| 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 | 84.9 | Confident | 89.5 | Confident | 133 Ų | 133 | 72.2 Ų | 72.2 | 66% | 0.655 | 38% | 0.38 | S | S | * | . | 0 | 167.4 | 0 | -62.1 | -154.9 | -151.9 | 0 | 0 | 109.7 | G16 V17 I60 | M1-G16 PolarHBondContact O-N 3.36Å; M1-G16 VanDerWaalsContact O-N 3.14Å; M1-V17 WeakPolarHBondContact CB-O 3.35Å; M1-V17 PolarHBondContact N-O 3.25Å; M1-V17 PolarHBondContact O-N 2.8Å; M1-I60 HydrophobicContact CE-CG2 4.22Å | |||
| 2 | E | 87.9 | Confident | 89.7 | Confident | 122 Ų | 122 | 74.6 Ų | 74.6 | 57% | 0.57 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.7 | 169.5 | 57 | 174.7 | -154.1 | 0 | 0 | 110 | I13 | E2-I13 HydrophobicContact CB-CG2 3.81Å |
| 3 | L | 90.6 | Very high | 89.8 | Confident | 4 Ų | 4 | 75.8 Ų | 75.8 | 2% | 0.021 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123 | -179.9 | -171 | 71.9 | 0 | 0 | 0 | 109.9 | V5 I13 V14 V17 V26 P59 I60 L63 L75 | L3-V5 HydrophobicContact CD2-CG2 3.97Å; L3-V5 HydrophobicContact CG-CG2 4.05Å; L3-I13 WeakPolarHBondContact O-CA 3.4Å; L3-V14 HydrophobicContact CB-CB 4.41Å; L3-V14 PolarHBondContact N-O 2.94Å; L3-V14 PolarHBondContact O-N 2.82Å; L3-V17 HydrophobicContact CB-CB 4.35Å; L3-V17 HydrophobicContact CB-CG2 3.8Å; L3-V17 HydrophobicContact CD2-CG1 4.5Å; L3-V17 HydrophobicContact CD2-CG2 4.46Å; L3-V26 HydrophobicContact CD2-CG1 4.1Å; L3-V26 HydrophobicContact CD2-CG2 4.45Å; L3-P59 HydrophobicContact CD2-CB 3.99Å; L3-P59 HydrophobicContact CD2-CG 3.99Å; L3-I60 HydrophobicContact CD1-CD1 4Å; L3-L63 HydrophobicContact CD1-CD1 3.45Å; L3-L63 VanDerWaalsContact CD1-CD1 3.45Å; L3-L75 HydrophobicContact CD1-CD1 3.51Å; L3-L75 HydrophobicContact CD2-CD1 3.74Å; L3-L75 HydrophobicContact CG-CD1 3.73Å |
| 4 | K | 92.2 | Very high | 89.9 | Confident | 107 Ų | 107 | 71.9 Ų | 71.9 | 47% | 0.465 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 115.8 | -179.5 | -66.1 | 175.7 | -177.6 | 175.3 | 0 | 109.6 | I13 | K4-I13 HydrophobicContact CG-CG1 4.44Å |
| 5 | V | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.9 | -179.3 | -173.6 | 0 | 0 | 0 | 0 | 110 | L3 V7 R12 L30 L42 L75 L77 | L3-V5 HydrophobicContact CD2-CG2 3.97Å; L3-V5 HydrophobicContact CG-CG2 4.05Å; V5-V7 HydrophobicContact CG1-CG2 4.38Å; V5-R12 PolarHBondContact N-O 3.38Å; V5-R12 PolarHBondContact O-N 2.82Å; V5-R12 VanDerWaalsContact O-O 3.09Å; V5-L30 HydrophobicContact CB-CD1 3.91Å; V5-L30 HydrophobicContact CG1-CD1 3.66Å; V5-L30 HydrophobicContact CG2-CD1 4.11Å; V5-L42 HydrophobicContact CG1-CD1 3.74Å; V5-L75 CarbonylContact C-O 3.56Å; V5-L75 WeakPolarHBondContact CA-O 3.35Å; V5-L75 HydrophobicContact CB-CB 4.46Å; V5-L75 HydrophobicContact CG1-CB 4.31Å; V5-L75 HydrophobicContact CG2-CB 4.08Å; V5-L75 HydrophobicContact CG2-CD1 4.22Å; V5-L77 HydrophobicContact CG1-CB 4.1Å |
| 6 | W | 93.3 | Very high | 89.8 | Confident | 79 Ų | 79 | 73.1 Ų | 73.1 | 30% | 0.299 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 127.5 | 176.1 | -69.7 | 86.1 | 0 | 0 | 0 | 110.6 | G9 Q11 L75 I76 L77 | W6-G9 VanDerWaalsContact CZ3-O 3.31Å; W6-G9 WeakPolarHBondContact CZ3-O 3.26Å; W6-Q11 HydrophobicContact CD2-CB 4.06Å; W6-Q11 HydrophobicContact CD2-CG 4.48Å; W6-Q11 HydrophobicContact CE3-CB 4.09Å; W6-Q11 HydrophobicContact CH2-CB 4.1Å; W6-Q11 HydrophobicContact CZ2-CB 4.06Å; W6-Q11 HydrophobicContact CZ2-CG 4.37Å; W6-Q11 HydrophobicContact CZ3-CB 4.11Å; W6-L75 PolarHBondContact N-O 3.32Å; W6-I76 HydrophobicContact CB-CG1 4.2Å; W6-I76 CarbonylContact O-C 3.59Å; W6-I76 WeakPolarHBondContact O-CA 3.23Å; W6-L77 PolarHBondContact O-N 3.1Å |
| 7 | V | 90.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 68.9 Ų | 68.9 | 4% | 0.042 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 124.7 | 175.8 | -162 | 0 | 0 | 0 | 0 | 109.7 | V5 G9 V10 L30 I34 L77 | V5-V7 HydrophobicContact CG1-CG2 4.38Å; V7-G9 PolarHBondContact O-N 2.84Å; V7-G9 VanDerWaalsContact O-N 3.13Å; V7-V10 PolarHBondContact N-O 2.89Å; V7-V10 PolarHBondContact O-N 3.22Å; V7-L30 HydrophobicContact CG2-CD2 4.38Å; V7-I34 HydrophobicContact CB-CD1 3.92Å; V7-I34 HydrophobicContact CG1-CD1 3.37Å; V7-I34 HydrophobicContact CG2-CD1 4.1Å; V7-L77 HydrophobicContact CB-CB 4.39Å; V7-L77 HydrophobicContact CG1-CB 4.11Å; V7-L77 HydrophobicContact CG1-CD2 4.05Å; V7-L77 HydrophobicContact CG1-CG 4.4Å; V7-L77 HydrophobicContact CG2-CB 3.8Å; V7-L77 HydrophobicContact CG2-CD2 4.06Å |
| 8 | D | 85.4 | Confident | 89.8 | Confident | 106 Ų | 106 | 68.7 Ų | 68.7 | 57% | 0.567 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 36.4 | -176 | -68.1 | -19.2 | 0 | 0 | 0 | 113.4 | V10 R36 | D8-V10 VanDerWaalsContact C-N 3.28Å; D8-V10 PolarHBondContact O-N 3.25Å; D8-R36 IonicContact OD2-NH1 3.28Å; D8-R36 PolarHBondContact OD2-NH1 2.67Å; D8-R36 VanDerWaalsContact OD2-NH1 3.08Å |
| 9 | G | 85.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 71.2 Ų | 71.2 | 63% | 0.629 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.5 | 1.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | W6 V7 | W6-G9 VanDerWaalsContact CZ3-O 3.31Å; W6-G9 WeakPolarHBondContact CZ3-O 3.26Å; V7-G9 PolarHBondContact O-N 2.84Å; V7-G9 VanDerWaalsContact O-N 3.13Å |
| 10 | V | 89.2 | Confident | 89.8 | Confident | 80 Ų | 80 | 73.5 Ų | 73.5 | 49% | 0.485 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 128 | 176 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | V7 D8 | V7-V10 PolarHBondContact N-O 2.89Å; V7-V10 PolarHBondContact O-N 3.22Å; D8-V10 VanDerWaalsContact C-N 3.28Å; D8-V10 PolarHBondContact O-N 3.25Å |
| 11 | Q | 91.8 | Very high | 89.8 | Confident | 95 Ų | 95 | 71 Ų | 71 | 44% | 0.444 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 128.2 | 174.7 | -169.7 | 174.6 | 43.3 | 0 | 0 | 110.6 | W6 | W6-Q11 HydrophobicContact CD2-CB 4.06Å; W6-Q11 HydrophobicContact CD2-CG 4.48Å; W6-Q11 HydrophobicContact CE3-CB 4.09Å; W6-Q11 HydrophobicContact CH2-CB 4.1Å; W6-Q11 HydrophobicContact CZ2-CB 4.06Å; W6-Q11 HydrophobicContact CZ2-CG 4.37Å; W6-Q11 HydrophobicContact CZ3-CB 4.11Å |
| 12 | R | 91.5 | Very high | 90.2 | Very high | 101 Ų | 101 | 66.2 Ų | 66.2 | 38% | 0.381 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.2 | 174.9 | -64.2 | -174.9 | 179.1 | -88.2 | -0.2 | 109.7 | V5 L30 | V5-R12 PolarHBondContact N-O 3.38Å; V5-R12 PolarHBondContact O-N 2.82Å; V5-R12 VanDerWaalsContact O-O 3.09Å; R12-L30 HydrophobicContact CB-CD2 4.24Å |
| 13 | I | 91.2 | Very high | 90.3 | Very high | 91 Ų | 91 | 60.4 Ų | 60.4 | 47% | 0.467 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 124.3 | -179.6 | -56 | 177.5 | 0 | 0 | 0 | 108.1 | E2 L3 K4 | E2-I13 HydrophobicContact CB-CG2 3.81Å; L3-I13 WeakPolarHBondContact O-CA 3.4Å; K4-I13 HydrophobicContact CG-CG1 4.44Å |
| 14 | V | 91.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 64.6 Ų | 64.6 | 13% | 0.127 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 114.6 | 172.2 | -174.3 | 0 | 0 | 0 | 0 | 107.8 | L3 V17 V26 L30 | L3-V14 HydrophobicContact CB-CB 4.41Å; L3-V14 PolarHBondContact N-O 2.94Å; L3-V14 PolarHBondContact O-N 2.82Å; V14-V17 HydrophobicContact CB-CG2 4.04Å; V14-V17 HydrophobicContact CG1-CG2 3.69Å; V14-V26 HydrophobicContact CG2-CG1 4.23Å; V14-L30 HydrophobicContact CG2-CD1 4.16Å; V14-L30 HydrophobicContact CG2-CD2 3.57Å; V14-L30 HydrophobicContact CG2-CG 3.77Å |
| 15 | C | 89.9 | Confident | 90.2 | Very high | 102 Ų | 102 | 64.5 Ų | 64.5 | 69% | 0.689 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 150.6 | 178.3 | -61.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 16 | G | 88.3 | Confident | 90.1 | Very high | 60 Ų | 60 | 64.6 Ų | 64.6 | 62% | 0.619 | 37% | 0.366 | S | S | * | . | S | Bend | trans | 84.5 | 14.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | M1 | M1-G16 PolarHBondContact O-N 3.36Å; M1-G16 VanDerWaalsContact O-N 3.14Å |
| 17 | V | 89.7 | Confident | 89.9 | Confident | 3 Ų | 3 | 60.9 Ų | 60.9 | 2% | 0.018 | 35% | 0.352 | C | S | . | . | trans | -74.1 | 135.3 | 178.5 | -169.8 | 0 | 0 | 0 | 0 | 110.1 | M1 L3 V14 T21 P59 I60 | M1-V17 WeakPolarHBondContact CB-O 3.35Å; M1-V17 PolarHBondContact N-O 3.25Å; M1-V17 PolarHBondContact O-N 2.8Å; L3-V17 HydrophobicContact CB-CB 4.35Å; L3-V17 HydrophobicContact CB-CG2 3.8Å; L3-V17 HydrophobicContact CD2-CG1 4.5Å; L3-V17 HydrophobicContact CD2-CG2 4.46Å; V14-V17 HydrophobicContact CB-CG2 4.04Å; V14-V17 HydrophobicContact CG1-CG2 3.69Å; V17-T21 HydrophobicContact CG1-CG2 4.12Å; V17-P59 HydrophobicContact CG1-CG 4.46Å; V17-I60 HydrophobicContact CB-CD1 4.39Å; V17-I60 HydrophobicContact CB-CG1 4.47Å; V17-I60 HydrophobicContact CG1-CD1 3.87Å; V17-I60 HydrophobicContact CG1-CG1 3.58Å | ||
| 18 | T | 90.2 | Very high | 89.8 | Confident | 65 Ų | 65 | 62.8 Ų | 62.8 | 40% | 0.399 | 36% | 0.361 | S | S | . | . | trans | -124.4 | 174.4 | 179.5 | 64.7 | 0 | 0 | 0 | 0 | 110.9 | V20 T21 | T18-V20 PolarHBondContact O-N 2.94Å; T18-V20 VanDerWaalsContact OG1-CG2 3.24Å; T18-V20 WeakPolarHBondContact OG1-CG2 3.49Å; T18-T21 PolarHBondContact N-OG1 3.46Å; T18-T21 WeakPolarHBondContact O-CB 3.26Å; T18-T21 PolarHBondContact O-N 2.82Å; T18-T21 PolarHBondContact O-OG1 3.41Å; T18-T21 PolarHBondContact OG1-OG1 3.42Å | ||
| 19 | E | 88.3 | Confident | 90 | Very high | 116 Ų | 116 | 59.9 Ų | 59.9 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.7 | 177.8 | -64.2 | 179.3 | -178.5 | 0 | 0 | 113 | N58 I60 | E19-N58 PolarHBondContact O-ND2 3.28Å; E19-I60 HydrophobicContact CG-CG2 4.2Å |
| 20 | V | 90.5 | Very high | 90.2 | Very high | 116 Ų | 116 | 57.3 Ų | 57.3 | 70% | 0.703 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -13.2 | 178.8 | -62.9 | 0 | 0 | 0 | 0 | 113.6 | T18 T22 N58 | T18-V20 PolarHBondContact O-N 2.94Å; T18-V20 VanDerWaalsContact OG1-CG2 3.24Å; T18-V20 WeakPolarHBondContact OG1-CG2 3.49Å; V20-T22 PolarHBondContact O-N 3.4Å; V20-N58 PolarHBondContact O-ND2 3.02Å |
| 21 | T | 91.3 | Very high | 90.1 | Very high | 21 Ų | 21 | 53.6 Ų | 53.6 | 13% | 0.129 | 30% | 0.301 | C | S | . | . | trans | -66.6 | 129.3 | 179.9 | -53.9 | 0 | 0 | 0 | 0 | 109.9 | V17 T18 E25 V26 N58 P59 | V17-T21 HydrophobicContact CG1-CG2 4.12Å; T18-T21 PolarHBondContact N-OG1 3.46Å; T18-T21 WeakPolarHBondContact O-CB 3.26Å; T18-T21 PolarHBondContact O-N 2.82Å; T18-T21 PolarHBondContact O-OG1 3.41Å; T18-T21 PolarHBondContact OG1-OG1 3.42Å; T21-E25 WeakPolarHBondContact CA-OE2 3.24Å; T21-E25 HydrophobicContact CG2-CB 4.15Å; T21-E25 WeakPolarHBondContact CG2-OE2 3.18Å; T21-V26 HydrophobicContact CG2-CG2 3.81Å; T21-N58 PolarHBondContact O-ND2 2.98Å; T21-P59 VanDerWaalsContact O-CD 3.29Å; T21-P59 WeakPolarHBondContact O-CD 3.46Å | ||
| 22 | T | 92.1 | Very high | 89.9 | Confident | 33 Ų | 33 | 55.6 Ų | 55.6 | 20% | 0.202 | 31% | 0.311 | C | S | . | . | trans | -89.3 | 157.8 | -178.3 | 61.3 | 0 | 0 | 0 | 0 | 112 | V20 Q24 E25 V26 E57 | V20-T22 PolarHBondContact O-N 3.4Å; T22-Q24 PolarHBondContact O-N 2.78Å; T22-E25 PolarHBondContact N-OE2 3.4Å; T22-E25 PolarHBondContact O-N 3.22Å; T22-E25 WeakPolarHBondContact OG1-CG 3.26Å; T22-E25 PolarHBondContact OG1-N 2.84Å; T22-V26 PolarHBondContact O-N 3.39Å; T22-E57 CarbonylContact C-O 3.47Å | ||
| 23 | C | 89.8 | Confident | 89.6 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58.2 | -36.8 | 173.1 | -69.8 | 0 | 0 | 0 | 0 | 111 | E25 V26 V27 L42 E57 I417 | C23-E25 PolarHBondContact O-N 2.85Å; C23-V26 PolarHBondContact O-N 3.49Å; C23-V27 WeakPolarHBondContact O-CB 3.49Å; C23-V27 VanDerWaalsContact O-CG2 3.23Å; C23-V27 WeakPolarHBondContact O-CG2 3.33Å; C23-V27 PolarHBondContact O-N 3.08Å; C23-L42 HydrophobicContact CB-CD2 4.42Å; C23-E57 PolarHBondContact N-O 2.86Å; C23-E57 PolarHBondContact SG-O 3.44Å; C23-I417 HydrophobicContact CB-CD1 4.34Å |
| 24 | Q | 90 | Very high | 89.3 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -55.5 | -49.5 | 173.8 | -179.5 | 173.8 | -8.5 | 0 | 0 | 112.6 | T22 V26 V27 I28 P55 I417 | T22-Q24 PolarHBondContact O-N 2.78Å; Q24-V26 PolarHBondContact O-N 2.78Å; Q24-V27 PolarHBondContact O-N 2.76Å; Q24-I28 HydrophobicContact CG-CD1 3.77Å; Q24-I28 WeakPolarHBondContact O-CB 3.44Å; Q24-I28 WeakPolarHBondContact O-CG1 3.18Å; Q24-I28 PolarHBondContact O-N 2.89Å; Q24-P55 HydrophobicContact CB-CB 4.44Å; Q24-P55 WeakPolarHBondContact CB-O 3.21Å; Q24-P55 PolarHBondContact N-O 2.76Å; Q24-P55 VanDerWaalsContact N-O 3.08Å; Q24-I417 HydrophobicContact CB-CG2 4.48Å; Q24-I417 HydrophobicContact CG-CG2 4.08Å |
| 25 | E | 90.8 | Very high | 88.9 | Confident | 104 Ų | 104 | 53.8 Ų | 53.8 | 49% | 0.486 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 179.1 | -71.9 | 166.7 | 177.3 | 0 | 0 | 112.3 | T21 T22 C23 I28 A29 | T21-E25 WeakPolarHBondContact CA-OE2 3.24Å; T21-E25 HydrophobicContact CG2-CB 4.15Å; T21-E25 WeakPolarHBondContact CG2-OE2 3.18Å; T22-E25 PolarHBondContact N-OE2 3.4Å; T22-E25 PolarHBondContact O-N 3.22Å; T22-E25 WeakPolarHBondContact OG1-CG 3.26Å; T22-E25 PolarHBondContact OG1-N 2.84Å; C23-E25 PolarHBondContact O-N 2.85Å; E25-I28 PolarHBondContact O-N 3.11Å; E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.37Å |
| 26 | V | 90.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.018 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.1 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | L3 V14 T21 T22 C23 Q24 A29 L30 P59 | L3-V26 HydrophobicContact CD2-CG1 4.1Å; L3-V26 HydrophobicContact CD2-CG2 4.45Å; V14-V26 HydrophobicContact CG2-CG1 4.23Å; T21-V26 HydrophobicContact CG2-CG2 3.81Å; T22-V26 PolarHBondContact O-N 3.39Å; C23-V26 PolarHBondContact O-N 3.49Å; Q24-V26 PolarHBondContact O-N 2.78Å; V26-A29 PolarHBondContact O-N 2.83Å; V26-L30 HydrophobicContact CG1-CD1 3.93Å; V26-L30 HydrophobicContact CG1-CG 4.49Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 3.32Å; V26-P59 HydrophobicContact CG2-CG 4.06Å |
| 27 | V | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 178.8 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | C23 Q24 L30 A31 Y40 L42 L77 I417 V419 | C23-V27 WeakPolarHBondContact O-CB 3.49Å; C23-V27 VanDerWaalsContact O-CG2 3.23Å; C23-V27 WeakPolarHBondContact O-CG2 3.33Å; C23-V27 PolarHBondContact O-N 3.08Å; Q24-V27 PolarHBondContact O-N 2.76Å; V27-L30 PolarHBondContact O-N 3.44Å; V27-A31 VanDerWaalsContact O-CB 3.26Å; V27-A31 WeakPolarHBondContact O-CB 3.19Å; V27-A31 PolarHBondContact O-N 2.84Å; V27-Y40 HydrophobicContact CG1-CD2 4.48Å; V27-Y40 HydrophobicContact CG1-CG 4.34Å; V27-L42 HydrophobicContact CG2-CB 4.02Å; V27-L77 HydrophobicContact CB-CD1 4.38Å; V27-L77 HydrophobicContact CG1-CD1 4.09Å; V27-L77 HydrophobicContact CG2-CD1 3.66Å; V27-I417 HydrophobicContact CB-CB 4.5Å; V27-I417 HydrophobicContact CB-CD1 3.82Å; V27-I417 HydrophobicContact CB-CG2 4.26Å; V27-I417 HydrophobicContact CG1-CB 3.99Å; V27-I417 HydrophobicContact CG1-CD1 4.14Å; V27-I417 HydrophobicContact CG1-CG2 3.86Å; V27-I417 HydrophobicContact CG2-CD1 3.57Å; V27-V419 HydrophobicContact CG1-CG2 3.68Å |
| 28 | I | 87.7 | Confident | 88 | Confident | 47 Ų | 47 | 54.8 Ų | 54.8 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -48.9 | 174.5 | -69.5 | 165.8 | 0 | 0 | 0 | 110.2 | Q24 E25 L30 A31 Q32 V419 | Q24-I28 HydrophobicContact CG-CD1 3.77Å; Q24-I28 WeakPolarHBondContact O-CB 3.44Å; Q24-I28 WeakPolarHBondContact O-CG1 3.18Å; Q24-I28 PolarHBondContact O-N 2.89Å; E25-I28 PolarHBondContact O-N 3.11Å; I28-L30 PolarHBondContact O-N 2.88Å; I28-A31 PolarHBondContact O-N 2.69Å; I28-Q32 HydrophobicContact CG2-CG 4.3Å; I28-Q32 WeakPolarHBondContact O-CB 3.45Å; I28-Q32 VanDerWaalsContact O-CG 3.25Å; I28-Q32 WeakPolarHBondContact O-CG 3.24Å; I28-Q32 PolarHBondContact O-N 2.78Å; I28-V419 HydrophobicContact CB-CG1 4.34Å; I28-V419 HydrophobicContact CB-CG2 4.48Å; I28-V419 HydrophobicContact CG1-CG1 4.19Å; I28-V419 HydrophobicContact CG1-CG2 3.9Å; I28-V419 HydrophobicContact CG2-CG1 4.3Å |
| 29 | A | 89.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 52.8 Ų | 52.8 | 38% | 0.38 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61 | -43 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | E25 V26 A33 | E25-A29 WeakPolarHBondContact O-CB 3.44Å; E25-A29 PolarHBondContact O-N 3.37Å; V26-A29 PolarHBondContact O-N 2.83Å; A29-A33 VanDerWaalsContact O-CB 3.29Å; A29-A33 WeakPolarHBondContact O-CB 3.45Å; A29-A33 PolarHBondContact O-N 3.38Å |
| 30 | L | 90.4 | Very high | 87.7 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.037 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.9 | -46 | 177.5 | -77 | 170.4 | 0 | 0 | 0 | 112.4 | V5 V7 R12 V14 V26 V27 I28 A33 I34 L77 | V5-L30 HydrophobicContact CB-CD1 3.91Å; V5-L30 HydrophobicContact CG1-CD1 3.66Å; V5-L30 HydrophobicContact CG2-CD1 4.11Å; V7-L30 HydrophobicContact CG2-CD2 4.38Å; R12-L30 HydrophobicContact CB-CD2 4.24Å; V14-L30 HydrophobicContact CG2-CD1 4.16Å; V14-L30 HydrophobicContact CG2-CD2 3.57Å; V14-L30 HydrophobicContact CG2-CG 3.77Å; V26-L30 HydrophobicContact CG1-CD1 3.93Å; V26-L30 HydrophobicContact CG1-CG 4.49Å; V26-L30 WeakPolarHBondContact O-CB 3.35Å; V26-L30 WeakPolarHBondContact O-CG 3.4Å; V26-L30 PolarHBondContact O-N 3.32Å; V27-L30 PolarHBondContact O-N 3.44Å; I28-L30 PolarHBondContact O-N 2.88Å; L30-A33 PolarHBondContact O-N 3.44Å; L30-I34 WeakPolarHBondContact O-CD1 3.29Å; L30-I34 VanDerWaalsContact O-CG1 3.22Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 2.87Å; L30-L77 HydrophobicContact CB-CD2 3.72Å; L30-L77 HydrophobicContact CD1-CD2 4.02Å |
| 31 | A | 87.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -39 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | V27 I28 I34 G35 R36 Y40 V419 | V27-A31 VanDerWaalsContact O-CB 3.26Å; V27-A31 WeakPolarHBondContact O-CB 3.19Å; V27-A31 PolarHBondContact O-N 2.84Å; I28-A31 PolarHBondContact O-N 2.69Å; A31-I34 PolarHBondContact O-N 2.95Å; A31-G35 PolarHBondContact O-N 2.88Å; A31-R36 PolarHBondContact O-N 3.39Å; A31-R36 VanDerWaalsContact O-N 3.12Å; A31-Y40 HydrophobicContact CB-CD2 4.01Å; A31-Y40 HydrophobicContact CB-CE2 3.64Å; A31-V419 HydrophobicContact CB-CB 3.82Å; A31-V419 HydrophobicContact CB-CG1 3.69Å; A31-V419 HydrophobicContact CB-CG2 3.88Å |
| 32 | Q | 85.8 | Confident | 87.6 | Confident | 138 Ų | 138 | 41.2 Ų | 41.2 | 65% | 0.645 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.7 | -42.6 | 172 | -73.7 | 178.3 | -2.9 | 0 | 0 | 112 | I28 I34 G35 | I28-Q32 HydrophobicContact CG2-CG 4.3Å; I28-Q32 WeakPolarHBondContact O-CB 3.45Å; I28-Q32 VanDerWaalsContact O-CG 3.25Å; I28-Q32 WeakPolarHBondContact O-CG 3.24Å; I28-Q32 PolarHBondContact O-N 2.78Å; Q32-I34 VanDerWaalsContact C-N 3.26Å; Q32-I34 PolarHBondContact O-N 3.3Å; Q32-G35 PolarHBondContact O-N 3.45Å |
| 33 | A | 86.2 | Confident | 87.6 | Confident | 75 Ų | 75 | 39.9 Ų | 39.9 | 62% | 0.62 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -65.9 | -28 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A29 L30 | A29-A33 VanDerWaalsContact O-CB 3.29Å; A29-A33 WeakPolarHBondContact O-CB 3.45Å; A29-A33 PolarHBondContact O-N 3.38Å; L30-A33 PolarHBondContact O-N 3.44Å |
| 34 | I | 85.6 | Confident | 87.6 | Confident | 34 Ų | 34 | 40 Ų | 40 | 17% | 0.174 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -83.7 | -16.5 | 174.5 | -64.5 | 163.1 | 0 | 0 | 0 | 111.3 | V7 L30 A31 Q32 R36 | V7-I34 HydrophobicContact CB-CD1 3.92Å; V7-I34 HydrophobicContact CG1-CD1 3.37Å; V7-I34 HydrophobicContact CG2-CD1 4.1Å; L30-I34 WeakPolarHBondContact O-CD1 3.29Å; L30-I34 VanDerWaalsContact O-CG1 3.22Å; L30-I34 WeakPolarHBondContact O-CG1 3.44Å; L30-I34 PolarHBondContact O-N 2.87Å; A31-I34 PolarHBondContact O-N 2.95Å; Q32-I34 VanDerWaalsContact C-N 3.26Å; Q32-I34 PolarHBondContact O-N 3.3Å; I34-R36 VanDerWaalsContact C-N 3.26Å; I34-R36 HydrophobicContact CG2-CB 4.02Å; I34-R36 HydrophobicContact CG2-CG 3.88Å; I34-R36 PolarHBondContact O-N 3.5Å |
| 35 | G | 82.9 | Confident | 87.6 | Confident | 66 Ų | 66 | 39 Ų | 39 | 68% | 0.68 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 68.7 | 25.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A31 Q32 | A31-G35 PolarHBondContact O-N 2.88Å; Q32-G35 PolarHBondContact O-N 3.45Å |
| 36 | R | 83.4 | Confident | 87.5 | Confident | 128 Ų | 128 | 36.2 Ų | 36.2 | 48% | 0.483 | 21% | 0.205 | S | C | . | . | trans | -126.7 | 115.3 | -178.2 | -69.5 | -178.8 | -177 | 153.7 | 0.1 | 110.1 | D8 A31 I34 Y40 | D8-R36 IonicContact OD2-NH1 3.28Å; D8-R36 PolarHBondContact OD2-NH1 2.67Å; D8-R36 VanDerWaalsContact OD2-NH1 3.08Å; A31-R36 PolarHBondContact O-N 3.39Å; A31-R36 VanDerWaalsContact O-N 3.12Å; I34-R36 VanDerWaalsContact C-N 3.26Å; I34-R36 HydrophobicContact CG2-CB 4.02Å; I34-R36 HydrophobicContact CG2-CG 3.88Å; I34-R36 PolarHBondContact O-N 3.5Å; R36-Y40 VanDerWaalsContact CB-OH 3.3Å; R36-Y40 WeakPolarHBondContact CB-OH 3.44Å; R36-Y40 WeakPolarHBondContact O-CE2 3.41Å; R36-Y40 PolarHBondContact O-OH 3.41Å | ||
| 37 | T | 81.5 | Confident | 87.3 | Confident | 55 Ų | 55 | 44.1 Ų | 44.1 | 34% | 0.337 | 23% | 0.234 | S | C | . | . | trans | -82.4 | 164.4 | 173.6 | 53.6 | 0 | 0 | 0 | 0 | 111.1 | S83 S85 V419 | T37-S83 WeakPolarHBondContact O-CB 3.49Å; T37-S85 PolarHBondContact OG1-OG 2.85Å; T37-V419 WeakPolarHBondContact CA-O 3.2Å; T37-V419 VanDerWaalsContact CB-O 3.24Å; T37-V419 WeakPolarHBondContact CB-O 3.45Å | ||
| 38 | G | 83.5 | Confident | 87 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | S | Bend | trans | 137.5 | -171 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y40 V419 | G38-Y40 WeakPolarHBondContact O-CD2 3.4Å; G38-V419 PolarHBondContact N-O 3.15Å; G38-V419 PolarHBondContact O-N 2.65Å |
| 39 | R | 84.7 | Confident | 86.9 | Confident | 24 Ų | 24 | 53.4 Ų | 53.4 | 9% | 0.091 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 116.2 | -176.5 | -166 | -176.6 | -162 | -163.3 | 3.6 | 110 | R79 T80 G81 N413 I417 Y418 | R39-R79 CarbonylContact O-C 3.54Å; R39-R79 WeakPolarHBondContact O-CA 3.35Å; R39-T80 PolarHBondContact O-N 3.44Å; R39-G81 PolarHBondContact O-N 3.02Å; R39-N413 PolarHBondContact NH2-O 2.67Å; R39-I417 CarbonylContact C-O 3.58Å; R39-I417 WeakPolarHBondContact CA-O 3.04Å; R39-Y418 HydrophobicContact CB-CD1 4.26Å; R39-Y418 HydrophobicContact CB-CE1 4.02Å; R39-Y418 HydrophobicContact CG-CD2 4.32Å; R39-Y418 HydrophobicContact CG-CE1 4.26Å; R39-Y418 HydrophobicContact CG-CE2 4.05Å |
| 40 | Y | 87.8 | Confident | 86.9 | Confident | 8 Ų | 8 | 55.9 Ų | 55.9 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 147.5 | 179.7 | -65.7 | -83.6 | 0 | 0 | 0 | 111.1 | V27 A31 R36 G38 L77 R78 R79 G416 I417 V419 | V27-Y40 HydrophobicContact CG1-CD2 4.48Å; V27-Y40 HydrophobicContact CG1-CG 4.34Å; A31-Y40 HydrophobicContact CB-CD2 4.01Å; A31-Y40 HydrophobicContact CB-CE2 3.64Å; R36-Y40 VanDerWaalsContact CB-OH 3.3Å; R36-Y40 WeakPolarHBondContact CB-OH 3.44Å; R36-Y40 WeakPolarHBondContact O-CE2 3.41Å; R36-Y40 PolarHBondContact O-OH 3.41Å; G38-Y40 WeakPolarHBondContact O-CD2 3.4Å; Y40-L77 HydrophobicContact CD1-CD1 4.28Å; Y40-L77 HydrophobicContact CD1-CD2 4.12Å; Y40-L77 HydrophobicContact CD1-CG 3.92Å; Y40-L77 HydrophobicContact CG-CD1 4.33Å; Y40-L77 HydrophobicContact CG-CG 4.43Å; Y40-R78 CarbonylContact C-O 3.58Å; Y40-R78 WeakPolarHBondContact CA-O 3.32Å; Y40-R79 HydrophobicContact CD1-CB 3.87Å; Y40-R79 HydrophobicContact CD1-CG 4.2Å; Y40-R79 HydrophobicContact CE1-CB 3.69Å; Y40-R79 HydrophobicContact CE1-CG 3.84Å; Y40-G416 CarbonylContact O-C 3.54Å; Y40-I417 PolarHBondContact N-O 2.94Å; Y40-I417 PolarHBondContact O-N 2.87Å; Y40-V419 HydrophobicContact CD2-CB 4.43Å; Y40-V419 HydrophobicContact CD2-CG2 4.15Å |
| 41 | T | 88.5 | Confident | 86.7 | Confident | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 129.9 | 172.1 | -48 | 0 | 0 | 0 | 0 | 107.5 | I43 H52 R78 T80 | T41-I43 HydrophobicContact CG2-CG1 4.49Å; T41-H52 HydrophobicContact CG2-CB 4.14Å; T41-H52 WeakPolarHBondContact CG2-ND1 3.48Å; T41-R78 PolarHBondContact N-O 2.97Å; T41-R78 PolarHBondContact O-N 3.27Å; T41-T80 PolarHBondContact OG1-OG1 3.25Å |
