730 PolarHBondContact OD1-N 2.92Å; K728-Y730 HydrophobicContact CB-CD2 3.58Å; K728-Y730 HydrophobicContact CB-CE2 3.72Å; K728-Y730 HydrophobicContact CD-CD2 4.22Å; K728-Y730 HydrophobicContact CD-CE2 4Å; K728-Y730 PolarHBondContact O-N 3.23Å; Y730-H734 HydrophobicContact CD1-CB 4.01Å; Y730-H734 AromaticContact CD1-CD2 3.59Å; Y730-H734 AromaticContact CD1-CG 3.77Å; Y730-H734 HydrophobicContact CG-CB 4.27Å; Y730-D760 HydrophobicContact CE1-CB 4.24Å; Y730-D760 PolarHBondContact OH-OD2 3.46Å | ||
| 731 | T | 85.6 | Confident | 83.3 | Confident | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.117 | 26% | 0.255 | C | S | . | . | trans | -90.5 | 166 | 173.6 | 68.5 | 0 | 0 | 0 | 0 | 111.2 | L725 I733 H734 W735 | L725-T731 HydrophobicContact CD2-CG2 3.77Å; T731-I733 PolarHBondContact O-N 3.19Å; T731-I733 VanDerWaalsContact O-N 3.13Å; T731-H734 PolarHBondContact N-ND1 3.42Å; T731-H734 VanDerWaalsContact N-ND1 3.17Å; T731-H734 WeakPolarHBondContact O-CB 3.38Å; T731-H734 PolarHBondContact O-N 2.91Å; T731-H734 PolarHBondContact OG1-ND1 3.5Å; T731-W735 PolarHBondContact O-N 3.33Å | ||
| 732 | P | 86.6 | Confident | 84.5 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.013 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -54.4 | -32 | 174.7 | -27.6 | 36.1 | 0 | 0 | 0 | 114 | L696 A700 L724 H734 W735 A736 L748 | L696-P732 HydrophobicContact CB-CG 4.11Å; A700-P732 HydrophobicContact CB-CB 3.94Å; A700-P732 WeakPolarHBondContact CB-O 3.42Å; L724-P732 HydrophobicContact CB-CG 4.44Å; L724-P732 HydrophobicContact CD1-CG 4.27Å; P732-H734 VanDerWaalsContact C-N 3.32Å; P732-H734 PolarHBondContact O-N 3.03Å; P732-W735 PolarHBondContact O-N 3.43Å; P732-A736 PolarHBondContact O-N 3.16Å; P732-L748 HydrophobicContact CB-CD1 4.21Å |
| 733 | I | 86.6 | Confident | 85.3 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.036 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.6 | -39.7 | 175.4 | -63.4 | 178.7 | 0 | 0 | 0 | 111.2 | T731 W735 A736 A737 L745 L748 L749 F754 P764 L780 | T731-I733 PolarHBondContact O-N 3.19Å; T731-I733 VanDerWaalsContact O-N 3.13Å; I733-W735 VanDerWaalsContact C-N 3.28Å; I733-W735 PolarHBondContact O-N 2.99Å; I733-A736 PolarHBondContact O-N 3.41Å; I733-A737 WeakPolarHBondContact O-CB 3.44Å; I733-A737 PolarHBondContact O-N 2.9Å; I733-L745 HydrophobicContact CG2-CD2 3.76Å; I733-L748 HydrophobicContact CD1-CB 4.4Å; I733-L748 HydrophobicContact CG1-CB 3.94Å; I733-L748 HydrophobicContact CG1-CD1 3.94Å; I733-L748 HydrophobicContact CG1-CG 4.47Å; I733-L749 HydrophobicContact CD1-CD2 4.39Å; I733-F754 HydrophobicContact CD1-CB 3.57Å; I733-F754 HydrophobicContact CG1-CB 4.35Å; I733-P764 HydrophobicContact CB-CG 4.46Å; I733-P764 HydrophobicContact CG2-CB 3.79Å; I733-P764 HydrophobicContact CG2-CG 3.77Å; I733-L780 HydrophobicContact CG2-CD2 3.96Å |
| 734 | H | 86.7 | Confident | 86.3 | Confident | 21 Ų | 21 | 46.9 Ų | 46.9 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 177 | -67.8 | 82.9 | 0 | 0 | 0 | 111.4 | Y730 T731 P732 Y738 F762 P764 | Y730-H734 HydrophobicContact CD1-CB 4.01Å; Y730-H734 AromaticContact CD1-CD2 3.59Å; Y730-H734 AromaticContact CD1-CG 3.77Å; Y730-H734 HydrophobicContact CG-CB 4.27Å; T731-H734 PolarHBondContact N-ND1 3.42Å; T731-H734 VanDerWaalsContact N-ND1 3.17Å; T731-H734 WeakPolarHBondContact O-CB 3.38Å; T731-H734 PolarHBondContact O-N 2.91Å; T731-H734 PolarHBondContact OG1-ND1 3.5Å; P732-H734 VanDerWaalsContact C-N 3.32Å; P732-H734 PolarHBondContact O-N 3.03Å; H734-Y738 WeakPolarHBondContact O-CB 3.43Å; H734-Y738 PolarHBondContact O-N 2.98Å; H734-F762 PolarHBondContact CD2-O 2.75Å; H734-F762 PolarHBondContact NE2-O 3.34Å; H734-P764 VanDerWaalsContact NE2-CD 3.3Å; H734-P764 WeakPolarHBondContact NE2-CD 3.39Å |
| 735 | W | 88.7 | Confident | 86.7 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 24% | 0.235 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.4 | -40.9 | 179.2 | -73.2 | 90.2 | 0 | 0 | 0 | 112.5 | H697 D726 T731 P732 I733 Y738 K739 | H697-W735 AromaticContact CD2-CD1 3.71Å; H697-W735 AromaticContact CD2-NE1 3.89Å; D726-W735 PolarHBondContact OD2-NE1 2.88Å; D726-W735 VanDerWaalsContact OD2-NE1 3.17Å; T731-W735 PolarHBondContact O-N 3.33Å; P732-W735 PolarHBondContact O-N 3.43Å; I733-W735 VanDerWaalsContact C-N 3.28Å; I733-W735 PolarHBondContact O-N 2.99Å; W735-Y738 PolarHBondContact O-N 3.21Å; W735-K739 PolarHBondContact O-N 3.34Å |
| 736 | A | 90.3 | Very high | 87 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -44.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A700 P732 I733 K739 G740 H741 C744 L745 L748 | A700-A736 HydrophobicContact CB-CB 4.18Å; A700-A736 WeakPolarHBondContact O-CA 3.21Å; P732-A736 PolarHBondContact O-N 3.16Å; I733-A736 PolarHBondContact O-N 3.41Å; A736-K739 PolarHBondContact O-N 3.32Å; A736-G740 PolarHBondContact O-N 3.2Å; A736-H741 PolarHBondContact O-N 3.3Å; A736-C744 HydrophobicContact CB-CB 4.25Å; A736-L745 HydrophobicContact CB-CD2 3.73Å; A736-L745 HydrophobicContact CB-CG 3.95Å; A736-L748 HydrophobicContact CB-CD1 4.46Å |
| 737 | A | 89 | Confident | 87 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.8 | -40.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | I733 K739 G740 L745 P764 C767 A768 L780 | I733-A737 WeakPolarHBondContact O-CB 3.44Å; I733-A737 PolarHBondContact O-N 2.9Å; A737-K739 PolarHBondContact O-N 3.01Å; A737-G740 PolarHBondContact O-N 2.79Å; A737-L745 HydrophobicContact CB-CD2 4.36Å; A737-P764 HydrophobicContact CB-CB 3.97Å; A737-P764 WeakPolarHBondContact CB-O 3.38Å; A737-C767 HydrophobicContact CB-CB 4.38Å; A737-A768 HydrophobicContact CB-CB 4.23Å; A737-A768 WeakPolarHBondContact O-CA 3.36Å; A737-L780 HydrophobicContact CB-CD1 4.03Å |
| 738 | Y | 89.1 | Confident | 87 | Confident | 107 Ų | 107 | 45 Ų | 45 | 42% | 0.42 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -30 | 176.9 | -177.1 | -88.5 | 0 | 0 | 0 | 112.9 | H734 W735 N771 H773 | H734-Y738 WeakPolarHBondContact O-CB 3.43Å; H734-Y738 PolarHBondContact O-N 2.98Å; W735-Y738 PolarHBondContact O-N 3.21Å; Y738-N771 WeakPolarHBondContact CD2-ND2 3.46Å; Y738-N771 WeakPolarHBondContact CE2-ND2 3.22Å; Y738-N771 PolarHBondContact O-ND2 3.27Å; Y738-H773 PolarHBondContact O-NE2 3.2Å |
| 739 | K | 89.1 | Confident | 86.9 | Confident | 98 Ų | 98 | 39 Ų | 39 | 43% | 0.426 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -100.7 | -7 | 179.6 | -65.5 | -61.4 | -173.2 | 179.9 | 0 | 114.5 | W735 A736 A737 H741 | W735-K739 PolarHBondContact O-N 3.34Å; A736-K739 PolarHBondContact O-N 3.32Å; A737-K739 PolarHBondContact O-N 3.01Å; K739-H741 VanDerWaalsContact CB-CD2 3.47Å; K739-H741 WeakPolarHBondContact CB-CD2 3.3Å; K739-H741 WeakPolarHBondContact CB-NE2 3.31Å |
| 740 | G | 89.4 | Confident | 86.7 | Confident | 19 Ų | 19 | 41.8 Ų | 41.8 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.1 | 29.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | A736 A737 E742 H773 | A736-G740 PolarHBondContact O-N 3.2Å; A737-G740 PolarHBondContact O-N 2.79Å; G740-E742 PolarHBondContact O-N 3.14Å; G740-H773 VanDerWaalsContact CA-CG 3.49Å; G740-H773 PolarHBondContact N-CD2 3.15Å; G740-H773 VanDerWaalsContact N-CD2 3.31Å |
| 741 | H | 92.8 | Very high | 85.9 | Confident | 53 Ų | 53 | 42.4 Ų | 42.4 | 25% | 0.245 | 20% | 0.201 | C | C | . | . | trans | -84 | 91 | 179.1 | -63.1 | -51.6 | 0 | 0 | 0 | 111.1 | A700 S701 G703 A736 K739 C744 L745 | A700-H741 PolarHBondContact O-CD2 2.92Å; A700-H741 VanDerWaalsContact O-CD2 3.29Å; S701-H741 PolarHBondContact O-NE2 3.21Å; G703-H741 PolarHBondContact N-CD2 3.26Å; G703-H741 PolarHBondContact N-NE2 3.44Å; A736-H741 PolarHBondContact O-N 3.3Å; K739-H741 VanDerWaalsContact CB-CD2 3.47Å; K739-H741 WeakPolarHBondContact CB-CD2 3.3Å; K739-H741 WeakPolarHBondContact CB-NE2 3.31Å; H741-C744 HydrophobicContact CB-CB 3.94Å; H741-C744 PolarHBondContact O-N 3.4Å; H741-L745 WeakPolarHBondContact O-CG 3.48Å; H741-L745 PolarHBondContact O-N 2.99Å; H741-L745 VanDerWaalsContact O-N 3.16Å | ||
| 742 | E | 89.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.1 | -51.1 | -175.6 | -63.7 | -179.7 | -163.9 | 0 | 0 | 113.1 | G740 C744 L745 E746 G775 A776 R779 | G740-E742 PolarHBondContact O-N 3.14Å; E742-C744 VanDerWaalsContact C-N 3.29Å; E742-C744 PolarHBondContact O-N 3.12Å; E742-L745 WeakPolarHBondContact O-CA 3.21Å; E742-L745 VanDerWaalsContact O-CB 3.3Å; E742-L745 WeakPolarHBondContact O-CB 3.5Å; E742-L745 PolarHBondContact O-N 3.36Å; E742-E746 PolarHBondContact O-N 3.15Å; E742-G775 VanDerWaalsContact OE1-CA 3.32Å; E742-G775 WeakPolarHBondContact OE1-CA 3.27Å; E742-A776 HydrophobicContact CG-CB 4.43Å; E742-R779 IonicContact OE2-CZ 3.9Å; E742-R779 IonicContact OE2-NH1 3.58Å; E742-R779 IonicContact OE2-NH2 3.74Å; E742-R779 PolarHBondContact OE2-NH2 3.47Å |
| 743 | D | 88 | Confident | 83.1 | Confident | 95 Ų | 95 | 52.7 Ų | 52.7 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64 | -35.4 | -177.3 | -55.7 | -19.9 | 0 | 0 | 0 | 111.8 | T705 L745 E746 V747 | T705-D743 HydrophobicContact CG2-CB 3.36Å; D743-L745 VanDerWaalsContact C-N 3.3Å; D743-L745 PolarHBondContact O-N 3.28Å; D743-E746 PolarHBondContact O-N 2.94Å; D743-V747 WeakPolarHBondContact O-CG2 3.38Å; D743-V747 PolarHBondContact O-N 3.17Å; D743-V747 VanDerWaalsContact O-N 3.12Å |
| 744 | C | 88.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.007 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 173.3 | -71.6 | 0 | 0 | 0 | 0 | 112 | G703 L708 A736 H741 E742 L748 | G703-C744 VanDerWaalsContact CA-SG 3.51Å; L708-C744 HydrophobicContact CD2-CB 3.6Å; A736-C744 HydrophobicContact CB-CB 4.25Å; H741-C744 HydrophobicContact CB-CB 3.94Å; H741-C744 PolarHBondContact O-N 3.4Å; E742-C744 VanDerWaalsContact C-N 3.29Å; E742-C744 PolarHBondContact O-N 3.12Å; C744-L748 WeakPolarHBondContact O-CB 3.45Å; C744-L748 VanDerWaalsContact O-CG 3.25Å; C744-L748 WeakPolarHBondContact O-CG 3.43Å; C744-L748 PolarHBondContact O-N 2.91Å |
| 745 | L | 86.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -67.6 | -43.6 | 174.8 | -70.7 | 168.5 | 0 | 0 | 0 | 110.4 | I733 A736 A737 H741 E742 D743 V747 L748 L749 A776 L780 | I733-L745 HydrophobicContact CG2-CD2 3.76Å; A736-L745 HydrophobicContact CB-CD2 3.73Å; A736-L745 HydrophobicContact CB-CG 3.95Å; A737-L745 HydrophobicContact CB-CD2 4.36Å; H741-L745 WeakPolarHBondContact O-CG 3.48Å; H741-L745 PolarHBondContact O-N 2.99Å; H741-L745 VanDerWaalsContact O-N 3.16Å; E742-L745 WeakPolarHBondContact O-CA 3.21Å; E742-L745 VanDerWaalsContact O-CB 3.3Å; E742-L745 WeakPolarHBondContact O-CB 3.5Å; E742-L745 PolarHBondContact O-N 3.36Å; D743-L745 VanDerWaalsContact C-N 3.3Å; D743-L745 PolarHBondContact O-N 3.28Å; L745-V747 PolarHBondContact O-N 2.86Å; L745-L748 PolarHBondContact O-N 3.44Å; L745-L749 HydrophobicContact CB-CD1 4.02Å; L745-L749 WeakPolarHBondContact O-CB 3.28Å; L745-L749 VanDerWaalsContact O-CD1 3.24Å; L745-L749 WeakPolarHBondContact O-CD1 3.32Å; L745-L749 WeakPolarHBondContact O-CG 3.36Å; L745-L749 PolarHBondContact O-N 3.18Å; L745-A776 HydrophobicContact CD1-CB 3.59Å; L745-L780 HydrophobicContact CD1-CG 4.34Å; L745-L780 HydrophobicContact CD2-CD2 4.2Å |
| 746 | E | 85.8 | Confident | 78.5 | Confident | 82 Ų | 82 | 59.5 Ų | 59.5 | 38% | 0.383 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -55.1 | -52.7 | 176.2 | -69.2 | -172.3 | 161.7 | 0 | 0 | 111.5 | E742 D743 L748 L749 E750 R779 | E742-E746 PolarHBondContact O-N 3.15Å; D743-E746 PolarHBondContact O-N 2.94Å; E746-L748 VanDerWaalsContact C-N 3.31Å; E746-L748 PolarHBondContact O-N 3.35Å; E746-L749 PolarHBondContact O-N 3.45Å; E746-L749 VanDerWaalsContact O-N 3.16Å; E746-E750 WeakPolarHBondContact O-CG 3.46Å; E746-E750 PolarHBondContact O-N 3.32Å; E746-R779 VanDerWaalsContact CD-NH1 3.3Å; E746-R779 WeakPolarHBondContact OE1-CD 3.47Å; E746-R779 IonicContact OE1-CZ 2.88Å; E746-R779 VanDerWaalsContact OE1-CZ 3.3Å; E746-R779 IonicContact OE1-NE 3.64Å; E746-R779 PolarHBondContact OE1-NE 3.18Å; E746-R779 IonicContact OE1-NH1 2.68Å; E746-R779 PolarHBondContact OE1-NH1 3.42Å |
| 747 | V | 85.3 | Confident | 76.7 | Confident | 27 Ų | 27 | 66.2 Ų | 66.2 | 16% | 0.164 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -57 | -44.9 | 177.6 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | A709 D743 L745 F751 | A709-V747 HydrophobicContact CB-CG1 3.85Å; D743-V747 WeakPolarHBondContact O-CG2 3.38Å; D743-V747 PolarHBondContact O-N 3.17Å; D743-V747 VanDerWaalsContact O-N 3.12Å; L745-V747 PolarHBondContact O-N 2.86Å; V747-F751 WeakPolarHBondContact O-CD2 3.34Å |
| 748 | L | 83.9 | Confident | 74.8 | Confident | 1 Ų | 1 | 73.2 Ų | 73.2 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 179.5 | -73.2 | 169.5 | 0 | 0 | 0 | 113.3 | A700 L708 V712 P732 I733 A736 C744 L745 E746 F751 F754 | A700-L748 HydrophobicContact CB-CD1 4.22Å; L708-L748 HydrophobicContact CD1-CD2 4.14Å; L708-L748 HydrophobicContact CD2-CD1 3.96Å; L708-L748 HydrophobicContact CD2-CD2 4.3Å; L708-L748 HydrophobicContact CD2-CG 3.81Å; L708-L748 HydrophobicContact CG-CD2 4.33Å; L708-L748 HydrophobicContact CG-CG 4.36Å; V712-L748 HydrophobicContact CG2-CD2 3.94Å; P732-L748 HydrophobicContact CB-CD1 4.21Å; I733-L748 HydrophobicContact CD1-CB 4.4Å; I733-L748 HydrophobicContact CG1-CB 3.94Å; I733-L748 HydrophobicContact CG1-CD1 3.94Å; I733-L748 HydrophobicContact CG1-CG 4.47Å; A736-L748 HydrophobicContact CB-CD1 4.46Å; C744-L748 WeakPolarHBondContact O-CB 3.45Å; C744-L748 VanDerWaalsContact O-CG 3.25Å; C744-L748 WeakPolarHBondContact O-CG 3.43Å; C744-L748 PolarHBondContact O-N 2.91Å; L745-L748 PolarHBondContact O-N 3.44Å; E746-L748 VanDerWaalsContact C-N 3.31Å; E746-L748 PolarHBondContact O-N 3.35Å; L748-F751 PolarHBondContact O-N 2.88Å; L748-F754 HydrophobicContact CD2-CD2 4.37Å; L748-F754 HydrophobicContact CD2-CE2 4.43Å; L748-F754 WeakPolarHBondContact O-CD2 3.35Å |
| 749 | L | 79.1 | Confident | 73.3 | Confident | 19 Ų | 19 | 70.1 Ų | 70.1 | 10% | 0.099 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -79.4 | -25.8 | -175.9 | -70.2 | 161.5 | 0 | 0 | 0 | 112.6 | I733 L745 E746 F751 I755 L780 S783 | I733-L749 HydrophobicContact CD1-CD2 4.39Å; L745-L749 HydrophobicContact CB-CD1 4.02Å; L745-L749 WeakPolarHBondContact O-CB 3.28Å; L745-L749 VanDerWaalsContact O-CD1 3.24Å; L745-L749 WeakPolarHBondContact O-CD1 3.32Å; L745-L749 WeakPolarHBondContact O-CG 3.36Å; L745-L749 PolarHBondContact O-N 3.18Å; E746-L749 PolarHBondContact O-N 3.45Å; E746-L749 VanDerWaalsContact O-N 3.16Å; L749-F751 PolarHBondContact O-N 3.41Å; L749-I755 HydrophobicContact CD2-CD1 4.14Å; L749-I755 HydrophobicContact CD2-CG1 4.37Å; L749-L780 HydrophobicContact CD1-CD2 4.17Å; L749-L780 HydrophobicContact CD2-CD2 4.2Å; L749-S783 VanDerWaalsContact CD1-OG 3.31Å; L749-S783 WeakPolarHBondContact CD1-OG 3.47Å |
| 750 | E | 76.4 | Confident | 72.2 | Confident | 146 Ų | 146 | 68 Ų | 68 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57.1 | -34.9 | 169.9 | -77.2 | -177.2 | 171.9 | 0 | 0 | 111.8 | E746 K752 | E746-E750 WeakPolarHBondContact O-CG 3.46Å; E746-E750 PolarHBondContact O-N 3.32Å; E750-K752 PolarHBondContact O-N 3.45Å |
| 751 | F | 67.6 | Low | 71.2 | Confident | 66 Ų | 66 | 70.3 Ų | 70.3 | 29% | 0.289 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -92.9 | 90.7 | 177.4 | -58.9 | -80.5 | 0 | 0 | 0 | 110.3 | V712 V747 L748 L749 T753 F754 | V712-F751 HydrophobicContact CG1-CB 4.31Å; V712-F751 HydrophobicContact CG1-CD1 4.3Å; V712-F751 HydrophobicContact CG1-CD2 3.46Å; V712-F751 VanDerWaalsContact CG1-CD2 3.46Å; V712-F751 HydrophobicContact CG1-CE2 3.81Å; V712-F751 HydrophobicContact CG1-CG 3.76Å; V712-F751 HydrophobicContact CG1-CZ 4.35Å; V747-F751 WeakPolarHBondContact O-CD2 3.34Å; L748-F751 PolarHBondContact O-N 2.88Å; L749-F751 PolarHBondContact O-N 3.41Å; F751-T753 PolarHBondContact O-N 3.47Å; F751-F754 HydrophobicContact CB-CD2 4.01Å; F751-F754 HydrophobicContact CB-CE2 3.72Å; F751-F754 VanDerWaalsContact O-CD2 3.26Å; F751-F754 WeakPolarHBondContact O-CD2 3.31Å; F751-F754 PolarHBondContact O-N 3.37Å |
| 752 | K | 57.7 | Low | 70.6 | Confident | 184 Ų | 184 | 68.9 Ų | 68.9 | 80% | 0.8 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -50.1 | -8 | -176.9 | -67.3 | 177.8 | 179.4 | 175.4 | 0 | 117.1 | E750 F754 | E750-K752 PolarHBondContact O-N 3.45Å; K752-F754 VanDerWaalsContact C-N 3.3Å; K752-F754 PolarHBondContact O-N 3.31Å |
| 753 | T | 55.5 | Low | 70.3 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 32% | 0.319 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -75.6 | -11.4 | -178.8 | 45.2 | 0 | 0 | 0 | 0 | 113.9 | M716 F751 H756 | M716-T753 HydrophobicContact SD-CG2 4.17Å; F751-T753 PolarHBondContact O-N 3.47Å; T753-H756 PolarHBondContact O-CD2 3.28Å; T753-H756 PolarHBondContact O-NE2 3.3Å |
| 754 | F | 55.8 | Low | 70.1 | Confident | 18 Ų | 18 | 63 Ų | 63 | 8% | 0.079 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -100.2 | -1.4 | -175.3 | -57.2 | -61 | 0 | 0 | 0 | 114.9 | V712 M716 L724 I733 L748 F751 K752 H756 | V712-F754 HydrophobicContact CG1-CE2 3.93Å; V712-F754 HydrophobicContact CG1-CZ 4.23Å; M716-F754 HydrophobicContact CE-CE1 4.29Å; M716-F754 HydrophobicContact CE-CZ 3.89Å; L724-F754 HydrophobicContact CD1-CD1 4.02Å; L724-F754 HydrophobicContact CD1-CE1 3.36Å; L724-F754 HydrophobicContact CD1-CZ 4.18Å; L724-F754 HydrophobicContact CG-CE1 4.33Å; I733-F754 HydrophobicContact CD1-CB 3.57Å; I733-F754 HydrophobicContact CG1-CB 4.35Å; L748-F754 HydrophobicContact CD2-CD2 4.37Å; L748-F754 HydrophobicContact CD2-CE2 4.43Å; L748-F754 WeakPolarHBondContact O-CD2 3.35Å; F751-F754 HydrophobicContact CB-CD2 4.01Å; F751-F754 HydrophobicContact CB-CE2 3.72Å; F751-F754 VanDerWaalsContact O-CD2 3.26Å; F751-F754 WeakPolarHBondContact O-CD2 3.31Å; F751-F754 PolarHBondContact O-N 3.37Å; K752-F754 VanDerWaalsContact C-N 3.3Å; K752-F754 PolarHBondContact O-N 3.31Å; F754-H756 PolarHBondContact O-N 3.25Å |
| 755 | I | 55.7 | Low | 70.1 | Confident | 73 Ų | 73 | 63 Ų | 63 | 37% | 0.374 | 32% | 0.319 | S | S | . | . | trans | -97.8 | 58 | 179.5 | -45.3 | 174.7 | 0 | 0 | 0 | 109.6 | L749 | L749-I755 HydrophobicContact CD2-CD1 4.14Å; L749-I755 HydrophobicContact CD2-CG1 4.37Å | ||
| 756 | H | 53.4 | Low | 70.1 | Confident | 142 Ų | 142 | 63 Ų | 63 | 66% | 0.657 | 32% | 0.319 | S | S | * | . | trans | -100.8 | 129.5 | 175 | -72.9 | -55.2 | 0 | 0 | 0 | 110.8 | T753 F754 E758 | T753-H756 PolarHBondContact O-CD2 3.28Å; T753-H756 PolarHBondContact O-NE2 3.3Å; F754-H756 PolarHBondContact O-N 3.25Å; H756-E758 PolarHBondContact O-N 3.48Å | ||
| 757 | E | 52.3 | Low | 70.2 | Confident | 141 Ų | 141 | 59.4 Ų | 59.4 | 66% | 0.659 | 30% | 0.303 | S | S | * | . | trans | -79.7 | 9.9 | -174.5 | -56 | -159.7 | 132.3 | 0 | 0 | 114.6 | H787 | E757-H787 IonicContact OE1-CE1 3.16Å; E757-H787 PolarHBondContact OE1-CE1 3.01Å; E757-H787 IonicContact OE1-CG 2.91Å; E757-H787 IonicContact OE1-ND1 2.79Å; E757-H787 PolarHBondContact OE1-ND1 3.25Å; E757-H787 IonicContact OE2-CE1 2.9Å; E757-H787 PolarHBondContact OE2-CE1 3.18Å; E757-H787 IonicContact OE2-ND1 3.32Å | ||
| 758 | E | 50.7 | Low | 70.3 | Confident | 148 Ų | 148 | 58.1 Ų | 58.1 | 69% | 0.692 | 30% | 0.295 | S | S | * | . | trans | -104.3 | 98.3 | 179.5 | -69.6 | -174 | 167.9 | 0 | 0 | 110.5 | K723 H756 | K723-E758 IonicContact NZ-OE2 3.77Å; H756-E758 PolarHBondContact O-N 3.48Å | ||
| 759 | G | 57.6 | Low | 70.5 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 43% | 0.433 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -178.6 | -163.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 760 | D | 64.5 | Low | 70.9 | Confident | 52 Ų | 52 | 59.9 Ų | 59.9 | 28% | 0.278 | 30% | 0.304 | S | S | . | . | trans | -53.7 | 131.2 | 171.2 | -175.9 | 0.2 | 0 | 0 | 0 | 109.4 | Y730 F762 | Y730-D760 HydrophobicContact CE1-CB 4.24Å; Y730-D760 PolarHBondContact OH-OD2 3.46Å; D760-F762 PolarHBondContact O-N 2.91Å; D760-F762 PolarHBondContact OD1-N 3.02Å; D760-F762 WeakPolarHBondContact OD2-CB 3.4Å | ||
| 761 | P | 69.3 | Low | 71.4 | Confident | 68 Ų | 68 | 55.9 Ų | 55.9 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -52.9 | -13.6 | 172.7 | -28.9 | 35.2 | 0 | 0 | 0 | 114.6 | T763 | P761-T763 PolarHBondContact O-N 2.82Å; P761-T763 VanDerWaalsContact O-N 3.15Å |
