| 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 | 82.8 | Confident | 88 | Confident | 134 Ų | 134 | 79.4 Ų | 79.4 | 66% | 0.66 | 42% | 0.415 | S | S | * | . | 0 | 162.1 | 0 | -63.7 | 177.5 | 171.8 | 0 | 0 | 108.8 | G16 V17 V60 | M1-G16 PolarHBondContact O-N 2.8Å; M1-V17 WeakPolarHBondContact CB-O 3.28Å; M1-V17 PolarHBondContact N-O 2.83Å; M1-V17 PolarHBondContact O-N 2.55Å; M1-V60 HydrophobicContact SD-CG1 3.74Å; M1-V60 HydrophobicContact SD-CG2 4.48Å | |||
| 2 | E | 87.4 | Confident | 88.3 | Confident | 154 Ų | 154 | 80.9 Ų | 80.9 | 72% | 0.72 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 128.6 | 174.9 | -68.2 | -178.7 | -178.5 | 0 | 0 | 109.2 | V13 | E2-V13 HydrophobicContact CB-CG1 3.92Å; E2-V13 HydrophobicContact CG-CG1 4.31Å |
| 3 | L | 88.3 | Confident | 88.5 | Confident | 8 Ų | 8 | 80.8 Ų | 80.8 | 4% | 0.042 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 124.8 | -178 | -164.2 | 73.2 | 0 | 0 | 0 | 110 | V5 V13 V14 V17 V26 P59 L63 L75 | L3-V5 HydrophobicContact CD2-CG2 3.94Å; L3-V5 HydrophobicContact CG-CG2 4.06Å; L3-V13 WeakPolarHBondContact O-CA 3.24Å; L3-V14 HydrophobicContact CB-CB 4.41Å; L3-V14 PolarHBondContact N-O 3.35Å; L3-V14 PolarHBondContact O-N 3.37Å; L3-V17 HydrophobicContact CB-CB 4.46Å; L3-V17 HydrophobicContact CB-CG2 3.94Å; L3-V17 HydrophobicContact CD2-CG1 4.46Å; L3-V26 HydrophobicContact CD2-CG1 4.09Å; L3-P59 HydrophobicContact CD2-CB 3.94Å; L3-P59 HydrophobicContact CD2-CG 3.95Å; L3-L63 HydrophobicContact CD1-CD1 3.51Å; L3-L75 HydrophobicContact CD1-CD1 3.5Å; L3-L75 HydrophobicContact CD2-CD1 3.74Å; L3-L75 HydrophobicContact CG-CD1 3.62Å |
| 4 | K | 91.8 | Very high | 88.5 | Confident | 131 Ų | 131 | 76.6 Ų | 76.6 | 57% | 0.57 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 117 | 177.6 | -65.6 | 179.8 | -178.5 | 179 | 0 | 109.6 | Q11 V13 | K4-Q11 HydrophobicContact CB-CG 4.37Å; K4-V13 HydrophobicContact CG-CG2 4.43Å |
| 5 | V | 91.9 | Very high | 88.6 | Confident | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.7 | -178.6 | -173.3 | 0 | 0 | 0 | 0 | 110 | L3 R12 L30 L75 L77 | L3-V5 HydrophobicContact CD2-CG2 3.94Å; L3-V5 HydrophobicContact CG-CG2 4.06Å; V5-R12 PolarHBondContact N-O 3.33Å; V5-R12 PolarHBondContact O-N 3.13Å; V5-L30 HydrophobicContact CB-CD1 3.95Å; V5-L30 HydrophobicContact CG1-CD1 3.71Å; V5-L30 HydrophobicContact CG2-CD1 4.14Å; V5-L75 CarbonylContact C-O 3.53Å; V5-L75 WeakPolarHBondContact CA-O 3.2Å; V5-L75 HydrophobicContact CB-CB 4.5Å; V5-L75 HydrophobicContact CG1-CB 4.36Å; V5-L75 HydrophobicContact CG2-CB 4.11Å; V5-L75 HydrophobicContact CG2-CD1 4.37Å; V5-L77 HydrophobicContact CG1-CB 4.23Å |
| 6 | W | 91.8 | Very high | 88.4 | Confident | 78 Ų | 78 | 77.4 Ų | 77.4 | 30% | 0.295 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 126.8 | 174.3 | -69.9 | 86.9 | 0 | 0 | 0 | 110.6 | G9 Q11 L75 I76 L77 | W6-G9 WeakPolarHBondContact CZ3-O 3.23Å; W6-Q11 HydrophobicContact CD2-CB 4.24Å; W6-Q11 HydrophobicContact CE3-CB 4.35Å; W6-Q11 HydrophobicContact CH2-CB 4.47Å; W6-Q11 HydrophobicContact CZ2-CB 4.35Å; W6-Q11 HydrophobicContact CZ3-CB 4.46Å; W6-L75 PolarHBondContact N-O 3.37Å; W6-I76 HydrophobicContact CB-CG1 4.18Å; W6-I76 HydrophobicContact CB-CG2 4.46Å; W6-L77 PolarHBondContact O-N 3.37Å |
| 7 | V | 89.9 | Confident | 88.3 | Confident | 6 Ų | 6 | 73.2 Ų | 73.2 | 4% | 0.036 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 120.4 | 179 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | G9 V10 R12 L30 I34 L77 | V7-G9 PolarHBondContact O-N 3.42Å; V7-G9 VanDerWaalsContact O-N 3.07Å; V7-V10 PolarHBondContact N-O 3.3Å; V7-V10 PolarHBondContact O-N 2.82Å; V7-R12 HydrophobicContact CG2-CG 4.48Å; V7-L30 HydrophobicContact CG2-CD2 4.36Å; V7-I34 HydrophobicContact CB-CD1 4.35Å; V7-I34 HydrophobicContact CG1-CD1 3.28Å; V7-I34 HydrophobicContact CG1-CG1 3.99Å; V7-I34 HydrophobicContact CG2-CD1 4.21Å; V7-L77 HydrophobicContact CG1-CD2 4.34Å; V7-L77 HydrophobicContact CG2-CB 4.01Å; V7-L77 HydrophobicContact CG2-CD2 4.05Å |
| 8 | D | 83.6 | Confident | 88.3 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 63% | 0.631 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 37 | 178.4 | -62.4 | -21.8 | 0 | 0 | 0 | 113.4 | R36 | D8-R36 IonicContact OD2-NH1 2.8Å; D8-R36 PolarHBondContact OD2-NH1 2.92Å |
| 9 | G | 82.9 | Confident | 88.1 | Confident | 62 Ų | 62 | 75.9 Ų | 75.9 | 64% | 0.639 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.6 | 2.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | W6 V7 | W6-G9 WeakPolarHBondContact CZ3-O 3.23Å; V7-G9 PolarHBondContact O-N 3.42Å; V7-G9 VanDerWaalsContact O-N 3.07Å |
| 10 | V | 87.7 | Confident | 88.1 | Confident | 88 Ų | 88 | 76.3 Ų | 76.3 | 53% | 0.533 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 131.1 | 177.3 | -176.2 | 0 | 0 | 0 | 0 | 110.5 | V7 R12 | V7-V10 PolarHBondContact N-O 3.3Å; V7-V10 PolarHBondContact O-N 2.82Å; V10-R12 PolarHBondContact O-N 2.83Å |
| 11 | Q | 90.3 | Very high | 88.2 | Confident | 94 Ų | 94 | 73.8 Ų | 73.8 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 123.1 | 175.1 | -172.3 | 171.6 | 59.2 | 0 | 0 | 110.6 | K4 W6 | K4-Q11 HydrophobicContact CB-CG 4.37Å; W6-Q11 HydrophobicContact CD2-CB 4.24Å; W6-Q11 HydrophobicContact CE3-CB 4.35Å; W6-Q11 HydrophobicContact CH2-CB 4.47Å; W6-Q11 HydrophobicContact CZ2-CB 4.35Å; W6-Q11 HydrophobicContact CZ3-CB 4.46Å |
| 12 | R | 91 | Very high | 88.7 | Confident | 98 Ų | 98 | 69 Ų | 69 | 37% | 0.37 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 148.3 | 173.6 | -64.5 | -167.7 | 176.1 | -152.3 | -0.4 | 110.3 | V5 V7 V10 L30 | V5-R12 PolarHBondContact N-O 3.33Å; V5-R12 PolarHBondContact O-N 3.13Å; V7-R12 HydrophobicContact CG2-CG 4.48Å; V10-R12 PolarHBondContact O-N 2.83Å; R12-L30 HydrophobicContact CB-CD2 4.49Å |
| 13 | V | 90.5 | Very high | 88.9 | Confident | 79 Ų | 79 | 61.8 Ų | 61.8 | 48% | 0.479 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 124.4 | 178.1 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | E2 L3 K4 | E2-V13 HydrophobicContact CB-CG1 3.92Å; E2-V13 HydrophobicContact CG-CG1 4.31Å; L3-V13 WeakPolarHBondContact O-CA 3.24Å; K4-V13 HydrophobicContact CG-CG2 4.43Å |
| 14 | V | 89.7 | Confident | 89 | Confident | 22 Ų | 22 | 66.5 Ų | 66.5 | 13% | 0.133 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 116.1 | 172.1 | -173.2 | 0 | 0 | 0 | 0 | 107.9 | L3 V17 V26 L30 | L3-V14 HydrophobicContact CB-CB 4.41Å; L3-V14 PolarHBondContact N-O 3.35Å; L3-V14 PolarHBondContact O-N 3.37Å; V14-V17 HydrophobicContact CB-CG2 3.97Å; V14-V17 HydrophobicContact CG1-CG2 3.62Å; V14-V26 HydrophobicContact CG2-CG1 4.38Å; V14-L30 HydrophobicContact CG2-CD1 4.14Å; V14-L30 HydrophobicContact CG2-CD2 3.52Å; V14-L30 HydrophobicContact CG2-CG 3.81Å |
| 15 | C | 88.9 | Confident | 89 | Confident | 102 Ų | 102 | 65.2 Ų | 65.2 | 69% | 0.689 | 38% | 0.382 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 150.9 | 175.9 | 57.4 | 0 | 0 | 0 | 0 | 111 | ||
| 16 | G | 85.6 | Confident | 89 | Confident | 65 Ų | 65 | 65.5 Ų | 65.5 | 67% | 0.67 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 85.7 | 10.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | M1 | M1-G16 PolarHBondContact O-N 2.8Š|
| 17 | V | 87.6 | Confident | 88.9 | Confident | 5 Ų | 5 | 62.5 Ų | 62.5 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | trans | -72.1 | 134 | 178.5 | -172.1 | 0 | 0 | 0 | 0 | 110 | M1 L3 V14 T21 V26 V60 | M1-V17 WeakPolarHBondContact CB-O 3.28Å; M1-V17 PolarHBondContact N-O 2.83Å; M1-V17 PolarHBondContact O-N 2.55Å; L3-V17 HydrophobicContact CB-CB 4.46Å; L3-V17 HydrophobicContact CB-CG2 3.94Å; L3-V17 HydrophobicContact CD2-CG1 4.46Å; V14-V17 HydrophobicContact CB-CG2 3.97Å; V14-V17 HydrophobicContact CG1-CG2 3.62Å; V17-T21 WeakPolarHBondContact CG1-OG1 3.39Å; V17-V26 HydrophobicContact CG1-CG2 4.43Å; V17-V60 HydrophobicContact CG1-CG2 3.65Å | ||
| 18 | T | 87.9 | Confident | 88.9 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 46% | 0.46 | 39% | 0.39 | S | S | . | . | trans | -124.1 | 167.9 | 176.7 | 67.8 | 0 | 0 | 0 | 0 | 110.5 | A20 T21 | T18-A20 PolarHBondContact O-N 3.34Å; T18-A20 VanDerWaalsContact O-N 3.14Å; T18-T21 PolarHBondContact N-OG1 2.82Å; T18-T21 PolarHBondContact O-N 3.48Å; T18-T21 PolarHBondContact O-OG1 3.3Å | ||
| 19 | E | 85.3 | Confident | 89.2 | Confident | 123 Ų | 123 | 62.3 Ų | 62.3 | 58% | 0.575 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -22.9 | 179.9 | -64.2 | -178.9 | 173.7 | 0 | 0 | 113.7 | S58 V60 | E19-S58 WeakPolarHBondContact O-CB 3.41Å; E19-S58 PolarHBondContact O-OG 2.91Å; E19-V60 HydrophobicContact CG-CG1 4.05Å |
| 20 | A | 86.6 | Confident | 89.6 | Confident | 84 Ų | 84 | 59.8 Ų | 59.8 | 69% | 0.694 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -15.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T18 T22 | T18-A20 PolarHBondContact O-N 3.34Å; T18-A20 VanDerWaalsContact O-N 3.14Å; A20-T22 PolarHBondContact O-N 2.83Å |
| 21 | T | 91.4 | Very high | 89.6 | Confident | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 33% | 0.328 | C | S | . | . | trans | -68.8 | 132.3 | 179.5 | 55.7 | 0 | 0 | 0 | 0 | 110.7 | V17 T18 E25 S58 P59 | V17-T21 WeakPolarHBondContact CG1-OG1 3.39Å; T18-T21 PolarHBondContact N-OG1 2.82Å; T18-T21 PolarHBondContact O-N 3.48Å; T18-T21 PolarHBondContact O-OG1 3.3Å; T21-E25 WeakPolarHBondContact CA-OE2 3.48Å; T21-S58 WeakPolarHBondContact O-CA 3.28Å; T21-S58 WeakPolarHBondContact O-CB 3.3Å; T21-P59 VanDerWaalsContact O-CD 3.28Å; T21-P59 WeakPolarHBondContact O-CD 3.23Å | ||
| 22 | T | 93 | Very high | 89.4 | Confident | 35 Ų | 35 | 58 Ų | 58 | 22% | 0.215 | 34% | 0.338 | C | S | . | . | trans | -88.4 | 156.3 | -178.4 | 59.3 | 0 | 0 | 0 | 0 | 111.2 | A20 Q24 E25 V26 | A20-T22 PolarHBondContact O-N 2.83Å; T22-Q24 PolarHBondContact O-N 2.8Å; T22-E25 PolarHBondContact N-OE2 2.83Å; T22-E25 PolarHBondContact O-N 3.47Å; T22-E25 VanDerWaalsContact O-N 3.1Å; T22-E25 WeakPolarHBondContact OG1-CG 3.3Å; T22-E25 PolarHBondContact OG1-N 3.11Å; T22-V26 PolarHBondContact O-N 2.72Å | ||
| 23 | C | 90.6 | Very high | 89.2 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.014 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -56.4 | -35.3 | 172.6 | -71.6 | 0 | 0 | 0 | 0 | 110.7 | V26 V27 L42 L53 E57 | C23-V26 PolarHBondContact O-N 3.16Å; C23-V27 VanDerWaalsContact O-CB 3.23Å; C23-V27 WeakPolarHBondContact O-CB 3.35Å; C23-V27 WeakPolarHBondContact O-CG2 3.45Å; C23-V27 PolarHBondContact O-N 3.28Å; C23-L42 HydrophobicContact CB-CB 4.49Å; C23-L53 VanDerWaalsContact SG-CD1 3.52Å; C23-E57 WeakPolarHBondContact CB-O 3.49Å; C23-E57 PolarHBondContact N-O 3.45Å; C23-E57 PolarHBondContact SG-O 3.44Å |
| 24 | Q | 91.1 | Very high | 88.9 | Confident | 107 Ų | 107 | 54.6 Ų | 54.6 | 50% | 0.5 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.7 | -48.6 | 174.1 | 179.6 | 174 | -8.9 | 0 | 0 | 112.8 | T22 V27 I28 P55 | T22-Q24 PolarHBondContact O-N 2.8Å; Q24-V27 PolarHBondContact O-N 2.91Å; Q24-I28 HydrophobicContact CG-CD1 3.72Å; Q24-I28 HydrophobicContact CG-CG1 4.49Å; Q24-I28 WeakPolarHBondContact O-CB 3.38Å; Q24-I28 WeakPolarHBondContact O-CD1 3.25Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.43Å; Q24-P55 HydrophobicContact CB-CB 4.18Å; Q24-P55 VanDerWaalsContact CB-O 3.3Å; Q24-P55 WeakPolarHBondContact CB-O 3.39Å; Q24-P55 PolarHBondContact N-O 2.78Å; Q24-P55 VanDerWaalsContact N-O 3.08Å |
| 25 | E | 91.7 | Very high | 88.6 | Confident | 104 Ų | 104 | 56.5 Ų | 56.5 | 49% | 0.486 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 179.7 | -73.2 | 166.7 | -179 | 0 | 0 | 112 | T21 T22 I28 A29 | T21-E25 WeakPolarHBondContact CA-OE2 3.48Å; T22-E25 PolarHBondContact N-OE2 2.83Å; T22-E25 PolarHBondContact O-N 3.47Å; T22-E25 VanDerWaalsContact O-N 3.1Å; T22-E25 WeakPolarHBondContact OG1-CG 3.3Å; T22-E25 PolarHBondContact OG1-N 3.11Å; E25-I28 PolarHBondContact O-N 2.84Å; E25-A29 WeakPolarHBondContact O-CB 3.22Å; E25-A29 PolarHBondContact O-N 2.94Å |
| 26 | V | 91.1 | Very high | 88.2 | Confident | 6 Ų | 6 | 56 Ų | 56 | 4% | 0.036 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.1 | L3 V14 V17 T22 C23 A29 L30 L42 P59 | L3-V26 HydrophobicContact CD2-CG1 4.09Å; V14-V26 HydrophobicContact CG2-CG1 4.38Å; V17-V26 HydrophobicContact CG1-CG2 4.43Å; T22-V26 PolarHBondContact O-N 2.72Å; C23-V26 PolarHBondContact O-N 3.16Å; V26-A29 PolarHBondContact O-N 3.45Å; V26-L30 HydrophobicContact CG1-CD1 4.02Å; V26-L30 WeakPolarHBondContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.29Å; V26-L30 PolarHBondContact O-N 2.67Å; V26-L42 HydrophobicContact CB-CD1 4.3Å; V26-L42 HydrophobicContact CG1-CD1 3.84Å; V26-P59 HydrophobicContact CG2-CG 3.98Å |
| 27 | V | 91.3 | Very high | 87.9 | Confident | 14 Ų | 14 | 56.7 Ų | 56.7 | 9% | 0.085 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.9 | -45 | 176 | 162.8 | 0 | 0 | 0 | 0 | 111.3 | C23 Q24 L30 A31 Y40 L42 L77 | C23-V27 VanDerWaalsContact O-CB 3.23Å; C23-V27 WeakPolarHBondContact O-CB 3.35Å; C23-V27 WeakPolarHBondContact O-CG2 3.45Å; C23-V27 PolarHBondContact O-N 3.28Å; Q24-V27 PolarHBondContact O-N 2.91Å; V27-L30 PolarHBondContact O-N 3.47Å; V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 3.21Å; V27-A31 PolarHBondContact O-N 3.34Å; V27-Y40 HydrophobicContact CG1-CD2 4.48Å; V27-Y40 HydrophobicContact CG1-CG 4.32Å; V27-L42 HydrophobicContact CG2-CB 4.02Å; V27-L42 HydrophobicContact CG2-CD1 4.08Å; V27-L42 HydrophobicContact CG2-CG 4.49Å; V27-L77 HydrophobicContact CB-CD1 4.29Å; V27-L77 HydrophobicContact CG1-CD1 4.2Å; V27-L77 HydrophobicContact CG2-CD1 3.73Å |
| 28 | I | 89.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 58.1 Ų | 58.1 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.9 | -46.6 | 178.4 | -70.2 | 165.9 | 0 | 0 | 0 | 110.3 | Q24 E25 L30 A31 Q32 | Q24-I28 HydrophobicContact CG-CD1 3.72Å; Q24-I28 HydrophobicContact CG-CG1 4.49Å; Q24-I28 WeakPolarHBondContact O-CB 3.38Å; Q24-I28 WeakPolarHBondContact O-CD1 3.25Å; Q24-I28 WeakPolarHBondContact O-CG1 3.42Å; Q24-I28 PolarHBondContact O-N 3.43Å; E25-I28 PolarHBondContact O-N 2.84Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.03Å; I28-A31 PolarHBondContact O-N 2.76Å; I28-Q32 HydrophobicContact CG2-CG 4.27Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 VanDerWaalsContact O-CG 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.46Å; I28-Q32 PolarHBondContact O-N 3.03Å |
| 29 | A | 90.3 | Very high | 87.6 | Confident | 47 Ų | 47 | 63 Ų | 63 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.4 | -44 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E25 V26 A33 | E25-A29 WeakPolarHBondContact O-CB 3.22Å; E25-A29 PolarHBondContact O-N 2.94Å; V26-A29 PolarHBondContact O-N 3.45Å; A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.36Å |
| 30 | L | 90 | Very high | 87.8 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64 | -49.4 | 175.3 | -75.5 | 170.9 | 0 | 0 | 0 | 111.5 | V5 V7 R12 V14 V26 V27 I28 Q32 A33 I34 L77 | V5-L30 HydrophobicContact CB-CD1 3.95Å; V5-L30 HydrophobicContact CG1-CD1 3.71Å; V5-L30 HydrophobicContact CG2-CD1 4.14Å; V7-L30 HydrophobicContact CG2-CD2 4.36Å; R12-L30 HydrophobicContact CB-CD2 4.49Å; V14-L30 HydrophobicContact CG2-CD1 4.14Å; V14-L30 HydrophobicContact CG2-CD2 3.52Å; V14-L30 HydrophobicContact CG2-CG 3.81Å; V26-L30 HydrophobicContact CG1-CD1 4.02Å; V26-L30 WeakPolarHBondContact O-CB 3.3Å; V26-L30 WeakPolarHBondContact O-CG 3.29Å; V26-L30 PolarHBondContact O-N 2.67Å; V27-L30 PolarHBondContact O-N 3.47Å; I28-L30 VanDerWaalsContact C-N 3.35Å; I28-L30 PolarHBondContact O-N 3.03Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.85Å; L30-A33 PolarHBondContact O-N 2.76Å; L30-A33 VanDerWaalsContact O-N 3.14Å; L30-I34 HydrophobicContact CB-CD1 4.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.38Å; L30-I34 WeakPolarHBondContact O-CG1 3.34Å; L30-I34 PolarHBondContact O-N 2.88Å; L30-L77 HydrophobicContact CB-CD2 3.97Å; L30-L77 HydrophobicContact CD1-CD1 4.44Å; L30-L77 HydrophobicContact CD1-CD2 4.42Å |
| 31 | A | 88.4 | Confident | 88 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -58.4 | -41.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V27 I28 I34 G35 R36 Y40 | V27-A31 VanDerWaalsContact O-CB 3.25Å; V27-A31 WeakPolarHBondContact O-CB 3.21Å; V27-A31 PolarHBondContact O-N 3.34Å; I28-A31 PolarHBondContact O-N 2.76Å; A31-I34 PolarHBondContact O-N 3.41Å; A31-G35 PolarHBondContact O-N 3.47Å; A31-G35 VanDerWaalsContact O-N 3.12Å; A31-R36 PolarHBondContact O-N 3.32Å; A31-Y40 HydrophobicContact CB-CD2 3.77Å; A31-Y40 HydrophobicContact CB-CE2 3.54Å |
| 32 | Q | 87.1 | Confident | 87.9 | Confident | 136 Ų | 136 | 55.5 Ų | 55.5 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.9 | -44 | 174.8 | -74.1 | 176.5 | -4.7 | 0 | 0 | 111.8 | I28 L30 I34 G35 | I28-Q32 HydrophobicContact CG2-CG 4.27Å; I28-Q32 WeakPolarHBondContact O-CB 3.49Å; I28-Q32 VanDerWaalsContact O-CG 3.26Å; I28-Q32 WeakPolarHBondContact O-CG 3.46Å; I28-Q32 PolarHBondContact O-N 3.03Å; L30-Q32 VanDerWaalsContact C-N 3.29Å; L30-Q32 PolarHBondContact O-N 2.85Å; Q32-I34 VanDerWaalsContact C-N 3.27Å; Q32-I34 PolarHBondContact O-N 3.17Å; Q32-G35 PolarHBondContact O-N 2.81Å |
| 33 | A | 86.8 | Confident | 87.9 | Confident | 74 Ų | 74 | 54.1 Ų | 54.1 | 61% | 0.612 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -67.6 | -25 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A29 L30 G35 | A29-A33 WeakPolarHBondContact O-CB 3.48Å; A29-A33 PolarHBondContact O-N 3.36Å; L30-A33 PolarHBondContact O-N 2.76Å; L30-A33 VanDerWaalsContact O-N 3.14Å; A33-G35 VanDerWaalsContact C-N 3.35Å |
| 34 | I | 84.2 | Confident | 87.9 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 17% | 0.169 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -84.2 | -15.5 | 174.3 | -58.2 | 151.9 | 0 | 0 | 0 | 110.9 | V7 L30 A31 Q32 R36 L77 | V7-I34 HydrophobicContact CB-CD1 4.35Å; V7-I34 HydrophobicContact CG1-CD1 3.28Å; V7-I34 HydrophobicContact CG1-CG1 3.99Å; V7-I34 HydrophobicContact CG2-CD1 4.21Å; L30-I34 HydrophobicContact CB-CD1 4.39Å; L30-I34 WeakPolarHBondContact O-CD1 3.38Å; L30-I34 WeakPolarHBondContact O-CG1 3.34Å; L30-I34 PolarHBondContact O-N 2.88Å; A31-I34 PolarHBondContact O-N 3.41Å; Q32-I34 VanDerWaalsContact C-N 3.27Å; Q32-I34 PolarHBondContact O-N 3.17Å; I34-R36 HydrophobicContact CG2-CB 4.13Å; I34-R36 HydrophobicContact CG2-CG 4.04Å; I34-R36 PolarHBondContact O-N 2.79Å; I34-L77 HydrophobicContact CD1-CD2 3.85Å |
| 35 | G | 82.1 | Confident | 87.8 | Confident | 62 Ų | 62 | 52.3 Ų | 52.3 | 64% | 0.639 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | 11.5 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | A31 Q32 A33 | A31-G35 PolarHBondContact O-N 3.47Å; A31-G35 VanDerWaalsContact O-N 3.12Å; Q32-G35 PolarHBondContact O-N 2.81Å; A33-G35 VanDerWaalsContact C-N 3.35Å |
| 36 | R | 81.3 | Confident | 87.6 | Confident | 92 Ų | 92 | 50 Ų | 50 | 35% | 0.347 | 28% | 0.278 | S | S | . | . | trans | -113.3 | 103.2 | -179.4 | -71.6 | -179.1 | 163.6 | 159.3 | 1.5 | 109.6 | D8 A31 I34 Y40 E86 | D8-R36 IonicContact OD2-NH1 2.8Å; D8-R36 PolarHBondContact OD2-NH1 2.92Å; A31-R36 PolarHBondContact O-N 3.32Å; I34-R36 HydrophobicContact CG2-CB 4.13Å; I34-R36 HydrophobicContact CG2-CG 4.04Å; I34-R36 PolarHBondContact O-N 2.79Å; R36-Y40 VanDerWaalsContact CB-OH 3.22Å; R36-Y40 WeakPolarHBondContact CB-OH 3.45Å; R36-Y40 VanDerWaalsContact O-CE2 3.26Å; R36-Y40 WeakPolarHBondContact O-CE2 3.4Å; R36-Y40 PolarHBondContact O-OH 3.25Å; R36-E86 IonicContact CZ-OE1 2.81Å; R36-E86 IonicContact NE-OE1 3Å; R36-E86 PolarHBondContact NE-OE1 3.4Å; R36-E86 IonicContact NE-OE2 3.76Å; R36-E86 IonicContact NH2-OE1 3.89Å; R36-E86 PolarHBondContact NH2-OE1 3.04Å | ||
| 37 | T | 78.3 | Confident | 87.3 | Confident | 78 Ų | 78 | 58 Ų | 58 | 48% | 0.479 | 31% | 0.308 | S | S | . | . | trans | -86.3 | 132 | 177.5 | 54.2 | 0 | 0 | 0 | 0 | 110.8 | S83 | T37-S83 WeakPolarHBondContact O-CA 3.36Å; T37-S83 WeakPolarHBondContact O-CB 3.45Å | ||
| 38 | G | 82.4 | Confident | 86.7 | Confident | 36 Ų | 36 | 65 Ų | 65 | 37% | 0.371 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -177.2 | -179.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y40 | G38-Y40 VanDerWaalsContact O-CD2 3.24Å; G38-Y40 WeakPolarHBondContact O-CD2 3.39Å |
| 39 | R | 86.4 | Confident | 86.4 | Confident | 176 Ų | 176 | 65.2 Ų | 65.2 | 66% | 0.664 | 35% | 0.35 | S | S | * | . | trans | -85.1 | 116.8 | 171.6 | -65.9 | -177.3 | -178.2 | -179.2 | 1 | 108.8 | T80 G81 | R39-T80 PolarHBondContact O-N 3.21Å; R39-G81 PolarHBondContact O-N 3.13Å | ||
| 40 | Y | 89.5 | Confident | 86.4 | Confident | 32 Ų | 32 | 68.2 Ų | 68.2 | 13% | 0.125 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 151 | 179.4 | -64 | -85.4 | 0 | 0 | 0 | 109.8 | V27 A31 R36 G38 L77 H78 R79 | V27-Y40 HydrophobicContact CG1-CD2 4.48Å; V27-Y40 HydrophobicContact CG1-CG 4.32Å; A31-Y40 HydrophobicContact CB-CD2 3.77Å; A31-Y40 HydrophobicContact CB-CE2 3.54Å; R36-Y40 VanDerWaalsContact CB-OH 3.22Å; R36-Y40 WeakPolarHBondContact CB-OH 3.45Å; R36-Y40 VanDerWaalsContact O-CE2 3.26Å; R36-Y40 WeakPolarHBondContact O-CE2 3.4Å; R36-Y40 PolarHBondContact O-OH 3.25Å; G38-Y40 VanDerWaalsContact O-CD2 3.24Å; G38-Y40 WeakPolarHBondContact O-CD2 3.39Å; Y40-L77 HydrophobicContact CD1-CD1 4.4Å; Y40-L77 HydrophobicContact CD1-CD2 4.07Å; Y40-L77 HydrophobicContact CD1-CG 3.96Å; Y40-L77 HydrophobicContact CE1-CD2 4.39Å; Y40-L77 HydrophobicContact CG-CD1 4.39Å; Y40-L77 HydrophobicContact CG-CG 4.43Å; Y40-H78 CarbonylContact C-O 3.6Å; Y40-H78 VanDerWaalsContact CA-O 3.28Å; Y40-H78 WeakPolarHBondContact CA-O 3.19Å; Y40-R79 HydrophobicContact CD1-CB 3.82Å; Y40-R79 HydrophobicContact CD1-CG 4.11Å; Y40-R79 HydrophobicContact CE1-CB 3.77Å; Y40-R79 HydrophobicContact CE1-CG 3.82Å |
| 41 | T | 90.6 | Very high | 86.4 | Confident | 39 Ų | 39 | 72.4 Ų | 72.4 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 143.1 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 108.8 | H78 T80 | T41-H78 PolarHBondContact N-O 2.8Å; T41-H78 PolarHBondContact O-N 3.41Å; T41-T80 WeakPolarHBondContact CG2-OG1 3.4Å; T41-T80 PolarHBondContact OG1-OG1 2.82Å |
| 42 | L | 91.1 | Very high | 86.4 | Confident | 2 Ų | 2 | 77.6 Ų | 77.6 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 129.3 | 178.7 | -145.3 | 148.3 | 0 | 0 | 0 | 108.5 | C23 V26 V27 L53 L75 | C23-L42 HydrophobicContact CB-CB 4.49Å; V26-L42 HydrophobicContact CB-CD1 4.3Å; V26-L42 HydrophobicContact CG1-CD1 3.84Å; V27-L42 HydrophobicContact CG2-CB 4.02Å; V27-L42 HydrophobicContact CG2-CD1 4.08Å; V27-L42 HydrophobicContact CG2-CG 4.49Å; L42-L53 HydrophobicContact CD2-CD1 3.93Å; L42-L53 WeakPolarHBondContact O-CB 3.39Å; L42-L53 PolarHBondContact O-N 2.86Å; L42-L75 HydrophobicContact CD2-CB 3.85Å; L42-L75 HydrophobicContact CD2-CD1 4.19Å; L42-L75 HydrophobicContact CD2-CD2 3.41Å; L42-L75 VanDerWaalsContact CD2-CD2 3.41Å; L42-L75 HydrophobicContact CD2-CG 4Å |
| 43 | V | 91.3 | Very high | 86.5 | Confident | 6 Ų | 6 | 71.4 Ų | 71.4 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 129.5 | -176.2 | -176.4 | 0 | 0 | 0 | 0 | 109.1 | E50 R51 H52 L75 I76 H78 | V43-E50 HydrophobicContact CG1-CB 4.22Å; V43-R51 CarbonylContact C-O 3.57Å; V43-R51 WeakPolarHBondContact CA-O 3.4Å; V43-H52 WeakPolarHBondContact CG2-ND1 3.28Å; V43-L75 CarbonylContact O-C 3.54Å; V43-L75 WeakPolarHBondContact O-CA 3.46Å; V43-I76 PolarHBondContact N-O 2.88Å; V43-I76 PolarHBondContact O-N 3.38Å; V43-H78 HydrophobicContact CG2-CB 3.68Å |
| 44 | E | 91.1 | Very high | 86.6 | Confident | 3 Ų | 3 | 69.1 Ų | 69.1 | 1% | 0.014 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 116.3 | 170.8 | -77.7 | 177.3 | 169.8 | 0 | 0 | 109.3 | E50 R51 L53 S62 V73 L75 | E44-E50 WeakPolarHBondContact O-CA 3.27Å; E44-R51 HydrophobicContact CB-CB 4.47Å; E44-R51 PolarHBondContact N-O 3.08Å; E44-R51 PolarHBondContact O-N 2.87Å; E44-R51 IonicContact OE2-NH1 3.27Å; E44-L53 HydrophobicContact CG-CD1 3.9Å; E44-L53 HydrophobicContact CG-CD2 4.21Å; E44-L53 HydrophobicContact CG-CG 4.04Å; E44-L53 WeakPolarHBondContact OE1-CD1 3.35Å; E44-S62 WeakPolarHBondContact OE1-CB 3.36Å; E44-V73 HydrophobicContact CB-CG1 4.16Å; E44-V73 HydrophobicContact CG-CG1 4.24Å; E44-L75 HydrophobicContact CB-CD2 4.45Å; E44-L75 HydrophobicContact CG-CD2 3.31Å |
| 45 | K | 89.9 | Confident | 86.9 | Confident | 69 Ų | 69 | 71.1 Ų | 71.1 | 30% | 0.3 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 119.9 | 175.1 | -176.4 | 170.1 | -174.7 | 141.5 | 0 | 109.8 | E50 Q74 I76 | K45-E50 HydrophobicContact CB-CG 4.29Å; K45-E50 HydrophobicContact CD-CG 4.19Å; K45-E50 WeakPolarHBondContact CE-OE1 3.45Å; K45-E50 HydrophobicContact CG-CG 3.97Å; K45-E50 IonicContact NZ-OE1 3.76Å; K45-E50 PolarHBondContact NZ-OE1 3.49Å; K45-Q74 PolarHBondContact N-O 2.94Å; K45-Q74 PolarHBondContact O-N 3.33Å; K45-I76 HydrophobicContact CB-CD1 3.78Å; K45-I76 HydrophobicContact CD-CD1 3.77Å; K45-I76 HydrophobicContact CG-CD1 4.43Å |
| 46 | W | 86.7 | Confident | 87.3 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 21% | 0.205 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 114.4 | 170.1 | -177.8 | 82.5 | 0 | 0 | 0 | 109 | D48 T49 W66 V73 | W46-D48 PolarHBondContact O-N 3.3Å; W46-D48 VanDerWaalsContact O-N 3.1Å; W46-T49 PolarHBondContact N-O 2.93Å; W46-T49 PolarHBondContact O-N 2.88Å; W46-W66 HydrophobicContact CB-CH2 4.41Å; W46-W66 HydrophobicContact CD2-CZ3 4.25Å; W46-W66 HydrophobicContact CE3-CZ3 4.37Å; W46-W66 HydrophobicContact CG-CZ3 4.36Å; W46-V73 HydrophobicContact CB-CG2 4.27Å; W46-V73 HydrophobicContact CG-CG2 4.38Å |