| 42 | L | 90.9 | Very high | 86.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 126.5 | 172.9 | -168.9 | 64.2 | 0 | 0 | 0 | 108.2 | V5 C23 V27 L53 P59 L75 L77 | V5-L42 HydrophobicContact CG1-CD1 3.74Å; C23-L42 HydrophobicContact CB-CD2 4.42Å; V27-L42 HydrophobicContact CG2-CB 4.02Å; L42-L53 HydrophobicContact CB-CB 4.4Å; L42-L53 HydrophobicContact CB-CD1 4.36Å; L42-L53 HydrophobicContact CD2-CD1 3.75Å; L42-L53 HydrophobicContact CG-CD1 3.96Å; L42-L53 WeakPolarHBondContact O-CB 3.24Å; L42-L53 PolarHBondContact O-N 3.3Å; L42-P59 HydrophobicContact CD2-CB 4.46Å; L42-L75 HydrophobicContact CD1-CB 4.37Å; L42-L77 HydrophobicContact CD1-CB 4.46Å; L42-L77 HydrophobicContact CD1-CD1 4.32Å |
| 43 | I | 90.9 | Very high | 86.9 | Confident | 6 Ų | 6 | 56 Ų | 56 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.3 | -174.6 | -54.9 | 178.7 | 0 | 0 | 0 | 108.1 | T41 E50 R51 L75 I76 R78 | T41-I43 HydrophobicContact CG2-CG1 4.49Å; I43-E50 HydrophobicContact CG2-CB 4.12Å; I43-R51 CarbonylContact C-O 3.56Å; I43-R51 WeakPolarHBondContact CA-O 3.4Å; I43-L75 CarbonylContact O-C 3.58Å; I43-L75 WeakPolarHBondContact O-CA 3.43Å; I43-I76 PolarHBondContact N-O 2.78Å; I43-I76 PolarHBondContact O-N 3.43Å; I43-R78 HydrophobicContact CD1-CB 3.73Å; I43-R78 HydrophobicContact CD1-CG 4.41Å; I43-R78 HydrophobicContact CG1-CB 4.48Å |
| 44 | E | 90.5 | Very high | 86.9 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.009 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 119.6 | 166.9 | -38.5 | -164.4 | 133.2 | 0 | 0 | 108.6 | E50 R51 L53 S62 W66 V73 L75 | E44-E50 WeakPolarHBondContact O-CA 3.49Å; E44-R51 PolarHBondContact N-O 2.81Å; E44-R51 PolarHBondContact O-N 2.97Å; E44-R51 IonicContact OE2-NH1 2.6Å; E44-L53 HydrophobicContact CG-CD1 3.53Å; E44-L53 HydrophobicContact CG-CD2 3.79Å; E44-L53 HydrophobicContact CG-CG 3.55Å; E44-L53 WeakPolarHBondContact OE1-CD1 3.39Å; E44-S62 WeakPolarHBondContact OE1-CB 3.46Å; E44-W66 PolarHBondContact OE2-NE1 3.14Å; E44-V73 HydrophobicContact CB-CG1 3.99Å; E44-L75 HydrophobicContact CB-CD2 4.03Å; E44-L75 HydrophobicContact CG-CD2 3.53Å |
| 45 | K | 90.9 | Very high | 86.9 | Confident | 73 Ų | 73 | 52.6 Ų | 52.6 | 32% | 0.317 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 124.5 | 176.9 | -179.6 | 168.7 | -174.5 | 146.2 | 0 | 109.8 | E50 Q74 I76 | K45-E50 HydrophobicContact CB-CG 4.22Å; K45-E50 HydrophobicContact CD-CG 4.11Å; K45-E50 WeakPolarHBondContact CD-OE1 3.39Å; K45-E50 WeakPolarHBondContact CE-OE1 3.5Å; K45-E50 HydrophobicContact CG-CG 3.92Å; K45-E50 IonicContact NZ-OE1 2.81Å; K45-E50 PolarHBondContact NZ-OE1 3.39Å; K45-Q74 PolarHBondContact N-O 2.88Å; K45-Q74 PolarHBondContact O-N 3.02Å; K45-I76 HydrophobicContact CB-CD1 3.89Å; K45-I76 HydrophobicContact CD-CD1 3.83Å |
| 46 | W | 87.5 | Confident | 87.1 | Confident | 45 Ų | 45 | 56.2 Ų | 56.2 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 114.2 | 170.7 | -178.2 | 81.3 | 0 | 0 | 0 | 109.3 | D48 T49 W66 Y69 V73 | W46-D48 PolarHBondContact O-N 3.15Å; W46-D48 VanDerWaalsContact O-N 3.15Å; W46-T49 PolarHBondContact N-O 3.45Å; W46-T49 PolarHBondContact O-N 3.03Å; W46-T49 VanDerWaalsContact O-O 3.13Å; W46-W66 HydrophobicContact CB-CH2 4.4Å; W46-W66 HydrophobicContact CD2-CZ3 4.24Å; W46-W66 HydrophobicContact CE3-CZ3 4.23Å; W46-W66 HydrophobicContact CG-CZ3 4.4Å; W46-Y69 HydrophobicContact CZ2-CD1 4.25Å; W46-V73 HydrophobicContact CB-CG2 4.19Å; W46-V73 HydrophobicContact CG-CG2 4.32Å |
| 47 | R | 86.2 | Confident | 87.4 | Confident | 168 Ų | 168 | 51.9 Ų | 51.9 | 63% | 0.634 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | -117.1 | -174.5 | -58.9 | -177.2 | 176 | -172.9 | -1.5 | 111.4 | ||
| 48 | D | 84.6 | Confident | 87.8 | Confident | 165 Ų | 165 | 51 Ų | 51 | 88% | 0.882 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 5.8 | -179.5 | -55 | -48.4 | 0 | 0 | 0 | 113.1 | W46 | W46-D48 PolarHBondContact O-N 3.15Å; W46-D48 VanDerWaalsContact O-N 3.15Å |
| 49 | T | 86 | Confident | 88.1 | Confident | 77 Ų | 77 | 50.9 Ų | 50.9 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 124.9 | 179 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | W46 | W46-T49 PolarHBondContact N-O 3.45Å; W46-T49 PolarHBondContact O-N 3.03Å; W46-T49 VanDerWaalsContact O-O 3.13Å |
| 50 | E | 88.8 | Confident | 88.3 | Confident | 98 Ų | 98 | 50.1 Ų | 50.1 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.1 | 174 | -65.7 | -177.7 | 179.9 | 0 | 0 | 108.9 | I43 E44 K45 | I43-E50 HydrophobicContact CG2-CB 4.12Å; E44-E50 WeakPolarHBondContact O-CA 3.49Å; K45-E50 HydrophobicContact CB-CG 4.22Å; K45-E50 HydrophobicContact CD-CG 4.11Å; K45-E50 WeakPolarHBondContact CD-OE1 3.39Å; K45-E50 WeakPolarHBondContact CE-OE1 3.5Å; K45-E50 HydrophobicContact CG-CG 3.92Å; K45-E50 IonicContact NZ-OE1 2.81Å; K45-E50 PolarHBondContact NZ-OE1 3.39Å |
| 51 | R | 88.1 | Confident | 88.3 | Confident | 83 Ų | 83 | 53.1 Ų | 53.1 | 31% | 0.313 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 129.2 | 178.5 | -178.9 | 176.4 | 176.7 | -112.4 | -10.9 | 109.6 | I43 E44 E57 | I43-R51 CarbonylContact C-O 3.56Å; I43-R51 WeakPolarHBondContact CA-O 3.4Å; E44-R51 PolarHBondContact N-O 2.81Å; E44-R51 PolarHBondContact O-N 2.97Å; E44-R51 IonicContact OE2-NH1 2.6Å; R51-E57 IonicContact CZ-OE2 3.84Å; R51-E57 IonicContact NH1-OE2 2.61Å; R51-E57 PolarHBondContact NH1-OE2 3.26Å; R51-E57 IonicContact NH2-OE1 3.62Å; R51-E57 PolarHBondContact NH2-OE1 2.9Å; R51-E57 IonicContact NH2-OE2 3.03Å; R51-E57 PolarHBondContact NH2-OE2 2.9Å |
| 52 | H | 88.4 | Confident | 88.4 | Confident | 66 Ų | 66 | 53.1 Ų | 53.1 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 133.5 | 172.1 | -64.7 | -82.9 | 0 | 0 | 0 | 109.8 | T41 E415 | T41-H52 HydrophobicContact CG2-CB 4.14Å; T41-H52 WeakPolarHBondContact CG2-ND1 3.48Å; H52-E415 WeakPolarHBondContact CB-OE2 3.43Å; H52-E415 IonicContact CG-OE2 3.88Å |
| 53 | L | 87.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 127.4 | 174.9 | -69.6 | 174 | 0 | 0 | 0 | 110.1 | L42 E44 E57 L75 | L42-L53 HydrophobicContact CB-CB 4.4Å; L42-L53 HydrophobicContact CB-CD1 4.36Å; L42-L53 HydrophobicContact CD2-CD1 3.75Å; L42-L53 HydrophobicContact CG-CD1 3.96Å; L42-L53 WeakPolarHBondContact O-CB 3.24Å; L42-L53 PolarHBondContact O-N 3.3Å; E44-L53 HydrophobicContact CG-CD1 3.53Å; E44-L53 HydrophobicContact CG-CD2 3.79Å; E44-L53 HydrophobicContact CG-CG 3.55Å; E44-L53 WeakPolarHBondContact OE1-CD1 3.39Å; L53-E57 VanDerWaalsContact CD2-OE2 3.26Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.5Å; L53-L75 HydrophobicContact CD1-CD2 4.17Å |
| 54 | A | 86.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 7% | 0.066 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 154.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | H56 E57 E415 | A54-H56 PolarHBondContact O-N 3.41Å; A54-H56 VanDerWaalsContact O-N 3.13Å; A54-E57 HydrophobicContact CB-CG 4.16Å; A54-E57 PolarHBondContact O-N 3.21Å; A54-E57 VanDerWaalsContact O-N 3.07Å; A54-E415 HydrophobicContact CB-CG 4.48Å |
| 55 | P | 86.6 | Confident | 88 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 20% | 0.195 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -35.5 | -176.8 | -27.2 | 33.8 | 0 | 0 | 0 | 114.8 | Q24 E415 I417 | Q24-P55 HydrophobicContact CB-CB 4.44Å; Q24-P55 WeakPolarHBondContact CB-O 3.21Å; Q24-P55 PolarHBondContact N-O 2.76Å; Q24-P55 VanDerWaalsContact N-O 3.08Å; P55-E415 WeakPolarHBondContact CD-O 3.32Å; P55-I417 HydrophobicContact CB-CD1 4.42Å; P55-I417 HydrophobicContact CB-CG1 3.76Å; P55-I417 HydrophobicContact CG-CG1 3.74Å |
| 56 | H | 86.5 | Confident | 87.7 | Confident | 141 Ų | 141 | 65 Ų | 65 | 65% | 0.653 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -2 | -175.6 | 63.6 | -86.9 | 0 | 0 | 0 | 113.6 | A54 | A54-H56 PolarHBondContact O-N 3.41Å; A54-H56 VanDerWaalsContact O-N 3.13Å |
| 57 | E | 90.2 | Very high | 87.6 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 18% | 0.178 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -77.6 | 158.7 | 173.9 | -74.4 | -172.1 | -157.4 | 0 | 0 | 111.1 | T22 C23 R51 L53 A54 S62 | T22-E57 CarbonylContact C-O 3.47Å; C23-E57 PolarHBondContact N-O 2.86Å; C23-E57 PolarHBondContact SG-O 3.44Å; R51-E57 IonicContact CZ-OE2 3.84Å; R51-E57 IonicContact NH1-OE2 2.61Å; R51-E57 PolarHBondContact NH1-OE2 3.26Å; R51-E57 IonicContact NH2-OE1 3.62Å; R51-E57 PolarHBondContact NH2-OE1 2.9Å; R51-E57 IonicContact NH2-OE2 3.03Å; R51-E57 PolarHBondContact NH2-OE2 2.9Å; L53-E57 VanDerWaalsContact CD2-OE2 3.26Å; L53-E57 WeakPolarHBondContact CD2-OE2 3.5Å; A54-E57 HydrophobicContact CB-CG 4.16Å; A54-E57 PolarHBondContact O-N 3.21Å; A54-E57 VanDerWaalsContact O-N 3.07Å; E57-S62 PolarHBondContact OE2-OG 3.26Å |
| 58 | N | 90.8 | Very high | 87.6 | Confident | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.193 | 33% | 0.327 | C | S | . | . | trans | -108.1 | 118.1 | -178.7 | -56.8 | 65.3 | 0 | 0 | 0 | 108.3 | E19 V20 T21 I60 I61 S62 | E19-N58 PolarHBondContact O-ND2 3.28Å; V20-N58 PolarHBondContact O-ND2 3.02Å; T21-N58 PolarHBondContact O-ND2 2.98Å; N58-I60 VanDerWaalsContact C-N 3.28Å; N58-I60 PolarHBondContact O-N 2.8Å; N58-I61 HydrophobicContact CB-CB 4.03Å; N58-I61 HydrophobicContact CB-CD1 3.72Å; N58-I61 HydrophobicContact CB-CG1 3.75Å; N58-I61 PolarHBondContact O-N 3.45Å; N58-I61 VanDerWaalsContact O-N 3.1Å; N58-S62 PolarHBondContact O-N 3Å; N58-S62 PolarHBondContact O-OG 3.4Å | ||
| 59 | P | 88.2 | Confident | 87.6 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65 | -32 | -171.8 | 25.3 | -31.6 | 0 | 0 | 0 | 112.4 | L3 V17 T21 V26 L42 S62 L63 L75 | L3-P59 HydrophobicContact CD2-CB 3.99Å; L3-P59 HydrophobicContact CD2-CG 3.99Å; V17-P59 HydrophobicContact CG1-CG 4.46Å; T21-P59 VanDerWaalsContact O-CD 3.29Å; T21-P59 WeakPolarHBondContact O-CD 3.46Å; V26-P59 HydrophobicContact CG2-CG 4.06Å; L42-P59 HydrophobicContact CD2-CB 4.46Å; P59-S62 PolarHBondContact O-N 2.91Å; P59-L63 WeakPolarHBondContact O-CB 3.29Å; P59-L63 WeakPolarHBondContact O-CG 3.35Å; P59-L63 PolarHBondContact O-N 3.36Å; P59-L75 HydrophobicContact CB-CD1 4.4Å |
| 60 | I | 89.2 | Confident | 87.6 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 4% | 0.036 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | 175.5 | -60 | -61 | 0 | 0 | 0 | 111.2 | M1 L3 V17 E19 N58 S62 L63 N64 | M1-I60 HydrophobicContact CE-CG2 4.22Å; L3-I60 HydrophobicContact CD1-CD1 4Å; V17-I60 HydrophobicContact CB-CD1 4.39Å; V17-I60 HydrophobicContact CB-CG1 4.47Å; V17-I60 HydrophobicContact CG1-CD1 3.87Å; V17-I60 HydrophobicContact CG1-CG1 3.58Å; E19-I60 HydrophobicContact CG-CG2 4.2Å; N58-I60 VanDerWaalsContact C-N 3.28Å; N58-I60 PolarHBondContact O-N 2.8Å; I60-S62 VanDerWaalsContact C-N 3.35Å; I60-L63 PolarHBondContact O-N 3.08Å; I60-N64 WeakPolarHBondContact O-CB 3.36Å; I60-N64 VanDerWaalsContact O-CG 3.23Å; I60-N64 PolarHBondContact O-N 2.84Å |
| 61 | I | 89 | Confident | 87.3 | Confident | 71 Ų | 71 | 59.4 Ų | 59.4 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.9 | -41.7 | 177.2 | -57 | -177.9 | 0 | 0 | 0 | 109.5 | N58 N64 K65 | N58-I61 HydrophobicContact CB-CB 4.03Å; N58-I61 HydrophobicContact CB-CD1 3.72Å; N58-I61 HydrophobicContact CB-CG1 3.75Å; N58-I61 PolarHBondContact O-N 3.45Å; N58-I61 VanDerWaalsContact O-N 3.1Å; I61-N64 PolarHBondContact O-N 3.47Å; I61-K65 WeakPolarHBondContact O-CG 3.48Å; I61-K65 PolarHBondContact O-N 3.15Å |
| 62 | S | 88.9 | Confident | 87.3 | Confident | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 176.8 | -65.7 | 0 | 0 | 0 | 0 | 112.4 | E44 E57 N58 P59 I60 K65 | E44-S62 WeakPolarHBondContact OE1-CB 3.46Å; E57-S62 PolarHBondContact OE2-OG 3.26Å; N58-S62 PolarHBondContact O-N 3Å; N58-S62 PolarHBondContact O-OG 3.4Å; P59-S62 PolarHBondContact O-N 2.91Å; I60-S62 VanDerWaalsContact C-N 3.35Å; S62-K65 WeakPolarHBondContact O-CB 3.49Å; S62-K65 PolarHBondContact O-N 3.04Å |
| 63 | L | 89 | Confident | 87.4 | Confident | 26 Ų | 26 | 57.2 Ų | 57.2 | 14% | 0.136 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63 | -43 | 170.9 | -74 | 175.6 | 0 | 0 | 0 | 112.6 | L3 P59 I60 K65 W66 A70 V73 L75 | L3-L63 HydrophobicContact CD1-CD1 3.45Å; L3-L63 VanDerWaalsContact CD1-CD1 3.45Å; P59-L63 WeakPolarHBondContact O-CB 3.29Å; P59-L63 WeakPolarHBondContact O-CG 3.35Å; P59-L63 PolarHBondContact O-N 3.36Å; I60-L63 PolarHBondContact O-N 3.08Å; L63-K65 PolarHBondContact O-N 3.38Å; L63-W66 WeakPolarHBondContact O-CB 3.49Å; L63-W66 PolarHBondContact O-N 3.05Å; L63-A70 WeakPolarHBondContact O-CB 3.43Å; L63-V73 HydrophobicContact CD2-CB 3.87Å; L63-V73 HydrophobicContact CD2-CG1 3.74Å; L63-L75 HydrophobicContact CD1-CD1 4.18Å |
| 64 | N | 88.4 | Confident | 87.7 | Confident | 95 Ų | 95 | 61.6 Ų | 61.6 | 51% | 0.508 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -28.1 | 178.4 | -76 | -12.9 | 0 | 0 | 0 | 112.7 | I60 I61 W66 G67 | I60-N64 WeakPolarHBondContact O-CB 3.36Å; I60-N64 VanDerWaalsContact O-CG 3.23Å; I60-N64 PolarHBondContact O-N 2.84Å; I61-N64 PolarHBondContact O-N 3.47Å; N64-W66 PolarHBondContact O-N 3.44Å; N64-G67 PolarHBondContact O-N 2.76Å |
| 65 | K | 87.5 | Confident | 88 | Confident | 143 Ų | 143 | 61.3 Ų | 61.3 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -61.8 | -26.6 | 172.7 | -71.5 | 171.3 | -174.5 | 171.2 | 0 | 112.6 | I61 S62 L63 G67 | I61-K65 WeakPolarHBondContact O-CG 3.48Å; I61-K65 PolarHBondContact O-N 3.15Å; S62-K65 WeakPolarHBondContact O-CB 3.49Å; S62-K65 PolarHBondContact O-N 3.04Å; L63-K65 PolarHBondContact O-N 3.38Å; K65-G67 VanDerWaalsContact C-N 3.31Å |
| 66 | W | 85.1 | Confident | 88.3 | Confident | 67 Ų | 67 | 62.2 Ų | 62.2 | 25% | 0.254 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -13.2 | 174.8 | -66.2 | 101.8 | 0 | 0 | 0 | 113.3 | E44 W46 L63 N64 Q68 Y69 A70 V73 | E44-W66 PolarHBondContact OE2-NE1 3.14Å; W46-W66 HydrophobicContact CB-CH2 4.4Å; W46-W66 HydrophobicContact CD2-CZ3 4.24Å; W46-W66 HydrophobicContact CE3-CZ3 4.23Å; W46-W66 HydrophobicContact CG-CZ3 4.4Å; L63-W66 WeakPolarHBondContact O-CB 3.49Å; L63-W66 PolarHBondContact O-N 3.05Å; N64-W66 PolarHBondContact O-N 3.44Å; W66-Q68 PolarHBondContact O-N 3.21Å; W66-Q68 VanDerWaalsContact O-N 3.15Å; W66-Y69 PolarHBondContact O-N 3.4Å; W66-A70 HydrophobicContact CB-CB 4.43Å; W66-V73 HydrophobicContact CB-CG2 4.06Å; W66-V73 HydrophobicContact CD2-CG2 3.96Å; W66-V73 HydrophobicContact CG-CG2 3.67Å |
| 67 | G | 85.8 | Confident | 88.6 | Confident | 48 Ų | 48 | 55.7 Ų | 55.7 | 50% | 0.495 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | 53.8 | -117 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N64 K65 Y69 A70 | N64-G67 PolarHBondContact O-N 2.76Å; K65-G67 VanDerWaalsContact C-N 3.31Å; G67-Y69 PolarHBondContact O-N 2.78Å; G67-A70 VanDerWaalsContact O-CB 3.23Å; G67-A70 WeakPolarHBondContact O-CB 3.42Å; G67-A70 PolarHBondContact O-N 3.15Å; G67-A70 VanDerWaalsContact O-N 3.14Å |
| 68 | Q | 85.2 | Confident | 88.5 | Confident | 154 Ų | 154 | 60 Ų | 60 | 72% | 0.72 | 31% | 0.307 | S | S | * | . | G | 310 helix | trans | -62.9 | -21.9 | 179.3 | 69.4 | -174.6 | 20.1 | 0 | 0 | 114.2 | W66 A70 | W66-Q68 PolarHBondContact O-N 3.21Å; W66-Q68 VanDerWaalsContact O-N 3.15Å; Q68-A70 VanDerWaalsContact C-N 3.35Å |
| 69 | Y | 84.3 | Confident | 88.2 | Confident | 102 Ų | 102 | 63.4 Ų | 63.4 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | G | 310 helix | trans | -88 | -4 | 179.4 | -55.8 | -67.3 | 0 | 0 | 0 | 113 | W46 W66 G67 S71 D72 V73 | W46-Y69 HydrophobicContact CZ2-CD1 4.25Å; W66-Y69 PolarHBondContact O-N 3.4Å; G67-Y69 PolarHBondContact O-N 2.78Å; Y69-S71 PolarHBondContact O-N 3.04Å; Y69-S71 VanDerWaalsContact O-N 3.09Å; Y69-D72 PolarHBondContact O-N 3.17Å; Y69-V73 WeakPolarHBondContact O-CG2 3.38Å; Y69-V73 PolarHBondContact O-N 3.11Å |
| 70 | A | 85.5 | Confident | 87.6 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 25% | 0.248 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -26.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L63 W66 G67 Q68 D72 | L63-A70 WeakPolarHBondContact O-CB 3.43Å; W66-A70 HydrophobicContact CB-CB 4.43Å; G67-A70 VanDerWaalsContact O-CB 3.23Å; G67-A70 WeakPolarHBondContact O-CB 3.42Å; G67-A70 PolarHBondContact O-N 3.15Å; G67-A70 VanDerWaalsContact O-N 3.14Å; Q68-A70 VanDerWaalsContact C-N 3.35Å; A70-D72 VanDerWaalsContact C-N 3.29Å; A70-D72 PolarHBondContact O-N 2.93Å |
| 71 | S | 84.3 | Confident | 86.3 | Confident | 101 Ų | 101 | 67.3 Ų | 67.3 | 71% | 0.706 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -27.8 | 174.7 | 57.5 | 0 | 0 | 0 | 0 | 114 | Y69 | Y69-S71 PolarHBondContact O-N 3.04Å; Y69-S71 VanDerWaalsContact O-N 3.09Å |
| 72 | D | 87.9 | Confident | 84.9 | Confident | 86 Ų | 86 | 69 Ų | 69 | 46% | 0.46 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | -11.4 | -174.6 | -64.2 | -2.5 | 0 | 0 | 0 | 112.1 | Y69 A70 | Y69-D72 PolarHBondContact O-N 3.17Å; A70-D72 VanDerWaalsContact C-N 3.29Å; A70-D72 PolarHBondContact O-N 2.93Å |
| 73 | V | 90.7 | Very high | 83.1 | Confident | 16 Ų | 16 | 69.5 Ų | 69.5 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | trans | -77.6 | 130.4 | 178.1 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | E44 W46 L63 W66 Y69 | E44-V73 HydrophobicContact CB-CG1 3.99Å; W46-V73 HydrophobicContact CB-CG2 4.19Å; W46-V73 HydrophobicContact CG-CG2 4.32Å; L63-V73 HydrophobicContact CD2-CB 3.87Å; L63-V73 HydrophobicContact CD2-CG1 3.74Å; W66-V73 HydrophobicContact CB-CG2 4.06Å; W66-V73 HydrophobicContact CD2-CG2 3.96Å; W66-V73 HydrophobicContact CG-CG2 3.67Å; Y69-V73 WeakPolarHBondContact O-CG2 3.38Å; Y69-V73 PolarHBondContact O-N 3.11Å | ||
| 74 | Q | 92.1 | Very high | 81.2 | Confident | 92 Ų | 92 | 76 Ų | 76 | 43% | 0.43 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 123.6 | 175.2 | -64.1 | -175.9 | -2.3 | 0 | 0 | 110.1 | K45 | K45-Q74 PolarHBondContact N-O 2.88Å; K45-Q74 PolarHBondContact O-N 3.02Å |
| 75 | L | 93.4 | Very high | 79.1 | Confident | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 129.2 | 169.3 | -63.9 | 179 | 0 | 0 | 0 | 109.5 | L3 V5 W6 L42 I43 E44 L53 P59 L63 | L3-L75 HydrophobicContact CD1-CD1 3.51Å; L3-L75 HydrophobicContact CD2-CD1 3.74Å; L3-L75 HydrophobicContact CG-CD1 3.73Å; V5-L75 CarbonylContact C-O 3.56Å; V5-L75 WeakPolarHBondContact CA-O 3.35Å; V5-L75 HydrophobicContact CB-CB 4.46Å; V5-L75 HydrophobicContact CG1-CB 4.31Å; V5-L75 HydrophobicContact CG2-CB 4.08Å; V5-L75 HydrophobicContact CG2-CD1 4.22Å; W6-L75 PolarHBondContact N-O 3.32Å; L42-L75 HydrophobicContact CD1-CB 4.37Å; I43-L75 CarbonylContact O-C 3.58Å; I43-L75 WeakPolarHBondContact O-CA 3.43Å; E44-L75 HydrophobicContact CB-CD2 4.03Å; E44-L75 HydrophobicContact CG-CD2 3.53Å; L53-L75 HydrophobicContact CD1-CD2 4.17Å; P59-L75 HydrophobicContact CB-CD1 4.4Å; L63-L75 HydrophobicContact CD1-CD1 4.18Å |
| 76 | I | 93.3 | Very high | 76.8 | Confident | 49 Ų | 49 | 74.9 Ų | 74.9 | 25% | 0.251 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 122.8 | -177.6 | -53.9 | 172.5 | 0 | 0 | 0 | 108.3 | W6 I43 K45 | W6-I76 HydrophobicContact CB-CG1 4.2Å; W6-I76 CarbonylContact O-C 3.59Å; W6-I76 WeakPolarHBondContact O-CA 3.23Å; I43-I76 PolarHBondContact N-O 2.78Å; I43-I76 PolarHBondContact O-N 3.43Å; K45-I76 HydrophobicContact CB-CD1 3.89Å; K45-I76 HydrophobicContact CD-CD1 3.83Å |
| 77 | L | 91.8 | Very high | 74.2 | Confident | 4 Ų | 4 | 82 Ų | 82 | 2% | 0.021 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 113.8 | 171.9 | -172.1 | 63.5 | 0 | 0 | 0 | 109.3 | V5 W6 V7 V27 L30 Y40 L42 | V5-L77 HydrophobicContact CG1-CB 4.1Å; W6-L77 PolarHBondContact O-N 3.1Å; V7-L77 HydrophobicContact CB-CB 4.39Å; V7-L77 HydrophobicContact CG1-CB 4.11Å; V7-L77 HydrophobicContact CG1-CD2 4.05Å; V7-L77 HydrophobicContact CG1-CG 4.4Å; V7-L77 HydrophobicContact CG2-CB 3.8Å; V7-L77 HydrophobicContact CG2-CD2 4.06Å; V27-L77 HydrophobicContact CB-CD1 4.38Å; V27-L77 HydrophobicContact CG1-CD1 4.09Å; V27-L77 HydrophobicContact CG2-CD1 3.66Å; L30-L77 HydrophobicContact CB-CD2 3.72Å; L30-L77 HydrophobicContact CD1-CD2 4.02Å; Y40-L77 HydrophobicContact CD1-CD1 4.28Å; Y40-L77 HydrophobicContact CD1-CD2 4.12Å; Y40-L77 HydrophobicContact CD1-CG 3.92Å; Y40-L77 HydrophobicContact CG-CD1 4.33Å; Y40-L77 HydrophobicContact CG-CG 4.43Å; L42-L77 HydrophobicContact CD1-CB 4.46Å; L42-L77 HydrophobicContact CD1-CD1 4.32Å |
| 78 | R | 88.4 | Confident | 72 | Confident | 128 Ų | 128 | 85.3 Ų | 85.3 | 48% | 0.483 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.8 | 178.2 | -173.7 | 176.1 | 176.5 | -170.3 | 0.3 | 110.6 | Y40 T41 I43 | Y40-R78 CarbonylContact C-O 3.58Å; Y40-R78 WeakPolarHBondContact CA-O 3.32Å; T41-R78 PolarHBondContact N-O 2.97Å; T41-R78 PolarHBondContact O-N 3.27Å; I43-R78 HydrophobicContact CD1-CB 3.73Å; I43-R78 HydrophobicContact CD1-CG 4.41Å; I43-R78 HydrophobicContact CG1-CB 4.48Å |
| 79 | R | 83.7 | Confident | 69.5 | Low | 109 Ų | 109 | 84 Ų | 84 | 41% | 0.411 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 119.6 | 171.2 | -167.7 | 173.7 | 177.3 | -120.8 | 9.2 | 109.5 | R39 Y40 S83 E86 | R39-R79 CarbonylContact O-C 3.54Å; R39-R79 WeakPolarHBondContact O-CA 3.35Å; Y40-R79 HydrophobicContact CD1-CB 3.87Å; Y40-R79 HydrophobicContact CD1-CG 4.2Å; Y40-R79 HydrophobicContact CE1-CB 3.69Å; Y40-R79 HydrophobicContact CE1-CG 3.84Å; R79-S83 PolarHBondContact NH2-OG 3.47Å; R79-E86 IonicContact NH2-OE2 2.87Å |
| 80 | T | 76 | Confident | 67 | Low | 72 Ų | 72 | 84.8 Ų | 84.8 | 44% | 0.442 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | -18 | -173.8 | -44.7 | 0 | 0 | 0 | 0 | 112.7 | R39 T41 | R39-T80 PolarHBondContact O-N 3.44Å; T41-T80 PolarHBondContact OG1-OG1 3.25Å |
| 81 | G | 63.1 | Low | 64.4 | Low | 16 Ų | 16 | 90.8 Ų | 90.8 | 17% | 0.165 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 163.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R39 | R39-G81 PolarHBondContact O-N 3.02Å |
| 82 | P | 59.8 | Low | 62 | Low | 107 Ų | 107 | 90.5 Ų | 90.5 | 70% | 0.695 | 49% | 0.49 | S | S | * | . | trans | -63.1 | 142.6 | 177.5 | 25.8 | -32 | 0 | 0 | 0 | 110.9 | ||||
| 83 | S | 49.2 | Very low | 59.6 | Low | 13 Ų | 13 | 92.3 Ų | 92.3 | 9% | 0.091 | 50% | 0.504 | C | S | . | . | trans | -60.1 | 133.8 | 167.5 | 35.1 | 0 | 0 | 0 | 0 | 109.1 | T37 R79 S85 E86 | T37-S83 WeakPolarHBondContact O-CB 3.49Å; R79-S83 PolarHBondContact NH2-OG 3.47Å; S83-S85 PolarHBondContact O-N 2.66Å; S83-E86 WeakPolarHBondContact OG-CB 3.46Å; S83-E86 PolarHBondContact OG-OE2 3.33Å | ||
| 84 | L | 50.3 | Low | 57 | Low | 163 Ų | 163 | 96.2 Ų | 96.2 | 85% | 0.853 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -3.1 | 174.6 | -75 | 172 | 0 | 0 | 0 | 112.9 | Y418 | L84-Y418 HydrophobicContact CD1-CD1 4.31Å; L84-Y418 HydrophobicContact CD1-CE1 4.39Å |
| 85 | S | 44.1 | Very low | 54.5 | Low | 87 Ų | 87 | 102.4 Ų | 102.4 | 61% | 0.608 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.9 | -5.2 | -173.9 | 69.2 | 0 | 0 | 0 | 0 | 116.5 | T37 S83 R87 | T37-S85 PolarHBondContact OG1-OG 2.85Å; S83-S85 PolarHBondContact O-N 2.66Å; S85-R87 PolarHBondContact O-N 2.95Å; S85-R87 VanDerWaalsContact O-N 3.15Å |
| 86 | E | 38.3 | Very low | 51.9 | Low | 127 Ų | 127 | 109 Ų | 109 | 59% | 0.593 | 59% | 0.592 | S | S | * | * | trans | -91.3 | 87.7 | 179 | -75.4 | 179.5 | 153.9 | 0 | 0 | 111.6 | R79 S83 | R79-E86 IonicContact NH2-OE2 2.87Å; S83-E86 WeakPolarHBondContact OG-CB 3.46Å; S83-E86 PolarHBondContact OG-OE2 3.33Å | ||
| 87 | R | 31.5 | Very low | 49.4 | Very low | 215 Ų | 215 | 112 Ų | 112 | 81% | 0.811 | 61% | 0.614 | S | S | * | * | trans | -44.1 | 122.2 | 143.4 | -174.8 | 78.1 | -174.6 | -179.4 | 3 | 107.3 | S85 T89 | S85-R87 PolarHBondContact O-N 2.95Å; S85-R87 VanDerWaalsContact O-N 3.15Å; R87-T89 PolarHBondContact O-N 3.16Å | ||
| 88 | P | 39.1 | Very low | 47 | Very low | 118 Ų | 118 | 119.9 Ų | 119.9 | 77% | 0.766 | 65% | 0.651 | S | S | * | * | trans | -67 | 100.3 | -176.7 | 24.9 | -30.4 | 0 | 0 | 0 | 108.6 | S90 | P88-S90 PolarHBondContact O-N 3.45Š| ||