| 762 | F | 79.9 | Confident | 72.4 | Confident | 24 Ų | 24 | 54.1 Ų | 54.1 | 11% | 0.105 | 29% | 0.287 | C | S | . | . | trans | -76 | 89.4 | 175.1 | -158.8 | -100.5 | 0 | 0 | 0 | 113.2 | H734 D760 H766 C767 M770 D793 | H734-F762 PolarHBondContact CD2-O 2.75Å; H734-F762 PolarHBondContact NE2-O 3.34Å; D760-F762 PolarHBondContact O-N 2.91Å; D760-F762 PolarHBondContact OD1-N 3.02Å; D760-F762 WeakPolarHBondContact OD2-CB 3.4Å; F762-H766 HydrophobicContact CD1-CB 4.24Å; F762-H766 HydrophobicContact CD2-CB 3.99Å; F762-H766 HydrophobicContact CE1-CB 3.78Å; F762-H766 HydrophobicContact CE2-CB 3.49Å; F762-H766 VanDerWaalsContact CE2-CB 3.49Å; F762-H766 HydrophobicContact CG-CB 4.33Å; F762-H766 HydrophobicContact CZ-CB 3.34Å; F762-C767 HydrophobicContact CE1-CB 4.43Å; F762-C767 WeakPolarHBondContact CE1-SG 3.22Å; F762-M770 HydrophobicContact CE1-CE 4Å; F762-M770 HydrophobicContact CE2-CE 4.17Å; F762-M770 HydrophobicContact CE2-SD 4.15Å; F762-M770 HydrophobicContact CZ-CE 3.32Å; F762-M770 HydrophobicContact CZ-CG 4.24Å; F762-M770 HydrophobicContact CZ-SD 3.72Å; F762-D793 HydrophobicContact CD2-CB 3.93Å | ||
| 763 | T | 83.1 | Confident | 74 | Confident | 22 Ų | 22 | 48.3 Ų | 48.3 | 14% | 0.135 | 26% | 0.263 | C | S | . | . | trans | -68.2 | 159.4 | -174.6 | 73.5 | 0 | 0 | 0 | 0 | 114.5 | P761 L765 H766 C767 T791 | P761-T763 PolarHBondContact O-N 2.82Å; P761-T763 VanDerWaalsContact O-N 3.15Å; T763-L765 PolarHBondContact O-N 3.13Å; T763-L765 VanDerWaalsContact O-N 3.13Å; T763-H766 PolarHBondContact N-ND1 2.82Å; T763-H766 WeakPolarHBondContact O-CB 3.24Å; T763-H766 PolarHBondContact O-N 2.73Å; T763-H766 PolarHBondContact OG1-ND1 3.02Å; T763-C767 PolarHBondContact O-N 3.03Å; T763-T791 HydrophobicContact CG2-CG2 4.26Å; T763-T791 WeakPolarHBondContact CG2-OG1 3.42Å | ||
| 764 | P | 85 | Confident | 75.5 | Confident | 15 Ų | 15 | 47.6 Ų | 47.6 | 10% | 0.097 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.5 | -29.4 | 176.4 | -24 | 32.4 | 0 | 0 | 0 | 114 | I733 H734 A737 H766 C767 A768 L780 M788 | I733-P764 HydrophobicContact CB-CG 4.46Å; I733-P764 HydrophobicContact CG2-CB 3.79Å; I733-P764 HydrophobicContact CG2-CG 3.77Å; H734-P764 VanDerWaalsContact NE2-CD 3.3Å; H734-P764 WeakPolarHBondContact NE2-CD 3.39Å; A737-P764 HydrophobicContact CB-CB 3.97Å; A737-P764 WeakPolarHBondContact CB-O 3.38Å; P764-H766 VanDerWaalsContact C-N 3.33Å; P764-C767 WeakPolarHBondContact O-CB 3.48Å; P764-C767 PolarHBondContact O-N 3.2Å; P764-A768 PolarHBondContact O-N 2.91Å; P764-L780 HydrophobicContact CB-CD1 4.19Å; P764-L780 HydrophobicContact CB-CD2 4.46Å; P764-M788 HydrophobicContact CB-CE 4.5Å; P764-M788 HydrophobicContact CG-CE 4.35Å |
| 765 | L | 86.1 | Confident | 76.9 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -37.7 | 175.4 | -176.2 | 63.5 | 0 | 0 | 0 | 111.4 | T763 C767 A768 L769 A777 L781 M788 P799 | T763-L765 PolarHBondContact O-N 3.13Å; T763-L765 VanDerWaalsContact O-N 3.13Å; L765-C767 VanDerWaalsContact C-N 3.34Å; L765-A768 PolarHBondContact O-N 3.39Å; L765-L769 HydrophobicContact CD1-CD1 3.86Å; L765-L769 HydrophobicContact CD1-CG 4.19Å; L765-L769 HydrophobicContact CG-CD1 3.81Å; L765-L769 WeakPolarHBondContact O-CB 3.37Å; L765-L769 WeakPolarHBondContact O-CD1 3.27Å; L765-L769 WeakPolarHBondContact O-CG 3.37Å; L765-L769 PolarHBondContact O-N 3.43Å; L765-L769 VanDerWaalsContact O-N 3.09Å; L765-A777 HydrophobicContact CD1-CB 3.82Å; L765-L781 HydrophobicContact CD1-CD1 4.39Å; L765-L781 HydrophobicContact CD1-CD2 4.34Å; L765-L781 HydrophobicContact CD1-CG 4.11Å; L765-L781 HydrophobicContact CD2-CD2 3.79Å; L765-L781 HydrophobicContact CD2-CG 4.46Å; L765-M788 HydrophobicContact CB-CE 3.94Å; L765-M788 HydrophobicContact CD2-CB 4.09Å; L765-P799 HydrophobicContact CD2-CB 3.87Å; L765-P799 HydrophobicContact CD2-CG 3.8Å; L765-P799 HydrophobicContact CG-CB 4.08Å; L765-P799 HydrophobicContact CG-CG 4.24Å |
| 766 | H | 87 | Confident | 78.4 | Confident | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 171.5 | -65.5 | 91.7 | 0 | 0 | 0 | 111.1 | F762 T763 P764 M770 T791 R797 P799 | F762-H766 HydrophobicContact CD1-CB 4.24Å; F762-H766 HydrophobicContact CD2-CB 3.99Å; F762-H766 HydrophobicContact CE1-CB 3.78Å; F762-H766 HydrophobicContact CE2-CB 3.49Å; F762-H766 VanDerWaalsContact CE2-CB 3.49Å; F762-H766 HydrophobicContact CG-CB 4.33Å; F762-H766 HydrophobicContact CZ-CB 3.34Å; T763-H766 PolarHBondContact N-ND1 2.82Å; T763-H766 WeakPolarHBondContact O-CB 3.24Å; T763-H766 PolarHBondContact O-N 2.73Å; T763-H766 PolarHBondContact OG1-ND1 3.02Å; P764-H766 VanDerWaalsContact C-N 3.33Å; H766-M770 VanDerWaalsContact O-CB 3.3Å; H766-M770 WeakPolarHBondContact O-CB 3.3Å; H766-M770 VanDerWaalsContact O-CG 3.27Å; H766-M770 WeakPolarHBondContact O-CG 3.3Å; H766-M770 PolarHBondContact O-N 3.2Å; H766-T791 PolarHBondContact CE1-OG1 2.98Å; H766-R797 PolarHBondContact NE2-O 2.89Å; H766-P799 VanDerWaalsContact NE2-CD 3.31Å; H766-P799 WeakPolarHBondContact NE2-CD 3.45Å |
| 767 | C | 87.4 | Confident | 80 | Confident | 7 Ų | 7 | 37 Ų | 37 | 5% | 0.047 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.6 | -47.6 | 176.5 | -66.1 | 0 | 0 | 0 | 0 | 112.6 | A737 F762 T763 P764 L765 N771 | A737-C767 HydrophobicContact CB-CB 4.38Å; F762-C767 HydrophobicContact CE1-CB 4.43Å; F762-C767 WeakPolarHBondContact CE1-SG 3.22Å; T763-C767 PolarHBondContact O-N 3.03Å; P764-C767 WeakPolarHBondContact O-CB 3.48Å; P764-C767 PolarHBondContact O-N 3.2Å; L765-C767 VanDerWaalsContact C-N 3.34Å; C767-N771 PolarHBondContact O-N 3.46Å; C767-N771 PolarHBondContact O-ND2 2.93Å |
| 768 | A | 88.8 | Confident | 81.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.7 | -48.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A737 P764 L765 N771 G772 H773 A776 A777 L780 | A737-A768 HydrophobicContact CB-CB 4.23Å; A737-A768 WeakPolarHBondContact O-CA 3.36Å; P764-A768 PolarHBondContact O-N 2.91Å; L765-A768 PolarHBondContact O-N 3.39Å; A768-N771 PolarHBondContact O-N 3.44Å; A768-G772 PolarHBondContact O-N 3.45Å; A768-G772 VanDerWaalsContact O-N 3.15Å; A768-H773 PolarHBondContact O-N 3.29Å; A768-A776 HydrophobicContact CB-CB 4.37Å; A768-A777 HydrophobicContact CB-CB 4.18Å; A768-L780 HydrophobicContact CB-CD1 4.37Å |
| 769 | L | 88.5 | Confident | 83.3 | Confident | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -72 | -36.1 | -176.5 | -66.6 | 167.9 | 0 | 0 | 0 | 112.9 | L765 N771 G772 A777 P799 A802 A803 A806 V815 | L765-L769 HydrophobicContact CD1-CD1 3.86Å; L765-L769 HydrophobicContact CD1-CG 4.19Å; L765-L769 HydrophobicContact CG-CD1 3.81Å; L765-L769 WeakPolarHBondContact O-CB 3.37Å; L765-L769 WeakPolarHBondContact O-CD1 3.27Å; L765-L769 WeakPolarHBondContact O-CG 3.37Å; L765-L769 PolarHBondContact O-N 3.43Å; L765-L769 VanDerWaalsContact O-N 3.09Å; L769-N771 PolarHBondContact O-N 3.01Å; L769-G772 PolarHBondContact O-N 3.5Å; L769-A777 HydrophobicContact CD2-CB 3.73Å; L769-A777 HydrophobicContact CG-CB 4.1Å; L769-P799 HydrophobicContact CD1-CB 3.63Å; L769-P799 WeakPolarHBondContact CD1-O 3.49Å; L769-A802 HydrophobicContact CB-CB 4.17Å; L769-A803 HydrophobicContact CB-CB 4.26Å; L769-A803 HydrophobicContact CD2-CB 4.22Å; L769-A806 VanDerWaalsContact O-CB 3.27Å; L769-A806 WeakPolarHBondContact O-CB 3.37Å; L769-V815 HydrophobicContact CD1-CG2 3.55Å; L769-V815 HydrophobicContact CD2-CG2 4Å; L769-V815 HydrophobicContact CG-CG2 4.43Å |
| 770 | M | 86.8 | Confident | 84.6 | Confident | 57 Ų | 57 | 27.9 Ų | 27.9 | 28% | 0.281 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.5 | -27 | 175.6 | -77.4 | -152 | -36.7 | 0 | 0 | 113.1 | F762 H766 A802 A806 | F762-M770 HydrophobicContact CE1-CE 4Å; F762-M770 HydrophobicContact CE2-CE 4.17Å; F762-M770 HydrophobicContact CE2-SD 4.15Å; F762-M770 HydrophobicContact CZ-CE 3.32Å; F762-M770 HydrophobicContact CZ-CG 4.24Å; F762-M770 HydrophobicContact CZ-SD 3.72Å; H766-M770 VanDerWaalsContact O-CB 3.3Å; H766-M770 WeakPolarHBondContact O-CB 3.3Å; H766-M770 VanDerWaalsContact O-CG 3.27Å; H766-M770 WeakPolarHBondContact O-CG 3.3Å; H766-M770 PolarHBondContact O-N 3.2Å; M770-A802 HydrophobicContact CB-CB 4.45Å; M770-A802 HydrophobicContact CG-CB 3.41Å; M770-A802 VanDerWaalsContact CG-CB 3.41Å; M770-A806 VanDerWaalsContact O-CB 3.25Å; M770-A806 WeakPolarHBondContact O-CB 3.43Å |
| 771 | N | 87.8 | Confident | 85.4 | Confident | 62 Ų | 62 | 25.9 Ų | 25.9 | 33% | 0.332 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 1.8 | 177.2 | -67.9 | -67.8 | 0 | 0 | 0 | 113.1 | Y738 C767 A768 L769 | Y738-N771 WeakPolarHBondContact CD2-ND2 3.46Å; Y738-N771 WeakPolarHBondContact CE2-ND2 3.22Å; Y738-N771 PolarHBondContact O-ND2 3.27Å; C767-N771 PolarHBondContact O-N 3.46Å; C767-N771 PolarHBondContact O-ND2 2.93Å; A768-N771 PolarHBondContact O-N 3.44Å; L769-N771 PolarHBondContact O-N 3.01Å |
| 772 | G | 87.2 | Confident | 85.9 | Confident | 29 Ų | 29 | 28.4 Ų | 28.4 | 30% | 0.299 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.7 | 31.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | A768 L769 S774 | A768-G772 PolarHBondContact O-N 3.45Å; A768-G772 VanDerWaalsContact O-N 3.15Å; L769-G772 PolarHBondContact O-N 3.5Å; G772-S774 PolarHBondContact O-N 3.09Å |
| 773 | H | 91.3 | Very high | 85.5 | Confident | 62 Ų | 62 | 29.8 Ų | 29.8 | 29% | 0.287 | 16% | 0.164 | S | C | . | . | trans | -94.1 | 75.8 | 177 | -60.2 | -45 | 0 | 0 | 0 | 110.9 | Y738 G740 A768 G775 A776 A777 | Y738-H773 PolarHBondContact O-NE2 3.2Å; G740-H773 VanDerWaalsContact CA-CG 3.49Å; G740-H773 PolarHBondContact N-CD2 3.15Å; G740-H773 VanDerWaalsContact N-CD2 3.31Å; A768-H773 PolarHBondContact O-N 3.29Å; H773-G775 PolarHBondContact O-N 2.9Å; H773-A776 HydrophobicContact CB-CB 4.01Å; H773-A776 PolarHBondContact O-N 2.99Å; H773-A777 PolarHBondContact O-N 3.38Å | ||
| 774 | S | 87.3 | Confident | 84.4 | Confident | 37 Ų | 37 | 29.8 Ų | 29.8 | 26% | 0.259 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.3 | -37.1 | -175.2 | 64.5 | 0 | 0 | 0 | 0 | 114 | G772 A777 E778 D808 | G772-S774 PolarHBondContact O-N 3.09Å; S774-A777 WeakPolarHBondContact O-CB 3.25Å; S774-A777 PolarHBondContact O-N 2.95Å; S774-E778 PolarHBondContact O-N 3.24Å; S774-D808 WeakPolarHBondContact CB-OD2 3.35Å |
| 775 | G | 85.9 | Confident | 83 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 9% | 0.093 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70 | -38.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E742 H773 A777 E778 R779 | E742-G775 VanDerWaalsContact OE1-CA 3.32Å; E742-G775 WeakPolarHBondContact OE1-CA 3.27Å; H773-G775 PolarHBondContact O-N 2.9Å; G775-A777 VanDerWaalsContact C-N 3.32Å; G775-A777 PolarHBondContact O-N 3.5Å; G775-E778 WeakPolarHBondContact O-CB 3.36Å; G775-E778 PolarHBondContact O-N 3.45Å; G775-R779 WeakPolarHBondContact O-CG 3.21Å; G775-R779 PolarHBondContact O-N 3.28Å |
| 776 | A | 86.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 44 Ų | 44 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.6 | -39.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112 | E742 L745 A768 H773 E778 L780 | E742-A776 HydrophobicContact CG-CB 4.43Å; L745-A776 HydrophobicContact CD1-CB 3.59Å; A768-A776 HydrophobicContact CB-CB 4.37Å; H773-A776 HydrophobicContact CB-CB 4.01Å; H773-A776 PolarHBondContact O-N 2.99Å; A776-E778 VanDerWaalsContact C-N 3.34Å; A776-L780 WeakPolarHBondContact O-CG 3.43Å; A776-L780 PolarHBondContact O-N 3.03Å; A776-L780 VanDerWaalsContact O-N 3.13Å |
| 777 | A | 86.8 | Confident | 80.3 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L765 A768 L769 H773 S774 G775 L780 L781 L814 | L765-A777 HydrophobicContact CD1-CB 3.82Å; A768-A777 HydrophobicContact CB-CB 4.18Å; L769-A777 HydrophobicContact CD2-CB 3.73Å; L769-A777 HydrophobicContact CG-CB 4.1Å; H773-A777 PolarHBondContact O-N 3.38Å; S774-A777 WeakPolarHBondContact O-CB 3.25Å; S774-A777 PolarHBondContact O-N 2.95Å; G775-A777 VanDerWaalsContact C-N 3.32Å; G775-A777 PolarHBondContact O-N 3.5Å; A777-L780 PolarHBondContact O-N 3.46Å; A777-L781 WeakPolarHBondContact O-CB 3.46Å; A777-L781 VanDerWaalsContact O-CG 3.24Å; A777-L781 WeakPolarHBondContact O-CG 3.43Å; A777-L781 PolarHBondContact O-N 3.4Å; A777-L814 HydrophobicContact CB-CD2 4.07Å |
| 778 | E | 87.6 | Confident | 79.4 | Confident | 79 Ų | 79 | 50.5 Ų | 50.5 | 37% | 0.369 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -50.9 | 175.5 | -172 | 166.1 | -147.6 | 0 | 0 | 111.4 | S774 G775 A776 L780 L781 E782 L814 | S774-E778 PolarHBondContact O-N 3.24Å; G775-E778 WeakPolarHBondContact O-CB 3.36Å; G775-E778 PolarHBondContact O-N 3.45Å; A776-E778 VanDerWaalsContact C-N 3.34Å; E778-L780 VanDerWaalsContact C-N 3.29Å; E778-L780 PolarHBondContact O-N 2.95Å; E778-L781 PolarHBondContact O-N 3.39Å; E778-E782 HydrophobicContact CG-CG 4.45Å; E778-E782 WeakPolarHBondContact O-CG 3.26Å; E778-E782 PolarHBondContact O-N 3.37Å; E778-L814 HydrophobicContact CB-CD1 4.19Å; E778-L814 HydrophobicContact CB-CD2 3.79Å; E778-L814 HydrophobicContact CG-CD1 4.01Å |
| 779 | R | 85.7 | Confident | 78.7 | Confident | 58 Ų | 58 | 50.6 Ų | 50.6 | 22% | 0.219 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -37.6 | 177.6 | -59.9 | -64.4 | 168.7 | 61.7 | 22.3 | 112.8 | E742 E746 G775 S783 | E742-R779 IonicContact OE2-CZ 3.9Å; E742-R779 IonicContact OE2-NH1 3.58Å; E742-R779 IonicContact OE2-NH2 3.74Å; E742-R779 PolarHBondContact OE2-NH2 3.47Å; E746-R779 VanDerWaalsContact CD-NH1 3.3Å; E746-R779 WeakPolarHBondContact OE1-CD 3.47Å; E746-R779 IonicContact OE1-CZ 2.88Å; E746-R779 VanDerWaalsContact OE1-CZ 3.3Å; E746-R779 IonicContact OE1-NE 3.64Å; E746-R779 PolarHBondContact OE1-NE 3.18Å; E746-R779 IonicContact OE1-NH1 2.68Å; E746-R779 PolarHBondContact OE1-NH1 3.42Å; G775-R779 WeakPolarHBondContact O-CG 3.21Å; G775-R779 PolarHBondContact O-N 3.28Å; R779-S783 WeakPolarHBondContact O-CB 3.17Å; R779-S783 PolarHBondContact O-N 3.03Å; R779-S783 PolarHBondContact O-OG 3.12Å |
| 780 | L | 83.9 | Confident | 78.3 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.6 | -40.6 | 174 | -75.5 | 168.6 | 0 | 0 | 0 | 111.9 | I733 A737 L745 L749 P764 A768 A776 A777 E778 S783 A784 | I733-L780 HydrophobicContact CG2-CD2 3.96Å; A737-L780 HydrophobicContact CB-CD1 4.03Å; L745-L780 HydrophobicContact CD1-CG 4.34Å; L745-L780 HydrophobicContact CD2-CD2 4.2Å; L749-L780 HydrophobicContact CD1-CD2 4.17Å; L749-L780 HydrophobicContact CD2-CD2 4.2Å; P764-L780 HydrophobicContact CB-CD1 4.19Å; P764-L780 HydrophobicContact CB-CD2 4.46Å; A768-L780 HydrophobicContact CB-CD1 4.37Å; A776-L780 WeakPolarHBondContact O-CG 3.43Å; A776-L780 PolarHBondContact O-N 3.03Å; A776-L780 VanDerWaalsContact O-N 3.13Å; A777-L780 PolarHBondContact O-N 3.46Å; E778-L780 VanDerWaalsContact C-N 3.29Å; E778-L780 PolarHBondContact O-N 2.95Å; L780-S783 PolarHBondContact O-OG 3.29Å; L780-A784 WeakPolarHBondContact O-CB 3.26Å; L780-A784 PolarHBondContact O-N 3.14Å |
| 781 | L | 82.1 | Confident | 78.1 | Confident | 10 Ų | 10 | 52 Ų | 52 | 5% | 0.052 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -74.7 | -35.9 | -178.8 | -72.7 | 173.6 | 0 | 0 | 0 | 113.1 | L765 A777 E778 I789 L814 | L765-L781 HydrophobicContact CD1-CD1 4.39Å; L765-L781 HydrophobicContact CD1-CD2 4.34Å; L765-L781 HydrophobicContact CD1-CG 4.11Å; L765-L781 HydrophobicContact CD2-CD2 3.79Å; L765-L781 HydrophobicContact CD2-CG 4.46Å; A777-L781 WeakPolarHBondContact O-CB 3.46Å; A777-L781 VanDerWaalsContact O-CG 3.24Å; A777-L781 WeakPolarHBondContact O-CG 3.43Å; A777-L781 PolarHBondContact O-N 3.4Å; E778-L781 PolarHBondContact O-N 3.39Å; L781-I789 HydrophobicContact CD2-CD1 3.96Å; L781-I789 HydrophobicContact CD2-CG1 3.44Å; L781-I789 VanDerWaalsContact CD2-CG1 3.44Å; L781-L814 HydrophobicContact CD1-CD2 3.87Å; L781-L814 HydrophobicContact CD1-CG 3.87Å |
| 782 | E | 79.1 | Confident | 77.9 | Confident | 121 Ų | 121 | 55 Ų | 55 | 57% | 0.565 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -64.9 | -41.5 | 176.2 | -73.3 | -179.7 | 157 | 0 | 0 | 112.1 | E778 | E778-E782 HydrophobicContact CG-CG 4.45Å; E778-E782 WeakPolarHBondContact O-CG 3.26Å; E778-E782 PolarHBondContact O-N 3.37Å |
| 783 | S | 71.8 | Confident | 77.8 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 37% | 0.371 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -83.2 | -43 | -176.6 | 58.2 | 0 | 0 | 0 | 0 | 113.6 | L749 R779 L780 R785 | L749-S783 VanDerWaalsContact CD1-OG 3.31Å; L749-S783 WeakPolarHBondContact CD1-OG 3.47Å; R779-S783 WeakPolarHBondContact O-CB 3.17Å; R779-S783 PolarHBondContact O-N 3.03Å; R779-S783 PolarHBondContact O-OG 3.12Å; L780-S783 PolarHBondContact O-OG 3.29Å; S783-R785 PolarHBondContact O-N 3.44Å |
| 784 | A | 60.1 | Low | 77.3 | Confident | 22 Ų | 22 | 55.1 Ų | 55.1 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 7.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L780 M788 | L780-A784 WeakPolarHBondContact O-CB 3.26Å; L780-A784 PolarHBondContact O-N 3.14Å; A784-M788 HydrophobicContact CB-CG 4.43Å; A784-M788 HydrophobicContact CB-SD 3.66Å |
| 785 | R | 56 | Low | 77.1 | Confident | 213 Ų | 213 | 59.2 Ų | 59.2 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 32.4 | 92.9 | 179 | -71 | -168.6 | 179.8 | -170.2 | 0.8 | 114.9 | S783 H787 | S783-R785 PolarHBondContact O-N 3.44Å; R785-H787 PolarHBondContact O-N 3.14Å |
| 786 | V | 52.7 | Low | 76.9 | Confident | 99 Ų | 99 | 59.2 Ų | 59.2 | 60% | 0.6 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | -27 | 156 | -167.9 | 0 | 0 | 0 | 0 | 117.9 | M788 I789 | V786-M788 VanDerWaalsContact C-N 3.33Å; V786-M788 PolarHBondContact O-N 3.25Å; V786-I789 HydrophobicContact CG1-CD1 4.34Å |
| 787 | H | 62.3 | Low | 77 | Confident | 122 Ų | 122 | 62.1 Ų | 62.1 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -31.3 | -172.3 | -161.7 | -95.6 | 0 | 0 | 0 | 113.3 | E757 R785 I789 T791 | E757-H787 IonicContact OE1-CE1 3.16Å; E757-H787 PolarHBondContact OE1-CE1 3.01Å; E757-H787 IonicContact OE1-CG 2.91Å; E757-H787 IonicContact OE1-ND1 2.79Å; E757-H787 PolarHBondContact OE1-ND1 3.25Å; E757-H787 IonicContact OE2-CE1 2.9Å; E757-H787 PolarHBondContact OE2-CE1 3.18Å; E757-H787 IonicContact OE2-ND1 3.32Å; R785-H787 PolarHBondContact O-N 3.14Å; H787-I789 PolarHBondContact O-N 2.95Å; H787-T791 WeakPolarHBondContact O-CG2 3.19Å |
| 788 | M | 68.2 | Low | 77.1 | Confident | 24 Ų | 24 | 62.1 Ų | 62.1 | 12% | 0.118 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -16.7 | -174.4 | -62 | 179.6 | 73.8 | 0 | 0 | 115 | P764 L765 A784 V786 N790 T791 P799 | P764-M788 HydrophobicContact CB-CE 4.5Å; P764-M788 HydrophobicContact CG-CE 4.35Å; L765-M788 HydrophobicContact CB-CE 3.94Å; L765-M788 HydrophobicContact CD2-CB 4.09Å; A784-M788 HydrophobicContact CB-CG 4.43Å; A784-M788 HydrophobicContact CB-SD 3.66Å; V786-M788 VanDerWaalsContact C-N 3.33Å; V786-M788 PolarHBondContact O-N 3.25Å; M788-N790 PolarHBondContact O-N 2.92Å; M788-T791 PolarHBondContact O-N 3.43Å; M788-T791 PolarHBondContact O-OG1 3.41Å; M788-P799 WeakPolarHBondContact O-CG 3.44Å |
| 789 | I | 75.8 | Confident | 77.1 | Confident | 2 Ų | 2 | 58.4 Ų | 58.4 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -34.8 | -164.1 | -63.7 | 166.4 | 0 | 0 | 0 | 113 | L781 V786 H787 P799 V815 H818 A820 | L781-I789 HydrophobicContact CD2-CD1 3.96Å; L781-I789 HydrophobicContact CD2-CG1 3.44Å; L781-I789 VanDerWaalsContact CD2-CG1 3.44Å; V786-I789 HydrophobicContact CG1-CD1 4.34Å; H787-I789 PolarHBondContact O-N 2.95Å; I789-P799 VanDerWaalsContact O-CD 3.27Å; I789-P799 WeakPolarHBondContact O-CD 3.44Å; I789-P799 WeakPolarHBondContact O-CG 3.28Å; I789-V815 HydrophobicContact CG2-CG1 4.38Å; I789-H818 HydrophobicContact CD1-CB 3.5Å; I789-H818 WeakPolarHBondContact CD1-O 3.34Å; I789-A820 HydrophobicContact CG2-CB 3.62Å |
| 790 | N | 79.7 | Confident | 77.3 | Confident | 57 Ų | 57 | 55.6 Ų | 55.6 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | 16.6 | -179.5 | -64 | -38.2 | 0 | 0 | 0 | 112.3 | M788 E821 | M788-N790 PolarHBondContact O-N 2.92Å; N790-E821 PolarHBondContact OD1-N 2.89Å |
| 791 | T | 82.3 | Confident | 77.5 | Confident | 28 Ų | 28 | 55.7 Ų | 55.7 | 17% | 0.172 | 28% | 0.278 | C | S | . | . | trans | -61.7 | 142.5 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | T763 H766 H787 M788 P799 | T763-T791 HydrophobicContact CG2-CG2 4.26Å; T763-T791 WeakPolarHBondContact CG2-OG1 3.42Å; H766-T791 PolarHBondContact CE1-OG1 2.98Å; H787-T791 WeakPolarHBondContact O-CG2 3.19Å; M788-T791 PolarHBondContact O-N 3.43Å; M788-T791 PolarHBondContact O-OG1 3.41Å; T791-P799 WeakPolarHBondContact O-CD 2.95Å | ||
| 792 | R | 84 | Confident | 77.8 | Confident | 125 Ų | 125 | 55.6 Ų | 55.6 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | trans | -111.1 | 128.6 | -179.7 | -68.6 | -178.1 | 179.9 | -126.3 | 1.6 | 108.9 | R797 T798 V825 | R792-R797 WeakPolarHBondContact CA-O 3.24Å; R792-T798 HydrophobicContact CG-CG2 4.28Å; R792-V825 PolarHBondContact NH1-O 3.09Å | ||