| 47 | R | 84.1 | Confident | 87.7 | Confident | 174 Ų | 174 | 73.5 Ų | 73.5 | 66% | 0.657 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | -114.4 | -172.9 | -58.4 | -177.9 | 176 | -176 | -1.4 | 111.2 | ||
| 48 | D | 80.1 | Confident | 88.2 | Confident | 163 Ų | 163 | 70.9 Ų | 70.9 | 87% | 0.872 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | 5.6 | 179.6 | -56.7 | -46.1 | 0 | 0 | 0 | 113.3 | W46 | W46-D48 PolarHBondContact O-N 3.3Å; W46-D48 VanDerWaalsContact O-N 3.1Å |
| 49 | T | 83 | Confident | 88.4 | Confident | 77 Ų | 77 | 69.2 Ų | 69.2 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 121.1 | 179 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | W46 | W46-T49 PolarHBondContact N-O 2.93Å; W46-T49 PolarHBondContact O-N 2.88Å |
| 50 | E | 89.9 | Confident | 88.5 | Confident | 110 Ų | 110 | 61.2 Ų | 61.2 | 51% | 0.514 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.6 | 175.3 | -66.4 | -178.5 | 177.7 | 0 | 0 | 109.5 | V43 E44 K45 | V43-E50 HydrophobicContact CG1-CB 4.22Å; E44-E50 WeakPolarHBondContact O-CA 3.27Å; K45-E50 HydrophobicContact CB-CG 4.29Å; K45-E50 HydrophobicContact CD-CG 4.19Å; K45-E50 WeakPolarHBondContact CE-OE1 3.45Å; K45-E50 HydrophobicContact CG-CG 3.97Å; K45-E50 IonicContact NZ-OE1 3.76Å; K45-E50 PolarHBondContact NZ-OE1 3.49Å |
| 51 | R | 89.7 | Confident | 88.4 | Confident | 97 Ų | 97 | 61.9 Ų | 61.9 | 37% | 0.366 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.8 | 178.3 | -177.9 | 178.5 | 176.6 | -113 | -9.2 | 109.9 | V43 E44 E57 | V43-R51 CarbonylContact C-O 3.57Å; V43-R51 WeakPolarHBondContact CA-O 3.4Å; E44-R51 HydrophobicContact CB-CB 4.47Å; E44-R51 PolarHBondContact N-O 3.08Å; E44-R51 PolarHBondContact O-N 2.87Å; E44-R51 IonicContact OE2-NH1 3.27Å; R51-E57 IonicContact NH2-OE1 3.4Å; R51-E57 PolarHBondContact NH2-OE1 3.42Å; R51-E57 IonicContact NH2-OE2 2.6Å |
| 52 | H | 88.6 | Confident | 88.2 | Confident | 116 Ų | 116 | 60.4 Ų | 60.4 | 54% | 0.537 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 125.6 | 172.7 | -65.2 | -89.5 | 0 | 0 | 0 | 110 | V43 | V43-H52 WeakPolarHBondContact CG2-ND1 3.28Å |
| 53 | L | 88.9 | Confident | 88 | Confident | 7 Ų | 7 | 61.7 Ų | 61.7 | 4% | 0.037 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -82.3 | 139.3 | 173.5 | -63.4 | -178.5 | 0 | 0 | 0 | 110.8 | C23 L42 E44 E57 L75 | C23-L53 VanDerWaalsContact SG-CD1 3.52Å; L42-L53 HydrophobicContact CD2-CD1 3.93Å; L42-L53 WeakPolarHBondContact O-CB 3.39Å; L42-L53 PolarHBondContact O-N 2.86Å; E44-L53 HydrophobicContact CG-CD1 3.9Å; E44-L53 HydrophobicContact CG-CD2 4.21Å; E44-L53 HydrophobicContact CG-CG 4.04Å; E44-L53 WeakPolarHBondContact OE1-CD1 3.35Å; L53-E57 WeakPolarHBondContact CA-OE2 3.36Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.42Å; L53-L75 HydrophobicContact CD1-CD2 4.43Å |
| 54 | A | 89.4 | Confident | 87.8 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 22% | 0.215 | 33% | 0.329 | C | S | . | . | P | Polyproline II helix | trans | -74.9 | 151.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | H56 E57 | A54-H56 VanDerWaalsContact CB-CE1 3.41Å; A54-H56 WeakPolarHBondContact CB-CE1 3.43Å; A54-H56 PolarHBondContact O-N 3.29Å; A54-H56 VanDerWaalsContact O-N 3.08Å; A54-E57 HydrophobicContact CB-CG 4Å; A54-E57 PolarHBondContact N-OE2 3.38Å; A54-E57 PolarHBondContact O-N 2.98Å |
| 55 | P | 89.8 | Confident | 87.5 | Confident | 74 Ų | 74 | 70.7 Ų | 70.7 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -28.1 | -177 | -26 | 34.7 | 0 | 0 | 0 | 114.7 | Q24 | Q24-P55 HydrophobicContact CB-CB 4.18Å; Q24-P55 VanDerWaalsContact CB-O 3.3Å; Q24-P55 WeakPolarHBondContact CB-O 3.39Å; Q24-P55 PolarHBondContact N-O 2.78Å; Q24-P55 VanDerWaalsContact N-O 3.08Å |
| 56 | H | 90.3 | Very high | 87.2 | Confident | 152 Ų | 152 | 71.1 Ų | 71.1 | 70% | 0.704 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -7.2 | -178.2 | 56.8 | -90.5 | 0 | 0 | 0 | 113.9 | A54 | A54-H56 VanDerWaalsContact CB-CE1 3.41Å; A54-H56 WeakPolarHBondContact CB-CE1 3.43Å; A54-H56 PolarHBondContact O-N 3.29Å; A54-H56 VanDerWaalsContact O-N 3.08Å |
| 57 | E | 91.1 | Very high | 87.1 | Confident | 52 Ų | 52 | 70.8 Ų | 70.8 | 24% | 0.243 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -77.4 | 151.8 | 173.8 | -70 | 175.6 | 150.9 | 0 | 0 | 109.7 | C23 R51 L53 A54 | C23-E57 WeakPolarHBondContact CB-O 3.49Å; C23-E57 PolarHBondContact N-O 3.45Å; C23-E57 PolarHBondContact SG-O 3.44Å; R51-E57 IonicContact NH2-OE1 3.4Å; R51-E57 PolarHBondContact NH2-OE1 3.42Å; R51-E57 IonicContact NH2-OE2 2.6Å; L53-E57 WeakPolarHBondContact CA-OE2 3.36Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.42Å; A54-E57 HydrophobicContact CB-CG 4Å; A54-E57 PolarHBondContact N-OE2 3.38Å; A54-E57 PolarHBondContact O-N 2.98Å |
| 58 | S | 89 | Confident | 87 | Confident | 24 Ų | 24 | 71.4 Ų | 71.4 | 17% | 0.168 | 38% | 0.383 | C | S | . | . | trans | -93.7 | 135.4 | 172 | 62.4 | 0 | 0 | 0 | 0 | 110.7 | E19 T21 V60 A61 S62 | E19-S58 WeakPolarHBondContact O-CB 3.41Å; E19-S58 PolarHBondContact O-OG 2.91Å; T21-S58 WeakPolarHBondContact O-CA 3.28Å; T21-S58 WeakPolarHBondContact O-CB 3.3Å; S58-V60 VanDerWaalsContact C-N 3.28Å; S58-V60 PolarHBondContact O-N 3.39Å; S58-A61 PolarHBondContact O-N 3.34Å; S58-A61 WeakPolarHBondContact OG-CB 3.35Å; S58-A61 PolarHBondContact OG-N 2.87Å; S58-S62 WeakPolarHBondContact O-CB 3.24Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.44Å | ||
| 59 | P | 86.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.8 | -30 | -177.2 | 26.9 | -31 | 0 | 0 | 0 | 111.2 | L3 T21 V26 L63 L75 | L3-P59 HydrophobicContact CD2-CB 3.94Å; L3-P59 HydrophobicContact CD2-CG 3.95Å; T21-P59 VanDerWaalsContact O-CD 3.28Å; T21-P59 WeakPolarHBondContact O-CD 3.23Å; V26-P59 HydrophobicContact CG2-CG 3.98Å; P59-L63 WeakPolarHBondContact O-CB 3.27Å; P59-L63 WeakPolarHBondContact O-CG 3.47Å; P59-L63 PolarHBondContact O-N 3.05Å; P59-L75 HydrophobicContact CB-CD1 4.47Å |
| 60 | V | 87.8 | Confident | 87.1 | Confident | 9 Ų | 9 | 67.5 Ų | 67.5 | 6% | 0.055 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.3 | -42.5 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 111.1 | M1 V17 E19 S58 S62 L63 N64 | M1-V60 HydrophobicContact SD-CG1 3.74Å; M1-V60 HydrophobicContact SD-CG2 4.48Å; V17-V60 HydrophobicContact CG1-CG2 3.65Å; E19-V60 HydrophobicContact CG-CG1 4.05Å; S58-V60 VanDerWaalsContact C-N 3.28Å; S58-V60 PolarHBondContact O-N 3.39Å; V60-S62 VanDerWaalsContact C-N 3.3Å; V60-S62 PolarHBondContact O-N 3.22Å; V60-L63 PolarHBondContact O-N 2.89Å; V60-N64 WeakPolarHBondContact O-CB 3.43Å; V60-N64 PolarHBondContact O-N 2.95Å; V60-N64 PolarHBondContact O-ND2 2.86Å |
| 61 | A | 86.9 | Confident | 86.7 | Confident | 45 Ų | 45 | 65.9 Ų | 65.9 | 37% | 0.372 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | S58 N64 T65 | S58-A61 PolarHBondContact O-N 3.34Å; S58-A61 WeakPolarHBondContact OG-CB 3.35Å; S58-A61 PolarHBondContact OG-N 2.87Å; A61-N64 WeakPolarHBondContact O-CB 3.34Å; A61-N64 PolarHBondContact O-N 2.8Å; A61-T65 VanDerWaalsContact O-CG2 3.31Å; A61-T65 WeakPolarHBondContact O-CG2 3.43Å; A61-T65 PolarHBondContact O-N 2.82Å |
| 62 | S | 86.8 | Confident | 86.5 | Confident | 8 Ų | 8 | 66.3 Ų | 66.3 | 6% | 0.056 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -43.3 | 178.6 | -54.6 | 0 | 0 | 0 | 0 | 111.5 | E44 S58 V60 N64 T65 W66 | E44-S62 WeakPolarHBondContact OE1-CB 3.36Å; S58-S62 WeakPolarHBondContact O-CB 3.24Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.44Å; V60-S62 VanDerWaalsContact C-N 3.3Å; V60-S62 PolarHBondContact O-N 3.22Å; S62-N64 VanDerWaalsContact C-N 3.35Å; S62-N64 PolarHBondContact O-N 3.07Å; S62-T65 WeakPolarHBondContact O-CB 3.33Å; S62-T65 PolarHBondContact O-N 3.41Å; S62-T65 PolarHBondContact O-OG1 3.27Å; S62-W66 VanDerWaalsContact O-CD1 3.24Å |
| 63 | L | 87.3 | Confident | 86.5 | Confident | 29 Ų | 29 | 61.4 Ų | 61.4 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 169.1 | -73.8 | 177 | 0 | 0 | 0 | 113 | L3 P59 V60 T65 W66 A70 V73 L75 | L3-L63 HydrophobicContact CD1-CD1 3.51Å; P59-L63 WeakPolarHBondContact O-CB 3.27Å; P59-L63 WeakPolarHBondContact O-CG 3.47Å; P59-L63 PolarHBondContact O-N 3.05Å; V60-L63 PolarHBondContact O-N 2.89Å; L63-T65 PolarHBondContact O-N 3.04Å; L63-W66 WeakPolarHBondContact O-CB 3.48Å; L63-W66 PolarHBondContact O-N 3.32Å; L63-W66 VanDerWaalsContact O-N 3.08Å; L63-A70 WeakPolarHBondContact O-CB 3.27Å; L63-V73 HydrophobicContact CD2-CB 3.84Å; L63-V73 HydrophobicContact CD2-CG1 3.8Å; L63-L75 HydrophobicContact CD1-CD1 3.87Å; L63-L75 HydrophobicContact CD2-CD1 4.5Å; L63-L75 HydrophobicContact CD2-CD2 4.36Å; L63-L75 HydrophobicContact CD2-CG 4.34Å; L63-L75 HydrophobicContact CG-CD1 4.28Å |
| 64 | N | 86.4 | Confident | 86.6 | Confident | 93 Ų | 93 | 65.3 Ų | 65.3 | 50% | 0.497 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.7 | -26 | 178.4 | -75.7 | -13.3 | 0 | 0 | 0 | 112.7 | V60 A61 S62 W66 G67 | V60-N64 WeakPolarHBondContact O-CB 3.43Å; V60-N64 PolarHBondContact O-N 2.95Å; V60-N64 PolarHBondContact O-ND2 2.86Å; A61-N64 WeakPolarHBondContact O-CB 3.34Å; A61-N64 PolarHBondContact O-N 2.8Å; S62-N64 VanDerWaalsContact C-N 3.35Å; S62-N64 PolarHBondContact O-N 3.07Å; N64-W66 PolarHBondContact O-N 3.2Å; N64-G67 PolarHBondContact O-N 2.81Å; N64-G67 VanDerWaalsContact O-N 3.1Å |
| 65 | T | 86.5 | Confident | 86.7 | Confident | 106 Ų | 106 | 64.1 Ų | 64.1 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.5 | -25.1 | 173.7 | 69.4 | 0 | 0 | 0 | 0 | 113.1 | A61 S62 L63 | A61-T65 VanDerWaalsContact O-CG2 3.31Å; A61-T65 WeakPolarHBondContact O-CG2 3.43Å; A61-T65 PolarHBondContact O-N 2.82Å; S62-T65 WeakPolarHBondContact O-CB 3.33Å; S62-T65 PolarHBondContact O-N 3.41Å; S62-T65 PolarHBondContact O-OG1 3.27Å; L63-T65 PolarHBondContact O-N 3.04Å |
| 66 | W | 82.4 | Confident | 86.8 | Confident | 77 Ų | 77 | 62.8 Ų | 62.8 | 29% | 0.292 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -10.9 | 177.2 | -63.2 | 98.4 | 0 | 0 | 0 | 113.6 | W46 S62 L63 N64 Q68 Y69 A70 V73 | W46-W66 HydrophobicContact CB-CH2 4.41Å; W46-W66 HydrophobicContact CD2-CZ3 4.25Å; W46-W66 HydrophobicContact CE3-CZ3 4.37Å; W46-W66 HydrophobicContact CG-CZ3 4.36Å; S62-W66 VanDerWaalsContact O-CD1 3.24Å; L63-W66 WeakPolarHBondContact O-CB 3.48Å; L63-W66 PolarHBondContact O-N 3.32Å; L63-W66 VanDerWaalsContact O-N 3.08Å; N64-W66 PolarHBondContact O-N 3.2Å; W66-Q68 PolarHBondContact O-N 3.19Å; W66-Q68 VanDerWaalsContact O-N 3.14Å; W66-Y69 PolarHBondContact O-N 3.01Å; W66-A70 HydrophobicContact CB-CB 4.49Å; W66-V73 HydrophobicContact CB-CG2 4.08Å; W66-V73 HydrophobicContact CD2-CG2 4.03Å; W66-V73 HydrophobicContact CG-CG2 3.73Å |
| 67 | G | 84.7 | Confident | 86.9 | Confident | 48 Ų | 48 | 56.1 Ų | 56.1 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | 54.1 | -115.2 | 175 | 0 | 0 | 0 | 0 | 0 | 113.3 | N64 Y69 A70 | N64-G67 PolarHBondContact O-N 2.81Å; N64-G67 VanDerWaalsContact O-N 3.1Å; G67-Y69 PolarHBondContact O-N 3.35Å; G67-A70 VanDerWaalsContact O-CB 3.25Å; G67-A70 WeakPolarHBondContact O-CB 3.36Å; G67-A70 PolarHBondContact O-N 3.32Å |
| 68 | Q | 82.8 | Confident | 86.8 | Confident | 187 Ų | 187 | 58.2 Ų | 58.2 | 87% | 0.874 | 33% | 0.331 | S | S | * | . | G | 310 helix | trans | -65.1 | -23.6 | -178.4 | -65.2 | 178.4 | -4.7 | 0 | 0 | 113.5 | W66 | W66-Q68 PolarHBondContact O-N 3.19Å; W66-Q68 VanDerWaalsContact O-N 3.14Å |
| 69 | Y | 82.9 | Confident | 86.6 | Confident | 128 Ų | 128 | 61.1 Ų | 61.1 | 50% | 0.502 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | -90.9 | 1.4 | 179.8 | -57.1 | -71.4 | 0 | 0 | 0 | 113.2 | W66 G67 G71 D72 | W66-Y69 PolarHBondContact O-N 3.01Å; G67-Y69 PolarHBondContact O-N 3.35Å; Y69-G71 PolarHBondContact O-N 2.92Å; Y69-G71 VanDerWaalsContact O-N 3.1Å; Y69-D72 PolarHBondContact O-N 2.67Å |
| 70 | A | 82.2 | Confident | 86.2 | Confident | 29 Ų | 29 | 65.1 Ų | 65.1 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | G | 310 helix | trans | -57.9 | -26.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L63 W66 G67 D72 | L63-A70 WeakPolarHBondContact O-CB 3.27Å; W66-A70 HydrophobicContact CB-CB 4.49Å; G67-A70 VanDerWaalsContact O-CB 3.25Å; G67-A70 WeakPolarHBondContact O-CB 3.36Å; G67-A70 PolarHBondContact O-N 3.32Å; A70-D72 VanDerWaalsContact C-N 3.31Å; A70-D72 PolarHBondContact O-N 3.35Å |
| 71 | G | 80.8 | Confident | 85.3 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 78% | 0.784 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -69.3 | -23.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y69 | Y69-G71 PolarHBondContact O-N 2.92Å; Y69-G71 VanDerWaalsContact O-N 3.1Å |
| 72 | D | 86.2 | Confident | 84 | Confident | 106 Ų | 106 | 68.9 Ų | 68.9 | 57% | 0.567 | 39% | 0.386 | S | S | * | . | G | 310 helix | trans | -94.6 | -9.8 | -178.6 | -66.7 | -20.7 | 0 | 0 | 0 | 112.7 | Y69 A70 | Y69-D72 PolarHBondContact O-N 2.67Å; A70-D72 VanDerWaalsContact C-N 3.31Å; A70-D72 PolarHBondContact O-N 3.35Å |
| 73 | V | 88.9 | Confident | 82.4 | Confident | 14 Ų | 14 | 69 Ų | 69 | 9% | 0.085 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 128.8 | 178.8 | -177.2 | 0 | 0 | 0 | 0 | 109.6 | E44 W46 L63 W66 | E44-V73 HydrophobicContact CB-CG1 4.16Å; E44-V73 HydrophobicContact CG-CG1 4.24Å; W46-V73 HydrophobicContact CB-CG2 4.27Å; W46-V73 HydrophobicContact CG-CG2 4.38Å; L63-V73 HydrophobicContact CD2-CB 3.84Å; L63-V73 HydrophobicContact CD2-CG1 3.8Å; W66-V73 HydrophobicContact CB-CG2 4.08Å; W66-V73 HydrophobicContact CD2-CG2 4.03Å; W66-V73 HydrophobicContact CG-CG2 3.73Å |
| 74 | Q | 91.2 | Very high | 80.7 | Confident | 88 Ų | 88 | 76.1 Ų | 76.1 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 124 | 175.7 | -63.7 | -177.4 | -2.4 | 0 | 0 | 110 | K45 | K45-Q74 PolarHBondContact N-O 2.94Å; K45-Q74 PolarHBondContact O-N 3.33Å |
| 75 | L | 91.4 | Very high | 78.8 | Confident | 2 Ų | 2 | 76.7 Ų | 76.7 | 1% | 0.01 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 127.8 | 169.8 | -66.5 | 175.5 | 0 | 0 | 0 | 109.4 | L3 V5 W6 L42 V43 E44 L53 P59 L63 | L3-L75 HydrophobicContact CD1-CD1 3.5Å; L3-L75 HydrophobicContact CD2-CD1 3.74Å; L3-L75 HydrophobicContact CG-CD1 3.62Å; V5-L75 CarbonylContact C-O 3.53Å; V5-L75 WeakPolarHBondContact CA-O 3.2Å; V5-L75 HydrophobicContact CB-CB 4.5Å; V5-L75 HydrophobicContact CG1-CB 4.36Å; V5-L75 HydrophobicContact CG2-CB 4.11Å; V5-L75 HydrophobicContact CG2-CD1 4.37Å; W6-L75 PolarHBondContact N-O 3.37Å; L42-L75 HydrophobicContact CD2-CB 3.85Å; L42-L75 HydrophobicContact CD2-CD1 4.19Å; L42-L75 HydrophobicContact CD2-CD2 3.41Å; L42-L75 VanDerWaalsContact CD2-CD2 3.41Å; L42-L75 HydrophobicContact CD2-CG 4Å; V43-L75 CarbonylContact O-C 3.54Å; V43-L75 WeakPolarHBondContact O-CA 3.46Å; E44-L75 HydrophobicContact CB-CD2 4.45Å; E44-L75 HydrophobicContact CG-CD2 3.31Å; L53-L75 HydrophobicContact CD1-CD2 4.43Å; P59-L75 HydrophobicContact CB-CD1 4.47Å; L63-L75 HydrophobicContact CD1-CD1 3.87Å; L63-L75 HydrophobicContact CD2-CD1 4.5Å; L63-L75 HydrophobicContact CD2-CD2 4.36Å; L63-L75 HydrophobicContact CD2-CG 4.34Å; L63-L75 HydrophobicContact CG-CD1 4.28Å |
| 76 | I | 91.9 | Very high | 76.6 | Confident | 46 Ų | 46 | 75 Ų | 75 | 24% | 0.236 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129 | -176.7 | -52.9 | 173.6 | 0 | 0 | 0 | 108.5 | W6 V43 K45 H78 | W6-I76 HydrophobicContact CB-CG1 4.18Å; W6-I76 HydrophobicContact CB-CG2 4.46Å; V43-I76 PolarHBondContact N-O 2.88Å; V43-I76 PolarHBondContact O-N 3.38Å; K45-I76 HydrophobicContact CB-CD1 3.78Å; K45-I76 HydrophobicContact CD-CD1 3.77Å; K45-I76 HydrophobicContact CG-CD1 4.43Å; I76-H78 PolarHBondContact O-N 3.4Å |
| 77 | L | 91.4 | Very high | 74.5 | Confident | 12 Ų | 12 | 82.6 Ų | 82.6 | 6% | 0.063 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 104.6 | 173.4 | -172.4 | 70.2 | 0 | 0 | 0 | 109.1 | V5 W6 V7 V27 L30 I34 Y40 | V5-L77 HydrophobicContact CG1-CB 4.23Å; W6-L77 PolarHBondContact O-N 3.37Å; V7-L77 HydrophobicContact CG1-CD2 4.34Å; V7-L77 HydrophobicContact CG2-CB 4.01Å; V7-L77 HydrophobicContact CG2-CD2 4.05Å; V27-L77 HydrophobicContact CB-CD1 4.29Å; V27-L77 HydrophobicContact CG1-CD1 4.2Å; V27-L77 HydrophobicContact CG2-CD1 3.73Å; L30-L77 HydrophobicContact CB-CD2 3.97Å; L30-L77 HydrophobicContact CD1-CD1 4.44Å; L30-L77 HydrophobicContact CD1-CD2 4.42Å; I34-L77 HydrophobicContact CD1-CD2 3.85Å; Y40-L77 HydrophobicContact CD1-CD1 4.4Å; Y40-L77 HydrophobicContact CD1-CD2 4.07Å; Y40-L77 HydrophobicContact CD1-CG 3.96Å; Y40-L77 HydrophobicContact CE1-CD2 4.39Å; Y40-L77 HydrophobicContact CG-CD1 4.39Å; Y40-L77 HydrophobicContact CG-CG 4.43Å |
| 78 | H | 88.6 | Confident | 72.3 | Confident | 96 Ų | 96 | 85.9 Ų | 85.9 | 44% | 0.444 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 135.5 | 177.9 | -167.6 | -88.1 | 0 | 0 | 0 | 110.8 | Y40 T41 V43 I76 | Y40-H78 CarbonylContact C-O 3.6Å; Y40-H78 VanDerWaalsContact CA-O 3.28Å; Y40-H78 WeakPolarHBondContact CA-O 3.19Å; T41-H78 PolarHBondContact N-O 2.8Å; T41-H78 PolarHBondContact O-N 3.41Å; V43-H78 HydrophobicContact CG2-CB 3.68Å; I76-H78 PolarHBondContact O-N 3.4Å |
| 79 | R | 85.7 | Confident | 70.2 | Confident | 85 Ų | 85 | 82.5 Ų | 82.5 | 32% | 0.321 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 117.5 | 177.5 | -175.5 | 173.8 | 160.7 | -178.4 | -8.7 | 109.7 | Y40 G81 S83 E86 | Y40-R79 HydrophobicContact CD1-CB 3.82Å; Y40-R79 HydrophobicContact CD1-CG 4.11Å; Y40-R79 HydrophobicContact CE1-CB 3.77Å; Y40-R79 HydrophobicContact CE1-CG 3.82Å; R79-G81 PolarHBondContact NE-O 3.42Å; R79-S83 VanDerWaalsContact NH2-N 3.16Å; R79-S83 PolarHBondContact NH2-OG 2.9Å; R79-E86 IonicContact CZ-OE2 2.73Å; R79-E86 IonicContact NH1-OE2 3.78Å; R79-E86 PolarHBondContact NH1-OE2 3.2Å; R79-E86 IonicContact NH2-OE2 3.34Å |
| 80 | T | 77.9 | Confident | 68.5 | Low | 84 Ų | 84 | 81.9 Ų | 81.9 | 52% | 0.515 | 47% | 0.466 | S | S | . | . | trans | -110.8 | -1.4 | -170.2 | -32.2 | 0 | 0 | 0 | 0 | 112.4 | R39 T41 | R39-T80 PolarHBondContact O-N 3.21Å; T41-T80 WeakPolarHBondContact CG2-OG1 3.4Å; T41-T80 PolarHBondContact OG1-OG1 2.82Å | ||
| 81 | G | 69.1 | Low | 66.5 | Low | 13 Ų | 13 | 89.8 Ų | 89.8 | 13% | 0.134 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -151 | 163.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R39 R79 | R39-G81 PolarHBondContact O-N 3.13Å; R79-G81 PolarHBondContact NE-O 3.42Å |
| 82 | P | 58.9 | Low | 64.6 | Low | 120 Ų | 120 | 89.2 Ų | 89.2 | 78% | 0.779 | 49% | 0.492 | S | S | * | . | trans | -65.6 | 137 | 177.9 | 27.2 | -32.8 | 0 | 0 | 0 | 110.4 | ||||
| 83 | S | 52.7 | Low | 62.4 | Low | 10 Ų | 10 | 90 Ų | 90 | 7% | 0.07 | 50% | 0.503 | C | S | . | . | trans | -76.4 | 144.3 | 171.2 | 52.2 | 0 | 0 | 0 | 0 | 108.5 | T37 R79 T85 E86 | T37-S83 WeakPolarHBondContact O-CA 3.36Å; T37-S83 WeakPolarHBondContact O-CB 3.45Å; R79-S83 VanDerWaalsContact NH2-N 3.16Å; R79-S83 PolarHBondContact NH2-OG 2.9Å; S83-T85 PolarHBondContact O-N 2.98Å; S83-T85 VanDerWaalsContact O-N 3.13Å; S83-E86 WeakPolarHBondContact OG-CB 3.28Å; S83-E86 PolarHBondContact OG-N 3.04Å | ||
| 84 | L | 51.8 | Low | 60.4 | Low | 179 Ų | 179 | 94.8 Ų | 94.8 | 94% | 0.937 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -4.5 | 177.1 | -77.6 | 166 | 0 | 0 | 0 | 112.9 | ||
| 85 | T | 47.2 | Very low | 58.3 | Low | 104 Ų | 104 | 99.3 Ų | 99.3 | 64% | 0.638 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | -5.4 | -168.4 | 52.8 | 0 | 0 | 0 | 0 | 116 | S83 | S83-T85 PolarHBondContact O-N 2.98Å; S83-T85 VanDerWaalsContact O-N 3.13Å |
| 86 | E | 39.6 | Very low | 56.2 | Low | 72 Ų | 72 | 107.6 Ų | 107.6 | 34% | 0.336 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -111.2 | 124.9 | 173 | -75.3 | 173.1 | 152.2 | 0 | 0 | 111 | R36 R79 S83 | R36-E86 IonicContact CZ-OE1 2.81Å; R36-E86 IonicContact NE-OE1 3Å; R36-E86 PolarHBondContact NE-OE1 3.4Å; R36-E86 IonicContact NE-OE2 3.76Å; R36-E86 IonicContact NH2-OE1 3.89Å; R36-E86 PolarHBondContact NH2-OE1 3.04Å; R79-E86 IonicContact CZ-OE2 2.73Å; R79-E86 IonicContact NH1-OE2 3.78Å; R79-E86 PolarHBondContact NH1-OE2 3.2Å; R79-E86 IonicContact NH2-OE2 3.34Å; S83-E86 WeakPolarHBondContact OG-CB 3.28Å; S83-E86 PolarHBondContact OG-N 3.04Å |
| 87 | R | 37.4 | Very low | 54 | Low | 235 Ų | 235 | 108.2 Ų | 108.2 | 89% | 0.887 | 61% | 0.609 | S | S | * | * | trans | -43.9 | 138.5 | 161.4 | -112.5 | 177.8 | 178.8 | 121.9 | -1.7 | 109.5 | P89 | R87-P89 WeakPolarHBondContact O-CD 3.4Š| ||
| 88 | P | 39.8 | Very low | 51.8 | Low | 118 Ų | 118 | 113.9 Ų | 113.9 | 77% | 0.766 | 65% | 0.646 | S | S | * | * | trans | -68.7 | 126.9 | -171.9 | 26.4 | -31.8 | 0 | 0 | 0 | 110.9 | S90 | P88-S90 PolarHBondContact O-N 3.45Š| ||
| 89 | P | 37.7 | Very low | 49.9 | Very low | 115 Ų | 115 | 116.7 Ų | 116.7 | 75% | 0.747 | 66% | 0.66 | S | S | * | * | trans | -71 | 119.6 | 154.2 | 29.4 | -26.8 | 0 | 0 | 0 | 107.2 | R87 E91 | R87-P89 WeakPolarHBondContact O-CD 3.4Å; P89-E91 PolarHBondContact O-N 2.79Å | ||
| 90 | S | 47 | Very low | 48.2 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 81% | 0.811 | 67% | 0.673 | S | S | * | * | trans | -63.9 | 105.4 | 170.6 | 175.1 | 0 | 0 | 0 | 0 | 108.7 | P88 | P88-S90 PolarHBondContact O-N 3.45Š| ||
| 91 | E | 42 | Very low | 46.7 | Very low | 195 Ų | 195 | 118.6 Ų | 118.6 | 91% | 0.911 | 67% | 0.672 | S | S | * | * | trans | 176.6 | 122 | 145.4 | -101.6 | 176.1 | -166.6 | 0 | 0 | 110.8 | P89 | P89-E91 PolarHBondContact O-N 2.79Š| ||
| 92 | G | 39 | Very low | 45.8 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 71% | 0.705 | S | S | * | * | trans | 141.6 | 122.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 93 | P | 41.8 | Very low | 45.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 80% | 0.799 | 70% | 0.702 | S | S | * | * | trans | -72.4 | 130.1 | 178.3 | 21.1 | -16.4 | 0 | 0 | 0 | 109.9 | L95 | P93-L95 PolarHBondContact O-N 2.94Å; P93-L95 VanDerWaalsContact O-N 3.16Å | ||
| 94 | P | 47 | Very low | 45.3 | Very low | 113 Ų | 113 | 131 Ų | 131 | 73% | 0.734 | 72% | 0.715 | S | S | * | * | trans | -71.8 | 113.3 | 178 | 27.7 | -30.6 | 0 | 0 | 0 | 109.7 | R96 | P94-R96 PolarHBondContact O-N 3.44Š| ||
| 95 | L | 46.6 | Very low | 45.4 | Very low | 184 Ų | 184 | 130.2 Ų | 130.2 | 96% | 0.963 | 71% | 0.706 | S | S | * | * | trans | -73.6 | 25.9 | 165.3 | -75.9 | 172.6 | 0 | 0 | 0 | 112.8 | P93 | P93-L95 PolarHBondContact O-N 2.94Å; P93-L95 VanDerWaalsContact O-N 3.16Å | ||
| 96 | R | 47.7 | Very low | 45.6 | Very low | 176 Ų | 176 | 128.8 Ų | 128.8 | 66% | 0.664 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -112.7 | 122 | 168.9 | -89.3 | -165.3 | 171.2 | -154.9 | -4.6 | 108.3 | P94 E99 | P94-R96 PolarHBondContact O-N 3.44Å; R96-E99 IonicContact NH1-OE1 3.05Å |
| 97 | G | 44.1 | Very low | 46.4 | Very low | 59 Ų | 59 | 126.7 Ų | 126.7 | 61% | 0.608 | 69% | 0.692 | S | S | * | * | trans | -52.6 | 162.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112 | E99 | G97-E99 PolarHBondContact O-N 3.31Š| ||
| 98 | P | 46.5 | Very low | 47 | Very low | 130 Ų | 130 | 119.5 Ų | 119.5 | 84% | 0.844 | 68% | 0.676 | S | S | * | * | trans | -53.1 | 115.7 | -165.6 | -22.9 | 31.4 | 0 | 0 | 0 | 111.3 | R100 | P98-R100 PolarHBondContact O-N 3.46Š| ||
| 99 | E | 48.5 | Very low | 47.6 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 72% | 0.724 | 67% | 0.665 | S | S | * | * | trans | -62.3 | 122.6 | 173.4 | -69.4 | -158.6 | 153.3 | 0 | 0 | 108.4 | R96 G97 G101 | R96-E99 IonicContact NH1-OE1 3.05Å; G97-E99 PolarHBondContact O-N 3.31Å; E99-G101 PolarHBondContact O-N 3.28Å | ||
| 100 | R | 50.7 | Low | 48.2 | Very low | 162 Ų | 162 | 117.3 Ų | 117.3 | 61% | 0.611 | 66% | 0.655 | S | S | * | * | trans | -66.5 | 100.9 | 177.4 | -66.2 | -170.5 | -178.2 | 174 | 0.8 | 108.1 | P98 R104 | P98-R100 PolarHBondContact O-N 3.46Å; R100-R104 HydrophobicContact CB-CB 4.03Å | ||
| 101 | G | 46.2 | Very low | 48 | Very low | 47 Ų | 47 | 115.7 Ų | 115.7 | 49% | 0.485 | 65% | 0.648 | S | S | . | * | trans | -58.2 | 166.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112 | E99 H103 R104 | E99-G101 PolarHBondContact O-N 3.28Å; G101-H103 PolarHBondContact O-N 3.3Å; G101-R104 WeakPolarHBondContact O-CB 3.47Å; G101-R104 PolarHBondContact O-N 2.94Å | ||
| 102 | L | 48.6 | Very low | 48 | Very low | 160 Ų | 160 | 115.8 Ų | 115.8 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -51.5 | -22.2 | -178.3 | -66.7 | 168.7 | 0 | 0 | 0 | 114.1 | R104 | L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.48Å |
| 103 | H | 46.6 | Very low | 48.4 | Very low | 151 Ų | 151 | 119.8 Ų | 119.8 | 70% | 0.699 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -77 | -9.8 | 177 | -124.6 | 67.8 | 0 | 0 | 0 | 114.9 | G101 | G101-H103 PolarHBondContact O-N 3.3Š|
| 104 | R | 55.1 | Low | 48.2 | Very low | 94 Ų | 94 | 124.6 Ų | 124.6 | 36% | 0.355 | 65% | 0.654 | S | S | . | * | G | 310 helix | trans | -110 | 18.4 | -168.4 | -131.8 | -167 | -169 | -103 | -0.8 | 114.5 | R100 G101 L102 L107 | R100-R104 HydrophobicContact CB-CB 4.03Å; G101-R104 WeakPolarHBondContact O-CB 3.47Å; G101-R104 PolarHBondContact O-N 2.94Å; L102-R104 VanDerWaalsContact C-N 3.32Å; L102-R104 PolarHBondContact O-N 3.48Å; R104-L107 HydrophobicContact CG-CD1 3.79Å; R104-L107 VanDerWaalsContact CZ-CD1 3.48Å; R104-L107 VanDerWaalsContact NH1-CD1 3.26Å |
| 105 | Q | 55.3 | Low | 47.9 | Very low | 161 Ų | 161 | 127.5 Ų | 127.5 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -85.2 | -13 | 178.5 | -64 | -172.2 | 10.6 | 0 | 0 | 113.3 | ||