| 89 | T | 33.3 | Very low | 44.7 | Very low | 128 Ų | 128 | 121.2 Ų | 121.2 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -73.1 | 118.2 | 161.8 | 45 | 0 | 0 | 0 | 0 | 106.4 | R87 D91 | R87-T89 PolarHBondContact O-N 3.16Å; T89-D91 VanDerWaalsContact C-N 3.33Å; T89-D91 PolarHBondContact O-N 2.83Å | ||
| 90 | S | 31.4 | Very low | 42.7 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 83% | 0.825 | 67% | 0.667 | S | S | * | * | trans | -61.8 | 88.1 | 175.3 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | P88 | P88-S90 PolarHBondContact O-N 3.45Š| ||
| 91 | D | 30.7 | Very low | 41.3 | Very low | 155 Ų | 155 | 125 Ų | 125 | 83% | 0.829 | 69% | 0.685 | S | S | * | * | trans | -163 | 147.2 | 153.1 | -130.2 | -27.3 | 0 | 0 | 0 | 114.1 | T89 | T89-D91 VanDerWaalsContact C-N 3.33Å; T89-D91 PolarHBondContact O-N 2.83Å | ||
| 92 | S | 34.7 | Very low | 40.5 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 72.1 | 98.7 | 152.8 | 167.7 | 0 | 0 | 0 | 0 | 118.3 | ||
| 93 | V | 37.1 | Very low | 39.6 | Very low | 124 Ų | 124 | 136 Ų | 136 | 75% | 0.752 | 71% | 0.709 | S | S | * | * | trans | 78.5 | 84.8 | 148.1 | -164.5 | 0 | 0 | 0 | 0 | 116.1 | R95 | V93-R95 PolarHBondContact O-N 3.24Š| ||
| 94 | A | 35.9 | Very low | 39.4 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | -10.2 | 91.6 | 147.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 95 | R | 39 | Very low | 39.3 | Very low | 222 Ų | 222 | 138.5 Ų | 138.5 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | trans | -105.1 | 107.7 | 147.5 | -78.3 | -166.7 | -179.1 | -176.4 | 1.7 | 107 | V93 P97 | V93-R95 PolarHBondContact O-N 3.24Å; R95-P97 WeakPolarHBondContact O-CD 3.41Å | ||
| 96 | I | 38.6 | Very low | 39.6 | Very low | 141 Ų | 141 | 138 Ų | 138 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | trans | -49.4 | 120.8 | 174.8 | -64.2 | 154.1 | 0 | 0 | 0 | 107.3 | E98 | I96-E98 PolarHBondContact O-N 3.4Š| ||
| 97 | P | 41.3 | Very low | 40.1 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 72% | 0.721 | 71% | 0.711 | S | S | * | * | trans | -54.5 | 123.3 | 176.4 | -27.1 | 35.4 | 0 | 0 | 0 | 109.9 | R95 R99 | R95-P97 WeakPolarHBondContact O-CD 3.41Å; P97-R99 PolarHBondContact O-N 3.13Å | ||
| 98 | E | 41.6 | Very low | 40.9 | Very low | 169 Ų | 169 | 132 Ų | 132 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -56.2 | 114.2 | 177.2 | -73.5 | -169.3 | 162.4 | 0 | 0 | 109 | I96 T100 | I96-E98 PolarHBondContact O-N 3.4Å; E98-T100 PolarHBondContact O-N 3.08Å; E98-T100 VanDerWaalsContact O-N 3.08Å | ||
| 99 | R | 39 | Very low | 41.1 | Very low | 157 Ų | 157 | 133.6 Ų | 133.6 | 59% | 0.592 | 71% | 0.713 | S | S | * | * | trans | -67.1 | 106.9 | -177.9 | -60.9 | 168.2 | 95.6 | 87.6 | -14.2 | 107.5 | P97 L106 | P97-R99 PolarHBondContact O-N 3.13Å; R99-L106 PolarHBondContact NH2-O 2.76Å | ||
| 100 | T | 42.4 | Very low | 41.3 | Very low | 106 Ų | 106 | 132.8 Ų | 132.8 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | -60.7 | 144 | 171.8 | 51 | 0 | 0 | 0 | 0 | 110 | E98 Y102 R103 | E98-T100 PolarHBondContact O-N 3.08Å; E98-T100 VanDerWaalsContact O-N 3.08Å; T100-Y102 PolarHBondContact O-N 2.93Å; T100-R103 PolarHBondContact O-N 2.81Å; T100-R103 VanDerWaalsContact O-N 3.1Å | ||
| 101 | L | 47.4 | Very low | 41.7 | Very low | 155 Ų | 155 | 136 Ų | 136 | 81% | 0.812 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52 | -15.2 | -178.4 | -66.6 | 170.2 | 0 | 0 | 0 | 115 | R103 | L101-R103 PolarHBondContact O-N 3.41Š|
| 102 | Y | 45.5 | Very low | 42.2 | Very low | 219 Ų | 219 | 136.8 Ų | 136.8 | 86% | 0.859 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -14.2 | 178.6 | -162.3 | -100.6 | 0 | 0 | 0 | 114.8 | T100 | T100-Y102 PolarHBondContact O-N 2.93Š|
| 103 | R | 41 | Very low | 42.1 | Very low | 134 Ų | 134 | 142.7 Ų | 142.7 | 51% | 0.506 | 73% | 0.729 | S | S | . | * | trans | -126.7 | 79.1 | 175.5 | -84.4 | -159.4 | 173.7 | -173.3 | -2.1 | 111.7 | T100 L101 E233 | T100-R103 PolarHBondContact O-N 2.81Å; T100-R103 VanDerWaalsContact O-N 3.1Å; L101-R103 PolarHBondContact O-N 3.41Å; R103-E233 IonicContact NH2-OE1 3.79Å; R103-E233 PolarHBondContact NH2-OE1 2.92Å | ||
| 104 | Q | 46.2 | Very low | 42.2 | Very low | 167 Ų | 167 | 141.8 Ų | 141.8 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | -90 | -3.3 | 173.7 | -78.3 | -168.3 | -20.4 | 0 | 0 | 114.7 | L106 | Q104-L106 PolarHBondContact O-N 3.48Š| ||
| 105 | S | 48.2 | Very low | 42.2 | Very low | 61 Ų | 61 | 143.9 Ų | 143.9 | 43% | 0.427 | 72% | 0.719 | S | S | . | * | trans | -93.1 | 12.7 | -175.1 | 58.1 | 0 | 0 | 0 | 0 | 115.8 | P107 | S105-P107 WeakPolarHBondContact O-CD 3.46Š| ||
| 106 | L | 50 | Low | 42.1 | Very low | 77 Ų | 77 | 139.9 Ų | 139.9 | 40% | 0.403 | 71% | 0.713 | S | S | . | * | trans | -99.7 | 93.9 | 177.1 | -69.2 | 177.4 | 0 | 0 | 0 | 110.4 | R99 Q104 | R99-L106 PolarHBondContact NH2-O 2.76Å; Q104-L106 PolarHBondContact O-N 3.48Å | ||
| 107 | P | 48.1 | Very low | 42 | Very low | 89 Ų | 89 | 140 Ų | 140 | 58% | 0.578 | 72% | 0.715 | S | S | * | * | trans | -63.3 | 157.4 | 167.3 | 25.3 | -31 | 0 | 0 | 0 | 111 | S105 L109 | S105-P107 WeakPolarHBondContact O-CD 3.46Å; P107-L109 PolarHBondContact O-N 3.3Å; P107-L109 VanDerWaalsContact O-N 3.17Å | ||
| 108 | P | 48.7 | Very low | 42 | Very low | 126 Ų | 126 | 143.1 Ų | 143.1 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -66.6 | 117.2 | -174.8 | -1.1 | 13 | 0 | 0 | 0 | 110.9 | ||
| 109 | L | 42.5 | Very low | 42 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 72% | 0.716 | S | S | * | * | trans | 22.5 | 104 | 151.5 | -67 | 171.4 | 0 | 0 | 0 | 116.3 | P107 K111 | P107-L109 PolarHBondContact O-N 3.3Å; P107-L109 VanDerWaalsContact O-N 3.17Å; L109-K111 VanDerWaalsContact C-N 3.35Å; L109-K111 PolarHBondContact O-N 3.43Å | ||
| 110 | A | 37.8 | Very low | 42.2 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 93% | 0.926 | 73% | 0.726 | S | S | * | * | trans | -40.1 | 91.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 111 | K | 40.8 | Very low | 41.9 | Very low | 184 Ų | 184 | 144.4 Ų | 144.4 | 80% | 0.8 | 74% | 0.735 | S | S | * | * | trans | -121.2 | 103.2 | 153.4 | -69 | -173.4 | -177.9 | -177.5 | 0 | 104.4 | L109 | L109-K111 VanDerWaalsContact C-N 3.35Å; L109-K111 PolarHBondContact O-N 3.43Å | ||
| 112 | L | 40.7 | Very low | 41.6 | Very low | 172 Ų | 172 | 147.3 Ų | 147.3 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | trans | 162.3 | 75.5 | 154.2 | -85.6 | 175.8 | 0 | 0 | 0 | 106.3 | P114 | L112-P114 WeakPolarHBondContact O-CD 3.39Š| ||
| 113 | R | 32.2 | Very low | 41.3 | Very low | 220 Ų | 220 | 148.6 Ų | 148.6 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | -108.1 | 94.4 | 167.5 | -158.1 | -169.2 | -154.9 | -176.3 | 9.2 | 107.6 | Q115 | R113-Q115 PolarHBondContact O-N 3.36Š| ||
| 114 | P | 40.5 | Very low | 41.5 | Very low | 105 Ų | 105 | 151.1 Ų | 151.1 | 68% | 0.682 | 76% | 0.756 | S | S | * | * | trans | -83.6 | 106.4 | 166.3 | 0.9 | 18.5 | 0 | 0 | 0 | 108.1 | L112 I116 | L112-P114 WeakPolarHBondContact O-CD 3.39Å; P114-I116 PolarHBondContact O-N 2.87Å; P114-I116 VanDerWaalsContact O-N 3.08Å | ||
| 115 | Q | 34.5 | Very low | 41.6 | Very low | 142 Ų | 142 | 149.1 Ų | 149.1 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -62.7 | 99.1 | 166.4 | -80.6 | -91.7 | -64.7 | 0 | 0 | 109.7 | R113 | R113-Q115 PolarHBondContact O-N 3.36Š| ||
| 116 | I | 38 | Very low | 41.1 | Very low | 138 Ų | 138 | 155.9 Ų | 155.9 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -133.9 | 75.5 | 164.1 | -51.5 | 179.5 | 0 | 0 | 0 | 108.6 | P114 K118 | P114-I116 PolarHBondContact O-N 2.87Å; P114-I116 VanDerWaalsContact O-N 3.08Å; I116-K118 HydrophobicContact CG2-CG 4.42Å; I116-K118 PolarHBondContact O-N 2.93Å | ||
| 117 | D | 35.2 | Very low | 40.7 | Very low | 144 Ų | 144 | 164 Ų | 164 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -68.7 | 102.7 | 159.4 | -85.6 | -47.6 | 0 | 0 | 0 | 109.3 | ||||
| 118 | K | 42.9 | Very low | 40.3 | Very low | 177 Ų | 177 | 169.6 Ų | 169.6 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | trans | -136.4 | 93.9 | 158.6 | -68.7 | -171.7 | -178.4 | 175.9 | 0 | 109.5 | I116 I120 | I116-K118 HydrophobicContact CG2-CG 4.42Å; I116-K118 PolarHBondContact O-N 2.93Å; K118-I120 PolarHBondContact O-N 3.24Å; K118-I120 VanDerWaalsContact O-N 3.11Å | ||
| 119 | S | 39.8 | Very low | 40.1 | Very low | 111 Ų | 111 | 169 Ų | 169 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -64 | 98.8 | 172.2 | 45.9 | 0 | 0 | 0 | 0 | 111.1 | K121 | S119-K121 PolarHBondContact O-N 3.48Š| ||
| 120 | I | 44.9 | Very low | 40.1 | Very low | 156 Ų | 156 | 170.1 Ų | 170.1 | 80% | 0.8 | 82% | 0.824 | S | S | * | * | trans | -79.6 | 100.4 | 173.2 | -77.4 | 167.1 | 0 | 0 | 0 | 109 | K118 | K118-I120 PolarHBondContact O-N 3.24Å; K118-I120 VanDerWaalsContact O-N 3.11Å | ||
| 121 | K | 35.2 | Very low | 40.2 | Very low | 191 Ų | 191 | 170.8 Ų | 170.8 | 83% | 0.83 | 82% | 0.817 | S | S | * | * | trans | -73.8 | 119.3 | 170.7 | -68.5 | -90.7 | -178.2 | 175.6 | 0 | 109.3 | S119 | S119-K121 PolarHBondContact O-N 3.48Š| ||
| 122 | R | 41.9 | Very low | 40 | Very low | 217 Ų | 217 | 171.2 Ų | 171.2 | 82% | 0.819 | 82% | 0.819 | S | S | * | * | trans | -67.3 | 133.5 | 177.2 | -67.1 | -171.9 | 166.9 | 173.9 | -4.1 | 111.1 | ||||
| 123 | R | 39.2 | Very low | 40.2 | Very low | 246 Ų | 246 | 169.2 Ų | 169.2 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | trans | -110.7 | 122.6 | 169.5 | -89.2 | -167.5 | 174.6 | -119.1 | 2.7 | 109.5 | ||||
| 124 | E | 45 | Very low | 40.6 | Very low | 187 Ų | 187 | 161.6 Ų | 161.6 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -82.4 | 130.5 | -178 | -69.4 | 177.3 | 162.1 | 0 | 0 | 112.5 | ||||
| 125 | P | 46.7 | Very low | 40.5 | Very low | 124 Ų | 124 | 160.3 Ų | 160.3 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | trans | -80.3 | 133.1 | -179.4 | -18.3 | 33.4 | 0 | 0 | 0 | 115.3 | ||||
| 126 | K | 38.7 | Very low | 41 | Very low | 204 Ų | 204 | 158.6 Ų | 158.6 | 89% | 0.887 | 82% | 0.82 | S | S | * | * | trans | -85.2 | 115 | -178.9 | -131.7 | 168.7 | -177 | 172.8 | 0 | 111 | ||||
| 127 | R | 41 | Very low | 41.5 | Very low | 246 Ų | 246 | 162 Ų | 162 | 93% | 0.928 | 83% | 0.83 | S | S | * | * | trans | -65.5 | 131.5 | 178.7 | -59.8 | 168 | 75.4 | 130.8 | -0.4 | 110.7 | ||||
| 128 | K | 40.7 | Very low | 41.6 | Very low | 208 Ų | 208 | 157.9 Ų | 157.9 | 90% | 0.904 | 82% | 0.822 | S | S | * | * | trans | -118.9 | 105.5 | 166.5 | -67.3 | -176.5 | -178.5 | -179.3 | 0 | 108 | ||||
| 129 | S | 44.4 | Very low | 41.9 | Very low | 114 Ų | 114 | 156.3 Ų | 156.3 | 80% | 0.797 | 82% | 0.821 | S | S | * | * | trans | -87.5 | 126.1 | 172.4 | 49.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 130 | L | 42.4 | Very low | 42.4 | Very low | 174 Ų | 174 | 159.5 Ų | 159.5 | 91% | 0.911 | 83% | 0.826 | S | S | * | * | trans | -128.7 | 96.9 | 169.9 | -172 | 70.3 | 0 | 0 | 0 | 108.3 | ||||
| 131 | T | 38.9 | Very low | 42.6 | Very low | 126 Ų | 126 | 159.4 Ų | 159.4 | 77% | 0.773 | 83% | 0.827 | S | S | * | * | trans | -90.6 | 115 | 174.9 | 8.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 132 | F | 38.2 | Very low | 43.4 | Very low | 193 Ų | 193 | 156 Ų | 156 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -98.5 | 106.2 | 169.4 | -177.2 | -99.3 | 0 | 0 | 0 | 109 | ||||
| 133 | T | 44.3 | Very low | 43.6 | Very low | 131 Ų | 131 | 154.6 Ų | 154.6 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -91.3 | 98.2 | 172.3 | 52.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 134 | G | 40.2 | Very low | 43.6 | Very low | 60 Ų | 60 | 146.1 Ų | 146.1 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | trans | -90.2 | 113.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 135 | G | 37.8 | Very low | 43.2 | Very low | 77 Ų | 77 | 147.6 Ų | 147.6 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | trans | -67.7 | 140 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | K137 | G135-K137 PolarHBondContact O-N 3.38Š| ||
| 136 | A | 44.9 | Very low | 42.7 | Very low | 107 Ų | 107 | 145.2 Ų | 145.2 | 88% | 0.884 | 81% | 0.808 | S | S | * | * | trans | -75 | 110 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | G138 | A136-G138 PolarHBondContact O-N 2.98Š| ||
| 137 | K | 48.4 | Very low | 42.6 | Very low | 209 Ų | 209 | 145.6 Ų | 145.6 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -80.9 | 108.2 | 164.5 | -68 | -171.5 | 178.7 | -176 | 0 | 107.8 | G135 | G135-K137 PolarHBondContact O-N 3.38Š| ||
| 138 | G | 38.4 | Very low | 42.2 | Very low | 58 Ų | 58 | 142.7 Ų | 142.7 | 60% | 0.598 | 81% | 0.806 | S | S | * | * | trans | -63.4 | 141 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | A136 M140 | A136-G138 PolarHBondContact O-N 2.98Å; G138-M140 PolarHBondContact O-N 3.29Å | ||
| 139 | L | 49.2 | Very low | 42.2 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 41.9 | 176.6 | -68.7 | 171.9 | 0 | 0 | 0 | 112.9 | I142 | L139-I142 HydrophobicContact CD2-CD1 3.98Š|
| 140 | M | 49.7 | Very low | 41.8 | Very low | 177 Ų | 177 | 142 Ų | 142 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -13.1 | 176.4 | -147.1 | 178.4 | -169.9 | 0 | 0 | 112.5 | G138 | G138-M140 PolarHBondContact O-N 3.29Š|
| 141 | D | 49.8 | Very low | 41.6 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -89.5 | -6.8 | -173 | -65.7 | -24.7 | 0 | 0 | 0 | 115 | ||
| 142 | I | 50.6 | Low | 41.9 | Very low | 120 Ų | 120 | 142.8 Ų | 142.8 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -94.1 | -30.7 | -173.2 | -57.4 | -179.6 | 0 | 0 | 0 | 112.6 | L139 G144 | L139-I142 HydrophobicContact CD2-CD1 3.98Å; I142-G144 PolarHBondContact O-N 2.96Å |
| 143 | F | 47.4 | Very low | 42.3 | Very low | 186 Ų | 186 | 141.6 Ų | 141.6 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | trans | -101.5 | 53 | -176.7 | -64.7 | -77.5 | 0 | 0 | 0 | 112.5 | ||||
| 144 | G | 39.2 | Very low | 42.4 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -74.8 | 121.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I142 | I142-G144 PolarHBondContact O-N 2.96Š| ||
| 145 | K | 35.6 | Very low | 42.9 | Very low | 217 Ų | 217 | 141.8 Ų | 141.8 | 94% | 0.943 | 76% | 0.764 | S | S | * | * | trans | -57.8 | 123.3 | -177.8 | -62 | -85.7 | -173.3 | 171.7 | 0 | 112.6 | ||||
| 146 | G | 36.4 | Very low | 43.6 | Very low | 74 Ų | 74 | 142.9 Ų | 142.9 | 76% | 0.763 | 75% | 0.751 | S | S | * | * | trans | -135.5 | 128.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 147 | K | 36.7 | Very low | 44.1 | Very low | 212 Ų | 212 | 142.5 Ų | 142.5 | 92% | 0.922 | 73% | 0.734 | S | S | * | * | trans | -74.3 | 148.9 | -161.4 | -65.1 | -178.8 | 173.9 | -180 | 0 | 115.1 | ||||
| 148 | E | 33.3 | Very low | 44.6 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | trans | -68.2 | 124.9 | 174.5 | -54.9 | -175.4 | 145.3 | 0 | 0 | 112.6 | ||||
| 149 | T | 39.9 | Very low | 45.6 | Very low | 129 Ų | 129 | 137.5 Ų | 137.5 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -174.6 | 126.3 | 146.7 | 31.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 150 | E | 35.9 | Very low | 46.5 | Very low | 179 Ų | 179 | 136.2 Ų | 136.2 | 84% | 0.836 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 59 | 73.2 | 155.5 | -57.2 | -171.4 | 157.5 | 0 | 0 | 119.4 | ||
| 151 | F | 39.4 | Very low | 47.6 | Very low | 116 Ų | 116 | 131 Ų | 131 | 51% | 0.509 | 68% | 0.675 | S | S | . | * | trans | -152.4 | 42.9 | 155.8 | -113.3 | -59.2 | 0 | 0 | 0 | 115.2 | Q153 K154 V155 | F151-Q153 PolarHBondContact O-N 3.34Å; F151-K154 HydrophobicContact CB-CB 4.3Å; F151-K154 HydrophobicContact CD1-CB 3.28Å; F151-K154 HydrophobicContact CD1-CD 3.47Å; F151-K154 VanDerWaalsContact CD1-CD 3.47Å; F151-K154 HydrophobicContact CD1-CG 3.31Å; F151-K154 HydrophobicContact CE1-CB 3.85Å; F151-K154 HydrophobicContact CE1-CD 3.1Å; F151-K154 HydrophobicContact CE1-CG 3.29Å; F151-K154 HydrophobicContact CE2-CD 4.25Å; F151-K154 HydrophobicContact CG-CB 3.91Å; F151-K154 HydrophobicContact CG-CD 4.2Å; F151-K154 HydrophobicContact CG-CG 4.29Å; F151-K154 HydrophobicContact CZ-CD 3.55Å; F151-K154 VanDerWaalsContact CZ-CE 3.41Å; F151-K154 HydrophobicContact CZ-CG 4.25Å; F151-K154 CarbonylContact O-C 3.53Å; F151-K154 PolarHBondContact O-N 3.03Å; F151-K154 VanDerWaalsContact O-N 3.15Å; F151-V155 HydrophobicContact CB-CG2 4.13Å; F151-V155 WeakPolarHBondContact O-CA 3.45Å; F151-V155 WeakPolarHBondContact O-CB 3.47Å; F151-V155 WeakPolarHBondContact O-CG2 3.39Å; F151-V155 PolarHBondContact O-N 3.37Å | ||
| 152 | K | 44 | Very low | 49.1 | Very low | 200 Ų | 200 | 126.3 Ų | 126.3 | 87% | 0.87 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -52.3 | -22.9 | -173.4 | -68.6 | -161.4 | -175.5 | -177.2 | 0 | 117 | L156 | K152-L156 PolarHBondContact O-N 3.47Å |
| 153 | Q | 46.5 | Very low | 50.7 | Low | 168 Ų | 168 | 122.3 Ų | 122.3 | 79% | 0.785 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -95.9 | -36.2 | 177.1 | -156.1 | 171.8 | 24.9 | 0 | 0 | 114.1 | F151 L156 N157 | F151-Q153 PolarHBondContact O-N 3.34Å; Q153-L156 PolarHBondContact O-N 2.92Å; Q153-N157 PolarHBondContact O-N 2.94Å |
| 154 | K | 46.4 | Very low | 52.6 | Low | 122 Ų | 122 | 117 Ų | 117 | 53% | 0.53 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72 | -20.9 | 164.1 | -66 | -174.2 | -168.7 | 165.8 | 0 | 111.3 | F151 N158 | F151-K154 HydrophobicContact CB-CB 4.3Å; F151-K154 HydrophobicContact CD1-CB 3.28Å; F151-K154 HydrophobicContact CD1-CD 3.47Å; F151-K154 VanDerWaalsContact CD1-CD 3.47Å; F151-K154 HydrophobicContact CD1-CG 3.31Å; F151-K154 HydrophobicContact CE1-CB 3.85Å; F151-K154 HydrophobicContact CE1-CD 3.1Å; F151-K154 HydrophobicContact CE1-CG 3.29Å; F151-K154 HydrophobicContact CE2-CD 4.25Å; F151-K154 HydrophobicContact CG-CB 3.91Å; F151-K154 HydrophobicContact CG-CD 4.2Å; F151-K154 HydrophobicContact CG-CG 4.29Å; F151-K154 HydrophobicContact CZ-CD 3.55Å; F151-K154 VanDerWaalsContact CZ-CE 3.41Å; F151-K154 HydrophobicContact CZ-CG 4.25Å; F151-K154 CarbonylContact O-C 3.53Å; F151-K154 PolarHBondContact O-N 3.03Å; F151-K154 VanDerWaalsContact O-N 3.15Å; K154-N158 VanDerWaalsContact O-CA 3.32Å; K154-N158 WeakPolarHBondContact O-CA 3.4Å; K154-N158 WeakPolarHBondContact O-CB 3.33Å; K154-N158 PolarHBondContact O-N 3.46Å |
| 155 | V | 51.7 | Low | 54.9 | Low | 74 Ų | 74 | 118.8 Ų | 118.8 | 45% | 0.448 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -70.8 | -34.5 | 172.8 | 169.4 | 0 | 0 | 0 | 0 | 109.7 | F151 C159 | F151-V155 HydrophobicContact CB-CG2 4.13Å; F151-V155 WeakPolarHBondContact O-CA 3.45Å; F151-V155 WeakPolarHBondContact O-CB 3.47Å; F151-V155 WeakPolarHBondContact O-CG2 3.39Å; F151-V155 PolarHBondContact O-N 3.37Å; V155-C159 VanDerWaalsContact O-CA 3.29Å; V155-C159 WeakPolarHBondContact O-CA 3.39Å; V155-C159 WeakPolarHBondContact O-CB 3.39Å; V155-C159 PolarHBondContact O-N 3.02Å; V155-C159 PolarHBondContact O-SG 2.83Å |
| 156 | L | 53.2 | Low | 57.5 | Low | 99 Ų | 99 | 113.2 Ų | 113.2 | 52% | 0.518 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72.5 | -43.1 | 174.2 | -172.2 | 65.1 | 0 | 0 | 0 | 111.8 | K152 Q153 C159 K160 | K152-L156 PolarHBondContact O-N 3.47Å; Q153-L156 PolarHBondContact O-N 2.92Å; L156-C159 PolarHBondContact O-N 2.96Å; L156-K160 WeakPolarHBondContact O-CB 3.5Å; L156-K160 VanDerWaalsContact O-CG 3.28Å; L156-K160 WeakPolarHBondContact O-CG 3.29Å; L156-K160 PolarHBondContact O-N 3.47Å |
| 157 | N | 54.3 | Low | 60.2 | Low | 100 Ų | 100 | 115.8 Ų | 115.8 | 54% | 0.535 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.2 | -42.9 | 177.5 | -75.9 | -3.1 | 0 | 0 | 0 | 111.7 | Q153 K160 T161 | Q153-N157 PolarHBondContact O-N 2.94Å; N157-K160 PolarHBondContact O-N 3.46Å; N157-T161 WeakPolarHBondContact O-CG2 3.42Å; N157-T161 PolarHBondContact O-N 2.97Å; N157-T161 PolarHBondContact O-OG1 3.38Å |
| 158 | N | 58.1 | Low | 62.8 | Low | 97 Ų | 97 | 111.8 Ų | 111.8 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.6 | -41.3 | 167.7 | -86.6 | 33 | 0 | 0 | 0 | 110.7 | K154 K160 T161 T162 | K154-N158 VanDerWaalsContact O-CA 3.32Å; K154-N158 WeakPolarHBondContact O-CA 3.4Å; K154-N158 WeakPolarHBondContact O-CB 3.33Å; K154-N158 PolarHBondContact O-N 3.46Å; N158-K160 VanDerWaalsContact C-N 3.25Å; N158-K160 PolarHBondContact O-N 3.19Å; N158-T161 WeakPolarHBondContact CA-OG1 3.36Å; N158-T161 PolarHBondContact O-N 3.25Å; N158-T161 PolarHBondContact O-OG1 3.14Å; N158-T161 VanDerWaalsContact O-OG1 3.1Å; N158-T162 WeakPolarHBondContact O-CA 3.27Å; N158-T162 WeakPolarHBondContact O-CB 3.4Å; N158-T162 WeakPolarHBondContact O-CG2 3.46Å; N158-T162 PolarHBondContact O-N 2.89Å; N158-T162 PolarHBondContact O-OG1 2.86Å |
| 159 | C | 60.1 | Low | 65.7 | Low | 65 Ų | 65 | 108 Ų | 108 | 44% | 0.439 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 176.8 | -89.8 | 0 | 0 | 0 | 0 | 110.8 | V155 L156 T162 A163 | V155-C159 VanDerWaalsContact O-CA 3.29Å; V155-C159 WeakPolarHBondContact O-CA 3.39Å; V155-C159 WeakPolarHBondContact O-CB 3.39Å; V155-C159 PolarHBondContact O-N 3.02Å; V155-C159 PolarHBondContact O-SG 2.83Å; L156-C159 PolarHBondContact O-N 2.96Å; C159-T162 WeakPolarHBondContact CA-OG1 3.07Å; C159-T162 PolarHBondContact O-OG1 2.64Å; C159-A163 WeakPolarHBondContact O-CA 3.4Å; C159-A163 WeakPolarHBondContact O-CB 3.28Å; C159-A163 PolarHBondContact O-N 2.89Å |
| 160 | K | 69.2 | Low | 68.3 | Low | 116 Ų | 116 | 106.4 Ų | 106.4 | 50% | 0.504 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.2 | -47.3 | 174.1 | -74.4 | 173.6 | -179.8 | -179.2 | 0 | 110.8 | L156 N157 N158 A163 D164 | L156-K160 WeakPolarHBondContact O-CB 3.5Å; L156-K160 VanDerWaalsContact O-CG 3.28Å; L156-K160 WeakPolarHBondContact O-CG 3.29Å; L156-K160 PolarHBondContact O-N 3.47Å; N157-K160 PolarHBondContact O-N 3.46Å; N158-K160 VanDerWaalsContact C-N 3.25Å; N158-K160 PolarHBondContact O-N 3.19Å; K160-A163 PolarHBondContact O-N 3.41Å; K160-D164 WeakPolarHBondContact O-CB 3.45Å; K160-D164 VanDerWaalsContact O-CG 3.26Å; K160-D164 PolarHBondContact O-N 3.22Å |
| 161 | T | 72.5 | Confident | 71.1 | Confident | 69 Ų | 69 | 105 Ų | 105 | 42% | 0.423 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.9 | -41 | 177.9 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | N157 N158 D164 E165 | N157-T161 WeakPolarHBondContact O-CG2 3.42Å; N157-T161 PolarHBondContact O-N 2.97Å; N157-T161 PolarHBondContact O-OG1 3.38Å; N158-T161 WeakPolarHBondContact CA-OG1 3.36Å; N158-T161 PolarHBondContact O-N 3.25Å; N158-T161 PolarHBondContact O-OG1 3.14Å; N158-T161 VanDerWaalsContact O-OG1 3.1Å; T161-D164 PolarHBondContact O-N 3.29Å; T161-E165 WeakPolarHBondContact O-CB 3.23Å; T161-E165 WeakPolarHBondContact O-CG 3.36Å; T161-E165 PolarHBondContact O-N 2.83Å |
| 162 | T | 81.1 | Confident | 73.7 | Confident | 55 Ų | 55 | 104.5 Ų | 104.5 | 34% | 0.337 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.3 | -36.6 | 175.1 | 64.2 | 0 | 0 | 0 | 0 | 111.1 | N158 C159 E165 L166 | N158-T162 WeakPolarHBondContact O-CA 3.27Å; N158-T162 WeakPolarHBondContact O-CB 3.4Å; N158-T162 WeakPolarHBondContact O-CG2 3.46Å; N158-T162 PolarHBondContact O-N 2.89Å; N158-T162 PolarHBondContact O-OG1 2.86Å; C159-T162 WeakPolarHBondContact CA-OG1 3.07Å; C159-T162 PolarHBondContact O-OG1 2.64Å; T162-E165 PolarHBondContact O-N 3.49Å; T162-L166 VanDerWaalsContact O-CB 3.24Å; T162-L166 WeakPolarHBondContact O-CB 3.22Å; T162-L166 WeakPolarHBondContact O-CG 3.28Å; T162-L166 PolarHBondContact O-N 2.83Å |
| 163 | A | 84.4 | Confident | 76.2 | Confident | 36 Ų | 36 | 100.9 Ų | 100.9 | 30% | 0.298 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -39.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | C159 K160 L166 K167 | C159-A163 WeakPolarHBondContact O-CA 3.4Å; C159-A163 WeakPolarHBondContact O-CB 3.28Å; C159-A163 PolarHBondContact O-N 2.89Å; K160-A163 PolarHBondContact O-N 3.41Å; A163-L166 PolarHBondContact O-N 3.37Å; A163-K167 WeakPolarHBondContact O-CB 3.5Å; A163-K167 VanDerWaalsContact O-CG 3.24Å; A163-K167 WeakPolarHBondContact O-CG 3.48Å; A163-K167 PolarHBondContact O-N 3.42Å |