| 793 | D | 84.3 | Confident | 78.3 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 6% | 0.059 | 25% | 0.252 | C | S | . | . | trans | -71.7 | -179 | 172.1 | 78 | -3.3 | 0 | 0 | 0 | 112 | F762 K795 G796 R797 | F762-D793 HydrophobicContact CD2-CB 3.93Å; D793-K795 PolarHBondContact O-N 3.02Å; D793-K795 VanDerWaalsContact OD1-C 3.25Å; D793-K795 VanDerWaalsContact OD1-CA 3.29Å; D793-K795 WeakPolarHBondContact OD1-CA 3.3Å; D793-K795 WeakPolarHBondContact OD1-CB 3.39Å; D793-K795 PolarHBondContact OD1-N 3.48Å; D793-G796 PolarHBondContact O-N 2.9Å; D793-G796 PolarHBondContact OD1-N 3.45Å; D793-G796 VanDerWaalsContact OD1-N 3.09Å; D793-R797 PolarHBondContact N-O 3.25Å; D793-R797 WeakPolarHBondContact OD1-CB 3.31Å; D793-R797 PolarHBondContact OD1-N 3.41Å; D793-R797 IonicContact OD1-NE 2.83Å; D793-R797 IonicContact OD2-CZ 3.55Å; D793-R797 IonicContact OD2-NE 3.71Å; D793-R797 PolarHBondContact OD2-NE 3.44Å; D793-R797 IonicContact OD2-NH2 3.85Å; D793-R797 PolarHBondContact OD2-NH2 3Å | ||
| 794 | A | 82.1 | Confident | 79.1 | Confident | 84 Ų | 84 | 47.3 Ų | 47.3 | 69% | 0.694 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -15.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 795 | K | 82.3 | Confident | 80.4 | Confident | 122 Ų | 122 | 50 Ų | 50 | 53% | 0.53 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.4 | 13.4 | 176 | -62 | -175.4 | -179.9 | -179 | 0 | 112.4 | D793 R797 T827 | D793-K795 PolarHBondContact O-N 3.02Å; D793-K795 VanDerWaalsContact OD1-C 3.25Å; D793-K795 VanDerWaalsContact OD1-CA 3.29Å; D793-K795 WeakPolarHBondContact OD1-CA 3.3Å; D793-K795 WeakPolarHBondContact OD1-CB 3.39Å; D793-K795 PolarHBondContact OD1-N 3.48Å; K795-R797 HydrophobicContact CB-CG 4.17Å; K795-R797 PolarHBondContact O-N 2.98Å; K795-T827 WeakPolarHBondContact O-CG2 3.22Å; K795-T827 PolarHBondContact O-N 3.32Å; K795-T827 VanDerWaalsContact O-N 3.07Å; K795-T827 PolarHBondContact O-OG1 2.83Å |
| 796 | G | 82.7 | Confident | 81.6 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | S | Bend | trans | 71.1 | 9.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D793 | D793-G796 PolarHBondContact O-N 2.9Å; D793-G796 PolarHBondContact OD1-N 3.45Å; D793-G796 VanDerWaalsContact OD1-N 3.09Å |
| 797 | R | 87.8 | Confident | 82.9 | Confident | 63 Ų | 63 | 41.9 Ų | 41.9 | 24% | 0.238 | 21% | 0.213 | C | C | . | . | trans | -80.6 | 139.4 | -177.9 | -60 | 175.9 | -65.2 | 173.3 | 3.6 | 109.7 | H766 R792 D793 K795 H801 D826 | H766-R797 PolarHBondContact NE2-O 2.89Å; R792-R797 WeakPolarHBondContact CA-O 3.24Å; D793-R797 PolarHBondContact N-O 3.25Å; D793-R797 WeakPolarHBondContact OD1-CB 3.31Å; D793-R797 PolarHBondContact OD1-N 3.41Å; D793-R797 IonicContact OD1-NE 2.83Å; D793-R797 IonicContact OD2-CZ 3.55Å; D793-R797 IonicContact OD2-NE 3.71Å; D793-R797 PolarHBondContact OD2-NE 3.44Å; D793-R797 IonicContact OD2-NH2 3.85Å; D793-R797 PolarHBondContact OD2-NH2 3Å; K795-R797 HydrophobicContact CB-CG 4.17Å; K795-R797 PolarHBondContact O-N 2.98Å; R797-H801 HydrophobicContact CB-CB 4.07Å; R797-D826 HydrophobicContact CG-CB 3.76Å | ||
| 798 | T | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -94.6 | 165.2 | 174.5 | 66 | 0 | 0 | 0 | 0 | 111.1 | R792 L800 H801 A802 A824 | R792-T798 HydrophobicContact CG-CG2 4.28Å; T798-L800 PolarHBondContact O-N 3.38Å; T798-L800 VanDerWaalsContact O-N 3.09Å; T798-L800 PolarHBondContact OG1-N 3.3Å; T798-H801 PolarHBondContact N-ND1 2.97Å; T798-H801 VanDerWaalsContact N-ND1 3.19Å; T798-H801 WeakPolarHBondContact O-CA 3.14Å; T798-H801 WeakPolarHBondContact O-CB 3.39Å; T798-H801 PolarHBondContact O-N 3.41Å; T798-H801 PolarHBondContact OG1-ND1 3.44Å; T798-A802 PolarHBondContact O-N 3.48Å; T798-A824 HydrophobicContact CG2-CB 3.94Å | ||
| 799 | P | 87.6 | Confident | 84.5 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -51 | -31.4 | 169.7 | -31.1 | 37.1 | 0 | 0 | 0 | 113.8 | L765 H766 L769 M788 I789 T791 H801 A802 A803 | L765-P799 HydrophobicContact CD2-CB 3.87Å; L765-P799 HydrophobicContact CD2-CG 3.8Å; L765-P799 HydrophobicContact CG-CB 4.08Å; L765-P799 HydrophobicContact CG-CG 4.24Å; H766-P799 VanDerWaalsContact NE2-CD 3.31Å; H766-P799 WeakPolarHBondContact NE2-CD 3.45Å; L769-P799 HydrophobicContact CD1-CB 3.63Å; L769-P799 WeakPolarHBondContact CD1-O 3.49Å; M788-P799 WeakPolarHBondContact O-CG 3.44Å; I789-P799 VanDerWaalsContact O-CD 3.27Å; I789-P799 WeakPolarHBondContact O-CD 3.44Å; I789-P799 WeakPolarHBondContact O-CG 3.28Å; T791-P799 WeakPolarHBondContact O-CD 2.95Å; P799-H801 VanDerWaalsContact C-N 3.35Å; P799-H801 PolarHBondContact O-N 3.47Å; P799-A802 WeakPolarHBondContact O-CB 3.43Å; P799-A802 PolarHBondContact O-N 3.38Å; P799-A803 PolarHBondContact O-N 3.23Å |
| 800 | L | 89.1 | Confident | 84.9 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.7 | -37 | 174.7 | -171.1 | 69.6 | 0 | 0 | 0 | 112.4 | T798 A802 A803 A804 L812 V815 L816 A820 A832 | T798-L800 PolarHBondContact O-N 3.38Å; T798-L800 VanDerWaalsContact O-N 3.09Å; T798-L800 PolarHBondContact OG1-N 3.3Å; L800-A802 VanDerWaalsContact C-N 3.34Å; L800-A803 PolarHBondContact O-N 3.08Å; L800-A804 VanDerWaalsContact O-CB 3.24Å; L800-A804 WeakPolarHBondContact O-CB 3.38Å; L800-A804 PolarHBondContact O-N 3.42Å; L800-L812 HydrophobicContact CD1-CD1 3.68Å; L800-L812 HydrophobicContact CD1-CG 4.46Å; L800-V815 HydrophobicContact CB-CG1 4.27Å; L800-V815 HydrophobicContact CD1-CG1 4.11Å; L800-L816 HydrophobicContact CD1-CD2 4.05Å; L800-L816 HydrophobicContact CD1-CG 4.15Å; L800-A820 HydrophobicContact CB-CB 4.48Å; L800-A832 HydrophobicContact CD2-CB 3.89Å; L800-A832 HydrophobicContact CG-CB 3.78Å |
| 801 | H | 89.6 | Confident | 85.2 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.019 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.3 | -37.5 | 173.5 | -65.3 | 82.5 | 0 | 0 | 0 | 111.5 | R797 T798 P799 A804 F805 A824 R830 A832 | R797-H801 HydrophobicContact CB-CB 4.07Å; T798-H801 PolarHBondContact N-ND1 2.97Å; T798-H801 VanDerWaalsContact N-ND1 3.19Å; T798-H801 WeakPolarHBondContact O-CA 3.14Å; T798-H801 WeakPolarHBondContact O-CB 3.39Å; T798-H801 PolarHBondContact O-N 3.41Å; T798-H801 PolarHBondContact OG1-ND1 3.44Å; P799-H801 VanDerWaalsContact C-N 3.35Å; P799-H801 PolarHBondContact O-N 3.47Å; H801-A804 PolarHBondContact O-N 3.46Å; H801-F805 WeakPolarHBondContact O-CB 3.45Å; H801-F805 PolarHBondContact O-N 3.38Å; H801-A824 PolarHBondContact CE1-O 2.97Å; H801-A824 PolarHBondContact NE2-O 3.3Å; H801-R830 PolarHBondContact NE2-O 3.49Å; H801-A832 PolarHBondContact NE2-N 3.15Å |
| 802 | A | 88 | Confident | 85.4 | Confident | 8 Ų | 8 | 36.4 Ų | 36.4 | 7% | 0.066 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L769 M770 T798 P799 L800 F805 A806 | L769-A802 HydrophobicContact CB-CB 4.17Å; M770-A802 HydrophobicContact CB-CB 4.45Å; M770-A802 HydrophobicContact CG-CB 3.41Å; M770-A802 VanDerWaalsContact CG-CB 3.41Å; T798-A802 PolarHBondContact O-N 3.48Å; P799-A802 WeakPolarHBondContact O-CB 3.43Å; P799-A802 PolarHBondContact O-N 3.38Å; L800-A802 VanDerWaalsContact C-N 3.34Å; A802-F805 WeakPolarHBondContact O-CB 3.26Å; A802-F805 PolarHBondContact O-N 3.41Å; A802-A806 PolarHBondContact O-N 3.4Å |
| 803 | A | 89.1 | Confident | 85.6 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L769 P799 L800 F805 A806 L812 | L769-A803 HydrophobicContact CB-CB 4.26Å; L769-A803 HydrophobicContact CD2-CB 4.22Å; P799-A803 PolarHBondContact O-N 3.23Å; L800-A803 PolarHBondContact O-N 3.08Å; A803-F805 PolarHBondContact O-N 2.95Å; A803-A806 PolarHBondContact O-N 3.45Å; A803-L812 HydrophobicContact CB-CB 4.29Å; A803-L812 HydrophobicContact CB-CD1 4.05Å |
| 804 | A | 88.6 | Confident | 85.7 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.1 | -16.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L800 H801 L812 A832 A836 L841 T844 | L800-A804 VanDerWaalsContact O-CB 3.24Å; L800-A804 WeakPolarHBondContact O-CB 3.38Å; L800-A804 PolarHBondContact O-N 3.42Å; H801-A804 PolarHBondContact O-N 3.46Å; A804-L812 HydrophobicContact CB-CD1 4.34Å; A804-A832 HydrophobicContact CB-CB 3.94Å; A804-A832 WeakPolarHBondContact CB-O 3.45Å; A804-A836 HydrophobicContact CB-CB 4.43Å; A804-L841 WeakPolarHBondContact O-CD1 3.43Å; A804-T844 HydrophobicContact CB-CG2 4.15Å |
| 805 | F | 88.2 | Confident | 85.9 | Confident | 79 Ų | 79 | 28.9 Ų | 28.9 | 35% | 0.346 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -83.9 | -29.5 | 176.7 | 178.9 | -83.7 | 0 | 0 | 0 | 113.2 | H801 A802 A803 V835 R839 | H801-F805 WeakPolarHBondContact O-CB 3.45Å; H801-F805 PolarHBondContact O-N 3.38Å; A802-F805 WeakPolarHBondContact O-CB 3.26Å; A802-F805 PolarHBondContact O-N 3.41Å; A803-F805 PolarHBondContact O-N 2.95Å; F805-V835 HydrophobicContact CB-CG1 4.16Å; F805-V835 HydrophobicContact CD2-CG1 4.4Å; F805-R839 VanDerWaalsContact CE2-NH1 3.26Å |
| 806 | A | 81.6 | Confident | 86.1 | Confident | 33 Ų | 33 | 24.8 Ų | 24.8 | 27% | 0.273 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -100.4 | -1.4 | -166.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | L769 M770 A802 A803 D808 | L769-A806 VanDerWaalsContact O-CB 3.27Å; L769-A806 WeakPolarHBondContact O-CB 3.37Å; M770-A806 VanDerWaalsContact O-CB 3.25Å; M770-A806 WeakPolarHBondContact O-CB 3.43Å; A802-A806 PolarHBondContact O-N 3.4Å; A803-A806 PolarHBondContact O-N 3.45Å; A806-D808 PolarHBondContact O-N 3.38Å |
| 807 | E | 78.6 | Confident | 86.2 | Confident | 108 Ų | 108 | 32.4 Ų | 32.4 | 51% | 0.505 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 18.1 | -170.1 | -153.2 | 174.2 | -171.3 | 0 | 0 | 114.7 | V809 L841 | E807-V809 VanDerWaalsContact C-N 3.34Å; E807-V809 PolarHBondContact O-N 3.05Å; E807-L841 HydrophobicContact CB-CD1 3.94Å; E807-L841 HydrophobicContact CB-CD2 3.69Å; E807-L841 HydrophobicContact CB-CG 4.29Å; E807-L841 HydrophobicContact CG-CB 4.29Å; E807-L841 HydrophobicContact CG-CD1 4.42Å; E807-L841 HydrophobicContact CG-CD2 3.72Å; E807-L841 HydrophobicContact CG-CG 4.34Å |
| 808 | D | 80.1 | Confident | 85.9 | Confident | 16 Ų | 16 | 33.2 Ų | 33.2 | 9% | 0.086 | 17% | 0.167 | C | C | . | . | trans | -77.5 | 86.5 | 175.8 | -176 | 7.1 | 0 | 0 | 0 | 111 | S774 A806 A810 G811 L812 | S774-D808 WeakPolarHBondContact CB-OD2 3.35Å; A806-D808 PolarHBondContact O-N 3.38Å; D808-A810 PolarHBondContact O-N 2.87Å; D808-A810 PolarHBondContact OD1-N 3.28Å; D808-A810 VanDerWaalsContact OD1-N 3.12Å; D808-G811 PolarHBondContact O-N 3.04Å; D808-G811 PolarHBondContact OD1-N 2.87Å; D808-G811 VanDerWaalsContact OD2-CA 3.3Å; D808-G811 WeakPolarHBondContact OD2-CA 3.36Å; D808-G811 PolarHBondContact OD2-N 3.23Å; D808-L812 VanDerWaalsContact O-CB 3.22Å; D808-L812 WeakPolarHBondContact O-CB 3.11Å; D808-L812 PolarHBondContact O-N 3.12Å | ||
| 809 | V | 84.4 | Confident | 85.6 | Confident | 51 Ų | 51 | 35.7 Ų | 35.7 | 31% | 0.309 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -57.8 | -37.3 | 175.5 | 163.9 | 0 | 0 | 0 | 0 | 111.7 | E807 Q813 I847 | E807-V809 VanDerWaalsContact C-N 3.34Å; E807-V809 PolarHBondContact O-N 3.05Å; V809-Q813 WeakPolarHBondContact O-CB 3.45Å; V809-Q813 VanDerWaalsContact O-CG 3.27Å; V809-Q813 WeakPolarHBondContact O-CG 3.37Å; V809-Q813 PolarHBondContact O-N 3.38Å; V809-I847 HydrophobicContact CB-CD1 4.19Å; V809-I847 HydrophobicContact CG1-CD1 3.33Å; V809-I847 HydrophobicContact CG2-CD1 4.11Å |
| 810 | A | 85.2 | Confident | 85.5 | Confident | 51 Ų | 51 | 36.1 Ų | 36.1 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71.1 | -48.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | D808 L812 Q813 L814 | D808-A810 PolarHBondContact O-N 2.87Å; D808-A810 PolarHBondContact OD1-N 3.28Å; D808-A810 VanDerWaalsContact OD1-N 3.12Å; A810-L812 VanDerWaalsContact C-N 3.34Å; A810-L812 PolarHBondContact O-N 3Å; A810-Q813 PolarHBondContact O-N 3.09Å; A810-L814 WeakPolarHBondContact O-CB 3.43Å; A810-L814 PolarHBondContact O-N 2.87Å |
| 811 | G | 84.8 | Confident | 85.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.5 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D808 L814 V815 | D808-G811 PolarHBondContact O-N 3.04Å; D808-G811 PolarHBondContact OD1-N 2.87Å; D808-G811 VanDerWaalsContact OD2-CA 3.3Å; D808-G811 WeakPolarHBondContact OD2-CA 3.36Å; D808-G811 PolarHBondContact OD2-N 3.23Å; G811-L814 WeakPolarHBondContact O-CB 3.42Å; G811-L814 PolarHBondContact O-N 3.01Å; G811-V815 WeakPolarHBondContact O-CB 3.28Å; G811-V815 VanDerWaalsContact O-CG2 3.25Å; G811-V815 WeakPolarHBondContact O-CG2 3.37Å; G811-V815 PolarHBondContact O-N 3.19Å |
| 812 | L | 86.9 | Confident | 85.1 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.7 | -47.9 | 173.9 | -171.1 | 85.1 | 0 | 0 | 0 | 111.5 | L800 A803 A804 D808 A810 L814 L816 T844 I847 L848 | L800-L812 HydrophobicContact CD1-CD1 3.68Å; L800-L812 HydrophobicContact CD1-CG 4.46Å; A803-L812 HydrophobicContact CB-CB 4.29Å; A803-L812 HydrophobicContact CB-CD1 4.05Å; A804-L812 HydrophobicContact CB-CD1 4.34Å; D808-L812 VanDerWaalsContact O-CB 3.22Å; D808-L812 WeakPolarHBondContact O-CB 3.11Å; D808-L812 PolarHBondContact O-N 3.12Å; A810-L812 VanDerWaalsContact C-N 3.34Å; A810-L812 PolarHBondContact O-N 3Å; L812-L814 VanDerWaalsContact C-N 3.32Å; L812-L814 PolarHBondContact O-N 2.61Å; L812-L816 HydrophobicContact CG-CD1 4.23Å; L812-L816 WeakPolarHBondContact O-CB 3.11Å; L812-L816 WeakPolarHBondContact O-CD1 3.17Å; L812-L816 WeakPolarHBondContact O-CG 3.39Å; L812-L816 PolarHBondContact O-N 2.98Å; L812-T844 HydrophobicContact CD1-CG2 4.07Å; L812-T844 HydrophobicContact CD2-CG2 3.64Å; L812-T844 HydrophobicContact CG-CG2 4.45Å; L812-I847 HydrophobicContact CD2-CB 4.11Å; L812-I847 HydrophobicContact CD2-CG2 3.97Å; L812-L848 HydrophobicContact CD1-CD2 4.34Å; L812-L848 HydrophobicContact CD2-CD2 4.45Å; L812-L848 HydrophobicContact CD2-CG 4.2Å |
| 813 | Q | 87.4 | Confident | 85 | Confident | 50 Ų | 50 | 46 Ų | 46 | 23% | 0.234 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -38 | 177.4 | -74.6 | -174.9 | 27.5 | 0 | 0 | 112.3 | V809 A810 L816 R817 I847 R851 | V809-Q813 WeakPolarHBondContact O-CB 3.45Å; V809-Q813 VanDerWaalsContact O-CG 3.27Å; V809-Q813 WeakPolarHBondContact O-CG 3.37Å; V809-Q813 PolarHBondContact O-N 3.38Å; A810-Q813 PolarHBondContact O-N 3.09Å; Q813-L816 PolarHBondContact O-N 3.18Å; Q813-R817 VanDerWaalsContact O-CG 3.27Å; Q813-R817 WeakPolarHBondContact O-CG 3.43Å; Q813-R817 PolarHBondContact O-N 2.98Å; Q813-I847 HydrophobicContact CG-CD1 4.22Å; Q813-I847 HydrophobicContact CG-CG2 4.2Å; Q813-R851 VanDerWaalsContact CD-NH1 3.25Å |
| 814 | L | 86.9 | Confident | 84.9 | Confident | 13 Ų | 13 | 46.3 Ų | 46.3 | 7% | 0.068 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.1 | -52.7 | 177.7 | 179.7 | 73.5 | 0 | 0 | 0 | 110.7 | A777 E778 L781 A810 G811 L812 L816 R817 H818 | A777-L814 HydrophobicContact CB-CD2 4.07Å; E778-L814 HydrophobicContact CB-CD1 4.19Å; E778-L814 HydrophobicContact CB-CD2 3.79Å; E778-L814 HydrophobicContact CG-CD1 4.01Å; L781-L814 HydrophobicContact CD1-CD2 3.87Å; L781-L814 HydrophobicContact CD1-CG 3.87Å; A810-L814 WeakPolarHBondContact O-CB 3.43Å; A810-L814 PolarHBondContact O-N 2.87Å; G811-L814 WeakPolarHBondContact O-CB 3.42Å; G811-L814 PolarHBondContact O-N 3.01Å; L812-L814 VanDerWaalsContact C-N 3.32Å; L812-L814 PolarHBondContact O-N 2.61Å; L814-L816 VanDerWaalsContact C-N 3.28Å; L814-L816 PolarHBondContact O-N 3.05Å; L814-R817 WeakPolarHBondContact O-CB 2.91Å; L814-R817 PolarHBondContact O-N 3.25Å; L814-H818 PolarHBondContact O-CD2 3.49Å; L814-H818 VanDerWaalsContact O-CD2 3.29Å; L814-H818 PolarHBondContact O-N 3.17Å; L814-H818 VanDerWaalsContact O-N 3.14Å |
| 815 | V | 86.8 | Confident | 84.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 178.7 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | L769 I789 L800 G811 H818 G819 A820 | L769-V815 HydrophobicContact CD1-CG2 3.55Å; L769-V815 HydrophobicContact CD2-CG2 4Å; L769-V815 HydrophobicContact CG-CG2 4.43Å; I789-V815 HydrophobicContact CG2-CG1 4.38Å; L800-V815 HydrophobicContact CB-CG1 4.27Å; L800-V815 HydrophobicContact CD1-CG1 4.11Å; G811-V815 WeakPolarHBondContact O-CB 3.28Å; G811-V815 VanDerWaalsContact O-CG2 3.25Å; G811-V815 WeakPolarHBondContact O-CG2 3.37Å; G811-V815 PolarHBondContact O-N 3.19Å; V815-H818 PolarHBondContact O-N 2.83Å; V815-G819 PolarHBondContact O-N 3.33Å; V815-A820 HydrophobicContact CG1-CB 3.36Å; V815-A820 WeakPolarHBondContact O-CB 3.49Å; V815-A820 PolarHBondContact O-N 3.26Å |
| 816 | L | 85.7 | Confident | 84.9 | Confident | 35 Ų | 35 | 45.4 Ų | 45.4 | 18% | 0.183 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67.1 | -39.1 | 173.4 | -70.9 | 169.4 | 0 | 0 | 0 | 113.1 | L800 L812 Q813 L814 H818 G819 I822 I847 L848 A852 | L800-L816 HydrophobicContact CD1-CD2 4.05Å; L800-L816 HydrophobicContact CD1-CG 4.15Å; L812-L816 HydrophobicContact CG-CD1 4.23Å; L812-L816 WeakPolarHBondContact O-CB 3.11Å; L812-L816 WeakPolarHBondContact O-CD1 3.17Å; L812-L816 WeakPolarHBondContact O-CG 3.39Å; L812-L816 PolarHBondContact O-N 2.98Å; Q813-L816 PolarHBondContact O-N 3.18Å; L814-L816 VanDerWaalsContact C-N 3.28Å; L814-L816 PolarHBondContact O-N 3.05Å; L816-H818 VanDerWaalsContact C-N 3.26Å; L816-H818 PolarHBondContact O-N 3.45Å; L816-G819 PolarHBondContact O-N 3.07Å; L816-I822 HydrophobicContact CD2-CD1 4.31Å; L816-I822 HydrophobicContact CD2-CG1 3.66Å; L816-I847 HydrophobicContact CD1-CG2 4.07Å; L816-L848 HydrophobicContact CD1-CD2 4.35Å; L816-A852 HydrophobicContact CD1-CB 4.12Å; L816-A852 HydrophobicContact CD2-CB 3.97Å |
| 817 | R | 85.1 | Confident | 85.2 | Confident | 170 Ų | 170 | 48.6 Ų | 48.6 | 64% | 0.642 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -61.6 | -35.2 | 175.8 | -76.5 | 174 | -167.3 | -168.2 | 4.7 | 112 | Q813 L814 G819 | Q813-R817 VanDerWaalsContact O-CG 3.27Å; Q813-R817 WeakPolarHBondContact O-CG 3.43Å; Q813-R817 PolarHBondContact O-N 2.98Å; L814-R817 WeakPolarHBondContact O-CB 2.91Å; L814-R817 PolarHBondContact O-N 3.25Å; R817-G819 VanDerWaalsContact C-N 3.31Å |
| 818 | H | 82.3 | Confident | 85.5 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 37% | 0.366 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | 7.4 | -179.8 | -71.8 | -87.8 | 0 | 0 | 0 | 114.2 | I789 L814 V815 L816 | I789-H818 HydrophobicContact CD1-CB 3.5Å; I789-H818 WeakPolarHBondContact CD1-O 3.34Å; L814-H818 PolarHBondContact O-CD2 3.49Å; L814-H818 VanDerWaalsContact O-CD2 3.29Å; L814-H818 PolarHBondContact O-N 3.17Å; L814-H818 VanDerWaalsContact O-N 3.14Å; V815-H818 PolarHBondContact O-N 2.83Å; L816-H818 VanDerWaalsContact C-N 3.26Å; L816-H818 PolarHBondContact O-N 3.45Å |
| 819 | G | 82.5 | Confident | 85.8 | Confident | 52 Ų | 52 | 44.4 Ų | 44.4 | 54% | 0.536 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.1 | 34.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | V815 L816 R817 | V815-G819 PolarHBondContact O-N 3.33Å; L816-G819 PolarHBondContact O-N 3.07Å; R817-G819 VanDerWaalsContact C-N 3.31Å |
| 820 | A | 85.3 | Confident | 86 | Confident | 9 Ų | 9 | 46.4 Ų | 46.4 | 7% | 0.074 | 25% | 0.253 | C | S | . | . | trans | -64.8 | 146.2 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | I789 L800 V815 I822 | I789-A820 HydrophobicContact CG2-CB 3.62Å; L800-A820 HydrophobicContact CB-CB 4.48Å; V815-A820 HydrophobicContact CG1-CB 3.36Å; V815-A820 WeakPolarHBondContact O-CB 3.49Å; V815-A820 PolarHBondContact O-N 3.26Å; A820-I822 PolarHBondContact O-N 3.29Å; A820-I822 VanDerWaalsContact O-N 3.13Å | ||
| 821 | E | 85.3 | Confident | 86.3 | Confident | 94 Ų | 94 | 44.1 Ų | 44.1 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | trans | -69 | 105.2 | 174.1 | -71.8 | 176.2 | -167.1 | 0 | 0 | 111.3 | N790 A824 | N790-E821 PolarHBondContact OD1-N 2.89Å; E821-A824 HydrophobicContact CB-CB 3.91Å; E821-A824 WeakPolarHBondContact O-CB 3.3Å; E821-A824 PolarHBondContact O-N 3.39Å | ||
| 822 | I | 85 | Confident | 86.5 | Confident | 48 Ų | 48 | 44.1 Ų | 44.1 | 25% | 0.246 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -40.2 | -174.8 | -61.9 | 152.7 | 0 | 0 | 0 | 112.3 | L816 A820 A824 A852 A854 | L816-I822 HydrophobicContact CD2-CD1 4.31Å; L816-I822 HydrophobicContact CD2-CG1 3.66Å; A820-I822 PolarHBondContact O-N 3.29Å; A820-I822 VanDerWaalsContact O-N 3.13Å; I822-A824 VanDerWaalsContact C-N 3.34Å; I822-A852 HydrophobicContact CD1-CB 3.89Å; I822-A852 WeakPolarHBondContact CD1-O 3.28Å; I822-A852 HydrophobicContact CG1-CB 4.13Å; I822-A852 HydrophobicContact CG2-CB 4.16Å; I822-A854 HydrophobicContact CG2-CB 3.79Å |