| 106 | S | 49.8 | Very low | 47.7 | Very low | 75 Ų | 75 | 125 Ų | 125 | 52% | 0.524 | 65% | 0.652 | S | S | . | * | S | Bend | trans | -79.8 | -17.2 | 179 | 49.7 | 0 | 0 | 0 | 0 | 114.2 | ||
| 107 | L | 56.1 | Low | 47.5 | Very low | 27 Ų | 27 | 123.2 Ų | 123.2 | 14% | 0.141 | 66% | 0.655 | C | S | . | * | S | Bend | trans | -72.1 | 128.8 | -178.2 | -68.4 | 177.3 | 0 | 0 | 0 | 111.3 | R104 F260 E264 | R104-L107 HydrophobicContact CG-CD1 3.79Å; R104-L107 VanDerWaalsContact CZ-CD1 3.48Å; R104-L107 VanDerWaalsContact NH1-CD1 3.26Å; L107-F260 HydrophobicContact CD2-CZ 4.14Å; L107-E264 HydrophobicContact CD2-CG 4.24Å; L107-E264 VanDerWaalsContact CD2-OE2 3.29Å; L107-E264 WeakPolarHBondContact CD2-OE2 3.39Å |
| 108 | P | 51.6 | Low | 47.2 | Very low | 85 Ų | 85 | 128 Ų | 128 | 55% | 0.552 | 67% | 0.667 | S | S | * | * | trans | -54 | 141.4 | 163.7 | -19.4 | 29.5 | 0 | 0 | 0 | 109.4 | L110 | P108-L110 PolarHBondContact O-N 2.98Š| ||
| 109 | P | 50.8 | Low | 46.9 | Very low | 82 Ų | 82 | 125 Ų | 125 | 53% | 0.532 | 66% | 0.659 | S | S | . | * | trans | -56.1 | 113.9 | 172.5 | -21.4 | 31.3 | 0 | 0 | 0 | 108.9 | A111 K112 | P109-A111 HydrophobicContact CB-CB 3.98Å; P109-A111 PolarHBondContact O-N 2.88Å; P109-K112 PolarHBondContact O-N 2.7Å | ||
| 110 | L | 50.3 | Low | 46.6 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 55% | 0.55 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -55.8 | -0.4 | 166.7 | -67.7 | 172.8 | 0 | 0 | 0 | 112.9 | P108 K112 L113 | P108-L110 PolarHBondContact O-N 2.98Å; L110-K112 PolarHBondContact O-N 3.26Å; L110-L113 PolarHBondContact O-N 2.83Å |
| 111 | A | 43.4 | Very low | 46.1 | Very low | 81 Ų | 81 | 123 Ų | 123 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -62.9 | -16.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | P109 L113 | P109-A111 HydrophobicContact CB-CB 3.98Å; P109-A111 PolarHBondContact O-N 2.88Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 3.45Å |
| 112 | K | 43.1 | Very low | 45.6 | Very low | 197 Ų | 197 | 129.2 Ų | 129.2 | 86% | 0.857 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -78.6 | -7.7 | 176.2 | -69.4 | -171.5 | 179.9 | -179.3 | 0 | 114.8 | P109 L110 | P109-K112 PolarHBondContact O-N 2.7Å; L110-K112 PolarHBondContact O-N 3.26Å |
| 113 | L | 45.9 | Very low | 45.5 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -112.8 | 8.3 | -173.6 | -79.9 | 163.5 | 0 | 0 | 0 | 114.9 | L110 A111 | L110-L113 PolarHBondContact O-N 2.83Å; A111-L113 VanDerWaalsContact C-N 3.3Å; A111-L113 PolarHBondContact O-N 3.45Å |
| 114 | R | 37.6 | Very low | 45.2 | Very low | 224 Ų | 224 | 135.7 Ų | 135.7 | 85% | 0.845 | 70% | 0.697 | S | S | * | * | trans | -105.7 | 101.9 | 173.3 | -67.6 | -165.5 | -174.6 | 154.2 | 1.4 | 110.7 | ||||
| 115 | H | 41.1 | Very low | 44.9 | Very low | 173 Ų | 173 | 137.3 Ų | 137.3 | 80% | 0.801 | 71% | 0.708 | S | S | * | * | trans | -63.9 | 140.3 | 154 | -86.8 | -75 | 0 | 0 | 0 | 108.7 | N117 | H115-N117 PolarHBondContact O-N 3.35Š| ||
| 116 | P | 43.7 | Very low | 44.4 | Very low | 131 Ų | 131 | 135.6 Ų | 135.6 | 85% | 0.851 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -74.4 | 8.8 | -167 | 28.7 | -34.5 | 0 | 0 | 0 | 114.8 | ||
| 117 | N | 42.3 | Very low | 44 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 74% | 0.743 | 73% | 0.728 | S | S | * | * | trans | -148.4 | 91.7 | -178.4 | -158.9 | 38.7 | 0 | 0 | 0 | 110.1 | H115 | H115-N117 PolarHBondContact O-N 3.35Š| ||
| 118 | D | 37.6 | Very low | 43.7 | Very low | 161 Ų | 161 | 153.1 Ų | 153.1 | 86% | 0.861 | 76% | 0.764 | S | S | * | * | trans | -152.6 | 115 | 147.9 | -98.1 | -31.7 | 0 | 0 | 0 | 109.1 | ||||
| 119 | G | 40.3 | Very low | 43.7 | Very low | 65 Ų | 65 | 158.8 Ų | 158.8 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 154.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | L121 | G119-L121 PolarHBondContact O-N 2.82Š| ||
| 120 | S | 43.5 | Very low | 43.3 | Very low | 112 Ų | 112 | 159.8 Ų | 159.8 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -26.3 | 116.8 | 169.3 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 121 | L | 40.3 | Very low | 43 | Very low | 164 Ų | 164 | 162.3 Ų | 162.3 | 86% | 0.859 | 80% | 0.802 | S | S | * | * | trans | -158.8 | 117.5 | 141.4 | -76.7 | -169.5 | 0 | 0 | 0 | 110.3 | G119 | G119-L121 PolarHBondContact O-N 2.82Š| ||
| 122 | H | 35.5 | Very low | 43 | Very low | 178 Ų | 178 | 164.3 Ų | 164.3 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | 27.9 | 108.2 | 156.7 | -86.8 | -74.4 | 0 | 0 | 0 | 119.9 | R124 | H122-R124 PolarHBondContact O-N 3.44Š| ||
| 123 | R | 45.5 | Very low | 42.6 | Very low | 212 Ų | 212 | 163.5 Ų | 163.5 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | trans | -36.5 | 103 | 149.4 | -176.1 | -178.3 | 176.3 | 171.3 | -2.5 | 111.3 | E125 | R123-E125 HydrophobicContact CG-CG 4.3Å; R123-E125 IonicContact CZ-OE1 2.91Å; R123-E125 IonicContact NE-OE1 3.74Å; R123-E125 PolarHBondContact NE-OE1 2.98Å; R123-E125 IonicContact NH2-OE1 3.79Å; R123-E125 PolarHBondContact NH2-OE1 3.06Å | ||
| 124 | R | 40.5 | Very low | 42.6 | Very low | 234 Ų | 234 | 163 Ų | 163 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -102.1 | 103.5 | 160.1 | -116.3 | -174.9 | -179.6 | -166.7 | 2.7 | 107.2 | H122 | H122-R124 PolarHBondContact O-N 3.44Š| ||
| 125 | E | 48 | Very low | 42.6 | Very low | 128 Ų | 128 | 155 Ų | 155 | 60% | 0.598 | 79% | 0.794 | S | S | * | * | trans | -58.2 | 138.5 | 170.5 | -68.5 | 175 | 164.8 | 0 | 0 | 109.6 | R123 R127 | R123-E125 HydrophobicContact CG-CG 4.3Å; R123-E125 IonicContact CZ-OE1 2.91Å; R123-E125 IonicContact NE-OE1 3.74Å; R123-E125 PolarHBondContact NE-OE1 2.98Å; R123-E125 IonicContact NH2-OE1 3.79Å; R123-E125 PolarHBondContact NH2-OE1 3.06Å; E125-R127 PolarHBondContact O-N 3.17Å | ||
| 126 | P | 45.2 | Very low | 42.7 | Very low | 125 Ų | 125 | 151.1 Ų | 151.1 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -58.2 | 112.2 | 173.7 | -23.9 | 33.9 | 0 | 0 | 0 | 110.1 | R128 | P126-R128 PolarHBondContact O-N 3.35Š| ||
| 127 | R | 40.9 | Very low | 42.8 | Very low | 233 Ų | 233 | 151.1 Ų | 151.1 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -54.5 | 104 | 173.1 | -86.5 | -178 | 161.3 | -173.5 | -5.7 | 109.6 | E125 K129 | E125-R127 PolarHBondContact O-N 3.17Å; R127-K129 PolarHBondContact O-N 3.4Å; R127-K129 VanDerWaalsContact O-N 3.15Å | ||
| 128 | R | 50.2 | Low | 43.2 | Very low | 237 Ų | 237 | 154.5 Ų | 154.5 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | trans | -55.6 | 114 | 160.2 | -74.1 | 179.8 | 150.3 | -154.7 | -6.6 | 108.4 | P126 S130 | P126-R128 PolarHBondContact O-N 3.35Å; R128-S130 VanDerWaalsContact C-N 3.34Å; R128-S130 PolarHBondContact O-N 3.12Å; R128-S130 VanDerWaalsContact O-N 3.15Å | ||
| 129 | K | 53 | Low | 43.7 | Very low | 205 Ų | 205 | 150.6 Ų | 150.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -78.1 | 88.6 | 164.7 | -64.7 | 176.4 | -176.9 | 175.5 | 0 | 107.1 | R127 L131 | R127-K129 PolarHBondContact O-N 3.4Å; R127-K129 VanDerWaalsContact O-N 3.15Å; K129-L131 PolarHBondContact O-N 3.29Å; K129-L131 VanDerWaalsContact O-N 3.14Å | ||
| 130 | S | 42.3 | Very low | 44.5 | Very low | 103 Ų | 103 | 154.3 Ų | 154.3 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 92.5 | 165.4 | 55.2 | 0 | 0 | 0 | 0 | 108.4 | R128 T132 | R128-S130 VanDerWaalsContact C-N 3.34Å; R128-S130 PolarHBondContact O-N 3.12Å; R128-S130 VanDerWaalsContact O-N 3.15Å; S130-T132 PolarHBondContact O-N 3.03Å | ||
| 131 | L | 43.1 | Very low | 45 | Very low | 158 Ų | 158 | 158.4 Ų | 158.4 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -85.7 | 87.5 | 160.7 | -175.9 | 68.3 | 0 | 0 | 0 | 107.2 | K129 F133 | K129-L131 PolarHBondContact O-N 3.29Å; K129-L131 VanDerWaalsContact O-N 3.14Å; L131-F133 PolarHBondContact O-N 3.3Å | ||
| 132 | T | 43 | Very low | 45.6 | Very low | 123 Ų | 123 | 156.2 Ų | 156.2 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | -71.3 | 104.6 | 163.3 | 39.1 | 0 | 0 | 0 | 0 | 108.2 | S130 | S130-T132 PolarHBondContact O-N 3.03Š| ||
| 133 | F | 35.2 | Very low | 46.7 | Very low | 179 Ų | 179 | 154.4 Ų | 154.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -97.3 | 106.5 | 160.3 | -160 | -96.2 | 0 | 0 | 0 | 107.8 | L131 G135 | L131-F133 PolarHBondContact O-N 3.3Å; F133-G135 PolarHBondContact O-N 2.84Å | ||
| 134 | T | 45.2 | Very low | 47.2 | Very low | 138 Ų | 138 | 151.5 Ų | 151.5 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -70.2 | 108 | 162.8 | 40.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 135 | G | 38.1 | Very low | 47.7 | Very low | 58 Ų | 58 | 144.9 Ų | 144.9 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | trans | -174.7 | 111.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | F133 | F133-G135 PolarHBondContact O-N 2.84Š| ||
| 136 | A | 43.9 | Very low | 47.1 | Very low | 90 Ų | 90 | 142.7 Ų | 142.7 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 154.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R138 | A136-R138 PolarHBondContact O-N 2.94Š|
| 137 | P | 44.7 | Very low | 46.5 | Very low | 131 Ų | 131 | 140.4 Ų | 140.4 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 127 | -174.1 | 30.6 | -32.8 | 0 | 0 | 0 | 111 | ||
| 138 | R | 52 | Low | 46.9 | Very low | 211 Ų | 211 | 140.8 Ų | 140.8 | 80% | 0.796 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 134.9 | 166.5 | -70.7 | -174.8 | -177.1 | -111.2 | 5.2 | 110.1 | A136 E142 | A136-R138 PolarHBondContact O-N 2.94Å; R138-E142 IonicContact NH1-OE2 3.32Å; R138-E142 PolarHBondContact NH1-OE2 3.43Å |
| 139 | S | 47.3 | Very low | 46.3 | Very low | 78 Ų | 78 | 137.9 Ų | 137.9 | 55% | 0.545 | 76% | 0.764 | S | S | . | * | P | Polyproline II helix | trans | -71.2 | 139 | -179.8 | 177 | 0 | 0 | 0 | 0 | 111.8 | R141 E142 | S139-R141 PolarHBondContact O-N 3.32Å; S139-R141 PolarHBondContact OG-N 3.24Å; S139-E142 PolarHBondContact O-N 3.44Å |
| 140 | L | 56.2 | Low | 45.3 | Very low | 143 Ų | 143 | 131.5 Ų | 131.5 | 75% | 0.749 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.2 | -7.9 | 173.4 | -83 | 165.8 | 0 | 0 | 0 | 114.7 | ||
| 141 | R | 55.2 | Low | 44.8 | Very low | 198 Ų | 198 | 134 Ų | 134 | 75% | 0.747 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -27.1 | 172.4 | 165.4 | 178.7 | -89 | -120.1 | -2.2 | 113.6 | S139 | S139-R141 PolarHBondContact O-N 3.32Å; S139-R141 PolarHBondContact OG-N 3.24Å |
| 142 | E | 53.2 | Low | 44.3 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 56% | 0.556 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -76.8 | -25.4 | -177.5 | -80.4 | -173 | 160.9 | 0 | 0 | 113.5 | R138 S139 L144 | R138-E142 IonicContact NH1-OE2 3.32Å; R138-E142 PolarHBondContact NH1-OE2 3.43Å; S139-E142 PolarHBondContact O-N 3.44Å; E142-L144 VanDerWaalsContact C-N 3.33Å |
| 143 | I | 57.5 | Low | 43.6 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 71% | 0.713 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -76.5 | -23.6 | -178.6 | -59.7 | 174.7 | 0 | 0 | 0 | 111.7 | ||
| 144 | L | 55.6 | Low | 43.4 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 80% | 0.796 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -109.2 | 3.7 | -171.5 | -61.9 | 176.2 | 0 | 0 | 0 | 114.1 | E142 | E142-L144 VanDerWaalsContact C-N 3.33Š|
| 145 | S | 52.1 | Low | 42.9 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -133.1 | 78.3 | -175.9 | -63.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 146 | G | 36.3 | Very low | 42.7 | Very low | 83 Ų | 83 | 138.4 Ų | 138.4 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | 158.8 | 119.4 | 165 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 147 | G | 32.2 | Very low | 42.2 | Very low | 77 Ų | 77 | 144.8 Ų | 144.8 | 79% | 0.794 | 78% | 0.776 | S | S | * | * | cis | -168.3 | 155.6 | 3.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 148 | R | 48.4 | Very low | 41.4 | Very low | 240 Ų | 240 | 146.8 Ų | 146.8 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | trans | -77.8 | 175.7 | 171.3 | -63.4 | -173.3 | -167.9 | -133.5 | 4.6 | 110.8 | ||||
| 149 | I | 37.3 | Very low | 40.7 | Very low | 177 Ų | 177 | 144.3 Ų | 144.3 | 91% | 0.908 | 78% | 0.78 | S | S | * | * | trans | 109.5 | 126.3 | 152.5 | -53.6 | 153.2 | 0 | 0 | 0 | 111.2 | ||||
| 150 | G | 33.6 | Very low | 40 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | cis | -158.7 | -162.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 151 | D | 31 | Very low | 38.7 | Very low | 157 Ų | 157 | 145.5 Ų | 145.5 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | cis | -173.9 | 145.3 | -0.5 | -157.7 | -0.3 | 0 | 0 | 0 | 103.7 | ||||
| 152 | A | 32.8 | Very low | 37.4 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | trans | 170.9 | 80.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 153 | E | 28.4 | Very low | 36.3 | Very low | 150 Ų | 150 | 142 Ų | 142 | 70% | 0.701 | 81% | 0.81 | S | S | * | * | 13.9 | 126.6 | 128.5 | -155.2 | 151 | -158.1 | 0 | 0 | 120.4 | K155 | E153-K155 IonicContact OE1-NZ 3.51Å; E153-K155 PolarHBondContact OE1-NZ 2.92Å | |||
| 154 | G | 30.3 | Very low | 35.1 | Very low | 79 Ų | 79 | 138.4 Ų | 138.4 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -163.8 | 60.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 155 | K | 34.7 | Very low | 34 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 72% | 0.717 | 80% | 0.802 | S | S | * | * | trans | -57.2 | 130.4 | 170.6 | -72.2 | 159.9 | 178 | 143.8 | 0 | 110.9 | E153 | E153-K155 IonicContact OE1-NZ 3.51Å; E153-K155 PolarHBondContact OE1-NZ 2.92Å | ||
| 156 | R | 33.8 | Very low | 33.2 | Very low | 255 Ų | 255 | 140.2 Ų | 140.2 | 96% | 0.962 | 80% | 0.804 | S | S | * | * | -143.6 | 122.2 | 126.5 | -69.4 | -160.5 | -178.5 | -170.7 | 0.4 | 111 | |||||
| 157 | R | 32.9 | Very low | 33.1 | Very low | 225 Ų | 225 | 142.7 Ų | 142.7 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 148.1 | 175.1 | -178.9 | -172 | -63.3 | -148.2 | -1.1 | 108.8 | ||||
| 158 | L | 27.9 | Very low | 33.3 | Very low | 172 Ų | 172 | 146.7 Ų | 146.7 | 90% | 0.901 | 79% | 0.79 | S | S | * | * | trans | -166 | 99.6 | 136.2 | -99.2 | 158.9 | 0 | 0 | 0 | 109 | ||||
| 159 | L | 37.5 | Very low | 32.7 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -96.5 | 132.9 | 152.1 | -82.2 | 167.3 | 0 | 0 | 0 | 106.4 | ||||
| 160 | L | 34 | Very low | 32.7 | Very low | 177 Ų | 177 | 135 Ų | 135 | 93% | 0.927 | 78% | 0.779 | S | S | * | * | trans | -179 | 129.6 | 151 | -115.4 | 87.2 | 0 | 0 | 0 | 102.9 | ||||
| 161 | G | 27.1 | Very low | 33.5 | Very low | 69 Ų | 69 | 137.6 Ų | 137.6 | 71% | 0.711 | 78% | 0.783 | S | S | * | * | cis | 156.6 | 146.2 | 9.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 162 | S | 29.3 | Very low | 33.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | trans | 47.3 | 132.9 | 145.1 | -129.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 163 | V | 29.5 | Very low | 34.3 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | -174.3 | 136.7 | 57.4 | 172.1 | 0 | 0 | 0 | 0 | 104 | |||||
| 164 | G | 32.1 | Very low | 35.1 | Very low | 63 Ų | 63 | 135.4 Ų | 135.4 | 65% | 0.649 | 78% | 0.78 | S | S | * | * | 97.3 | 138.1 | 53.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 165 | I | 33.3 | Very low | 36.2 | Very low | 136 Ų | 136 | 139 Ų | 139 | 70% | 0.697 | 79% | 0.786 | S | S | * | * | trans | 95.5 | 97.9 | 158.4 | -57 | -172.9 | 0 | 0 | 0 | 116.3 | ||||
| 166 | H | 34.7 | Very low | 36.5 | Very low | 148 Ų | 148 | 134.9 Ų | 134.9 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 84.5 | 150.8 | 93.7 | -66.2 | -4.8 | 0 | 0 | 0 | 112.9 | |||||
| 167 | H | 34.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 62% | 0.62 | 77% | 0.766 | S | S | * | * | cis | -168.9 | 155.6 | -0.3 | -104.5 | -54 | 0 | 0 | 0 | 107.8 | ||||
| 168 | H | 36.1 | Very low | 38.6 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | 54.4 | 115.7 | 142.6 | -63.8 | -60.1 | 0 | 0 | 0 | 125.4 | ||||
| 169 | A | 34.9 | Very low | 40.1 | Very low | 94 Ų | 94 | 115.8 Ų | 115.8 | 78% | 0.777 | 74% | 0.739 | S | S | * | * | 35.7 | 112.8 | 114.3 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 170 | G | 37.1 | Very low | 40.9 | Very low | 77 Ų | 77 | 113.8 Ų | 113.8 | 79% | 0.794 | 73% | 0.729 | S | S | * | * | trans | 66.4 | 162.6 | 142 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 171 | P | 51.2 | Low | 42 | Very low | 125 Ų | 125 | 115.4 Ų | 115.4 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | cis | -137.3 | -179.3 | 0.7 | 39.9 | -20.1 | 0 | 0 | 0 | 115.5 | ||||
| 172 | A | 38.9 | Very low | 43.6 | Very low | 82 Ų | 82 | 115.6 Ų | 115.6 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | 58.5 | 120.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 173 | F | 42.4 | Very low | 45.3 | Very low | 212 Ų | 212 | 112.8 Ų | 112.8 | 93% | 0.93 | 69% | 0.69 | S | S | * | * | trans | 53.7 | 128.7 | 145 | -73.3 | -84.6 | 0 | 0 | 0 | 121.2 | ||||
| 174 | G | 44.8 | Very low | 47.3 | Very low | 65 Ų | 65 | 112.5 Ų | 112.5 | 67% | 0.67 | 68% | 0.681 | S | S | * | * | trans | 101.3 | 99.6 | 147.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 175 | T | 54 | Low | 49.3 | Very low | 154 Ų | 154 | 115.3 Ų | 115.3 | 95% | 0.945 | 68% | 0.678 | S | S | * | * | trans | 53.6 | 99.1 | 143.7 | -23.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 176 | A | 40.1 | Very low | 51.6 | Low | 80 Ų | 80 | 113.9 Ų | 113.9 | 66% | 0.661 | 67% | 0.669 | S | S | * | * | trans | -132.3 | 154.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L180 | A176-L180 HydrophobicContact CB-CD1 4.45Š| ||
| 177 | P | 52.7 | Low | 54 | Low | 92 Ų | 92 | 110.7 Ų | 110.7 | 60% | 0.597 | 66% | 0.656 | S | S | * | * | trans | -89.9 | 174.5 | -150.4 | 37 | -35.5 | 0 | 0 | 0 | 114.5 | G179 | P177-G179 PolarHBondContact O-N 3.29Š| ||
| 178 | P | 58.4 | Low | 56.5 | Low | 114 Ų | 114 | 107.8 Ų | 107.8 | 74% | 0.74 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -11.7 | -169.2 | -25.1 | 34.4 | 0 | 0 | 0 | 117.6 | ||
| 179 | G | 58.4 | Low | 59 | Low | 44 Ų | 44 | 104.4 Ų | 104.4 | 45% | 0.454 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -81.6 | -9.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | P177 T182 | P177-G179 PolarHBondContact O-N 3.29Å; G179-T182 PolarHBondContact O-OG1 3.02Å |
| 180 | L | 56.2 | Low | 61.5 | Low | 119 Ų | 119 | 107.1 Ų | 107.1 | 62% | 0.623 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -85.2 | -27.1 | 175.5 | -92 | 147.6 | 0 | 0 | 0 | 112.7 | A176 H184 | A176-L180 HydrophobicContact CB-CD1 4.45Å; L180-H184 PolarHBondContact O-N 3.02Å |
| 181 | W | 56.3 | Low | 64.1 | Low | 210 Ų | 210 | 107.5 Ų | 107.5 | 80% | 0.795 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -71.6 | -34.1 | 176.7 | -76.9 | 69.2 | 0 | 0 | 0 | 112 | H184 M185 | W181-H184 PolarHBondContact O-N 2.96Å; W181-M185 VanDerWaalsContact O-CB 3.28Å; W181-M185 WeakPolarHBondContact O-CB 3.38Å; W181-M185 PolarHBondContact O-N 3.38Å |
| 182 | T | 61.2 | Low | 66 | Low | 73 Ų | 73 | 105.7 Ų | 105.7 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -64.2 | -41.6 | 175.3 | 44.6 | 0 | 0 | 0 | 0 | 111.5 | G179 M185 E186 | G179-T182 PolarHBondContact O-OG1 3.02Å; T182-M185 PolarHBondContact O-N 3.38Å; T182-E186 WeakPolarHBondContact O-CB 3.33Å; T182-E186 VanDerWaalsContact O-CG 3.25Å; T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.97Å |
| 183 | C | 63.9 | Low | 68.4 | Low | 64 Ų | 64 | 104.3 Ų | 104.3 | 43% | 0.432 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67 | -41.2 | 177.4 | -62.3 | 0 | 0 | 0 | 0 | 112.8 | M185 E186 D187 | C183-M185 VanDerWaalsContact C-N 3.33Å; C183-M185 PolarHBondContact O-N 2.98Å; C183-E186 PolarHBondContact O-N 2.65Å; C183-D187 PolarHBondContact O-N 3.3Å |
| 184 | H | 72.6 | Confident | 70.8 | Confident | 116 Ų | 116 | 98.6 Ų | 98.6 | 54% | 0.537 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -36.9 | 175.2 | -177.2 | 58.1 | 0 | 0 | 0 | 112.3 | L180 W181 D187 L188 | L180-H184 PolarHBondContact O-N 3.02Å; W181-H184 PolarHBondContact O-N 2.96Å; H184-D187 PolarHBondContact O-N 3.15Å; H184-L188 WeakPolarHBondContact O-CG 3.34Å; H184-L188 PolarHBondContact O-N 2.99Å |
| 185 | M | 74.4 | Confident | 73 | Confident | 121 Ų | 121 | 100.3 Ų | 100.3 | 60% | 0.596 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -65.9 | -40.2 | 174.7 | -170 | 64.2 | 161.9 | 0 | 0 | 111.5 | W181 T182 C183 L188 V189 | W181-M185 VanDerWaalsContact O-CB 3.28Å; W181-M185 WeakPolarHBondContact O-CB 3.38Å; W181-M185 PolarHBondContact O-N 3.38Å; T182-M185 PolarHBondContact O-N 3.38Å; C183-M185 VanDerWaalsContact C-N 3.33Å; C183-M185 PolarHBondContact O-N 2.98Å; M185-L188 PolarHBondContact O-N 2.83Å; M185-V189 WeakPolarHBondContact O-CB 3.42Å; M185-V189 VanDerWaalsContact O-CG2 3.24Å; M185-V189 WeakPolarHBondContact O-CG2 3.31Å; M185-V189 PolarHBondContact O-N 3.5Å |
| 186 | E | 81.7 | Confident | 74.8 | Confident | 107 Ų | 107 | 102.3 Ų | 102.3 | 50% | 0.5 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 173.8 | -73.3 | 165.2 | -162.9 | 0 | 0 | 112.3 | T182 C183 V189 R190 | T182-E186 WeakPolarHBondContact O-CB 3.33Å; T182-E186 VanDerWaalsContact O-CG 3.25Å; T182-E186 WeakPolarHBondContact O-CG 3.49Å; T182-E186 PolarHBondContact O-N 2.97Å; C183-E186 PolarHBondContact O-N 2.65Å; E186-V189 PolarHBondContact O-N 2.98Å; E186-R190 WeakPolarHBondContact O-CB 3.49Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 2.85Å |
| 187 | D | 83.4 | Confident | 77.4 | Confident | 80 Ų | 80 | 104.1 Ų | 104.1 | 43% | 0.428 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.3 | -40.5 | 173.5 | -73.5 | -21.2 | 0 | 0 | 0 | 112.8 | C183 H184 R190 L191 | C183-D187 PolarHBondContact O-N 3.3Å; H184-D187 PolarHBondContact O-N 3.15Å; D187-R190 PolarHBondContact O-N 3.18Å; D187-R190 IonicContact OD1-CZ 3.33Å; D187-R190 VanDerWaalsContact OD1-CZ 3.27Å; D187-R190 IonicContact OD1-NE 3.39Å; D187-R190 PolarHBondContact OD1-NE 3.49Å; D187-R190 IonicContact OD1-NH2 2.66Å; D187-R190 PolarHBondContact OD1-NH2 2.93Å; D187-L191 WeakPolarHBondContact O-CB 3.41Å; D187-L191 PolarHBondContact O-N 3.44Å |
| 188 | L | 87.3 | Confident | 79.3 | Confident | 74 Ų | 74 | 103.2 Ų | 103.2 | 39% | 0.387 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.5 | -42.1 | 173.9 | -74.4 | 171.6 | 0 | 0 | 0 | 111.5 | H184 M185 R190 L191 V192 | H184-L188 WeakPolarHBondContact O-CG 3.34Å; H184-L188 PolarHBondContact O-N 2.99Å; M185-L188 PolarHBondContact O-N 2.83Å; L188-R190 VanDerWaalsContact C-N 3.32Å; L188-R190 PolarHBondContact O-N 3.38Å; L188-L191 PolarHBondContact O-N 2.83Å; L188-V192 WeakPolarHBondContact O-CB 3.44Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 2.89Å |
| 189 | V | 89.3 | Confident | 81 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -42 | 174.6 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | M185 E186 V192 S193 | M185-V189 WeakPolarHBondContact O-CB 3.42Å; M185-V189 VanDerWaalsContact O-CG2 3.24Å; M185-V189 WeakPolarHBondContact O-CG2 3.31Å; M185-V189 PolarHBondContact O-N 3.5Å; E186-V189 PolarHBondContact O-N 2.98Å; V189-V192 PolarHBondContact O-N 3.38Å; V189-S193 WeakPolarHBondContact O-CB 3.34Å; V189-S193 PolarHBondContact O-N 3.4Å; V189-S193 PolarHBondContact O-OG 3.34Å |
| 190 | R | 88.3 | Confident | 82.7 | Confident | 150 Ų | 150 | 103.9 Ų | 103.9 | 57% | 0.566 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 173.5 | -77.3 | -172.6 | -77.7 | -164 | -6.8 | 112.8 | E186 D187 L188 S193 L194 | E186-R190 WeakPolarHBondContact O-CB 3.49Å; E186-R190 VanDerWaalsContact O-CG 3.3Å; E186-R190 WeakPolarHBondContact O-CG 3.47Å; E186-R190 PolarHBondContact O-N 2.85Å; D187-R190 PolarHBondContact O-N 3.18Å; D187-R190 IonicContact OD1-CZ 3.33Å; D187-R190 VanDerWaalsContact OD1-CZ 3.27Å; D187-R190 IonicContact OD1-NE 3.39Å; D187-R190 PolarHBondContact OD1-NE 3.49Å; D187-R190 IonicContact OD1-NH2 2.66Å; D187-R190 PolarHBondContact OD1-NH2 2.93Å; L188-R190 VanDerWaalsContact C-N 3.32Å; L188-R190 PolarHBondContact O-N 3.38Å; R190-S193 WeakPolarHBondContact CA-OG 3.36Å; R190-S193 PolarHBondContact O-OG 2.93Å; R190-L194 WeakPolarHBondContact O-CB 3.46Å; R190-L194 PolarHBondContact O-N 2.9Å |
| 191 | L | 90.5 | Very high | 84.6 | Confident | 85 Ų | 85 | 101.8 Ų | 101.8 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.6 | -41.4 | 177.1 | -174.7 | 63.2 | 0 | 0 | 0 | 111.3 | D187 L188 S193 L194 Q195 | D187-L191 WeakPolarHBondContact O-CB 3.41Å; D187-L191 PolarHBondContact O-N 3.44Å; L188-L191 PolarHBondContact O-N 2.83Å; L191-S193 VanDerWaalsContact C-N 3.35Å; L191-L194 PolarHBondContact O-N 3.4Å; L191-Q195 WeakPolarHBondContact O-CB 3.48Å; L191-Q195 VanDerWaalsContact O-CG 3.28Å; L191-Q195 WeakPolarHBondContact O-CG 3.36Å; L191-Q195 PolarHBondContact O-N 3.16Å |
| 192 | V | 92.3 | Very high | 86.4 | Confident | 87 Ų | 87 | 96.5 Ų | 96.5 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66 | -38.7 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 110.7 | L188 V189 Q195 R196 | L188-V192 WeakPolarHBondContact O-CB 3.44Å; L188-V192 VanDerWaalsContact O-CG2 3.25Å; L188-V192 WeakPolarHBondContact O-CG2 3.38Å; L188-V192 PolarHBondContact O-N 2.89Å; V189-V192 PolarHBondContact O-N 3.38Å; V192-Q195 PolarHBondContact O-N 2.97Å; V192-R196 VanDerWaalsContact O-CB 3.29Å; V192-R196 WeakPolarHBondContact O-CB 3.27Å; V192-R196 PolarHBondContact O-N 2.86Å |