| 164 | D | 86.5 | Confident | 78.6 | Confident | 75 Ų | 75 | 95.9 Ų | 95.9 | 40% | 0.401 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -73.6 | -33.9 | 176.8 | -69.9 | -22 | 0 | 0 | 0 | 112.1 | K160 T161 K167 K168 | K160-D164 WeakPolarHBondContact O-CB 3.45Å; K160-D164 VanDerWaalsContact O-CG 3.26Å; K160-D164 PolarHBondContact O-N 3.22Å; T161-D164 PolarHBondContact O-N 3.29Å; D164-K167 PolarHBondContact O-N 3.47Å; D164-K167 IonicContact OD1-NZ 2.72Å; D164-K167 PolarHBondContact OD1-NZ 2.85Å; D164-K168 WeakPolarHBondContact O-CB 3.34Å; D164-K168 WeakPolarHBondContact O-CG 3.47Å; D164-K168 PolarHBondContact O-N 3.12Å |
| 165 | E | 87.3 | Confident | 80.9 | Confident | 106 Ų | 106 | 94.7 Ų | 94.7 | 50% | 0.495 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.2 | -45.2 | 167.9 | -76.2 | 165.6 | -169.4 | 0 | 0 | 111.3 | T161 T162 K168 L169 | T161-E165 WeakPolarHBondContact O-CB 3.23Å; T161-E165 WeakPolarHBondContact O-CG 3.36Å; T161-E165 PolarHBondContact O-N 2.83Å; T162-E165 PolarHBondContact O-N 3.49Å; E165-K168 WeakPolarHBondContact O-CB 3.2Å; E165-K168 PolarHBondContact O-N 3.41Å; E165-L169 WeakPolarHBondContact O-CB 3.4Å; E165-L169 WeakPolarHBondContact O-CG 3.26Å; E165-L169 PolarHBondContact O-N 2.95Å |
| 166 | L | 90.4 | Very high | 83.1 | Confident | 100 Ų | 100 | 98.1 Ų | 98.1 | 52% | 0.524 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 174.3 | -76.9 | 168.5 | 0 | 0 | 0 | 111.2 | T162 A163 K168 L169 I170 | T162-L166 VanDerWaalsContact O-CB 3.24Å; T162-L166 WeakPolarHBondContact O-CB 3.22Å; T162-L166 WeakPolarHBondContact O-CG 3.28Å; T162-L166 PolarHBondContact O-N 2.83Å; A163-L166 PolarHBondContact O-N 3.37Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.39Å; L166-L169 PolarHBondContact O-N 3.49Å; L166-I170 WeakPolarHBondContact O-CB 3.36Å; L166-I170 WeakPolarHBondContact O-CG1 3.31Å; L166-I170 PolarHBondContact O-N 3.38Å |
| 167 | K | 92.7 | Very high | 85.1 | Confident | 128 Ų | 128 | 97.4 Ų | 97.4 | 56% | 0.557 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.8 | -41.8 | 173.8 | -73.6 | 170 | -165.6 | 161.9 | 0 | 111.7 | A163 D164 I170 R171 | A163-K167 WeakPolarHBondContact O-CB 3.5Å; A163-K167 VanDerWaalsContact O-CG 3.24Å; A163-K167 WeakPolarHBondContact O-CG 3.48Å; A163-K167 PolarHBondContact O-N 3.42Å; D164-K167 PolarHBondContact O-N 3.47Å; D164-K167 IonicContact OD1-NZ 2.72Å; D164-K167 PolarHBondContact OD1-NZ 2.85Å; K167-I170 PolarHBondContact O-N 2.86Å; K167-R171 WeakPolarHBondContact O-CB 3.33Å; K167-R171 PolarHBondContact O-N 3.41Å |
| 168 | K | 92.3 | Very high | 87.2 | Confident | 128 Ų | 128 | 97.7 Ų | 97.7 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -62.5 | -42.8 | 174.9 | -74.3 | 168.5 | -173.3 | 175.8 | 0 | 111.3 | D164 E165 L166 R171 L172 | D164-K168 WeakPolarHBondContact O-CB 3.34Å; D164-K168 WeakPolarHBondContact O-CG 3.47Å; D164-K168 PolarHBondContact O-N 3.12Å; E165-K168 WeakPolarHBondContact O-CB 3.2Å; E165-K168 PolarHBondContact O-N 3.41Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.39Å; K168-R171 PolarHBondContact O-N 3.38Å; K168-L172 WeakPolarHBondContact O-CB 3.38Å; K168-L172 PolarHBondContact O-N 3.32Å |
| 169 | L | 93.8 | Very high | 89 | Confident | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 176.1 | -74.7 | 172.9 | 0 | 0 | 0 | 111.9 | E165 L166 R171 L172 Q173 | E165-L169 WeakPolarHBondContact O-CB 3.4Å; E165-L169 WeakPolarHBondContact O-CG 3.26Å; E165-L169 PolarHBondContact O-N 2.95Å; L166-L169 PolarHBondContact O-N 3.49Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-R171 PolarHBondContact O-N 3.47Å; L169-L172 PolarHBondContact O-N 2.91Å; L169-Q173 VanDerWaalsContact O-CB 3.27Å; L169-Q173 WeakPolarHBondContact O-CB 3.31Å; L169-Q173 PolarHBondContact O-N 2.87Å |
| 170 | I | 94.5 | Very high | 90.7 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.1 | -47.8 | 174.9 | -70.8 | 163.5 | 0 | 0 | 0 | 109.4 | L166 K167 L172 Q173 T174 | L166-I170 WeakPolarHBondContact O-CB 3.36Å; L166-I170 WeakPolarHBondContact O-CG1 3.31Å; L166-I170 PolarHBondContact O-N 3.38Å; K167-I170 PolarHBondContact O-N 2.86Å; I170-L172 PolarHBondContact O-N 3.42Å; I170-Q173 CarbonylContact O-C 3.6Å; I170-Q173 PolarHBondContact O-N 2.84Å; I170-T174 HydrophobicContact CG2-CG2 4.38Å; I170-T174 WeakPolarHBondContact O-CG2 3.08Å; I170-T174 PolarHBondContact O-N 2.67Å; I170-T174 PolarHBondContact O-OG1 3.39Å |
| 171 | R | 94.3 | Very high | 92 | Very high | 149 Ų | 149 | 97 Ų | 97 | 56% | 0.562 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.4 | -48.5 | 177.2 | -175.6 | -178.3 | 60.2 | 164.9 | 2.4 | 111.8 | K167 K168 L169 Q173 T174 E175 | K167-R171 WeakPolarHBondContact O-CB 3.33Å; K167-R171 PolarHBondContact O-N 3.41Å; K168-R171 PolarHBondContact O-N 3.38Å; L169-R171 VanDerWaalsContact C-N 3.34Å; L169-R171 PolarHBondContact O-N 3.47Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 2.78Å; R171-T174 VanDerWaalsContact CA-OG1 3.29Å; R171-T174 WeakPolarHBondContact CA-OG1 3.44Å; R171-T174 PolarHBondContact O-N 2.9Å; R171-T174 PolarHBondContact O-OG1 2.93Å; R171-E175 WeakPolarHBondContact CG-OE1 3.4Å; R171-E175 WeakPolarHBondContact O-CG 3.38Å; R171-E175 PolarHBondContact O-N 3.33Å |
| 172 | L | 95.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 101 Ų | 101 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.4 | -40.1 | 176.6 | -176.6 | 69.1 | 0 | 0 | 0 | 111.7 | K168 L169 I170 E175 K176 | K168-L172 WeakPolarHBondContact O-CB 3.38Å; K168-L172 PolarHBondContact O-N 3.32Å; L169-L172 PolarHBondContact O-N 2.91Å; I170-L172 PolarHBondContact O-N 3.42Å; L172-E175 PolarHBondContact O-N 2.87Å; L172-K176 WeakPolarHBondContact O-CB 3.28Å; L172-K176 PolarHBondContact O-N 3.23Å |
| 173 | Q | 95.5 | Very high | 94 | Very high | 124 Ų | 124 | 103.9 Ų | 103.9 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.6 | -41.8 | 176.3 | -174.7 | 177.9 | -2 | 0 | 0 | 111.4 | L169 I170 R171 K176 L177 | L169-Q173 VanDerWaalsContact O-CB 3.27Å; L169-Q173 WeakPolarHBondContact O-CB 3.31Å; L169-Q173 PolarHBondContact O-N 2.87Å; I170-Q173 CarbonylContact O-C 3.6Å; I170-Q173 PolarHBondContact O-N 2.84Å; R171-Q173 VanDerWaalsContact C-N 3.29Å; R171-Q173 PolarHBondContact O-N 2.78Å; Q173-K176 PolarHBondContact O-N 3.48Å; Q173-L177 HydrophobicContact CG-CD1 4.26Å; Q173-L177 WeakPolarHBondContact O-CB 3.41Å; Q173-L177 WeakPolarHBondContact O-CG 3.33Å; Q173-L177 PolarHBondContact O-N 2.91Å |
| 174 | T | 96.3 | Very high | 94.6 | Very high | 62 Ų | 62 | 107.2 Ų | 107.2 | 38% | 0.38 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.3 | -41.4 | 175.3 | 52.2 | 0 | 0 | 0 | 0 | 111.8 | I170 R171 L177 Q178 | I170-T174 HydrophobicContact CG2-CG2 4.38Å; I170-T174 WeakPolarHBondContact O-CG2 3.08Å; I170-T174 PolarHBondContact O-N 2.67Å; I170-T174 PolarHBondContact O-OG1 3.39Å; R171-T174 VanDerWaalsContact CA-OG1 3.29Å; R171-T174 WeakPolarHBondContact CA-OG1 3.44Å; R171-T174 PolarHBondContact O-N 2.9Å; R171-T174 PolarHBondContact O-OG1 2.93Å; T174-L177 PolarHBondContact O-N 3.44Å; T174-Q178 WeakPolarHBondContact O-CB 3.46Å; T174-Q178 VanDerWaalsContact O-CG 3.25Å; T174-Q178 WeakPolarHBondContact O-CG 3.29Å; T174-Q178 PolarHBondContact O-N 2.83Å |
| 175 | E | 96.3 | Very high | 95.1 | Very high | 98 Ų | 98 | 108.5 Ų | 108.5 | 46% | 0.458 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -41.4 | 175.1 | -71.8 | 167.4 | -172.2 | 0 | 0 | 111.2 | R171 L172 Q178 S179 | R171-E175 WeakPolarHBondContact CG-OE1 3.4Å; R171-E175 WeakPolarHBondContact O-CG 3.38Å; R171-E175 PolarHBondContact O-N 3.33Å; L172-E175 PolarHBondContact O-N 2.87Å; E175-Q178 PolarHBondContact O-N 3.36Å; E175-S179 WeakPolarHBondContact O-CB 3.42Å; E175-S179 PolarHBondContact O-N 3.44Å |
| 176 | K | 96.4 | Very high | 95.6 | Very high | 145 Ų | 145 | 107 Ų | 107 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65.6 | -43.4 | 175.6 | -176 | 177.1 | 178.9 | 179.8 | 0 | 112.2 | L172 Q173 S179 I180 | L172-K176 WeakPolarHBondContact O-CB 3.28Å; L172-K176 PolarHBondContact O-N 3.23Å; Q173-K176 PolarHBondContact O-N 3.48Å; K176-S179 WeakPolarHBondContact O-CB 3.24Å; K176-S179 PolarHBondContact O-N 3.45Å; K176-I180 HydrophobicContact CG-CD1 4.13Å; K176-I180 WeakPolarHBondContact O-CG1 3.44Å; K176-I180 PolarHBondContact O-N 3.22Å |
| 177 | L | 96.9 | Very high | 95.9 | Very high | 85 Ų | 85 | 106.4 Ų | 106.4 | 45% | 0.445 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -48.4 | 175.4 | -77.5 | 170.5 | 0 | 0 | 0 | 110.5 | Q173 T174 S179 I180 E181 | Q173-L177 HydrophobicContact CG-CD1 4.26Å; Q173-L177 WeakPolarHBondContact O-CB 3.41Å; Q173-L177 WeakPolarHBondContact O-CG 3.33Å; Q173-L177 PolarHBondContact O-N 2.91Å; T174-L177 PolarHBondContact O-N 3.44Å; L177-S179 VanDerWaalsContact C-N 3.25Å; L177-S179 PolarHBondContact O-N 2.94Å; L177-I180 CarbonylContact O-C 3.59Å; L177-I180 PolarHBondContact O-N 2.9Å; L177-I180 VanDerWaalsContact O-N 3.08Å; L177-E181 WeakPolarHBondContact O-CB 3.4Å; L177-E181 WeakPolarHBondContact O-CG 3.24Å; L177-E181 PolarHBondContact O-N 3.4Å |
| 178 | Q | 96.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 104.3 Ų | 104.3 | 50% | 0.495 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.1 | -36.1 | 175.9 | -74.4 | 175.1 | -1 | 0 | 0 | 112.8 | T174 E175 K182 | T174-Q178 WeakPolarHBondContact O-CB 3.46Å; T174-Q178 VanDerWaalsContact O-CG 3.25Å; T174-Q178 WeakPolarHBondContact O-CG 3.29Å; T174-Q178 PolarHBondContact O-N 2.83Å; E175-Q178 PolarHBondContact O-N 3.36Å; Q178-K182 VanDerWaalsContact O-CG 3.3Å; Q178-K182 WeakPolarHBondContact O-CG 3.43Å; Q178-K182 PolarHBondContact O-N 2.93Å |
| 179 | S | 96.9 | Very high | 96.4 | Very high | 60 Ų | 60 | 103.1 Ų | 103.1 | 42% | 0.42 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.1 | -45.7 | 174.1 | -175.8 | 0 | 0 | 0 | 0 | 111.9 | E175 K176 L177 K182 Q183 | E175-S179 WeakPolarHBondContact O-CB 3.42Å; E175-S179 PolarHBondContact O-N 3.44Å; K176-S179 WeakPolarHBondContact O-CB 3.24Å; K176-S179 PolarHBondContact O-N 3.45Å; L177-S179 VanDerWaalsContact C-N 3.25Å; L177-S179 PolarHBondContact O-N 2.94Å; S179-K182 PolarHBondContact O-N 2.9Å; S179-Q183 WeakPolarHBondContact O-CG 3.49Å; S179-Q183 PolarHBondContact O-N 2.85Å |
| 180 | I | 95.7 | Very high | 96.6 | Very high | 81 Ų | 81 | 103 Ų | 103 | 42% | 0.415 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.6 | -40.3 | 177.5 | -67.2 | 168.1 | 0 | 0 | 0 | 110.9 | K176 L177 K182 Q183 L184 | K176-I180 HydrophobicContact CG-CD1 4.13Å; K176-I180 WeakPolarHBondContact O-CG1 3.44Å; K176-I180 PolarHBondContact O-N 3.22Å; L177-I180 CarbonylContact O-C 3.59Å; L177-I180 PolarHBondContact O-N 2.9Å; L177-I180 VanDerWaalsContact O-N 3.08Å; I180-K182 PolarHBondContact O-N 3.3Å; I180-Q183 WeakPolarHBondContact O-CB 3.34Å; I180-Q183 PolarHBondContact O-N 3.38Å; I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 PolarHBondContact O-N 3.43Å |
| 181 | E | 97.3 | Very high | 96.6 | Very high | 122 Ų | 122 | 102.8 Ų | 102.8 | 57% | 0.57 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.8 | -46.1 | 175.1 | -75.1 | 170 | 172.4 | 0 | 0 | 111 | L177 Q183 L184 E185 | L177-E181 WeakPolarHBondContact O-CB 3.4Å; L177-E181 WeakPolarHBondContact O-CG 3.24Å; L177-E181 PolarHBondContact O-N 3.4Å; E181-Q183 VanDerWaalsContact C-N 3.33Å; E181-Q183 PolarHBondContact O-N 2.94Å; E181-L184 PolarHBondContact O-N 3.45Å; E181-E185 WeakPolarHBondContact O-CB 3.48Å; E181-E185 PolarHBondContact O-N 2.81Å |
| 182 | K | 96.3 | Very high | 96.7 | Very high | 153 Ų | 153 | 103.2 Ų | 103.2 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.5 | -38.3 | 174.6 | -73.2 | 174.9 | -176.7 | 179.7 | 0 | 112.8 | Q178 S179 I180 S186 | Q178-K182 VanDerWaalsContact O-CG 3.3Å; Q178-K182 WeakPolarHBondContact O-CG 3.43Å; Q178-K182 PolarHBondContact O-N 2.93Å; S179-K182 PolarHBondContact O-N 2.9Å; I180-K182 PolarHBondContact O-N 3.3Å; K182-S186 WeakPolarHBondContact O-CB 3.48Å; K182-S186 PolarHBondContact O-N 3.08Å |
| 183 | Q | 97.6 | Very high | 96.8 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 175.2 | -74.7 | -179 | -20.9 | 0 | 0 | 111.9 | S179 I180 E181 S186 N187 | S179-Q183 WeakPolarHBondContact O-CG 3.49Å; S179-Q183 PolarHBondContact O-N 2.85Å; I180-Q183 WeakPolarHBondContact O-CB 3.34Å; I180-Q183 PolarHBondContact O-N 3.38Å; E181-Q183 VanDerWaalsContact C-N 3.33Å; E181-Q183 PolarHBondContact O-N 2.94Å; Q183-S186 PolarHBondContact O-N 2.97Å; Q183-N187 WeakPolarHBondContact O-CB 3.37Å; Q183-N187 PolarHBondContact O-N 3.05Å; Q183-N187 PolarHBondContact O-ND2 3Å |
| 184 | L | 97 | Very high | 96.7 | Very high | 105 Ų | 105 | 103.9 Ų | 103.9 | 55% | 0.55 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.2 | -173.3 | 142.3 | 0 | 0 | 0 | 110.7 | I180 E181 S186 N187 E188 | I180-L184 WeakPolarHBondContact O-CB 3.41Å; I180-L184 PolarHBondContact O-N 3.43Å; E181-L184 PolarHBondContact O-N 3.45Å; L184-S186 PolarHBondContact O-N 3.3Å; L184-N187 PolarHBondContact O-N 3.1Å; L184-E188 WeakPolarHBondContact O-CB 3.35Å; L184-E188 PolarHBondContact O-N 3.02Å |
| 185 | E | 97.9 | Very high | 96.7 | Very high | 103 Ų | 103 | 105.4 Ų | 105.4 | 48% | 0.481 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 173.9 | -173.9 | 64.3 | -144.5 | 0 | 0 | 111.3 | E181 N187 E188 I189 | E181-E185 WeakPolarHBondContact O-CB 3.48Å; E181-E185 PolarHBondContact O-N 2.81Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.21Å; E185-E188 PolarHBondContact O-N 3.3Å; E185-I189 HydrophobicContact CG-CD1 4.12Å; E185-I189 VanDerWaalsContact O-CG1 3.29Å; E185-I189 WeakPolarHBondContact O-CG1 3.36Å; E185-I189 PolarHBondContact O-N 2.86Å |
| 186 | S | 97.6 | Very high | 96.6 | Very high | 73 Ų | 73 | 107.2 Ų | 107.2 | 51% | 0.51 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175.9 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | K182 Q183 L184 E190 | K182-S186 WeakPolarHBondContact O-CB 3.48Å; K182-S186 PolarHBondContact O-N 3.08Å; Q183-S186 PolarHBondContact O-N 2.97Å; L184-S186 PolarHBondContact O-N 3.3Å; S186-E190 PolarHBondContact O-N 3.49Å; S186-E190 VanDerWaalsContact O-N 3.1Å |
| 187 | N | 97.2 | Very high | 96.4 | Very high | 88 Ų | 88 | 104.9 Ų | 104.9 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.1 | -37.2 | 177.3 | -69.1 | -16.3 | 0 | 0 | 0 | 111.6 | Q183 L184 E185 E190 I191 | Q183-N187 WeakPolarHBondContact O-CB 3.37Å; Q183-N187 PolarHBondContact O-N 3.05Å; Q183-N187 PolarHBondContact O-ND2 3Å; L184-N187 PolarHBondContact O-N 3.1Å; E185-N187 VanDerWaalsContact C-N 3.31Å; E185-N187 PolarHBondContact O-N 3.21Å; N187-E190 PolarHBondContact O-N 3.05Å; N187-I191 WeakPolarHBondContact O-CB 3.37Å; N187-I191 VanDerWaalsContact O-CG1 3.23Å; N187-I191 WeakPolarHBondContact O-CG1 3.29Å; N187-I191 PolarHBondContact O-N 3.31Å |
| 188 | E | 97.8 | Very high | 96.3 | Very high | 84 Ų | 84 | 108 Ų | 108 | 39% | 0.393 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -43 | 177.3 | -174.2 | 164.7 | -177 | 0 | 0 | 110.8 | L184 E185 E190 I191 R192 | L184-E188 WeakPolarHBondContact O-CB 3.35Å; L184-E188 PolarHBondContact O-N 3.02Å; E185-E188 PolarHBondContact O-N 3.3Å; E188-E190 VanDerWaalsContact C-N 3.34Å; E188-E190 PolarHBondContact O-N 3.25Å; E188-I191 PolarHBondContact O-N 3.18Å; E188-R192 WeakPolarHBondContact O-CB 3.3Å; E188-R192 WeakPolarHBondContact O-CG 3.25Å; E188-R192 PolarHBondContact O-N 2.99Å |
| 189 | I | 96.9 | Very high | 96.1 | Very high | 104 Ų | 104 | 106.8 Ų | 106.8 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 173.1 | -65 | 163.9 | 0 | 0 | 0 | 110.9 | E185 R192 F193 | E185-I189 HydrophobicContact CG-CD1 4.12Å; E185-I189 VanDerWaalsContact O-CG1 3.29Å; E185-I189 WeakPolarHBondContact O-CG1 3.36Å; E185-I189 PolarHBondContact O-N 2.86Å; I189-R192 PolarHBondContact O-N 2.96Å; I189-F193 WeakPolarHBondContact O-CB 3.46Å; I189-F193 PolarHBondContact O-N 3.29Å |
| 190 | E | 97.7 | Very high | 95.8 | Very high | 102 Ų | 102 | 106.2 Ų | 106.2 | 48% | 0.477 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -43 | 177.1 | -178.4 | 171.6 | -166.6 | 0 | 0 | 112.1 | S186 N187 E188 F193 W194 | S186-E190 PolarHBondContact O-N 3.49Å; S186-E190 VanDerWaalsContact O-N 3.1Å; N187-E190 PolarHBondContact O-N 3.05Å; E188-E190 VanDerWaalsContact C-N 3.34Å; E188-E190 PolarHBondContact O-N 3.25Å; E190-F193 WeakPolarHBondContact O-CB 3.39Å; E190-F193 PolarHBondContact O-N 3.31Å; E190-W194 PolarHBondContact O-N 3.28Å; E190-W194 PolarHBondContact OE1-NE1 2.89Å |
| 191 | I | 96 | Very high | 95.7 | Very high | 93 Ų | 93 | 106.5 Ų | 106.5 | 48% | 0.477 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.4 | -50.7 | 175.2 | -70.4 | 163.7 | 0 | 0 | 0 | 109.8 | N187 E188 F193 W194 E195 | N187-I191 WeakPolarHBondContact O-CB 3.37Å; N187-I191 VanDerWaalsContact O-CG1 3.23Å; N187-I191 WeakPolarHBondContact O-CG1 3.29Å; N187-I191 PolarHBondContact O-N 3.31Å; E188-I191 PolarHBondContact O-N 3.18Å; I191-F193 VanDerWaalsContact C-N 3.28Å; I191-F193 PolarHBondContact O-N 3.01Å; I191-W194 PolarHBondContact O-N 3.25Å; I191-W194 VanDerWaalsContact O-N 3.16Å; I191-E195 HydrophobicContact CG2-CG 4.14Å; I191-E195 WeakPolarHBondContact O-CB 3.23Å; I191-E195 WeakPolarHBondContact O-CG 3.35Å; I191-E195 PolarHBondContact O-N 3.1Å |
| 192 | R | 96.1 | Very high | 95.6 | Very high | 158 Ų | 158 | 103.9 Ų | 103.9 | 60% | 0.596 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -58.2 | -40.9 | 178.2 | -70.1 | -69.4 | -170.7 | 156.6 | 3 | 112 | E188 I189 Q196 | E188-R192 WeakPolarHBondContact O-CB 3.3Å; E188-R192 WeakPolarHBondContact O-CG 3.25Å; E188-R192 PolarHBondContact O-N 2.99Å; I189-R192 PolarHBondContact O-N 2.96Å; R192-Q196 VanDerWaalsContact O-CB 3.27Å; R192-Q196 WeakPolarHBondContact O-CB 3.46Å; R192-Q196 PolarHBondContact O-N 2.81Å |
| 193 | F | 95.9 | Very high | 95.5 | Very high | 113 Ų | 113 | 102.6 Ų | 102.6 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -47.4 | 176.1 | 173.1 | -97.6 | 0 | 0 | 0 | 112 | I189 E190 I191 K197 | I189-F193 WeakPolarHBondContact O-CB 3.46Å; I189-F193 PolarHBondContact O-N 3.29Å; E190-F193 WeakPolarHBondContact O-CB 3.39Å; E190-F193 PolarHBondContact O-N 3.31Å; I191-F193 VanDerWaalsContact C-N 3.28Å; I191-F193 PolarHBondContact O-N 3.01Å; F193-K197 HydrophobicContact CE1-CD 4.36Å; F193-K197 HydrophobicContact CZ-CD 4.44Å; F193-K197 VanDerWaalsContact O-CB 3.28Å; F193-K197 WeakPolarHBondContact O-CB 3.37Å; F193-K197 PolarHBondContact O-N 3.3Å |
| 194 | W | 95 | Very high | 95.4 | Very high | 130 Ų | 130 | 102.5 Ų | 102.5 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.3 | -39.1 | 178.8 | -72.7 | 116.3 | 0 | 0 | 0 | 113 | E190 I191 K197 Y198 | E190-W194 PolarHBondContact O-N 3.28Å; E190-W194 PolarHBondContact OE1-NE1 2.89Å; I191-W194 PolarHBondContact O-N 3.25Å; I191-W194 VanDerWaalsContact O-N 3.16Å; W194-K197 HydrophobicContact CE3-CD 4.02Å; W194-K197 HydrophobicContact CZ3-CD 3.86Å; W194-K197 PolarHBondContact O-N 3.42Å; W194-Y198 WeakPolarHBondContact O-CB 3.42Å; W194-Y198 PolarHBondContact O-N 3.33Å |
| 195 | E | 95.2 | Very high | 95.3 | Very high | 95 Ų | 95 | 101 Ų | 101 | 44% | 0.444 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 173.4 | -75.8 | 179.3 | 163.7 | 0 | 0 | 110.8 | I191 K197 Y198 N199 | I191-E195 HydrophobicContact CG2-CG 4.14Å; I191-E195 WeakPolarHBondContact O-CB 3.23Å; I191-E195 WeakPolarHBondContact O-CG 3.35Å; I191-E195 PolarHBondContact O-N 3.1Å; E195-K197 PolarHBondContact O-N 2.88Å; E195-Y198 PolarHBondContact O-N 3.45Å; E195-N199 VanDerWaalsContact O-CB 3.23Å; E195-N199 WeakPolarHBondContact O-CB 3.43Å; E195-N199 PolarHBondContact O-N 3.21Å; E195-N199 PolarHBondContact O-ND2 3.41Å |
| 196 | Q | 94.3 | Very high | 95.2 | Very high | 136 Ų | 136 | 100.2 Ų | 100.2 | 64% | 0.636 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.8 | -45.3 | 178.1 | -174.9 | 174.1 | 23.7 | 0 | 0 | 111.6 | R192 S200 | R192-Q196 VanDerWaalsContact O-CB 3.27Å; R192-Q196 WeakPolarHBondContact O-CB 3.46Å; R192-Q196 PolarHBondContact O-N 2.81Å; Q196-S200 WeakPolarHBondContact O-CB 3.44Å; Q196-S200 PolarHBondContact O-N 3.01Å; Q196-S200 PolarHBondContact O-OG 2.7Å |
| 197 | K | 93.5 | Very high | 95.2 | Very high | 96 Ų | 96 | 101 Ų | 101 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.5 | -178.4 | 174.4 | 178 | 177.6 | 0 | 112 | F193 W194 E195 N201 | F193-K197 HydrophobicContact CE1-CD 4.36Å; F193-K197 HydrophobicContact CZ-CD 4.44Å; F193-K197 VanDerWaalsContact O-CB 3.28Å; F193-K197 WeakPolarHBondContact O-CB 3.37Å; F193-K197 PolarHBondContact O-N 3.3Å; W194-K197 HydrophobicContact CE3-CD 4.02Å; W194-K197 HydrophobicContact CZ3-CD 3.86Å; W194-K197 PolarHBondContact O-N 3.42Å; E195-K197 PolarHBondContact O-N 2.88Å; K197-N201 WeakPolarHBondContact O-CB 3.26Å; K197-N201 PolarHBondContact O-N 2.82Å; K197-N201 VanDerWaalsContact O-N 3.12Å; K197-N201 PolarHBondContact O-ND2 2.92Å |
| 198 | Y | 93.3 | Very high | 95.2 | Very high | 150 Ų | 150 | 103.3 Ų | 103.3 | 59% | 0.588 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.8 | -43.4 | -179.4 | -172.3 | -105.2 | 0 | 0 | 0 | 111.7 | W194 E195 N201 L202 | W194-Y198 WeakPolarHBondContact O-CB 3.42Å; W194-Y198 PolarHBondContact O-N 3.33Å; E195-Y198 PolarHBondContact O-N 3.45Å; Y198-N201 PolarHBondContact O-N 3.43Å; Y198-L202 HydrophobicContact CD1-CD1 3.64Å; Y198-L202 HydrophobicContact CD1-CG 4.13Å; Y198-L202 HydrophobicContact CE1-CD1 3.2Å; Y198-L202 HydrophobicContact CE1-CD2 4.4Å; Y198-L202 HydrophobicContact CE1-CG 3.84Å; Y198-L202 WeakPolarHBondContact O-CB 3Å; Y198-L202 WeakPolarHBondContact O-CG 3.39Å; Y198-L202 PolarHBondContact O-N 3.18Å |
| 199 | N | 93.5 | Very high | 95.2 | Very high | 81 Ų | 81 | 102.4 Ų | 102.4 | 43% | 0.433 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 175.9 | -69.7 | -18.8 | 0 | 0 | 0 | 111.3 | E195 N201 L202 E203 | E195-N199 VanDerWaalsContact O-CB 3.23Å; E195-N199 WeakPolarHBondContact O-CB 3.43Å; E195-N199 PolarHBondContact O-N 3.21Å; E195-N199 PolarHBondContact O-ND2 3.41Å; N199-N201 VanDerWaalsContact C-N 3.34Å; N199-N201 PolarHBondContact O-N 2.95Å; N199-L202 PolarHBondContact O-N 3.46Å; N199-L202 VanDerWaalsContact O-N 3.17Å; N199-E203 WeakPolarHBondContact O-CB 3.4Å; N199-E203 VanDerWaalsContact O-CG 3.3Å; N199-E203 WeakPolarHBondContact O-CG 3.41Å; N199-E203 PolarHBondContact O-N 3.27Å |
| 200 | S | 90.2 | Very high | 95.2 | Very high | 48 Ų | 48 | 102 Ų | 102 | 34% | 0.336 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -44.6 | 176.9 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | Q196 L202 E203 E204 | Q196-S200 WeakPolarHBondContact O-CB 3.44Å; Q196-S200 PolarHBondContact O-N 3.01Å; Q196-S200 PolarHBondContact O-OG 2.7Å; S200-L202 PolarHBondContact O-N 3.5Å; S200-E203 PolarHBondContact O-N 3.48Å; S200-E204 WeakPolarHBondContact O-CG 3.41Å; S200-E204 PolarHBondContact O-N 3.14Å |
| 201 | N | 93.5 | Very high | 95.2 | Very high | 86 Ų | 86 | 102.9 Ų | 102.9 | 46% | 0.46 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 176.8 | -69.6 | -28.4 | 0 | 0 | 0 | 112.7 | K197 Y198 N199 E205 | K197-N201 WeakPolarHBondContact O-CB 3.26Å; K197-N201 PolarHBondContact O-N 2.82Å; K197-N201 VanDerWaalsContact O-N 3.12Å; K197-N201 PolarHBondContact O-ND2 2.92Å; Y198-N201 PolarHBondContact O-N 3.43Å; N199-N201 VanDerWaalsContact C-N 3.34Å; N199-N201 PolarHBondContact O-N 2.95Å; N201-E205 WeakPolarHBondContact O-CB 3.29Å; N201-E205 PolarHBondContact O-N 3.14Å |
| 202 | L | 94.6 | Very high | 95.2 | Very high | 68 Ų | 68 | 103.6 Ų | 103.6 | 36% | 0.356 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -69 | -43.8 | 176.9 | -78.3 | -176.4 | 0 | 0 | 0 | 111.6 | Y198 N199 S200 E204 E205 I206 | Y198-L202 HydrophobicContact CD1-CD1 3.64Å; Y198-L202 HydrophobicContact CD1-CG 4.13Å; Y198-L202 HydrophobicContact CE1-CD1 3.2Å; Y198-L202 HydrophobicContact CE1-CD2 4.4Å; Y198-L202 HydrophobicContact CE1-CG 3.84Å; Y198-L202 WeakPolarHBondContact O-CB 3Å; Y198-L202 WeakPolarHBondContact O-CG 3.39Å; Y198-L202 PolarHBondContact O-N 3.18Å; N199-L202 PolarHBondContact O-N 3.46Å; N199-L202 VanDerWaalsContact O-N 3.17Å; S200-L202 PolarHBondContact O-N 3.5Å; L202-E204 VanDerWaalsContact C-N 3.33Å; L202-E204 PolarHBondContact O-N 3.09Å; L202-E205 PolarHBondContact O-N 3.21Å; L202-I206 WeakPolarHBondContact O-CB 3.25Å; L202-I206 WeakPolarHBondContact O-CD1 3.08Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 3.15Å |