| 823 | N | 85.9 | Confident | 86.7 | Confident | 79 Ų | 79 | 44.3 Ų | 44.3 | 42% | 0.422 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 15.5 | -176.2 | -62.3 | -28.7 | 0 | 0 | 0 | 112.4 | D855 L858 | N823-D855 WeakPolarHBondContact OD1-CB 3.27Å; N823-D855 PolarHBondContact OD1-N 2.95Å; N823-L858 HydrophobicContact CB-CD1 4.13Å |
| 824 | A | 86.7 | Confident | 86.8 | Confident | 6 Ų | 6 | 42 Ų | 42 | 5% | 0.05 | 22% | 0.224 | C | C | . | . | trans | -61.7 | 139.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T798 H801 E821 I822 | T798-A824 HydrophobicContact CG2-CB 3.94Å; H801-A824 PolarHBondContact CE1-O 2.97Å; H801-A824 PolarHBondContact NE2-O 3.3Å; E821-A824 HydrophobicContact CB-CB 3.91Å; E821-A824 WeakPolarHBondContact O-CB 3.3Å; E821-A824 PolarHBondContact O-N 3.39Å; I822-A824 VanDerWaalsContact C-N 3.34Å | ||
| 825 | V | 87.8 | Confident | 87 | Confident | 51 Ų | 51 | 42.3 Ų | 42.3 | 31% | 0.309 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -115.6 | 143.3 | 177 | -64.5 | 0 | 0 | 0 | 0 | 110.5 | R792 R830 L858 | R792-V825 PolarHBondContact NH1-O 3.09Å; V825-R830 WeakPolarHBondContact CA-O 3.28Å; V825-L858 HydrophobicContact CG1-CD1 4.47Å |
| 826 | D | 88.6 | Confident | 87.2 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 4% | 0.043 | 23% | 0.226 | C | C | . | . | trans | -70.1 | 178 | 169.5 | 76 | 4 | 0 | 0 | 0 | 111.5 | R797 S828 G829 R830 | R797-D826 HydrophobicContact CG-CB 3.76Å; D826-S828 PolarHBondContact O-N 3.19Å; D826-S828 VanDerWaalsContact O-N 3.09Å; D826-S828 VanDerWaalsContact OD1-C 3.3Å; D826-S828 VanDerWaalsContact OD1-CA 3.28Å; D826-S828 WeakPolarHBondContact OD1-CA 3.47Å; D826-S828 WeakPolarHBondContact OD1-CB 3.48Å; D826-S828 PolarHBondContact OD1-N 3.06Å; D826-S828 PolarHBondContact OD1-OG 3.48Å; D826-S828 PolarHBondContact OD2-OG 3.49Å; D826-G829 PolarHBondContact O-N 2.76Å; D826-G829 PolarHBondContact OD1-N 2.82Å; D826-R830 PolarHBondContact N-O 2.92Å; D826-R830 WeakPolarHBondContact OD1-CB 2.88Å; D826-R830 PolarHBondContact OD1-N 2.98Å; D826-R830 IonicContact OD2-CZ 3.6Å; D826-R830 IonicContact OD2-NE 3.78Å; D826-R830 PolarHBondContact OD2-NE 3.21Å; D826-R830 IonicContact OD2-NH2 3.93Å; D826-R830 PolarHBondContact OD2-NH2 3.22Å; D826-R830 VanDerWaalsContact OD2-NH2 3.16Å | ||
| 827 | T | 87.9 | Confident | 87.4 | Confident | 100 Ų | 100 | 40.6 Ų | 40.6 | 61% | 0.613 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -19.4 | 178.5 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | K795 | K795-T827 WeakPolarHBondContact O-CG2 3.22Å; K795-T827 PolarHBondContact O-N 3.32Å; K795-T827 VanDerWaalsContact O-N 3.07Å; K795-T827 PolarHBondContact O-OG1 2.83Å |
| 828 | S | 85.8 | Confident | 87.6 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 13% | 0.133 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 12.7 | 176.9 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | D826 R830 E861 | D826-S828 PolarHBondContact O-N 3.19Å; D826-S828 VanDerWaalsContact O-N 3.09Å; D826-S828 VanDerWaalsContact OD1-C 3.3Å; D826-S828 VanDerWaalsContact OD1-CA 3.28Å; D826-S828 WeakPolarHBondContact OD1-CA 3.47Å; D826-S828 WeakPolarHBondContact OD1-CB 3.48Å; D826-S828 PolarHBondContact OD1-N 3.06Å; D826-S828 PolarHBondContact OD1-OG 3.48Å; D826-S828 PolarHBondContact OD2-OG 3.49Å; S828-R830 PolarHBondContact O-N 3.12Å; S828-R830 PolarHBondContact OG-NE 2.88Å; S828-R830 PolarHBondContact OG-NH2 2.67Å; S828-E861 WeakPolarHBondContact O-CG 3.33Å; S828-E861 PolarHBondContact O-N 3.45Å; S828-E861 VanDerWaalsContact O-N 3.12Å |
| 829 | G | 85.7 | Confident | 87.9 | Confident | 18 Ų | 18 | 36.2 Ų | 36.2 | 19% | 0.186 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 73 | 8.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | D826 | D826-G829 PolarHBondContact O-N 2.76Å; D826-G829 PolarHBondContact OD1-N 2.82Å |
| 830 | R | 89.4 | Confident | 88.2 | Confident | 93 Ų | 93 | 34.8 Ų | 34.8 | 35% | 0.351 | 19% | 0.186 | S | C | . | . | trans | -85.2 | 128.5 | -178.2 | -64.3 | -177.9 | -61.9 | -169.3 | -5.6 | 110.7 | H801 V825 D826 S828 M834 V835 D860 | H801-R830 PolarHBondContact NE2-O 3.49Å; V825-R830 WeakPolarHBondContact CA-O 3.28Å; D826-R830 PolarHBondContact N-O 2.92Å; D826-R830 WeakPolarHBondContact OD1-CB 2.88Å; D826-R830 PolarHBondContact OD1-N 2.98Å; D826-R830 IonicContact OD2-CZ 3.6Å; D826-R830 IonicContact OD2-NE 3.78Å; D826-R830 PolarHBondContact OD2-NE 3.21Å; D826-R830 IonicContact OD2-NH2 3.93Å; D826-R830 PolarHBondContact OD2-NH2 3.22Å; D826-R830 VanDerWaalsContact OD2-NH2 3.16Å; S828-R830 PolarHBondContact O-N 3.12Å; S828-R830 PolarHBondContact OG-NE 2.88Å; S828-R830 PolarHBondContact OG-NH2 2.67Å; R830-M834 HydrophobicContact CB-CB 4.29Å; R830-M834 HydrophobicContact CB-SD 4.29Å; R830-M834 HydrophobicContact CG-SD 4.41Å; R830-V835 HydrophobicContact CB-CG2 4.37Å; R830-D860 HydrophobicContact CG-CB 3.91Å | ||
| 831 | S | 91.3 | Very high | 88.4 | Confident | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.021 | 19% | 0.187 | C | C | . | . | B | Isolated β-bridge | trans | -83.9 | 165 | 169.8 | 69.9 | 0 | 0 | 0 | 0 | 111.6 | L833 M834 V835 | S831-L833 PolarHBondContact O-N 3.09Å; S831-M834 WeakPolarHBondContact O-CB 3.39Å; S831-M834 PolarHBondContact O-N 3.03Å; S831-M834 PolarHBondContact OG-N 3.25Å; S831-V835 PolarHBondContact O-N 3.46Å |
| 832 | A | 88.5 | Confident | 88.5 | Confident | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -54.9 | -34.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L800 H801 A804 V835 A836 L848 | L800-A832 HydrophobicContact CD2-CB 3.89Å; L800-A832 HydrophobicContact CG-CB 3.78Å; H801-A832 PolarHBondContact NE2-N 3.15Å; A804-A832 HydrophobicContact CB-CB 3.94Å; A804-A832 WeakPolarHBondContact CB-O 3.45Å; A832-V835 PolarHBondContact O-N 2.93Å; A832-A836 WeakPolarHBondContact O-CB 3.49Å; A832-A836 PolarHBondContact O-N 3.32Å; A832-L848 HydrophobicContact CB-CD1 4.38Å |
| 833 | L | 90.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 31.9 Ų | 31.9 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.3 | -179.8 | 66.4 | 0 | 0 | 0 | 112 | S831 A836 A837 V845 L848 L849 A854 L856 A866 | S831-L833 PolarHBondContact O-N 3.09Å; L833-A836 PolarHBondContact O-N 2.85Å; L833-A837 VanDerWaalsContact O-CB 3.3Å; L833-A837 WeakPolarHBondContact O-CB 3.48Å; L833-A837 PolarHBondContact O-N 3.44Å; L833-V845 HydrophobicContact CD1-CG1 4.19Å; L833-V845 HydrophobicContact CD1-CG2 4.42Å; L833-L848 HydrophobicContact CB-CD1 4.26Å; L833-L848 HydrophobicContact CD1-CB 4.05Å; L833-L848 HydrophobicContact CD1-CD1 4.33Å; L833-L849 HydrophobicContact CD1-CD2 4.08Å; L833-L849 HydrophobicContact CD1-CG 4.15Å; L833-L849 HydrophobicContact CD2-CD2 3.85Å; L833-A854 HydrophobicContact CB-CB 4.34Å; L833-A854 HydrophobicContact CD2-CB 4.09Å; L833-L856 HydrophobicContact CD2-CD2 3.72Å; L833-A866 HydrophobicContact CD2-CB 4.09Å; L833-A866 HydrophobicContact CG-CB 4Å |
| 834 | M | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 28.1 Ų | 28.1 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.7 | -69.8 | 175.5 | -179.2 | 0 | 0 | 112.1 | R830 S831 A836 A837 D838 L858 D860 A866 L869 | R830-M834 HydrophobicContact CB-CB 4.29Å; R830-M834 HydrophobicContact CB-SD 4.29Å; R830-M834 HydrophobicContact CG-SD 4.41Å; S831-M834 WeakPolarHBondContact O-CB 3.39Å; S831-M834 PolarHBondContact O-N 3.03Å; S831-M834 PolarHBondContact OG-N 3.25Å; M834-A836 VanDerWaalsContact C-N 3.33Å; M834-A836 PolarHBondContact O-N 3.05Å; M834-A837 PolarHBondContact O-N 3.47Å; M834-D838 WeakPolarHBondContact O-CB 3.29Å; M834-D838 PolarHBondContact O-N 3.47Å; M834-L858 HydrophobicContact CE-CB 3.72Å; M834-L858 WeakPolarHBondContact CE-O 3.45Å; M834-D860 HydrophobicContact SD-CB 4.18Å; M834-A866 HydrophobicContact CG-CB 4.23Å; M834-L869 HydrophobicContact CB-CD1 3.67Å; M834-L869 HydrophobicContact CG-CD1 4.03Å |
| 835 | V | 90 | Very high | 88.6 | Confident | 18 Ų | 18 | 27.8 Ų | 27.8 | 11% | 0.109 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.2 | 176.1 | 0 | 0 | 0 | 0 | 110.7 | F805 R830 S831 A832 R839 | F805-V835 HydrophobicContact CB-CG1 4.16Å; F805-V835 HydrophobicContact CD2-CG1 4.4Å; R830-V835 HydrophobicContact CB-CG2 4.37Å; S831-V835 PolarHBondContact O-N 3.46Å; A832-V835 PolarHBondContact O-N 2.93Å; V835-R839 WeakPolarHBondContact O-CG 3.41Å; V835-R839 PolarHBondContact O-N 3.18Å |
| 836 | A | 90.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -65.7 | -40.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A804 A832 L833 M834 R839 G840 L841 T844 V845 L848 | A804-A836 HydrophobicContact CB-CB 4.43Å; A832-A836 WeakPolarHBondContact O-CB 3.49Å; A832-A836 PolarHBondContact O-N 3.32Å; L833-A836 PolarHBondContact O-N 2.85Å; M834-A836 VanDerWaalsContact C-N 3.33Å; M834-A836 PolarHBondContact O-N 3.05Å; A836-R839 PolarHBondContact O-N 3.29Å; A836-G840 PolarHBondContact O-N 2.84Å; A836-G840 VanDerWaalsContact O-N 3.07Å; A836-L841 PolarHBondContact O-N 3.08Å; A836-T844 HydrophobicContact CB-CG2 3.63Å; A836-V845 HydrophobicContact CB-CG2 3.8Å; A836-L848 HydrophobicContact CB-CD1 4.48Å |
| 837 | A | 90.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -68.4 | -38.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | L833 M834 R839 G840 A866 A870 H875 I882 | L833-A837 VanDerWaalsContact O-CB 3.3Å; L833-A837 WeakPolarHBondContact O-CB 3.48Å; L833-A837 PolarHBondContact O-N 3.44Å; M834-A837 PolarHBondContact O-N 3.47Å; A837-R839 VanDerWaalsContact C-N 3.27Å; A837-R839 PolarHBondContact O-N 2.85Å; A837-G840 PolarHBondContact O-N 3.09Å; A837-A866 HydrophobicContact CB-CB 4.12Å; A837-A866 WeakPolarHBondContact CB-O 3.38Å; A837-A870 HydrophobicContact CB-CB 4.33Å; A837-H875 PolarHBondContact O-CD2 3.34Å; A837-I882 HydrophobicContact CB-CD1 4.1Å |
| 838 | D | 90.4 | Very high | 88.5 | Confident | 42 Ų | 42 | 22.6 Ų | 22.6 | 23% | 0.225 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.1 | -27 | 175.4 | -176.4 | 63.9 | 0 | 0 | 0 | 112.6 | M834 L869 K873 H875 | M834-D838 WeakPolarHBondContact O-CB 3.29Å; M834-D838 PolarHBondContact O-N 3.47Å; D838-L869 HydrophobicContact CB-CB 4.38Å; D838-K873 WeakPolarHBondContact OD1-CE 3.2Å; D838-H875 PolarHBondContact O-NE2 2.98Å |
| 839 | R | 88.6 | Confident | 88.5 | Confident | 115 Ų | 115 | 22.1 Ų | 22.1 | 43% | 0.434 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -93.7 | -10.9 | 178 | -70 | -64.9 | -176.1 | 94.4 | -13.2 | 114.8 | F805 V835 A836 A837 L841 | F805-R839 VanDerWaalsContact CE2-NH1 3.26Å; V835-R839 WeakPolarHBondContact O-CG 3.41Å; V835-R839 PolarHBondContact O-N 3.18Å; A836-R839 PolarHBondContact O-N 3.29Å; A837-R839 VanDerWaalsContact C-N 3.27Å; A837-R839 PolarHBondContact O-N 2.85Å; R839-L841 HydrophobicContact CB-CD1 4.09Å; R839-L841 HydrophobicContact CB-CD2 4.41Å; R839-L841 HydrophobicContact CB-CG 3.82Å |
| 840 | G | 87.9 | Confident | 88.4 | Confident | 21 Ų | 21 | 26.4 Ų | 26.4 | 22% | 0.216 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 22.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A836 A837 S842 H875 C878 | A836-G840 PolarHBondContact O-N 2.84Å; A836-G840 VanDerWaalsContact O-N 3.07Å; A837-G840 PolarHBondContact O-N 3.09Å; G840-S842 PolarHBondContact O-N 3.06Å; G840-H875 WeakPolarHBondContact CA-CD2 3.36Å; G840-H875 PolarHBondContact N-CD2 2.94Å; G840-H875 VanDerWaalsContact N-CD2 3.26Å; G840-H875 PolarHBondContact N-NE2 3.42Å; G840-C878 PolarHBondContact O-SG 3.17Å; G840-C878 VanDerWaalsContact O-SG 3.4Å |
| 841 | L | 88.6 | Confident | 87.9 | Confident | 17 Ų | 17 | 28.7 Ų | 28.7 | 9% | 0.089 | 15% | 0.149 | C | C | . | . | trans | -83.4 | 78.9 | -173.6 | -55.8 | -177.6 | 0 | 0 | 0 | 111.6 | A804 E807 A836 R839 G843 T844 V845 | A804-L841 WeakPolarHBondContact O-CD1 3.43Å; E807-L841 HydrophobicContact CB-CD1 3.94Å; E807-L841 HydrophobicContact CB-CD2 3.69Å; E807-L841 HydrophobicContact CB-CG 4.29Å; E807-L841 HydrophobicContact CG-CB 4.29Å; E807-L841 HydrophobicContact CG-CD1 4.42Å; E807-L841 HydrophobicContact CG-CD2 3.72Å; E807-L841 HydrophobicContact CG-CG 4.34Å; A836-L841 PolarHBondContact O-N 3.08Å; R839-L841 HydrophobicContact CB-CD1 4.09Å; R839-L841 HydrophobicContact CB-CD2 4.41Å; R839-L841 HydrophobicContact CB-CG 3.82Å; L841-G843 VanDerWaalsContact C-N 3.31Å; L841-G843 PolarHBondContact O-N 3.43Å; L841-T844 WeakPolarHBondContact O-CB 3.43Å; L841-T844 PolarHBondContact O-N 2.87Å; L841-T844 VanDerWaalsContact O-N 3.17Å; L841-V845 WeakPolarHBondContact O-CG2 3.32Å; L841-V845 PolarHBondContact O-N 3.3Å | ||
| 842 | S | 88.5 | Confident | 87.2 | Confident | 46 Ų | 46 | 29.4 Ų | 29.4 | 32% | 0.322 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -58.6 | -36.2 | -171.6 | 62.5 | 0 | 0 | 0 | 0 | 114.4 | G840 V845 A846 C878 L881 | G840-S842 PolarHBondContact O-N 3.06Å; S842-V845 PolarHBondContact O-N 3.43Å; S842-A846 WeakPolarHBondContact O-CB 3.41Å; S842-A846 PolarHBondContact O-N 3.01Å; S842-C878 VanDerWaalsContact CA-SG 3.5Å; S842-C878 PolarHBondContact N-SG 3.33Å; S842-C878 VanDerWaalsContact N-SG 3.42Å; S842-L881 WeakPolarHBondContact O-CD1 3.42Å |
| 843 | G | 84.7 | Confident | 86.9 | Confident | 27 Ų | 27 | 37.8 Ų | 37.8 | 28% | 0.278 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -65.8 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L841 A846 I847 | L841-G843 VanDerWaalsContact C-N 3.31Å; L841-G843 PolarHBondContact O-N 3.43Å; G843-A846 PolarHBondContact O-N 3.36Å; G843-I847 WeakPolarHBondContact O-CG1 3.39Å; G843-I847 PolarHBondContact O-N 3.4Å; G843-I847 VanDerWaalsContact O-N 3.14Å |
| 844 | T | 87.2 | Confident | 86.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.2 | -45.2 | 174.9 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | A804 L812 A836 L841 I847 L848 | A804-T844 HydrophobicContact CB-CG2 4.15Å; L812-T844 HydrophobicContact CD1-CG2 4.07Å; L812-T844 HydrophobicContact CD2-CG2 3.64Å; L812-T844 HydrophobicContact CG-CG2 4.45Å; A836-T844 HydrophobicContact CB-CG2 3.63Å; L841-T844 WeakPolarHBondContact O-CB 3.43Å; L841-T844 PolarHBondContact O-N 2.87Å; L841-T844 VanDerWaalsContact O-N 3.17Å; T844-I847 PolarHBondContact O-N 3.31Å; T844-L848 HydrophobicContact CG2-CD1 4.04Å; T844-L848 WeakPolarHBondContact O-CG 3.4Å; T844-L848 PolarHBondContact O-N 2.9Å |
| 845 | V | 87.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 176.6 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L833 A836 L841 S842 I847 L848 L849 L881 I882 | L833-V845 HydrophobicContact CD1-CG1 4.19Å; L833-V845 HydrophobicContact CD1-CG2 4.42Å; A836-V845 HydrophobicContact CB-CG2 3.8Å; L841-V845 WeakPolarHBondContact O-CG2 3.32Å; L841-V845 PolarHBondContact O-N 3.3Å; S842-V845 PolarHBondContact O-N 3.43Å; V845-I847 VanDerWaalsContact C-N 3.3Å; V845-I847 PolarHBondContact O-N 3.33Å; V845-L848 PolarHBondContact O-N 3.05Å; V845-L849 HydrophobicContact CG1-CD1 3.65Å; V845-L849 HydrophobicContact CG1-CG 4.28Å; V845-L849 WeakPolarHBondContact O-CB 3.38Å; V845-L849 VanDerWaalsContact O-CG 3.22Å; V845-L849 WeakPolarHBondContact O-CG 3.34Å; V845-L849 PolarHBondContact O-N 3.45Å; V845-L881 HydrophobicContact CG1-CB 4.38Å; V845-I882 HydrophobicContact CG1-CD1 4.2Å; V845-I882 HydrophobicContact CG1-CG1 3.79Å |
| 846 | A | 87.6 | Confident | 86.1 | Confident | 24 Ų | 24 | 41.4 Ų | 41.4 | 20% | 0.198 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.1 | -41.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | S842 G843 H850 L881 | S842-A846 WeakPolarHBondContact O-CB 3.41Å; S842-A846 PolarHBondContact O-N 3.01Å; G843-A846 PolarHBondContact O-N 3.36Å; A846-H850 WeakPolarHBondContact O-CB 3.47Å; A846-H850 PolarHBondContact O-CD2 3.13Å; A846-H850 PolarHBondContact O-N 3.4Å; A846-L881 HydrophobicContact CB-CD1 4.16Å |
| 847 | I | 86.9 | Confident | 85.8 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70.8 | -44.7 | -179.6 | -67.4 | 164.5 | 0 | 0 | 0 | 111.4 | V809 L812 Q813 L816 G843 T844 V845 L849 R851 A852 | V809-I847 HydrophobicContact CB-CD1 4.19Å; V809-I847 HydrophobicContact CG1-CD1 3.33Å; V809-I847 HydrophobicContact CG2-CD1 4.11Å; L812-I847 HydrophobicContact CD2-CB 4.11Å; L812-I847 HydrophobicContact CD2-CG2 3.97Å; Q813-I847 HydrophobicContact CG-CD1 4.22Å; Q813-I847 HydrophobicContact CG-CG2 4.2Å; L816-I847 HydrophobicContact CD1-CG2 4.07Å; G843-I847 WeakPolarHBondContact O-CG1 3.39Å; G843-I847 PolarHBondContact O-N 3.4Å; G843-I847 VanDerWaalsContact O-N 3.14Å; T844-I847 PolarHBondContact O-N 3.31Å; V845-I847 VanDerWaalsContact C-N 3.3Å; V845-I847 PolarHBondContact O-N 3.33Å; I847-L849 VanDerWaalsContact C-N 3.26Å; I847-L849 PolarHBondContact O-N 3.19Å; I847-R851 HydrophobicContact CG2-CB 4.33Å; I847-R851 WeakPolarHBondContact O-CA 3.46Å; I847-R851 VanDerWaalsContact O-CB 3.26Å; I847-R851 WeakPolarHBondContact O-CB 3.49Å; I847-R851 PolarHBondContact O-N 3Å; I847-A852 PolarHBondContact O-N 2.88Å; I847-A852 VanDerWaalsContact O-N 3.12Å |
| 848 | L | 87.1 | Confident | 85.6 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.4 | -36.3 | 177.8 | -71.7 | 173.3 | 0 | 0 | 0 | 111.7 | L812 L816 A832 L833 A836 T844 V845 A852 K853 A854 | L812-L848 HydrophobicContact CD1-CD2 4.34Å; L812-L848 HydrophobicContact CD2-CD2 4.45Å; L812-L848 HydrophobicContact CD2-CG 4.2Å; L816-L848 HydrophobicContact CD1-CD2 4.35Å; A832-L848 HydrophobicContact CB-CD1 4.38Å; L833-L848 HydrophobicContact CB-CD1 4.26Å; L833-L848 HydrophobicContact CD1-CB 4.05Å; L833-L848 HydrophobicContact CD1-CD1 4.33Å; A836-L848 HydrophobicContact CB-CD1 4.48Å; T844-L848 HydrophobicContact CG2-CD1 4.04Å; T844-L848 WeakPolarHBondContact O-CG 3.4Å; T844-L848 PolarHBondContact O-N 2.9Å; V845-L848 PolarHBondContact O-N 3.05Å; L848-A852 HydrophobicContact CD2-CB 4.39Å; L848-A852 CarbonylContact O-C 3.59Å; L848-A852 WeakPolarHBondContact O-CB 3.26Å; L848-K853 PolarHBondContact O-N 2.88Å; L848-K853 VanDerWaalsContact O-N 3.09Å; L848-A854 HydrophobicContact CB-CB 4.24Å; L848-A854 WeakPolarHBondContact O-CB 3.44Å; L848-A854 PolarHBondContact O-N 3.39Å |
| 849 | L | 85.7 | Confident | 85.5 | Confident | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.052 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -76 | -60.6 | 177.7 | -66 | 175.5 | 0 | 0 | 0 | 112.7 | L833 V845 I847 K853 L856 I882 E885 | L833-L849 HydrophobicContact CD1-CD2 4.08Å; L833-L849 HydrophobicContact CD1-CG 4.15Å; L833-L849 HydrophobicContact CD2-CD2 3.85Å; V845-L849 HydrophobicContact CG1-CD1 3.65Å; V845-L849 HydrophobicContact CG1-CG 4.28Å; V845-L849 WeakPolarHBondContact O-CB 3.38Å; V845-L849 VanDerWaalsContact O-CG 3.22Å; V845-L849 WeakPolarHBondContact O-CG 3.34Å; V845-L849 PolarHBondContact O-N 3.45Å; I847-L849 VanDerWaalsContact C-N 3.26Å; I847-L849 PolarHBondContact O-N 3.19Å; L849-K853 WeakPolarHBondContact O-CA 3.48Å; L849-K853 PolarHBondContact O-N 3.49Å; L849-L856 HydrophobicContact CD2-CD1 4.3Å; L849-L856 HydrophobicContact CD2-CD2 3.65Å; L849-L856 HydrophobicContact CD2-CG 4.11Å; L849-I882 HydrophobicContact CD1-CB 4.41Å; L849-I882 HydrophobicContact CD1-CG1 3.86Å; L849-E885 HydrophobicContact CB-CG 4.37Å |
| 850 | H | 83.3 | Confident | 85.5 | Confident | 107 Ų | 107 | 44.4 Ų | 44.4 | 50% | 0.495 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -77.4 | -32.4 | -170.3 | -63 | -61.8 | 0 | 0 | 0 | 113.4 | A846 E885 | A846-H850 WeakPolarHBondContact O-CB 3.47Å; A846-H850 PolarHBondContact O-CD2 3.13Å; A846-H850 PolarHBondContact O-N 3.4Å; H850-E885 IonicContact CE1-OE1 3.64Å; H850-E885 PolarHBondContact CE1-OE1 3.26Å; H850-E885 IonicContact ND1-OE1 2.73Å; H850-E885 PolarHBondContact ND1-OE1 2.96Å |
| 851 | R | 80.3 | Confident | 85.5 | Confident | 142 Ų | 142 | 50.3 Ų | 50.3 | 54% | 0.536 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | -42.8 | -174.6 | -163.9 | 178.7 | -179.1 | 179.9 | 1.4 | 112.8 | Q813 I847 | Q813-R851 VanDerWaalsContact CD-NH1 3.25Å; I847-R851 HydrophobicContact CG2-CB 4.33Å; I847-R851 WeakPolarHBondContact O-CA 3.46Å; I847-R851 VanDerWaalsContact O-CB 3.26Å; I847-R851 WeakPolarHBondContact O-CB 3.49Å; I847-R851 PolarHBondContact O-N 3Å |