| 193 | S | 88.5 | Confident | 88 | Confident | 53 Ų | 53 | 98.1 Ų | 98.1 | 37% | 0.371 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.3 | -42.5 | 173.4 | 65.9 | 0 | 0 | 0 | 0 | 111.5 | V189 R190 L191 R196 E197 | V189-S193 WeakPolarHBondContact O-CB 3.34Å; V189-S193 PolarHBondContact O-N 3.4Å; V189-S193 PolarHBondContact O-OG 3.34Å; R190-S193 WeakPolarHBondContact CA-OG 3.36Å; R190-S193 PolarHBondContact O-OG 2.93Å; L191-S193 VanDerWaalsContact C-N 3.35Å; S193-R196 PolarHBondContact O-N 3.22Å; S193-E197 WeakPolarHBondContact O-CG 3.4Å; S193-E197 PolarHBondContact O-N 2.88Å |
| 194 | L | 92.4 | Very high | 89.5 | Confident | 92 Ų | 92 | 101 Ų | 101 | 48% | 0.482 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -42.6 | 175.2 | -175.1 | 69.1 | 0 | 0 | 0 | 111.9 | R190 L191 R196 E197 T198 | R190-L194 WeakPolarHBondContact O-CB 3.46Å; R190-L194 PolarHBondContact O-N 2.9Å; L191-L194 PolarHBondContact O-N 3.4Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 2.84Å; L194-E197 PolarHBondContact O-N 3.32Å; L194-T198 WeakPolarHBondContact O-CG2 3.16Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.43Å |
| 195 | Q | 92.1 | Very high | 90.6 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.8 | -78 | 177.5 | -17 | 0 | 0 | 111 | L191 V192 E197 T198 L199 | L191-Q195 WeakPolarHBondContact O-CB 3.48Å; L191-Q195 VanDerWaalsContact O-CG 3.28Å; L191-Q195 WeakPolarHBondContact O-CG 3.36Å; L191-Q195 PolarHBondContact O-N 3.16Å; V192-Q195 PolarHBondContact O-N 2.97Å; Q195-E197 VanDerWaalsContact C-N 3.34Å; Q195-E197 PolarHBondContact O-N 3.35Å; Q195-T198 WeakPolarHBondContact CA-OG1 3.36Å; Q195-T198 PolarHBondContact O-N 2.98Å; Q195-T198 PolarHBondContact O-OG1 2.91Å; Q195-L199 WeakPolarHBondContact O-CB 3.44Å; Q195-L199 PolarHBondContact O-N 2.86Å |
| 196 | R | 92 | Very high | 91.5 | Very high | 197 Ų | 197 | 99.9 Ų | 99.9 | 74% | 0.743 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.5 | -38.8 | 175.7 | -172.4 | 168.9 | -175.9 | -122.6 | -0.9 | 112.4 | V192 S193 L194 N200 | V192-R196 VanDerWaalsContact O-CB 3.29Å; V192-R196 WeakPolarHBondContact O-CB 3.27Å; V192-R196 PolarHBondContact O-N 2.86Å; S193-R196 PolarHBondContact O-N 3.22Å; L194-R196 VanDerWaalsContact C-N 3.33Å; L194-R196 PolarHBondContact O-N 2.84Å; R196-N200 VanDerWaalsContact O-CB 3.32Å; R196-N200 WeakPolarHBondContact O-CB 3.21Å; R196-N200 PolarHBondContact O-N 2.86Å |
| 197 | E | 93.9 | Very high | 92.1 | Very high | 117 Ų | 117 | 100.4 Ų | 100.4 | 55% | 0.547 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 173.4 | -73.5 | 168.2 | -165.9 | 0 | 0 | 111.7 | S193 L194 Q195 N200 V201 | S193-E197 WeakPolarHBondContact O-CG 3.4Å; S193-E197 PolarHBondContact O-N 2.88Å; L194-E197 PolarHBondContact O-N 3.32Å; Q195-E197 VanDerWaalsContact C-N 3.34Å; Q195-E197 PolarHBondContact O-N 3.35Å; E197-N200 PolarHBondContact O-N 3.34Å; E197-V201 WeakPolarHBondContact O-CG2 3.4Å; E197-V201 PolarHBondContact O-N 3.38Å |
| 198 | T | 92.6 | Very high | 92.6 | Very high | 73 Ų | 73 | 98.9 Ų | 98.9 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 178.2 | 63.3 | 0 | 0 | 0 | 0 | 112.3 | L194 Q195 V201 L202 | L194-T198 WeakPolarHBondContact O-CG2 3.16Å; L194-T198 PolarHBondContact O-N 2.9Å; L194-T198 PolarHBondContact O-OG1 3.43Å; Q195-T198 WeakPolarHBondContact CA-OG1 3.36Å; Q195-T198 PolarHBondContact O-N 2.98Å; Q195-T198 PolarHBondContact O-OG1 2.91Å; T198-V201 PolarHBondContact O-N 3.41Å; T198-L202 WeakPolarHBondContact O-CG 3.36Å; T198-L202 PolarHBondContact O-N 2.79Å |
| 199 | L | 94.8 | Very high | 92.7 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.3 | -82.8 | 167.9 | 0 | 0 | 0 | 111.1 | Q195 V201 L202 E203 | Q195-L199 WeakPolarHBondContact O-CB 3.44Å; Q195-L199 PolarHBondContact O-N 2.86Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 PolarHBondContact O-N 2.83Å; L199-L202 CarbonylContact O-C 3.56Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L199-E203 WeakPolarHBondContact O-CB 3.44Å; L199-E203 WeakPolarHBondContact O-CG 3.42Å; L199-E203 PolarHBondContact O-N 3.46Å |
| 200 | N | 94.2 | Very high | 92.9 | Very high | 73 Ų | 73 | 102.8 Ų | 102.8 | 39% | 0.39 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -36.4 | 177.4 | -169 | -7.7 | 0 | 0 | 0 | 112.3 | R196 E197 K204 | R196-N200 VanDerWaalsContact O-CB 3.32Å; R196-N200 WeakPolarHBondContact O-CB 3.21Å; R196-N200 PolarHBondContact O-N 2.86Å; E197-N200 PolarHBondContact O-N 3.34Å; N200-K204 WeakPolarHBondContact O-CB 3.41Å; N200-K204 VanDerWaalsContact O-CG 3.3Å; N200-K204 WeakPolarHBondContact O-CG 3.26Å; N200-K204 PolarHBondContact O-N 2.93Å; N200-K204 VanDerWaalsContact OD1-CE 3.26Å; N200-K204 WeakPolarHBondContact OD1-CE 3.41Å |
| 201 | V | 95.2 | Very high | 92.7 | Very high | 76 Ų | 76 | 98 Ų | 98 | 46% | 0.461 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 173.2 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | E197 T198 L199 K205 | E197-V201 WeakPolarHBondContact O-CG2 3.4Å; E197-V201 PolarHBondContact O-N 3.38Å; T198-V201 PolarHBondContact O-N 3.41Å; L199-V201 VanDerWaalsContact C-N 3.3Å; L199-V201 PolarHBondContact O-N 2.83Å; V201-K205 HydrophobicContact CG1-CD 4.49Å; V201-K205 WeakPolarHBondContact O-CG 3.34Å; V201-K205 PolarHBondContact O-N 3.08Å; V201-K205 VanDerWaalsContact O-N 3.08Å |
| 202 | L | 94.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 99.1 Ų | 99.1 | 52% | 0.518 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 176.7 | -69.7 | 175.2 | 0 | 0 | 0 | 112 | T198 L199 K205 L206 | T198-L202 WeakPolarHBondContact O-CG 3.36Å; T198-L202 PolarHBondContact O-N 2.79Å; L199-L202 CarbonylContact O-C 3.56Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-L202 VanDerWaalsContact O-N 3.07Å; L202-K205 PolarHBondContact O-N 3.28Å; L202-L206 WeakPolarHBondContact O-CG 3.33Å; L202-L206 PolarHBondContact O-N 3.35Å |
| 203 | E | 95.1 | Very high | 92 | Very high | 107 Ų | 107 | 100.7 Ų | 100.7 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.1 | -49.9 | 172.3 | -76.8 | 171.7 | 172.2 | 0 | 0 | 110.3 | L199 K205 L206 E207 | L199-E203 WeakPolarHBondContact O-CB 3.44Å; L199-E203 WeakPolarHBondContact O-CG 3.42Å; L199-E203 PolarHBondContact O-N 3.46Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.38Å; E203-L206 CarbonylContact O-C 3.43Å; E203-L206 WeakPolarHBondContact O-CB 3.47Å; E203-L206 PolarHBondContact O-N 2.9Å; E203-L206 VanDerWaalsContact O-N 3.13Å; E203-E207 WeakPolarHBondContact O-CB 3.36Å; E203-E207 VanDerWaalsContact O-CG 3.32Å; E203-E207 WeakPolarHBondContact O-CG 3.48Å; E203-E207 PolarHBondContact O-N 3.48Å |
| 204 | K | 95.3 | Very high | 91.4 | Very high | 125 Ų | 125 | 103 Ų | 103 | 54% | 0.543 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.5 | -33.7 | 175.6 | -72.9 | 174.3 | -179.3 | 174.5 | 0 | 114.1 | N200 A208 | N200-K204 WeakPolarHBondContact O-CB 3.41Å; N200-K204 VanDerWaalsContact O-CG 3.3Å; N200-K204 WeakPolarHBondContact O-CG 3.26Å; N200-K204 PolarHBondContact O-N 2.93Å; N200-K204 VanDerWaalsContact OD1-CE 3.26Å; N200-K204 WeakPolarHBondContact OD1-CE 3.41Å; K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 3.44Å |
| 205 | K | 94.8 | Very high | 90.6 | Very high | 112 Ų | 112 | 101.3 Ų | 101.3 | 49% | 0.487 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -72.1 | -39 | 175.1 | -77 | 178.2 | -179.7 | -178.3 | 0 | 111.6 | V201 L202 E203 A208 Y209 | V201-K205 HydrophobicContact CG1-CD 4.49Å; V201-K205 WeakPolarHBondContact O-CG 3.34Å; V201-K205 PolarHBondContact O-N 3.08Å; V201-K205 VanDerWaalsContact O-N 3.08Å; L202-K205 PolarHBondContact O-N 3.28Å; E203-K205 VanDerWaalsContact C-N 3.3Å; E203-K205 PolarHBondContact O-N 3.38Å; K205-A208 PolarHBondContact O-N 2.89Å; K205-Y209 WeakPolarHBondContact O-CD2 3.18Å; K205-Y209 PolarHBondContact O-N 2.93Å |
| 206 | L | 94.3 | Very high | 89.5 | Confident | 100 Ų | 100 | 104.9 Ų | 104.9 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 172.6 | -75.2 | 170.8 | 0 | 0 | 0 | 110.3 | L202 E203 A208 Y209 E210 | L202-L206 WeakPolarHBondContact O-CG 3.33Å; L202-L206 PolarHBondContact O-N 3.35Å; E203-L206 CarbonylContact O-C 3.43Å; E203-L206 WeakPolarHBondContact O-CB 3.47Å; E203-L206 PolarHBondContact O-N 2.9Å; E203-L206 VanDerWaalsContact O-N 3.13Å; L206-A208 VanDerWaalsContact C-N 3.26Å; L206-A208 PolarHBondContact O-N 3.09Å; L206-Y209 CarbonylContact O-C 3.46Å; L206-Y209 PolarHBondContact O-N 2.8Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; L206-E210 VanDerWaalsContact O-CB 3.27Å; L206-E210 WeakPolarHBondContact O-CB 3.36Å; L206-E210 VanDerWaalsContact O-CG 3.26Å; L206-E210 WeakPolarHBondContact O-CG 3.48Å; L206-E210 PolarHBondContact O-N 3.39Å |
| 207 | E | 94.8 | Very high | 88.2 | Confident | 119 Ų | 119 | 98.6 Ų | 98.6 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -57.5 | -38.3 | 172.4 | -71.4 | 170.2 | 178.8 | 0 | 0 | 111.8 | E203 A211 | E203-E207 WeakPolarHBondContact O-CB 3.36Å; E203-E207 VanDerWaalsContact O-CG 3.32Å; E203-E207 WeakPolarHBondContact O-CG 3.48Å; E203-E207 PolarHBondContact O-N 3.48Å; E207-A211 WeakPolarHBondContact O-CB 3.31Å; E207-A211 PolarHBondContact O-N 2.67Å |
| 208 | A | 92.9 | Very high | 86.4 | Confident | 48 Ų | 48 | 98.6 Ų | 98.6 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.8 | -43 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K204 K205 L206 A211 E212 | K204-A208 WeakPolarHBondContact O-CB 3.42Å; K204-A208 PolarHBondContact O-N 3.44Å; K205-A208 PolarHBondContact O-N 2.89Å; L206-A208 VanDerWaalsContact C-N 3.26Å; L206-A208 PolarHBondContact O-N 3.09Å; A208-A211 PolarHBondContact O-N 2.96Å; A208-E212 WeakPolarHBondContact O-CB 3.46Å; A208-E212 WeakPolarHBondContact O-CG 3.3Å; A208-E212 PolarHBondContact O-N 3.34Å |
| 209 | Y | 90.2 | Very high | 84.7 | Confident | 139 Ų | 139 | 97.9 Ų | 97.9 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.1 | -35.7 | 174.3 | -69.3 | -49.2 | 0 | 0 | 0 | 112.2 | K205 L206 E212 L213 | K205-Y209 WeakPolarHBondContact O-CD2 3.18Å; K205-Y209 PolarHBondContact O-N 2.93Å; L206-Y209 CarbonylContact O-C 3.46Å; L206-Y209 PolarHBondContact O-N 2.8Å; L206-Y209 VanDerWaalsContact O-N 3.17Å; Y209-E212 PolarHBondContact O-N 2.66Å; Y209-L213 VanDerWaalsContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CB 3.32Å; Y209-L213 WeakPolarHBondContact O-CG 3.43Å; Y209-L213 PolarHBondContact O-N 3.1Å |
| 210 | E | 92.3 | Very high | 82.7 | Confident | 107 Ų | 107 | 101.4 Ų | 101.4 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 172.2 | -75.9 | 176.7 | -174.1 | 0 | 0 | 110.4 | L206 L213 Q214 | L206-E210 VanDerWaalsContact O-CB 3.27Å; L206-E210 WeakPolarHBondContact O-CB 3.36Å; L206-E210 VanDerWaalsContact O-CG 3.26Å; L206-E210 WeakPolarHBondContact O-CG 3.48Å; L206-E210 PolarHBondContact O-N 3.39Å; E210-L213 PolarHBondContact O-N 2.97Å; E210-Q214 WeakPolarHBondContact O-CB 3.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.2Å |
| 211 | A | 85.5 | Confident | 80.7 | Confident | 50 Ų | 50 | 100.6 Ų | 100.6 | 41% | 0.413 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.7 | -35.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E207 A208 Q214 A215 | E207-A211 WeakPolarHBondContact O-CB 3.31Å; E207-A211 PolarHBondContact O-N 2.67Å; A208-A211 PolarHBondContact O-N 2.96Å; A211-Q214 CarbonylContact O-C 3.05Å; A211-A215 VanDerWaalsContact O-CB 3.24Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.91Å |
| 212 | E | 85.8 | Confident | 78.3 | Confident | 108 Ų | 108 | 99.6 Ų | 99.6 | 51% | 0.505 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.5 | -46.8 | 172.1 | -78.3 | 179 | -172 | 0 | 0 | 110.7 | A208 Y209 Q214 A215 W216 | A208-E212 WeakPolarHBondContact O-CB 3.46Å; A208-E212 WeakPolarHBondContact O-CG 3.3Å; A208-E212 PolarHBondContact O-N 3.34Å; Y209-E212 PolarHBondContact O-N 2.66Å; E212-Q214 VanDerWaalsContact C-N 3.29Å; E212-Q214 PolarHBondContact O-N 3.44Å; E212-A215 CarbonylContact O-C 3.59Å; E212-A215 PolarHBondContact O-N 3.44Å; E212-A215 VanDerWaalsContact O-N 3.1Å; E212-W216 WeakPolarHBondContact O-CB 3.44Å; E212-W216 PolarHBondContact O-N 3.04Å |
| 213 | L | 80.4 | Confident | 76.2 | Confident | 119 Ų | 119 | 106.4 Ų | 106.4 | 62% | 0.623 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62 | -38.7 | 175.1 | -75.1 | 168.2 | 0 | 0 | 0 | 111.6 | Y209 E210 W216 S217 | Y209-L213 VanDerWaalsContact O-CB 3.3Å; Y209-L213 WeakPolarHBondContact O-CB 3.32Å; Y209-L213 WeakPolarHBondContact O-CG 3.43Å; Y209-L213 PolarHBondContact O-N 3.1Å; E210-L213 PolarHBondContact O-N 2.97Å; L213-W216 CarbonylContact O-C 3.58Å; L213-W216 PolarHBondContact O-N 3.17Å; L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-N 3.03Å; L213-S217 PolarHBondContact O-OG 3.32Å |
| 214 | Q | 77.3 | Confident | 73.7 | Confident | 103 Ų | 103 | 104.1 Ų | 104.1 | 48% | 0.481 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66.2 | -40.1 | 171.1 | -75.3 | 168.8 | 4.5 | 0 | 0 | 110.8 | E210 A211 E212 W216 S217 E218 | E210-Q214 WeakPolarHBondContact O-CB 3.36Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.2Å; A211-Q214 CarbonylContact O-C 3.05Å; E212-Q214 VanDerWaalsContact C-N 3.29Å; E212-Q214 PolarHBondContact O-N 3.44Å; Q214-W216 VanDerWaalsContact C-N 3.32Å; Q214-W216 PolarHBondContact O-N 2.89Å; Q214-S217 WeakPolarHBondContact CA-OG 3.41Å; Q214-S217 CarbonylContact O-C 3.58Å; Q214-S217 WeakPolarHBondContact O-CA 3.43Å; Q214-S217 PolarHBondContact O-N 3.27Å; Q214-S217 PolarHBondContact O-OG 2.8Å; Q214-E218 WeakPolarHBondContact O-CA 3.43Å; Q214-E218 WeakPolarHBondContact O-CB 3.44Å; Q214-E218 VanDerWaalsContact O-CG 3.25Å; Q214-E218 WeakPolarHBondContact O-CG 3.24Å; Q214-E218 PolarHBondContact O-N 3Å |
| 215 | A | 74.9 | Confident | 71.4 | Confident | 55 Ų | 55 | 104 Ų | 104 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -30.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | A211 E212 S217 G219 | A211-A215 VanDerWaalsContact O-CB 3.24Å; A211-A215 WeakPolarHBondContact O-CB 3.47Å; A211-A215 PolarHBondContact O-N 2.91Å; E212-A215 CarbonylContact O-C 3.59Å; E212-A215 PolarHBondContact O-N 3.44Å; E212-A215 VanDerWaalsContact O-N 3.1Å; A215-S217 VanDerWaalsContact C-N 3.28Å; A215-G219 WeakPolarHBondContact O-CA 3.33Å; A215-G219 PolarHBondContact O-N 3.32Å |
| 216 | W | 68.9 | Low | 69 | Low | 177 Ų | 177 | 101.2 Ų | 101.2 | 67% | 0.67 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.6 | -18.4 | 170.1 | -72.1 | 115.1 | 0 | 0 | 0 | 112.8 | E212 L213 Q214 R220 | E212-W216 WeakPolarHBondContact O-CB 3.44Å; E212-W216 PolarHBondContact O-N 3.04Å; L213-W216 CarbonylContact O-C 3.58Å; L213-W216 PolarHBondContact O-N 3.17Å; Q214-W216 VanDerWaalsContact C-N 3.32Å; Q214-W216 PolarHBondContact O-N 2.89Å; W216-R220 WeakPolarHBondContact O-CB 3.5Å; W216-R220 PolarHBondContact O-NE 3.39Å |
| 217 | S | 64.6 | Low | 66.1 | Low | 64 Ų | 64 | 102.1 Ų | 102.1 | 45% | 0.448 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -98 | -28.6 | 175.5 | 80 | 0 | 0 | 0 | 0 | 113 | L213 Q214 A215 R220 G221 | L213-S217 WeakPolarHBondContact O-CB 3.41Å; L213-S217 PolarHBondContact O-N 3.03Å; L213-S217 PolarHBondContact O-OG 3.32Å; Q214-S217 WeakPolarHBondContact CA-OG 3.41Å; Q214-S217 CarbonylContact O-C 3.58Å; Q214-S217 WeakPolarHBondContact O-CA 3.43Å; Q214-S217 PolarHBondContact O-N 3.27Å; Q214-S217 PolarHBondContact O-OG 2.8Å; A215-S217 VanDerWaalsContact C-N 3.28Å; S217-R220 CarbonylContact O-C 3.53Å; S217-R220 VanDerWaalsContact O-CA 3.3Å; S217-R220 WeakPolarHBondContact O-CA 3.48Å; S217-R220 WeakPolarHBondContact O-CB 3.41Å; S217-R220 PolarHBondContact O-N 2.92Å; S217-G221 VanDerWaalsContact O-CA 3.26Å; S217-G221 WeakPolarHBondContact O-CA 3.4Å; S217-G221 PolarHBondContact O-N 3.34Å |
| 218 | E | 57 | Low | 63.6 | Low | 118 Ų | 118 | 102.3 Ų | 102.3 | 55% | 0.551 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -91.3 | -35.2 | 176.4 | -71.2 | -179.4 | 172 | 0 | 0 | 111.2 | Q214 R220 G221 G222 | Q214-E218 WeakPolarHBondContact O-CA 3.43Å; Q214-E218 WeakPolarHBondContact O-CB 3.44Å; Q214-E218 VanDerWaalsContact O-CG 3.25Å; Q214-E218 WeakPolarHBondContact O-CG 3.24Å; Q214-E218 PolarHBondContact O-N 3Å; E218-R220 PolarHBondContact O-N 3.1Å; E218-G221 VanDerWaalsContact C-N 3.31Å; E218-G221 CarbonylContact O-C 3.57Å; E218-G221 PolarHBondContact O-N 3.45Å; E218-G222 VanDerWaalsContact O-CA 3.25Å; E218-G222 WeakPolarHBondContact O-CA 3.41Å; E218-G222 PolarHBondContact O-N 2.96Å |
| 219 | G | 55.4 | Low | 61.3 | Low | 57 Ų | 57 | 104.2 Ų | 104.2 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -17.1 | 157.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A215 | A215-G219 WeakPolarHBondContact O-CA 3.33Å; A215-G219 PolarHBondContact O-N 3.32Å |
| 220 | R | 53.8 | Low | 59.1 | Low | 174 Ų | 174 | 103.9 Ų | 103.9 | 66% | 0.657 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.5 | -5.2 | 168.9 | -133 | -178.8 | -74.1 | -114.5 | 3.6 | 114.4 | W216 S217 E218 | W216-R220 WeakPolarHBondContact O-CB 3.5Å; W216-R220 PolarHBondContact O-NE 3.39Å; S217-R220 CarbonylContact O-C 3.53Å; S217-R220 VanDerWaalsContact O-CA 3.3Å; S217-R220 WeakPolarHBondContact O-CA 3.48Å; S217-R220 WeakPolarHBondContact O-CB 3.41Å; S217-R220 PolarHBondContact O-N 2.92Å; E218-R220 PolarHBondContact O-N 3.1Å |
| 221 | G | 51.1 | Low | 57 | Low | 56 Ų | 56 | 106.6 Ų | 106.6 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -157 | 12.7 | -162.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | S217 E218 | S217-G221 VanDerWaalsContact O-CA 3.26Å; S217-G221 WeakPolarHBondContact O-CA 3.4Å; S217-G221 PolarHBondContact O-N 3.34Å; E218-G221 VanDerWaalsContact C-N 3.31Å; E218-G221 CarbonylContact O-C 3.57Å; E218-G221 PolarHBondContact O-N 3.45Å |
| 222 | G | 45.8 | Very low | 55.4 | Low | 55 Ų | 55 | 105.9 Ų | 105.9 | 57% | 0.567 | 65% | 0.651 | S | S | * | * | trans | -111.5 | 44.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | E218 | E218-G222 VanDerWaalsContact O-CA 3.25Å; E218-G222 WeakPolarHBondContact O-CA 3.41Å; E218-G222 PolarHBondContact O-N 2.96Å | ||
| 223 | R | 49 | Very low | 53.6 | Low | 242 Ų | 242 | 109.6 Ų | 109.6 | 91% | 0.913 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -152.9 | 87.2 | 147.1 | -76.1 | -161.6 | -168 | -138.9 | -0.1 | 108.7 | ||
| 224 | G | 42.7 | Very low | 52.3 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 61% | 0.608 | 65% | 0.647 | S | S | * | * | trans | 157.1 | 62.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | G226 | G224-G226 PolarHBondContact O-N 2.87Š| ||
| 225 | A | 48.3 | Very low | 51.5 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 100% | 1.008 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -72 | 80.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 226 | G | 43.3 | Very low | 51.4 | Low | 53 Ų | 53 | 100 Ų | 100 | 55% | 0.546 | 62% | 0.624 | S | S | . | * | S | Bend | trans | 151.1 | 112.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | G224 | G224-G226 PolarHBondContact O-N 2.87Š|
| 227 | C | 33.7 | Very low | 51.8 | Low | 120 Ų | 120 | 96.9 Ų | 96.9 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | trans | 85.4 | 117.1 | 173.2 | -51.7 | 0 | 0 | 0 | 0 | 116 | A229 | C227-A229 PolarHBondContact O-N 2.92Š| ||
| 228 | A | 42.7 | Very low | 52.5 | Low | 123 Ų | 123 | 99 Ų | 99 | 100% | 1.017 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | 51.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 229 | A | 45.3 | Very low | 53.8 | Low | 88 Ų | 88 | 99.6 Ų | 99.6 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | -8.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | C227 | C227-A229 PolarHBondContact O-N 2.92Š|
| 230 | D | 43.3 | Very low | 55.3 | Low | 131 Ų | 131 | 102.2 Ų | 102.2 | 70% | 0.701 | 63% | 0.625 | S | S | * | * | trans | -117.4 | 62.9 | -164.6 | -144.1 | -3.2 | 0 | 0 | 0 | 115.1 | G232 | D230-G232 PolarHBondContact O-N 3.3Å; D230-G232 WeakPolarHBondContact OD1-CA 3.43Å; D230-G232 PolarHBondContact OD1-N 2.86Å; D230-G232 VanDerWaalsContact OD1-N 3.15Å | ||
| 231 | L | 48 | Very low | 56.9 | Low | 164 Ų | 164 | 98 Ų | 98 | 86% | 0.859 | 61% | 0.614 | S | S | * | * | trans | -68.2 | 8.7 | 153.2 | -78.6 | 166.8 | 0 | 0 | 0 | 112 | G235 | L231-G235 WeakPolarHBondContact O-CA 3.41Å; L231-G235 PolarHBondContact O-N 3.43Å | ||
| 232 | G | 51.9 | Low | 58.9 | Low | 35 Ų | 35 | 100.3 Ų | 100.3 | 36% | 0.361 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -84.3 | -16.2 | -157.7 | 0 | 0 | 0 | 0 | 0 | 117.8 | D230 G236 | D230-G232 PolarHBondContact O-N 3.3Å; D230-G232 WeakPolarHBondContact OD1-CA 3.43Å; D230-G232 PolarHBondContact OD1-N 2.86Å; D230-G232 VanDerWaalsContact OD1-N 3.15Å; G232-G236 WeakPolarHBondContact O-CA 3.45Å; G232-G236 PolarHBondContact O-N 3.33Å |
| 233 | R | 48.2 | Very low | 61.2 | Low | 187 Ų | 187 | 105.5 Ų | 105.5 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -92.6 | -40.7 | -180 | -172.3 | 171.2 | -82 | -106.6 | -1.7 | 114 | ||
| 234 | G | 52.5 | Low | 63.4 | Low | 32 Ų | 32 | 98.6 Ų | 98.6 | 33% | 0.33 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -73 | -35.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L238 | G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 WeakPolarHBondContact O-CG 3.23Å; G234-L238 PolarHBondContact O-N 2.94Å |
| 235 | G | 61 | Low | 65.8 | Low | 17 Ų | 17 | 99.4 Ų | 99.4 | 18% | 0.175 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -61.3 | -40.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L231 L237 L238 E239 | L231-G235 WeakPolarHBondContact O-CA 3.41Å; L231-G235 PolarHBondContact O-N 3.43Å; G235-L237 PolarHBondContact O-N 2.85Å; G235-L238 CarbonylContact O-C 3.58Å; G235-L238 PolarHBondContact O-N 3.37Å; G235-E239 WeakPolarHBondContact O-CA 3.33Å; G235-E239 WeakPolarHBondContact O-CB 3.47Å; G235-E239 WeakPolarHBondContact O-CG 3.32Å; G235-E239 PolarHBondContact O-N 3.07Å |
| 236 | G | 73.7 | Confident | 68 | Low | 27 Ų | 27 | 99.9 Ų | 99.9 | 28% | 0.278 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.7 | -41.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | G232 E240 | G232-G236 WeakPolarHBondContact O-CA 3.45Å; G232-G236 PolarHBondContact O-N 3.33Å; G236-E240 WeakPolarHBondContact O-CB 3.25Å; G236-E240 PolarHBondContact O-N 3.31Å |
| 237 | L | 76.7 | Confident | 70.5 | Confident | 110 Ų | 110 | 100.9 Ų | 100.9 | 58% | 0.576 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.6 | -39.6 | 172.5 | -73 | 172.6 | 0 | 0 | 0 | 111.9 | G235 E240 I241 | G235-L237 PolarHBondContact O-N 2.85Å; L237-E240 PolarHBondContact O-N 2.98Å; L237-I241 WeakPolarHBondContact O-CB 3.4Å; L237-I241 WeakPolarHBondContact O-CD1 3.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.38Å; L237-I241 PolarHBondContact O-N 3.38Å |
| 238 | L | 79.3 | Confident | 73.4 | Confident | 109 Ų | 109 | 100.6 Ų | 100.6 | 57% | 0.571 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.7 | -39 | 174.8 | -75.2 | 166.9 | 0 | 0 | 0 | 112.1 | G234 G235 I241 L242 | G234-L238 WeakPolarHBondContact O-CB 3.48Å; G234-L238 WeakPolarHBondContact O-CG 3.23Å; G234-L238 PolarHBondContact O-N 2.94Å; G235-L238 CarbonylContact O-C 3.58Å; G235-L238 PolarHBondContact O-N 3.37Å; L238-I241 PolarHBondContact O-N 2.91Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 3.46Å |
| 239 | E | 84 | Confident | 75.9 | Confident | 131 Ų | 131 | 102.3 Ų | 102.3 | 61% | 0.612 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -66.6 | -38.4 | 174.2 | -77.2 | 169.5 | -162.4 | 0 | 0 | 110.8 | G235 L242 R243 | G235-E239 WeakPolarHBondContact O-CA 3.33Å; G235-E239 WeakPolarHBondContact O-CB 3.47Å; G235-E239 WeakPolarHBondContact O-CG 3.32Å; G235-E239 PolarHBondContact O-N 3.07Å; E239-L242 PolarHBondContact O-N 2.98Å; E239-R243 WeakPolarHBondContact O-CB 3.31Å; E239-R243 PolarHBondContact O-N 2.86Å |
| 240 | E | 86.9 | Confident | 78.3 | Confident | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 173.2 | -172.9 | 166.9 | -157.2 | 0 | 0 | 111.2 | G236 L237 R243 L244 | G236-E240 WeakPolarHBondContact O-CB 3.25Å; G236-E240 PolarHBondContact O-N 3.31Å; L237-E240 PolarHBondContact O-N 2.98Å; E240-R243 PolarHBondContact O-N 3.15Å; E240-L244 HydrophobicContact CG-CD1 4.3Å; E240-L244 WeakPolarHBondContact O-CB 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.26Å; E240-L244 WeakPolarHBondContact O-CG 3.49Å; E240-L244 PolarHBondContact O-N 2.92Å |
| 241 | I | 88.5 | Confident | 80.8 | Confident | 85 Ų | 85 | 100.5 Ų | 100.5 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 171.7 | -70.5 | 162.7 | 0 | 0 | 0 | 110.1 | L237 L238 R243 L244 E245 | L237-I241 WeakPolarHBondContact O-CB 3.4Å; L237-I241 WeakPolarHBondContact O-CD1 3.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.38Å; L237-I241 PolarHBondContact O-N 3.38Å; L238-I241 PolarHBondContact O-N 2.91Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 2.96Å; I241-L244 CarbonylContact O-C 3.55Å; I241-L244 PolarHBondContact O-N 3.44Å; I241-E245 HydrophobicContact CG2-CG 4.31Å; I241-E245 WeakPolarHBondContact CG2-OE1 3.48Å; I241-E245 WeakPolarHBondContact O-CB 3.49Å; I241-E245 VanDerWaalsContact O-CG 3.31Å; I241-E245 WeakPolarHBondContact O-CG 3.41Å; I241-E245 PolarHBondContact O-N 3.29Å |
| 242 | L | 92.3 | Very high | 83 | Confident | 105 Ų | 105 | 98.3 Ų | 98.3 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -37 | 178.2 | -73.8 | 171.1 | 0 | 0 | 0 | 112.6 | L238 E239 K246 | L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.44Å; L238-L242 PolarHBondContact O-N 3.46Å; E239-L242 PolarHBondContact O-N 2.98Å; L242-K246 WeakPolarHBondContact O-CB 3.21Å; L242-K246 PolarHBondContact O-N 3.31Å |