| 203 | E | 95.3 | Very high | 95.3 | Very high | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.9 | -46 | 176.4 | -75.1 | 170.1 | -169 | 0 | 0 | 110.6 | N199 S200 E205 I206 V207 | N199-E203 WeakPolarHBondContact O-CB 3.4Å; N199-E203 VanDerWaalsContact O-CG 3.3Å; N199-E203 WeakPolarHBondContact O-CG 3.41Å; N199-E203 PolarHBondContact O-N 3.27Å; S200-E203 PolarHBondContact O-N 3.48Å; E203-E205 PolarHBondContact O-N 2.97Å; E203-I206 PolarHBondContact O-N 3.48Å; E203-V207 VanDerWaalsContact O-CG2 3.29Å; E203-V207 WeakPolarHBondContact O-CG2 3.35Å; E203-V207 PolarHBondContact O-N 3.21Å |
| 204 | E | 94.9 | Very high | 95.4 | Very high | 114 Ų | 114 | 101.9 Ų | 101.9 | 53% | 0.533 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 174.8 | -73.1 | 178.3 | -165.5 | 0 | 0 | 112.9 | S200 L202 R208 | S200-E204 WeakPolarHBondContact O-CG 3.41Å; S200-E204 PolarHBondContact O-N 3.14Å; L202-E204 VanDerWaalsContact C-N 3.33Å; L202-E204 PolarHBondContact O-N 3.09Å; E204-R208 WeakPolarHBondContact O-CB 3.42Å; E204-R208 PolarHBondContact O-N 3.02Å |
| 205 | E | 95.9 | Very high | 95.5 | Very high | 73 Ų | 73 | 101.3 Ų | 101.3 | 34% | 0.341 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.3 | -40.1 | 177.4 | 179.4 | 65.4 | -179.2 | 0 | 0 | 112 | N201 L202 E203 R208 L209 | N201-E205 WeakPolarHBondContact O-CB 3.29Å; N201-E205 PolarHBondContact O-N 3.14Å; L202-E205 PolarHBondContact O-N 3.21Å; E203-E205 PolarHBondContact O-N 2.97Å; E205-R208 WeakPolarHBondContact O-CB 3.25Å; E205-R208 PolarHBondContact O-N 2.9Å; E205-R208 IonicContact OE2-CZ 4Å; E205-R208 IonicContact OE2-NH1 2.62Å; E205-R208 PolarHBondContact OE2-NH1 2.94Å; E205-L209 HydrophobicContact CG-CD1 4.11Å; E205-L209 HydrophobicContact CG-CG 4.45Å; E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 VanDerWaalsContact O-CG 3.32Å; E205-L209 WeakPolarHBondContact O-CG 3.23Å; E205-L209 PolarHBondContact O-N 3.26Å |
| 206 | I | 95.8 | Very high | 95.5 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 45% | 0.451 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.2 | -50.4 | 175.3 | -71 | 163.5 | 0 | 0 | 0 | 109.3 | L202 E203 R208 L209 E210 | L202-I206 WeakPolarHBondContact O-CB 3.25Å; L202-I206 WeakPolarHBondContact O-CD1 3.08Å; L202-I206 WeakPolarHBondContact O-CG1 3.42Å; L202-I206 PolarHBondContact O-N 3.15Å; E203-I206 PolarHBondContact O-N 3.48Å; I206-R208 VanDerWaalsContact C-N 3.29Å; I206-R208 PolarHBondContact O-N 3.43Å; I206-L209 PolarHBondContact O-N 3.35Å; I206-L209 VanDerWaalsContact O-N 3.14Å; I206-E210 HydrophobicContact CG2-CG 4.25Å; I206-E210 WeakPolarHBondContact CG2-OE1 3.36Å; I206-E210 WeakPolarHBondContact O-CB 3.5Å; I206-E210 WeakPolarHBondContact O-CG 3.42Å; I206-E210 PolarHBondContact O-N 3.4Å |
| 207 | V | 96.4 | Very high | 95.7 | Very high | 89 Ų | 89 | 96.9 Ų | 96.9 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.8 | -41.7 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | E203 E210 Q211 | E203-V207 VanDerWaalsContact O-CG2 3.29Å; E203-V207 WeakPolarHBondContact O-CG2 3.35Å; E203-V207 PolarHBondContact O-N 3.21Å; V207-E210 PolarHBondContact O-N 3.12Å; V207-Q211 WeakPolarHBondContact O-CB 3.22Å; V207-Q211 PolarHBondContact O-N 3.48Å |
| 208 | R | 97 | Very high | 95.9 | Very high | 136 Ų | 136 | 95.8 Ų | 95.8 | 51% | 0.513 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.1 | -42.6 | 176.8 | -176 | -174.1 | -63 | 130.3 | 6.6 | 112.1 | E204 E205 I206 K212 | E204-R208 WeakPolarHBondContact O-CB 3.42Å; E204-R208 PolarHBondContact O-N 3.02Å; E205-R208 WeakPolarHBondContact O-CB 3.25Å; E205-R208 PolarHBondContact O-N 2.9Å; E205-R208 IonicContact OE2-CZ 4Å; E205-R208 IonicContact OE2-NH1 2.62Å; E205-R208 PolarHBondContact OE2-NH1 2.94Å; I206-R208 VanDerWaalsContact C-N 3.29Å; I206-R208 PolarHBondContact O-N 3.43Å; R208-K212 WeakPolarHBondContact O-CB 3.46Å; R208-K212 PolarHBondContact O-N 3.08Å; R208-K212 VanDerWaalsContact O-N 3.08Å |
| 209 | L | 97.7 | Very high | 96 | Very high | 65 Ų | 65 | 93.7 Ų | 93.7 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.6 | -42.5 | 178.4 | -72.4 | 175 | 0 | 0 | 0 | 111.6 | E205 I206 Q211 K212 I213 | E205-L209 HydrophobicContact CG-CD1 4.11Å; E205-L209 HydrophobicContact CG-CG 4.45Å; E205-L209 WeakPolarHBondContact O-CB 3.48Å; E205-L209 VanDerWaalsContact O-CG 3.32Å; E205-L209 WeakPolarHBondContact O-CG 3.23Å; E205-L209 PolarHBondContact O-N 3.26Å; I206-L209 PolarHBondContact O-N 3.35Å; I206-L209 VanDerWaalsContact O-N 3.14Å; L209-Q211 PolarHBondContact O-N 3.31Å; L209-K212 CarbonylContact O-C 3.59Å; L209-K212 WeakPolarHBondContact O-CA 3.48Å; L209-K212 WeakPolarHBondContact O-CB 3.43Å; L209-K212 PolarHBondContact O-N 3.34Å; L209-K212 VanDerWaalsContact O-N 3.1Å; L209-I213 WeakPolarHBondContact O-CG1 3.43Å; L209-I213 PolarHBondContact O-N 3.28Å |
| 210 | E | 97.4 | Very high | 96.2 | Very high | 97 Ų | 97 | 93.7 Ų | 93.7 | 45% | 0.453 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 175.1 | -73.7 | 178.2 | 175.5 | 0 | 0 | 111.8 | I206 V207 K212 I213 K214 | I206-E210 HydrophobicContact CG2-CG 4.25Å; I206-E210 WeakPolarHBondContact CG2-OE1 3.36Å; I206-E210 WeakPolarHBondContact O-CB 3.5Å; I206-E210 WeakPolarHBondContact O-CG 3.42Å; I206-E210 PolarHBondContact O-N 3.4Å; V207-E210 PolarHBondContact O-N 3.12Å; E210-K212 PolarHBondContact O-N 2.78Å; E210-I213 PolarHBondContact O-N 3.35Å; E210-K214 WeakPolarHBondContact O-CG 3.35Å; E210-K214 PolarHBondContact O-N 3.18Å |
| 211 | Q | 97.2 | Very high | 96.4 | Very high | 119 Ų | 119 | 97.6 Ų | 97.6 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64 | -33.3 | 174.9 | -168.8 | -178.1 | 19.7 | 0 | 0 | 111.8 | V207 L209 R215 | V207-Q211 WeakPolarHBondContact O-CB 3.22Å; V207-Q211 PolarHBondContact O-N 3.48Å; L209-Q211 PolarHBondContact O-N 3.31Å; Q211-R215 WeakPolarHBondContact O-CG 3.49Å; Q211-R215 PolarHBondContact O-N 2.87Å; Q211-R215 PolarHBondContact O-NE 3.45Å |
| 212 | K | 97.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 98.8 Ų | 98.8 | 47% | 0.47 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70 | -42.7 | 174.6 | -173.4 | 175.6 | 179.7 | 178.2 | 0 | 111.9 | R208 L209 E210 R215 N216 | R208-K212 WeakPolarHBondContact O-CB 3.46Å; R208-K212 PolarHBondContact O-N 3.08Å; R208-K212 VanDerWaalsContact O-N 3.08Å; L209-K212 CarbonylContact O-C 3.59Å; L209-K212 WeakPolarHBondContact O-CA 3.48Å; L209-K212 WeakPolarHBondContact O-CB 3.43Å; L209-K212 PolarHBondContact O-N 3.34Å; L209-K212 VanDerWaalsContact O-N 3.1Å; E210-K212 PolarHBondContact O-N 2.78Å; K212-R215 PolarHBondContact O-N 3.07Å; K212-N216 WeakPolarHBondContact O-CB 3.47Å; K212-N216 VanDerWaalsContact O-CG 3.3Å; K212-N216 PolarHBondContact O-N 2.9Å; K212-N216 PolarHBondContact O-OD1 2.81Å; K212-N216 VanDerWaalsContact O-OD1 3.13Å |
| 213 | I | 97.3 | Very high | 96.6 | Very high | 96 Ų | 96 | 101.6 Ų | 101.6 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.3 | -50.6 | 175.4 | -70.9 | 165.4 | 0 | 0 | 0 | 109.5 | L209 E210 R215 N216 D217 | L209-I213 WeakPolarHBondContact O-CG1 3.43Å; L209-I213 PolarHBondContact O-N 3.28Å; E210-I213 PolarHBondContact O-N 3.35Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.13Å; I213-N216 CarbonylContact O-C 3.57Å; I213-N216 WeakPolarHBondContact O-CB 3.31Å; I213-N216 PolarHBondContact O-N 3.35Å; I213-D217 WeakPolarHBondContact CG2-OD2 3.31Å; I213-D217 PolarHBondContact O-N 3.42Å |
| 214 | K | 97.6 | Very high | 96.7 | Very high | 140 Ų | 140 | 100.7 Ų | 100.7 | 61% | 0.609 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -55.9 | -39.4 | 177 | -71 | 173.9 | -178.4 | 174.5 | 0 | 113.7 | E210 V218 | E210-K214 WeakPolarHBondContact O-CG 3.35Å; E210-K214 PolarHBondContact O-N 3.18Å; K214-V218 WeakPolarHBondContact O-CG2 3.41Å; K214-V218 PolarHBondContact O-N 3.31Å |
| 215 | R | 96.9 | Very high | 96.8 | Very high | 117 Ų | 117 | 99.7 Ų | 99.7 | 44% | 0.442 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 175.9 | -78.8 | -175 | -77.9 | 98.2 | -2.8 | 111.8 | Q211 K212 I213 D217 V218 E219 | Q211-R215 WeakPolarHBondContact O-CG 3.49Å; Q211-R215 PolarHBondContact O-N 2.87Å; Q211-R215 PolarHBondContact O-NE 3.45Å; K212-R215 PolarHBondContact O-N 3.07Å; I213-R215 VanDerWaalsContact C-N 3.28Å; I213-R215 PolarHBondContact O-N 3.13Å; R215-D217 VanDerWaalsContact C-N 3.3Å; R215-D217 PolarHBondContact O-N 3.45Å; R215-V218 PolarHBondContact O-N 2.88Å; R215-E219 WeakPolarHBondContact O-CG 3.37Å; R215-E219 PolarHBondContact O-N 2.96Å |
| 216 | N | 96.9 | Very high | 96.9 | Very high | 63 Ų | 63 | 102.2 Ų | 102.2 | 34% | 0.337 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.9 | -38.1 | 176.7 | -72 | 19.3 | 0 | 0 | 0 | 111.8 | K212 I213 E219 I220 | K212-N216 WeakPolarHBondContact O-CB 3.47Å; K212-N216 VanDerWaalsContact O-CG 3.3Å; K212-N216 PolarHBondContact O-N 2.9Å; K212-N216 PolarHBondContact O-OD1 2.81Å; K212-N216 VanDerWaalsContact O-OD1 3.13Å; I213-N216 CarbonylContact O-C 3.57Å; I213-N216 WeakPolarHBondContact O-CB 3.31Å; I213-N216 PolarHBondContact O-N 3.35Å; N216-E219 PolarHBondContact O-N 3.42Å; N216-I220 VanDerWaalsContact O-CG1 3.27Å; N216-I220 WeakPolarHBondContact O-CG1 3.22Å; N216-I220 PolarHBondContact O-N 2.93Å |
| 217 | D | 97.5 | Very high | 97 | Very high | 76 Ų | 76 | 104.2 Ų | 104.2 | 41% | 0.406 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 177.8 | -63.6 | -25.1 | 0 | 0 | 0 | 110.6 | I213 R215 I220 E221 | I213-D217 WeakPolarHBondContact CG2-OD2 3.31Å; I213-D217 PolarHBondContact O-N 3.42Å; R215-D217 VanDerWaalsContact C-N 3.3Å; R215-D217 PolarHBondContact O-N 3.45Å; D217-I220 PolarHBondContact O-N 2.91Å; D217-E221 WeakPolarHBondContact O-CG 3.37Å; D217-E221 PolarHBondContact O-N 3.24Å |
| 218 | V | 96.7 | Very high | 97 | Very high | 73 Ų | 73 | 104.4 Ų | 104.4 | 44% | 0.442 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -42.5 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | K214 R215 I220 E221 E222 | K214-V218 WeakPolarHBondContact O-CG2 3.41Å; K214-V218 PolarHBondContact O-N 3.31Å; R215-V218 PolarHBondContact O-N 2.88Å; V218-I220 VanDerWaalsContact C-N 3.33Å; V218-I220 PolarHBondContact O-N 2.85Å; V218-E221 PolarHBondContact O-N 2.86Å; V218-E222 WeakPolarHBondContact O-CG 3.32Å; V218-E222 PolarHBondContact O-N 3.46Å |
| 219 | E | 95.9 | Very high | 96.9 | Very high | 105 Ų | 105 | 101.1 Ų | 101.1 | 49% | 0.491 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176.7 | -73.4 | 171 | -169.7 | 0 | 0 | 111.6 | R215 N216 E222 E223 | R215-E219 WeakPolarHBondContact O-CG 3.37Å; R215-E219 PolarHBondContact O-N 2.96Å; N216-E219 PolarHBondContact O-N 3.42Å; E219-E222 PolarHBondContact O-N 2.94Å; E219-E223 WeakPolarHBondContact O-CG 3.46Å; E219-E223 PolarHBondContact O-N 3.41Å |
| 220 | I | 97.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 102.8 Ų | 102.8 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -46.1 | 176.7 | -69.1 | 162.7 | 0 | 0 | 0 | 110.9 | N216 D217 V218 E222 E223 E224 | N216-I220 VanDerWaalsContact O-CG1 3.27Å; N216-I220 WeakPolarHBondContact O-CG1 3.22Å; N216-I220 PolarHBondContact O-N 2.93Å; D217-I220 PolarHBondContact O-N 2.91Å; V218-I220 VanDerWaalsContact C-N 3.33Å; V218-I220 PolarHBondContact O-N 2.85Å; I220-E222 VanDerWaalsContact C-N 3.27Å; I220-E222 PolarHBondContact O-N 3.39Å; I220-E223 PolarHBondContact O-N 2.92Å; I220-E223 VanDerWaalsContact O-N 3.17Å; I220-E224 HydrophobicContact CG2-CG 4.35Å; I220-E224 WeakPolarHBondContact O-CG 3.4Å; I220-E224 PolarHBondContact O-N 3.35Å |
| 221 | E | 96.2 | Very high | 96.9 | Very high | 129 Ų | 129 | 103 Ų | 103 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.6 | -38.4 | 177.3 | -73.2 | 176 | -173.7 | 0 | 0 | 111.9 | D217 V218 F225 | D217-E221 WeakPolarHBondContact O-CG 3.37Å; D217-E221 PolarHBondContact O-N 3.24Å; V218-E221 PolarHBondContact O-N 2.86Å; E221-F225 WeakPolarHBondContact O-CB 3.42Å; E221-F225 PolarHBondContact O-N 2.91Å |
| 222 | E | 95.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 101.1 Ų | 101.1 | 52% | 0.519 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 174.4 | -74.2 | -179 | -175.4 | 0 | 0 | 112.1 | V218 E219 I220 F225 W226 | V218-E222 WeakPolarHBondContact O-CG 3.32Å; V218-E222 PolarHBondContact O-N 3.46Å; E219-E222 PolarHBondContact O-N 2.94Å; I220-E222 VanDerWaalsContact C-N 3.27Å; I220-E222 PolarHBondContact O-N 3.39Å; E222-F225 WeakPolarHBondContact O-CB 3.37Å; E222-F225 PolarHBondContact O-N 3.43Å; E222-W226 PolarHBondContact O-N 2.95Å |
| 223 | E | 95.6 | Very high | 96.7 | Very high | 127 Ų | 127 | 100.3 Ų | 100.3 | 59% | 0.593 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.2 | -47.7 | 175.5 | -74.8 | -179.1 | 173.2 | 0 | 0 | 111.2 | E219 I220 F225 W226 E227 | E219-E223 WeakPolarHBondContact O-CG 3.46Å; E219-E223 PolarHBondContact O-N 3.41Å; I220-E223 PolarHBondContact O-N 2.92Å; I220-E223 VanDerWaalsContact O-N 3.17Å; E223-F225 VanDerWaalsContact C-N 3.31Å; E223-F225 PolarHBondContact O-N 3.41Å; E223-W226 PolarHBondContact O-N 2.9Å; E223-E227 WeakPolarHBondContact O-CG 3.37Å; E223-E227 PolarHBondContact O-N 3.3Å |
| 224 | E | 96.9 | Very high | 96.7 | Very high | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 176.1 | -71.9 | -179.9 | 177.5 | 0 | 0 | 111.9 | I220 E227 N228 | I220-E224 HydrophobicContact CG2-CG 4.35Å; I220-E224 WeakPolarHBondContact O-CG 3.4Å; I220-E224 PolarHBondContact O-N 3.35Å; E224-E227 PolarHBondContact O-N 2.88Å; E224-N228 VanDerWaalsContact O-CG 3.26Å; E224-N228 PolarHBondContact O-N 3.5Å; E224-N228 PolarHBondContact O-ND2 2.84Å |
| 225 | F | 98.1 | Very high | 96.7 | Very high | 93 Ų | 93 | 98.9 Ų | 98.9 | 41% | 0.408 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | 174.9 | 175.4 | -95.6 | 0 | 0 | 0 | 111.7 | E221 E222 E223 E227 N228 E229 | E221-F225 WeakPolarHBondContact O-CB 3.42Å; E221-F225 PolarHBondContact O-N 2.91Å; E222-F225 WeakPolarHBondContact O-CB 3.37Å; E222-F225 PolarHBondContact O-N 3.43Å; E223-F225 VanDerWaalsContact C-N 3.31Å; E223-F225 PolarHBondContact O-N 3.41Å; F225-E227 PolarHBondContact O-N 3.42Å; F225-N228 PolarHBondContact O-N 3.38Å; F225-E229 HydrophobicContact CD1-CG 4.27Å; F225-E229 HydrophobicContact CE1-CG 3.76Å; F225-E229 HydrophobicContact CE2-CG 4.05Å; F225-E229 HydrophobicContact CZ-CG 3.63Å; F225-E229 WeakPolarHBondContact O-CG 3.2Å; F225-E229 PolarHBondContact O-N 2.91Å |
| 226 | W | 97.9 | Very high | 96.6 | Very high | 125 Ų | 125 | 96.2 Ų | 96.2 | 47% | 0.473 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.3 | -33.5 | 179.8 | -72.8 | 115.9 | 0 | 0 | 0 | 113.1 | E222 E223 L230 | E222-W226 PolarHBondContact O-N 2.95Å; E223-W226 PolarHBondContact O-N 2.9Å; W226-L230 WeakPolarHBondContact O-CB 3.26Å; W226-L230 PolarHBondContact O-N 3.38Å |
| 227 | E | 96.8 | Very high | 96.5 | Very high | 130 Ų | 130 | 98 Ų | 98 | 61% | 0.607 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.7 | -45.2 | 173.2 | -75 | -178.4 | 170.4 | 0 | 0 | 111.4 | E223 E224 F225 L230 Q231 | E223-E227 WeakPolarHBondContact O-CG 3.37Å; E223-E227 PolarHBondContact O-N 3.3Å; E224-E227 PolarHBondContact O-N 2.88Å; F225-E227 PolarHBondContact O-N 3.42Å; E227-L230 PolarHBondContact O-N 2.95Å; E227-Q231 WeakPolarHBondContact O-CB 3.46Å; E227-Q231 PolarHBondContact O-N 3.38Å |
| 228 | N | 96.8 | Very high | 96.6 | Very high | 93 Ų | 93 | 100.9 Ų | 100.9 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.7 | -71.3 | -42.8 | 0 | 0 | 0 | 111.9 | E224 F225 L230 Q231 I232 | E224-N228 VanDerWaalsContact O-CG 3.26Å; E224-N228 PolarHBondContact O-N 3.5Å; E224-N228 PolarHBondContact O-ND2 2.84Å; F225-N228 PolarHBondContact O-N 3.38Å; N228-L230 VanDerWaalsContact C-N 3.34Å; N228-L230 PolarHBondContact O-N 3.4Å; N228-Q231 PolarHBondContact O-N 3.43Å; N228-I232 WeakPolarHBondContact O-CG1 3.47Å; N228-I232 PolarHBondContact O-N 3.07Å |
| 229 | E | 95.9 | Very high | 96.6 | Very high | 68 Ų | 68 | 102.5 Ų | 102.5 | 32% | 0.318 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 177.5 | -72.3 | -66.9 | 132 | 0 | 0 | 112.2 | F225 Q231 I232 E233 | F225-E229 HydrophobicContact CD1-CG 4.27Å; F225-E229 HydrophobicContact CE1-CG 3.76Å; F225-E229 HydrophobicContact CE2-CG 4.05Å; F225-E229 HydrophobicContact CZ-CG 3.63Å; F225-E229 WeakPolarHBondContact O-CG 3.2Å; F225-E229 PolarHBondContact O-N 2.91Å; E229-Q231 VanDerWaalsContact C-N 3.34Å; E229-I232 PolarHBondContact O-N 2.99Å; E229-E233 WeakPolarHBondContact O-CB 3.47Å; E229-E233 PolarHBondContact O-N 3.43Å |
| 230 | L | 96.9 | Very high | 96.7 | Very high | 99 Ų | 99 | 102.3 Ų | 102.3 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 174.8 | 177.3 | 63.3 | 0 | 0 | 0 | 110.9 | W226 E227 N228 E233 Q234 | W226-L230 WeakPolarHBondContact O-CB 3.26Å; W226-L230 PolarHBondContact O-N 3.38Å; E227-L230 PolarHBondContact O-N 2.95Å; N228-L230 VanDerWaalsContact C-N 3.34Å; N228-L230 PolarHBondContact O-N 3.4Å; L230-E233 PolarHBondContact O-N 3.41Å; L230-Q234 HydrophobicContact CD1-CG 4.41Å; L230-Q234 WeakPolarHBondContact O-CB 3.06Å; L230-Q234 VanDerWaalsContact O-CG 3.27Å; L230-Q234 WeakPolarHBondContact O-CG 3.33Å; L230-Q234 PolarHBondContact O-N 2.78Å |
| 231 | Q | 98.2 | Very high | 96.7 | Very high | 103 Ų | 103 | 104 Ų | 104 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 176.3 | -176.6 | 179.3 | -31.4 | 0 | 0 | 111.2 | E227 N228 E229 E233 Q234 E235 | E227-Q231 WeakPolarHBondContact O-CB 3.46Å; E227-Q231 PolarHBondContact O-N 3.38Å; N228-Q231 PolarHBondContact O-N 3.43Å; E229-Q231 VanDerWaalsContact C-N 3.34Å; Q231-E233 VanDerWaalsContact C-N 3.3Å; Q231-E233 PolarHBondContact O-N 2.95Å; Q231-Q234 PolarHBondContact O-N 2.84Å; Q231-E235 PolarHBondContact NE2-OE1 3.33Å; Q231-E235 WeakPolarHBondContact O-CG 3.24Å; Q231-E235 PolarHBondContact O-N 3Å |
| 232 | I | 95.7 | Very high | 96.8 | Very high | 78 Ų | 78 | 101.9 Ų | 101.9 | 40% | 0.4 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -57.7 | -45 | 176 | -68.3 | 164 | 0 | 0 | 0 | 110.5 | N228 E229 Q234 E235 N236 | N228-I232 WeakPolarHBondContact O-CG1 3.47Å; N228-I232 PolarHBondContact O-N 3.07Å; E229-I232 PolarHBondContact O-N 2.99Å; I232-Q234 PolarHBondContact O-N 3.3Å; I232-E235 PolarHBondContact O-N 3.3Å; I232-N236 WeakPolarHBondContact O-CB 3.32Å; I232-N236 PolarHBondContact O-N 3.05Å; I232-N236 PolarHBondContact O-ND2 3.12Å |
| 233 | E | 94.5 | Very high | 96.9 | Very high | 91 Ų | 91 | 101.7 Ų | 101.7 | 43% | 0.425 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.2 | -36.1 | 179 | -167.5 | 72.1 | 166.5 | 0 | 0 | 112.2 | R103 E229 L230 Q231 N236 E237 | R103-E233 IonicContact NH2-OE1 3.79Å; R103-E233 PolarHBondContact NH2-OE1 2.92Å; E229-E233 WeakPolarHBondContact O-CB 3.47Å; E229-E233 PolarHBondContact O-N 3.43Å; L230-E233 PolarHBondContact O-N 3.41Å; Q231-E233 VanDerWaalsContact C-N 3.3Å; Q231-E233 PolarHBondContact O-N 2.95Å; E233-N236 PolarHBondContact O-N 2.85Å; E233-E237 WeakPolarHBondContact O-CB 3.36Å; E233-E237 PolarHBondContact O-N 3.15Å |
| 234 | Q | 97 | Very high | 97 | Very high | 110 Ų | 110 | 100.4 Ų | 100.4 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.9 | -40.4 | 173.6 | -74.6 | 175.2 | 5.4 | 0 | 0 | 112.1 | L230 Q231 I232 E237 K238 | L230-Q234 HydrophobicContact CD1-CG 4.41Å; L230-Q234 WeakPolarHBondContact O-CB 3.06Å; L230-Q234 VanDerWaalsContact O-CG 3.27Å; L230-Q234 WeakPolarHBondContact O-CG 3.33Å; L230-Q234 PolarHBondContact O-N 2.78Å; Q231-Q234 PolarHBondContact O-N 2.84Å; I232-Q234 PolarHBondContact O-N 3.3Å; Q234-E237 PolarHBondContact O-N 2.88Å; Q234-K238 WeakPolarHBondContact O-CB 3.46Å; Q234-K238 PolarHBondContact O-N 2.87Å |
| 235 | E | 96.8 | Very high | 97 | Very high | 96 Ų | 96 | 101.7 Ų | 101.7 | 45% | 0.449 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65.4 | -43 | 174.3 | -72 | 178.3 | -165.3 | 0 | 0 | 111.3 | Q231 I232 K238 Q239 | Q231-E235 PolarHBondContact NE2-OE1 3.33Å; Q231-E235 WeakPolarHBondContact O-CG 3.24Å; Q231-E235 PolarHBondContact O-N 3Å; I232-E235 PolarHBondContact O-N 3.3Å; E235-K238 WeakPolarHBondContact O-CB 3.43Å; E235-K238 PolarHBondContact O-N 3.36Å; E235-Q239 WeakPolarHBondContact O-CG 3.23Å; E235-Q239 PolarHBondContact O-N 2.81Å |
| 236 | N | 95 | Very high | 97.1 | Very high | 62 Ų | 62 | 102.1 Ų | 102.1 | 33% | 0.332 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 173.8 | -69 | -26.5 | 0 | 0 | 0 | 111.4 | I232 E233 K238 Q239 L240 | I232-N236 WeakPolarHBondContact O-CB 3.32Å; I232-N236 PolarHBondContact O-N 3.05Å; I232-N236 PolarHBondContact O-ND2 3.12Å; E233-N236 PolarHBondContact O-N 2.85Å; N236-K238 VanDerWaalsContact C-N 3.29Å; N236-K238 PolarHBondContact O-N 2.78Å; N236-Q239 PolarHBondContact O-N 2.8Å; N236-L240 VanDerWaalsContact O-CD1 3.26Å; N236-L240 WeakPolarHBondContact O-CD1 3.3Å; N236-L240 PolarHBondContact O-N 2.88Å |
| 237 | E | 96.4 | Very high | 97.1 | Very high | 100 Ų | 100 | 100.6 Ų | 100.6 | 47% | 0.467 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 177 | -172.2 | -170.9 | 166.2 | 0 | 0 | 110.8 | E233 Q234 L240 K241 | E233-E237 WeakPolarHBondContact O-CB 3.36Å; E233-E237 PolarHBondContact O-N 3.15Å; Q234-E237 PolarHBondContact O-N 2.88Å; E237-L240 PolarHBondContact O-N 2.77Å; E237-K241 HydrophobicContact CG-CD 4.37Å; E237-K241 WeakPolarHBondContact O-CB 3.4Å; E237-K241 VanDerWaalsContact O-CG 3.3Å; E237-K241 WeakPolarHBondContact O-CG 3.31Å; E237-K241 PolarHBondContact O-N 2.94Å; E237-K241 WeakPolarHBondContact OE1-CE 3.18Å; E237-K241 IonicContact OE1-NZ 2.98Å; E237-K241 PolarHBondContact OE1-NZ 2.81Å |
| 238 | K | 97.7 | Very high | 97.1 | Very high | 136 Ų | 136 | 103 Ų | 103 | 59% | 0.591 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.8 | -48 | 175.2 | -175.6 | -176.7 | 174.3 | -173.8 | 0 | 111.4 | Q234 E235 N236 L240 K241 D242 | Q234-K238 WeakPolarHBondContact O-CB 3.46Å; Q234-K238 PolarHBondContact O-N 2.87Å; E235-K238 WeakPolarHBondContact O-CB 3.43Å; E235-K238 PolarHBondContact O-N 3.36Å; N236-K238 VanDerWaalsContact C-N 3.29Å; N236-K238 PolarHBondContact O-N 2.78Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 2.8Å; K238-K241 WeakPolarHBondContact O-CB 3.31Å; K238-K241 PolarHBondContact O-N 2.83Å; K238-K241 VanDerWaalsContact O-N 3.16Å; K238-D242 VanDerWaalsContact O-CG 3.29Å; K238-D242 PolarHBondContact O-N 2.87Å |
| 239 | Q | 98.2 | Very high | 97.2 | Very high | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59.2 | -43 | 176.6 | -71.8 | 178.8 | 9.8 | 0 | 0 | 112.1 | E235 N236 D242 Q243 | E235-Q239 WeakPolarHBondContact O-CG 3.23Å; E235-Q239 PolarHBondContact O-N 2.81Å; N236-Q239 PolarHBondContact O-N 2.8Å; Q239-D242 PolarHBondContact O-N 3.03Å; Q239-Q243 WeakPolarHBondContact O-CB 3.4Å; Q239-Q243 VanDerWaalsContact O-CG 3.31Å; Q239-Q243 WeakPolarHBondContact O-CG 3.35Å; Q239-Q243 PolarHBondContact O-N 2.76Å |
| 240 | L | 96.5 | Very high | 97.3 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 53% | 0.534 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -39.6 | 176.2 | -95.6 | 70.8 | 0 | 0 | 0 | 111.7 | N236 E237 K238 Q243 L244 | N236-L240 VanDerWaalsContact O-CD1 3.26Å; N236-L240 WeakPolarHBondContact O-CD1 3.3Å; N236-L240 PolarHBondContact O-N 2.88Å; E237-L240 PolarHBondContact O-N 2.77Å; K238-L240 VanDerWaalsContact C-N 3.33Å; K238-L240 PolarHBondContact O-N 2.8Å; L240-Q243 PolarHBondContact O-N 3.17Å; L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.25Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 2.75Å |