| 852 | A | 76 | Confident | 85.3 | Confident | 17 Ų | 17 | 53.7 Ų | 53.7 | 14% | 0.14 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -13.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | L816 I822 I847 L848 A854 | L816-A852 HydrophobicContact CD1-CB 4.12Å; L816-A852 HydrophobicContact CD2-CB 3.97Å; I822-A852 HydrophobicContact CD1-CB 3.89Å; I822-A852 WeakPolarHBondContact CD1-O 3.28Å; I822-A852 HydrophobicContact CG1-CB 4.13Å; I822-A852 HydrophobicContact CG2-CB 4.16Å; I847-A852 PolarHBondContact O-N 2.88Å; I847-A852 VanDerWaalsContact O-N 3.12Å; L848-A852 HydrophobicContact CD2-CB 4.39Å; L848-A852 CarbonylContact O-C 3.59Å; L848-A852 WeakPolarHBondContact O-CB 3.26Å; A852-A854 VanDerWaalsContact C-N 3.3Å; A852-A854 PolarHBondContact O-N 2.89Å |
| 853 | K | 83.1 | Confident | 85.2 | Confident | 177 Ų | 177 | 59.5 Ų | 59.5 | 77% | 0.77 | 29% | 0.294 | S | S | * | . | trans | 51 | 49.1 | -175.8 | -60 | -177 | 178.4 | -178.6 | 0 | 112.2 | L848 L849 | L848-K853 PolarHBondContact O-N 2.88Å; L848-K853 VanDerWaalsContact O-N 3.09Å; L849-K853 WeakPolarHBondContact O-CA 3.48Å; L849-K853 PolarHBondContact O-N 3.49Å | ||
| 854 | A | 84.8 | Confident | 85.4 | Confident | 11 Ų | 11 | 59.2 Ų | 59.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | trans | -57.2 | 142.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I822 L833 L848 A852 L856 | I822-A854 HydrophobicContact CG2-CB 3.79Å; L833-A854 HydrophobicContact CB-CB 4.34Å; L833-A854 HydrophobicContact CD2-CB 4.09Å; L848-A854 HydrophobicContact CB-CB 4.24Å; L848-A854 WeakPolarHBondContact O-CB 3.44Å; L848-A854 PolarHBondContact O-N 3.39Å; A852-A854 VanDerWaalsContact C-N 3.3Å; A852-A854 PolarHBondContact O-N 2.89Å; A854-L856 PolarHBondContact O-N 3.07Å | ||
| 855 | D | 84.8 | Confident | 85.5 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | trans | -73.4 | 118.9 | -178.5 | -171.3 | -4.1 | 0 | 0 | 0 | 111.2 | N823 T857 L858 | N823-D855 WeakPolarHBondContact OD1-CB 3.27Å; N823-D855 PolarHBondContact OD1-N 2.95Å; D855-T857 VanDerWaalsContact C-N 3.31Å; D855-T857 WeakPolarHBondContact OD1-CB 3.47Å; D855-T857 WeakPolarHBondContact OD1-CG2 3.25Å; D855-T857 PolarHBondContact OD1-N 3.16Å; D855-T857 PolarHBondContact OD1-OG1 3.46Å; D855-T857 PolarHBondContact OD2-OG1 2.99Å; D855-T857 VanDerWaalsContact OD2-OG1 3.09Å; D855-L858 HydrophobicContact CB-CD1 4.27Å; D855-L858 HydrophobicContact CB-CG 4.08Å | ||
| 856 | L | 83.4 | Confident | 85.5 | Confident | 30 Ų | 30 | 59.7 Ų | 59.7 | 16% | 0.157 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -9.2 | 180 | -72.4 | 168.5 | 0 | 0 | 0 | 113.3 | L833 L849 A854 I882 E885 I886 L891 | L833-L856 HydrophobicContact CD2-CD2 3.72Å; L849-L856 HydrophobicContact CD2-CD1 4.3Å; L849-L856 HydrophobicContact CD2-CD2 3.65Å; L849-L856 HydrophobicContact CD2-CG 4.11Å; A854-L856 PolarHBondContact O-N 3.07Å; L856-I882 HydrophobicContact CD2-CG2 3.93Å; L856-E885 HydrophobicContact CD1-CB 4.39Å; L856-I886 HydrophobicContact CD1-CG1 3.87Å; L856-L891 HydrophobicContact CB-CD1 4.34Å |
| 857 | T | 84.8 | Confident | 85.5 | Confident | 79 Ų | 79 | 58.6 Ų | 58.6 | 49% | 0.485 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -10.3 | -178.3 | 70.6 | 0 | 0 | 0 | 0 | 113.5 | D855 L891 | D855-T857 VanDerWaalsContact C-N 3.31Å; D855-T857 WeakPolarHBondContact OD1-CB 3.47Å; D855-T857 WeakPolarHBondContact OD1-CG2 3.25Å; D855-T857 PolarHBondContact OD1-N 3.16Å; D855-T857 PolarHBondContact OD1-OG1 3.46Å; D855-T857 PolarHBondContact OD2-OG1 2.99Å; D855-T857 VanDerWaalsContact OD2-OG1 3.09Å; T857-L891 HydrophobicContact CG2-CD1 4.38Å; T857-L891 HydrophobicContact CG2-CD2 4.31Å |
| 858 | L | 86.6 | Confident | 85.7 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 20% | 0.199 | 27% | 0.274 | C | S | . | . | trans | -61.1 | 145.9 | 178.2 | -61.6 | 177.9 | 0 | 0 | 0 | 110.5 | N823 V825 M834 D855 | N823-L858 HydrophobicContact CB-CD1 4.13Å; V825-L858 HydrophobicContact CG1-CD1 4.47Å; M834-L858 HydrophobicContact CE-CB 3.72Å; M834-L858 WeakPolarHBondContact CE-O 3.45Å; D855-L858 HydrophobicContact CB-CD1 4.27Å; D855-L858 HydrophobicContact CB-CG 4.08Å | ||
| 859 | L | 88.1 | Confident | 85.8 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 44% | 0.44 | 28% | 0.278 | S | S | . | . | trans | -127.8 | 136.8 | -178.2 | -62 | 180 | 0 | 0 | 0 | 110.3 | R863 T865 | L859-R863 HydrophobicContact CD1-CB 4.45Å; L859-T865 HydrophobicContact CD2-CG2 3.59Å | ||
| 860 | D | 87.9 | Confident | 86 | Confident | 18 Ų | 18 | 57.7 Ų | 57.7 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | trans | -74.6 | 178.2 | 169.6 | 75.8 | -0.5 | 0 | 0 | 0 | 111.7 | R830 M834 N862 R863 N864 | R830-D860 HydrophobicContact CG-CB 3.91Å; M834-D860 HydrophobicContact SD-CB 4.18Å; D860-N862 PolarHBondContact O-N 3.42Å; D860-N862 VanDerWaalsContact OD1-C 3.25Å; D860-N862 VanDerWaalsContact OD1-CA 3.31Å; D860-N862 WeakPolarHBondContact OD1-CA 3.46Å; D860-N862 WeakPolarHBondContact OD1-CB 3.5Å; D860-N862 PolarHBondContact OD1-N 2.9Å; D860-R863 PolarHBondContact O-N 3.13Å; D860-R863 PolarHBondContact OD1-N 2.84Å; D860-R863 VanDerWaalsContact OD1-N 3.08Å; D860-N864 PolarHBondContact N-O 3.38Å; D860-N864 VanDerWaalsContact N-O 3.16Å; D860-N864 WeakPolarHBondContact OD1-CB 3.45Å; D860-N864 PolarHBondContact OD1-N 3.15Å; D860-N864 PolarHBondContact OD1-ND2 3.15Å; D860-N864 WeakPolarHBondContact OD2-CB 3.4Å; D860-N864 PolarHBondContact OD2-ND2 2.89Å | ||
| 861 | E | 88.2 | Confident | 86.3 | Confident | 145 Ų | 145 | 52.6 Ų | 52.6 | 68% | 0.678 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -29.2 | 174.5 | -82.3 | 176.8 | 172.9 | 0 | 0 | 114.2 | S828 | S828-E861 WeakPolarHBondContact O-CG 3.33Å; S828-E861 PolarHBondContact O-N 3.45Å; S828-E861 VanDerWaalsContact O-N 3.12Å |
| 862 | N | 85.6 | Confident | 86.8 | Confident | 88 Ų | 88 | 48 Ų | 48 | 47% | 0.471 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96 | 13.4 | -179.8 | -65.6 | -45.5 | 0 | 0 | 0 | 113 | D860 N864 S897 | D860-N862 PolarHBondContact O-N 3.42Å; D860-N862 VanDerWaalsContact OD1-C 3.25Å; D860-N862 VanDerWaalsContact OD1-CA 3.31Å; D860-N862 WeakPolarHBondContact OD1-CA 3.46Å; D860-N862 WeakPolarHBondContact OD1-CB 3.5Å; D860-N862 PolarHBondContact OD1-N 2.9Å; N862-N864 WeakPolarHBondContact CB-ND2 3.35Å; N862-N864 PolarHBondContact O-N 2.98Å; N862-S897 WeakPolarHBondContact O-CB 3.48Å; N862-S897 PolarHBondContact O-N 3.09Å; N862-S897 PolarHBondContact O-OG 3Å; N862-S897 VanDerWaalsContact O-OG 3.09Å |
| 863 | R | 85.4 | Confident | 87.4 | Confident | 169 Ų | 169 | 52.6 Ų | 52.6 | 64% | 0.638 | 26% | 0.258 | S | S | * | . | trans | 57.8 | 25.9 | -174.3 | -59 | -176.4 | 169.8 | -170 | -2.4 | 114.1 | L859 D860 | L859-R863 HydrophobicContact CD1-CB 4.45Å; D860-R863 PolarHBondContact O-N 3.13Å; D860-R863 PolarHBondContact OD1-N 2.84Å; D860-R863 VanDerWaalsContact OD1-N 3.08Å | ||
| 864 | N | 88.2 | Confident | 87.6 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.107 | 24% | 0.24 | C | C | . | . | trans | -80.3 | 134.8 | 172.1 | -60 | -55.2 | 0 | 0 | 0 | 110.2 | D860 N862 H868 L869 N896 | D860-N864 PolarHBondContact N-O 3.38Å; D860-N864 VanDerWaalsContact N-O 3.16Å; D860-N864 WeakPolarHBondContact OD1-CB 3.45Å; D860-N864 PolarHBondContact OD1-N 3.15Å; D860-N864 PolarHBondContact OD1-ND2 3.15Å; D860-N864 WeakPolarHBondContact OD2-CB 3.4Å; D860-N864 PolarHBondContact OD2-ND2 2.89Å; N862-N864 WeakPolarHBondContact CB-ND2 3.35Å; N862-N864 PolarHBondContact O-N 2.98Å; N864-H868 HydrophobicContact CB-CB 3.84Å; N864-L869 HydrophobicContact CB-CD2 4.13Å; N864-L869 HydrophobicContact CB-CG 4.16Å; N864-N896 WeakPolarHBondContact OD1-CB 3.35Å; N864-N896 PolarHBondContact OD1-ND2 3.31Å; N864-N896 VanDerWaalsContact OD1-ND2 3.12Å | ||
| 865 | T | 89.8 | Confident | 87.9 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 4% | 0.037 | 25% | 0.248 | C | C | . | . | trans | -82.3 | 167.2 | 162.8 | 69.1 | 0 | 0 | 0 | 0 | 110.2 | L859 L867 H868 L869 A894 | L859-T865 HydrophobicContact CD2-CG2 3.59Å; T865-L867 PolarHBondContact O-N 3.3Å; T865-L867 VanDerWaalsContact O-N 3.13Å; T865-L867 PolarHBondContact OG1-N 3.19Å; T865-H868 PolarHBondContact N-ND1 3.37Å; T865-H868 WeakPolarHBondContact O-CB 3.34Å; T865-H868 PolarHBondContact O-N 3.06Å; T865-H868 PolarHBondContact OG1-ND1 3.31Å; T865-L869 PolarHBondContact O-N 2.77Å; T865-A894 HydrophobicContact CG2-CB 4.44Å | ||
| 866 | A | 87.3 | Confident | 88.1 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -54.6 | -32.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L833 M834 A837 L869 A870 I882 | L833-A866 HydrophobicContact CD2-CB 4.09Å; L833-A866 HydrophobicContact CG-CB 4Å; M834-A866 HydrophobicContact CG-CB 4.23Å; A837-A866 HydrophobicContact CB-CB 4.12Å; A837-A866 WeakPolarHBondContact CB-O 3.38Å; A866-L869 PolarHBondContact O-N 3.33Å; A866-A870 PolarHBondContact O-N 2.93Å; A866-I882 HydrophobicContact CB-CD1 4.1Å |
| 867 | L | 89.1 | Confident | 88.3 | Confident | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.5 | -39 | 176.1 | -177.3 | 62.2 | 0 | 0 | 0 | 112.4 | T865 L869 C871 A879 I882 L883 I886 P902 L918 | T865-L867 PolarHBondContact O-N 3.3Å; T865-L867 VanDerWaalsContact O-N 3.13Å; T865-L867 PolarHBondContact OG1-N 3.19Å; L867-L869 VanDerWaalsContact C-N 3.35Å; L867-C871 WeakPolarHBondContact O-CB 3.33Å; L867-C871 PolarHBondContact O-N 2.84Å; L867-C871 PolarHBondContact O-SG 3.26Å; L867-A879 HydrophobicContact CD1-CB 4.15Å; L867-I882 HydrophobicContact CB-CG2 3.96Å; L867-I882 HydrophobicContact CD1-CB 4.43Å; L867-I882 HydrophobicContact CD1-CG2 4.2Å; L867-L883 HydrophobicContact CD1-CD1 4.23Å; L867-L883 HydrophobicContact CD1-CD2 4.1Å; L867-L883 HydrophobicContact CD1-CG 3.76Å; L867-L883 HydrophobicContact CD2-CD2 3.63Å; L867-L883 HydrophobicContact CD2-CG 4.25Å; L867-I886 HydrophobicContact CB-CD1 4.45Å; L867-I886 HydrophobicContact CD2-CD1 3.91Å; L867-P902 HydrophobicContact CD2-CB 3.81Å; L867-P902 HydrophobicContact CD2-CG 3.72Å; L867-P902 HydrophobicContact CG-CB 3.86Å; L867-P902 HydrophobicContact CG-CG 3.99Å; L867-L918 HydrophobicContact CD2-CD2 4.41Å |
| 868 | H | 90 | Very high | 88.5 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -44.3 | 174.8 | -70.5 | 87.5 | 0 | 0 | 0 | 110.9 | N864 T865 C871 S872 A894 Q900 P902 L905 | N864-H868 HydrophobicContact CB-CB 3.84Å; T865-H868 PolarHBondContact N-ND1 3.37Å; T865-H868 WeakPolarHBondContact O-CB 3.34Å; T865-H868 PolarHBondContact O-N 3.06Å; T865-H868 PolarHBondContact OG1-ND1 3.31Å; H868-C871 PolarHBondContact O-N 3.48Å; H868-S872 WeakPolarHBondContact O-CB 3.48Å; H868-S872 PolarHBondContact O-N 3.49Å; H868-A894 PolarHBondContact CE1-O 3.16Å; H868-A894 PolarHBondContact NE2-O 3.46Å; H868-A894 VanDerWaalsContact NE2-O 3.09Å; H868-Q900 PolarHBondContact CD2-O 3.47Å; H868-Q900 PolarHBondContact NE2-O 2.79Å; H868-Q900 VanDerWaalsContact NE2-O 3.13Å; H868-P902 WeakPolarHBondContact NE2-CD 3.19Å; H868-L905 HydrophobicContact CB-CD1 4.04Å |
| 869 | L | 89.8 | Confident | 88.6 | Confident | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.079 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 179.6 | -64.2 | 172.9 | 0 | 0 | 0 | 111.7 | M834 D838 N864 T865 A866 L867 C871 S872 K873 | M834-L869 HydrophobicContact CB-CD1 3.67Å; M834-L869 HydrophobicContact CG-CD1 4.03Å; D838-L869 HydrophobicContact CB-CB 4.38Å; N864-L869 HydrophobicContact CB-CD2 4.13Å; N864-L869 HydrophobicContact CB-CG 4.16Å; T865-L869 PolarHBondContact O-N 2.77Å; A866-L869 PolarHBondContact O-N 3.33Å; L867-L869 VanDerWaalsContact C-N 3.35Å; L869-C871 PolarHBondContact O-N 2.87Å; L869-S872 PolarHBondContact O-N 2.98Å; L869-K873 PolarHBondContact O-N 3.31Å |
| 870 | A | 90.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.1 | -43.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A837 A866 A874 H875 C878 A879 I882 | A837-A870 HydrophobicContact CB-CB 4.33Å; A866-A870 PolarHBondContact O-N 2.93Å; A870-A874 PolarHBondContact O-N 3.49Å; A870-H875 PolarHBondContact O-N 3.02Å; A870-C878 HydrophobicContact CB-CB 4.15Å; A870-A879 HydrophobicContact CB-CB 4.09Å; A870-I882 HydrophobicContact CB-CD1 4.31Å |
| 871 | C | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -69.3 | -38.7 | 177.4 | -64.7 | 0 | 0 | 0 | 0 | 111.9 | L867 H868 L869 K873 A874 L905 A906 N909 | L867-C871 WeakPolarHBondContact O-CB 3.33Å; L867-C871 PolarHBondContact O-N 2.84Å; L867-C871 PolarHBondContact O-SG 3.26Å; H868-C871 PolarHBondContact O-N 3.48Å; L869-C871 PolarHBondContact O-N 2.87Å; C871-K873 VanDerWaalsContact C-N 3.35Å; C871-K873 PolarHBondContact O-N 3.47Å; C871-A874 PolarHBondContact O-N 2.88Å; C871-L905 HydrophobicContact CB-CB 3.84Å; C871-A906 HydrophobicContact CB-CB 4.37Å; C871-N909 PolarHBondContact O-ND2 2.94Å |
| 872 | S | 89.6 | Confident | 88.6 | Confident | 47 Ų | 47 | 41.8 Ų | 41.8 | 33% | 0.329 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -37.4 | 179.5 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | H868 L869 N909 | H868-S872 WeakPolarHBondContact O-CB 3.48Å; H868-S872 PolarHBondContact O-N 3.49Å; L869-S872 PolarHBondContact O-N 2.98Å; S872-N909 PolarHBondContact O-ND2 3.13Å |
| 873 | K | 87.9 | Confident | 88.6 | Confident | 112 Ų | 112 | 37.7 Ų | 37.7 | 49% | 0.487 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 5.4 | 178.6 | -60.8 | -63 | -173 | -178.1 | 0 | 114.5 | D838 L869 C871 H875 | D838-K873 WeakPolarHBondContact OD1-CE 3.2Å; L869-K873 PolarHBondContact O-N 3.31Å; C871-K873 VanDerWaalsContact C-N 3.35Å; C871-K873 PolarHBondContact O-N 3.47Å; K873-H875 VanDerWaalsContact CB-CD2 3.43Å; K873-H875 WeakPolarHBondContact CB-CD2 3.47Å; K873-H875 WeakPolarHBondContact CB-NE2 3.42Å; K873-H875 PolarHBondContact O-N 3.43Å |
| 874 | A | 88 | Confident | 88.5 | Confident | 46 Ų | 46 | 31.3 Ų | 31.3 | 38% | 0.38 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.9 | 32.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115 | A870 C871 E876 N909 L911 | A870-A874 PolarHBondContact O-N 3.49Å; C871-A874 PolarHBondContact O-N 2.88Å; A874-E876 PolarHBondContact O-N 2.83Å; A874-N909 HydrophobicContact CB-CB 4.16Å; A874-L911 HydrophobicContact CB-CD2 4.21Å |
| 875 | H | 92.1 | Very high | 88.2 | Confident | 56 Ų | 56 | 34 Ų | 34 | 26% | 0.259 | 19% | 0.186 | S | C | . | . | trans | -88.9 | 80.7 | 177.9 | -62.9 | -48 | 0 | 0 | 0 | 111.8 | A837 D838 G840 A870 K873 M877 C878 A879 | A837-H875 PolarHBondContact O-CD2 3.34Å; D838-H875 PolarHBondContact O-NE2 2.98Å; G840-H875 WeakPolarHBondContact CA-CD2 3.36Å; G840-H875 PolarHBondContact N-CD2 2.94Å; G840-H875 VanDerWaalsContact N-CD2 3.26Å; G840-H875 PolarHBondContact N-NE2 3.42Å; A870-H875 PolarHBondContact O-N 3.02Å; K873-H875 VanDerWaalsContact CB-CD2 3.43Å; K873-H875 WeakPolarHBondContact CB-CD2 3.47Å; K873-H875 WeakPolarHBondContact CB-NE2 3.42Å; K873-H875 PolarHBondContact O-N 3.43Å; H875-M877 PolarHBondContact O-N 2.96Å; H875-C878 HydrophobicContact CB-CB 4.09Å; H875-C878 PolarHBondContact O-N 2.82Å; H875-A879 PolarHBondContact O-N 3.48Å | ||
| 876 | E | 88.4 | Confident | 87.9 | Confident | 78 Ų | 78 | 34.1 Ų | 34.1 | 36% | 0.364 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -50.4 | -53 | -174.3 | -164.3 | -178.2 | 154.7 | 0 | 0 | 113.6 | A874 C878 A879 L880 L911 T913 V914 | A874-E876 PolarHBondContact O-N 2.83Å; E876-C878 PolarHBondContact O-N 3.25Å; E876-A879 PolarHBondContact O-N 3.26Å; E876-L880 HydrophobicContact CG-CD1 4.38Å; E876-L880 WeakPolarHBondContact O-CG 3.38Å; E876-L880 PolarHBondContact O-N 3.38Å; E876-L911 HydrophobicContact CB-CD2 4.09Å; E876-L911 HydrophobicContact CG-CD2 4.42Å; E876-T913 WeakPolarHBondContact CG-OG1 3.39Å; E876-T913 WeakPolarHBondContact OE1-CB 3.02Å; E876-T913 VanDerWaalsContact OE1-CG2 3.29Å; E876-T913 WeakPolarHBondContact OE1-CG2 3.45Å; E876-T913 PolarHBondContact OE1-OG1 3.13Å; E876-V914 HydrophobicContact CG-CG2 3.8Å |
| 877 | M | 87.3 | Confident | 87.2 | Confident | 125 Ų | 125 | 41.1 Ų | 41.1 | 62% | 0.616 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -66 | -37.5 | -176.9 | -67.3 | -64.2 | -85.4 | 0 | 0 | 112.9 | H875 L880 L881 | H875-M877 PolarHBondContact O-N 2.96Å; M877-L880 PolarHBondContact O-N 3.45Å; M877-L880 HydrophobicContact SD-CD1 4.48Å; M877-L881 VanDerWaalsContact O-CG 3.29Å; M877-L881 WeakPolarHBondContact O-CG 3.41Å; M877-L881 PolarHBondContact O-N 3.25Å |
| 878 | C | 89.4 | Confident | 86.7 | Confident | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.8 | -42.9 | 175.6 | -69.5 | 0 | 0 | 0 | 0 | 111.1 | G840 S842 A870 H875 E876 L881 I882 | G840-C878 PolarHBondContact O-SG 3.17Å; G840-C878 VanDerWaalsContact O-SG 3.4Å; S842-C878 VanDerWaalsContact CA-SG 3.5Å; S842-C878 PolarHBondContact N-SG 3.33Å; S842-C878 VanDerWaalsContact N-SG 3.42Å; A870-C878 HydrophobicContact CB-CB 4.15Å; H875-C878 HydrophobicContact CB-CB 4.09Å; H875-C878 PolarHBondContact O-N 2.82Å; E876-C878 PolarHBondContact O-N 3.25Å; C878-L881 PolarHBondContact O-N 3.19Å; C878-I882 WeakPolarHBondContact O-CD1 3.32Å; C878-I882 VanDerWaalsContact O-CG1 3.26Å; C878-I882 WeakPolarHBondContact O-CG1 3.42Å; C878-I882 PolarHBondContact O-N 3.11Å |
| 879 | A | 88.7 | Confident | 85.8 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -42.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L867 A870 H875 E876 I882 L883 V914 | L867-A879 HydrophobicContact CD1-CB 4.15Å; A870-A879 HydrophobicContact CB-CB 4.09Å; H875-A879 PolarHBondContact O-N 3.48Å; E876-A879 PolarHBondContact O-N 3.26Å; A879-I882 PolarHBondContact O-N 3.14Å; A879-L883 VanDerWaalsContact O-CB 3.31Å; A879-L883 WeakPolarHBondContact O-CB 3.17Å; A879-L883 WeakPolarHBondContact O-CG 3.36Å; A879-L883 PolarHBondContact O-N 3.29Å; A879-V914 HydrophobicContact CB-CG1 3.98Å; A879-V914 HydrophobicContact CB-CG2 3.93Å |
| 880 | L | 88.6 | Confident | 85.3 | Confident | 54 Ų | 54 | 53.8 Ų | 53.8 | 28% | 0.283 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.2 | -41.2 | 176.6 | -69.7 | 176.1 | 0 | 0 | 0 | 112.9 | E876 M877 L883 G884 V914 A917 | E876-L880 HydrophobicContact CG-CD1 4.38Å; E876-L880 WeakPolarHBondContact O-CG 3.38Å; E876-L880 PolarHBondContact O-N 3.38Å; M877-L880 PolarHBondContact O-N 3.45Å; M877-L880 HydrophobicContact SD-CD1 4.48Å; L880-L883 PolarHBondContact O-N 3.14Å; L880-G884 PolarHBondContact O-N 2.92Å; L880-V914 HydrophobicContact CD2-CG2 3.93Å; L880-V914 HydrophobicContact CG-CG2 3.91Å; L880-A917 HydrophobicContact CD2-CB 3.87Å |
| 881 | L | 88 | Confident | 84.8 | Confident | 53 Ų | 53 | 55 Ų | 55 | 28% | 0.277 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.9 | -45.5 | 176.5 | -73 | 169.4 | 0 | 0 | 0 | 111.8 | S842 V845 A846 M877 C878 L883 G884 | S842-L881 WeakPolarHBondContact O-CD1 3.42Å; V845-L881 HydrophobicContact CG1-CB 4.38Å; A846-L881 HydrophobicContact CB-CD1 4.16Å; M877-L881 VanDerWaalsContact O-CG 3.29Å; M877-L881 WeakPolarHBondContact O-CG 3.41Å; M877-L881 PolarHBondContact O-N 3.25Å; C878-L881 PolarHBondContact O-N 3.19Å; L881-L883 VanDerWaalsContact C-N 3.34Å; L881-L883 PolarHBondContact O-N 3.35Å; L881-G884 PolarHBondContact O-N 2.92Å |
| 882 | I | 87.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 175.6 | -66.7 | 164 | 0 | 0 | 0 | 110.3 | A837 V845 L849 L856 A866 L867 A870 C878 A879 G884 E885 I886 | A837-I882 HydrophobicContact CB-CD1 4.1Å; V845-I882 HydrophobicContact CG1-CD1 4.2Å; V845-I882 HydrophobicContact CG1-CG1 3.79Å; L849-I882 HydrophobicContact CD1-CB 4.41Å; L849-I882 HydrophobicContact CD1-CG1 3.86Å; L856-I882 HydrophobicContact CD2-CG2 3.93Å; A866-I882 HydrophobicContact CB-CD1 4.1Å; L867-I882 HydrophobicContact CB-CG2 3.96Å; L867-I882 HydrophobicContact CD1-CB 4.43Å; L867-I882 HydrophobicContact CD1-CG2 4.2Å; A870-I882 HydrophobicContact CB-CD1 4.31Å; C878-I882 WeakPolarHBondContact O-CD1 3.32Å; C878-I882 VanDerWaalsContact O-CG1 3.26Å; C878-I882 WeakPolarHBondContact O-CG1 3.42Å; C878-I882 PolarHBondContact O-N 3.11Å; A879-I882 PolarHBondContact O-N 3.14Å; I882-G884 VanDerWaalsContact C-N 3.26Å; I882-G884 PolarHBondContact O-N 2.79Å; I882-E885 PolarHBondContact O-N 2.91Å; I882-I886 HydrophobicContact CG2-CD1 3.59Å; I882-I886 HydrophobicContact CG2-CG1 4.3Å; I882-I886 WeakPolarHBondContact O-CG1 3.38Å; I882-I886 PolarHBondContact O-N 3.09Å |
| 883 | L | 85.8 | Confident | 84.2 | Confident | 2 Ų | 2 | 55 Ų | 55 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -23.8 | 176.2 | -75.2 | 170.2 | 0 | 0 | 0 | 114.3 | L867 A879 L880 L881 E885 V914 A917 L918 R921 | L867-L883 HydrophobicContact CD1-CD1 4.23Å; L867-L883 HydrophobicContact CD1-CD2 4.1Å; L867-L883 HydrophobicContact CD1-CG 3.76Å; L867-L883 HydrophobicContact CD2-CD2 3.63Å; L867-L883 HydrophobicContact CD2-CG 4.25Å; A879-L883 VanDerWaalsContact O-CB 3.31Å; A879-L883 WeakPolarHBondContact O-CB 3.17Å; A879-L883 WeakPolarHBondContact O-CG 3.36Å; A879-L883 PolarHBondContact O-N 3.29Å; L880-L883 PolarHBondContact O-N 3.14Å; L881-L883 VanDerWaalsContact C-N 3.34Å; L881-L883 PolarHBondContact O-N 3.35Å; L883-E885 VanDerWaalsContact C-N 3.27Å; L883-V914 HydrophobicContact CD1-CG1 3.83Å; L883-A917 HydrophobicContact CD1-CB 4.31Å; L883-L918 HydrophobicContact CD1-CD2 4.04Å; L883-L918 HydrophobicContact CD1-CG 3.86Å; L883-L918 HydrophobicContact CD2-CD2 3.51Å; L883-L918 HydrophobicContact CD2-CG 4.25Å; L883-L918 HydrophobicContact CG-CD2 4.41Å; L883-R921 PolarHBondContact O-NE 3.12Å |