| 243 | R | 94.1 | Very high | 85 | Confident | 165 Ų | 165 | 100 Ų | 100 | 62% | 0.623 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -64.9 | -46.7 | 174.1 | 173.2 | -179.1 | 160 | 127 | 3 | 110.3 | E239 E240 I241 K246 H247 | E239-R243 WeakPolarHBondContact O-CB 3.31Å; E239-R243 PolarHBondContact O-N 2.86Å; E240-R243 PolarHBondContact O-N 3.15Å; I241-R243 VanDerWaalsContact C-N 3.32Å; I241-R243 PolarHBondContact O-N 2.96Å; R243-K246 PolarHBondContact O-N 2.94Å; R243-H247 PolarHBondContact O-CD2 3.31Å; R243-H247 PolarHBondContact O-N 2.86Å |
| 244 | L | 94.3 | Very high | 87.1 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 177.4 | -72 | 173.2 | 0 | 0 | 0 | 111.4 | E240 I241 K246 H247 L248 | E240-L244 HydrophobicContact CG-CD1 4.3Å; E240-L244 WeakPolarHBondContact O-CB 3.49Å; E240-L244 VanDerWaalsContact O-CG 3.26Å; E240-L244 WeakPolarHBondContact O-CG 3.49Å; E240-L244 PolarHBondContact O-N 2.92Å; I241-L244 CarbonylContact O-C 3.55Å; I241-L244 PolarHBondContact O-N 3.44Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.4Å; L244-H247 CarbonylContact O-C 3.59Å; L244-H247 WeakPolarHBondContact O-CB 3.45Å; L244-H247 PolarHBondContact O-N 3.38Å; L244-H247 VanDerWaalsContact O-N 3.13Å; L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 3.32Å |
| 245 | E | 93.9 | Very high | 89 | Confident | 76 Ų | 76 | 99.3 Ų | 99.3 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 173 | -75.4 | 177.8 | -176.8 | 0 | 0 | 111.7 | I241 H247 L248 R249 | I241-E245 HydrophobicContact CG2-CG 4.31Å; I241-E245 WeakPolarHBondContact CG2-OE1 3.48Å; I241-E245 WeakPolarHBondContact O-CB 3.49Å; I241-E245 VanDerWaalsContact O-CG 3.31Å; I241-E245 WeakPolarHBondContact O-CG 3.41Å; I241-E245 PolarHBondContact O-N 3.29Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-N 3.23Å; E245-L248 PolarHBondContact O-N 2.91Å; E245-R249 WeakPolarHBondContact O-CG 3.32Å; E245-R249 PolarHBondContact O-N 2.63Å |
| 246 | K | 94.9 | Very high | 90.5 | Very high | 131 Ų | 131 | 103.9 Ų | 103.9 | 57% | 0.57 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.6 | -37.4 | 174.5 | -175.4 | 177 | -177.8 | 176 | 0 | 111.9 | L242 R243 L244 K250 | L242-K246 WeakPolarHBondContact O-CB 3.21Å; L242-K246 PolarHBondContact O-N 3.31Å; R243-K246 PolarHBondContact O-N 2.94Å; L244-K246 VanDerWaalsContact C-N 3.34Å; L244-K246 PolarHBondContact O-N 3.4Å; K246-K250 VanDerWaalsContact O-CG 3.31Å; K246-K250 WeakPolarHBondContact O-CG 3.47Å; K246-K250 PolarHBondContact O-N 3.44Å; K246-K250 VanDerWaalsContact O-N 3.16Å |
| 247 | H | 95.2 | Very high | 91.3 | Very high | 74 Ų | 74 | 107.8 Ų | 107.8 | 34% | 0.343 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.2 | -40.7 | 174 | -83.6 | -73.9 | 0 | 0 | 0 | 112 | R243 L244 E245 K250 N251 | R243-H247 PolarHBondContact O-CD2 3.31Å; R243-H247 PolarHBondContact O-N 2.86Å; L244-H247 CarbonylContact O-C 3.59Å; L244-H247 WeakPolarHBondContact O-CB 3.45Å; L244-H247 PolarHBondContact O-N 3.38Å; L244-H247 VanDerWaalsContact O-N 3.13Å; E245-H247 VanDerWaalsContact C-N 3.3Å; E245-H247 PolarHBondContact O-N 3.23Å; H247-K250 PolarHBondContact O-N 2.87Å; H247-N251 WeakPolarHBondContact O-CB 3.35Å; H247-N251 PolarHBondContact O-N 3.21Å; H247-N251 PolarHBondContact O-OD1 2.85Å |
| 248 | L | 95.3 | Very high | 91.9 | Very high | 114 Ų | 114 | 108.7 Ų | 108.7 | 60% | 0.597 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 175.1 | -76 | 172.2 | 0 | 0 | 0 | 111.1 | L244 E245 K250 N251 E252 | L244-L248 WeakPolarHBondContact O-CB 3.28Å; L244-L248 WeakPolarHBondContact O-CG 3.28Å; L244-L248 PolarHBondContact O-N 3.32Å; E245-L248 PolarHBondContact O-N 2.91Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.32Å; L248-N251 PolarHBondContact O-N 2.86Å; L248-E252 VanDerWaalsContact O-CB 3.31Å; L248-E252 WeakPolarHBondContact O-CB 3.35Å; L248-E252 PolarHBondContact O-N 2.88Å |
| 249 | R | 95.5 | Very high | 92.5 | Very high | 160 Ų | 160 | 109.1 Ų | 109.1 | 60% | 0.604 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.2 | -36.8 | 175.4 | -70.4 | 178.4 | -167 | 159.7 | 10.3 | 112.9 | E245 V253 | E245-R249 WeakPolarHBondContact O-CG 3.32Å; E245-R249 PolarHBondContact O-N 2.63Å; R249-V253 WeakPolarHBondContact O-CG2 3.36Å; R249-V253 PolarHBondContact O-N 2.95Å |
| 250 | K | 95.5 | Very high | 93 | Very high | 102 Ų | 102 | 106 Ų | 106 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 175.1 | -75 | 173.8 | 176.3 | -170 | 0 | 111.3 | K246 H247 L248 E252 V253 E254 | K246-K250 VanDerWaalsContact O-CG 3.31Å; K246-K250 WeakPolarHBondContact O-CG 3.47Å; K246-K250 PolarHBondContact O-N 3.44Å; K246-K250 VanDerWaalsContact O-N 3.16Å; H247-K250 PolarHBondContact O-N 2.87Å; L248-K250 VanDerWaalsContact C-N 3.3Å; L248-K250 PolarHBondContact O-N 3.32Å; K250-E252 VanDerWaalsContact C-N 3.25Å; K250-E252 PolarHBondContact O-N 3.46Å; K250-V253 PolarHBondContact O-N 3.47Å; K250-E254 WeakPolarHBondContact O-CG 3.2Å; K250-E254 PolarHBondContact O-N 3.22Å |
| 251 | N | 95.3 | Very high | 93.2 | Very high | 78 Ų | 78 | 107.6 Ų | 107.6 | 42% | 0.417 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62 | -37.2 | 177.5 | -67 | 0.5 | 0 | 0 | 0 | 110.8 | H247 L248 E254 M255 | H247-N251 WeakPolarHBondContact O-CB 3.35Å; H247-N251 PolarHBondContact O-N 3.21Å; H247-N251 PolarHBondContact O-OD1 2.85Å; L248-N251 PolarHBondContact O-N 2.86Å; N251-E254 PolarHBondContact O-N 3.24Å; N251-M255 WeakPolarHBondContact O-CB 3.29Å; N251-M255 WeakPolarHBondContact O-CG 3.36Å; N251-M255 PolarHBondContact O-N 3.4Å |
| 252 | E | 94.9 | Very high | 93.3 | Very high | 118 Ų | 118 | 106.4 Ų | 106.4 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -60.5 | -48.3 | 175.3 | -173.1 | 172.1 | -156 | 0 | 0 | 111.2 | L248 K250 E254 M255 E256 | L248-E252 VanDerWaalsContact O-CB 3.31Å; L248-E252 WeakPolarHBondContact O-CB 3.35Å; L248-E252 PolarHBondContact O-N 2.88Å; K250-E252 VanDerWaalsContact C-N 3.25Å; K250-E252 PolarHBondContact O-N 3.46Å; E252-E254 PolarHBondContact O-N 2.89Å; E252-M255 PolarHBondContact O-N 2.85Å; E252-E256 WeakPolarHBondContact O-CG 3.3Å; E252-E256 PolarHBondContact O-N 3.42Å |
| 253 | V | 93.8 | Very high | 93.4 | Very high | 70 Ų | 70 | 105 Ų | 105 | 42% | 0.424 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 174.7 | 174.8 | 0 | 0 | 0 | 0 | 111.9 | R249 K250 M255 E256 E257 | R249-V253 WeakPolarHBondContact O-CG2 3.36Å; R249-V253 PolarHBondContact O-N 2.95Å; K250-V253 PolarHBondContact O-N 3.47Å; V253-M255 VanDerWaalsContact C-N 3.32Å; V253-M255 PolarHBondContact O-N 3.18Å; V253-E256 PolarHBondContact O-N 2.97Å; V253-E257 WeakPolarHBondContact O-CG 3.44Å; V253-E257 PolarHBondContact O-N 3.3Å |
| 254 | E | 90.6 | Very high | 92.9 | Very high | 106 Ų | 106 | 98.1 Ų | 98.1 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.7 | -72.4 | 171.1 | -168.8 | 0 | 0 | 111.5 | K250 N251 E252 E257 E258 | K250-E254 WeakPolarHBondContact O-CG 3.2Å; K250-E254 PolarHBondContact O-N 3.22Å; N251-E254 PolarHBondContact O-N 3.24Å; E252-E254 PolarHBondContact O-N 2.89Å; E254-E257 PolarHBondContact O-N 3.48Å; E254-E258 WeakPolarHBondContact O-CG 3.41Å; E254-E258 PolarHBondContact O-N 2.92Å |
| 255 | M | 94.1 | Very high | 92.8 | Very high | 99 Ų | 99 | 98.7 Ų | 98.7 | 49% | 0.488 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65 | -44.5 | 174.5 | -72.6 | -62.3 | -51.2 | 0 | 0 | 111.7 | N251 E252 V253 E257 E258 E259 | N251-M255 WeakPolarHBondContact O-CB 3.29Å; N251-M255 WeakPolarHBondContact O-CG 3.36Å; N251-M255 PolarHBondContact O-N 3.4Å; E252-M255 PolarHBondContact O-N 2.85Å; V253-M255 VanDerWaalsContact C-N 3.32Å; V253-M255 PolarHBondContact O-N 3.18Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 3.29Å; M255-E258 PolarHBondContact O-N 3.24Å; M255-E259 WeakPolarHBondContact O-CB 3.29Å; M255-E259 VanDerWaalsContact O-CG 3.3Å; M255-E259 WeakPolarHBondContact O-CG 3.5Å; M255-E259 PolarHBondContact O-N 3.37Å |
| 256 | E | 92.1 | Very high | 92.8 | Very high | 113 Ų | 113 | 99.6 Ų | 99.6 | 53% | 0.528 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.2 | -39.5 | 175.2 | -71.2 | 174.7 | 174.7 | 0 | 0 | 111.8 | E252 V253 F260 | E252-E256 WeakPolarHBondContact O-CG 3.3Å; E252-E256 PolarHBondContact O-N 3.42Å; V253-E256 PolarHBondContact O-N 2.97Å; E256-F260 WeakPolarHBondContact O-CB 3.42Å; E256-F260 PolarHBondContact O-N 3.09Å |
| 257 | E | 89.8 | Confident | 92.7 | Very high | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.7 | -44 | 174.8 | -73.4 | 179.3 | -178.5 | 0 | 0 | 111.8 | V253 E254 M255 F260 W261 | V253-E257 WeakPolarHBondContact O-CG 3.44Å; V253-E257 PolarHBondContact O-N 3.3Å; E254-E257 PolarHBondContact O-N 3.48Å; M255-E257 VanDerWaalsContact C-N 3.29Å; M255-E257 PolarHBondContact O-N 3.29Å; E257-F260 WeakPolarHBondContact O-CB 3.28Å; E257-F260 PolarHBondContact O-N 2.75Å; E257-W261 PolarHBondContact O-N 3.34Å |
| 258 | E | 89.7 | Confident | 92.3 | Very high | 128 Ų | 128 | 96.3 Ų | 96.3 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 175.9 | -75.4 | -174.4 | 175.7 | 0 | 0 | 111.9 | E254 M255 W261 A262 | E254-E258 WeakPolarHBondContact O-CG 3.41Å; E254-E258 PolarHBondContact O-N 2.92Å; M255-E258 PolarHBondContact O-N 3.24Å; E258-W261 PolarHBondContact O-N 3.37Å; E258-A262 WeakPolarHBondContact O-CB 3.44Å; E258-A262 PolarHBondContact O-N 2.93Å |
| 259 | E | 91.8 | Very high | 92.1 | Very high | 118 Ų | 118 | 95.8 Ų | 95.8 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.7 | -44.6 | 174.5 | -73.6 | 176.5 | -173.1 | 0 | 0 | 111.2 | M255 W261 A262 T263 | M255-E259 WeakPolarHBondContact O-CB 3.29Å; M255-E259 VanDerWaalsContact O-CG 3.3Å; M255-E259 WeakPolarHBondContact O-CG 3.5Å; M255-E259 PolarHBondContact O-N 3.37Å; E259-W261 PolarHBondContact O-N 3.36Å; E259-A262 PolarHBondContact O-N 3.04Å; E259-T263 WeakPolarHBondContact O-CG2 3.41Å; E259-T263 PolarHBondContact O-N 3.47Å; E259-T263 PolarHBondContact O-OG1 2.92Å |
| 260 | F | 93.8 | Very high | 92.1 | Very high | 67 Ų | 67 | 92.4 Ų | 92.4 | 29% | 0.294 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.2 | -51.2 | 174.1 | 175.4 | -96.6 | 0 | 0 | 0 | 111.5 | L107 E256 E257 A262 T263 E264 | L107-F260 HydrophobicContact CD2-CZ 4.14Å; E256-F260 WeakPolarHBondContact O-CB 3.42Å; E256-F260 PolarHBondContact O-N 3.09Å; E257-F260 WeakPolarHBondContact O-CB 3.28Å; E257-F260 PolarHBondContact O-N 2.75Å; F260-A262 VanDerWaalsContact C-N 3.3Å; F260-A262 PolarHBondContact O-N 3.06Å; F260-T263 PolarHBondContact O-N 3.47Å; F260-T263 VanDerWaalsContact O-N 3.16Å; F260-T263 PolarHBondContact O-OG1 2.83Å; F260-E264 HydrophobicContact CD1-CG 4.22Å; F260-E264 HydrophobicContact CD2-CG 4.43Å; F260-E264 HydrophobicContact CE1-CG 3.72Å; F260-E264 HydrophobicContact CE2-CG 3.96Å; F260-E264 HydrophobicContact CZ-CG 3.57Å; F260-E264 PolarHBondContact O-N 3.41Å |
| 261 | W | 92.2 | Very high | 91.7 | Very high | 143 Ų | 143 | 89.2 Ų | 89.2 | 54% | 0.542 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.4 | -33.5 | 179 | -71 | 117.1 | 0 | 0 | 0 | 113.1 | E257 E258 E259 L265 | E257-W261 PolarHBondContact O-N 3.34Å; E258-W261 PolarHBondContact O-N 3.37Å; E259-W261 PolarHBondContact O-N 3.36Å; W261-L265 VanDerWaalsContact O-CB 3.26Å; W261-L265 WeakPolarHBondContact O-CB 3.47Å; W261-L265 PolarHBondContact O-N 3.17Å |
| 262 | A | 91.1 | Very high | 91.6 | Very high | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E258 E259 F260 Q266 | E258-A262 WeakPolarHBondContact O-CB 3.44Å; E258-A262 PolarHBondContact O-N 2.93Å; E259-A262 PolarHBondContact O-N 3.04Å; F260-A262 VanDerWaalsContact C-N 3.3Å; F260-A262 PolarHBondContact O-N 3.06Å; A262-Q266 PolarHBondContact O-N 3.15Å |
| 263 | T | 93.5 | Very high | 91.7 | Very high | 76 Ų | 76 | 91.9 Ų | 91.9 | 47% | 0.466 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.9 | -43.3 | 175.9 | 60.2 | 0 | 0 | 0 | 0 | 112.5 | E259 F260 L265 Q266 I267 | E259-T263 WeakPolarHBondContact O-CG2 3.41Å; E259-T263 PolarHBondContact O-N 3.47Å; E259-T263 PolarHBondContact O-OG1 2.92Å; F260-T263 PolarHBondContact O-N 3.47Å; F260-T263 VanDerWaalsContact O-N 3.16Å; F260-T263 PolarHBondContact O-OG1 2.83Å; T263-L265 PolarHBondContact O-N 3.14Å; T263-Q266 WeakPolarHBondContact O-CB 3.5Å; T263-Q266 PolarHBondContact O-N 2.88Å; T263-I267 WeakPolarHBondContact O-CG1 3.31Å; T263-I267 PolarHBondContact O-N 2.98Å |
| 264 | E | 84.3 | Confident | 91.8 | Very high | 21 Ų | 21 | 92.7 Ų | 92.7 | 10% | 0.098 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 177 | -72.4 | -67.4 | 141.9 | 0 | 0 | 111.6 | L107 F260 Q266 I267 E268 | L107-E264 HydrophobicContact CD2-CG 4.24Å; L107-E264 VanDerWaalsContact CD2-OE2 3.29Å; L107-E264 WeakPolarHBondContact CD2-OE2 3.39Å; F260-E264 HydrophobicContact CD1-CG 4.22Å; F260-E264 HydrophobicContact CD2-CG 4.43Å; F260-E264 HydrophobicContact CE1-CG 3.72Å; F260-E264 HydrophobicContact CE2-CG 3.96Å; F260-E264 HydrophobicContact CZ-CG 3.57Å; F260-E264 PolarHBondContact O-N 3.41Å; E264-Q266 VanDerWaalsContact C-N 3.32Å; E264-Q266 PolarHBondContact O-N 3.44Å; E264-I267 PolarHBondContact O-N 3.27Å; E264-E268 WeakPolarHBondContact O-CB 3.26Å; E264-E268 WeakPolarHBondContact O-CG 3.28Å; E264-E268 PolarHBondContact O-N 2.97Å |
| 265 | L | 90.9 | Very high | 92 | Very high | 108 Ų | 108 | 92.3 Ų | 92.3 | 57% | 0.565 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 174.4 | 178.8 | 62.7 | 0 | 0 | 0 | 111.4 | W261 T263 E268 M269 | W261-L265 VanDerWaalsContact O-CB 3.26Å; W261-L265 WeakPolarHBondContact O-CB 3.47Å; W261-L265 PolarHBondContact O-N 3.17Å; T263-L265 PolarHBondContact O-N 3.14Å; L265-E268 PolarHBondContact O-N 3.18Å; L265-M269 HydrophobicContact CD1-CG 4.43Å; L265-M269 HydrophobicContact CG-SD 4.24Å; L265-M269 VanDerWaalsContact O-CG 3.29Å; L265-M269 WeakPolarHBondContact O-CG 3.35Å; L265-M269 PolarHBondContact O-N 3.23Å |
| 266 | Q | 95.3 | Very high | 92.1 | Very high | 96 Ų | 96 | 92.1 Ų | 92.1 | 45% | 0.449 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -43.8 | 177.5 | -178.5 | 63.7 | 22.1 | 0 | 0 | 111.7 | A262 T263 E264 M269 E270 | A262-Q266 PolarHBondContact O-N 3.15Å; T263-Q266 WeakPolarHBondContact O-CB 3.5Å; T263-Q266 PolarHBondContact O-N 2.88Å; E264-Q266 VanDerWaalsContact C-N 3.32Å; E264-Q266 PolarHBondContact O-N 3.44Å; Q266-M269 PolarHBondContact O-N 3.06Å; Q266-E270 PolarHBondContact NE2-OE1 2.92Å; Q266-E270 WeakPolarHBondContact O-CG 3.34Å; Q266-E270 PolarHBondContact O-N 2.92Å |
| 267 | I | 91.4 | Very high | 92.4 | Very high | 55 Ų | 55 | 91.1 Ų | 91.1 | 28% | 0.282 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 176.6 | -68 | 165.7 | 0 | 0 | 0 | 110.7 | T263 E264 M269 E270 S271 | T263-I267 WeakPolarHBondContact O-CG1 3.31Å; T263-I267 PolarHBondContact O-N 2.98Å; E264-I267 PolarHBondContact O-N 3.27Å; I267-M269 PolarHBondContact O-N 3.45Å; I267-E270 PolarHBondContact O-N 2.83Å; I267-S271 WeakPolarHBondContact O-CB 3.39Å; I267-S271 PolarHBondContact O-N 3.16Å |
| 268 | E | 88.3 | Confident | 92.8 | Very high | 81 Ų | 81 | 92.9 Ų | 92.9 | 38% | 0.379 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.1 | -42.7 | 178.7 | -71.3 | -74.6 | 177.2 | 0 | 0 | 110.9 | E264 L265 E270 S271 E272 | E264-E268 WeakPolarHBondContact O-CB 3.26Å; E264-E268 WeakPolarHBondContact O-CG 3.28Å; E264-E268 PolarHBondContact O-N 2.97Å; L265-E268 PolarHBondContact O-N 3.18Å; E268-E270 PolarHBondContact O-N 2.75Å; E268-S271 PolarHBondContact O-N 3.15Å; E268-S271 PolarHBondContact O-OG 2.86Å; E268-E272 WeakPolarHBondContact O-CB 3.41Å; E268-E272 PolarHBondContact O-N 3.46Å |
| 269 | M | 90 | Very high | 93.2 | Very high | 103 Ų | 103 | 91.2 Ų | 91.2 | 51% | 0.507 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60 | -42.6 | 174.1 | -73 | 177.1 | 64.2 | 0 | 0 | 112.6 | L265 Q266 I267 S271 E272 R273 | L265-M269 HydrophobicContact CD1-CG 4.43Å; L265-M269 HydrophobicContact CG-SD 4.24Å; L265-M269 VanDerWaalsContact O-CG 3.29Å; L265-M269 WeakPolarHBondContact O-CG 3.35Å; L265-M269 PolarHBondContact O-N 3.23Å; Q266-M269 PolarHBondContact O-N 3.06Å; I267-M269 PolarHBondContact O-N 3.45Å; M269-S271 VanDerWaalsContact C-N 3.34Å; M269-E272 PolarHBondContact O-N 3.49Å; M269-R273 WeakPolarHBondContact O-CB 3.34Å; M269-R273 PolarHBondContact O-N 3.37Å |
| 270 | E | 94.8 | Very high | 93.5 | Very high | 88 Ų | 88 | 91.7 Ų | 91.7 | 41% | 0.411 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 176.2 | -73.6 | 174.8 | -165.9 | 0 | 0 | 111.9 | Q266 I267 E268 R273 Q274 | Q266-E270 PolarHBondContact NE2-OE1 2.92Å; Q266-E270 WeakPolarHBondContact O-CG 3.34Å; Q266-E270 PolarHBondContact O-N 2.92Å; I267-E270 PolarHBondContact O-N 2.83Å; E268-E270 PolarHBondContact O-N 2.75Å; E270-R273 PolarHBondContact O-N 3.34Å; E270-Q274 VanDerWaalsContact O-CG 3.28Å; E270-Q274 WeakPolarHBondContact O-CG 3.38Å; E270-Q274 PolarHBondContact O-N 3.17Å |
| 271 | S | 88.1 | Confident | 93.7 | Very high | 36 Ų | 36 | 94 Ų | 94 | 25% | 0.252 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -68.3 | -40.2 | 176.3 | 84.3 | 0 | 0 | 0 | 0 | 112.1 | I267 E268 M269 Q274 L275 | I267-S271 WeakPolarHBondContact O-CB 3.39Å; I267-S271 PolarHBondContact O-N 3.16Å; E268-S271 PolarHBondContact O-N 3.15Å; E268-S271 PolarHBondContact O-OG 2.86Å; M269-S271 VanDerWaalsContact C-N 3.34Å; S271-Q274 PolarHBondContact O-N 3.02Å; S271-L275 VanDerWaalsContact O-CG 3.31Å; S271-L275 WeakPolarHBondContact O-CG 3.47Å; S271-L275 PolarHBondContact O-N 3.44Å |
| 272 | E | 93.8 | Very high | 94 | Very high | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 173.8 | -177.1 | 171.9 | -156.5 | 0 | 0 | 109.5 | E268 M269 Q274 L275 E276 | E268-E272 WeakPolarHBondContact O-CB 3.41Å; E268-E272 PolarHBondContact O-N 3.46Å; M269-E272 PolarHBondContact O-N 3.49Å; E272-Q274 VanDerWaalsContact C-N 3.33Å; E272-Q274 PolarHBondContact O-N 3Å; E272-L275 WeakPolarHBondContact O-CB 3.39Å; E272-L275 PolarHBondContact O-N 3.32Å; E272-L275 VanDerWaalsContact O-N 3.09Å; E272-E276 WeakPolarHBondContact O-CG 3.46Å; E272-E276 PolarHBondContact O-N 2.92Å |
| 273 | R | 96.8 | Very high | 94.3 | Very high | 135 Ų | 135 | 96.9 Ų | 96.9 | 51% | 0.509 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -56.4 | -44.6 | 175.2 | -166 | -178.2 | 78.3 | 81.7 | 10.8 | 112.3 | M269 E270 E276 E277 | M269-R273 WeakPolarHBondContact O-CB 3.34Å; M269-R273 PolarHBondContact O-N 3.37Å; E270-R273 PolarHBondContact O-N 3.34Å; R273-E276 PolarHBondContact O-N 2.79Å; R273-E277 IonicContact CZ-OE1 2.79Å; R273-E277 IonicContact NH1-OE1 3.49Å; R273-E277 PolarHBondContact NH1-OE1 3.16Å; R273-E277 IonicContact NH2-OE1 3.17Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.91Å |
| 274 | Q | 96.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 95.1 Ų | 95.1 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 176.7 | -72.6 | 172.7 | 21.4 | 0 | 0 | 112.5 | E270 S271 E272 R278 | E270-Q274 VanDerWaalsContact O-CG 3.28Å; E270-Q274 WeakPolarHBondContact O-CG 3.38Å; E270-Q274 PolarHBondContact O-N 3.17Å; S271-Q274 PolarHBondContact O-N 3.02Å; E272-Q274 VanDerWaalsContact C-N 3.33Å; E272-Q274 PolarHBondContact O-N 3Å; Q274-R278 VanDerWaalsContact O-CG 3.3Å; Q274-R278 WeakPolarHBondContact O-CG 2.95Å; Q274-R278 PolarHBondContact O-N 2.96Å |
| 275 | L | 94.6 | Very high | 95.2 | Very high | 98 Ų | 98 | 101.8 Ų | 101.8 | 51% | 0.513 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.6 | -40.5 | 176 | -72.5 | 171.2 | 0 | 0 | 0 | 111.1 | S271 E272 R278 L279 | S271-L275 VanDerWaalsContact O-CG 3.31Å; S271-L275 WeakPolarHBondContact O-CG 3.47Å; S271-L275 PolarHBondContact O-N 3.44Å; E272-L275 WeakPolarHBondContact O-CB 3.39Å; E272-L275 PolarHBondContact O-N 3.32Å; E272-L275 VanDerWaalsContact O-N 3.09Å; L275-R278 PolarHBondContact O-N 3.31Å; L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.3Å; L275-L279 PolarHBondContact O-N 2.81Å |
| 276 | E | 96.4 | Very high | 95.6 | Very high | 96 Ų | 96 | 101.5 Ų | 101.5 | 45% | 0.449 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 173.9 | -72.2 | -179.7 | 160.6 | 0 | 0 | 111.8 | E272 R273 R278 L279 Q280 | E272-E276 WeakPolarHBondContact O-CG 3.46Å; E272-E276 PolarHBondContact O-N 2.92Å; R273-E276 PolarHBondContact O-N 2.79Å; E276-R278 PolarHBondContact O-N 2.91Å; E276-L279 PolarHBondContact O-N 3.48Å; E276-Q280 VanDerWaalsContact O-CG 3.28Å; E276-Q280 WeakPolarHBondContact O-CG 3.22Å; E276-Q280 PolarHBondContact O-N 2.81Å |
| 277 | E | 98 | Very high | 95.7 | Very high | 91 Ų | 91 | 102.7 Ų | 102.7 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 175 | -75 | 173.4 | 173.5 | 0 | 0 | 111.5 | R273 L279 Q280 E281 | R273-E277 IonicContact CZ-OE1 2.79Å; R273-E277 IonicContact NH1-OE1 3.49Å; R273-E277 PolarHBondContact NH1-OE1 3.16Å; R273-E277 IonicContact NH2-OE1 3.17Å; R273-E277 WeakPolarHBondContact O-CG 3.29Å; R273-E277 PolarHBondContact O-N 2.91Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.93Å; E277-Q280 PolarHBondContact O-N 3Å; E277-E281 PolarHBondContact O-N 2.99Å |
| 278 | R | 97.7 | Very high | 96.1 | Very high | 147 Ų | 147 | 101.4 Ų | 101.4 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.9 | -40.2 | 176 | -72.9 | 175 | -176.2 | 172.5 | 5.9 | 112.2 | Q274 L275 E276 Q280 E281 L282 | Q274-R278 VanDerWaalsContact O-CG 3.3Å; Q274-R278 WeakPolarHBondContact O-CG 2.95Å; Q274-R278 PolarHBondContact O-N 2.96Å; L275-R278 PolarHBondContact O-N 3.31Å; E276-R278 PolarHBondContact O-N 2.91Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; R278-E281 PolarHBondContact O-N 3.36Å; R278-L282 WeakPolarHBondContact O-CB 3.11Å; R278-L282 VanDerWaalsContact O-CG 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 2.86Å |
| 279 | L | 98 | Very high | 96.5 | Very high | 93 Ų | 93 | 100.8 Ų | 100.8 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 175.9 | -76.9 | 173 | 0 | 0 | 0 | 111.3 | L275 E276 E277 L282 R283 | L275-L279 WeakPolarHBondContact O-CB 3.43Å; L275-L279 VanDerWaalsContact O-CG 3.28Å; L275-L279 WeakPolarHBondContact O-CG 3.3Å; L275-L279 PolarHBondContact O-N 2.81Å; E276-L279 PolarHBondContact O-N 3.48Å; E277-L279 VanDerWaalsContact C-N 3.35Å; E277-L279 PolarHBondContact O-N 2.93Å; L279-L282 PolarHBondContact O-N 3.07Å; L279-R283 WeakPolarHBondContact O-CB 3.18Å; L279-R283 WeakPolarHBondContact O-CG 3.4Å; L279-R283 PolarHBondContact O-N 3.04Å |
| 280 | Q | 98.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 100 Ų | 100 | 60% | 0.598 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.9 | -43.2 | 175.2 | -71.4 | 173.1 | 19 | 0 | 0 | 111.5 | E276 E277 R278 R283 G284 | E276-Q280 VanDerWaalsContact O-CG 3.28Å; E276-Q280 WeakPolarHBondContact O-CG 3.22Å; E276-Q280 PolarHBondContact O-N 2.81Å; E277-Q280 PolarHBondContact O-N 3Å; R278-Q280 VanDerWaalsContact C-N 3.34Å; Q280-R283 PolarHBondContact O-N 2.89Å; Q280-G284 PolarHBondContact O-N 2.87Å |
| 281 | E | 98.4 | Very high | 97.1 | Very high | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.8 | -48.4 | 174.7 | -169.9 | -163.3 | 150.2 | 0 | 0 | 111.2 | E277 R278 R283 G284 R285 | E277-E281 PolarHBondContact O-N 2.99Å; R278-E281 PolarHBondContact O-N 3.36Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3.05Å; E281-G284 PolarHBondContact O-N 3.33Å; E281-R285 WeakPolarHBondContact O-CG 3.26Å; E281-R285 PolarHBondContact O-N 2.73Å |
| 282 | L | 97.9 | Very high | 97.6 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -40.2 | 177.8 | -72.1 | 175.2 | 0 | 0 | 0 | 112 | R278 L279 R285 L286 | R278-L282 WeakPolarHBondContact O-CB 3.11Å; R278-L282 VanDerWaalsContact O-CG 3.29Å; R278-L282 WeakPolarHBondContact O-CG 3.49Å; R278-L282 PolarHBondContact O-N 2.86Å; L279-L282 PolarHBondContact O-N 3.07Å; L282-R285 PolarHBondContact O-N 3.29Å; L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 PolarHBondContact O-N 2.9Å |
| 283 | R | 98.1 | Very high | 97.8 | Very high | 164 Ų | 164 | 103.5 Ų | 103.5 | 62% | 0.619 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -43.9 | 173.6 | -76 | 172.8 | -175.2 | -170.7 | 4 | 111.5 | L279 Q280 E281 L286 Q287 | L279-R283 WeakPolarHBondContact O-CB 3.18Å; L279-R283 WeakPolarHBondContact O-CG 3.4Å; L279-R283 PolarHBondContact O-N 3.04Å; Q280-R283 PolarHBondContact O-N 2.89Å; E281-R283 VanDerWaalsContact C-N 3.34Å; E281-R283 PolarHBondContact O-N 3.05Å; R283-L286 PolarHBondContact O-N 3.48Å; R283-Q287 WeakPolarHBondContact O-CB 3.47Å; R283-Q287 VanDerWaalsContact O-CG 3.31Å; R283-Q287 WeakPolarHBondContact O-CG 3.46Å; R283-Q287 PolarHBondContact O-N 3.13Å |
| 284 | G | 98.3 | Very high | 97.9 | Very high | 38 Ų | 38 | 102.9 Ų | 102.9 | 39% | 0.392 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q280 E281 Q287 G288 | Q280-G284 PolarHBondContact O-N 2.87Å; E281-G284 PolarHBondContact O-N 3.33Å; G284-Q287 PolarHBondContact O-N 3.47Å; G284-G288 PolarHBondContact O-N 3.07Å |
| 285 | R | 98.6 | Very high | 98 | Very high | 161 Ų | 161 | 104.1 Ų | 104.1 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.1 | -41.3 | 174.6 | -71 | 176.9 | 62.7 | -179 | -1.4 | 112.3 | E281 L282 G288 C289 | E281-R285 WeakPolarHBondContact O-CG 3.26Å; E281-R285 PolarHBondContact O-N 2.73Å; L282-R285 PolarHBondContact O-N 3.29Å; R285-G288 PolarHBondContact O-N 3.12Å; R285-C289 PolarHBondContact O-N 2.87Å; R285-C289 PolarHBondContact O-SG 3.1Å |