| 241 | K | 97.9 | Very high | 97.4 | Very high | 116 Ų | 116 | 104.6 Ų | 104.6 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -44.2 | 174.4 | -77.1 | 173 | -178.7 | 167.2 | 0 | 111.7 | E237 K238 L244 Q245 | E237-K241 HydrophobicContact CG-CD 4.37Å; E237-K241 WeakPolarHBondContact O-CB 3.4Å; E237-K241 VanDerWaalsContact O-CG 3.3Å; E237-K241 WeakPolarHBondContact O-CG 3.31Å; E237-K241 PolarHBondContact O-N 2.94Å; E237-K241 WeakPolarHBondContact OE1-CE 3.18Å; E237-K241 IonicContact OE1-NZ 2.98Å; E237-K241 PolarHBondContact OE1-NZ 2.81Å; K238-K241 WeakPolarHBondContact O-CB 3.31Å; K238-K241 PolarHBondContact O-N 2.83Å; K238-K241 VanDerWaalsContact O-N 3.16Å; K241-L244 PolarHBondContact O-N 3Å; K241-Q245 WeakPolarHBondContact O-CB 3.37Å; K241-Q245 PolarHBondContact O-N 3.29Å |
| 242 | D | 98.3 | Very high | 97.4 | Very high | 85 Ų | 85 | 102.3 Ų | 102.3 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 178.4 | -67.7 | -18.8 | 0 | 0 | 0 | 110.8 | K238 Q239 L244 Q245 E246 | K238-D242 VanDerWaalsContact O-CG 3.29Å; K238-D242 PolarHBondContact O-N 2.87Å; Q239-D242 PolarHBondContact O-N 3.03Å; D242-L244 PolarHBondContact O-N 2.93Å; D242-Q245 PolarHBondContact O-N 2.82Å; D242-E246 PolarHBondContact O-N 3.02Å |
| 243 | Q | 97.8 | Very high | 97.5 | Very high | 108 Ų | 108 | 102.4 Ų | 102.4 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 174.1 | -73.5 | 177.7 | -4 | 0 | 0 | 112.5 | Q239 L240 Q245 E246 I247 | Q239-Q243 WeakPolarHBondContact O-CB 3.4Å; Q239-Q243 VanDerWaalsContact O-CG 3.31Å; Q239-Q243 WeakPolarHBondContact O-CG 3.35Å; Q239-Q243 PolarHBondContact O-N 2.76Å; L240-Q243 PolarHBondContact O-N 3.17Å; Q243-Q245 VanDerWaalsContact C-N 3.31Å; Q243-Q245 PolarHBondContact O-N 3.01Å; Q243-E246 PolarHBondContact O-N 2.6Å; Q243-I247 WeakPolarHBondContact O-CG1 3.5Å; Q243-I247 PolarHBondContact O-N 2.95Å |
| 244 | L | 97.4 | Very high | 97.7 | Very high | 99 Ų | 99 | 102 Ų | 102 | 52% | 0.518 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.4 | -78.7 | 171.5 | 0 | 0 | 0 | 111.5 | L240 K241 D242 R248 | L240-L244 WeakPolarHBondContact O-CB 3.42Å; L240-L244 VanDerWaalsContact O-CG 3.25Å; L240-L244 WeakPolarHBondContact O-CG 3.45Å; L240-L244 PolarHBondContact O-N 2.75Å; K241-L244 PolarHBondContact O-N 3Å; D242-L244 PolarHBondContact O-N 2.93Å; L244-R248 WeakPolarHBondContact O-CB 3.43Å; L244-R248 VanDerWaalsContact O-CG 3.23Å; L244-R248 WeakPolarHBondContact O-CG 3.4Å; L244-R248 PolarHBondContact O-N 3.16Å |
| 245 | Q | 98.3 | Very high | 97.8 | Very high | 135 Ų | 135 | 101.3 Ų | 101.3 | 63% | 0.631 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.4 | -42.1 | 175.1 | -177.1 | 175.2 | -16.6 | 0 | 0 | 111.4 | K241 D242 Q243 R248 Q249 | K241-Q245 WeakPolarHBondContact O-CB 3.37Å; K241-Q245 PolarHBondContact O-N 3.29Å; D242-Q245 PolarHBondContact O-N 2.82Å; Q243-Q245 VanDerWaalsContact C-N 3.31Å; Q243-Q245 PolarHBondContact O-N 3.01Å; Q245-R248 PolarHBondContact O-N 3.39Å; Q245-Q249 WeakPolarHBondContact O-CB 3.36Å; Q245-Q249 PolarHBondContact O-N 3.23Å |
| 246 | E | 98.5 | Very high | 97.8 | Very high | 101 Ų | 101 | 100.7 Ų | 100.7 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.7 | -46.1 | 175.6 | -170.9 | -170.1 | 165.3 | 0 | 0 | 111.6 | D242 Q243 R248 Q249 K250 | D242-E246 PolarHBondContact O-N 3.02Å; Q243-E246 PolarHBondContact O-N 2.6Å; E246-R248 PolarHBondContact O-N 2.98Å; E246-Q249 PolarHBondContact O-N 3.43Å; E246-K250 WeakPolarHBondContact O-CG 3.25Å; E246-K250 PolarHBondContact O-N 3Å; E246-K250 WeakPolarHBondContact OE1-CE 3.23Å; E246-K250 IonicContact OE1-NZ 3.43Å; E246-K250 PolarHBondContact OE1-NZ 3.41Å |
| 247 | I | 98.2 | Very high | 98 | Very high | 93 Ų | 93 | 103 Ų | 103 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.9 | -68.7 | 169 | 0 | 0 | 0 | 110.6 | Q243 Q249 K250 I251 | Q243-I247 WeakPolarHBondContact O-CG1 3.5Å; Q243-I247 PolarHBondContact O-N 2.95Å; I247-Q249 VanDerWaalsContact C-N 3.31Å; I247-Q249 PolarHBondContact O-N 3.45Å; I247-K250 PolarHBondContact O-N 2.85Å; I247-I251 HydrophobicContact CG2-CD1 3.9Å; I247-I251 HydrophobicContact CG2-CG1 4.47Å; I247-I251 VanDerWaalsContact O-CG1 3.32Å; I247-I251 WeakPolarHBondContact O-CG1 3.35Å; I247-I251 PolarHBondContact O-N 2.9Å |
| 248 | R | 98.1 | Very high | 98.1 | Very high | 180 Ų | 180 | 103.3 Ų | 103.3 | 68% | 0.679 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -42.7 | 175.5 | -76.5 | 174.3 | 178.5 | -161 | 0.8 | 111.6 | L244 Q245 E246 I251 T252 | L244-R248 WeakPolarHBondContact O-CB 3.43Å; L244-R248 VanDerWaalsContact O-CG 3.23Å; L244-R248 WeakPolarHBondContact O-CG 3.4Å; L244-R248 PolarHBondContact O-N 3.16Å; Q245-R248 PolarHBondContact O-N 3.39Å; E246-R248 PolarHBondContact O-N 2.98Å; R248-I251 PolarHBondContact O-N 2.86Å; R248-T252 WeakPolarHBondContact O-CG2 3.31Å; R248-T252 PolarHBondContact O-N 2.99Å; R248-T252 PolarHBondContact O-OG1 2.72Å |
| 249 | Q | 98.2 | Very high | 98.1 | Very high | 102 Ų | 102 | 102.5 Ų | 102.5 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -41.5 | 176.7 | 180 | 56.4 | 34.1 | 0 | 0 | 112 | Q245 E246 I247 I251 T252 E253 | Q245-Q249 WeakPolarHBondContact O-CB 3.36Å; Q245-Q249 PolarHBondContact O-N 3.23Å; E246-Q249 PolarHBondContact O-N 3.43Å; I247-Q249 VanDerWaalsContact C-N 3.31Å; I247-Q249 PolarHBondContact O-N 3.45Å; Q249-I251 VanDerWaalsContact C-N 3.32Å; Q249-I251 PolarHBondContact O-N 3.13Å; Q249-T252 WeakPolarHBondContact CA-OG1 3.48Å; Q249-T252 PolarHBondContact O-N 3.48Å; Q249-T252 PolarHBondContact O-OG1 3.34Å; Q249-E253 WeakPolarHBondContact CG-OE1 3.45Å; Q249-E253 PolarHBondContact NE2-OE1 2.78Å; Q249-E253 VanDerWaalsContact O-CG 3.31Å; Q249-E253 WeakPolarHBondContact O-CG 3.45Å; Q249-E253 PolarHBondContact O-N 2.83Å |
| 250 | K | 98.4 | Very high | 98.1 | Very high | 105 Ų | 105 | 102.5 Ų | 102.5 | 46% | 0.457 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 174.1 | -72.2 | 174.7 | -176.8 | 169.3 | 0 | 112.2 | E246 I247 E253 C254 | E246-K250 WeakPolarHBondContact O-CG 3.25Å; E246-K250 PolarHBondContact O-N 3Å; E246-K250 WeakPolarHBondContact OE1-CE 3.23Å; E246-K250 IonicContact OE1-NZ 3.43Å; E246-K250 PolarHBondContact OE1-NZ 3.41Å; I247-K250 PolarHBondContact O-N 2.85Å; K250-E253 PolarHBondContact O-N 2.62Å; K250-C254 WeakPolarHBondContact O-CB 3.26Å; K250-C254 PolarHBondContact O-N 2.96Å; K250-C254 PolarHBondContact O-SG 3.3Å; K250-C254 VanDerWaalsContact O-SG 3.4Å |
| 251 | I | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 104.4 Ų | 104.4 | 45% | 0.446 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -47.6 | 176 | -69.5 | 166.2 | 0 | 0 | 0 | 110.4 | I247 R248 Q249 E253 C254 E255 | I247-I251 HydrophobicContact CG2-CD1 3.9Å; I247-I251 HydrophobicContact CG2-CG1 4.47Å; I247-I251 VanDerWaalsContact O-CG1 3.32Å; I247-I251 WeakPolarHBondContact O-CG1 3.35Å; I247-I251 PolarHBondContact O-N 2.9Å; R248-I251 PolarHBondContact O-N 2.86Å; Q249-I251 VanDerWaalsContact C-N 3.32Å; Q249-I251 PolarHBondContact O-N 3.13Å; I251-E253 VanDerWaalsContact C-N 3.3Å; I251-E253 PolarHBondContact O-N 3.38Å; I251-C254 WeakPolarHBondContact O-CB 3.45Å; I251-C254 PolarHBondContact O-N 3.25Å; I251-C254 VanDerWaalsContact O-N 3.16Å; I251-E255 HydrophobicContact CG2-CG 4.35Å; I251-E255 WeakPolarHBondContact O-CG 3.3Å; I251-E255 PolarHBondContact O-N 2.95Å |
| 252 | T | 98.2 | Very high | 98.2 | Very high | 55 Ų | 55 | 102.8 Ų | 102.8 | 34% | 0.337 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.9 | -36.1 | 179 | 57.7 | 0 | 0 | 0 | 0 | 112 | R248 Q249 E255 N256 | R248-T252 WeakPolarHBondContact O-CG2 3.31Å; R248-T252 PolarHBondContact O-N 2.99Å; R248-T252 PolarHBondContact O-OG1 2.72Å; Q249-T252 WeakPolarHBondContact CA-OG1 3.48Å; Q249-T252 PolarHBondContact O-N 3.48Å; Q249-T252 PolarHBondContact O-OG1 3.34Å; T252-E255 PolarHBondContact O-N 3.42Å; T252-N256 WeakPolarHBondContact O-CB 3.46Å; T252-N256 PolarHBondContact O-N 2.92Å; T252-N256 PolarHBondContact O-ND2 2.74Å |
| 253 | E | 98.5 | Very high | 98.2 | Very high | 81 Ų | 81 | 101.1 Ų | 101.1 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 171.7 | -74.4 | 170.4 | -158.6 | 0 | 0 | 112.6 | Q249 K250 I251 N256 K257 | Q249-E253 WeakPolarHBondContact CG-OE1 3.45Å; Q249-E253 PolarHBondContact NE2-OE1 2.78Å; Q249-E253 VanDerWaalsContact O-CG 3.31Å; Q249-E253 WeakPolarHBondContact O-CG 3.45Å; Q249-E253 PolarHBondContact O-N 2.83Å; K250-E253 PolarHBondContact O-N 2.62Å; I251-E253 VanDerWaalsContact C-N 3.3Å; I251-E253 PolarHBondContact O-N 3.38Å; E253-N256 PolarHBondContact O-N 2.99Å; E253-K257 VanDerWaalsContact O-CG 3.31Å; E253-K257 WeakPolarHBondContact O-CG 3.4Å; E253-K257 PolarHBondContact O-N 3.43Å |
| 254 | C | 98.2 | Very high | 98.2 | Very high | 81 Ų | 81 | 101 Ų | 101 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.1 | -77.4 | 0 | 0 | 0 | 0 | 111.9 | K250 I251 N256 K257 L258 | K250-C254 WeakPolarHBondContact O-CB 3.26Å; K250-C254 PolarHBondContact O-N 2.96Å; K250-C254 PolarHBondContact O-SG 3.3Å; K250-C254 VanDerWaalsContact O-SG 3.4Å; I251-C254 WeakPolarHBondContact O-CB 3.45Å; I251-C254 PolarHBondContact O-N 3.25Å; I251-C254 VanDerWaalsContact O-N 3.16Å; C254-N256 VanDerWaalsContact C-N 3.35Å; C254-K257 PolarHBondContact O-N 2.9Å; C254-L258 WeakPolarHBondContact O-CB 3.43Å; C254-L258 PolarHBondContact O-N 3.5Å |
| 255 | E | 98.2 | Very high | 98.2 | Very high | 97 Ų | 97 | 99.7 Ų | 99.7 | 45% | 0.453 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 175.6 | -74.6 | 177.3 | 179.8 | 0 | 0 | 111.9 | I251 T252 L258 K259 | I251-E255 HydrophobicContact CG2-CG 4.35Å; I251-E255 WeakPolarHBondContact O-CG 3.3Å; I251-E255 PolarHBondContact O-N 2.95Å; T252-E255 PolarHBondContact O-N 3.42Å; E255-L258 PolarHBondContact O-N 3.26Å; E255-K259 VanDerWaalsContact O-CG 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 2.88Å |
| 256 | N | 98 | Very high | 98.2 | Very high | 82 Ų | 82 | 101.4 Ų | 101.4 | 44% | 0.439 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67 | -46.4 | 177.1 | -70 | -23.1 | 0 | 0 | 0 | 111.5 | T252 E253 C254 L258 K259 D260 | T252-N256 WeakPolarHBondContact O-CB 3.46Å; T252-N256 PolarHBondContact O-N 2.92Å; T252-N256 PolarHBondContact O-ND2 2.74Å; E253-N256 PolarHBondContact O-N 2.99Å; C254-N256 VanDerWaalsContact C-N 3.35Å; N256-L258 VanDerWaalsContact C-N 3.26Å; N256-L258 PolarHBondContact O-N 3.44Å; N256-K259 WeakPolarHBondContact O-CB 3.03Å; N256-K259 PolarHBondContact O-N 3.08Å; N256-K259 VanDerWaalsContact O-N 3.07Å; N256-D260 VanDerWaalsContact O-CG 3.27Å; N256-D260 PolarHBondContact O-N 3.25Å |
| 257 | K | 98.6 | Very high | 98.2 | Very high | 110 Ų | 110 | 100.9 Ų | 100.9 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.5 | -40.3 | 174.2 | -72 | 170 | -176.2 | 169.3 | 0 | 111.9 | E253 C254 D260 Y261 | E253-K257 VanDerWaalsContact O-CG 3.31Å; E253-K257 WeakPolarHBondContact O-CG 3.4Å; E253-K257 PolarHBondContact O-N 3.43Å; C254-K257 PolarHBondContact O-N 2.9Å; K257-D260 PolarHBondContact O-N 3.14Å; K257-Y261 HydrophobicContact CB-CE2 4.34Å; K257-Y261 WeakPolarHBondContact O-CD2 3.37Å; K257-Y261 PolarHBondContact O-N 3.49Å |
| 258 | L | 97.9 | Very high | 98.1 | Very high | 107 Ų | 107 | 101.2 Ų | 101.2 | 56% | 0.56 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -65 | -41.6 | 176.5 | -173.8 | 65 | 0 | 0 | 0 | 111.6 | C254 E255 N256 D260 Y261 L262 | C254-L258 WeakPolarHBondContact O-CB 3.43Å; C254-L258 PolarHBondContact O-N 3.5Å; E255-L258 PolarHBondContact O-N 3.26Å; N256-L258 VanDerWaalsContact C-N 3.26Å; N256-L258 PolarHBondContact O-N 3.44Å; L258-D260 VanDerWaalsContact C-N 3.32Å; L258-Y261 PolarHBondContact O-N 2.89Å; L258-L262 HydrophobicContact CG-CD1 4.33Å; L258-L262 WeakPolarHBondContact O-CB 3.47Å; L258-L262 VanDerWaalsContact O-CG 3.25Å; L258-L262 WeakPolarHBondContact O-CG 3.42Å; L258-L262 PolarHBondContact O-N 3.48Å |
| 259 | K | 98.4 | Very high | 98.1 | Very high | 120 Ų | 120 | 97.6 Ų | 97.6 | 52% | 0.522 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 173.6 | -71.1 | 167.9 | -171 | 164.8 | 0 | 111.6 | E255 N256 L262 A263 | E255-K259 VanDerWaalsContact O-CG 3.31Å; E255-K259 WeakPolarHBondContact O-CG 3.36Å; E255-K259 PolarHBondContact O-N 2.88Å; N256-K259 WeakPolarHBondContact O-CB 3.03Å; N256-K259 PolarHBondContact O-N 3.08Å; N256-K259 VanDerWaalsContact O-N 3.07Å; K259-L262 PolarHBondContact O-N 3.5Å; K259-A263 WeakPolarHBondContact O-CB 2.94Å; K259-A263 PolarHBondContact O-N 2.87Å |
| 260 | D | 98.5 | Very high | 97.9 | Very high | 107 Ų | 107 | 96 Ų | 96 | 57% | 0.572 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.7 | -45.9 | 177.1 | -64.2 | -24.9 | 0 | 0 | 0 | 111.3 | N256 K257 L258 L262 A263 Q264 | N256-D260 VanDerWaalsContact O-CG 3.27Å; N256-D260 PolarHBondContact O-N 3.25Å; K257-D260 PolarHBondContact O-N 3.14Å; L258-D260 VanDerWaalsContact C-N 3.32Å; D260-L262 VanDerWaalsContact C-N 3.34Å; D260-L262 PolarHBondContact O-N 2.92Å; D260-A263 PolarHBondContact O-N 3.15Å; D260-Q264 WeakPolarHBondContact O-CB 3.45Å; D260-Q264 PolarHBondContact O-N 2.87Å |
| 261 | Y | 98 | Very high | 97.9 | Very high | 142 Ų | 142 | 92.8 Ų | 92.8 | 56% | 0.557 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.3 | -39.9 | 174.6 | -68.8 | -47.6 | 0 | 0 | 0 | 112.2 | K257 L258 Q264 I265 | K257-Y261 HydrophobicContact CB-CE2 4.34Å; K257-Y261 WeakPolarHBondContact O-CD2 3.37Å; K257-Y261 PolarHBondContact O-N 3.49Å; L258-Y261 PolarHBondContact O-N 2.89Å; Y261-Q264 PolarHBondContact O-N 3.3Å; Y261-I265 VanDerWaalsContact O-CG1 3.25Å; Y261-I265 WeakPolarHBondContact O-CG1 3.34Å; Y261-I265 PolarHBondContact O-N 3.3Å |
| 262 | L | 98.4 | Very high | 97.7 | Very high | 81 Ų | 81 | 94 Ų | 94 | 42% | 0.424 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 174.7 | -74.3 | 171.2 | 0 | 0 | 0 | 112 | L258 K259 D260 I265 R266 | L258-L262 HydrophobicContact CG-CD1 4.33Å; L258-L262 WeakPolarHBondContact O-CB 3.47Å; L258-L262 VanDerWaalsContact O-CG 3.25Å; L258-L262 WeakPolarHBondContact O-CG 3.42Å; L258-L262 PolarHBondContact O-N 3.48Å; K259-L262 PolarHBondContact O-N 3.5Å; D260-L262 VanDerWaalsContact C-N 3.34Å; D260-L262 PolarHBondContact O-N 2.92Å; L262-I265 PolarHBondContact O-N 3.08Å; L262-R266 VanDerWaalsContact O-CG 3.3Å; L262-R266 WeakPolarHBondContact O-CG 3.48Å; L262-R266 PolarHBondContact O-N 3.5Å |
| 263 | A | 97.7 | Very high | 97.6 | Very high | 50 Ų | 50 | 97.9 Ų | 97.9 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K259 D260 I265 R266 T267 | K259-A263 WeakPolarHBondContact O-CB 2.94Å; K259-A263 PolarHBondContact O-N 2.87Å; D260-A263 PolarHBondContact O-N 3.15Å; A263-I265 PolarHBondContact O-N 3.1Å; A263-R266 PolarHBondContact O-N 3.41Å; A263-T267 WeakPolarHBondContact O-CG2 3.44Å; A263-T267 PolarHBondContact O-N 3.24Å; A263-T267 PolarHBondContact O-OG1 3.24Å |
| 264 | Q | 98.6 | Very high | 97.5 | Very high | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.2 | -170.3 | 177.6 | 34.2 | 0 | 0 | 111.5 | D260 Y261 R266 T267 M268 | D260-Q264 WeakPolarHBondContact O-CB 3.45Å; D260-Q264 PolarHBondContact O-N 2.87Å; Y261-Q264 PolarHBondContact O-N 3.3Å; Q264-R266 PolarHBondContact O-N 2.88Å; Q264-T267 WeakPolarHBondContact CA-OG1 3.48Å; Q264-T267 PolarHBondContact O-N 3.33Å; Q264-T267 PolarHBondContact O-OG1 2.85Å; Q264-M268 HydrophobicContact CG-CE 4.18Å; Q264-M268 WeakPolarHBondContact O-CG 3.45Å; Q264-M268 PolarHBondContact O-N 2.89Å |
| 265 | I | 97.6 | Very high | 97.3 | Very high | 73 Ų | 73 | 97.4 Ų | 97.4 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58 | -48.3 | 175.7 | -70.2 | 164 | 0 | 0 | 0 | 110.3 | Y261 L262 A263 T267 M268 E269 | Y261-I265 VanDerWaalsContact O-CG1 3.25Å; Y261-I265 WeakPolarHBondContact O-CG1 3.34Å; Y261-I265 PolarHBondContact O-N 3.3Å; L262-I265 PolarHBondContact O-N 3.08Å; A263-I265 PolarHBondContact O-N 3.1Å; I265-T267 VanDerWaalsContact C-N 3.3Å; I265-T267 PolarHBondContact O-N 2.83Å; I265-M268 HydrophobicContact CG1-CE 4.11Å; I265-M268 PolarHBondContact O-N 3.16Å; I265-M268 VanDerWaalsContact O-N 3.08Å; I265-E269 HydrophobicContact CG2-CG 4.13Å; I265-E269 WeakPolarHBondContact CG2-OE1 3.5Å; I265-E269 WeakPolarHBondContact O-CB 3.48Å; I265-E269 WeakPolarHBondContact O-CG 3.27Å; I265-E269 PolarHBondContact O-N 3.41Å |
| 266 | R | 98.2 | Very high | 97.2 | Very high | 171 Ų | 171 | 98.7 Ų | 98.7 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.6 | -38.1 | 177.7 | -72.7 | 172.6 | -176.9 | 173 | 1.7 | 113.1 | L262 A263 Q264 S270 | L262-R266 VanDerWaalsContact O-CG 3.3Å; L262-R266 WeakPolarHBondContact O-CG 3.48Å; L262-R266 PolarHBondContact O-N 3.5Å; A263-R266 PolarHBondContact O-N 3.41Å; Q264-R266 PolarHBondContact O-N 2.88Å; R266-S270 PolarHBondContact O-N 2.9Å; R266-S270 PolarHBondContact O-OG 2.91Å |
| 267 | T | 97.7 | Very high | 97.1 | Very high | 89 Ų | 89 | 99.9 Ų | 99.9 | 55% | 0.546 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.4 | -35 | 175.9 | 58.2 | 0 | 0 | 0 | 0 | 112.7 | A263 Q264 I265 S270 G271 | A263-T267 WeakPolarHBondContact O-CG2 3.44Å; A263-T267 PolarHBondContact O-N 3.24Å; A263-T267 PolarHBondContact O-OG1 3.24Å; Q264-T267 WeakPolarHBondContact CA-OG1 3.48Å; Q264-T267 PolarHBondContact O-N 3.33Å; Q264-T267 PolarHBondContact O-OG1 2.85Å; I265-T267 VanDerWaalsContact C-N 3.3Å; I265-T267 PolarHBondContact O-N 2.83Å; T267-S270 PolarHBondContact O-OG 3.39Å; T267-S270 VanDerWaalsContact O-OG 3.1Å; T267-G271 PolarHBondContact O-N 3.17Å |
| 268 | M | 97.1 | Very high | 96.9 | Very high | 100 Ų | 100 | 101.2 Ų | 101.2 | 49% | 0.493 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71.1 | -41.3 | 174.3 | -68.1 | -175.2 | -63.3 | 0 | 0 | 111.3 | Q264 I265 G271 L272 | Q264-M268 HydrophobicContact CG-CE 4.18Å; Q264-M268 WeakPolarHBondContact O-CG 3.45Å; Q264-M268 PolarHBondContact O-N 2.89Å; I265-M268 HydrophobicContact CG1-CE 4.11Å; I265-M268 PolarHBondContact O-N 3.16Å; I265-M268 VanDerWaalsContact O-N 3.08Å; M268-G271 PolarHBondContact O-N 2.9Å; M268-L272 WeakPolarHBondContact O-CB 3.11Å; M268-L272 VanDerWaalsContact O-CG 3.29Å; M268-L272 WeakPolarHBondContact O-CG 3.4Å; M268-L272 PolarHBondContact O-N 3.03Å |
| 269 | E | 96.5 | Very high | 96.7 | Very high | 105 Ų | 105 | 101.2 Ų | 101.2 | 49% | 0.491 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 176.5 | -73.4 | 172.6 | 162.5 | 0 | 0 | 111 | I265 G271 L272 E273 | I265-E269 HydrophobicContact CG2-CG 4.13Å; I265-E269 WeakPolarHBondContact CG2-OE1 3.5Å; I265-E269 WeakPolarHBondContact O-CB 3.48Å; I265-E269 WeakPolarHBondContact O-CG 3.27Å; I265-E269 PolarHBondContact O-N 3.41Å; E269-G271 VanDerWaalsContact C-N 3.33Å; E269-G271 PolarHBondContact O-N 3.4Å; E269-L272 PolarHBondContact O-N 2.61Å; E269-E273 WeakPolarHBondContact O-CB 3.4Å; E269-E273 WeakPolarHBondContact O-CG 3.36Å; E269-E273 PolarHBondContact O-N 3.23Å |
| 270 | S | 95.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 100 Ų | 100 | 47% | 0.469 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.7 | -35.5 | 176.6 | 66.4 | 0 | 0 | 0 | 0 | 112.9 | R266 T267 A274 | R266-S270 PolarHBondContact O-N 2.9Å; R266-S270 PolarHBondContact O-OG 2.91Å; T267-S270 PolarHBondContact O-OG 3.39Å; T267-S270 VanDerWaalsContact O-OG 3.1Å; S270-A274 WeakPolarHBondContact O-CB 3.38Å; S270-A274 PolarHBondContact O-N 2.96Å |
| 271 | G | 97.2 | Very high | 96.2 | Very high | 39 Ų | 39 | 99 Ų | 99 | 40% | 0.402 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.2 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | T267 M268 E269 A274 E275 | T267-G271 PolarHBondContact O-N 3.17Å; M268-G271 PolarHBondContact O-N 2.9Å; E269-G271 VanDerWaalsContact C-N 3.33Å; E269-G271 PolarHBondContact O-N 3.4Å; G271-A274 PolarHBondContact O-N 3.05Å; G271-E275 WeakPolarHBondContact O-CB 3.43Å; G271-E275 PolarHBondContact O-N 2.82Å |
| 272 | L | 95.2 | Very high | 95.9 | Very high | 112 Ų | 112 | 98 Ų | 98 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67 | -37.9 | 177.5 | -73 | 173.2 | 0 | 0 | 0 | 112.2 | M268 E269 E275 K276 | M268-L272 WeakPolarHBondContact O-CB 3.11Å; M268-L272 VanDerWaalsContact O-CG 3.29Å; M268-L272 WeakPolarHBondContact O-CG 3.4Å; M268-L272 PolarHBondContact O-N 3.03Å; E269-L272 PolarHBondContact O-N 2.61Å; L272-E275 PolarHBondContact O-N 3.45Å; L272-K276 VanDerWaalsContact O-CB 3.24Å; L272-K276 WeakPolarHBondContact O-CB 3.38Å; L272-K276 PolarHBondContact O-N 2.88Å |
| 273 | E | 96.5 | Very high | 95.5 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 174.2 | -76.1 | 175.4 | -177 | 0 | 0 | 111.6 | E269 K276 L277 | E269-E273 WeakPolarHBondContact O-CB 3.4Å; E269-E273 WeakPolarHBondContact O-CG 3.36Å; E269-E273 PolarHBondContact O-N 3.23Å; E273-K276 PolarHBondContact O-N 3.28Å; E273-L277 PolarHBondContact O-N 3.31Å |
| 274 | A | 95.3 | Very high | 95.2 | Very high | 59 Ų | 59 | 99.5 Ų | 99.5 | 49% | 0.488 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S270 G271 K276 L277 Q278 | S270-A274 WeakPolarHBondContact O-CB 3.38Å; S270-A274 PolarHBondContact O-N 2.96Å; G271-A274 PolarHBondContact O-N 3.05Å; A274-K276 VanDerWaalsContact C-N 3.35Å; A274-L277 PolarHBondContact O-N 2.91Å; A274-Q278 WeakPolarHBondContact O-CB 3.41Å; A274-Q278 PolarHBondContact O-N 3.48Å |
| 275 | E | 94.8 | Very high | 94.8 | Very high | 93 Ų | 93 | 100.2 Ų | 100.2 | 44% | 0.435 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.4 | -39.3 | 176.3 | -169.7 | -169.5 | 145.3 | 0 | 0 | 111.7 | G271 L272 Q278 R279 | G271-E275 WeakPolarHBondContact O-CB 3.43Å; G271-E275 PolarHBondContact O-N 2.82Å; L272-E275 PolarHBondContact O-N 3.45Å; E275-Q278 PolarHBondContact O-N 3.39Å; E275-R279 WeakPolarHBondContact O-CB 3.41Å; E275-R279 PolarHBondContact O-N 3.5Å; E275-R279 IonicContact OE1-CZ 3.59Å; E275-R279 IonicContact OE1-NH1 2.67Å; E275-R279 IonicContact OE1-NH2 3.69Å; E275-R279 PolarHBondContact OE1-NH2 3.47Å |
| 276 | K | 94.8 | Very high | 94.4 | Very high | 123 Ų | 123 | 100.9 Ų | 100.9 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 175.7 | -176.3 | -177 | 172.3 | -167 | 0 | 111.2 | L272 E273 A274 Q278 R279 E280 | L272-K276 VanDerWaalsContact O-CB 3.24Å; L272-K276 WeakPolarHBondContact O-CB 3.38Å; L272-K276 PolarHBondContact O-N 2.88Å; E273-K276 PolarHBondContact O-N 3.28Å; A274-K276 VanDerWaalsContact C-N 3.35Å; K276-Q278 VanDerWaalsContact C-N 3.32Å; K276-Q278 PolarHBondContact O-N 2.95Å; K276-R279 PolarHBondContact O-N 3.38Å; K276-E280 WeakPolarHBondContact CE-OE1 3.38Å; K276-E280 IonicContact NZ-OE1 3.92Å; K276-E280 WeakPolarHBondContact O-CG 3.48Å; K276-E280 PolarHBondContact O-N 3.25Å |
| 277 | L | 95.7 | Very high | 93.9 | Very high | 108 Ų | 108 | 97 Ų | 97 | 57% | 0.565 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -41.7 | 177.5 | -176.6 | 65.6 | 0 | 0 | 0 | 111.3 | E273 A274 R279 E280 V281 | E273-L277 PolarHBondContact O-N 3.31Å; A274-L277 PolarHBondContact O-N 2.91Å; L277-R279 VanDerWaalsContact C-N 3.35Å; L277-R279 PolarHBondContact O-N 2.98Å; L277-E280 PolarHBondContact O-N 3.19Å; L277-V281 VanDerWaalsContact O-CG2 3.28Å; L277-V281 WeakPolarHBondContact O-CG2 3.38Å; L277-V281 PolarHBondContact O-N 3.39Å |
| 278 | Q | 94.8 | Very high | 93.6 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 64% | 0.64 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.9 | -42.8 | 175.8 | -176.7 | 176.2 | 6.3 | 0 | 0 | 111.9 | A274 E275 K276 V281 Q282 | A274-Q278 WeakPolarHBondContact O-CB 3.41Å; A274-Q278 PolarHBondContact O-N 3.48Å; E275-Q278 PolarHBondContact O-N 3.39Å; K276-Q278 VanDerWaalsContact C-N 3.32Å; K276-Q278 PolarHBondContact O-N 2.95Å; Q278-V281 PolarHBondContact O-N 3.34Å; Q278-Q282 WeakPolarHBondContact O-CB 3.49Å; Q278-Q282 PolarHBondContact O-N 2.77Å |
| 279 | R | 93.3 | Very high | 93.2 | Very high | 107 Ų | 107 | 99.4 Ų | 99.4 | 40% | 0.404 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64 | -44 | 175.7 | -174.3 | -174.2 | -67.1 | 95.1 | -0.5 | 111.5 | E275 K276 L277 V281 Q282 E283 | E275-R279 WeakPolarHBondContact O-CB 3.41Å; E275-R279 PolarHBondContact O-N 3.5Å; E275-R279 IonicContact OE1-CZ 3.59Å; E275-R279 IonicContact OE1-NH1 2.67Å; E275-R279 IonicContact OE1-NH2 3.69Å; E275-R279 PolarHBondContact OE1-NH2 3.47Å; K276-R279 PolarHBondContact O-N 3.38Å; L277-R279 VanDerWaalsContact C-N 3.35Å; L277-R279 PolarHBondContact O-N 2.98Å; R279-V281 VanDerWaalsContact C-N 3.32Å; R279-V281 PolarHBondContact O-N 2.92Å; R279-Q282 PolarHBondContact O-N 2.92Å; R279-E283 WeakPolarHBondContact CD-OE1 3.41Å; R279-E283 HydrophobicContact CG-CG 4.26Å; R279-E283 WeakPolarHBondContact CG-OE1 3.38Å; R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 VanDerWaalsContact O-CG 3.31Å; R279-E283 WeakPolarHBondContact O-CG 3.27Å; R279-E283 PolarHBondContact O-N 3.06Å |