| 884 | G | 82.4 | Confident | 84 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 36% | 0.361 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.5 | -36.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L880 L881 I882 | L880-G884 PolarHBondContact O-N 2.92Å; L881-G884 PolarHBondContact O-N 2.92Å; I882-G884 VanDerWaalsContact C-N 3.26Å; I882-G884 PolarHBondContact O-N 2.79Å |
| 885 | E | 82.1 | Confident | 83.9 | Confident | 76 Ų | 76 | 51.7 Ų | 51.7 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -97 | -17.6 | -175.9 | -68.5 | -65.4 | 158.2 | 0 | 0 | 113.6 | L849 H850 L856 I882 L883 H887 | L849-E885 HydrophobicContact CB-CG 4.37Å; H850-E885 IonicContact CE1-OE1 3.64Å; H850-E885 PolarHBondContact CE1-OE1 3.26Å; H850-E885 IonicContact ND1-OE1 2.73Å; H850-E885 PolarHBondContact ND1-OE1 2.96Å; L856-E885 HydrophobicContact CD1-CB 4.39Å; I882-E885 PolarHBondContact O-N 2.91Å; L883-E885 VanDerWaalsContact C-N 3.27Å; E885-H887 PolarHBondContact O-CE1 3.21Å; E885-H887 PolarHBondContact O-N 3.16Å; E885-H887 PolarHBondContact O-ND1 2.93Å |
| 886 | I | 83.1 | Confident | 83.7 | Confident | 10 Ų | 10 | 49.6 Ų | 49.6 | 5% | 0.051 | 27% | 0.274 | C | S | . | . | trans | -77 | 108.5 | 175.1 | -64.4 | 167.1 | 0 | 0 | 0 | 110.2 | L856 L867 I882 L891 I892 | L856-I886 HydrophobicContact CD1-CG1 3.87Å; L867-I886 HydrophobicContact CB-CD1 4.45Å; L867-I886 HydrophobicContact CD2-CD1 3.91Å; I882-I886 HydrophobicContact CG2-CD1 3.59Å; I882-I886 HydrophobicContact CG2-CG1 4.3Å; I882-I886 WeakPolarHBondContact O-CG1 3.38Å; I882-I886 PolarHBondContact O-N 3.09Å; I886-L891 HydrophobicContact CG2-CB 3.82Å; I886-L891 HydrophobicContact CG2-CD1 4.46Å; I886-I892 HydrophobicContact CG2-CD1 4.26Å; I886-I892 HydrophobicContact CG2-CG1 3.63Å | ||
| 887 | H | 73.4 | Confident | 83.6 | Confident | 151 Ų | 151 | 48.8 Ų | 48.8 | 70% | 0.699 | 28% | 0.277 | S | S | * | . | trans | -102.8 | -13.4 | 173.6 | -61.2 | 81.7 | 0 | 0 | 0 | 112.9 | E885 | E885-H887 PolarHBondContact O-CE1 3.21Å; E885-H887 PolarHBondContact O-N 3.16Å; E885-H887 PolarHBondContact O-ND1 2.93Å | ||
| 888 | N | 77.4 | Confident | 83.5 | Confident | 98 Ų | 98 | 43.9 Ų | 43.9 | 52% | 0.524 | 26% | 0.257 | S | S | . | . | trans | -87.8 | 123.2 | -177.4 | -77.2 | -32.3 | 0 | 0 | 0 | 111.4 | T890 L891 | N888-T890 PolarHBondContact O-N 3.45Å; N888-T890 VanDerWaalsContact O-N 3.16Å; N888-L891 HydrophobicContact CB-CD1 4.39Å; N888-L891 PolarHBondContact O-N 3.38Å | ||
| 889 | P | 73.1 | Confident | 83.2 | Confident | 82 Ų | 82 | 47.9 Ų | 47.9 | 53% | 0.532 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -67.1 | -17.7 | -179.2 | 27.8 | -35.1 | 0 | 0 | 0 | 113.2 | N893 | P889-N893 PolarHBondContact O-N 3.1Å; P889-N893 PolarHBondContact O-ND2 2.7Å; P889-N893 VanDerWaalsContact O-ND2 3.08Å |
| 890 | T | 78.9 | Confident | 83 | Confident | 102 Ų | 102 | 49.3 Ų | 49.3 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -70.6 | -33.6 | 176.4 | 52.8 | 0 | 0 | 0 | 0 | 112.8 | N888 A894 | N888-T890 PolarHBondContact O-N 3.45Å; N888-T890 VanDerWaalsContact O-N 3.16Å; T890-A894 PolarHBondContact O-N 3.09Å; T890-A894 VanDerWaalsContact O-N 3.1Å |
| 891 | L | 80.1 | Confident | 83 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 14% | 0.141 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80.6 | -30.5 | 178.1 | -69.5 | 173.3 | 0 | 0 | 0 | 112.1 | L856 T857 I886 N888 N893 A894 | L856-L891 HydrophobicContact CB-CD1 4.34Å; T857-L891 HydrophobicContact CG2-CD1 4.38Å; T857-L891 HydrophobicContact CG2-CD2 4.31Å; I886-L891 HydrophobicContact CG2-CB 3.82Å; I886-L891 HydrophobicContact CG2-CD1 4.46Å; N888-L891 HydrophobicContact CB-CD1 4.39Å; N888-L891 PolarHBondContact O-N 3.38Å; L891-N893 VanDerWaalsContact C-N 3.33Å; L891-A894 WeakPolarHBondContact O-CB 3.16Å; L891-A894 PolarHBondContact O-N 3.04Å |
| 892 | I | 82.3 | Confident | 82.9 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.7 | -37.8 | 175.8 | -60.9 | 176.4 | 0 | 0 | 0 | 110.8 | I886 L918 R921 A923 | I886-I892 HydrophobicContact CG2-CD1 4.26Å; I886-I892 HydrophobicContact CG2-CG1 3.63Å; I892-L918 HydrophobicContact CG2-CD2 3.98Å; I892-R921 HydrophobicContact CD1-CB 3.77Å; I892-A923 HydrophobicContact CG2-CB 3.8Å |
| 893 | N | 83.5 | Confident | 82.9 | Confident | 41 Ų | 41 | 44.3 Ų | 44.3 | 22% | 0.219 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 18 | 178.2 | -62.9 | -64.2 | 0 | 0 | 0 | 112.9 | P889 L891 M901 G922 A923 T924 | P889-N893 PolarHBondContact O-N 3.1Å; P889-N893 PolarHBondContact O-ND2 2.7Å; P889-N893 VanDerWaalsContact O-ND2 3.08Å; L891-N893 VanDerWaalsContact C-N 3.33Å; N893-M901 HydrophobicContact CB-CE 4.4Å; N893-M901 HydrophobicContact CB-SD 4.38Å; N893-M901 WeakPolarHBondContact OD1-CE 3.44Å; N893-G922 PolarHBondContact ND2-O 3.33Å; N893-A923 WeakPolarHBondContact OD1-CA 3.42Å; N893-T924 PolarHBondContact OD1-N 2.89Å; N893-T924 PolarHBondContact OD1-OG1 3.04Å; N893-T924 VanDerWaalsContact OD1-OG1 3.11Å |
| 894 | A | 84.9 | Confident | 82.8 | Confident | 22 Ų | 22 | 44.3 Ų | 44.3 | 18% | 0.182 | 26% | 0.258 | C | S | . | . | trans | -63.9 | 141.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | T865 H868 T890 L891 M901 P902 | T865-A894 HydrophobicContact CG2-CB 4.44Å; H868-A894 PolarHBondContact CE1-O 3.16Å; H868-A894 PolarHBondContact NE2-O 3.46Å; H868-A894 VanDerWaalsContact NE2-O 3.09Å; T890-A894 PolarHBondContact O-N 3.09Å; T890-A894 VanDerWaalsContact O-N 3.1Å; L891-A894 WeakPolarHBondContact O-CB 3.16Å; L891-A894 PolarHBondContact O-N 3.04Å; A894-M901 WeakPolarHBondContact O-CA 3.43Å; A894-P902 WeakPolarHBondContact O-CD 3.5Å | ||
| 895 | T | 85.6 | Confident | 83 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 41% | 0.411 | 24% | 0.242 | S | C | . | . | trans | -111.9 | 135.4 | 178.4 | 56.2 | 0 | 0 | 0 | 0 | 109.9 | M901 | T895-M901 HydrophobicContact CG2-CG 3.93Š| ||
| 896 | N | 87.3 | Confident | 83.2 | Confident | 12 Ų | 12 | 39.2 Ų | 39.2 | 6% | 0.064 | 23% | 0.225 | C | C | . | . | trans | -76 | -173.3 | 172.4 | 69.2 | 4.4 | 0 | 0 | 0 | 112.3 | N864 A898 L899 Q900 | N864-N896 WeakPolarHBondContact OD1-CB 3.35Å; N864-N896 PolarHBondContact OD1-ND2 3.31Å; N864-N896 VanDerWaalsContact OD1-ND2 3.12Å; N896-A898 PolarHBondContact O-N 2.84Å; N896-A898 WeakPolarHBondContact OD1-CA 3.12Å; N896-A898 PolarHBondContact OD1-N 3.4Å; N896-L899 PolarHBondContact O-N 3.49Å; N896-L899 PolarHBondContact OD1-N 2.97Å; N896-Q900 PolarHBondContact N-O 3.39Å; N896-Q900 VanDerWaalsContact N-O 3.13Å; N896-Q900 WeakPolarHBondContact OD1-CB 3.21Å; N896-Q900 PolarHBondContact OD1-N 3.19Å; N896-Q900 PolarHBondContact OD1-O 3.15Å | ||
| 897 | S | 87.2 | Confident | 83.3 | Confident | 61 Ų | 61 | 38.8 Ų | 38.8 | 43% | 0.427 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -32 | 177.2 | 55.4 | 0 | 0 | 0 | 0 | 113.1 | N862 L899 | N862-S897 WeakPolarHBondContact O-CB 3.48Å; N862-S897 PolarHBondContact O-N 3.09Å; N862-S897 PolarHBondContact O-OG 3Å; N862-S897 VanDerWaalsContact O-OG 3.09Å; S897-L899 VanDerWaalsContact C-N 3.26Å; S897-L899 PolarHBondContact O-N 2.9Å |
| 898 | A | 83.6 | Confident | 83.8 | Confident | 23 Ų | 23 | 36 Ų | 36 | 19% | 0.19 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | 16 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | N896 Q900 E930 | N896-A898 PolarHBondContact O-N 2.84Å; N896-A898 WeakPolarHBondContact OD1-CA 3.12Å; N896-A898 PolarHBondContact OD1-N 3.4Å; A898-Q900 HydrophobicContact CB-CG 4.25Å; A898-Q900 PolarHBondContact O-N 3.13Å; A898-E930 VanDerWaalsContact CA-CD 3.48Å; A898-E930 WeakPolarHBondContact CA-OE2 3.42Å; A898-E930 WeakPolarHBondContact O-CG 3.27Å; A898-E930 PolarHBondContact O-N 3.41Å; A898-E930 VanDerWaalsContact O-N 3.14Å |
| 899 | L | 83.4 | Confident | 84.1 | Confident | 85 Ų | 85 | 34 Ų | 34 | 45% | 0.445 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 57.2 | 14.6 | -174 | -59.5 | 174.3 | 0 | 0 | 0 | 114.6 | N896 S897 E930 | N896-L899 PolarHBondContact O-N 3.49Å; N896-L899 PolarHBondContact OD1-N 2.97Å; S897-L899 VanDerWaalsContact C-N 3.26Å; S897-L899 PolarHBondContact O-N 2.9Å; L899-E930 HydrophobicContact CB-CG 4.26Å; L899-E930 HydrophobicContact CD1-CG 4Å; L899-E930 HydrophobicContact CG-CG 4.02Å |
| 900 | Q | 84.9 | Confident | 84.5 | Confident | 31 Ų | 31 | 30.7 Ų | 30.7 | 15% | 0.145 | 18% | 0.176 | C | C | . | . | trans | -83.5 | 125.4 | -179.1 | -68.5 | 172.1 | -21.2 | 0 | 0 | 110.5 | H868 N896 A898 H904 D929 | H868-Q900 PolarHBondContact CD2-O 3.47Å; H868-Q900 PolarHBondContact NE2-O 2.79Å; H868-Q900 VanDerWaalsContact NE2-O 3.13Å; N896-Q900 PolarHBondContact N-O 3.39Å; N896-Q900 VanDerWaalsContact N-O 3.13Å; N896-Q900 WeakPolarHBondContact OD1-CB 3.21Å; N896-Q900 PolarHBondContact OD1-N 3.19Å; N896-Q900 PolarHBondContact OD1-O 3.15Å; A898-Q900 HydrophobicContact CB-CG 4.25Å; A898-Q900 PolarHBondContact O-N 3.13Å; Q900-H904 HydrophobicContact CB-CB 4.35Å; Q900-D929 HydrophobicContact CG-CB 3.65Å | ||
| 901 | M | 88.1 | Confident | 84.8 | Confident | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | trans | -77 | 159.9 | 165.6 | -63.2 | 173.6 | 28 | 0 | 0 | 112 | N893 A894 T895 L903 H904 L905 A923 T924 A927 | N893-M901 HydrophobicContact CB-CE 4.4Å; N893-M901 HydrophobicContact CB-SD 4.38Å; N893-M901 WeakPolarHBondContact OD1-CE 3.44Å; A894-M901 WeakPolarHBondContact O-CA 3.43Å; T895-M901 HydrophobicContact CG2-CG 3.93Å; M901-L903 HydrophobicContact CE-CB 4.06Å; M901-L903 PolarHBondContact O-N 3.45Å; M901-L903 VanDerWaalsContact O-N 3.08Å; M901-H904 WeakPolarHBondContact CB-ND1 3.42Å; M901-H904 PolarHBondContact N-ND1 2.89Å; M901-H904 WeakPolarHBondContact O-CB 3.43Å; M901-H904 PolarHBondContact O-N 3.24Å; M901-L905 PolarHBondContact O-N 2.93Å; M901-A923 HydrophobicContact CE-CB 4.47Å; M901-T924 WeakPolarHBondContact CE-O 3.33Å; M901-T924 PolarHBondContact SD-OG1 3.42Å; M901-T924 VanDerWaalsContact SD-OG1 3.33Å; M901-A927 HydrophobicContact CG-CB 4.42Å; M901-A927 HydrophobicContact SD-CB 3.35Å; M901-A927 WeakPolarHBondContact SD-CB 3.41Å | ||
| 902 | P | 86.1 | Confident | 85 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -53.7 | -31.7 | 171.7 | -26.7 | 36 | 0 | 0 | 0 | 113.5 | L867 H868 A894 L905 A906 L918 | L867-P902 HydrophobicContact CD2-CB 3.81Å; L867-P902 HydrophobicContact CD2-CG 3.72Å; L867-P902 HydrophobicContact CG-CB 3.86Å; L867-P902 HydrophobicContact CG-CG 3.99Å; H868-P902 WeakPolarHBondContact NE2-CD 3.19Å; A894-P902 WeakPolarHBondContact O-CD 3.5Å; P902-L905 PolarHBondContact O-N 3.28Å; P902-A906 VanDerWaalsContact O-CB 3.3Å; P902-A906 WeakPolarHBondContact O-CB 3.18Å; P902-A906 PolarHBondContact O-N 3.47Å; P902-L918 HydrophobicContact CB-CD1 4.47Å |
| 903 | L | 86.8 | Confident | 85.1 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 175.5 | -173.1 | 63.5 | 0 | 0 | 0 | 112.8 | M901 A907 V915 L918 L919 A923 T924 V925 P935 | M901-L903 HydrophobicContact CE-CB 4.06Å; M901-L903 PolarHBondContact O-N 3.45Å; M901-L903 VanDerWaalsContact O-N 3.08Å; L903-A907 WeakPolarHBondContact O-CB 3.46Å; L903-A907 PolarHBondContact O-N 2.89Å; L903-V915 HydrophobicContact CD1-CB 4.48Å; L903-V915 HydrophobicContact CD1-CG1 4.08Å; L903-V915 HydrophobicContact CD1-CG2 4.34Å; L903-L918 HydrophobicContact CB-CD1 4.28Å; L903-L918 HydrophobicContact CD1-CB 4.08Å; L903-L918 HydrophobicContact CD1-CD1 4.07Å; L903-L919 HydrophobicContact CD2-CD2 4.2Å; L903-A923 HydrophobicContact CB-CB 4.49Å; L903-A923 HydrophobicContact CD2-CB 4.02Å; L903-T924 WeakPolarHBondContact CD2-O 3.31Å; L903-V925 HydrophobicContact CD2-CG1 4.16Å; L903-P935 HydrophobicContact CD2-CB 4.04Å; L903-P935 HydrophobicContact CD2-CG 3.9Å; L903-P935 HydrophobicContact CG-CB 3.88Å; L903-P935 HydrophobicContact CG-CG 4.11Å |
| 904 | H | 85.6 | Confident | 85.3 | Confident | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.6 | -63.8 | 88.2 | 0 | 0 | 0 | 110.5 | Q900 M901 R908 A927 H933 P935 | Q900-H904 HydrophobicContact CB-CB 4.35Å; M901-H904 WeakPolarHBondContact CB-ND1 3.42Å; M901-H904 PolarHBondContact N-ND1 2.89Å; M901-H904 WeakPolarHBondContact O-CB 3.43Å; M901-H904 PolarHBondContact O-N 3.24Å; H904-R908 VanDerWaalsContact O-CB 3.24Å; H904-R908 WeakPolarHBondContact O-CB 3.49Å; H904-R908 PolarHBondContact O-N 3.29Å; H904-A927 PolarHBondContact NE2-O 2.87Å; H904-H933 PolarHBondContact NE2-O 3.04Å; H904-P935 VanDerWaalsContact NE2-CD 3.3Å; H904-P935 WeakPolarHBondContact NE2-CD 3.34Å |
| 905 | L | 86.5 | Confident | 85.3 | Confident | 4 Ų | 4 | 26 Ų | 26 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -67.9 | -43.8 | -179.4 | -62 | 172.9 | 0 | 0 | 0 | 111.9 | H868 C871 M901 P902 R908 N909 | H868-L905 HydrophobicContact CB-CD1 4.04Å; C871-L905 HydrophobicContact CB-CB 3.84Å; M901-L905 PolarHBondContact O-N 2.93Å; P902-L905 PolarHBondContact O-N 3.28Å; L905-R908 VanDerWaalsContact CD2-NH2 3.32Å; L905-R908 PolarHBondContact O-N 3.14Å; L905-N909 WeakPolarHBondContact O-CB 3.23Å; L905-N909 PolarHBondContact O-N 3.07Å; L905-N909 VanDerWaalsContact O-N 3.09Å |
| 906 | A | 85.8 | Confident | 85.2 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -41.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | C871 P902 N909 G910 L911 V914 V915 L918 | C871-A906 HydrophobicContact CB-CB 4.37Å; P902-A906 VanDerWaalsContact O-CB 3.3Å; P902-A906 WeakPolarHBondContact O-CB 3.18Å; P902-A906 PolarHBondContact O-N 3.47Å; A906-N909 PolarHBondContact O-N 3.31Å; A906-G910 PolarHBondContact O-N 2.83Å; A906-G910 VanDerWaalsContact O-N 3.1Å; A906-L911 HydrophobicContact CB-CB 4.31Å; A906-L911 HydrophobicContact CB-CD1 4.32Å; A906-L911 PolarHBondContact O-N 2.9Å; A906-V914 HydrophobicContact CB-CG1 4.06Å; A906-V915 HydrophobicContact CB-CG2 3.9Å; A906-L918 HydrophobicContact CB-CD1 4.11Å |
| 907 | A | 84.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L903 N909 G910 V915 P935 V945 I952 | L903-A907 WeakPolarHBondContact O-CB 3.46Å; L903-A907 PolarHBondContact O-N 2.89Å; A907-N909 VanDerWaalsContact C-N 3.31Å; A907-N909 PolarHBondContact O-N 3.43Å; A907-G910 PolarHBondContact O-N 3.42Å; A907-V915 HydrophobicContact CB-CG2 4.36Å; A907-P935 WeakPolarHBondContact CB-O 3.45Å; A907-V945 WeakPolarHBondContact O-CG1 3.25Å; A907-I952 HydrophobicContact CB-CD1 3.83Å |
| 908 | R | 84 | Confident | 85.1 | Confident | 92 Ų | 92 | 25.6 Ų | 25.6 | 35% | 0.347 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -61.7 | -38.6 | 175.9 | -173.9 | 173.4 | 71.7 | -171 | 0.5 | 112.5 | H904 L905 A938 | H904-R908 VanDerWaalsContact O-CB 3.24Å; H904-R908 WeakPolarHBondContact O-CB 3.49Å; H904-R908 PolarHBondContact O-N 3.29Å; L905-R908 VanDerWaalsContact CD2-NH2 3.32Å; L905-R908 PolarHBondContact O-N 3.14Å; R908-A938 WeakPolarHBondContact CB-O 3.24Å; R908-A938 WeakPolarHBondContact CG-O 3.07Å |
| 909 | N | 83.3 | Confident | 85.1 | Confident | 56 Ų | 56 | 25.8 Ų | 25.8 | 30% | 0.299 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 0.5 | -177.3 | -71.6 | -21.8 | 0 | 0 | 0 | 114.4 | C871 S872 A874 L905 A906 A907 | C871-N909 PolarHBondContact O-ND2 2.94Å; S872-N909 PolarHBondContact O-ND2 3.13Å; A874-N909 HydrophobicContact CB-CB 4.16Å; L905-N909 WeakPolarHBondContact O-CB 3.23Å; L905-N909 PolarHBondContact O-N 3.07Å; L905-N909 VanDerWaalsContact O-N 3.09Å; A906-N909 PolarHBondContact O-N 3.31Å; A907-N909 VanDerWaalsContact C-N 3.31Å; A907-N909 PolarHBondContact O-N 3.43Å |
| 910 | G | 82.6 | Confident | 85.1 | Confident | 13 Ų | 13 | 26 Ų | 26 | 13% | 0.134 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 25.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | A906 A907 A912 | A906-G910 PolarHBondContact O-N 2.83Å; A906-G910 VanDerWaalsContact O-N 3.1Å; A907-G910 PolarHBondContact O-N 3.42Å; G910-A912 PolarHBondContact O-N 3.17Å |
| 911 | L | 85.6 | Confident | 84.9 | Confident | 11 Ų | 11 | 30 Ų | 30 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | trans | -82.6 | 73.6 | -178.4 | -57.5 | 178.8 | 0 | 0 | 0 | 112.1 | A874 E876 A906 T913 V914 V915 | A874-L911 HydrophobicContact CB-CD2 4.21Å; E876-L911 HydrophobicContact CB-CD2 4.09Å; E876-L911 HydrophobicContact CG-CD2 4.42Å; A906-L911 HydrophobicContact CB-CB 4.31Å; A906-L911 HydrophobicContact CB-CD1 4.32Å; A906-L911 PolarHBondContact O-N 2.9Å; L911-T913 VanDerWaalsContact C-N 3.35Å; L911-T913 PolarHBondContact O-N 3.02Å; L911-V914 HydrophobicContact CB-CB 3.84Å; L911-V914 HydrophobicContact CB-CG2 4.06Å; L911-V914 HydrophobicContact CD1-CB 4.46Å; L911-V914 HydrophobicContact CD1-CG2 4.3Å; L911-V914 PolarHBondContact O-N 3.17Å; L911-V914 VanDerWaalsContact O-N 3.13Å; L911-V915 WeakPolarHBondContact O-CG2 3.39Å; L911-V915 PolarHBondContact O-N 3Å | ||
| 912 | A | 83.7 | Confident | 84.5 | Confident | 30 Ų | 30 | 32.1 Ų | 32.1 | 25% | 0.248 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56.9 | -40.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | G910 V915 Q916 D947 C948 L951 | G910-A912 PolarHBondContact O-N 3.17Å; A912-V915 PolarHBondContact O-N 3.46Å; A912-Q916 WeakPolarHBondContact O-CB 3.43Å; A912-Q916 PolarHBondContact O-N 3.01Å; A912-D947 HydrophobicContact CB-CB 4.49Å; A912-C948 WeakPolarHBondContact CA-SG 3.34Å; A912-C948 PolarHBondContact N-SG 3.39Å; A912-C948 VanDerWaalsContact N-SG 3.4Å; A912-L951 HydrophobicContact CB-CD1 4.36Å |
| 913 | T | 85.4 | Confident | 84.4 | Confident | 57 Ų | 57 | 32.6 Ų | 32.6 | 35% | 0.35 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -68.6 | -39.7 | 178.5 | 62 | 0 | 0 | 0 | 0 | 112.1 | E876 L911 Q916 A917 | E876-T913 WeakPolarHBondContact CG-OG1 3.39Å; E876-T913 WeakPolarHBondContact OE1-CB 3.02Å; E876-T913 VanDerWaalsContact OE1-CG2 3.29Å; E876-T913 WeakPolarHBondContact OE1-CG2 3.45Å; E876-T913 PolarHBondContact OE1-OG1 3.13Å; L911-T913 VanDerWaalsContact C-N 3.35Å; L911-T913 PolarHBondContact O-N 3.02Å; T913-Q916 PolarHBondContact O-N 2.69Å; T913-A917 WeakPolarHBondContact O-CB 3.34Å; T913-A917 PolarHBondContact O-N 2.75Å |
| 914 | V | 85.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -41.7 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | E876 A879 L880 L883 A906 L911 A917 L918 | E876-V914 HydrophobicContact CG-CG2 3.8Å; A879-V914 HydrophobicContact CB-CG1 3.98Å; A879-V914 HydrophobicContact CB-CG2 3.93Å; L880-V914 HydrophobicContact CD2-CG2 3.93Å; L880-V914 HydrophobicContact CG-CG2 3.91Å; L883-V914 HydrophobicContact CD1-CG1 3.83Å; A906-V914 HydrophobicContact CB-CG1 4.06Å; L911-V914 HydrophobicContact CB-CB 3.84Å; L911-V914 HydrophobicContact CB-CG2 4.06Å; L911-V914 HydrophobicContact CD1-CB 4.46Å; L911-V914 HydrophobicContact CD1-CG2 4.3Å; L911-V914 PolarHBondContact O-N 3.17Å; L911-V914 VanDerWaalsContact O-N 3.13Å; V914-A917 PolarHBondContact O-N 3.35Å; V914-L918 HydrophobicContact CG1-CD1 3.96Å; V914-L918 HydrophobicContact CG1-CG 4.39Å; V914-L918 WeakPolarHBondContact O-CB 3.38Å; V914-L918 VanDerWaalsContact O-CG 3.31Å; V914-L918 WeakPolarHBondContact O-CG 3.45Å; V914-L918 PolarHBondContact O-N 3.3Å |
| 915 | V | 85.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 110.3 | L903 A906 A907 L911 A912 A917 L918 L919 C948 I952 | L903-V915 HydrophobicContact CD1-CB 4.48Å; L903-V915 HydrophobicContact CD1-CG1 4.08Å; L903-V915 HydrophobicContact CD1-CG2 4.34Å; A906-V915 HydrophobicContact CB-CG2 3.9Å; A907-V915 HydrophobicContact CB-CG2 4.36Å; L911-V915 WeakPolarHBondContact O-CG2 3.39Å; L911-V915 PolarHBondContact O-N 3Å; A912-V915 PolarHBondContact O-N 3.46Å; V915-A917 VanDerWaalsContact C-N 3.35Å; V915-A917 PolarHBondContact O-N 3.43Å; V915-L918 PolarHBondContact O-N 3.13Å; V915-L919 HydrophobicContact CG1-CD1 3.88Å; V915-L919 HydrophobicContact CG1-CG 4.38Å; V915-L919 WeakPolarHBondContact O-CB 3.5Å; V915-L919 WeakPolarHBondContact O-CG 3.42Å; V915-L919 PolarHBondContact O-N 2.79Å; V915-C948 HydrophobicContact CG2-CB 4.3Å; V915-I952 HydrophobicContact CG1-CD1 4.16Å; V915-I952 HydrophobicContact CG1-CG1 3.89Å |