| 286 | L | 98.4 | Very high | 98.2 | Very high | 103 Ų | 103 | 105.5 Ų | 105.5 | 54% | 0.539 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 176.8 | -173.6 | 121.7 | 0 | 0 | 0 | 111.2 | L282 R283 G288 C289 E290 | L282-L286 VanDerWaalsContact O-CB 3.32Å; L282-L286 WeakPolarHBondContact O-CB 3.4Å; L282-L286 PolarHBondContact O-N 2.9Å; R283-L286 PolarHBondContact O-N 3.48Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-G288 PolarHBondContact O-N 3.32Å; L286-C289 WeakPolarHBondContact O-CB 3.36Å; L286-C289 PolarHBondContact O-N 3.49Å; L286-E290 VanDerWaalsContact CD2-OE1 3.28Å; L286-E290 WeakPolarHBondContact CD2-OE1 3.38Å; L286-E290 WeakPolarHBondContact O-CG 3.45Å; L286-E290 PolarHBondContact O-N 3.42Å |
| 287 | Q | 98.4 | Very high | 98.3 | Very high | 120 Ų | 120 | 105.2 Ų | 105.2 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.8 | -40.2 | 173.9 | -72.7 | 173.4 | -2.4 | 0 | 0 | 112 | R283 G284 E290 M291 | R283-Q287 WeakPolarHBondContact O-CB 3.47Å; R283-Q287 VanDerWaalsContact O-CG 3.31Å; R283-Q287 WeakPolarHBondContact O-CG 3.46Å; R283-Q287 PolarHBondContact O-N 3.13Å; G284-Q287 PolarHBondContact O-N 3.47Å; Q287-E290 WeakPolarHBondContact O-CB 3.42Å; Q287-E290 PolarHBondContact O-N 3.35Å; Q287-M291 WeakPolarHBondContact O-CG 3.26Å; Q287-M291 PolarHBondContact O-N 3.19Å |
| 288 | G | 98.4 | Very high | 98.3 | Very high | 29 Ų | 29 | 105.2 Ų | 105.2 | 30% | 0.299 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.8 | -49.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | G284 R285 L286 E290 M291 E292 | G284-G288 PolarHBondContact O-N 3.07Å; R285-G288 PolarHBondContact O-N 3.12Å; L286-G288 VanDerWaalsContact C-N 3.32Å; L286-G288 PolarHBondContact O-N 3.32Å; G288-E290 VanDerWaalsContact C-N 3.32Å; G288-E290 PolarHBondContact O-N 2.93Å; G288-M291 PolarHBondContact O-N 3.26Å; G288-M291 VanDerWaalsContact O-N 3.15Å; G288-E292 WeakPolarHBondContact O-CG 3.12Å; G288-E292 PolarHBondContact O-N 2.78Å |
| 289 | C | 97.8 | Very high | 98.3 | Very high | 67 Ų | 67 | 104.6 Ų | 104.6 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.9 | -41.6 | 174.8 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | R285 L286 M291 E292 I293 | R285-C289 PolarHBondContact O-N 2.87Å; R285-C289 PolarHBondContact O-SG 3.1Å; L286-C289 WeakPolarHBondContact O-CB 3.36Å; L286-C289 PolarHBondContact O-N 3.49Å; C289-M291 VanDerWaalsContact C-N 3.32Å; C289-M291 PolarHBondContact O-N 3.35Å; C289-E292 PolarHBondContact O-N 3.41Å; C289-I293 WeakPolarHBondContact O-CB 3.43Å; C289-I293 WeakPolarHBondContact O-CD1 3.43Å; C289-I293 WeakPolarHBondContact O-CG1 3.4Å; C289-I293 PolarHBondContact O-N 2.92Å |
| 290 | E | 98.4 | Very high | 98.3 | Very high | 86 Ų | 86 | 104.6 Ų | 104.6 | 40% | 0.402 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 176.1 | -75.4 | 179.7 | -170.8 | 0 | 0 | 112.1 | L286 Q287 G288 K294 | L286-E290 VanDerWaalsContact CD2-OE1 3.28Å; L286-E290 WeakPolarHBondContact CD2-OE1 3.38Å; L286-E290 WeakPolarHBondContact O-CG 3.45Å; L286-E290 PolarHBondContact O-N 3.42Å; Q287-E290 WeakPolarHBondContact O-CB 3.42Å; Q287-E290 PolarHBondContact O-N 3.35Å; G288-E290 VanDerWaalsContact C-N 3.32Å; G288-E290 PolarHBondContact O-N 2.93Å; E290-K294 WeakPolarHBondContact O-CD 3.38Å; E290-K294 VanDerWaalsContact O-CG 3.23Å; E290-K294 WeakPolarHBondContact O-CG 3.35Å; E290-K294 PolarHBondContact O-N 2.72Å |
| 291 | M | 98.3 | Very high | 98.3 | Very high | 115 Ų | 115 | 105.3 Ų | 105.3 | 57% | 0.567 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.7 | -47.7 | 175.3 | -71.5 | -177.5 | 64.5 | 0 | 0 | 111.4 | Q287 G288 C289 I293 K294 E295 | Q287-M291 WeakPolarHBondContact O-CG 3.26Å; Q287-M291 PolarHBondContact O-N 3.19Å; G288-M291 PolarHBondContact O-N 3.26Å; G288-M291 VanDerWaalsContact O-N 3.15Å; C289-M291 VanDerWaalsContact C-N 3.32Å; C289-M291 PolarHBondContact O-N 3.35Å; M291-I293 VanDerWaalsContact C-N 3.27Å; M291-I293 PolarHBondContact O-N 2.88Å; M291-K294 WeakPolarHBondContact O-CB 3.24Å; M291-K294 PolarHBondContact O-N 3Å; M291-K294 VanDerWaalsContact O-N 3.07Å; M291-E295 WeakPolarHBondContact O-CG 3.49Å; M291-E295 PolarHBondContact O-N 2.87Å |
| 292 | E | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 102 Ų | 102 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.8 | -38.6 | 176.3 | -71.2 | 179.8 | -160.6 | 0 | 0 | 112.3 | G288 C289 K296 | G288-E292 WeakPolarHBondContact O-CG 3.12Å; G288-E292 PolarHBondContact O-N 2.78Å; C289-E292 PolarHBondContact O-N 3.41Å; E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 VanDerWaalsContact O-CG 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.25Å; E292-K296 PolarHBondContact O-N 2.84Å |
| 293 | I | 98.4 | Very high | 98.3 | Very high | 97 Ų | 97 | 101.3 Ų | 101.3 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -45.3 | 175.1 | -70.2 | 165.2 | 0 | 0 | 0 | 110.2 | C289 M291 E295 K296 L297 | C289-I293 WeakPolarHBondContact O-CB 3.43Å; C289-I293 WeakPolarHBondContact O-CD1 3.43Å; C289-I293 WeakPolarHBondContact O-CG1 3.4Å; C289-I293 PolarHBondContact O-N 2.92Å; M291-I293 VanDerWaalsContact C-N 3.27Å; M291-I293 PolarHBondContact O-N 2.88Å; I293-E295 VanDerWaalsContact C-N 3.33Å; I293-E295 PolarHBondContact O-N 3.23Å; I293-K296 PolarHBondContact O-N 2.92Å; I293-L297 HydrophobicContact CG2-CD1 3.86Å; I293-L297 HydrophobicContact CG2-CG 4.26Å; I293-L297 WeakPolarHBondContact O-CB 3.28Å; I293-L297 VanDerWaalsContact O-CG 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.23Å; I293-L297 PolarHBondContact O-N 3.37Å |
| 294 | K | 98.5 | Very high | 98.3 | Very high | 122 Ų | 122 | 98.6 Ų | 98.6 | 53% | 0.53 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.1 | -44.7 | 176.6 | -73.5 | 164.4 | -172.4 | 164.3 | 0 | 111.3 | E290 M291 L297 T298 | E290-K294 WeakPolarHBondContact O-CD 3.38Å; E290-K294 VanDerWaalsContact O-CG 3.23Å; E290-K294 WeakPolarHBondContact O-CG 3.35Å; E290-K294 PolarHBondContact O-N 2.72Å; M291-K294 WeakPolarHBondContact O-CB 3.24Å; M291-K294 PolarHBondContact O-N 3Å; M291-K294 VanDerWaalsContact O-N 3.07Å; K294-L297 PolarHBondContact O-N 3.3Å; K294-T298 WeakPolarHBondContact O-CG2 3.37Å; K294-T298 PolarHBondContact O-N 2.96Å; K294-T298 PolarHBondContact O-OG1 3.22Å |
| 295 | E | 98.5 | Very high | 98.2 | Very high | 114 Ų | 114 | 98.9 Ų | 98.9 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 176.1 | -72.1 | 173.6 | -175.2 | 0 | 0 | 111.4 | M291 I293 L297 T298 M299 | M291-E295 WeakPolarHBondContact O-CG 3.49Å; M291-E295 PolarHBondContact O-N 2.87Å; I293-E295 VanDerWaalsContact C-N 3.33Å; I293-E295 PolarHBondContact O-N 3.23Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.41Å; E295-T298 WeakPolarHBondContact CA-OG1 3.42Å; E295-T298 PolarHBondContact O-N 3.46Å; E295-T298 VanDerWaalsContact O-N 3.1Å; E295-T298 PolarHBondContact O-OG1 3.22Å; E295-M299 WeakPolarHBondContact O-CG 3.4Å; E295-M299 PolarHBondContact O-N 3.27Å |
| 296 | K | 97.9 | Very high | 98.2 | Very high | 127 Ų | 127 | 92.8 Ų | 92.8 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.7 | -39.5 | 176.6 | -73.6 | 171.3 | -176.9 | 163.3 | 0 | 112.2 | E292 I293 M299 L300 | E292-K296 WeakPolarHBondContact O-CB 3.36Å; E292-K296 VanDerWaalsContact O-CG 3.3Å; E292-K296 WeakPolarHBondContact O-CG 3.25Å; E292-K296 PolarHBondContact O-N 2.84Å; I293-K296 PolarHBondContact O-N 2.92Å; K296-M299 PolarHBondContact O-N 2.81Å; K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.35Å; K296-L300 PolarHBondContact O-N 2.91Å |
| 297 | L | 98.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 91.9 Ų | 91.9 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -40.3 | 174.7 | -73.6 | 171.5 | 0 | 0 | 0 | 112 | I293 K294 E295 M299 L300 K301 | I293-L297 HydrophobicContact CG2-CD1 3.86Å; I293-L297 HydrophobicContact CG2-CG 4.26Å; I293-L297 WeakPolarHBondContact O-CB 3.28Å; I293-L297 VanDerWaalsContact O-CG 3.25Å; I293-L297 WeakPolarHBondContact O-CG 3.23Å; I293-L297 PolarHBondContact O-N 3.37Å; K294-L297 PolarHBondContact O-N 3.3Å; E295-L297 VanDerWaalsContact C-N 3.3Å; E295-L297 PolarHBondContact O-N 3.41Å; L297-M299 VanDerWaalsContact C-N 3.35Å; L297-L300 PolarHBondContact O-N 2.83Å; L297-K301 WeakPolarHBondContact O-CG 3.35Å; L297-K301 PolarHBondContact O-N 2.87Å |
| 298 | T | 98.3 | Very high | 98.1 | Very high | 92 Ų | 92 | 92.5 Ų | 92.5 | 56% | 0.564 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 174.8 | 57 | 0 | 0 | 0 | 0 | 112.1 | K294 E295 K301 G302 | K294-T298 WeakPolarHBondContact O-CG2 3.37Å; K294-T298 PolarHBondContact O-N 2.96Å; K294-T298 PolarHBondContact O-OG1 3.22Å; E295-T298 WeakPolarHBondContact CA-OG1 3.42Å; E295-T298 PolarHBondContact O-N 3.46Å; E295-T298 VanDerWaalsContact O-N 3.1Å; E295-T298 PolarHBondContact O-OG1 3.22Å; T298-K301 PolarHBondContact O-N 2.95Å; T298-G302 PolarHBondContact O-N 2.93Å |
| 299 | M | 98.3 | Very high | 98 | Very high | 133 Ų | 133 | 97 Ų | 97 | 66% | 0.655 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.4 | -69.8 | -62.9 | -63.6 | 0 | 0 | 111.7 | E295 K296 L297 G302 V303 | E295-M299 WeakPolarHBondContact O-CG 3.4Å; E295-M299 PolarHBondContact O-N 3.27Å; K296-M299 PolarHBondContact O-N 2.81Å; L297-M299 VanDerWaalsContact C-N 3.35Å; M299-G302 PolarHBondContact O-N 2.86Å; M299-V303 WeakPolarHBondContact O-CG2 3.15Å; M299-V303 PolarHBondContact O-N 2.8Å |
| 300 | L | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 97.5 Ų | 97.5 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 176.1 | -75.6 | 172.1 | 0 | 0 | 0 | 111.6 | K296 L297 G302 V303 E304 | K296-L300 WeakPolarHBondContact O-CB 3.31Å; K296-L300 WeakPolarHBondContact O-CG 3.35Å; K296-L300 PolarHBondContact O-N 2.91Å; L297-L300 PolarHBondContact O-N 2.83Å; L300-G302 VanDerWaalsContact C-N 3.26Å; L300-G302 PolarHBondContact O-N 2.83Å; L300-V303 PolarHBondContact O-N 2.86Å; L300-V303 VanDerWaalsContact O-N 3.1Å; L300-E304 WeakPolarHBondContact O-CB 3.49Å; L300-E304 VanDerWaalsContact O-CG 3.32Å; L300-E304 WeakPolarHBondContact O-CG 3.46Å; L300-E304 PolarHBondContact O-N 2.79Å |
| 301 | K | 98.1 | Very high | 97.8 | Very high | 143 Ų | 143 | 99.3 Ų | 99.3 | 62% | 0.622 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -58.5 | -38.6 | 175.2 | -73.6 | 176.5 | -179.7 | -175.5 | 0 | 112.6 | L297 T298 A305 | L297-K301 WeakPolarHBondContact O-CG 3.35Å; L297-K301 PolarHBondContact O-N 2.87Å; T298-K301 PolarHBondContact O-N 2.95Å; K301-A305 WeakPolarHBondContact O-CB 3.45Å; K301-A305 PolarHBondContact O-N 3.33Å |
| 302 | G | 98.2 | Very high | 97.8 | Very high | 47 Ų | 47 | 97.4 Ų | 97.4 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | T298 M299 L300 G306 | T298-G302 PolarHBondContact O-N 2.93Å; M299-G302 PolarHBondContact O-N 2.86Å; L300-G302 VanDerWaalsContact C-N 3.26Å; L300-G302 PolarHBondContact O-N 2.83Å; G302-G306 PolarHBondContact O-N 2.77Å |
| 303 | V | 97.9 | Very high | 97.6 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.3 | -41.4 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | M299 L300 G306 L307 | M299-V303 WeakPolarHBondContact O-CG2 3.15Å; M299-V303 PolarHBondContact O-N 2.8Å; L300-V303 PolarHBondContact O-N 2.86Å; L300-V303 VanDerWaalsContact O-N 3.1Å; V303-G306 PolarHBondContact O-N 2.86Å; V303-L307 HydrophobicContact CG1-CD1 4.2Å; V303-L307 WeakPolarHBondContact O-CG 3.31Å; V303-L307 PolarHBondContact O-N 3.37Å |
| 304 | E | 97.8 | Very high | 97.5 | Very high | 107 Ų | 107 | 98.1 Ų | 98.1 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -49.1 | 175.8 | -74.7 | 169.6 | 176.6 | 0 | 0 | 111.1 | L300 G306 L307 E308 | L300-E304 WeakPolarHBondContact O-CB 3.49Å; L300-E304 VanDerWaalsContact O-CG 3.32Å; L300-E304 WeakPolarHBondContact O-CG 3.46Å; L300-E304 PolarHBondContact O-N 2.79Å; E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.47Å; E304-L307 PolarHBondContact O-N 3.34Å; E304-L307 VanDerWaalsContact O-N 3.17Å; E304-E308 WeakPolarHBondContact O-CG 3.44Å; E304-E308 PolarHBondContact O-N 2.87Å |
| 305 | A | 97.8 | Very high | 97.4 | Very high | 43 Ų | 43 | 97.7 Ų | 97.7 | 36% | 0.355 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.7 | -42.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | K301 L307 E308 E309 | K301-A305 WeakPolarHBondContact O-CB 3.45Å; K301-A305 PolarHBondContact O-N 3.33Å; A305-L307 PolarHBondContact O-N 2.82Å; A305-E308 PolarHBondContact O-N 2.85Å; A305-E309 WeakPolarHBondContact O-CG 3.37Å; A305-E309 PolarHBondContact O-N 2.92Å |
| 306 | G | 97.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 98.9 Ų | 98.9 | 35% | 0.351 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G302 V303 E304 E310 | G302-G306 PolarHBondContact O-N 2.77Å; V303-G306 PolarHBondContact O-N 2.86Å; E304-G306 VanDerWaalsContact C-N 3.32Å; E304-G306 PolarHBondContact O-N 3.47Å; G306-E310 WeakPolarHBondContact O-CB 3.38Å; G306-E310 PolarHBondContact O-N 2.97Å |
| 307 | L | 97.2 | Very high | 97.1 | Very high | 84 Ų | 84 | 98.6 Ų | 98.6 | 44% | 0.44 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 175.1 | -75.5 | 171.4 | 0 | 0 | 0 | 112.2 | V303 E304 A305 E310 K311 | V303-L307 HydrophobicContact CG1-CD1 4.2Å; V303-L307 WeakPolarHBondContact O-CG 3.31Å; V303-L307 PolarHBondContact O-N 3.37Å; E304-L307 PolarHBondContact O-N 3.34Å; E304-L307 VanDerWaalsContact O-N 3.17Å; A305-L307 PolarHBondContact O-N 2.82Å; L307-E310 PolarHBondContact O-N 3.31Å; L307-K311 WeakPolarHBondContact O-CB 3.48Å; L307-K311 VanDerWaalsContact O-CG 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.3Å; L307-K311 PolarHBondContact O-N 3.39Å |
| 308 | E | 96.9 | Very high | 97 | Very high | 132 Ų | 132 | 100.4 Ų | 100.4 | 62% | 0.617 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.8 | -44 | 174.9 | -73.2 | 178.9 | 175.7 | 0 | 0 | 111.7 | E304 A305 E310 K311 L312 | E304-E308 WeakPolarHBondContact O-CG 3.44Å; E304-E308 PolarHBondContact O-N 2.87Å; A305-E308 PolarHBondContact O-N 2.85Å; E308-E310 VanDerWaalsContact C-N 3.34Å; E308-E310 PolarHBondContact O-N 2.9Å; E308-K311 PolarHBondContact O-N 3.35Å; E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 PolarHBondContact O-N 3.37Å |
| 309 | E | 96.8 | Very high | 96.8 | Very high | 125 Ų | 125 | 100.3 Ų | 100.3 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.1 | -44.4 | 173.9 | -73.2 | 176.3 | -175.3 | 0 | 0 | 111.5 | A305 L312 Q313 | A305-E309 WeakPolarHBondContact O-CG 3.37Å; A305-E309 PolarHBondContact O-N 2.92Å; E309-L312 PolarHBondContact O-N 3.25Å; E309-Q313 WeakPolarHBondContact O-CB 3.18Å; E309-Q313 VanDerWaalsContact O-CG 3.26Å; E309-Q313 WeakPolarHBondContact O-CG 3.39Å; E309-Q313 PolarHBondContact O-N 3.49Å |
| 310 | E | 95.8 | Very high | 96.7 | Very high | 76 Ų | 76 | 100.1 Ų | 100.1 | 36% | 0.355 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -38.9 | 178.8 | -158.2 | -164.1 | -169.9 | 0 | 0 | 112.1 | G306 L307 E308 Q313 R314 | G306-E310 WeakPolarHBondContact O-CB 3.38Å; G306-E310 PolarHBondContact O-N 2.97Å; L307-E310 PolarHBondContact O-N 3.31Å; E308-E310 VanDerWaalsContact C-N 3.34Å; E308-E310 PolarHBondContact O-N 2.9Å; E310-Q313 PolarHBondContact O-N 2.89Å; E310-R314 VanDerWaalsContact CG-NH1 3.26Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 2.95Å; E310-R314 IonicContact OE1-CZ 3.18Å; E310-R314 IonicContact OE1-NH1 3.32Å; E310-R314 PolarHBondContact OE1-NH1 3.14Å; E310-R314 IonicContact OE1-NH2 2.75Å; E310-R314 PolarHBondContact OE1-NH2 3.44Å; E310-R314 IonicContact OE2-CZ 3.38Å; E310-R314 IonicContact OE2-NH1 2.63Å; E310-R314 PolarHBondContact OE2-NH1 2.96Å; E310-R314 IonicContact OE2-NH2 3.76Å; E310-R314 PolarHBondContact OE2-NH2 2.79Å |
| 311 | K | 96.6 | Very high | 96.5 | Very high | 125 Ų | 125 | 103.9 Ų | 103.9 | 54% | 0.543 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -48.7 | 172.8 | -77.1 | 171.7 | -177.4 | 177 | 0 | 111.3 | L307 E308 Q313 R314 E315 | L307-K311 WeakPolarHBondContact O-CB 3.48Å; L307-K311 VanDerWaalsContact O-CG 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.3Å; L307-K311 PolarHBondContact O-N 3.39Å; E308-K311 PolarHBondContact O-N 3.35Å; K311-Q313 VanDerWaalsContact C-N 3.26Å; K311-Q313 PolarHBondContact O-N 3.26Å; K311-R314 WeakPolarHBondContact O-CB 3.44Å; K311-R314 PolarHBondContact O-N 2.87Å; K311-R314 VanDerWaalsContact O-N 3.09Å; K311-E315 WeakPolarHBondContact O-CG 3.2Å; K311-E315 PolarHBondContact O-N 3.29Å |
| 312 | L | 96.9 | Very high | 96.4 | Very high | 75 Ų | 75 | 100.1 Ų | 100.1 | 39% | 0.393 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.2 | -36.4 | 178.3 | -174 | 64.7 | 0 | 0 | 0 | 111.6 | E308 E309 R316 | E308-L312 WeakPolarHBondContact O-CB 3.37Å; E308-L312 PolarHBondContact O-N 3.37Å; E309-L312 PolarHBondContact O-N 3.25Å; L312-R316 WeakPolarHBondContact O-CB 3.09Å; L312-R316 WeakPolarHBondContact O-CD 3.21Å; L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.75Å |
| 313 | Q | 96.1 | Very high | 96.2 | Very high | 99 Ų | 99 | 101.3 Ų | 101.3 | 46% | 0.463 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.8 | -43.8 | 172.5 | -75.1 | 176.1 | 16.1 | 0 | 0 | 112.1 | E309 E310 K311 R316 Q317 | E309-Q313 WeakPolarHBondContact O-CB 3.18Å; E309-Q313 VanDerWaalsContact O-CG 3.26Å; E309-Q313 WeakPolarHBondContact O-CG 3.39Å; E309-Q313 PolarHBondContact O-N 3.49Å; E310-Q313 PolarHBondContact O-N 2.89Å; K311-Q313 VanDerWaalsContact C-N 3.26Å; K311-Q313 PolarHBondContact O-N 3.26Å; Q313-R316 PolarHBondContact O-N 3.17Å; Q313-Q317 WeakPolarHBondContact O-CG 3.26Å; Q313-Q317 PolarHBondContact O-N 3.49Å |
| 314 | R | 95.6 | Very high | 96.2 | Very high | 115 Ų | 115 | 101.8 Ų | 101.8 | 43% | 0.434 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 175.3 | -73.6 | -176.5 | -177.3 | 98.2 | 1.9 | 111.9 | E310 K311 R316 Q317 E318 | E310-R314 VanDerWaalsContact CG-NH1 3.26Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 2.95Å; E310-R314 IonicContact OE1-CZ 3.18Å; E310-R314 IonicContact OE1-NH1 3.32Å; E310-R314 PolarHBondContact OE1-NH1 3.14Å; E310-R314 IonicContact OE1-NH2 2.75Å; E310-R314 PolarHBondContact OE1-NH2 3.44Å; E310-R314 IonicContact OE2-CZ 3.38Å; E310-R314 IonicContact OE2-NH1 2.63Å; E310-R314 PolarHBondContact OE2-NH1 2.96Å; E310-R314 IonicContact OE2-NH2 3.76Å; E310-R314 PolarHBondContact OE2-NH2 2.79Å; K311-R314 WeakPolarHBondContact O-CB 3.44Å; K311-R314 PolarHBondContact O-N 2.87Å; K311-R314 VanDerWaalsContact O-N 3.09Å; R314-R316 VanDerWaalsContact C-N 3.29Å; R314-R316 PolarHBondContact O-N 3.24Å; R314-Q317 WeakPolarHBondContact O-CB 3.41Å; R314-Q317 PolarHBondContact O-N 2.86Å; R314-Q317 VanDerWaalsContact O-N 3.08Å; R314-E318 WeakPolarHBondContact O-CG 3.45Å; R314-E318 PolarHBondContact O-N 3.23Å |
| 315 | E | 95.7 | Very high | 96.1 | Very high | 113 Ų | 113 | 98.5 Ų | 98.5 | 53% | 0.528 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.8 | -39.9 | 176.3 | -71.7 | 177.3 | 176.2 | 0 | 0 | 111.8 | K311 E318 T319 | K311-E315 WeakPolarHBondContact O-CG 3.2Å; K311-E315 PolarHBondContact O-N 3.29Å; E315-E318 PolarHBondContact O-N 2.78Å; E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 VanDerWaalsContact O-CG2 3.3Å; E315-T319 WeakPolarHBondContact O-CG2 3.31Å; E315-T319 PolarHBondContact O-N 3.43Å; E315-T319 PolarHBondContact O-OG1 3.34Å |
| 316 | R | 95.8 | Very high | 96 | Very high | 138 Ų | 138 | 101.8 Ų | 101.8 | 52% | 0.521 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 173.3 | -74.3 | 168.9 | -176.7 | 172.8 | 2 | 112.3 | L312 Q313 R314 T319 Q320 | L312-R316 WeakPolarHBondContact O-CB 3.09Å; L312-R316 WeakPolarHBondContact O-CD 3.21Å; L312-R316 WeakPolarHBondContact O-CG 3.2Å; L312-R316 PolarHBondContact O-N 2.75Å; Q313-R316 PolarHBondContact O-N 3.17Å; R314-R316 VanDerWaalsContact C-N 3.29Å; R314-R316 PolarHBondContact O-N 3.24Å; R316-T319 VanDerWaalsContact CA-OG1 3.31Å; R316-T319 WeakPolarHBondContact CA-OG1 3.45Å; R316-T319 PolarHBondContact O-OG1 2.9Å; R316-Q320 WeakPolarHBondContact O-CB 3.49Å; R316-Q320 WeakPolarHBondContact O-CG 3.48Å; R316-Q320 PolarHBondContact O-N 2.83Å |
| 317 | Q | 95.3 | Very high | 96 | Very high | 121 Ų | 121 | 102.4 Ų | 102.4 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.6 | -41.3 | 176.3 | -72.4 | 173.9 | 12.7 | 0 | 0 | 111.6 | Q313 R314 Q320 W321 | Q313-Q317 WeakPolarHBondContact O-CG 3.26Å; Q313-Q317 PolarHBondContact O-N 3.49Å; R314-Q317 WeakPolarHBondContact O-CB 3.41Å; R314-Q317 PolarHBondContact O-N 2.86Å; R314-Q317 VanDerWaalsContact O-N 3.08Å; Q317-Q320 PolarHBondContact O-N 3.22Å; Q317-W321 WeakPolarHBondContact O-CB 3.36Å; Q317-W321 PolarHBondContact O-N 2.92Å |
| 318 | E | 95.1 | Very high | 96 | Very high | 127 Ų | 127 | 105.9 Ų | 105.9 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.6 | -46.2 | 176.5 | -74 | 179.9 | 179.6 | 0 | 0 | 111.5 | R314 E315 Q320 W321 V322 | R314-E318 WeakPolarHBondContact O-CG 3.45Å; R314-E318 PolarHBondContact O-N 3.23Å; E315-E318 PolarHBondContact O-N 2.78Å; E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.1Å; E318-W321 PolarHBondContact O-N 3.27Å; E318-W321 VanDerWaalsContact O-N 3.16Å; E318-V322 VanDerWaalsContact O-CG2 3.32Å; E318-V322 WeakPolarHBondContact O-CG2 3.46Å; E318-V322 PolarHBondContact O-N 2.89Å |
| 319 | T | 95.6 | Very high | 96 | Very high | 90 Ų | 90 | 101.7 Ų | 101.7 | 55% | 0.552 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -39.3 | 175.6 | 49.4 | 0 | 0 | 0 | 0 | 112.1 | E315 R316 V322 S323 | E315-T319 WeakPolarHBondContact O-CB 3.36Å; E315-T319 VanDerWaalsContact O-CG2 3.3Å; E315-T319 WeakPolarHBondContact O-CG2 3.31Å; E315-T319 PolarHBondContact O-N 3.43Å; E315-T319 PolarHBondContact O-OG1 3.34Å; R316-T319 VanDerWaalsContact CA-OG1 3.31Å; R316-T319 WeakPolarHBondContact CA-OG1 3.45Å; R316-T319 PolarHBondContact O-OG1 2.9Å; T319-V322 PolarHBondContact O-N 3.47Å; T319-S323 WeakPolarHBondContact O-CB 3.41Å; T319-S323 PolarHBondContact O-N 3.4Å |
| 320 | Q | 95.3 | Very high | 96 | Very high | 130 Ų | 130 | 101 Ų | 101 | 61% | 0.607 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 171.4 | -75.1 | 171.1 | 14.8 | 0 | 0 | 111.8 | R316 Q317 E318 S323 E324 | R316-Q320 WeakPolarHBondContact O-CB 3.49Å; R316-Q320 WeakPolarHBondContact O-CG 3.48Å; R316-Q320 PolarHBondContact O-N 2.83Å; Q317-Q320 PolarHBondContact O-N 3.22Å; E318-Q320 VanDerWaalsContact C-N 3.32Å; E318-Q320 PolarHBondContact O-N 3.1Å; Q320-S323 PolarHBondContact O-N 3Å; Q320-E324 WeakPolarHBondContact O-CB 3.49Å; Q320-E324 PolarHBondContact O-N 3.2Å |
| 321 | W | 94.5 | Very high | 96.1 | Very high | 173 Ų | 173 | 102 Ų | 102 | 66% | 0.655 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.5 | -42 | 177.9 | 178.3 | 86.2 | 0 | 0 | 0 | 112.2 | Q317 E318 E324 A325 | Q317-W321 WeakPolarHBondContact O-CB 3.36Å; Q317-W321 PolarHBondContact O-N 2.92Å; E318-W321 PolarHBondContact O-N 3.27Å; E318-W321 VanDerWaalsContact O-N 3.16Å; W321-E324 PolarHBondContact O-N 3.05Å; W321-A325 WeakPolarHBondContact O-CB 2.83Å; W321-A325 PolarHBondContact O-N 3.39Å |
| 322 | V | 96 | Very high | 96.2 | Very high | 64 Ų | 64 | 101.5 Ų | 101.5 | 39% | 0.388 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.7 | -45.6 | 174.5 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | E318 T319 E324 A325 E326 | E318-V322 VanDerWaalsContact O-CG2 3.32Å; E318-V322 WeakPolarHBondContact O-CG2 3.46Å; E318-V322 PolarHBondContact O-N 2.89Å; T319-V322 PolarHBondContact O-N 3.47Å; V322-E324 VanDerWaalsContact C-N 3.31Å; V322-E324 PolarHBondContact O-N 2.91Å; V322-A325 PolarHBondContact O-N 2.89Å; V322-E326 HydrophobicContact CG1-CG 4.39Å; V322-E326 WeakPolarHBondContact O-CB 3.37Å; V322-E326 WeakPolarHBondContact O-CG 3.41Å; V322-E326 PolarHBondContact O-N 3.44Å |
| 323 | S | 94.8 | Very high | 96.2 | Very high | 71 Ų | 71 | 104.8 Ų | 104.8 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -41.1 | 176 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | T319 Q320 E326 A327 | T319-S323 WeakPolarHBondContact O-CB 3.41Å; T319-S323 PolarHBondContact O-N 3.4Å; Q320-S323 PolarHBondContact O-N 3Å; S323-E326 PolarHBondContact O-N 3.18Å; S323-A327 WeakPolarHBondContact O-CB 3.39Å; S323-A327 PolarHBondContact O-N 3.34Å |
| 324 | E | 96.6 | Very high | 96.3 | Very high | 95 Ų | 95 | 104.4 Ų | 104.4 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -42.2 | 175.2 | -165 | -171.1 | 161.9 | 0 | 0 | 111.7 | Q320 W321 V322 A327 R328 | Q320-E324 WeakPolarHBondContact O-CB 3.49Å; Q320-E324 PolarHBondContact O-N 3.2Å; W321-E324 PolarHBondContact O-N 3.05Å; V322-E324 VanDerWaalsContact C-N 3.31Å; V322-E324 PolarHBondContact O-N 2.91Å; E324-A327 PolarHBondContact O-N 3.33Å; E324-R328 WeakPolarHBondContact O-CB 3.25Å; E324-R328 WeakPolarHBondContact O-CG 3.35Å; E324-R328 PolarHBondContact O-N 2.9Å; E324-R328 IonicContact OE1-CZ 3.22Å; E324-R328 IonicContact OE1-NE 2.98Å; E324-R328 PolarHBondContact OE1-NE 3.37Å; E324-R328 IonicContact OE1-NH2 2.65Å; E324-R328 PolarHBondContact OE1-NH2 2.77Å |
| 325 | A | 96.1 | Very high | 96.4 | Very high | 38 Ų | 38 | 104.5 Ų | 104.5 | 31% | 0.314 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W321 V322 R328 A329 | W321-A325 WeakPolarHBondContact O-CB 2.83Å; W321-A325 PolarHBondContact O-N 3.39Å; V322-A325 PolarHBondContact O-N 2.89Å; A325-R328 PolarHBondContact O-N 3.17Å; A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.39Å |
| 326 | E | 96.3 | Very high | 96.5 | Very high | 113 Ų | 113 | 102 Ų | 102 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -44.8 | 174.5 | -74.8 | 179.3 | -179.8 | 0 | 0 | 111.9 | V322 S323 R328 A329 Q330 | V322-E326 HydrophobicContact CG1-CG 4.39Å; V322-E326 WeakPolarHBondContact O-CB 3.37Å; V322-E326 WeakPolarHBondContact O-CG 3.41Å; V322-E326 PolarHBondContact O-N 3.44Å; S323-E326 PolarHBondContact O-N 3.18Å; E326-R328 PolarHBondContact O-N 2.84Å; E326-A329 PolarHBondContact O-N 2.84Å; E326-Q330 WeakPolarHBondContact O-CG 3.24Å; E326-Q330 PolarHBondContact O-N 3.31Å |