| 280 | E | 93.5 | Very high | 93 | Very high | 96 Ų | 96 | 99 Ų | 99 | 45% | 0.449 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.3 | -40.5 | 176.3 | -74.8 | 177.7 | -179.1 | 0 | 0 | 111.7 | K276 L277 A284 | K276-E280 WeakPolarHBondContact CE-OE1 3.38Å; K276-E280 IonicContact NZ-OE1 3.92Å; K276-E280 WeakPolarHBondContact O-CG 3.48Å; K276-E280 PolarHBondContact O-N 3.25Å; L277-E280 PolarHBondContact O-N 3.19Å; E280-A284 WeakPolarHBondContact O-CB 3.49Å; E280-A284 PolarHBondContact O-N 2.89Å |
| 281 | V | 94.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 99.5 Ų | 99.5 | 52% | 0.515 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 174.3 | 171.2 | 0 | 0 | 0 | 0 | 111.3 | L277 Q278 R279 A284 Q285 | L277-V281 VanDerWaalsContact O-CG2 3.28Å; L277-V281 WeakPolarHBondContact O-CG2 3.38Å; L277-V281 PolarHBondContact O-N 3.39Å; Q278-V281 PolarHBondContact O-N 3.34Å; R279-V281 VanDerWaalsContact C-N 3.32Å; R279-V281 PolarHBondContact O-N 2.92Å; V281-A284 PolarHBondContact O-N 3.18Å; V281-Q285 WeakPolarHBondContact O-CB 3.29Å; V281-Q285 PolarHBondContact O-N 3.4Å |
| 282 | Q | 91.7 | Very high | 92.6 | Very high | 121 Ų | 121 | 103.6 Ų | 103.6 | 57% | 0.565 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -66.5 | -43 | 178.9 | -171.8 | 173.3 | 27.4 | 0 | 0 | 111.8 | Q278 R279 Q285 V286 | Q278-Q282 WeakPolarHBondContact O-CB 3.49Å; Q278-Q282 PolarHBondContact O-N 2.77Å; R279-Q282 PolarHBondContact O-N 2.92Å; Q282-Q285 PolarHBondContact O-N 2.96Å; Q282-V286 VanDerWaalsContact O-CG2 3.31Å; Q282-V286 WeakPolarHBondContact O-CG2 3.45Å; Q282-V286 PolarHBondContact O-N 3.33Å |
| 283 | E | 89.9 | Confident | 92.5 | Very high | 107 Ų | 107 | 100.1 Ų | 100.1 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.9 | -42.5 | 174.9 | -74.8 | 177.3 | -172.9 | 0 | 0 | 111.1 | R279 Q285 V286 N287 | R279-E283 WeakPolarHBondContact CD-OE1 3.41Å; R279-E283 HydrophobicContact CG-CG 4.26Å; R279-E283 WeakPolarHBondContact CG-OE1 3.38Å; R279-E283 WeakPolarHBondContact O-CB 3.39Å; R279-E283 VanDerWaalsContact O-CG 3.31Å; R279-E283 WeakPolarHBondContact O-CG 3.27Å; R279-E283 PolarHBondContact O-N 3.06Å; E283-Q285 VanDerWaalsContact C-N 3.34Å; E283-Q285 PolarHBondContact O-N 3.17Å; E283-V286 PolarHBondContact O-N 2.82Å; E283-N287 VanDerWaalsContact O-CB 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.46Å; E283-N287 PolarHBondContact O-N 3.05Å; E283-N287 PolarHBondContact O-ND2 3.45Å; E283-N287 VanDerWaalsContact O-ND2 3.12Å |
| 284 | A | 90.9 | Very high | 92.3 | Very high | 56 Ų | 56 | 98.9 Ų | 98.9 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.8 | E280 V281 N287 E288 | E280-A284 WeakPolarHBondContact O-CB 3.49Å; E280-A284 PolarHBondContact O-N 2.89Å; V281-A284 PolarHBondContact O-N 3.18Å; A284-N287 PolarHBondContact O-N 3.01Å; A284-E288 WeakPolarHBondContact O-CB 3.49Å; A284-E288 PolarHBondContact O-N 2.91Å |
| 285 | Q | 90 | Very high | 92.3 | Very high | 119 Ų | 119 | 100 Ų | 100 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.4 | -41.6 | 177.5 | -171.4 | 174.1 | 7.9 | 0 | 0 | 112.3 | V281 Q282 E283 E288 E289 | V281-Q285 WeakPolarHBondContact O-CB 3.29Å; V281-Q285 PolarHBondContact O-N 3.4Å; Q282-Q285 PolarHBondContact O-N 2.96Å; E283-Q285 VanDerWaalsContact C-N 3.34Å; E283-Q285 PolarHBondContact O-N 3.17Å; Q285-E288 PolarHBondContact O-N 2.89Å; Q285-E289 WeakPolarHBondContact O-CB 3.32Å; Q285-E289 WeakPolarHBondContact O-CG 3.33Å; Q285-E289 PolarHBondContact O-N 2.99Å |
| 286 | V | 89.3 | Confident | 92.3 | Very high | 88 Ų | 88 | 97.7 Ų | 97.7 | 53% | 0.533 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 175.1 | 171 | 0 | 0 | 0 | 0 | 110.8 | Q282 E283 E288 E289 E290 | Q282-V286 VanDerWaalsContact O-CG2 3.31Å; Q282-V286 WeakPolarHBondContact O-CG2 3.45Å; Q282-V286 PolarHBondContact O-N 3.33Å; E283-V286 PolarHBondContact O-N 2.82Å; V286-E288 VanDerWaalsContact C-N 3.33Å; V286-E288 PolarHBondContact O-N 2.82Å; V286-E289 PolarHBondContact O-N 3.17Å; V286-E290 WeakPolarHBondContact O-CB 3.36Å; V286-E290 PolarHBondContact O-N 3.33Å |
| 287 | N | 89.3 | Confident | 92.3 | Very high | 90 Ų | 90 | 98.9 Ų | 98.9 | 48% | 0.481 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -40.5 | 176.1 | -72.7 | -28.1 | 0 | 0 | 0 | 111.4 | E283 A284 E290 V291 | E283-N287 VanDerWaalsContact O-CB 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.46Å; E283-N287 PolarHBondContact O-N 3.05Å; E283-N287 PolarHBondContact O-ND2 3.45Å; E283-N287 VanDerWaalsContact O-ND2 3.12Å; A284-N287 PolarHBondContact O-N 3.01Å; N287-E290 PolarHBondContact O-N 3.49Å; N287-V291 WeakPolarHBondContact O-CB 3.45Å; N287-V291 VanDerWaalsContact O-CG2 3.23Å; N287-V291 WeakPolarHBondContact O-CG2 3.5Å; N287-V291 PolarHBondContact O-N 3.35Å |
| 288 | E | 91 | Very high | 92.3 | Very high | 134 Ų | 134 | 97.5 Ų | 97.5 | 63% | 0.626 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.9 | -46.8 | 176.4 | -169.7 | -176.8 | 172.2 | 0 | 0 | 111.4 | A284 Q285 V286 E290 V291 K292 | A284-E288 WeakPolarHBondContact O-CB 3.49Å; A284-E288 PolarHBondContact O-N 2.91Å; Q285-E288 PolarHBondContact O-N 2.89Å; V286-E288 VanDerWaalsContact C-N 3.33Å; V286-E288 PolarHBondContact O-N 2.82Å; E288-E290 PolarHBondContact O-N 3.43Å; E288-V291 PolarHBondContact O-N 2.97Å; E288-K292 WeakPolarHBondContact O-CB 3.35Å; E288-K292 PolarHBondContact O-N 3.36Å |
| 289 | E | 88.2 | Confident | 92.4 | Very high | 104 Ų | 104 | 97.3 Ų | 97.3 | 49% | 0.486 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 175.6 | -75 | -65.3 | 150.5 | 0 | 0 | 112.1 | Q285 V286 K292 G293 | Q285-E289 WeakPolarHBondContact O-CB 3.32Å; Q285-E289 WeakPolarHBondContact O-CG 3.33Å; Q285-E289 PolarHBondContact O-N 2.99Å; V286-E289 PolarHBondContact O-N 3.17Å; E289-K292 PolarHBondContact O-N 3.25Å; E289-K292 IonicContact OE1-NZ 2.64Å; E289-G293 PolarHBondContact O-N 3.28Å |
| 290 | E | 91.8 | Very high | 92.5 | Very high | 96 Ų | 96 | 93.7 Ų | 93.7 | 45% | 0.449 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.9 | -44.6 | 174.8 | -170.3 | -173.4 | 159.4 | 0 | 0 | 111.6 | V286 N287 E288 G293 K294 | V286-E290 WeakPolarHBondContact O-CB 3.36Å; V286-E290 PolarHBondContact O-N 3.33Å; N287-E290 PolarHBondContact O-N 3.49Å; E288-E290 PolarHBondContact O-N 3.43Å; E290-G293 PolarHBondContact O-N 3.01Å; E290-K294 WeakPolarHBondContact O-CG 3.45Å; E290-K294 PolarHBondContact O-N 2.99Å; E290-K294 WeakPolarHBondContact OE1-CE 3.36Å; E290-K294 IonicContact OE1-NZ 2.66Å; E290-K294 PolarHBondContact OE1-NZ 2.98Å |
| 291 | V | 92.4 | Very high | 92.6 | Very high | 79 Ų | 79 | 95.1 Ų | 95.1 | 48% | 0.479 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -45.1 | 176 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | N287 E288 G293 K294 I295 | N287-V291 WeakPolarHBondContact O-CB 3.45Å; N287-V291 VanDerWaalsContact O-CG2 3.23Å; N287-V291 WeakPolarHBondContact O-CG2 3.5Å; N287-V291 PolarHBondContact O-N 3.35Å; E288-V291 PolarHBondContact O-N 2.97Å; V291-G293 VanDerWaalsContact C-N 3.3Å; V291-G293 PolarHBondContact O-N 3.38Å; V291-K294 PolarHBondContact O-N 2.89Å; V291-I295 HydrophobicContact CG1-CD1 3.74Å; V291-I295 HydrophobicContact CG1-CG1 4.36Å; V291-I295 WeakPolarHBondContact O-CB 3.3Å; V291-I295 VanDerWaalsContact O-CG1 3.26Å; V291-I295 WeakPolarHBondContact O-CG1 3.47Å; V291-I295 PolarHBondContact O-N 3.31Å |
| 292 | K | 93.2 | Very high | 92.7 | Very high | 125 Ų | 125 | 95.8 Ų | 95.8 | 54% | 0.543 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -40.4 | 175.6 | -173.4 | -179.6 | 176.9 | -172.2 | 0 | 111.6 | E288 E289 I295 G296 | E288-K292 WeakPolarHBondContact O-CB 3.35Å; E288-K292 PolarHBondContact O-N 3.36Å; E289-K292 PolarHBondContact O-N 3.25Å; E289-K292 IonicContact OE1-NZ 2.64Å; K292-I295 PolarHBondContact O-N 2.91Å; K292-G296 PolarHBondContact O-N 3.08Å |
| 293 | G | 91.9 | Very high | 93 | Very high | 38 Ų | 38 | 95 Ų | 95 | 39% | 0.392 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.5 | -44.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113 | E289 E290 V291 G296 K297 | E289-G293 PolarHBondContact O-N 3.28Å; E290-G293 PolarHBondContact O-N 3.01Å; V291-G293 VanDerWaalsContact C-N 3.3Å; V291-G293 PolarHBondContact O-N 3.38Å; G293-G296 PolarHBondContact O-N 3.43Å; G293-K297 WeakPolarHBondContact O-CG 3.18Å; G293-K297 PolarHBondContact O-N 3.04Å |
| 294 | K | 93.4 | Very high | 93.3 | Very high | 111 Ų | 111 | 94.5 Ų | 94.5 | 48% | 0.483 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 174.6 | -73.8 | 174.3 | -175.9 | 165.5 | 0 | 111.7 | E290 V291 G296 K297 V298 | E290-K294 WeakPolarHBondContact O-CG 3.45Å; E290-K294 PolarHBondContact O-N 2.99Å; E290-K294 WeakPolarHBondContact OE1-CE 3.36Å; E290-K294 IonicContact OE1-NZ 2.66Å; E290-K294 PolarHBondContact OE1-NZ 2.98Å; V291-K294 PolarHBondContact O-N 2.89Å; K294-G296 VanDerWaalsContact C-N 3.28Å; K294-G296 PolarHBondContact O-N 3.37Å; K294-K297 PolarHBondContact O-N 3.46Å; K294-V298 WeakPolarHBondContact O-CG2 3.43Å; K294-V298 PolarHBondContact O-N 3.25Å |
| 295 | I | 94.7 | Very high | 93.5 | Very high | 84 Ų | 84 | 97.6 Ų | 97.6 | 43% | 0.431 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -42.6 | 174.3 | -70.4 | 168.8 | 0 | 0 | 0 | 110.3 | V291 K292 V298 K299 | V291-I295 HydrophobicContact CG1-CD1 3.74Å; V291-I295 HydrophobicContact CG1-CG1 4.36Å; V291-I295 WeakPolarHBondContact O-CB 3.3Å; V291-I295 VanDerWaalsContact O-CG1 3.26Å; V291-I295 WeakPolarHBondContact O-CG1 3.47Å; V291-I295 PolarHBondContact O-N 3.31Å; K292-I295 PolarHBondContact O-N 2.91Å; I295-V298 PolarHBondContact O-N 3.19Å; I295-K299 HydrophobicContact CG2-CD 4.07Å; I295-K299 HydrophobicContact CG2-CG 4.44Å; I295-K299 WeakPolarHBondContact O-CB 3.34Å; I295-K299 VanDerWaalsContact O-CG 3.28Å; I295-K299 WeakPolarHBondContact O-CG 3.42Å; I295-K299 PolarHBondContact O-N 2.8Å |
| 296 | G | 94.4 | Very high | 93.8 | Very high | 43 Ų | 43 | 93.5 Ų | 93.5 | 44% | 0.443 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -43.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K292 G293 K294 K299 G300 | K292-G296 PolarHBondContact O-N 3.08Å; G293-G296 PolarHBondContact O-N 3.43Å; K294-G296 VanDerWaalsContact C-N 3.28Å; K294-G296 PolarHBondContact O-N 3.37Å; G296-K299 PolarHBondContact O-N 3.47Å; G296-G300 PolarHBondContact O-N 2.92Å |
| 297 | K | 95.3 | Very high | 94.1 | Very high | 149 Ų | 149 | 94.5 Ų | 94.5 | 65% | 0.648 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.8 | -49.6 | 176 | -70.6 | 176.8 | -179.3 | -179.5 | 0 | 112.1 | G293 K294 K299 G300 E301 | G293-K297 WeakPolarHBondContact O-CG 3.18Å; G293-K297 PolarHBondContact O-N 3.04Å; K294-K297 PolarHBondContact O-N 3.46Å; K297-K299 VanDerWaalsContact C-N 3.29Å; K297-K299 PolarHBondContact O-N 3.24Å; K297-G300 PolarHBondContact O-N 3.47Å; K297-G300 VanDerWaalsContact O-N 3.14Å; K297-E301 WeakPolarHBondContact O-CG 3.46Å; K297-E301 PolarHBondContact O-N 3.48Å |
| 298 | V | 96.4 | Very high | 94.5 | Very high | 78 Ų | 78 | 95.1 Ų | 95.1 | 47% | 0.473 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61 | -40.4 | 178.9 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | K294 I295 E301 I302 | K294-V298 WeakPolarHBondContact O-CG2 3.43Å; K294-V298 PolarHBondContact O-N 3.25Å; I295-V298 PolarHBondContact O-N 3.19Å; V298-E301 PolarHBondContact O-N 3.2Å; V298-I302 HydrophobicContact CG1-CD1 3.87Å; V298-I302 HydrophobicContact CG1-CG1 4.46Å; V298-I302 VanDerWaalsContact O-CG1 3.27Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.28Å |
| 299 | K | 95.9 | Very high | 94.7 | Very high | 134 Ų | 134 | 91.8 Ų | 91.8 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -60.5 | -46.5 | 174 | -76.9 | 178.6 | 177.7 | -174.9 | 0 | 112.1 | I295 G296 K297 E301 I302 D303 | I295-K299 HydrophobicContact CG2-CD 4.07Å; I295-K299 HydrophobicContact CG2-CG 4.44Å; I295-K299 WeakPolarHBondContact O-CB 3.34Å; I295-K299 VanDerWaalsContact O-CG 3.28Å; I295-K299 WeakPolarHBondContact O-CG 3.42Å; I295-K299 PolarHBondContact O-N 2.8Å; G296-K299 PolarHBondContact O-N 3.47Å; K297-K299 VanDerWaalsContact C-N 3.29Å; K297-K299 PolarHBondContact O-N 3.24Å; K299-E301 PolarHBondContact O-N 2.94Å; K299-I302 PolarHBondContact O-N 3.38Å; K299-D303 PolarHBondContact O-N 2.84Å |
| 300 | G | 95 | Very high | 95.1 | Very high | 30 Ų | 30 | 91.5 Ų | 91.5 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | G296 K297 D303 I304 | G296-G300 PolarHBondContact O-N 2.92Å; K297-G300 PolarHBondContact O-N 3.47Å; K297-G300 VanDerWaalsContact O-N 3.14Å; G300-D303 PolarHBondContact O-N 3.13Å; G300-I304 VanDerWaalsContact O-CG1 3.29Å; G300-I304 WeakPolarHBondContact O-CG1 3.27Å; G300-I304 PolarHBondContact O-N 3.08Å |
| 301 | E | 95.9 | Very high | 95.3 | Very high | 126 Ų | 126 | 95.3 Ų | 95.3 | 59% | 0.589 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 174.6 | -73.6 | 173.4 | -166.4 | 0 | 0 | 111.9 | K297 V298 K299 D303 I304 Q305 | K297-E301 WeakPolarHBondContact O-CG 3.46Å; K297-E301 PolarHBondContact O-N 3.48Å; V298-E301 PolarHBondContact O-N 3.2Å; K299-E301 PolarHBondContact O-N 2.94Å; E301-D303 VanDerWaalsContact C-N 3.35Å; E301-D303 PolarHBondContact O-N 3.1Å; E301-I304 PolarHBondContact O-N 2.96Å; E301-Q305 WeakPolarHBondContact O-CB 3.28Å; E301-Q305 PolarHBondContact O-N 3.11Å |
| 302 | I | 96.8 | Very high | 95.5 | Very high | 99 Ų | 99 | 97.4 Ų | 97.4 | 51% | 0.508 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 175 | -70.3 | 167.2 | 0 | 0 | 0 | 111 | V298 K299 Q305 G306 | V298-I302 HydrophobicContact CG1-CD1 3.87Å; V298-I302 HydrophobicContact CG1-CG1 4.46Å; V298-I302 VanDerWaalsContact O-CG1 3.27Å; V298-I302 WeakPolarHBondContact O-CG1 3.41Å; V298-I302 PolarHBondContact O-N 3.28Å; K299-I302 PolarHBondContact O-N 3.38Å; I302-Q305 PolarHBondContact O-N 3.49Å; I302-G306 PolarHBondContact O-N 2.82Å |
| 303 | D | 96.6 | Very high | 95.7 | Very high | 105 Ų | 105 | 95.5 Ų | 95.5 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.2 | -43.1 | 178.1 | -74.2 | -23 | 0 | 0 | 0 | 111.7 | K299 G300 E301 G306 Q307 | K299-D303 PolarHBondContact O-N 2.84Å; G300-D303 PolarHBondContact O-N 3.13Å; E301-D303 VanDerWaalsContact C-N 3.35Å; E301-D303 PolarHBondContact O-N 3.1Å; D303-G306 PolarHBondContact O-N 3.32Å; D303-Q307 WeakPolarHBondContact O-CG 3.44Å; D303-Q307 PolarHBondContact O-N 3.29Å |
| 304 | I | 96.3 | Very high | 95.9 | Very high | 96 Ų | 96 | 98.3 Ų | 98.3 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -46.4 | 175.4 | -67.9 | 165.3 | 0 | 0 | 0 | 110.3 | G300 E301 G306 Q307 Q308 | G300-I304 VanDerWaalsContact O-CG1 3.29Å; G300-I304 WeakPolarHBondContact O-CG1 3.27Å; G300-I304 PolarHBondContact O-N 3.08Å; E301-I304 PolarHBondContact O-N 2.96Å; I304-G306 VanDerWaalsContact C-N 3.28Å; I304-G306 PolarHBondContact O-N 3.01Å; I304-Q307 PolarHBondContact O-N 2.96Å; I304-Q308 WeakPolarHBondContact O-CG 3.45Å; I304-Q308 PolarHBondContact O-N 3.14Å |
| 305 | Q | 95.8 | Very high | 96.1 | Very high | 121 Ų | 121 | 94.7 Ų | 94.7 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -33.9 | 177.9 | -169.5 | 178.2 | 3.6 | 0 | 0 | 111.8 | E301 I302 Q308 S309 | E301-Q305 WeakPolarHBondContact O-CB 3.28Å; E301-Q305 PolarHBondContact O-N 3.11Å; I302-Q305 PolarHBondContact O-N 3.49Å; Q305-Q308 PolarHBondContact O-N 2.88Å; Q305-S309 WeakPolarHBondContact O-CB 3.23Å; Q305-S309 PolarHBondContact O-N 3.21Å; Q305-S309 PolarHBondContact O-OG 3.48Å |
| 306 | G | 96.5 | Very high | 96.2 | Very high | 33 Ų | 33 | 95.3 Ų | 95.3 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I302 D303 I304 Q308 S309 L310 | I302-G306 PolarHBondContact O-N 2.82Å; D303-G306 PolarHBondContact O-N 3.32Å; I304-G306 VanDerWaalsContact C-N 3.28Å; I304-G306 PolarHBondContact O-N 3.01Å; G306-Q308 PolarHBondContact O-N 2.6Å; G306-S309 PolarHBondContact O-N 3.06Å; G306-L310 WeakPolarHBondContact O-CG 3.37Å; G306-L310 PolarHBondContact O-N 3.03Å |
| 307 | Q | 96.4 | Very high | 96.3 | Very high | 109 Ų | 109 | 97.5 Ų | 97.5 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.4 | -70 | 177.8 | 17.2 | 0 | 0 | 112.5 | D303 I304 R311 | D303-Q307 WeakPolarHBondContact O-CG 3.44Å; D303-Q307 PolarHBondContact O-N 3.29Å; I304-Q307 PolarHBondContact O-N 2.96Å; Q307-R311 WeakPolarHBondContact O-CG 3.46Å; Q307-R311 PolarHBondContact O-N 2.7Å; Q307-R311 VanDerWaalsContact O-N 3.08Å |
| 308 | Q | 96.1 | Very high | 96.4 | Very high | 104 Ų | 104 | 92 Ų | 92 | 49% | 0.486 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 174.5 | -72.3 | 177.3 | -3.3 | 0 | 0 | 111.5 | I304 Q305 G306 L310 R311 L312 | I304-Q308 WeakPolarHBondContact O-CG 3.45Å; I304-Q308 PolarHBondContact O-N 3.14Å; Q305-Q308 PolarHBondContact O-N 2.88Å; G306-Q308 PolarHBondContact O-N 2.6Å; Q308-L310 VanDerWaalsContact C-N 3.34Å; Q308-L310 PolarHBondContact O-N 3.36Å; Q308-R311 WeakPolarHBondContact O-CB 3.18Å; Q308-R311 PolarHBondContact O-N 2.79Å; Q308-R311 VanDerWaalsContact O-N 3.16Å; Q308-L312 WeakPolarHBondContact O-CG 3.36Å; Q308-L312 PolarHBondContact O-N 3.45Å |
| 309 | S | 95.7 | Very high | 96.4 | Very high | 64 Ų | 64 | 93.1 Ų | 93.1 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.3 | -45.3 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | Q305 G306 R311 L312 E313 | Q305-S309 WeakPolarHBondContact O-CB 3.23Å; Q305-S309 PolarHBondContact O-N 3.21Å; Q305-S309 PolarHBondContact O-OG 3.48Å; G306-S309 PolarHBondContact O-N 3.06Å; S309-R311 VanDerWaalsContact C-N 3.33Å; S309-R311 PolarHBondContact O-N 3.43Å; S309-L312 PolarHBondContact O-N 2.93Å; S309-E313 WeakPolarHBondContact O-CB 3.21Å; S309-E313 PolarHBondContact O-N 3.17Å |
| 310 | L | 96.9 | Very high | 96.5 | Very high | 98 Ų | 98 | 92.1 Ų | 92.1 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 175.6 | -76.3 | 167.5 | 0 | 0 | 0 | 112.7 | G306 Q308 N314 | G306-L310 WeakPolarHBondContact O-CG 3.37Å; G306-L310 PolarHBondContact O-N 3.03Å; Q308-L310 VanDerWaalsContact C-N 3.34Å; Q308-L310 PolarHBondContact O-N 3.36Å; L310-N314 WeakPolarHBondContact O-CB 3.35Å; L310-N314 VanDerWaalsContact O-CG 3.27Å; L310-N314 PolarHBondContact O-N 3.34Å; L310-N314 PolarHBondContact O-ND2 3.22Å; L310-N314 VanDerWaalsContact O-ND2 3.13Å |
| 311 | R | 96.6 | Very high | 96.5 | Very high | 176 Ų | 176 | 97.9 Ų | 97.9 | 66% | 0.664 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 175.2 | -74.2 | 176.1 | -178.5 | 152 | 3.9 | 111.8 | Q307 Q308 S309 N314 G315 | Q307-R311 WeakPolarHBondContact O-CG 3.46Å; Q307-R311 PolarHBondContact O-N 2.7Å; Q307-R311 VanDerWaalsContact O-N 3.08Å; Q308-R311 WeakPolarHBondContact O-CB 3.18Å; Q308-R311 PolarHBondContact O-N 2.79Å; Q308-R311 VanDerWaalsContact O-N 3.16Å; S309-R311 VanDerWaalsContact C-N 3.33Å; S309-R311 PolarHBondContact O-N 3.43Å; R311-N314 PolarHBondContact O-N 3.46Å; R311-G315 PolarHBondContact O-N 3.12Å |
| 312 | L | 96.2 | Very high | 96.5 | Very high | 122 Ų | 122 | 95.4 Ų | 95.4 | 64% | 0.639 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 176.9 | -69.5 | 174.2 | 0 | 0 | 0 | 111.3 | Q308 S309 N314 G315 I316 | Q308-L312 WeakPolarHBondContact O-CG 3.36Å; Q308-L312 PolarHBondContact O-N 3.45Å; S309-L312 PolarHBondContact O-N 2.93Å; L312-N314 PolarHBondContact O-N 2.81Å; L312-G315 CarbonylContact O-C 3.6Å; L312-G315 WeakPolarHBondContact O-CA 3.43Å; L312-G315 PolarHBondContact O-N 2.82Å; L312-G315 VanDerWaalsContact O-N 3.1Å; L312-I316 WeakPolarHBondContact O-CG1 3.41Å; L312-I316 PolarHBondContact O-N 2.96Å |
| 313 | E | 97.2 | Very high | 96.5 | Very high | 86 Ų | 86 | 95.8 Ų | 95.8 | 40% | 0.402 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -43.8 | 177.2 | -169.4 | -172 | 161.5 | 0 | 0 | 111.7 | S309 G315 I316 K317 | S309-E313 WeakPolarHBondContact O-CB 3.21Å; S309-E313 PolarHBondContact O-N 3.17Å; E313-G315 VanDerWaalsContact C-N 3.29Å; E313-G315 PolarHBondContact O-N 3.4Å; E313-I316 PolarHBondContact O-N 2.89Å; E313-K317 HydrophobicContact CG-CD 4.49Å; E313-K317 WeakPolarHBondContact O-CB 3.23Å; E313-K317 WeakPolarHBondContact O-CG 3.45Å; E313-K317 PolarHBondContact O-N 3.33Å; E313-K317 VanDerWaalsContact OE1-CE 3.23Å; E313-K317 WeakPolarHBondContact OE1-CE 3.38Å; E313-K317 IonicContact OE1-NZ 3.3Å; E313-K317 PolarHBondContact OE1-NZ 2.81Å |
| 314 | N | 96.5 | Very high | 96.5 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 51% | 0.513 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 173.8 | -72.7 | -31.8 | 0 | 0 | 0 | 112.2 | L310 R311 L312 A318 | L310-N314 WeakPolarHBondContact O-CB 3.35Å; L310-N314 VanDerWaalsContact O-CG 3.27Å; L310-N314 PolarHBondContact O-N 3.34Å; L310-N314 PolarHBondContact O-ND2 3.22Å; L310-N314 VanDerWaalsContact O-ND2 3.13Å; R311-N314 PolarHBondContact O-N 3.46Å; L312-N314 PolarHBondContact O-N 2.81Å; N314-A318 WeakPolarHBondContact O-CB 3.47Å; N314-A318 PolarHBondContact O-N 2.92Å |
| 315 | G | 97.3 | Very high | 96.5 | Very high | 35 Ų | 35 | 93.3 Ų | 93.3 | 36% | 0.361 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | R311 L312 E313 A318 V319 | R311-G315 PolarHBondContact O-N 3.12Å; L312-G315 CarbonylContact O-C 3.6Å; L312-G315 WeakPolarHBondContact O-CA 3.43Å; L312-G315 PolarHBondContact O-N 2.82Å; L312-G315 VanDerWaalsContact O-N 3.1Å; E313-G315 VanDerWaalsContact C-N 3.29Å; E313-G315 PolarHBondContact O-N 3.4Å; G315-A318 WeakPolarHBondContact O-CB 3.29Å; G315-A318 PolarHBondContact O-N 3.47Å; G315-A318 VanDerWaalsContact O-N 3.11Å; G315-V319 WeakPolarHBondContact O-CG2 3.3Å; G315-V319 PolarHBondContact O-N 3.42Å |
| 316 | I | 96.5 | Very high | 96.5 | Very high | 97 Ų | 97 | 89.8 Ų | 89.8 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.2 | -50.1 | 175.9 | -69.4 | 166.8 | 0 | 0 | 0 | 109.9 | L312 E313 A318 V319 E320 | L312-I316 WeakPolarHBondContact O-CG1 3.41Å; L312-I316 PolarHBondContact O-N 2.96Å; E313-I316 PolarHBondContact O-N 2.89Å; I316-A318 PolarHBondContact O-N 2.91Å; I316-A318 VanDerWaalsContact O-N 3.17Å; I316-V319 CarbonylContact O-C 3.54Å; I316-V319 PolarHBondContact O-N 3.25Å; I316-E320 HydrophobicContact CG2-CG 4.16Å; I316-E320 WeakPolarHBondContact O-CB 3.33Å; I316-E320 WeakPolarHBondContact O-CG 3.47Å; I316-E320 PolarHBondContact O-N 3.33Å |
| 317 | K | 96.4 | Very high | 96.5 | Very high | 89 Ų | 89 | 92.1 Ų | 92.1 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -57.6 | -32.9 | 176 | -73.6 | 174.9 | -175.8 | 166.9 | 0 | 112.7 | E313 R321 | E313-K317 HydrophobicContact CG-CD 4.49Å; E313-K317 WeakPolarHBondContact O-CB 3.23Å; E313-K317 WeakPolarHBondContact O-CG 3.45Å; E313-K317 PolarHBondContact O-N 3.33Å; E313-K317 VanDerWaalsContact OE1-CE 3.23Å; E313-K317 WeakPolarHBondContact OE1-CE 3.38Å; E313-K317 IonicContact OE1-NZ 3.3Å; E313-K317 PolarHBondContact OE1-NZ 2.81Å; K317-R321 WeakPolarHBondContact O-CG 3.5Å; K317-R321 PolarHBondContact O-N 2.82Å; K317-R321 PolarHBondContact O-NE 3.01Å; K317-R321 VanDerWaalsContact O-NE 3.15Å |
| 318 | A | 96.7 | Very high | 96.4 | Very high | 35 Ų | 35 | 93.3 Ų | 93.3 | 29% | 0.289 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.7 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | N314 G315 I316 R321 S322 | N314-A318 WeakPolarHBondContact O-CB 3.47Å; N314-A318 PolarHBondContact O-N 2.92Å; G315-A318 WeakPolarHBondContact O-CB 3.29Å; G315-A318 PolarHBondContact O-N 3.47Å; G315-A318 VanDerWaalsContact O-N 3.11Å; I316-A318 PolarHBondContact O-N 2.91Å; I316-A318 VanDerWaalsContact O-N 3.17Å; A318-R321 PolarHBondContact O-N 2.99Å; A318-S322 PolarHBondContact O-N 3.16Å; A318-S322 PolarHBondContact O-OG 3.26Å |