| 916 | Q | 84.3 | Confident | 83.6 | Confident | 118 Ų | 118 | 43.1 Ų | 43.1 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -60.8 | -42.1 | 174.8 | -170.8 | 179.4 | 7.1 | 0 | 0 | 112.3 | A912 T913 L919 S920 L951 | A912-Q916 WeakPolarHBondContact O-CB 3.43Å; A912-Q916 PolarHBondContact O-N 3.01Å; T913-Q916 PolarHBondContact O-N 2.69Å; Q916-L919 PolarHBondContact O-N 3.19Å; Q916-S920 WeakPolarHBondContact O-CB 3.5Å; Q916-S920 PolarHBondContact O-N 3.49Å; Q916-S920 PolarHBondContact O-OG 3.36Å; Q916-L951 HydrophobicContact CB-CD1 4.22Å |
| 917 | A | 85.3 | Confident | 83.3 | Confident | 14 Ų | 14 | 44.3 Ų | 44.3 | 12% | 0.116 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L880 L883 T913 V914 V915 S920 R921 | L880-A917 HydrophobicContact CD2-CB 3.87Å; L883-A917 HydrophobicContact CD1-CB 4.31Å; T913-A917 WeakPolarHBondContact O-CB 3.34Å; T913-A917 PolarHBondContact O-N 2.75Å; V914-A917 PolarHBondContact O-N 3.35Å; V915-A917 VanDerWaalsContact C-N 3.35Å; V915-A917 PolarHBondContact O-N 3.43Å; A917-S920 WeakPolarHBondContact CA-OG 3.21Å; A917-S920 PolarHBondContact O-OG 2.96Å; A917-R921 WeakPolarHBondContact O-CB 3.44Å; A917-R921 WeakPolarHBondContact O-CD 3.27Å; A917-R921 WeakPolarHBondContact O-CG 3.37Å; A917-R921 PolarHBondContact O-N 3.48Å |
| 918 | L | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66 | -47.4 | 174.2 | -78.2 | 167.6 | 0 | 0 | 0 | 111.4 | L867 L883 I892 P902 L903 A906 V914 V915 R921 G922 A923 | L867-L918 HydrophobicContact CD2-CD2 4.41Å; L883-L918 HydrophobicContact CD1-CD2 4.04Å; L883-L918 HydrophobicContact CD1-CG 3.86Å; L883-L918 HydrophobicContact CD2-CD2 3.51Å; L883-L918 HydrophobicContact CD2-CG 4.25Å; L883-L918 HydrophobicContact CG-CD2 4.41Å; I892-L918 HydrophobicContact CG2-CD2 3.98Å; P902-L918 HydrophobicContact CB-CD1 4.47Å; L903-L918 HydrophobicContact CB-CD1 4.28Å; L903-L918 HydrophobicContact CD1-CB 4.08Å; L903-L918 HydrophobicContact CD1-CD1 4.07Å; A906-L918 HydrophobicContact CB-CD1 4.11Å; V914-L918 HydrophobicContact CG1-CD1 3.96Å; V914-L918 HydrophobicContact CG1-CG 4.39Å; V914-L918 WeakPolarHBondContact O-CB 3.38Å; V914-L918 VanDerWaalsContact O-CG 3.31Å; V914-L918 WeakPolarHBondContact O-CG 3.45Å; V914-L918 PolarHBondContact O-N 3.3Å; V915-L918 PolarHBondContact O-N 3.13Å; L918-R921 CarbonylContact O-C 3.45Å; L918-R921 PolarHBondContact O-N 2.98Å; L918-G922 PolarHBondContact O-N 3.06Å; L918-A923 HydrophobicContact CB-CB 3.88Å; L918-A923 WeakPolarHBondContact O-CB 3.47Å; L918-A923 PolarHBondContact O-N 3.37Å |
| 919 | L | 83.6 | Confident | 83.1 | Confident | 27 Ų | 27 | 44.1 Ų | 44.1 | 14% | 0.141 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -44.5 | 178.9 | -70.5 | 173.6 | 0 | 0 | 0 | 111.9 | L903 V915 Q916 R921 G922 V925 L951 I952 T955 | L903-L919 HydrophobicContact CD2-CD2 4.2Å; V915-L919 HydrophobicContact CG1-CD1 3.88Å; V915-L919 HydrophobicContact CG1-CG 4.38Å; V915-L919 WeakPolarHBondContact O-CB 3.5Å; V915-L919 WeakPolarHBondContact O-CG 3.42Å; V915-L919 PolarHBondContact O-N 2.79Å; Q916-L919 PolarHBondContact O-N 3.19Å; L919-R921 PolarHBondContact O-N 3.45Å; L919-G922 PolarHBondContact O-N 2.64Å; L919-G922 VanDerWaalsContact O-N 3.15Å; L919-V925 HydrophobicContact CD2-CG1 3.26Å; L919-L951 HydrophobicContact CD1-CB 4.33Å; L919-I952 HydrophobicContact CD1-CG1 4.15Å; L919-T955 HydrophobicContact CD1-CG2 4.19Å |
| 920 | S | 82.9 | Confident | 83 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 63% | 0.629 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -63.7 | -22.3 | 177.3 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | Q916 A917 | Q916-S920 WeakPolarHBondContact O-CB 3.5Å; Q916-S920 PolarHBondContact O-N 3.49Å; Q916-S920 PolarHBondContact O-OG 3.36Å; A917-S920 WeakPolarHBondContact CA-OG 3.21Å; A917-S920 PolarHBondContact O-OG 2.96Å |
| 921 | R | 81.3 | Confident | 82.7 | Confident | 115 Ų | 115 | 53.9 Ų | 53.9 | 43% | 0.434 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 11.1 | 177.9 | -67.9 | 172.2 | 164.3 | 68.6 | 0.1 | 113.7 | L883 I892 A917 L918 L919 | L883-R921 PolarHBondContact O-NE 3.12Å; I892-R921 HydrophobicContact CD1-CB 3.77Å; A917-R921 WeakPolarHBondContact O-CB 3.44Å; A917-R921 WeakPolarHBondContact O-CD 3.27Å; A917-R921 WeakPolarHBondContact O-CG 3.37Å; A917-R921 PolarHBondContact O-N 3.48Å; L918-R921 CarbonylContact O-C 3.45Å; L918-R921 PolarHBondContact O-N 2.98Å; L919-R921 PolarHBondContact O-N 3.45Å |
| 922 | G | 79.9 | Confident | 82.2 | Confident | 46 Ų | 46 | 55.5 Ų | 55.5 | 47% | 0.474 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 27.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | N893 L918 L919 T924 | N893-G922 PolarHBondContact ND2-O 3.33Å; L918-G922 PolarHBondContact O-N 3.06Å; L919-G922 PolarHBondContact O-N 2.64Å; L919-G922 VanDerWaalsContact O-N 3.15Å; G922-T924 PolarHBondContact O-N 3.46Å |
| 923 | A | 83.4 | Confident | 81.9 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 7% | 0.074 | 33% | 0.326 | C | S | . | . | trans | -62.7 | 131.6 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | I892 N893 M901 L903 L918 | I892-A923 HydrophobicContact CG2-CB 3.8Å; N893-A923 WeakPolarHBondContact OD1-CA 3.42Å; M901-A923 HydrophobicContact CE-CB 4.47Å; L903-A923 HydrophobicContact CB-CB 4.49Å; L903-A923 HydrophobicContact CD2-CB 4.02Å; L918-A923 HydrophobicContact CB-CB 3.88Å; L918-A923 WeakPolarHBondContact O-CB 3.47Å; L918-A923 PolarHBondContact O-N 3.37Å | ||
| 924 | T | 82.2 | Confident | 81.7 | Confident | 65 Ų | 65 | 56.7 Ų | 56.7 | 40% | 0.399 | 32% | 0.321 | S | S | . | . | trans | -75.4 | 128.4 | -179.4 | 59.4 | 0 | 0 | 0 | 0 | 111.1 | N893 M901 L903 G922 | N893-T924 PolarHBondContact OD1-N 2.89Å; N893-T924 PolarHBondContact OD1-OG1 3.04Å; N893-T924 VanDerWaalsContact OD1-OG1 3.11Å; M901-T924 WeakPolarHBondContact CE-O 3.33Å; M901-T924 PolarHBondContact SD-OG1 3.42Å; M901-T924 VanDerWaalsContact SD-OG1 3.33Å; L903-T924 WeakPolarHBondContact CD2-O 3.31Å; G922-T924 PolarHBondContact O-N 3.46Å | ||
| 925 | V | 80.3 | Confident | 81.4 | Confident | 25 Ų | 25 | 56.7 Ų | 56.7 | 15% | 0.152 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -91.5 | -3.5 | 180 | -63.8 | 0 | 0 | 0 | 0 | 113.6 | L903 L919 I952 M956 | L903-V925 HydrophobicContact CD2-CG1 4.16Å; L919-V925 HydrophobicContact CD2-CG1 3.26Å; V925-I952 HydrophobicContact CB-CG2 4.26Å; V925-I952 HydrophobicContact CG1-CG2 4.09Å; V925-M956 HydrophobicContact CB-CE 3.71Å; V925-M956 HydrophobicContact CG2-CE 3.75Å; V925-M956 HydrophobicContact CG2-CG 4.05Å; V925-M956 WeakPolarHBondContact O-CE 3.14Å |
| 926 | L | 79.6 | Confident | 80.9 | Confident | 137 Ų | 137 | 57.5 Ų | 57.5 | 72% | 0.717 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -108.1 | -3.1 | -174.7 | -61.5 | 177.4 | 0 | 0 | 0 | 113.6 | M956 | L926-M956 HydrophobicContact CD2-CE 4.41Š|
| 927 | A | 79.6 | Confident | 80.3 | Confident | 26 Ų | 26 | 57.4 Ų | 57.4 | 22% | 0.215 | 33% | 0.331 | C | S | . | . | trans | -64.4 | 150.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110 | M901 H904 T934 P935 | M901-A927 HydrophobicContact CG-CB 4.42Å; M901-A927 HydrophobicContact SD-CB 3.35Å; M901-A927 WeakPolarHBondContact SD-CB 3.41Å; H904-A927 PolarHBondContact NE2-O 2.87Å; A927-T934 WeakPolarHBondContact O-CA 3.24Å; A927-P935 WeakPolarHBondContact O-CD 3.5Å | ||
| 928 | V | 80.9 | Confident | 79.4 | Confident | 76 Ų | 76 | 57.6 Ų | 57.6 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | trans | -120.4 | 142.4 | 177.1 | -68.2 | 0 | 0 | 0 | 0 | 109.4 | H933 T934 | V928-H933 WeakPolarHBondContact CA-O 3.44Å; V928-T934 HydrophobicContact CG1-CG2 3.93Å | ||
| 929 | D | 83 | Confident | 78.6 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | trans | -78.7 | -178.4 | 171.8 | 67.8 | 6.5 | 0 | 0 | 0 | 112.2 | Q900 E931 G932 H933 | Q900-D929 HydrophobicContact CG-CB 3.65Å; D929-E931 PolarHBondContact O-N 3.31Å; D929-E931 VanDerWaalsContact O-N 3.14Å; D929-E931 PolarHBondContact OD1-N 3.35Å; D929-E931 VanDerWaalsContact OD1-N 3.13Å; D929-G932 PolarHBondContact O-N 3.05Å; D929-G932 PolarHBondContact OD1-N 3.28Å; D929-H933 PolarHBondContact N-O 3.04Å; D929-H933 VanDerWaalsContact N-O 3.1Å; D929-H933 WeakPolarHBondContact OD1-CB 3.3Å; D929-H933 IonicContact OD1-CG 3.12Å; D929-H933 PolarHBondContact OD1-N 3.46Å; D929-H933 IonicContact OD1-ND1 3Å | ||
| 930 | E | 81.4 | Confident | 77.7 | Confident | 125 Ų | 125 | 59.7 Ų | 59.7 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -28.1 | 177.3 | -87.3 | -176.4 | 162.6 | 0 | 0 | 114 | A898 L899 G932 | A898-E930 VanDerWaalsContact CA-CD 3.48Å; A898-E930 WeakPolarHBondContact CA-OE2 3.42Å; A898-E930 WeakPolarHBondContact O-CG 3.27Å; A898-E930 PolarHBondContact O-N 3.41Å; A898-E930 VanDerWaalsContact O-N 3.14Å; L899-E930 HydrophobicContact CB-CG 4.26Å; L899-E930 HydrophobicContact CD1-CG 4Å; L899-E930 HydrophobicContact CG-CG 4.02Å; E930-G932 VanDerWaalsContact C-N 3.33Å |
| 931 | E | 77.4 | Confident | 76.6 | Confident | 149 Ų | 149 | 62.3 Ų | 62.3 | 70% | 0.696 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.8 | 0.9 | 179.7 | -60.1 | -63.4 | 156.5 | 0 | 0 | 112.5 | D929 H933 | D929-E931 PolarHBondContact O-N 3.31Å; D929-E931 VanDerWaalsContact O-N 3.14Å; D929-E931 PolarHBondContact OD1-N 3.35Å; D929-E931 VanDerWaalsContact OD1-N 3.13Å; E931-H933 VanDerWaalsContact C-N 3.35Å; E931-H933 WeakPolarHBondContact CB-ND1 3.4Å |
| 932 | G | 73.8 | Confident | 75.9 | Confident | 45 Ų | 45 | 61 Ų | 61 | 46% | 0.464 | 37% | 0.368 | S | S | . | . | S | Bend | trans | 80.9 | 10.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | D929 E930 | D929-G932 PolarHBondContact O-N 3.05Å; D929-G932 PolarHBondContact OD1-N 3.28Å; E930-G932 VanDerWaalsContact C-N 3.33Å |
| 933 | H | 79.1 | Confident | 75.1 | Confident | 72 Ų | 72 | 67 Ų | 67 | 33% | 0.333 | 38% | 0.381 | S | S | . | . | trans | -84.8 | 130.6 | -180 | -56.8 | 121.2 | 0 | 0 | 0 | 111 | H904 V928 D929 E931 L937 A938 | H904-H933 PolarHBondContact NE2-O 3.04Å; V928-H933 WeakPolarHBondContact CA-O 3.44Å; D929-H933 PolarHBondContact N-O 3.04Å; D929-H933 VanDerWaalsContact N-O 3.1Å; D929-H933 WeakPolarHBondContact OD1-CB 3.3Å; D929-H933 IonicContact OD1-CG 3.12Å; D929-H933 PolarHBondContact OD1-N 3.46Å; D929-H933 IonicContact OD1-ND1 3Å; E931-H933 VanDerWaalsContact C-N 3.35Å; E931-H933 WeakPolarHBondContact CB-ND1 3.4Å; H933-L937 HydrophobicContact CB-CB 4.24Å; H933-A938 HydrophobicContact CB-CB 4.33Å | ||
| 934 | T | 81 | Confident | 74 | Confident | 39 Ų | 39 | 70.9 Ų | 70.9 | 24% | 0.239 | 40% | 0.4 | C | S | . | . | trans | -71.9 | 162.6 | 165.4 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | A927 V928 A936 L937 A938 | A927-T934 WeakPolarHBondContact O-CA 3.24Å; V928-T934 HydrophobicContact CG1-CG2 3.93Å; T934-A936 PolarHBondContact O-N 3.09Å; T934-L937 CarbonylContact O-C 3.53Å; T934-L937 WeakPolarHBondContact O-CA 3.38Å; T934-L937 PolarHBondContact O-N 3.45Å; T934-A938 PolarHBondContact O-N 3.32Å | ||
| 935 | P | 78.3 | Confident | 73.4 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 38% | 0.383 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -29.1 | 177.7 | -23.9 | 31.5 | 0 | 0 | 0 | 113.8 | L903 H904 A907 A927 C939 I952 | L903-P935 HydrophobicContact CD2-CB 4.04Å; L903-P935 HydrophobicContact CD2-CG 3.9Å; L903-P935 HydrophobicContact CG-CB 3.88Å; L903-P935 HydrophobicContact CG-CG 4.11Å; H904-P935 VanDerWaalsContact NE2-CD 3.3Å; H904-P935 WeakPolarHBondContact NE2-CD 3.34Å; A907-P935 WeakPolarHBondContact CB-O 3.45Å; A927-P935 WeakPolarHBondContact O-CD 3.5Å; P935-C939 PolarHBondContact O-SG 3.42Å; P935-I952 HydrophobicContact CB-CD1 4.41Å |
| 936 | A | 75.1 | Confident | 72.9 | Confident | 17 Ų | 17 | 69.3 Ų | 69.3 | 14% | 0.14 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -32.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | T934 C939 L949 I952 | T934-A936 PolarHBondContact O-N 3.09Å; A936-C939 WeakPolarHBondContact O-CB 3.22Å; A936-L949 HydrophobicContact CB-CD1 3.87Å; A936-L949 WeakPolarHBondContact O-CD1 3.3Å; A936-I952 HydrophobicContact CB-CG2 3.94Å |
| 937 | L | 71.8 | Confident | 72.5 | Confident | 117 Ų | 117 | 67.6 Ų | 67.6 | 61% | 0.613 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -25.1 | -179.4 | -163 | 62 | 0 | 0 | 0 | 112.1 | H933 T934 C939 | H933-L937 HydrophobicContact CB-CB 4.24Å; T934-L937 CarbonylContact O-C 3.53Å; T934-L937 WeakPolarHBondContact O-CA 3.38Å; T934-L937 PolarHBondContact O-N 3.45Å; L937-C939 PolarHBondContact O-N 2.99Å |
| 938 | A | 66.6 | Low | 72 | Confident | 17 Ų | 17 | 66.4 Ų | 66.4 | 14% | 0.14 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -71.6 | -5.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | R908 H933 T934 A940 | R908-A938 WeakPolarHBondContact CB-O 3.24Å; R908-A938 WeakPolarHBondContact CG-O 3.07Å; H933-A938 HydrophobicContact CB-CB 4.33Å; T934-A938 PolarHBondContact O-N 3.32Å; A938-A940 PolarHBondContact O-N 3.34Å |
| 939 | C | 70.1 | Confident | 71.8 | Confident | 25 Ų | 25 | 65.6 Ų | 65.6 | 17% | 0.169 | 37% | 0.371 | C | S | . | . | trans | -64.4 | 118.8 | 174.8 | -79.3 | 0 | 0 | 0 | 0 | 112 | P935 A936 L937 V945 | P935-C939 PolarHBondContact O-SG 3.42Å; A936-C939 WeakPolarHBondContact O-CB 3.22Å; L937-C939 PolarHBondContact O-N 2.99Å; C939-V945 HydrophobicContact CB-CG1 3.27Å; C939-V945 WeakPolarHBondContact SG-CG1 3.42Å | ||
| 940 | A | 62.9 | Low | 71.4 | Confident | 46 Ų | 46 | 67.8 Ų | 67.8 | 38% | 0.38 | 39% | 0.391 | S | S | . | . | trans | -72 | 153.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | A938 N942 V945 | A938-A940 PolarHBondContact O-N 3.34Å; A940-N942 VanDerWaalsContact C-N 3.26Å; A940-N942 PolarHBondContact O-N 3.25Å; A940-V945 WeakPolarHBondContact O-CB 3.43Å; A940-V945 WeakPolarHBondContact O-CG1 3.47Å | ||
| 941 | P | 60.9 | Low | 71.1 | Confident | 145 Ų | 145 | 64.1 Ų | 64.1 | 94% | 0.942 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -75.2 | 74.8 | -179.1 | 31.4 | -34.9 | 0 | 0 | 0 | 111.5 | ||
| 942 | N | 67.3 | Low | 71.1 | Confident | 87 Ų | 87 | 57 Ų | 57 | 47% | 0.465 | 34% | 0.341 | S | S | . | . | trans | -124.5 | 151.8 | 172 | -173.8 | 12.5 | 0 | 0 | 0 | 110.2 | A940 D944 V945 A946 | A940-N942 VanDerWaalsContact C-N 3.26Å; A940-N942 PolarHBondContact O-N 3.25Å; N942-D944 VanDerWaalsContact C-N 3.34Å; N942-D944 PolarHBondContact ND2-OD2 3.39Å; N942-D944 PolarHBondContact O-N 3.42Å; N942-V945 HydrophobicContact CB-CB 4.36Å; N942-V945 HydrophobicContact CB-CG2 3.93Å; N942-V945 WeakPolarHBondContact O-CB 3.3Å; N942-V945 PolarHBondContact O-N 2.73Å; N942-V945 VanDerWaalsContact O-N 3.12Å; N942-A946 PolarHBondContact O-N 3.39Å | ||
| 943 | K | 62.4 | Low | 71.1 | Confident | 173 Ų | 173 | 58.8 Ų | 58.8 | 75% | 0.752 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.7 | -41 | -179.1 | -172.3 | 177 | 175.9 | 179.1 | 0 | 112.3 | V945 A946 | K943-V945 PolarHBondContact O-N 3.24Å; K943-A946 WeakPolarHBondContact O-CB 3.42Å; K943-A946 PolarHBondContact O-N 3.31Å |
| 944 | D | 60.3 | Low | 70.9 | Confident | 90 Ų | 90 | 58.9 Ų | 58.9 | 48% | 0.481 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -68.7 | -25.6 | 178 | -49.6 | -45.6 | 0 | 0 | 0 | 112.4 | N942 C948 | N942-D944 VanDerWaalsContact C-N 3.34Å; N942-D944 PolarHBondContact ND2-OD2 3.39Å; N942-D944 PolarHBondContact O-N 3.42Å; D944-C948 PolarHBondContact O-SG 3.26Å; D944-C948 VanDerWaalsContact O-SG 3.42Å |
| 945 | V | 68.9 | Low | 70.3 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 3% | 0.03 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -79.1 | -25.9 | 177 | 179.2 | 0 | 0 | 0 | 0 | 111.4 | A907 C939 A940 N942 K943 D947 C948 L949 | A907-V945 WeakPolarHBondContact O-CG1 3.25Å; C939-V945 HydrophobicContact CB-CG1 3.27Å; C939-V945 WeakPolarHBondContact SG-CG1 3.42Å; A940-V945 WeakPolarHBondContact O-CB 3.43Å; A940-V945 WeakPolarHBondContact O-CG1 3.47Å; N942-V945 HydrophobicContact CB-CB 4.36Å; N942-V945 HydrophobicContact CB-CG2 3.93Å; N942-V945 WeakPolarHBondContact O-CB 3.3Å; N942-V945 PolarHBondContact O-N 2.73Å; N942-V945 VanDerWaalsContact O-N 3.12Å; K943-V945 PolarHBondContact O-N 3.24Å; V945-D947 VanDerWaalsContact C-N 3.3Å; V945-D947 PolarHBondContact O-N 3.03Å; V945-C948 WeakPolarHBondContact O-CB 3.39Å; V945-C948 PolarHBondContact O-N 3.19Å; V945-L949 WeakPolarHBondContact O-CB 3.42Å; V945-L949 PolarHBondContact O-N 2.95Å |
| 946 | A | 69.9 | Low | 69.7 | Low | 53 Ų | 53 | 64 Ų | 64 | 44% | 0.438 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.6 | -36.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N942 K943 L949 A950 | N942-A946 PolarHBondContact O-N 3.39Å; K943-A946 WeakPolarHBondContact O-CB 3.42Å; K943-A946 PolarHBondContact O-N 3.31Å; A946-L949 PolarHBondContact O-N 3.25Å; A946-A950 WeakPolarHBondContact O-CB 3.18Å; A946-A950 PolarHBondContact O-N 2.88Å |
| 947 | D | 70.7 | Confident | 68.7 | Low | 101 Ų | 101 | 71.1 Ų | 71.1 | 54% | 0.54 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -68.9 | -39.3 | 174.1 | -68.4 | -24.4 | 0 | 0 | 0 | 111.3 | A912 V945 A950 L951 | A912-D947 HydrophobicContact CB-CB 4.49Å; V945-D947 VanDerWaalsContact C-N 3.3Å; V945-D947 PolarHBondContact O-N 3.03Å; D947-A950 PolarHBondContact O-N 2.75Å; D947-L951 WeakPolarHBondContact O-CG 3.39Å; D947-L951 PolarHBondContact O-N 2.77Å |
| 948 | C | 70.6 | Confident | 67.2 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 172.1 | -62.2 | 0 | 0 | 0 | 0 | 111.8 | A912 V915 D944 V945 L951 I952 | A912-C948 WeakPolarHBondContact CA-SG 3.34Å; A912-C948 PolarHBondContact N-SG 3.39Å; A912-C948 VanDerWaalsContact N-SG 3.4Å; V915-C948 HydrophobicContact CG2-CB 4.3Å; D944-C948 PolarHBondContact O-SG 3.26Å; D944-C948 VanDerWaalsContact O-SG 3.42Å; V945-C948 WeakPolarHBondContact O-CB 3.39Å; V945-C948 PolarHBondContact O-N 3.19Å; C948-L951 PolarHBondContact O-N 3.38Å; C948-I952 VanDerWaalsContact O-CG1 3.3Å; C948-I952 WeakPolarHBondContact O-CG1 3.42Å; C948-I952 PolarHBondContact O-N 3.02Å |
| 949 | L | 76.6 | Confident | 65.6 | Low | 60 Ų | 60 | 80.1 Ų | 80.1 | 31% | 0.314 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176.5 | -178.4 | 65.5 | 0 | 0 | 0 | 111.1 | A936 V945 A946 L951 I952 L953 | A936-L949 HydrophobicContact CB-CD1 3.87Å; A936-L949 WeakPolarHBondContact O-CD1 3.3Å; V945-L949 WeakPolarHBondContact O-CB 3.42Å; V945-L949 PolarHBondContact O-N 2.95Å; A946-L949 PolarHBondContact O-N 3.25Å; L949-L951 VanDerWaalsContact C-N 3.35Å; L949-L951 PolarHBondContact O-N 3.28Å; L949-I952 PolarHBondContact O-N 3.24Å; L949-L953 HydrophobicContact CD1-CD1 4.01Å; L949-L953 HydrophobicContact CD1-CG 4.1Å; L949-L953 HydrophobicContact CD2-CD1 4.4Å; L949-L953 HydrophobicContact CG-CD1 3.79Å; L949-L953 HydrophobicContact CG-CG 4.28Å; L949-L953 WeakPolarHBondContact O-CB 3.46Å; L949-L953 VanDerWaalsContact O-CG 3.22Å; L949-L953 WeakPolarHBondContact O-CG 3.31Å; L949-L953 PolarHBondContact O-N 3.32Å |
| 950 | A | 73.5 | Confident | 64.2 | Low | 58 Ų | 58 | 84.7 Ų | 84.7 | 48% | 0.479 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.3 | -42.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A946 D947 L953 S954 | A946-A950 WeakPolarHBondContact O-CB 3.18Å; A946-A950 PolarHBondContact O-N 2.88Å; D947-A950 PolarHBondContact O-N 2.75Å; A950-L953 PolarHBondContact O-N 3.16Å; A950-S954 WeakPolarHBondContact O-CB 3.49Å; A950-S954 PolarHBondContact O-N 3.48Å |
| 951 | L | 76 | Confident | 62.8 | Low | 47 Ų | 47 | 91.4 Ų | 91.4 | 25% | 0.246 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 175.5 | -72.1 | 169.5 | 0 | 0 | 0 | 111.7 | A912 Q916 L919 D947 C948 L949 S954 T955 | A912-L951 HydrophobicContact CB-CD1 4.36Å; Q916-L951 HydrophobicContact CB-CD1 4.22Å; L919-L951 HydrophobicContact CD1-CB 4.33Å; D947-L951 WeakPolarHBondContact O-CG 3.39Å; D947-L951 PolarHBondContact O-N 2.77Å; C948-L951 PolarHBondContact O-N 3.38Å; L949-L951 VanDerWaalsContact C-N 3.35Å; L949-L951 PolarHBondContact O-N 3.28Å; L951-S954 PolarHBondContact O-N 3.01Å; L951-S954 PolarHBondContact O-OG 3.39Å; L951-T955 PolarHBondContact O-N 3.32Å |