| 327 | A | 96.4 | Very high | 96.6 | Very high | 47 Ų | 47 | 101 Ų | 101 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S323 E324 A329 Q330 V331 | S323-A327 WeakPolarHBondContact O-CB 3.39Å; S323-A327 PolarHBondContact O-N 3.34Å; E324-A327 PolarHBondContact O-N 3.33Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.1Å; A327-Q330 WeakPolarHBondContact O-CB 3.47Å; A327-Q330 PolarHBondContact O-N 3.41Å; A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.45Å |
| 328 | R | 97.4 | Very high | 96.8 | Very high | 157 Ų | 157 | 100.4 Ų | 100.4 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 174.2 | -72.7 | 167 | 177.3 | -118.2 | 5.7 | 111.5 | E324 A325 E326 V331 L332 | E324-R328 WeakPolarHBondContact O-CB 3.25Å; E324-R328 WeakPolarHBondContact O-CG 3.35Å; E324-R328 PolarHBondContact O-N 2.9Å; E324-R328 IonicContact OE1-CZ 3.22Å; E324-R328 IonicContact OE1-NE 2.98Å; E324-R328 PolarHBondContact OE1-NE 3.37Å; E324-R328 IonicContact OE1-NH2 2.65Å; E324-R328 PolarHBondContact OE1-NH2 2.77Å; A325-R328 PolarHBondContact O-N 3.17Å; E326-R328 PolarHBondContact O-N 2.84Å; R328-V331 PolarHBondContact O-N 3.13Å; R328-L332 WeakPolarHBondContact O-CG 3.5Å; R328-L332 PolarHBondContact O-N 2.92Å |
| 329 | A | 97.4 | Very high | 96.9 | Very high | 44 Ų | 44 | 99.4 Ų | 99.4 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A325 E326 A327 L332 R333 | A325-A329 WeakPolarHBondContact O-CB 3.38Å; A325-A329 PolarHBondContact O-N 3.39Å; E326-A329 PolarHBondContact O-N 2.84Å; A327-A329 VanDerWaalsContact C-N 3.34Å; A327-A329 PolarHBondContact O-N 3.1Å; A329-L332 PolarHBondContact O-N 3.45Å; A329-R333 WeakPolarHBondContact O-CG 3.43Å; A329-R333 PolarHBondContact O-N 3.15Å |
| 330 | Q | 97.3 | Very high | 97 | Very high | 109 Ų | 109 | 97.1 Ų | 97.1 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -46.1 | 172.1 | -72.1 | 177.1 | 13.3 | 0 | 0 | 111.7 | E326 A327 L332 R333 V334 | E326-Q330 WeakPolarHBondContact O-CG 3.24Å; E326-Q330 PolarHBondContact O-N 3.31Å; A327-Q330 WeakPolarHBondContact O-CB 3.47Å; A327-Q330 PolarHBondContact O-N 3.41Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.3Å; Q330-R333 WeakPolarHBondContact O-CB 3.44Å; Q330-R333 PolarHBondContact O-N 3.16Å; Q330-R333 VanDerWaalsContact O-N 3.15Å; Q330-V334 WeakPolarHBondContact O-CG2 3.22Å; Q330-V334 PolarHBondContact O-N 3.08Å |
| 331 | V | 97.8 | Very high | 97.1 | Very high | 98 Ų | 98 | 96.5 Ų | 96.5 | 59% | 0.594 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.5 | -42.2 | 176.3 | 170.8 | 0 | 0 | 0 | 0 | 111.3 | A327 R328 K335 | A327-V331 WeakPolarHBondContact O-CG2 3.5Å; A327-V331 PolarHBondContact O-N 3.45Å; R328-V331 PolarHBondContact O-N 3.13Å; V331-K335 VanDerWaalsContact O-CB 3.27Å; V331-K335 WeakPolarHBondContact O-CB 3.39Å; V331-K335 PolarHBondContact O-N 2.99Å |
| 332 | L | 98 | Very high | 97.3 | Very high | 115 Ų | 115 | 93.9 Ų | 93.9 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 176.5 | -71 | 176 | 0 | 0 | 0 | 112.6 | R328 A329 Q330 K335 A336 | R328-L332 WeakPolarHBondContact O-CG 3.5Å; R328-L332 PolarHBondContact O-N 2.92Å; A329-L332 PolarHBondContact O-N 3.45Å; Q330-L332 VanDerWaalsContact C-N 3.31Å; Q330-L332 PolarHBondContact O-N 3.3Å; L332-K335 PolarHBondContact O-N 3.3Å; L332-A336 PolarHBondContact O-N 2.93Å |
| 333 | R | 98.1 | Very high | 97.3 | Very high | 143 Ų | 143 | 98.8 Ų | 98.8 | 54% | 0.54 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.6 | -53 | 174.2 | -76.1 | -176.4 | -76 | -165.1 | -3 | 111.6 | A329 Q330 K335 A336 E337 | A329-R333 WeakPolarHBondContact O-CG 3.43Å; A329-R333 PolarHBondContact O-N 3.15Å; Q330-R333 WeakPolarHBondContact O-CB 3.44Å; Q330-R333 PolarHBondContact O-N 3.16Å; Q330-R333 VanDerWaalsContact O-N 3.15Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.81Å; R333-A336 WeakPolarHBondContact O-CB 3.44Å; R333-A336 PolarHBondContact O-N 3.07Å; R333-E337 PolarHBondContact O-N 2.84Å |
| 334 | V | 97.9 | Very high | 97.4 | Very high | 92 Ų | 92 | 100.8 Ų | 100.8 | 56% | 0.558 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.7 | -38.3 | 177.8 | 174.4 | 0 | 0 | 0 | 0 | 111.2 | Q330 A336 E337 L338 | Q330-V334 WeakPolarHBondContact O-CG2 3.22Å; Q330-V334 PolarHBondContact O-N 3.08Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.23Å; V334-E337 PolarHBondContact O-N 2.79Å; V334-L338 WeakPolarHBondContact O-CB 3.4Å; V334-L338 PolarHBondContact O-N 3.12Å |
| 335 | K | 98.1 | Very high | 97.5 | Very high | 117 Ų | 117 | 99 Ų | 99 | 51% | 0.509 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.5 | -173.3 | 176 | -176.4 | 174.9 | 0 | 112.6 | V331 L332 R333 K339 | V331-K335 VanDerWaalsContact O-CB 3.27Å; V331-K335 WeakPolarHBondContact O-CB 3.39Å; V331-K335 PolarHBondContact O-N 2.99Å; L332-K335 PolarHBondContact O-N 3.3Å; R333-K335 VanDerWaalsContact C-N 3.26Å; R333-K335 PolarHBondContact O-N 2.81Å; K335-K339 WeakPolarHBondContact O-CG 3.11Å; K335-K339 PolarHBondContact O-N 2.96Å; K335-K339 VanDerWaalsContact O-N 3.12Å |
| 336 | A | 97.8 | Very high | 97.5 | Very high | 60 Ų | 60 | 101.7 Ų | 101.7 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L332 R333 V334 K339 A340 | L332-A336 PolarHBondContact O-N 2.93Å; R333-A336 WeakPolarHBondContact O-CB 3.44Å; R333-A336 PolarHBondContact O-N 3.07Å; V334-A336 VanDerWaalsContact C-N 3.34Å; V334-A336 PolarHBondContact O-N 3.23Å; A336-K339 PolarHBondContact O-N 3.05Å; A336-A340 PolarHBondContact O-N 3.19Å |
| 337 | E | 97.8 | Very high | 97.6 | Very high | 118 Ų | 118 | 102.5 Ų | 102.5 | 55% | 0.551 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.1 | -45.1 | 174.1 | -70.6 | 171 | -171.2 | 0 | 0 | 111.7 | R333 V334 K339 A340 Q341 | R333-E337 PolarHBondContact O-N 2.84Å; V334-E337 PolarHBondContact O-N 2.79Å; E337-K339 VanDerWaalsContact C-N 3.33Å; E337-K339 PolarHBondContact O-N 3.47Å; E337-A340 WeakPolarHBondContact O-CA 3.33Å; E337-A340 WeakPolarHBondContact O-CB 3.28Å; E337-A340 PolarHBondContact O-N 2.91Å; E337-Q341 WeakPolarHBondContact O-CG 3.17Å; E337-Q341 PolarHBondContact O-N 3.29Å |
| 338 | L | 98.1 | Very high | 97.7 | Very high | 108 Ų | 108 | 105.8 Ų | 105.8 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59 | -43.6 | 176 | -177.4 | 65 | 0 | 0 | 0 | 111.5 | V334 A340 Q341 E342 | V334-L338 WeakPolarHBondContact O-CB 3.4Å; V334-L338 PolarHBondContact O-N 3.12Å; L338-A340 VanDerWaalsContact C-N 3.31Å; L338-A340 PolarHBondContact O-N 3.08Å; L338-Q341 PolarHBondContact O-N 3.42Å; L338-E342 WeakPolarHBondContact O-CB 3.49Å; L338-E342 PolarHBondContact O-N 3.25Å |
| 339 | K | 98.2 | Very high | 97.7 | Very high | 105 Ų | 105 | 102.9 Ų | 102.9 | 46% | 0.457 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 174.7 | -75 | 178 | 176.7 | -172.6 | 0 | 112.7 | K335 A336 E337 R343 | K335-K339 WeakPolarHBondContact O-CG 3.11Å; K335-K339 PolarHBondContact O-N 2.96Å; K335-K339 VanDerWaalsContact O-N 3.12Å; A336-K339 PolarHBondContact O-N 3.05Å; E337-K339 VanDerWaalsContact C-N 3.33Å; E337-K339 PolarHBondContact O-N 3.47Å; K339-R343 VanDerWaalsContact O-CG 3.31Å; K339-R343 WeakPolarHBondContact O-CG 3.22Å; K339-R343 PolarHBondContact O-N 3.43Å; K339-R343 VanDerWaalsContact O-N 3.17Å |
| 340 | A | 97.6 | Very high | 97.7 | Very high | 42 Ų | 42 | 104 Ų | 104 | 35% | 0.347 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -68.7 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A336 E337 L338 R343 Q344 | A336-A340 PolarHBondContact O-N 3.19Å; E337-A340 WeakPolarHBondContact O-CA 3.33Å; E337-A340 WeakPolarHBondContact O-CB 3.28Å; E337-A340 PolarHBondContact O-N 2.91Å; L338-A340 VanDerWaalsContact C-N 3.31Å; L338-A340 PolarHBondContact O-N 3.08Å; A340-R343 PolarHBondContact O-N 3.1Å; A340-Q344 WeakPolarHBondContact O-CG 3.34Å; A340-Q344 PolarHBondContact O-N 2.8Å |
| 341 | Q | 97.1 | Very high | 97.7 | Very high | 118 Ų | 118 | 101.9 Ų | 101.9 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63 | -40.1 | 173.9 | -72.6 | -178.2 | -6.3 | 0 | 0 | 112 | E337 L338 R343 Q344 A345 | E337-Q341 WeakPolarHBondContact O-CG 3.17Å; E337-Q341 PolarHBondContact O-N 3.29Å; L338-Q341 PolarHBondContact O-N 3.42Å; Q341-R343 VanDerWaalsContact C-N 3.34Å; Q341-R343 PolarHBondContact O-N 3.46Å; Q341-Q344 PolarHBondContact O-N 3.21Å; Q341-A345 WeakPolarHBondContact O-CB 3.13Å; Q341-A345 PolarHBondContact O-N 2.63Å |
| 342 | E | 97.8 | Very high | 97.7 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 55% | 0.547 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.8 | -175.1 | 179.5 | -168.3 | 0 | 0 | 111.3 | L338 Q344 A345 I346 | L338-E342 WeakPolarHBondContact O-CB 3.49Å; L338-E342 PolarHBondContact O-N 3.25Å; E342-Q344 PolarHBondContact O-N 3.14Å; E342-A345 PolarHBondContact O-N 3.35Å; E342-I346 HydrophobicContact CG-CD1 4.15Å; E342-I346 VanDerWaalsContact O-CG1 3.28Å; E342-I346 WeakPolarHBondContact O-CG1 3.48Å; E342-I346 PolarHBondContact O-N 3.43Å |
| 343 | R | 97.1 | Very high | 97.7 | Very high | 167 Ų | 167 | 102.1 Ų | 102.1 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -43 | 174.5 | -68.5 | 166.8 | -174.3 | 165.4 | -0.3 | 112.1 | K339 A340 Q341 I346 Q347 | K339-R343 VanDerWaalsContact O-CG 3.31Å; K339-R343 WeakPolarHBondContact O-CG 3.22Å; K339-R343 PolarHBondContact O-N 3.43Å; K339-R343 VanDerWaalsContact O-N 3.17Å; A340-R343 PolarHBondContact O-N 3.1Å; Q341-R343 VanDerWaalsContact C-N 3.34Å; Q341-R343 PolarHBondContact O-N 3.46Å; R343-I346 PolarHBondContact O-N 2.76Å; R343-Q347 WeakPolarHBondContact O-CG 3Å; R343-Q347 PolarHBondContact O-N 3.36Å |
| 344 | Q | 97 | Very high | 97.6 | Very high | 114 Ų | 114 | 97.3 Ų | 97.3 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -41.4 | 176 | -71.5 | 176.1 | -10.6 | 0 | 0 | 111.6 | A340 Q341 E342 Q347 L348 | A340-Q344 WeakPolarHBondContact O-CG 3.34Å; A340-Q344 PolarHBondContact O-N 2.8Å; Q341-Q344 PolarHBondContact O-N 3.21Å; E342-Q344 PolarHBondContact O-N 3.14Å; Q344-Q347 WeakPolarHBondContact O-CB 3.37Å; Q344-Q347 PolarHBondContact O-N 3.43Å; Q344-L348 WeakPolarHBondContact O-CG 3.46Å; Q344-L348 PolarHBondContact O-N 3.06Å |
| 345 | A | 97.5 | Very high | 97.6 | Very high | 56 Ų | 56 | 96.9 Ų | 96.9 | 46% | 0.463 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q341 E342 Q347 L348 E349 | Q341-A345 WeakPolarHBondContact O-CB 3.13Å; Q341-A345 PolarHBondContact O-N 2.63Å; E342-A345 PolarHBondContact O-N 3.35Å; A345-Q347 VanDerWaalsContact C-N 3.34Å; A345-Q347 PolarHBondContact O-N 3.25Å; A345-L348 PolarHBondContact O-N 3.1Å; A345-E349 WeakPolarHBondContact O-CB 3.32Å; A345-E349 PolarHBondContact O-N 3.08Å |
| 346 | I | 97.9 | Very high | 97.6 | Very high | 96 Ų | 96 | 96.1 Ų | 96.1 | 49% | 0.492 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 174.9 | -66.8 | 163.8 | 0 | 0 | 0 | 111.1 | E342 R343 E349 S350 | E342-I346 HydrophobicContact CG-CD1 4.15Å; E342-I346 VanDerWaalsContact O-CG1 3.28Å; E342-I346 WeakPolarHBondContact O-CG1 3.48Å; E342-I346 PolarHBondContact O-N 3.43Å; R343-I346 PolarHBondContact O-N 2.76Å; I346-E349 PolarHBondContact O-N 3.45Å; I346-S350 PolarHBondContact O-N 3.14Å |
| 347 | Q | 97.9 | Very high | 97.6 | Very high | 129 Ų | 129 | 100.9 Ų | 100.9 | 60% | 0.603 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -47.8 | 175.7 | -75.7 | 176.1 | -16.6 | 0 | 0 | 111.7 | R343 Q344 A345 S350 S351 | R343-Q347 WeakPolarHBondContact O-CG 3Å; R343-Q347 PolarHBondContact O-N 3.36Å; Q344-Q347 WeakPolarHBondContact O-CB 3.37Å; Q344-Q347 PolarHBondContact O-N 3.43Å; A345-Q347 VanDerWaalsContact C-N 3.34Å; A345-Q347 PolarHBondContact O-N 3.25Å; Q347-S350 PolarHBondContact O-N 2.85Å; Q347-S350 PolarHBondContact O-OG 3.21Å; Q347-S351 PolarHBondContact O-N 2.7Å |
| 348 | L | 97.5 | Very high | 97.5 | Very high | 117 Ų | 117 | 98.3 Ų | 98.3 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.2 | -42.3 | 176.1 | -71.5 | 174.1 | 0 | 0 | 0 | 111.7 | Q344 A345 S350 S351 C352 | Q344-L348 WeakPolarHBondContact O-CG 3.46Å; Q344-L348 PolarHBondContact O-N 3.06Å; A345-L348 PolarHBondContact O-N 3.1Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 3.4Å; L348-S351 WeakPolarHBondContact O-CB 3.31Å; L348-S351 PolarHBondContact O-N 2.82Å; L348-S351 VanDerWaalsContact O-N 3.13Å; L348-C352 PolarHBondContact O-N 3.46Å; L348-C352 PolarHBondContact O-SG 3.47Å; L348-C352 VanDerWaalsContact O-SG 3.38Å |
| 349 | E | 97.9 | Very high | 97.5 | Very high | 95 Ų | 95 | 98.5 Ų | 98.5 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 176.6 | -167.8 | -174.1 | 172.2 | 0 | 0 | 111.3 | A345 I346 S351 C352 R353 | A345-E349 WeakPolarHBondContact O-CB 3.32Å; A345-E349 PolarHBondContact O-N 3.08Å; I346-E349 PolarHBondContact O-N 3.45Å; E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 2.64Å; E349-C352 PolarHBondContact O-N 3.35Å; E349-R353 WeakPolarHBondContact O-CB 3.4Å; E349-R353 VanDerWaalsContact O-CG 3.27Å; E349-R353 WeakPolarHBondContact O-CG 3.44Å; E349-R353 PolarHBondContact O-N 3.01Å; E349-R353 IonicContact OE1-CZ 3.37Å; E349-R353 IonicContact OE1-NE 3.35Å; E349-R353 PolarHBondContact OE1-NE 2.85Å; E349-R353 IonicContact OE1-NH2 2.67Å; E349-R353 PolarHBondContact OE1-NH2 3.02Å |
| 350 | S | 97.6 | Very high | 97.4 | Very high | 68 Ų | 68 | 95.1 Ų | 95.1 | 48% | 0.476 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -36.2 | 175.5 | 78.3 | 0 | 0 | 0 | 0 | 112.8 | I346 Q347 L348 A354 | I346-S350 PolarHBondContact O-N 3.14Å; Q347-S350 PolarHBondContact O-N 2.85Å; Q347-S350 PolarHBondContact O-OG 3.21Å; L348-S350 VanDerWaalsContact C-N 3.33Å; L348-S350 PolarHBondContact O-N 3.4Å; S350-A354 PolarHBondContact O-N 3.37Å |
| 351 | S | 97.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -48.7 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 111.2 | Q347 L348 E349 R353 A354 V355 | Q347-S351 PolarHBondContact O-N 2.7Å; L348-S351 WeakPolarHBondContact O-CB 3.31Å; L348-S351 PolarHBondContact O-N 2.82Å; L348-S351 VanDerWaalsContact O-N 3.13Å; E349-S351 VanDerWaalsContact C-N 3.3Å; E349-S351 PolarHBondContact O-N 2.64Å; S351-R353 VanDerWaalsContact C-N 3.34Å; S351-R353 PolarHBondContact O-N 2.78Å; S351-A354 WeakPolarHBondContact O-CA 3.4Å; S351-A354 WeakPolarHBondContact O-CB 3.17Å; S351-A354 PolarHBondContact O-N 3.04Å; S351-V355 WeakPolarHBondContact O-CG2 3.42Å; S351-V355 PolarHBondContact O-N 3.48Å |
| 352 | C | 96.9 | Very high | 97.3 | Very high | 73 Ų | 73 | 96.2 Ų | 96.2 | 49% | 0.493 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -55 | -48.8 | 173.4 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | L348 E349 A354 V355 D356 | L348-C352 PolarHBondContact O-N 3.46Å; L348-C352 PolarHBondContact O-SG 3.47Å; L348-C352 VanDerWaalsContact O-SG 3.38Å; E349-C352 PolarHBondContact O-N 3.35Å; C352-A354 PolarHBondContact O-N 2.84Å; C352-V355 CarbonylContact O-C 3.49Å; C352-V355 PolarHBondContact O-N 2.67Å; C352-V355 VanDerWaalsContact O-N 3.07Å; C352-D356 VanDerWaalsContact O-CG 3.32Å; C352-D356 PolarHBondContact O-N 3.4Å |
| 353 | R | 97.6 | Very high | 97.3 | Very high | 145 Ų | 145 | 93.3 Ų | 93.3 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -28.8 | 175.5 | -71.3 | 177.3 | -174 | -163.2 | 4.1 | 113.3 | E349 S351 R357 | E349-R353 WeakPolarHBondContact O-CB 3.4Å; E349-R353 VanDerWaalsContact O-CG 3.27Å; E349-R353 WeakPolarHBondContact O-CG 3.44Å; E349-R353 PolarHBondContact O-N 3.01Å; E349-R353 IonicContact OE1-CZ 3.37Å; E349-R353 IonicContact OE1-NE 3.35Å; E349-R353 PolarHBondContact OE1-NE 2.85Å; E349-R353 IonicContact OE1-NH2 2.67Å; E349-R353 PolarHBondContact OE1-NH2 3.02Å; S351-R353 VanDerWaalsContact C-N 3.34Å; S351-R353 PolarHBondContact O-N 2.78Å; R353-R357 WeakPolarHBondContact O-CG 3.13Å; R353-R357 PolarHBondContact O-N 3.27Å; R353-R357 PolarHBondContact O-NE 3.49Å |
| 354 | A | 97.4 | Very high | 97.3 | Very high | 42 Ų | 42 | 91.8 Ų | 91.8 | 35% | 0.347 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75.1 | -41.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S350 S351 C352 R357 S358 | S350-A354 PolarHBondContact O-N 3.37Å; S351-A354 WeakPolarHBondContact O-CA 3.4Å; S351-A354 WeakPolarHBondContact O-CB 3.17Å; S351-A354 PolarHBondContact O-N 3.04Å; C352-A354 PolarHBondContact O-N 2.84Å; A354-R357 PolarHBondContact O-N 3.4Å; A354-S358 PolarHBondContact O-N 2.87Å |
| 355 | V | 97.8 | Very high | 97.3 | Very high | 82 Ų | 82 | 93 Ų | 93 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 173.4 | 178.3 | 0 | 0 | 0 | 0 | 111.4 | S351 C352 R357 S358 L359 | S351-V355 WeakPolarHBondContact O-CG2 3.42Å; S351-V355 PolarHBondContact O-N 3.48Å; C352-V355 CarbonylContact O-C 3.49Å; C352-V355 PolarHBondContact O-N 2.67Å; C352-V355 VanDerWaalsContact O-N 3.07Å; V355-R357 VanDerWaalsContact C-N 3.28Å; V355-R357 PolarHBondContact O-N 2.74Å; V355-S358 PolarHBondContact O-N 3.25Å; V355-S358 PolarHBondContact O-OG 2.6Å; V355-L359 VanDerWaalsContact O-CB 3.27Å; V355-L359 WeakPolarHBondContact O-CB 3.3Å; V355-L359 PolarHBondContact O-N 3.49Å |
| 356 | D | 96.9 | Very high | 97.2 | Very high | 102 Ų | 102 | 96 Ų | 96 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 176 | -69 | -34.2 | 0 | 0 | 0 | 111.6 | C352 G360 | C352-D356 VanDerWaalsContact O-CG 3.32Å; C352-D356 PolarHBondContact O-N 3.4Å; D356-G360 PolarHBondContact O-N 2.77Å |
| 357 | R | 97.3 | Very high | 97.1 | Very high | 160 Ų | 160 | 96.6 Ų | 96.6 | 60% | 0.604 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.4 | -44.3 | 174.2 | -79.1 | 178.5 | -79.3 | 149 | -7.9 | 112.1 | R353 A354 V355 G360 Q361 | R353-R357 WeakPolarHBondContact O-CG 3.13Å; R353-R357 PolarHBondContact O-N 3.27Å; R353-R357 PolarHBondContact O-NE 3.49Å; A354-R357 PolarHBondContact O-N 3.4Å; V355-R357 VanDerWaalsContact C-N 3.28Å; V355-R357 PolarHBondContact O-N 2.74Å; R357-G360 PolarHBondContact O-N 3.02Å; R357-Q361 WeakPolarHBondContact O-CG 3.49Å; R357-Q361 PolarHBondContact O-N 3.08Å |
| 358 | S | 97.3 | Very high | 97 | Very high | 64 Ų | 64 | 94.3 Ų | 94.3 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -37.8 | 178.9 | 69.2 | 0 | 0 | 0 | 0 | 111.9 | A354 V355 Q361 S362 | A354-S358 PolarHBondContact O-N 2.87Å; V355-S358 PolarHBondContact O-N 3.25Å; V355-S358 PolarHBondContact O-OG 2.6Å; S358-Q361 PolarHBondContact O-N 3.33Å; S358-S362 WeakPolarHBondContact O-CB 3.26Å; S358-S362 PolarHBondContact O-N 2.83Å |
| 359 | L | 96.9 | Very high | 97 | Very high | 112 Ų | 112 | 93.6 Ų | 93.6 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -46.7 | 171.9 | -177.8 | 65.2 | 0 | 0 | 0 | 110.9 | V355 Q361 S362 S363 | V355-L359 VanDerWaalsContact O-CB 3.27Å; V355-L359 WeakPolarHBondContact O-CB 3.3Å; V355-L359 PolarHBondContact O-N 3.49Å; L359-Q361 VanDerWaalsContact C-N 3.32Å; L359-Q361 PolarHBondContact O-N 3.28Å; L359-S362 PolarHBondContact O-N 3.29Å; L359-S363 WeakPolarHBondContact O-CB 3.26Å; L359-S363 PolarHBondContact O-N 2.96Å |
| 360 | G | 96.3 | Very high | 96.9 | Very high | 34 Ų | 34 | 93.8 Ų | 93.8 | 35% | 0.351 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | D356 R357 K364 | D356-G360 PolarHBondContact O-N 2.77Å; R357-G360 PolarHBondContact O-N 3.02Å; G360-K364 WeakPolarHBondContact O-CG 3.21Å; G360-K364 PolarHBondContact O-N 3.07Å |
| 361 | Q | 96.8 | Very high | 96.8 | Very high | 122 Ų | 122 | 96.1 Ų | 96.1 | 57% | 0.57 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 173.6 | -72.5 | 174.1 | 4.4 | 0 | 0 | 112.5 | R357 S358 L359 K364 K365 | R357-Q361 WeakPolarHBondContact O-CG 3.49Å; R357-Q361 PolarHBondContact O-N 3.08Å; S358-Q361 PolarHBondContact O-N 3.33Å; L359-Q361 VanDerWaalsContact C-N 3.32Å; L359-Q361 PolarHBondContact O-N 3.28Å; Q361-K364 PolarHBondContact O-N 3.28Å; Q361-K365 WeakPolarHBondContact O-CG 3.49Å; Q361-K365 PolarHBondContact O-N 3.34Å |
| 362 | S | 96.5 | Very high | 96.7 | Very high | 61 Ų | 61 | 98 Ų | 98 | 43% | 0.427 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 176.1 | -174 | 0 | 0 | 0 | 0 | 111.6 | S358 L359 K364 K365 L366 | S358-S362 WeakPolarHBondContact O-CB 3.26Å; S358-S362 PolarHBondContact O-N 2.83Å; L359-S362 PolarHBondContact O-N 3.29Å; S362-K364 VanDerWaalsContact C-N 3.33Å; S362-K364 PolarHBondContact O-N 2.95Å; S362-K365 PolarHBondContact O-N 3.13Å; S362-L366 WeakPolarHBondContact O-CG 3.32Å; S362-L366 PolarHBondContact O-N 2.89Å |
| 363 | S | 96.5 | Very high | 96.5 | Very high | 56 Ų | 56 | 98.9 Ų | 98.9 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 175.5 | -173.4 | 0 | 0 | 0 | 0 | 112.3 | L359 L366 Q367 | L359-S363 WeakPolarHBondContact O-CB 3.26Å; L359-S363 PolarHBondContact O-N 2.96Å; S363-L366 PolarHBondContact O-N 3.19Å; S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 3Å |
| 364 | K | 96.8 | Very high | 96.4 | Very high | 135 Ų | 135 | 96.3 Ų | 96.3 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -49.1 | 174 | -74.5 | 175.7 | -178.8 | -174.1 | 0 | 111.5 | G360 Q361 S362 L366 Q367 D368 | G360-K364 WeakPolarHBondContact O-CG 3.21Å; G360-K364 PolarHBondContact O-N 3.07Å; Q361-K364 PolarHBondContact O-N 3.28Å; S362-K364 VanDerWaalsContact C-N 3.33Å; S362-K364 PolarHBondContact O-N 2.95Å; K364-L366 VanDerWaalsContact C-N 3.26Å; K364-L366 PolarHBondContact O-N 3.31Å; K364-Q367 CarbonylContact O-C 3.5Å; K364-Q367 WeakPolarHBondContact O-CA 3.27Å; K364-Q367 WeakPolarHBondContact O-CB 3.16Å; K364-Q367 PolarHBondContact O-N 2.79Å; K364-D368 VanDerWaalsContact O-CG 3.28Å; K364-D368 PolarHBondContact O-N 3.17Å |
| 365 | K | 97.1 | Very high | 96.3 | Very high | 140 Ų | 140 | 99.9 Ų | 99.9 | 61% | 0.609 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.4 | -39.9 | 175.5 | -69.5 | 176.5 | -178.9 | -178 | 0 | 112.3 | Q361 S362 Q367 D368 M369 | Q361-K365 WeakPolarHBondContact O-CG 3.49Å; Q361-K365 PolarHBondContact O-N 3.34Å; S362-K365 PolarHBondContact O-N 3.13Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; K365-D368 PolarHBondContact O-N 2.82Å; K365-M369 WeakPolarHBondContact O-CB 3.36Å; K365-M369 VanDerWaalsContact O-CG 3.24Å; K365-M369 WeakPolarHBondContact O-CG 3.3Å; K365-M369 PolarHBondContact O-N 3.42Å |
| 366 | L | 95.6 | Very high | 96.1 | Very high | 117 Ų | 117 | 100.7 Ų | 100.7 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 174.3 | -78.6 | 170.4 | 0 | 0 | 0 | 112.1 | S362 S363 K364 Q370 | S362-L366 WeakPolarHBondContact O-CG 3.32Å; S362-L366 PolarHBondContact O-N 2.89Å; S363-L366 PolarHBondContact O-N 3.19Å; K364-L366 VanDerWaalsContact C-N 3.26Å; K364-L366 PolarHBondContact O-N 3.31Å; L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.49Å; L366-Q370 PolarHBondContact O-N 3.41Å |
| 367 | Q | 96.6 | Very high | 95.9 | Very high | 110 Ų | 110 | 98.7 Ų | 98.7 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 173.4 | -73.9 | 172.9 | -7.2 | 0 | 0 | 111.9 | S363 K364 K365 Q370 Q371 | S363-Q367 WeakPolarHBondContact O-CG 3.33Å; S363-Q367 PolarHBondContact O-N 3Å; K364-Q367 CarbonylContact O-C 3.5Å; K364-Q367 WeakPolarHBondContact O-CA 3.27Å; K364-Q367 WeakPolarHBondContact O-CB 3.16Å; K364-Q367 PolarHBondContact O-N 2.79Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; Q367-Q370 WeakPolarHBondContact O-CB 3.17Å; Q367-Q370 PolarHBondContact O-N 3.29Å; Q367-Q371 WeakPolarHBondContact O-CG 3.34Å; Q367-Q371 PolarHBondContact O-N 2.72Å |
| 368 | D | 96.5 | Very high | 95.8 | Very high | 81 Ų | 81 | 97.7 Ų | 97.7 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 177.6 | -59.3 | -26.8 | 0 | 0 | 0 | 110.5 | K364 K365 Q370 Q371 E372 | K364-D368 VanDerWaalsContact O-CG 3.28Å; K364-D368 PolarHBondContact O-N 3.17Å; K365-D368 PolarHBondContact O-N 2.82Å; D368-Q370 VanDerWaalsContact C-N 3.26Å; D368-Q370 PolarHBondContact O-N 2.79Å; D368-Q371 WeakPolarHBondContact O-CB 3.39Å; D368-Q371 PolarHBondContact O-N 3.46Å; D368-Q371 VanDerWaalsContact O-N 3.08Å; D368-E372 WeakPolarHBondContact O-CG 3.45Å; D368-E372 PolarHBondContact O-N 2.91Å |
| 369 | M | 96.2 | Very high | 95.5 | Very high | 101 Ų | 101 | 98.6 Ų | 98.6 | 50% | 0.498 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -58 | -37.4 | 173.4 | -72.2 | -65 | -47.2 | 0 | 0 | 112.1 | K365 E372 L373 | K365-M369 WeakPolarHBondContact O-CB 3.36Å; K365-M369 VanDerWaalsContact O-CG 3.24Å; K365-M369 WeakPolarHBondContact O-CG 3.3Å; K365-M369 PolarHBondContact O-N 3.42Å; M369-E372 PolarHBondContact O-N 3.05Å; M369-L373 WeakPolarHBondContact O-CB 3.25Å; M369-L373 VanDerWaalsContact O-CG 3.28Å; M369-L373 WeakPolarHBondContact O-CG 3.1Å; M369-L373 PolarHBondContact O-N 3.2Å |
| 370 | Q | 95.4 | Very high | 95.2 | Very high | 99 Ų | 99 | 98.2 Ų | 98.2 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 175.5 | 177.6 | 62.4 | 30.3 | 0 | 0 | 111.4 | L366 Q367 D368 L373 E374 | L366-Q370 VanDerWaalsContact O-CB 3.27Å; L366-Q370 WeakPolarHBondContact O-CB 3.49Å; L366-Q370 PolarHBondContact O-N 3.41Å; Q367-Q370 WeakPolarHBondContact O-CB 3.17Å; Q367-Q370 PolarHBondContact O-N 3.29Å; D368-Q370 VanDerWaalsContact C-N 3.26Å; D368-Q370 PolarHBondContact O-N 2.79Å; Q370-L373 PolarHBondContact O-N 2.73Å; Q370-E374 PolarHBondContact NE2-OE1 3.07Å; Q370-E374 WeakPolarHBondContact O-CG 3.45Å; Q370-E374 PolarHBondContact O-N 2.74Å |
| 371 | Q | 95.6 | Very high | 94.9 | Very high | 117 Ų | 117 | 104.9 Ų | 104.9 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 175 | -69.7 | 173.2 | 16.2 | 0 | 0 | 111.8 | Q367 D368 E374 Q375 | Q367-Q371 WeakPolarHBondContact O-CG 3.34Å; Q367-Q371 PolarHBondContact O-N 2.72Å; D368-Q371 WeakPolarHBondContact O-CB 3.39Å; D368-Q371 PolarHBondContact O-N 3.46Å; D368-Q371 VanDerWaalsContact O-N 3.08Å; Q371-E374 WeakPolarHBondContact O-CB 3.16Å; Q371-E374 PolarHBondContact O-N 2.92Å; Q371-Q375 WeakPolarHBondContact O-CB 3.26Å; Q371-Q375 PolarHBondContact O-N 3.32Å |