| 952 | I | 77.6 | Confident | 61.3 | Low | 0 Ų | 0 | 96.3 Ų | 96.3 | 0% | 0 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 178.6 | -64.4 | 163.8 | 0 | 0 | 0 | 111.3 | A907 V915 L919 V925 P935 A936 C948 L949 S954 T955 M956 | A907-I952 HydrophobicContact CB-CD1 3.83Å; V915-I952 HydrophobicContact CG1-CD1 4.16Å; V915-I952 HydrophobicContact CG1-CG1 3.89Å; L919-I952 HydrophobicContact CD1-CG1 4.15Å; V925-I952 HydrophobicContact CB-CG2 4.26Å; V925-I952 HydrophobicContact CG1-CG2 4.09Å; P935-I952 HydrophobicContact CB-CD1 4.41Å; A936-I952 HydrophobicContact CB-CG2 3.94Å; C948-I952 VanDerWaalsContact O-CG1 3.3Å; C948-I952 WeakPolarHBondContact O-CG1 3.42Å; C948-I952 PolarHBondContact O-N 3.02Å; L949-I952 PolarHBondContact O-N 3.24Å; I952-S954 VanDerWaalsContact C-N 3.31Å; I952-S954 PolarHBondContact O-N 3.01Å; I952-T955 PolarHBondContact O-N 3.42Å; I952-T955 PolarHBondContact O-OG1 2.9Å; I952-M956 HydrophobicContact CG2-CE 3.97Å; I952-M956 WeakPolarHBondContact O-CG 3.36Å; I952-M956 PolarHBondContact O-N 3.23Å |
| 953 | L | 74.6 | Confident | 59.4 | Low | 83 Ų | 83 | 99.6 Ų | 99.6 | 44% | 0.435 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70 | -28.6 | 177.7 | -70.1 | 174.3 | 0 | 0 | 0 | 112.5 | L949 A950 T955 M956 | L949-L953 HydrophobicContact CD1-CD1 4.01Å; L949-L953 HydrophobicContact CD1-CG 4.1Å; L949-L953 HydrophobicContact CD2-CD1 4.4Å; L949-L953 HydrophobicContact CG-CD1 3.79Å; L949-L953 HydrophobicContact CG-CG 4.28Å; L949-L953 WeakPolarHBondContact O-CB 3.46Å; L949-L953 VanDerWaalsContact O-CG 3.22Å; L949-L953 WeakPolarHBondContact O-CG 3.31Å; L949-L953 PolarHBondContact O-N 3.32Å; A950-L953 PolarHBondContact O-N 3.16Å; L953-T955 VanDerWaalsContact C-N 3.33Å; L953-M956 HydrophobicContact CD2-SD 4.35Å; L953-M956 PolarHBondContact O-N 3.45Å |
| 954 | S | 74.8 | Confident | 58.8 | Low | 73 Ų | 73 | 96.5 Ų | 96.5 | 51% | 0.51 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -34.1 | 176.3 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | A950 L951 I952 M956 | A950-S954 WeakPolarHBondContact O-CB 3.49Å; A950-S954 PolarHBondContact O-N 3.48Å; L951-S954 PolarHBondContact O-N 3.01Å; L951-S954 PolarHBondContact O-OG 3.39Å; I952-S954 VanDerWaalsContact C-N 3.31Å; I952-S954 PolarHBondContact O-N 3.01Å; S954-M956 VanDerWaalsContact C-N 3.3Å |
| 955 | T | 68.3 | Low | 57.3 | Low | 76 Ų | 76 | 97.8 Ų | 97.8 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -78.6 | -15.5 | 175.6 | 58.5 | 0 | 0 | 0 | 0 | 112.7 | L919 L951 I952 L953 | L919-T955 HydrophobicContact CD1-CG2 4.19Å; L951-T955 PolarHBondContact O-N 3.32Å; I952-T955 PolarHBondContact O-N 3.42Å; I952-T955 PolarHBondContact O-OG1 2.9Å; L953-T955 VanDerWaalsContact C-N 3.33Å |
| 956 | M | 65.3 | Low | 55.4 | Low | 71 Ų | 71 | 103.2 Ų | 103.2 | 35% | 0.35 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.5 | -7.4 | 175.6 | -70 | -171.5 | 179.8 | 0 | 0 | 114.6 | V925 L926 I952 L953 S954 | V925-M956 HydrophobicContact CB-CE 3.71Å; V925-M956 HydrophobicContact CG2-CE 3.75Å; V925-M956 HydrophobicContact CG2-CG 4.05Å; V925-M956 WeakPolarHBondContact O-CE 3.14Å; L926-M956 HydrophobicContact CD2-CE 4.41Å; I952-M956 HydrophobicContact CG2-CE 3.97Å; I952-M956 WeakPolarHBondContact O-CG 3.36Å; I952-M956 PolarHBondContact O-N 3.23Å; L953-M956 HydrophobicContact CD2-SD 4.35Å; L953-M956 PolarHBondContact O-N 3.45Å; S954-M956 VanDerWaalsContact C-N 3.3Å |
| 957 | K | 53.7 | Low | 53.3 | Low | 167 Ų | 167 | 106.7 Ų | 106.7 | 73% | 0.726 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 127.2 | -178.2 | -81 | -172.9 | 178.4 | 178.8 | 0 | 113.2 | ||
| 958 | P | 40.9 | Very low | 51.2 | Low | 117 Ų | 117 | 106.9 Ų | 106.9 | 76% | 0.76 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 136.1 | 169.6 | 30.2 | -30.4 | 0 | 0 | 0 | 111.6 | ||
| 959 | F | 33.5 | Very low | 49.1 | Very low | 206 Ų | 206 | 111.9 Ų | 111.9 | 90% | 0.904 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 131.4 | 173.9 | -83.1 | -92 | 0 | 0 | 0 | 111.7 | ||
| 960 | P | 39 | Very low | 46.7 | Very low | 121 Ų | 121 | 114.3 Ų | 114.3 | 79% | 0.786 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 137.9 | 165 | 19 | -8.3 | 0 | 0 | 0 | 111.4 | ||
| 961 | Q | 35.1 | Very low | 44.5 | Very low | 187 Ų | 187 | 116.9 Ų | 116.9 | 87% | 0.874 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 140.9 | -175.7 | -65.1 | 174.4 | -37.6 | 0 | 0 | 114.2 | ||
| 962 | R | 29.2 | Very low | 43 | Very low | 247 Ų | 247 | 119.7 Ų | 119.7 | 93% | 0.932 | 69% | 0.691 | S | S | * | * | trans | -136.6 | 108.8 | 155.6 | -113.9 | -177.7 | -179.4 | 176.6 | 0.3 | 109.8 | ||||
| 963 | D | 25.8 | Very low | 40.6 | Very low | 157 Ų | 157 | 125.8 Ų | 125.8 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | -75.3 | 164.3 | 167.2 | -99.1 | -20.2 | 0 | 0 | 0 | 111.6 | ||||
| 964 | P | 50.6 | Low | 38.4 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | -113 | 150.8 | -123.3 | 39.1 | -33.6 | 0 | 0 | 0 | 113.2 | |||||
| 965 | S | 29.5 | Very low | 36.1 | Very low | 117 Ų | 117 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | trans | 160.8 | 105 | 139.8 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 966 | S | 28.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | 163.9 | 98.2 | 134.7 | 62.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 967 | C | 26.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | trans | -60.5 | 147.2 | 158.7 | -61.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 968 | S | 26.3 | Very low | 31 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | trans | 143.9 | 106.2 | 131.5 | 68.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 969 | S | 26 | Very low | 30.4 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | 71.7 | 131.1 | 109.3 | 68 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 970 | S | 27.3 | Very low | 30.2 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | cis | -177.8 | 146.4 | 21.1 | 33.8 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 971 | S | 27 | Very low | 29.6 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -55.8 | -179.5 | 164.2 | -31 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 972 | P | 44.8 | Very low | 29.2 | Very low | 107 Ų | 107 | 127 Ų | 127 | 70% | 0.695 | 80% | 0.797 | S | S | * | * | cis | -147.2 | 168.6 | 11.8 | 36.5 | -13 | 0 | 0 | 0 | 119 | ||||
| 973 | T | 27.4 | Very low | 29.2 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | 54.3 | 140.6 | 141.5 | 56.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 974 | V | 28.7 | Very low | 29.3 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | cis | -168 | 140.7 | 5.4 | 146.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 975 | S | 24.8 | Very low | 28.2 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | 157 | 128.7 | 127.6 | 53.9 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 976 | S | 26.4 | Very low | 28 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | 46.7 | 121.3 | 145.4 | 60.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 977 | S | 27.5 | Very low | 27.8 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | 64.3 | 120 | 129.3 | 69.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 978 | A | 27.8 | Very low | 28 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | trans | -154.6 | 132.7 | 135.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 979 | G | 26.9 | Very low | 27.9 | Very low | 69 Ų | 69 | 131.2 Ų | 131.2 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 177.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 980 | L | 29.6 | Very low | 27.9 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | 57.7 | 128.7 | 143.9 | -64.6 | 163.5 | 0 | 0 | 0 | 120.2 | ||||
| 981 | N | 26.8 | Very low | 27.7 | Very low | 153 Ų | 153 | 130.6 Ų | 130.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | 173.2 | 110.9 | 111.5 | -87.2 | -39.1 | 0 | 0 | 0 | 111.9 | |||||
| 982 | L | 27.4 | Very low | 27.5 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 94% | 0.942 | 82% | 0.824 | S | S | * | * | trans | -163 | 74.2 | 149.7 | -121.8 | 125.3 | 0 | 0 | 0 | 111.5 | ||||
| 983 | L | 28.4 | Very low | 26.4 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 94% | 0.937 | 83% | 0.828 | S | S | * | * | trans | -136.5 | 92.8 | 159.6 | -89.4 | 167 | 0 | 0 | 0 | 108.2 | ||||
| 984 | K | 27.7 | Very low | 26.7 | Very low | 189 Ų | 189 | 130.8 Ų | 130.8 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | trans | -144.8 | 141.5 | 159.2 | -84.9 | -171.5 | 178 | 177.9 | 0 | 108.3 | ||||
| 985 | H | 27.3 | Very low | 26.4 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 82% | 0.819 | 83% | 0.828 | S | S | * | * | trans | 95 | 90 | 172.8 | -55.4 | -67.5 | 0 | 0 | 0 | 117.7 | ||||
| 986 | C | 26.1 | Very low | 26.6 | Very low | 142 Ų | 142 | 132.5 Ų | 132.5 | 96% | 0.959 | 83% | 0.826 | S | S | * | * | -138.1 | 120 | 123.8 | -90.3 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 987 | G | 24.6 | Very low | 26.4 | Very low | 73 Ų | 73 | 132.5 Ų | 132.5 | 75% | 0.753 | 83% | 0.826 | S | S | * | * | trans | -110 | 137.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 988 | I | 28.6 | Very low | 26.1 | Very low | 172 Ų | 172 | 134.4 Ų | 134.4 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | -135.2 | 121.5 | 156.7 | -61.8 | -178.5 | 0 | 0 | 0 | 107.5 | ||||
| 989 | T | 24.6 | Very low | 25.9 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 83% | 0.828 | 82% | 0.819 | S | S | * | * | trans | -76.4 | 141.6 | 173.7 | 45.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 990 | A | 25.7 | Very low | 25.7 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 88% | 0.876 | 82% | 0.822 | S | S | * | * | trans | -138.2 | 116.3 | 152.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 991 | A | 23.6 | Very low | 25.4 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 81% | 0.81 | 82% | 0.823 | S | S | * | * | trans | -85.8 | 145.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 992 | C | 22.6 | Very low | 25.3 | Very low | 131 Ų | 131 | 138 Ų | 138 | 89% | 0.885 | 83% | 0.825 | S | S | * | * | 173.7 | 137.3 | 126.8 | -103.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 993 | S | 22.5 | Very low | 25.1 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | trans | -122.2 | 172 | 144.9 | -29.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 994 | P | 32.8 | Very low | 25 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | cis | -142.3 | 170.4 | -2 | 38.8 | -18.9 | 0 | 0 | 0 | 116.9 | ||||
| 995 | L | 22.6 | Very low | 24.7 | Very low | 162 Ų | 162 | 130.4 Ų | 130.4 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 57.5 | 167 | 147.1 | -72.8 | 162.9 | 0 | 0 | 0 | 121 | ||||
| 996 | P | 28.8 | Very low | 24.6 | Very low | 107 Ų | 107 | 126.7 Ų | 126.7 | 70% | 0.695 | 78% | 0.781 | S | S | * | * | cis | -132.9 | -179 | -9.3 | 33 | -11.7 | 0 | 0 | 0 | 115.2 | ||||
| 997 | S | 21.6 | Very low | 24.7 | Very low | 103 Ų | 103 | 123.7 Ų | 123.7 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | trans | 123.2 | 111.3 | 135.5 | 71 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 998 | N | 21.5 | Very low | 24.8 | Very low | 157 Ų | 157 | 131 Ų | 131 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | 58.3 | 132.6 | 126.5 | -69.6 | -5.4 | 0 | 0 | 0 | 123.2 | |||||
| 999 | G | 23.3 | Very low | 24.9 | Very low | 70 Ų | 70 | 125.4 Ų | 125.4 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | 162.1 | 49.6 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1000 | L | 23 | Very low | 25.2 | Very low | 146 Ų | 146 | 121.7 Ų | 121.7 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | 34.6 | 90.9 | 107.1 | -82.4 | 164.2 | 0 | 0 | 0 | 113.4 | |||||
| 1001 | H | 23.5 | Very low | 25.3 | Very low | 191 Ų | 191 | 120.2 Ų | 120.2 | 88% | 0.884 | 71% | 0.707 | S | S | * | * | trans | -136.8 | 111.4 | 146.5 | -109.4 | -52.9 | 0 | 0 | 0 | 109.9 | G1003 | H1001-G1003 PolarHBondContact O-N 2.99Š| ||
| 1002 | N | 24.2 | Very low | 25.9 | Very low | 161 Ų | 161 | 119.5 Ų | 119.5 | 86% | 0.861 | 69% | 0.694 | S | S | * | * | trans | -53.7 | 124.5 | 162.7 | -85.2 | -24.3 | 0 | 0 | 0 | 109.7 | ||||
| 1003 | G | 23.1 | Very low | 26.9 | Very low | 56 Ų | 56 | 114.8 Ų | 114.8 | 58% | 0.577 | 66% | 0.661 | S | S | * | * | trans | -152 | 112.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 106 | H1001 V1005 | H1001-G1003 PolarHBondContact O-N 2.99Å; G1003-V1005 VanDerWaalsContact C-N 3.31Å; G1003-V1005 PolarHBondContact O-N 3.39Å | ||
| 1004 | Y | 26.5 | Very low | 27.6 | Very low | 202 Ų | 202 | 110.3 Ų | 110.3 | 79% | 0.792 | 63% | 0.632 | S | S | * | * | trans | -48.8 | 101.9 | 165.4 | -81.5 | -95.6 | 0 | 0 | 0 | 107.5 | K1006 | Y1004-K1006 PolarHBondContact O-N 3.13Š| ||
| 1005 | V | 21.6 | Very low | 28.1 | Very low | 131 Ų | 131 | 105.3 Ų | 105.3 | 79% | 0.794 | 60% | 0.599 | S | S | * | * | trans | -70.4 | 106.3 | 172.2 | 173.9 | 0 | 0 | 0 | 0 | 104.9 | G1003 D1007 | G1003-V1005 VanDerWaalsContact C-N 3.31Å; G1003-V1005 PolarHBondContact O-N 3.39Å; V1005-D1007 PolarHBondContact O-N 3.28Å | ||
| 1006 | K | 25.9 | Very low | 28.9 | Very low | 99 Ų | 99 | 103.1 Ų | 103.1 | 43% | 0.43 | 59% | 0.589 | S | S | . | * | trans | -36.6 | 104.9 | 164.6 | -92.1 | 173.8 | 157.3 | 160 | 0 | 110.5 | T449 D450 Y1004 R1008 | T449-K1006 HydrophobicContact CG2-CD 4.13Å; T449-K1006 WeakPolarHBondContact O-CE 3.31Å; T449-K1006 PolarHBondContact O-NZ 3.1Å; D450-K1006 WeakPolarHBondContact OD1-CG 3.42Å; Y1004-K1006 PolarHBondContact O-N 3.13Å; K1006-R1008 VanDerWaalsContact C-N 3.26Å; K1006-R1008 PolarHBondContact O-N 3.46Å | ||
| 1007 | D | 28.6 | Very low | 29.4 | Very low | 79 Ų | 79 | 100.1 Ų | 100.1 | 42% | 0.422 | 58% | 0.577 | S | S | . | * | trans | -62.4 | 94.2 | 159.1 | -85.6 | -11.8 | 0 | 0 | 0 | 107.5 | V1005 H1009 | V1005-D1007 PolarHBondContact O-N 3.28Å; D1007-H1009 HydrophobicContact CB-CB 4.01Å; D1007-H1009 VanDerWaalsContact CB-CD2 3.42Å; D1007-H1009 WeakPolarHBondContact CB-CD2 3.26Å; D1007-H1009 PolarHBondContact O-N 3.04Å; D1007-H1009 IonicContact OD1-CD2 3.99Å; D1007-H1009 PolarHBondContact OD1-CD2 2.65Å; D1007-H1009 IonicContact OD1-CE1 3.19Å; D1007-H1009 IonicContact OD1-NE2 2.76Å; D1007-H1009 PolarHBondContact OD1-NE2 2.75Å; D1007-H1009 IonicContact OD2-CD2 2.81Å; D1007-H1009 PolarHBondContact OD2-CD2 3.41Å; D1007-H1009 IonicContact OD2-NE2 3.66Å | ||
| 1008 | R | 26.1 | Very low | 30.1 | Very low | 225 Ų | 225 | 96.9 Ų | 96.9 | 85% | 0.849 | 55% | 0.554 | S | S | * | * | trans | -65.1 | 72.2 | 152.8 | -77.7 | -175 | 175.4 | -179.4 | -0.1 | 107.1 | K1006 | K1006-R1008 VanDerWaalsContact C-N 3.26Å; K1006-R1008 PolarHBondContact O-N 3.46Å | ||
| 1009 | H | 30 | Very low | 30.8 | Very low | 55 Ų | 55 | 94 Ų | 94 | 26% | 0.255 | 54% | 0.538 | S | S | . | . | trans | -111.9 | 29.2 | 179.8 | -73.2 | -11.8 | 0 | 0 | 0 | 112.5 | Y282 D1007 | Y282-H1009 AromaticContact CE2-NE2 3.56Å; Y282-H1009 AromaticContact CZ-NE2 3.43Å; Y282-H1009 PolarHBondContact OH-CE1 3.24Å; Y282-H1009 VanDerWaalsContact OH-CE1 3.28Å; Y282-H1009 PolarHBondContact OH-NE2 3.33Å; D1007-H1009 HydrophobicContact CB-CB 4.01Å; D1007-H1009 VanDerWaalsContact CB-CD2 3.42Å; D1007-H1009 WeakPolarHBondContact CB-CD2 3.26Å; D1007-H1009 PolarHBondContact O-N 3.04Å; D1007-H1009 IonicContact OD1-CD2 3.99Å; D1007-H1009 PolarHBondContact OD1-CD2 2.65Å; D1007-H1009 IonicContact OD1-CE1 3.19Å; D1007-H1009 IonicContact OD1-NE2 2.76Å; D1007-H1009 PolarHBondContact OD1-NE2 2.75Å; D1007-H1009 IonicContact OD2-CD2 2.81Å; D1007-H1009 PolarHBondContact OD2-CD2 3.41Å; D1007-H1009 IonicContact OD2-NE2 3.66Å | ||
| 1010 | G | 32.2 | Very low | 31 | Very low | 57 Ų | 57 | 94.8 Ų | 94.8 | 59% | 0.588 | 53% | 0.532 | S | S | * | . | trans | -118.9 | 75 | 133.4 | 0 | 0 | 0 | 0 | 0 | 106.7 | P1012 | G1010-P1012 WeakPolarHBondContact O-CD 3.48Å; G1010-P1012 VanDerWaalsContact O-N 3.1Å | ||
| 1011 | A | 28.5 | Very low | 31.2 | Very low | 76 Ų | 76 | 101 Ų | 101 | 63% | 0.628 | 56% | 0.557 | S | S | * | * | trans | -58.6 | 115.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 103.6 | V1013 | A1011-V1013 PolarHBondContact O-N 3.41Š| ||
| 1012 | P | 34.8 | Very low | 31.6 | Very low | 83 Ų | 83 | 96.5 Ų | 96.5 | 54% | 0.539 | 54% | 0.541 | S | S | . | . | trans | -53.4 | 121.3 | 169.5 | 23.4 | -30 | 0 | 0 | 0 | 104.1 | G1010 G1014 | G1010-P1012 WeakPolarHBondContact O-CD 3.48Å; G1010-P1012 VanDerWaalsContact O-N 3.1Å; P1012-G1014 WeakPolarHBondContact O-CA 3.43Å; P1012-G1014 PolarHBondContact O-N 3.34Å | ||
| 1013 | V | 43.2 | Very low | 32 | Very low | 32 Ų | 32 | 93.1 Ų | 93.1 | 19% | 0.194 | 52% | 0.524 | C | S | . | . | trans | -51 | 106.3 | 160.2 | -178.8 | 0 | 0 | 0 | 0 | 102.2 | Y192 L222 A1011 L1015 | Y192-V1013 HydrophobicContact CE2-CB 4.25Å; Y192-V1013 HydrophobicContact CE2-CG1 4.48Å; Y192-V1013 HydrophobicContact CE2-CG2 4.46Å; L222-V1013 HydrophobicContact CD2-CG1 3.59Å; L222-V1013 HydrophobicContact CD2-CG2 4.18Å; A1011-V1013 PolarHBondContact O-N 3.41Å; V1013-L1015 HydrophobicContact CB-CD1 4.41Å; V1013-L1015 HydrophobicContact CG1-CD1 3.58Å; V1013-L1015 HydrophobicContact CG1-CG 4.34Å; V1013-L1015 WeakPolarHBondContact O-CB 3.11Å; V1013-L1015 PolarHBondContact O-N 3.04Å | ||
| 1014 | G | 39 | Very low | 32.5 | Very low | 16 Ų | 16 | 95.1 Ų | 95.1 | 17% | 0.165 | 52% | 0.521 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 65.7 | -156.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y151 F182 P1012 | Y151-G1014 PolarHBondContact OH-O 3.36Å; F182-G1014 VanDerWaalsContact CD2-O 3.31Å; F182-G1014 WeakPolarHBondContact CD2-O 3.43Å; F182-G1014 WeakPolarHBondContact CE2-O 3.27Å; F182-G1014 WeakPolarHBondContact CZ-O 3.49Å; P1012-G1014 WeakPolarHBondContact O-CA 3.43Å; P1012-G1014 PolarHBondContact O-N 3.34Å |
| 1015 | L | 43.1 | Very low | 32.8 | Very low | 3 Ų | 3 | 88.8 Ų | 88.8 | 2% | 0.016 | 51% | 0.505 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -128.5 | -18 | -170.9 | -72.2 | 161.7 | 0 | 0 | 0 | 109.6 | Y151 V189 Y192 V1013 G1017 C1018 | Y151-L1015 HydrophobicContact CE1-CD2 4.05Å; Y151-L1015 WeakPolarHBondContact OH-CD2 3.42Å; V189-L1015 HydrophobicContact CG2-CD2 4.07Å; Y192-L1015 HydrophobicContact CD1-CB 4.35Å; Y192-L1015 HydrophobicContact CD1-CD1 3.41Å; Y192-L1015 VanDerWaalsContact CD1-CD1 3.41Å; Y192-L1015 HydrophobicContact CD1-CG 4.43Å; Y192-L1015 HydrophobicContact CD2-CD1 4.1Å; Y192-L1015 HydrophobicContact CE1-CB 4.04Å; Y192-L1015 HydrophobicContact CE1-CD1 3.8Å; Y192-L1015 HydrophobicContact CE2-CD1 4.45Å; Y192-L1015 HydrophobicContact CG-CD1 3.55Å; V1013-L1015 HydrophobicContact CB-CD1 4.41Å; V1013-L1015 HydrophobicContact CG1-CD1 3.58Å; V1013-L1015 HydrophobicContact CG1-CG 4.34Å; V1013-L1015 WeakPolarHBondContact O-CB 3.11Å; V1013-L1015 PolarHBondContact O-N 3.04Å; L1015-G1017 PolarHBondContact O-N 3.31Å; L1015-G1017 VanDerWaalsContact O-N 3.1Å; L1015-C1018 WeakPolarHBondContact O-CB 3.32Å; L1015-C1018 PolarHBondContact O-N 2.95Å |
| 1016 | D | 39.2 | Very low | 33.5 | Very low | 117 Ų | 117 | 86.2 Ų | 86.2 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -60.8 | -17.5 | 171 | -69.3 | -17.8 | 0 | 0 | 0 | 112.5 | C1018 | D1016-C1018 VanDerWaalsContact C-N 3.3Å; D1016-C1018 PolarHBondContact O-N 3Å |
| 1017 | G | 37.8 | Very low | 34 | Very low | 43 Ų | 43 | 85.3 Ų | 85.3 | 44% | 0.443 | 49% | 0.491 | S | S | . | . | G | 310 helix | trans | -75 | -12.3 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1015 L1019 | L1015-G1017 PolarHBondContact O-N 3.31Å; L1015-G1017 VanDerWaalsContact O-N 3.1Å; G1017-L1019 VanDerWaalsContact C-N 3.33Å |
| 1018 | C | 36.3 | Very low | 34.4 | Very low | 36 Ų | 36 | 85.8 Ų | 85.8 | 24% | 0.243 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -73.1 | -24.6 | 179 | -75.2 | 0 | 0 | 0 | 0 | 112.5 | Y151 L1015 D1016 | Y151-C1018 VanDerWaalsContact CZ-SG 3.52Å; L1015-C1018 WeakPolarHBondContact O-CB 3.32Å; L1015-C1018 PolarHBondContact O-N 2.95Å; D1016-C1018 VanDerWaalsContact C-N 3.3Å; D1016-C1018 PolarHBondContact O-N 3Å |
| 1019 | L | 38.1 | Very low | 35.1 | Very low | 97 Ų | 97 | 75.1 Ų | 75.1 | 51% | 0.508 | 47% | 0.468 | S | S | . | . | trans | -148 | 58.9 | -157.4 | -61.3 | 173.5 | 0 | 0 | 0 | 115.8 | Y126 G1017 | Y126-L1019 HydrophobicContact CE1-CD2 4.12Å; Y126-L1019 HydrophobicContact CE2-CD2 3.97Å; Y126-L1019 VanDerWaalsContact CZ-CD2 3.42Å; Y126-L1019 WeakPolarHBondContact OH-CD2 3.46Å; G1017-L1019 VanDerWaalsContact C-N 3.33Å | ||
| 1020 | S | 26.3 | Very low | 35.5 | Very low | 86 Ų | 86 | 76.8 Ų | 76.8 | 60% | 0.601 | 49% | 0.486 | S | S | * | . | trans | -119.3 | 126.9 | 149.9 | 74.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1021 | E | 27.7 | Very low | 35.8 | Very low | 275 Ų | 275 | 78.5 Ų | 78.5 | 100% | 1.285 | 48% | 0.477 | S | S | * | . | trans | -55.8 | 0 | 166.3 | -72.3 | -167.8 | 142.4 | 0 | 0 | 111.9 |
Retrieved 1,021 of 1,021 residues in 687.7 ms
(Link to these results)