| 372 | E | 95.8 | Very high | 94.6 | Very high | 106 Ų | 106 | 105.2 Ų | 105.2 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.6 | -44.8 | 173 | -72.2 | 177.6 | -174.8 | 0 | 0 | 111.3 | D368 M369 E374 Q375 L376 | D368-E372 WeakPolarHBondContact O-CG 3.45Å; D368-E372 PolarHBondContact O-N 2.91Å; M369-E372 PolarHBondContact O-N 3.05Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 2.85Å; E372-Q375 PolarHBondContact O-N 2.66Å; E372-L376 WeakPolarHBondContact O-CB 3.25Å; E372-L376 WeakPolarHBondContact O-CG 3.3Å; E372-L376 PolarHBondContact O-N 2.91Å |
| 373 | L | 94.2 | Very high | 94.2 | Very high | 91 Ų | 91 | 106 Ų | 106 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.3 | -41.4 | 174.1 | -77.1 | 176.3 | 0 | 0 | 0 | 111.9 | M369 Q370 Q375 T377 | M369-L373 WeakPolarHBondContact O-CB 3.25Å; M369-L373 VanDerWaalsContact O-CG 3.28Å; M369-L373 WeakPolarHBondContact O-CG 3.1Å; M369-L373 PolarHBondContact O-N 3.2Å; Q370-L373 PolarHBondContact O-N 2.73Å; L373-Q375 VanDerWaalsContact C-N 3.32Å; L373-T377 VanDerWaalsContact O-CB 3.25Å; L373-T377 WeakPolarHBondContact O-CB 3.13Å; L373-T377 PolarHBondContact O-N 2.64Å; L373-T377 PolarHBondContact O-OG1 3.23Å |
| 374 | E | 94.4 | Very high | 93.7 | Very high | 91 Ų | 91 | 107.2 Ų | 107.2 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.3 | -38.3 | 174.4 | -76 | 171.4 | -162.5 | 0 | 0 | 111.7 | Q370 Q371 E372 T377 K378 | Q370-E374 PolarHBondContact NE2-OE1 3.07Å; Q370-E374 WeakPolarHBondContact O-CG 3.45Å; Q370-E374 PolarHBondContact O-N 2.74Å; Q371-E374 WeakPolarHBondContact O-CB 3.16Å; Q371-E374 PolarHBondContact O-N 2.92Å; E372-E374 VanDerWaalsContact C-N 3.34Å; E372-E374 PolarHBondContact O-N 2.85Å; E374-T377 PolarHBondContact O-N 2.8Å; E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.25Å; E374-K378 PolarHBondContact O-N 2.84Å |
| 375 | Q | 95.2 | Very high | 93.2 | Very high | 116 Ų | 116 | 105.7 Ų | 105.7 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.6 | -48.1 | 175.9 | -176.2 | 160.2 | -13.3 | 0 | 0 | 112.1 | Q371 E372 L373 T377 K378 E379 | Q371-Q375 WeakPolarHBondContact O-CB 3.26Å; Q371-Q375 PolarHBondContact O-N 3.32Å; E372-Q375 PolarHBondContact O-N 2.66Å; L373-Q375 VanDerWaalsContact C-N 3.32Å; Q375-T377 PolarHBondContact O-N 3.15Å; Q375-K378 CarbonylContact O-C 3.59Å; Q375-K378 WeakPolarHBondContact O-CA 3.39Å; Q375-K378 WeakPolarHBondContact O-CB 3.43Å; Q375-K378 PolarHBondContact O-N 3.36Å; Q375-E379 WeakPolarHBondContact O-CG 3.3Å; Q375-E379 PolarHBondContact O-N 2.99Å |
| 376 | L | 93.8 | Very high | 92.5 | Very high | 100 Ų | 100 | 104.2 Ų | 104.2 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.1 | -34.6 | 172.6 | -71.9 | 172.7 | 0 | 0 | 0 | 111.5 | E372 E379 L380 | E372-L376 WeakPolarHBondContact O-CB 3.25Å; E372-L376 WeakPolarHBondContact O-CG 3.3Å; E372-L376 PolarHBondContact O-N 2.91Å; L376-E379 PolarHBondContact O-N 3.49Å; L376-L380 WeakPolarHBondContact O-CB 3.18Å; L376-L380 PolarHBondContact O-N 3.32Å |
| 377 | T | 93.3 | Very high | 91.8 | Very high | 59 Ų | 59 | 103 Ų | 103 | 36% | 0.362 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.9 | -39.2 | 173.6 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | L373 E374 Q375 R381 | L373-T377 VanDerWaalsContact O-CB 3.25Å; L373-T377 WeakPolarHBondContact O-CB 3.13Å; L373-T377 PolarHBondContact O-N 2.64Å; L373-T377 PolarHBondContact O-OG1 3.23Å; E374-T377 PolarHBondContact O-N 2.8Å; Q375-T377 PolarHBondContact O-N 3.15Å; T377-R381 WeakPolarHBondContact O-CB 3.49Å; T377-R381 VanDerWaalsContact O-CG 3.23Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 2.9Å |
| 378 | K | 94.3 | Very high | 91 | Very high | 139 Ų | 139 | 103.9 Ų | 103.9 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.2 | -46.2 | 173 | -71 | 166.8 | -173.7 | 172.3 | 0 | 111 | E374 Q375 R381 Q382 | E374-K378 VanDerWaalsContact O-CG 3.29Å; E374-K378 WeakPolarHBondContact O-CG 3.25Å; E374-K378 PolarHBondContact O-N 2.84Å; Q375-K378 CarbonylContact O-C 3.59Å; Q375-K378 WeakPolarHBondContact O-CA 3.39Å; Q375-K378 WeakPolarHBondContact O-CB 3.43Å; Q375-K378 PolarHBondContact O-N 3.36Å; K378-R381 WeakPolarHBondContact O-CB 3.25Å; K378-R381 PolarHBondContact O-N 3.45Å; K378-Q382 WeakPolarHBondContact O-CB 3.28Å; K378-Q382 PolarHBondContact O-N 2.91Å |
| 379 | E | 92.9 | Very high | 89.9 | Confident | 84 Ų | 84 | 105 Ų | 105 | 39% | 0.393 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 176.3 | -71 | 176.2 | -169.8 | 0 | 0 | 111.6 | Q375 L376 R381 Q382 V383 | Q375-E379 WeakPolarHBondContact O-CG 3.3Å; Q375-E379 PolarHBondContact O-N 2.99Å; L376-E379 PolarHBondContact O-N 3.49Å; E379-R381 PolarHBondContact O-N 3.33Å; E379-Q382 CarbonylContact O-C 3.6Å; E379-Q382 WeakPolarHBondContact O-CA 3.39Å; E379-Q382 WeakPolarHBondContact O-CB 3.36Å; E379-Q382 PolarHBondContact O-N 3.5Å; E379-Q382 VanDerWaalsContact O-N 3.11Å; E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.89Å |
| 380 | L | 90 | Very high | 88.6 | Confident | 103 Ų | 103 | 107.3 Ų | 107.3 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -43.6 | 174.8 | -179.7 | 66 | 0 | 0 | 0 | 111.1 | L376 Q382 V383 N384 | L376-L380 WeakPolarHBondContact O-CB 3.18Å; L376-L380 PolarHBondContact O-N 3.32Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.22Å; L380-V383 PolarHBondContact O-N 3.48Å; L380-N384 WeakPolarHBondContact O-CB 3.41Å; L380-N384 VanDerWaalsContact O-CG 3.25Å; L380-N384 PolarHBondContact O-N 2.83Å; L380-N384 PolarHBondContact O-ND2 3.01Å |
| 381 | R | 90.6 | Very high | 87.1 | Confident | 175 Ų | 175 | 109.7 Ų | 109.7 | 66% | 0.66 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.2 | -39.8 | 172.8 | -75 | 175 | -168.8 | 174.1 | 5.7 | 111.3 | T377 K378 E379 L385 | T377-R381 WeakPolarHBondContact O-CB 3.49Å; T377-R381 VanDerWaalsContact O-CG 3.23Å; T377-R381 WeakPolarHBondContact O-CG 3.42Å; T377-R381 PolarHBondContact O-N 2.9Å; K378-R381 WeakPolarHBondContact O-CB 3.25Å; K378-R381 PolarHBondContact O-N 3.45Å; E379-R381 PolarHBondContact O-N 3.33Å; R381-L385 VanDerWaalsContact O-CB 3.22Å; R381-L385 WeakPolarHBondContact O-CB 3.36Å; R381-L385 PolarHBondContact O-N 3.36Å |
| 382 | Q | 90.4 | Very high | 85.3 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 60% | 0.598 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.1 | -46.4 | 177.2 | -176.6 | -178.9 | 2.7 | 0 | 0 | 111.8 | K378 E379 L380 L385 Q386 | K378-Q382 WeakPolarHBondContact O-CB 3.28Å; K378-Q382 PolarHBondContact O-N 2.91Å; E379-Q382 CarbonylContact O-C 3.6Å; E379-Q382 WeakPolarHBondContact O-CA 3.39Å; E379-Q382 WeakPolarHBondContact O-CB 3.36Å; E379-Q382 PolarHBondContact O-N 3.5Å; E379-Q382 VanDerWaalsContact O-N 3.11Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.22Å; Q382-L385 CarbonylContact O-C 3.54Å; Q382-L385 PolarHBondContact O-N 2.83Å; Q382-Q386 VanDerWaalsContact O-CB 3.3Å; Q382-Q386 WeakPolarHBondContact O-CB 3.46Å; Q382-Q386 PolarHBondContact O-N 2.83Å |
| 383 | V | 87.5 | Confident | 83 | Confident | 78 Ų | 78 | 105.9 Ų | 105.9 | 47% | 0.473 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 175.6 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | E379 L380 L385 Q386 Q387 | E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.89Å; L380-V383 PolarHBondContact O-N 3.48Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.31Å; V383-Q386 CarbonylContact O-C 3.54Å; V383-Q386 PolarHBondContact O-N 2.92Å; V383-Q386 VanDerWaalsContact O-N 3.16Å; V383-Q387 VanDerWaalsContact O-CB 3.3Å; V383-Q387 WeakPolarHBondContact O-CB 3.32Å; V383-Q387 PolarHBondContact O-N 2.86Å |
| 384 | N | 86.5 | Confident | 80.3 | Confident | 82 Ų | 82 | 107.9 Ų | 107.9 | 44% | 0.439 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.7 | -42 | 174.1 | -79.8 | -24.6 | 0 | 0 | 0 | 111.5 | L380 Q387 F388 | L380-N384 WeakPolarHBondContact O-CB 3.41Å; L380-N384 VanDerWaalsContact O-CG 3.25Å; L380-N384 PolarHBondContact O-N 2.83Å; L380-N384 PolarHBondContact O-ND2 3.01Å; N384-Q387 PolarHBondContact O-N 3.35Å; N384-F388 VanDerWaalsContact O-CB 3.28Å; N384-F388 WeakPolarHBondContact O-CB 3.5Å; N384-F388 PolarHBondContact O-N 3.45Å |
| 385 | L | 85.9 | Confident | 77.7 | Confident | 103 Ų | 103 | 112.4 Ų | 112.4 | 54% | 0.539 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.5 | -40 | 173.9 | -179.6 | 65.6 | 0 | 0 | 0 | 111.3 | R381 Q382 V383 F388 I389 | R381-L385 VanDerWaalsContact O-CB 3.22Å; R381-L385 WeakPolarHBondContact O-CB 3.36Å; R381-L385 PolarHBondContact O-N 3.36Å; Q382-L385 CarbonylContact O-C 3.54Å; Q382-L385 PolarHBondContact O-N 2.83Å; V383-L385 VanDerWaalsContact C-N 3.33Å; V383-L385 PolarHBondContact O-N 3.31Å; L385-F388 WeakPolarHBondContact O-CB 3.32Å; L385-F388 PolarHBondContact O-N 2.79Å; L385-I389 HydrophobicContact CG-CD1 4.14Å; L385-I389 VanDerWaalsContact O-CG1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.39Å; L385-I389 PolarHBondContact O-N 2.88Å |
| 386 | Q | 82.5 | Confident | 74.9 | Confident | 109 Ų | 109 | 112.7 Ų | 112.7 | 51% | 0.509 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.7 | -38.4 | 177.3 | -167.4 | 175.9 | 24 | 0 | 0 | 111.8 | Q382 V383 I389 Q390 | Q382-Q386 VanDerWaalsContact O-CB 3.3Å; Q382-Q386 WeakPolarHBondContact O-CB 3.46Å; Q382-Q386 PolarHBondContact O-N 2.83Å; V383-Q386 CarbonylContact O-C 3.54Å; V383-Q386 PolarHBondContact O-N 2.92Å; V383-Q386 VanDerWaalsContact O-N 3.16Å; Q386-I389 PolarHBondContact O-N 2.89Å; Q386-Q390 PolarHBondContact O-N 3.02Å |
| 387 | Q | 80.9 | Confident | 72.2 | Confident | 91 Ų | 91 | 113.7 Ų | 113.7 | 43% | 0.425 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67 | -39.6 | 172.8 | -171.2 | 177.2 | 7 | 0 | 0 | 110.4 | V383 N384 Q390 Q391 | V383-Q387 VanDerWaalsContact O-CB 3.3Å; V383-Q387 WeakPolarHBondContact O-CB 3.32Å; V383-Q387 PolarHBondContact O-N 2.86Å; N384-Q387 PolarHBondContact O-N 3.35Å; Q387-Q390 PolarHBondContact O-N 2.99Å; Q387-Q391 HydrophobicContact CG-CG 4.39Å; Q387-Q391 VanDerWaalsContact O-CB 3.3Å; Q387-Q391 WeakPolarHBondContact O-CB 3.46Å; Q387-Q391 VanDerWaalsContact O-CG 3.28Å; Q387-Q391 WeakPolarHBondContact O-CG 3.49Å; Q387-Q391 PolarHBondContact O-N 3.42Å |
| 388 | F | 79.8 | Confident | 69.4 | Low | 128 Ų | 128 | 117.1 Ų | 117.1 | 56% | 0.561 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -59.2 | -49.1 | 169.6 | -178.5 | -98.4 | 0 | 0 | 0 | 110.1 | N384 L385 Q390 Q391 T392 | N384-F388 VanDerWaalsContact O-CB 3.28Å; N384-F388 WeakPolarHBondContact O-CB 3.5Å; N384-F388 PolarHBondContact O-N 3.45Å; L385-F388 WeakPolarHBondContact O-CB 3.32Å; L385-F388 PolarHBondContact O-N 2.79Å; F388-Q390 PolarHBondContact O-N 3.31Å; F388-Q391 PolarHBondContact O-N 2.88Å; F388-T392 WeakPolarHBondContact O-CB 3.28Å; F388-T392 PolarHBondContact O-N 3.26Å; F388-T392 PolarHBondContact O-OG1 2.92Å |
| 389 | I | 72 | Confident | 66.4 | Low | 104 Ų | 104 | 118.8 Ų | 118.8 | 53% | 0.533 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -60.1 | -40.8 | 176.4 | -68.8 | 162.9 | 0 | 0 | 0 | 112 | L385 Q386 T392 G393 | L385-I389 HydrophobicContact CG-CD1 4.14Å; L385-I389 VanDerWaalsContact O-CG1 3.24Å; L385-I389 WeakPolarHBondContact O-CG1 3.39Å; L385-I389 PolarHBondContact O-N 2.88Å; Q386-I389 PolarHBondContact O-N 2.89Å; I389-T392 CarbonylContact O-C 3.53Å; I389-T392 PolarHBondContact O-N 3.47Å; I389-G393 VanDerWaalsContact O-CA 3.23Å; I389-G393 WeakPolarHBondContact O-CA 3.24Å; I389-G393 PolarHBondContact O-N 2.97Å; I389-G393 VanDerWaalsContact O-N 3.13Å |
| 390 | Q | 69 | Low | 63.9 | Low | 150 Ų | 150 | 119.7 Ų | 119.7 | 70% | 0.701 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.5 | -45.3 | 176.1 | -87.8 | -178.1 | 5 | 0 | 0 | 112.8 | Q386 Q387 F388 T392 G393 | Q386-Q390 PolarHBondContact O-N 3.02Å; Q387-Q390 PolarHBondContact O-N 2.99Å; F388-Q390 PolarHBondContact O-N 3.31Å; Q390-T392 PolarHBondContact O-N 2.82Å; Q390-G393 PolarHBondContact O-N 3.34Å |
| 391 | Q | 65.8 | Low | 61 | Low | 149 Ų | 149 | 119.9 Ų | 119.9 | 70% | 0.696 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.4 | -25.8 | 177.4 | -71.5 | 179.2 | -7.7 | 0 | 0 | 112.1 | Q387 F388 | Q387-Q391 HydrophobicContact CG-CG 4.39Å; Q387-Q391 VanDerWaalsContact O-CB 3.3Å; Q387-Q391 WeakPolarHBondContact O-CB 3.46Å; Q387-Q391 VanDerWaalsContact O-CG 3.28Å; Q387-Q391 WeakPolarHBondContact O-CG 3.49Å; Q387-Q391 PolarHBondContact O-N 3.42Å; F388-Q391 PolarHBondContact O-N 2.88Å |
| 392 | T | 56.1 | Low | 58 | Low | 92 Ų | 92 | 120.2 Ų | 120.2 | 56% | 0.564 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 17.6 | 179.4 | -30.1 | 0 | 0 | 0 | 0 | 112.3 | F388 I389 Q390 | F388-T392 WeakPolarHBondContact O-CB 3.28Å; F388-T392 PolarHBondContact O-N 3.26Å; F388-T392 PolarHBondContact O-OG1 2.92Å; I389-T392 CarbonylContact O-C 3.53Å; I389-T392 PolarHBondContact O-N 3.47Å; Q390-T392 PolarHBondContact O-N 2.82Å |
| 393 | G | 47.4 | Very low | 56.1 | Low | 52 Ų | 52 | 118.1 Ų | 118.1 | 54% | 0.536 | 65% | 0.654 | S | S | . | * | trans | -115 | 23.4 | -158.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | I389 Q390 | I389-G393 VanDerWaalsContact O-CA 3.23Å; I389-G393 WeakPolarHBondContact O-CA 3.24Å; I389-G393 PolarHBondContact O-N 2.97Å; I389-G393 VanDerWaalsContact O-N 3.13Å; Q390-G393 PolarHBondContact O-N 3.34Å | ||
| 394 | T | 37.7 | Very low | 53.4 | Low | 132 Ų | 132 | 119.6 Ų | 119.6 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -107.5 | 98.2 | 153.6 | -53.6 | 0 | 0 | 0 | 0 | 108.1 | ||
| 395 | K | 40.3 | Very low | 50.8 | Low | 186 Ų | 186 | 122.9 Ų | 122.9 | 81% | 0.809 | 68% | 0.676 | S | S | * | * | trans | 59.5 | 146.4 | 166.5 | -57.8 | -176.4 | 175.5 | 179.2 | 0 | 118.9 | ||||
| 396 | V | 35.8 | Very low | 48.3 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 74% | 0.739 | 69% | 0.69 | S | S | * | * | trans | 113.6 | 97.8 | 141.4 | -173.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 397 | T | 38.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 129.4 Ų | 129.4 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | 75.6 | 97.3 | 137.9 | 61.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 398 | V | 33.3 | Very low | 43.4 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 73% | 0.727 | S | S | * | * | 11.8 | 115.1 | 115.4 | -164.1 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 399 | L | 31.2 | Very low | 41 | Very low | 173 Ų | 173 | 128.3 Ų | 128.3 | 91% | 0.906 | 73% | 0.731 | S | S | * | * | -150.6 | 127.3 | 127.1 | -101.1 | 172.7 | 0 | 0 | 0 | 109.1 | |||||
| 400 | P | 40.6 | Very low | 39 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 75% | 0.746 | S | S | * | * | trans | -100.1 | 147.8 | -176.6 | 35.9 | -29.4 | 0 | 0 | 0 | 112.9 | ||||
| 401 | A | 28.4 | Very low | 36.9 | Very low | 107 Ų | 107 | 128.7 Ų | 128.7 | 88% | 0.884 | 75% | 0.747 | S | S | * | * | trans | -153.2 | 92.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 402 | E | 29.4 | Very low | 35.2 | Very low | 181 Ų | 181 | 127 Ų | 127 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | trans | -77.5 | 179.4 | 156 | -90.3 | -153 | 166.3 | 0 | 0 | 109.9 | ||||
| 403 | P | 50 | Low | 34 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 55% | 0.552 | 77% | 0.765 | S | S | * | * | -141.4 | -161.1 | -54.6 | 41.4 | -21.6 | 0 | 0 | 0 | 110.1 | |||||
| 404 | T | 29.8 | Very low | 33.3 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 66% | 0.663 | 78% | 0.778 | S | S | * | * | trans | 65.5 | 151.6 | 148.4 | 55.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 405 | E | 31.6 | Very low | 33.2 | Very low | 152 Ų | 152 | 128.7 Ų | 128.7 | 71% | 0.71 | 78% | 0.777 | S | S | * | * | cis | -158.8 | 139.3 | 9 | -115.8 | 148.4 | -134.6 | 0 | 0 | 104.7 | ||||
| 406 | E | 35 | Very low | 32.9 | Very low | 175 Ų | 175 | 126.9 Ų | 126.9 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | 43.3 | 115.4 | 102.8 | -59.2 | -165.4 | 163.9 | 0 | 0 | 114.8 | |||||
| 407 | D | 31.6 | Very low | 33.1 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 93% | 0.93 | 78% | 0.783 | S | S | * | * | trans | -139.9 | 120.6 | 140 | -103.7 | -29.6 | 0 | 0 | 0 | 110 | ||||
| 408 | C | 28.6 | Very low | 33.2 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -74.7 | 161.8 | 163.7 | -81.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 409 | A | 29.5 | Very low | 33.2 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 65% | 0.645 | 79% | 0.786 | S | S | * | * | trans | 108.4 | 126.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 410 | N | 28.9 | Very low | 33.9 | Very low | 157 Ų | 157 | 125.6 Ų | 125.6 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | trans | 85 | 128.4 | 145.6 | -54.9 | -22.4 | 0 | 0 | 0 | 116.7 | ||||
| 411 | S | 26.5 | Very low | 33.8 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 79% | 0.791 | S | S | * | * | cis | -171.3 | 151.1 | 29.5 | 43.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 412 | S | 29 | Very low | 34.1 | Very low | 115 Ų | 115 | 125.5 Ų | 125.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | 59.8 | 132.1 | 154.9 | 65.6 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 413 | S | 31.1 | Very low | 34.7 | Very low | 119 Ų | 119 | 122 Ų | 122 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | cis | -156.2 | 155.2 | 28.5 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 414 | G | 31.6 | Very low | 34.2 | Very low | 79 Ų | 79 | 125.2 Ų | 125.2 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | trans | -69 | 165.6 | -166.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 415 | S | 36 | Very low | 34.5 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | -174.4 | 120.4 | 104 | -157.6 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 416 | D | 35.2 | Very low | 35.1 | Very low | 148 Ų | 148 | 134.3 Ų | 134.3 | 79% | 0.791 | 81% | 0.812 | S | S | * | * | trans | 36.4 | 120.3 | 143.1 | -71.3 | -11.6 | 0 | 0 | 0 | 124 | ||||
| 417 | L | 39.8 | Very low | 35.6 | Very low | 169 Ų | 169 | 131.5 Ų | 131.5 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | 81.7 | 122.4 | 126.7 | -130.7 | 77.9 | 0 | 0 | 0 | 121.1 | |||||
| 418 | A | 39.1 | Very low | 35.6 | Very low | 95 Ų | 95 | 129.9 Ų | 129.9 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -59.5 | 143.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 419 | A | 34.5 | Very low | 36.3 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | -174.5 | 132.2 | 94.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 420 | L | 45.6 | Very low | 36.6 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -60.6 | 151.9 | 169.3 | -58.1 | 155.8 | 0 | 0 | 0 | 109.2 | ||||
| 421 | T | 38.6 | Very low | 37.1 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 81% | 0.81 | S | S | * | * | 171.7 | 156.4 | 67.8 | 25.6 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 422 | G | 35 | Very low | 38.6 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | 106.7 | 75.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 423 | S | 40.6 | Very low | 39 | Very low | 106 Ų | 106 | 133.9 Ų | 133.9 | 74% | 0.741 | 81% | 0.808 | S | S | * | * | 78.8 | 110.4 | 80.7 | -163.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 424 | L | 40.8 | Very low | 39.3 | Very low | 153 Ų | 153 | 133 Ų | 133 | 80% | 0.801 | 80% | 0.801 | S | S | * | * | trans | 71.2 | 98.1 | 150 | -65.8 | 164.1 | 0 | 0 | 0 | 119.2 | ||||
| 425 | K | 36.4 | Very low | 39.4 | Very low | 208 Ų | 208 | 133.6 Ų | 133.6 | 90% | 0.904 | 79% | 0.793 | S | S | * | * | -169.6 | 128.6 | 107.1 | -96.2 | 168.9 | -174.2 | -176.6 | 0 | 111.2 | |||||
| 426 | R | 43.5 | Very low | 39.8 | Very low | 244 Ų | 244 | 136.8 Ų | 136.8 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -75.4 | 175.9 | 167.9 | -67.1 | -178 | -175.4 | 157.5 | 0.9 | 110.5 | ||||
| 427 | P | 46 | Very low | 40.2 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | -123.9 | 166.7 | -59.5 | 35 | -19.5 | 0 | 0 | 0 | 110.9 | |||||
| 428 | V | 30.9 | Very low | 40.4 | Very low | 139 Ų | 139 | 139.1 Ų | 139.1 | 84% | 0.842 | 79% | 0.792 | S | S | * | * | trans | -71.4 | 131.2 | 165 | 170.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 429 | S | 43.8 | Very low | 40.4 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -152.8 | 104.4 | 148.7 | 176.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 430 | T | 34.8 | Very low | 40.7 | Very low | 128 Ų | 128 | 143.9 Ų | 143.9 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -146.6 | 101.9 | 166.4 | 38.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 431 | Q | 39.9 | Very low | 40.3 | Very low | 182 Ų | 182 | 140.4 Ų | 140.4 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -154.7 | 159.8 | 133.3 | -82.6 | -161.5 | -7.4 | 0 | 0 | 106.5 | ||||
| 432 | P | 57.9 | Low | 40.3 | Very low | 107 Ų | 107 | 140.5 Ų | 140.5 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | cis | -133.2 | -176.8 | -37.3 | 30.9 | -10.1 | 0 | 0 | 0 | 112.3 | ||||
| 433 | V | 38 | Very low | 41 | Very low | 133 Ų | 133 | 143.4 Ų | 143.4 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | trans | 72.2 | 124 | 158.6 | -142.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 434 | S | 36.2 | Very low | 41.1 | Very low | 99 Ų | 99 | 145.8 Ų | 145.8 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | 139.4 | 124.2 | 110.5 | -158.1 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 435 | S | 34.2 | Very low | 40.9 | Very low | 92 Ų | 92 | 143.8 Ų | 143.8 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | 64.6 | 108.9 | 137.5 | 61.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 436 | H | 44.6 | Very low | 41 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | 43.8 | 128.4 | 123.2 | -77.8 | -77.5 | 0 | 0 | 0 | 121.9 | |||||
| 437 | L | 42.9 | Very low | 40.7 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | -166.8 | 110.7 | 123.9 | -82.4 | -170.6 | 0 | 0 | 0 | 108.4 | |||||
| 438 | R | 44.3 | Very low | 40.5 | Very low | 214 Ų | 214 | 133.4 Ų | 133.4 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | 66.2 | 109.5 | 95.7 | -84.1 | -159.7 | -102.8 | -158.1 | -4.8 | 117.6 | |||||
| 439 | V | 38.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 134.7 Ų | 134.7 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | 68.9 | 112.5 | 128.4 | -174.8 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 440 | L | 41.7 | Very low | 41.9 | Very low | 172 Ų | 172 | 134.7 Ų | 134.7 | 90% | 0.901 | 78% | 0.781 | S | S | * | * | trans | -141.8 | 105.3 | 134.6 | -72.5 | 177.4 | 0 | 0 | 0 | 106.2 | ||||
| 441 | A | 37.2 | Very low | 42.5 | Very low | 86 Ų | 86 | 138 Ų | 138 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | 89.9 | 115 | 89.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 442 | N | 39.6 | Very low | 42.6 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -59.2 | 170 | 173.4 | -74 | -11.1 | 0 | 0 | 0 | 112.8 | ||||
| 443 | P | 48.3 | Very low | 42.1 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | -130.3 | 149.7 | 99.3 | 36.3 | -27.9 | 0 | 0 | 0 | 114.7 | |||||
| 444 | L | 43.3 | Very low | 42.2 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | trans | -77.6 | 138.2 | 166.7 | -71.6 | 155.3 | 0 | 0 | 0 | 110.4 | ||||
| 445 | S | 35.6 | Very low | 42.4 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | -172.9 | 104.6 | 139 | 36.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 446 | S | 38.3 | Very low | 42.8 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 88% | 0.881 | 83% | 0.825 | S | S | * | * | 66.1 | 117.2 | 82.3 | 179.4 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 447 | G | 37.2 | Very low | 42.7 | Very low | 63 Ų | 63 | 145.6 Ų | 145.6 | 65% | 0.649 | 83% | 0.825 | S | S | * | * | trans | 157 | 73.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 448 | L | 43.1 | Very low | 42.7 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | 54.5 | 106.8 | 132.7 | -65.1 | 155.8 | 0 | 0 | 0 | 118.1 | P450 | L448-P450 WeakPolarHBondContact O-CD 3.49Š| ||
| 449 | N | 47.5 | Very low | 42.6 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 89% | 0.888 | 83% | 0.827 | S | S | * | * | trans | -57.6 | 131.3 | 135.5 | -88.6 | -42.7 | 0 | 0 | 0 | 109.6 | ||||
| 450 | P | 55.9 | Low | 42.9 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 69% | 0.688 | 83% | 0.833 | S | S | * | * | trans | -118 | 121.9 | 152.4 | 30.8 | -13.9 | 0 | 0 | 0 | 110.1 | L448 | L448-P450 WeakPolarHBondContact O-CD 3.49Š| ||
| 451 | E | 48 | Very low | 43 | Very low | 198 Ų | 198 | 140.5 Ų | 140.5 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | 77.4 | 122 | 155.2 | -52.1 | -160.4 | 168.1 | 0 | 0 | 119.5 | ||||
| 452 | G | 42 | Very low | 43.4 | Very low | 63 Ų | 63 | 144.4 Ų | 144.4 | 65% | 0.649 | 84% | 0.837 | S | S | * | * | trans | 171.1 | 47.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 453 | I | 46.7 | Very low | 43.7 | Very low | 167 Ų | 167 | 144.7 Ų | 144.7 | 86% | 0.856 | 84% | 0.844 | S | S | * | * | trans | 20.5 | 110.9 | 151.6 | -53.3 | 168.9 | 0 | 0 | 0 | 116.6 | ||||
| 454 | Y | 40.2 | Very low | 43.3 | Very low | 224 Ų | 224 | 145.8 Ų | 145.8 | 88% | 0.878 | 84% | 0.843 | S | S | * | * | trans | -121.3 | 129.2 | 150 | -89.1 | -94 | 0 | 0 | 0 | 108.5 | ||||
| 455 | V | 41.5 | Very low | 43.3 | Very low | 208 Ų | 208 | 144.9 Ų | 144.9 | 100% | 1.261 | 85% | 0.846 | S | S | * | * | trans | 6 | 0 | 164.6 | -171.3 | 0 | 0 | 0 | 0 | 118.1 |
Retrieved 455 of 455 residues in 192.8 ms
(Link to these results)