| 319 | V | 97.1 | Very high | 96.5 | Very high | 100 Ų | 100 | 95.4 Ų | 95.4 | 61% | 0.606 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.9 | -43.9 | 175.3 | 173.4 | 0 | 0 | 0 | 0 | 111 | G315 I316 R321 S322 L323 | G315-V319 WeakPolarHBondContact O-CG2 3.3Å; G315-V319 PolarHBondContact O-N 3.42Å; I316-V319 CarbonylContact O-C 3.54Å; I316-V319 PolarHBondContact O-N 3.25Å; V319-R321 VanDerWaalsContact C-N 3.32Å; V319-R321 PolarHBondContact O-N 3.3Å; V319-S322 PolarHBondContact O-N 3.1Å; V319-S322 VanDerWaalsContact O-N 3.15Å; V319-L323 VanDerWaalsContact O-CB 3.29Å; V319-L323 WeakPolarHBondContact O-CB 3.39Å; V319-L323 PolarHBondContact O-N 3.45Å |
| 320 | E | 97.4 | Very high | 96.4 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.3 | -43.4 | 175.2 | -74.2 | 173.9 | 165 | 0 | 0 | 111.9 | I316 L323 G324 | I316-E320 HydrophobicContact CG2-CG 4.16Å; I316-E320 WeakPolarHBondContact O-CB 3.33Å; I316-E320 WeakPolarHBondContact O-CG 3.47Å; I316-E320 PolarHBondContact O-N 3.33Å; E320-L323 PolarHBondContact O-N 2.93Å; E320-G324 PolarHBondContact O-N 3.33Å |
| 321 | R | 95.4 | Very high | 96.4 | Very high | 151 Ų | 151 | 98 Ų | 98 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 174.7 | -79.9 | -178 | -84.4 | 102.2 | -5.4 | 112.1 | K317 A318 V319 G324 Q325 | K317-R321 WeakPolarHBondContact O-CG 3.5Å; K317-R321 PolarHBondContact O-N 2.82Å; K317-R321 PolarHBondContact O-NE 3.01Å; K317-R321 VanDerWaalsContact O-NE 3.15Å; A318-R321 PolarHBondContact O-N 2.99Å; V319-R321 VanDerWaalsContact C-N 3.32Å; V319-R321 PolarHBondContact O-N 3.3Å; R321-G324 PolarHBondContact O-N 3.31Å; R321-Q325 WeakPolarHBondContact O-CG 3.49Å; R321-Q325 PolarHBondContact O-N 2.91Å |
| 322 | S | 96.2 | Very high | 96.4 | Very high | 73 Ų | 73 | 92.9 Ų | 92.9 | 51% | 0.51 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.3 | -64.3 | 0 | 0 | 0 | 0 | 112.1 | A318 V319 Q325 A326 | A318-S322 PolarHBondContact O-N 3.16Å; A318-S322 PolarHBondContact O-OG 3.26Å; V319-S322 PolarHBondContact O-N 3.1Å; V319-S322 VanDerWaalsContact O-N 3.15Å; S322-Q325 PolarHBondContact O-N 3.46Å; S322-A326 WeakPolarHBondContact O-CB 3.4Å; S322-A326 PolarHBondContact O-N 3.38Å |
| 323 | L | 96.2 | Very high | 96.3 | Very high | 108 Ų | 108 | 92.6 Ų | 92.6 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -49.5 | 175.6 | -179 | 63.1 | 0 | 0 | 0 | 110.3 | V319 E320 Q325 A326 T327 | V319-L323 VanDerWaalsContact O-CB 3.29Å; V319-L323 WeakPolarHBondContact O-CB 3.39Å; V319-L323 PolarHBondContact O-N 3.45Å; E320-L323 PolarHBondContact O-N 2.93Å; L323-Q325 VanDerWaalsContact C-N 3.26Å; L323-Q325 PolarHBondContact O-N 2.84Å; L323-A326 CarbonylContact O-C 3.52Å; L323-A326 WeakPolarHBondContact O-CA 3.25Å; L323-A326 WeakPolarHBondContact O-CB 3.39Å; L323-A326 PolarHBondContact O-N 2.92Å; L323-T327 PolarHBondContact O-N 3.49Å; L323-T327 PolarHBondContact O-OG1 3.2Å |
| 324 | G | 96.2 | Very high | 96.2 | Very high | 43 Ų | 43 | 93.8 Ų | 93.8 | 44% | 0.443 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -57.4 | -38.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | E320 R321 K328 | E320-G324 PolarHBondContact O-N 3.33Å; R321-G324 PolarHBondContact O-N 3.31Å; G324-K328 WeakPolarHBondContact O-CB 3.43Å; G324-K328 PolarHBondContact O-N 2.8Å; G324-K328 VanDerWaalsContact O-N 3.08Å |
| 325 | Q | 96.2 | Very high | 96.1 | Very high | 105 Ų | 105 | 94.2 Ų | 94.2 | 49% | 0.491 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.3 | -40 | 172.9 | -70.2 | 177.7 | 27.7 | 0 | 0 | 112.8 | R321 S322 L323 K328 R329 | R321-Q325 WeakPolarHBondContact O-CG 3.49Å; R321-Q325 PolarHBondContact O-N 2.91Å; S322-Q325 PolarHBondContact O-N 3.46Å; L323-Q325 VanDerWaalsContact C-N 3.26Å; L323-Q325 PolarHBondContact O-N 2.84Å; Q325-K328 PolarHBondContact O-N 2.9Å; Q325-R329 WeakPolarHBondContact O-CG 3.46Å; Q325-R329 PolarHBondContact O-N 3.06Å |
| 326 | A | 96 | Very high | 96 | Very high | 48 Ų | 48 | 97.2 Ų | 97.2 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.5 | -44.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | S322 L323 K328 R329 L330 | S322-A326 WeakPolarHBondContact O-CB 3.4Å; S322-A326 PolarHBondContact O-N 3.38Å; L323-A326 CarbonylContact O-C 3.52Å; L323-A326 WeakPolarHBondContact O-CA 3.25Å; L323-A326 WeakPolarHBondContact O-CB 3.39Å; L323-A326 PolarHBondContact O-N 2.92Å; A326-K328 VanDerWaalsContact C-N 3.31Å; A326-K328 PolarHBondContact O-N 3.23Å; A326-R329 PolarHBondContact O-N 2.97Å; A326-L330 WeakPolarHBondContact O-CB 3.35Å; A326-L330 PolarHBondContact O-N 3.36Å |
| 327 | T | 96.7 | Very high | 95.8 | Very high | 81 Ų | 81 | 97.7 Ų | 97.7 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -58.1 | -43.9 | 174.4 | -52 | 0 | 0 | 0 | 0 | 111.2 | L323 L330 Q331 | L323-T327 PolarHBondContact O-N 3.49Å; L323-T327 PolarHBondContact O-OG1 3.2Å; T327-L330 PolarHBondContact O-N 3.39Å; T327-Q331 WeakPolarHBondContact O-CB 3.43Å; T327-Q331 PolarHBondContact O-N 3.25Å |
| 328 | K | 95.7 | Very high | 95.6 | Very high | 135 Ų | 135 | 98.5 Ų | 98.5 | 59% | 0.587 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -45.5 | 176 | -172.5 | 174 | -179 | 176.7 | 0 | 112.3 | G324 Q325 A326 L330 Q331 D332 | G324-K328 WeakPolarHBondContact O-CB 3.43Å; G324-K328 PolarHBondContact O-N 2.8Å; G324-K328 VanDerWaalsContact O-N 3.08Å; Q325-K328 PolarHBondContact O-N 2.9Å; A326-K328 VanDerWaalsContact C-N 3.31Å; A326-K328 PolarHBondContact O-N 3.23Å; K328-L330 VanDerWaalsContact C-N 3.29Å; K328-L330 PolarHBondContact O-N 3.49Å; K328-Q331 PolarHBondContact O-N 3.43Å; K328-D332 PolarHBondContact O-N 2.79Å |
| 329 | R | 96.5 | Very high | 95.4 | Very high | 147 Ų | 147 | 102.5 Ų | 102.5 | 56% | 0.555 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -37.1 | 175.7 | -71.6 | -178.5 | -171.1 | 102.8 | 2.4 | 112.3 | Q325 A326 K333 | Q325-R329 WeakPolarHBondContact O-CG 3.46Å; Q325-R329 PolarHBondContact O-N 3.06Å; A326-R329 PolarHBondContact O-N 2.97Å; R329-K333 WeakPolarHBondContact O-CB 3.33Å; R329-K333 VanDerWaalsContact O-CG 3.24Å; R329-K333 WeakPolarHBondContact O-CG 3.41Å; R329-K333 PolarHBondContact O-N 3.19Å |
| 330 | L | 95.4 | Very high | 95.1 | Very high | 113 Ų | 113 | 102.4 Ų | 102.4 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.8 | -46.1 | 176.5 | -161.9 | 161.5 | 0 | 0 | 0 | 110 | A326 T327 K328 D332 K333 E334 | A326-L330 WeakPolarHBondContact O-CB 3.35Å; A326-L330 PolarHBondContact O-N 3.36Å; T327-L330 PolarHBondContact O-N 3.39Å; K328-L330 VanDerWaalsContact C-N 3.29Å; K328-L330 PolarHBondContact O-N 3.49Å; L330-D332 PolarHBondContact O-N 2.79Å; L330-K333 CarbonylContact O-C 3.56Å; L330-K333 WeakPolarHBondContact O-CB 3.29Å; L330-K333 PolarHBondContact O-N 3.02Å; L330-K333 VanDerWaalsContact O-N 3.15Å; L330-E334 WeakPolarHBondContact O-CB 3.38Å; L330-E334 PolarHBondContact O-N 3.49Å |
| 331 | Q | 95.9 | Very high | 94.9 | Very high | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 175.4 | -171.8 | 179.7 | 16.8 | 0 | 0 | 112.4 | T327 K328 K333 E334 Q335 | T327-Q331 WeakPolarHBondContact O-CB 3.43Å; T327-Q331 PolarHBondContact O-N 3.25Å; K328-Q331 PolarHBondContact O-N 3.43Å; Q331-K333 VanDerWaalsContact C-N 3.31Å; Q331-K333 PolarHBondContact O-N 3.27Å; Q331-E334 PolarHBondContact O-N 2.9Å; Q331-Q335 WeakPolarHBondContact O-CG 3.36Å; Q331-Q335 PolarHBondContact O-N 2.99Å |
| 332 | D | 96.8 | Very high | 94.7 | Very high | 68 Ų | 68 | 98.4 Ų | 98.4 | 36% | 0.364 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -42.9 | 175.7 | -65.1 | -23.6 | 0 | 0 | 0 | 110.6 | K328 L330 Q335 E336 | K328-D332 PolarHBondContact O-N 2.79Å; L330-D332 PolarHBondContact O-N 2.79Å; D332-Q335 PolarHBondContact O-N 2.68Å; D332-E336 WeakPolarHBondContact O-CG 3.27Å; D332-E336 PolarHBondContact O-N 3.42Å |
| 333 | K | 94.2 | Very high | 94.5 | Very high | 116 Ų | 116 | 99.5 Ų | 99.5 | 50% | 0.504 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.2 | -35.3 | 176.1 | -70.8 | -72.9 | 158.3 | -155 | 0 | 113 | R329 L330 Q331 E336 L337 | R329-K333 WeakPolarHBondContact O-CB 3.33Å; R329-K333 VanDerWaalsContact O-CG 3.24Å; R329-K333 WeakPolarHBondContact O-CG 3.41Å; R329-K333 PolarHBondContact O-N 3.19Å; L330-K333 CarbonylContact O-C 3.56Å; L330-K333 WeakPolarHBondContact O-CB 3.29Å; L330-K333 PolarHBondContact O-N 3.02Å; L330-K333 VanDerWaalsContact O-N 3.15Å; Q331-K333 VanDerWaalsContact C-N 3.31Å; Q331-K333 PolarHBondContact O-N 3.27Å; K333-E336 WeakPolarHBondContact CD-OE2 3.41Å; K333-E336 IonicContact NZ-OE1 2.67Å; K333-E336 PolarHBondContact NZ-OE1 2.95Å; K333-E336 IonicContact NZ-OE2 3.08Å; K333-E336 PolarHBondContact NZ-OE2 3.38Å; K333-E336 PolarHBondContact O-N 3.28Å; K333-L337 WeakPolarHBondContact O-CB 3.34Å; K333-L337 VanDerWaalsContact O-CG 3.32Å; K333-L337 WeakPolarHBondContact O-CG 3.37Å; K333-L337 PolarHBondContact O-N 2.84Å |
| 334 | E | 95.3 | Very high | 94.1 | Very high | 112 Ų | 112 | 99.4 Ų | 99.4 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.4 | -40.8 | 176.3 | -162.7 | 166.8 | -151.7 | 0 | 0 | 110.9 | L330 Q331 L337 E338 | L330-E334 WeakPolarHBondContact O-CB 3.38Å; L330-E334 PolarHBondContact O-N 3.49Å; Q331-E334 PolarHBondContact O-N 2.9Å; E334-L337 PolarHBondContact O-N 3.08Å; E334-E338 PolarHBondContact O-N 3.33Å |
| 335 | Q | 94.2 | Very high | 93.8 | Very high | 105 Ų | 105 | 104.6 Ų | 104.6 | 49% | 0.491 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 171.4 | -70.2 | 178.8 | 6.6 | 0 | 0 | 112.4 | Q331 D332 L337 E338 Q339 | Q331-Q335 WeakPolarHBondContact O-CG 3.36Å; Q331-Q335 PolarHBondContact O-N 2.99Å; D332-Q335 PolarHBondContact O-N 2.68Å; Q335-L337 VanDerWaalsContact C-N 3.34Å; Q335-L337 PolarHBondContact O-N 3.17Å; Q335-E338 PolarHBondContact O-N 3.48Å; Q335-Q339 WeakPolarHBondContact O-CB 3.2Å; Q335-Q339 PolarHBondContact O-N 2.9Å |
| 336 | E | 94.9 | Very high | 93.4 | Very high | 97 Ų | 97 | 106 Ų | 106 | 45% | 0.453 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 172.7 | -74.8 | 175.7 | -165.9 | 0 | 0 | 111.6 | D332 K333 Q339 L340 | D332-E336 WeakPolarHBondContact O-CG 3.27Å; D332-E336 PolarHBondContact O-N 3.42Å; K333-E336 WeakPolarHBondContact CD-OE2 3.41Å; K333-E336 IonicContact NZ-OE1 2.67Å; K333-E336 PolarHBondContact NZ-OE1 2.95Å; K333-E336 IonicContact NZ-OE2 3.08Å; K333-E336 PolarHBondContact NZ-OE2 3.38Å; K333-E336 PolarHBondContact O-N 3.28Å; E336-Q339 WeakPolarHBondContact O-CB 3.4Å; E336-Q339 PolarHBondContact O-N 2.79Å; E336-L340 WeakPolarHBondContact O-CB 3.2Å; E336-L340 WeakPolarHBondContact O-CG 3.24Å; E336-L340 PolarHBondContact O-N 3.41Å |
| 337 | L | 91.6 | Very high | 92.9 | Very high | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -40.7 | 177 | -76 | 176 | 0 | 0 | 0 | 112.2 | K333 E334 Q335 Q339 L340 T341 | K333-L337 WeakPolarHBondContact O-CB 3.34Å; K333-L337 VanDerWaalsContact O-CG 3.32Å; K333-L337 WeakPolarHBondContact O-CG 3.37Å; K333-L337 PolarHBondContact O-N 2.84Å; E334-L337 PolarHBondContact O-N 3.08Å; Q335-L337 VanDerWaalsContact C-N 3.34Å; Q335-L337 PolarHBondContact O-N 3.17Å; L337-Q339 VanDerWaalsContact C-N 3.28Å; L337-Q339 PolarHBondContact O-N 2.94Å; L337-L340 PolarHBondContact O-N 3.39Å; L337-T341 VanDerWaalsContact O-CB 3.24Å; L337-T341 WeakPolarHBondContact O-CB 3.47Å; L337-T341 PolarHBondContact O-N 3.49Å; L337-T341 PolarHBondContact O-OG1 3.39Å |
| 338 | E | 92.6 | Very high | 92.3 | Very high | 107 Ų | 107 | 107.5 Ų | 107.5 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 172.7 | -81.4 | -170.5 | -170.1 | 0 | 0 | 111.7 | E334 Q335 T341 K342 | E334-E338 PolarHBondContact O-N 3.33Å; Q335-E338 PolarHBondContact O-N 3.48Å; E338-T341 PolarHBondContact O-N 3.33Å; E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.43Å; E338-K342 PolarHBondContact O-N 3.44Å; E338-K342 IonicContact OE2-NZ 3.89Å |
| 339 | Q | 93.2 | Very high | 91.6 | Very high | 118 Ų | 118 | 106 Ų | 106 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -49.6 | 177.3 | -168.7 | 123.4 | -4.9 | 0 | 0 | 111.1 | Q335 E336 L337 T341 K342 E343 | Q335-Q339 WeakPolarHBondContact O-CB 3.2Å; Q335-Q339 PolarHBondContact O-N 2.9Å; E336-Q339 WeakPolarHBondContact O-CB 3.4Å; E336-Q339 PolarHBondContact O-N 2.79Å; L337-Q339 VanDerWaalsContact C-N 3.28Å; L337-Q339 PolarHBondContact O-N 2.94Å; Q339-T341 PolarHBondContact O-N 3.22Å; Q339-K342 WeakPolarHBondContact O-CB 3.44Å; Q339-K342 PolarHBondContact O-N 2.88Å; Q339-K342 VanDerWaalsContact O-N 3.11Å; Q339-E343 WeakPolarHBondContact O-CG 3.34Å; Q339-E343 PolarHBondContact O-N 3.49Å |
| 340 | L | 91.5 | Very high | 90.9 | Very high | 98 Ų | 98 | 104.5 Ų | 104.5 | 51% | 0.513 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.5 | -35.8 | 173.5 | -79 | 163.3 | 0 | 0 | 0 | 112 | E336 L337 E343 L344 | E336-L340 WeakPolarHBondContact O-CB 3.2Å; E336-L340 WeakPolarHBondContact O-CG 3.24Å; E336-L340 PolarHBondContact O-N 3.41Å; L337-L340 PolarHBondContact O-N 3.39Å; L340-E343 PolarHBondContact O-N 2.9Å; L340-L344 WeakPolarHBondContact O-CB 3.46Å; L340-L344 PolarHBondContact O-N 3.21Å |
| 341 | T | 91.8 | Very high | 90 | Very high | 65 Ų | 65 | 103.5 Ų | 103.5 | 40% | 0.399 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -38.9 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 111.2 | L337 E338 Q339 R345 | L337-T341 VanDerWaalsContact O-CB 3.24Å; L337-T341 WeakPolarHBondContact O-CB 3.47Å; L337-T341 PolarHBondContact O-N 3.49Å; L337-T341 PolarHBondContact O-OG1 3.39Å; E338-T341 PolarHBondContact O-N 3.33Å; Q339-T341 PolarHBondContact O-N 3.22Å; T341-R345 WeakPolarHBondContact O-CB 3.14Å; T341-R345 PolarHBondContact O-N 2.79Å |
| 342 | K | 90.9 | Very high | 89.2 | Confident | 117 Ų | 117 | 104.5 Ų | 104.5 | 51% | 0.509 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 172.9 | -74 | 165.6 | -172.8 | 160.8 | 0 | 110.9 | E338 Q339 R345 Q346 | E338-K342 VanDerWaalsContact O-CG 3.29Å; E338-K342 WeakPolarHBondContact O-CG 3.43Å; E338-K342 PolarHBondContact O-N 3.44Å; E338-K342 IonicContact OE2-NZ 3.89Å; Q339-K342 WeakPolarHBondContact O-CB 3.44Å; Q339-K342 PolarHBondContact O-N 2.88Å; Q339-K342 VanDerWaalsContact O-N 3.11Å; K342-R345 PolarHBondContact O-N 2.83Å; K342-Q346 WeakPolarHBondContact O-CB 3.37Å; K342-Q346 PolarHBondContact O-N 2.84Å |
| 343 | E | 92.1 | Very high | 88 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.9 | -47.4 | 176.2 | -72.2 | 177.5 | -171.7 | 0 | 0 | 111.7 | Q339 L340 R345 Q346 V347 | Q339-E343 WeakPolarHBondContact O-CG 3.34Å; Q339-E343 PolarHBondContact O-N 3.49Å; L340-E343 PolarHBondContact O-N 2.9Å; E343-R345 VanDerWaalsContact C-N 3.31Å; E343-R345 PolarHBondContact O-N 2.98Å; E343-Q346 CarbonylContact O-C 3.58Å; E343-Q346 WeakPolarHBondContact O-CA 3.24Å; E343-Q346 WeakPolarHBondContact O-CB 3.19Å; E343-Q346 PolarHBondContact O-N 3.45Å; E343-Q346 VanDerWaalsContact O-N 3.08Å; E343-V347 WeakPolarHBondContact O-CG2 3.33Å; E343-V347 PolarHBondContact O-N 3.24Å |
| 344 | L | 89.2 | Confident | 86.7 | Confident | 105 Ų | 105 | 107.8 Ų | 107.8 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.4 | -42.2 | 175.4 | -178.7 | 65.1 | 0 | 0 | 0 | 111 | L340 Q346 V347 N348 | L340-L344 WeakPolarHBondContact O-CB 3.46Å; L340-L344 PolarHBondContact O-N 3.21Å; L344-Q346 VanDerWaalsContact C-N 3.32Å; L344-Q346 PolarHBondContact O-N 3.46Å; L344-V347 PolarHBondContact O-N 2.77Å; L344-N348 VanDerWaalsContact O-CB 3.26Å; L344-N348 WeakPolarHBondContact O-CB 2.93Å; L344-N348 VanDerWaalsContact O-CG 3.3Å; L344-N348 PolarHBondContact O-N 2.81Å |
| 345 | R | 88.6 | Confident | 85.3 | Confident | 153 Ų | 153 | 109.5 Ų | 109.5 | 58% | 0.577 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 174.6 | -169.5 | -175.9 | -63.5 | 123.4 | -1.9 | 111.1 | T341 K342 E343 L349 | T341-R345 WeakPolarHBondContact O-CB 3.14Å; T341-R345 PolarHBondContact O-N 2.79Å; K342-R345 PolarHBondContact O-N 2.83Å; E343-R345 VanDerWaalsContact C-N 3.31Å; E343-R345 PolarHBondContact O-N 2.98Å; R345-L349 WeakPolarHBondContact O-CB 3.41Å; R345-L349 PolarHBondContact O-N 3.21Å |
| 346 | Q | 87.8 | Confident | 83.4 | Confident | 134 Ų | 134 | 107.5 Ų | 107.5 | 63% | 0.626 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -66.3 | -43.3 | 176.5 | -172.8 | 175 | 17.2 | 0 | 0 | 111.5 | K342 E343 L344 L349 Q350 | K342-Q346 WeakPolarHBondContact O-CB 3.37Å; K342-Q346 PolarHBondContact O-N 2.84Å; E343-Q346 CarbonylContact O-C 3.58Å; E343-Q346 WeakPolarHBondContact O-CA 3.24Å; E343-Q346 WeakPolarHBondContact O-CB 3.19Å; E343-Q346 PolarHBondContact O-N 3.45Å; E343-Q346 VanDerWaalsContact O-N 3.08Å; L344-Q346 VanDerWaalsContact C-N 3.32Å; L344-Q346 PolarHBondContact O-N 3.46Å; Q346-L349 PolarHBondContact O-N 2.9Å; Q346-Q350 VanDerWaalsContact O-CB 3.24Å; Q346-Q350 WeakPolarHBondContact O-CB 3.32Å; Q346-Q350 PolarHBondContact O-N 3.35Å |
| 347 | V | 85.4 | Confident | 81.3 | Confident | 76 Ų | 76 | 105.7 Ų | 105.7 | 46% | 0.461 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -46.3 | 175 | 172.2 | 0 | 0 | 0 | 0 | 110.5 | E343 L344 L349 Q350 Q351 | E343-V347 WeakPolarHBondContact O-CG2 3.33Å; E343-V347 PolarHBondContact O-N 3.24Å; L344-V347 PolarHBondContact O-N 2.77Å; V347-L349 PolarHBondContact O-N 3.48Å; V347-Q350 PolarHBondContact O-N 2.84Å; V347-Q351 VanDerWaalsContact O-CB 3.26Å; V347-Q351 WeakPolarHBondContact O-CB 3.12Å; V347-Q351 PolarHBondContact O-N 3.32Å |
| 348 | N | 84 | Confident | 78.7 | Confident | 85 Ų | 85 | 106.1 Ų | 106.1 | 46% | 0.455 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.4 | -42.8 | 175.4 | -79.4 | -18.1 | 0 | 0 | 0 | 111.5 | L344 Q351 F352 | L344-N348 VanDerWaalsContact O-CB 3.26Å; L344-N348 WeakPolarHBondContact O-CB 2.93Å; L344-N348 VanDerWaalsContact O-CG 3.3Å; L344-N348 PolarHBondContact O-N 2.81Å; N348-Q351 PolarHBondContact O-N 3.46Å; N348-F352 VanDerWaalsContact O-CB 3.26Å; N348-F352 WeakPolarHBondContact O-CB 3.21Å; N348-F352 PolarHBondContact O-N 2.76Å |
| 349 | L | 81.8 | Confident | 76 | Confident | 104 Ų | 104 | 109.9 Ų | 109.9 | 55% | 0.545 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 175.6 | -180 | 64.3 | 0 | 0 | 0 | 111.1 | R345 Q346 V347 F352 I353 | R345-L349 WeakPolarHBondContact O-CB 3.41Å; R345-L349 PolarHBondContact O-N 3.21Å; Q346-L349 PolarHBondContact O-N 2.9Å; V347-L349 PolarHBondContact O-N 3.48Å; L349-F352 PolarHBondContact O-N 2.77Å; L349-I353 HydrophobicContact CD1-CD1 4.46Å; L349-I353 HydrophobicContact CG-CD1 4.11Å; L349-I353 WeakPolarHBondContact O-CD1 3.39Å; L349-I353 WeakPolarHBondContact O-CG1 3.45Å; L349-I353 PolarHBondContact O-N 3.29Å |
| 350 | Q | 80.6 | Confident | 73 | Confident | 115 Ų | 115 | 110.7 Ų | 110.7 | 54% | 0.537 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.9 | -39.1 | 177.9 | -170.3 | 173.1 | 43.6 | 0 | 0 | 112 | Q346 V347 I353 Q354 | Q346-Q350 VanDerWaalsContact O-CB 3.24Å; Q346-Q350 WeakPolarHBondContact O-CB 3.32Å; Q346-Q350 PolarHBondContact O-N 3.35Å; V347-Q350 PolarHBondContact O-N 2.84Å; Q350-I353 PolarHBondContact O-N 2.85Å; Q350-Q354 WeakPolarHBondContact O-CG 3.45Å; Q350-Q354 PolarHBondContact O-N 2.67Å |
| 351 | Q | 77.8 | Confident | 70.3 | Confident | 92 Ų | 92 | 112.8 Ų | 112.8 | 43% | 0.43 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.2 | -38.7 | 175 | -166 | 172.4 | 18 | 0 | 0 | 110.9 | V347 N348 Q354 Q355 | V347-Q351 VanDerWaalsContact O-CB 3.26Å; V347-Q351 WeakPolarHBondContact O-CB 3.12Å; V347-Q351 PolarHBondContact O-N 3.32Å; N348-Q351 PolarHBondContact O-N 3.46Å; Q351-Q354 PolarHBondContact O-N 3.38Å; Q351-Q355 HydrophobicContact CG-CG 4.48Å; Q351-Q355 WeakPolarHBondContact O-CB 3.28Å; Q351-Q355 WeakPolarHBondContact O-CG 2.92Å; Q351-Q355 PolarHBondContact O-N 3.2Å |
| 352 | F | 78.3 | Confident | 67.3 | Low | 124 Ų | 124 | 115.5 Ų | 115.5 | 54% | 0.544 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -60 | -49.7 | 170.8 | -175.4 | -98.2 | 0 | 0 | 0 | 110.5 | N348 L349 Q354 Q355 T356 | N348-F352 VanDerWaalsContact O-CB 3.26Å; N348-F352 WeakPolarHBondContact O-CB 3.21Å; N348-F352 PolarHBondContact O-N 2.76Å; L349-F352 PolarHBondContact O-N 2.77Å; F352-Q354 VanDerWaalsContact C-N 3.25Å; F352-Q354 PolarHBondContact O-N 3.46Å; F352-Q355 PolarHBondContact O-N 2.77Å; F352-T356 HydrophobicContact CD2-CG2 4.34Å; F352-T356 HydrophobicContact CE1-CG2 4.37Å; F352-T356 HydrophobicContact CE2-CG2 3.97Å; F352-T356 HydrophobicContact CZ-CG2 3.98Å; F352-T356 PolarHBondContact O-N 2.83Å; F352-T356 PolarHBondContact O-OG1 2.85Å |
| 353 | I | 71.3 | Confident | 64.6 | Low | 107 Ų | 107 | 118.2 Ų | 118.2 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -57 | -37 | 175.5 | -68 | 162.2 | 0 | 0 | 0 | 112 | L349 Q350 T356 | L349-I353 HydrophobicContact CD1-CD1 4.46Å; L349-I353 HydrophobicContact CG-CD1 4.11Å; L349-I353 WeakPolarHBondContact O-CD1 3.39Å; L349-I353 WeakPolarHBondContact O-CG1 3.45Å; L349-I353 PolarHBondContact O-N 3.29Å; Q350-I353 PolarHBondContact O-N 2.85Å; I353-T356 CarbonylContact O-C 3.53Å |
| 354 | Q | 67.2 | Low | 61.9 | Low | 147 Ų | 147 | 119 Ų | 119 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.4 | -43.3 | 176.6 | -78.9 | 178 | 19.2 | 0 | 0 | 113.4 | Q350 Q351 F352 | Q350-Q354 WeakPolarHBondContact O-CG 3.45Å; Q350-Q354 PolarHBondContact O-N 2.67Å; Q351-Q354 PolarHBondContact O-N 3.38Å; F352-Q354 VanDerWaalsContact C-N 3.25Å; F352-Q354 PolarHBondContact O-N 3.46Å |
| 355 | Q | 67.5 | Low | 59.2 | Low | 147 Ų | 147 | 118.2 Ų | 118.2 | 69% | 0.687 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.7 | -36.4 | -180 | -73.5 | -177.1 | -7.6 | 0 | 0 | 111.4 | Q351 F352 G357 | Q351-Q355 HydrophobicContact CG-CG 4.48Å; Q351-Q355 WeakPolarHBondContact O-CB 3.28Å; Q351-Q355 WeakPolarHBondContact O-CG 2.92Å; Q351-Q355 PolarHBondContact O-N 3.2Å; F352-Q355 PolarHBondContact O-N 2.77Å; Q355-G357 PolarHBondContact O-N 3.28Å |
| 356 | T | 54.3 | Low | 56.5 | Low | 63 Ų | 63 | 119.1 Ų | 119.1 | 39% | 0.387 | 65% | 0.65 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.3 | 65.6 | 172.5 | 67.2 | 0 | 0 | 0 | 0 | 109.5 | F352 I353 T358 | F352-T356 HydrophobicContact CD2-CG2 4.34Å; F352-T356 HydrophobicContact CE1-CG2 4.37Å; F352-T356 HydrophobicContact CE2-CG2 3.97Å; F352-T356 HydrophobicContact CZ-CG2 3.98Å; F352-T356 PolarHBondContact O-N 2.83Å; F352-T356 PolarHBondContact O-OG1 2.85Å; I353-T356 CarbonylContact O-C 3.53Å; T356-T358 PolarHBondContact O-N 3.37Å |
| 357 | G | 49.5 | Very low | 54.1 | Low | 59 Ų | 59 | 118.7 Ų | 118.7 | 61% | 0.608 | 66% | 0.658 | S | S | * | * | trans | -54.7 | 108.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 108 | Q355 | Q355-G357 PolarHBondContact O-N 3.28Š| ||
| 358 | T | 37.8 | Very low | 51.7 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 103.9 | 104.3 | 174.7 | -41 | 0 | 0 | 0 | 0 | 116.1 | T356 | T356-T358 PolarHBondContact O-N 3.37Š|
| 359 | K | 35.9 | Very low | 49.1 | Very low | 187 Ų | 187 | 126.5 Ų | 126.5 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | 67.1 | 97.2 | 149.4 | -63.9 | 178.1 | -176.7 | -178.1 | 0 | 120.3 | ||||
| 360 | V | 29.5 | Very low | 47.1 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 81% | 0.812 | 70% | 0.7 | S | S | * | * | 29.9 | 106.3 | 124.3 | -174.1 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 361 | T | 35.5 | Very low | 44.7 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 88% | 0.877 | 71% | 0.713 | S | S | * | * | trans | -151.8 | 126.3 | 137.7 | 32.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | V | 28.8 | Very low | 42.4 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 73% | 0.733 | 73% | 0.731 | S | S | * | * | trans | -73.6 | 139.7 | 177.6 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 363 | L | 33.1 | Very low | 40.4 | Very low | 174 Ų | 174 | 131.4 Ų | 131.4 | 91% | 0.911 | 75% | 0.746 | S | S | * | * | trans | -175.4 | 117.8 | 140.7 | -97.4 | 167.5 | 0 | 0 | 0 | 111.3 | ||||
| 364 | P | 34.9 | Very low | 38.5 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -106.5 | 148.3 | 174.6 | 36.8 | -27.7 | 0 | 0 | 0 | 112.9 | ||||
| 365 | A | 33.4 | Very low | 37.1 | Very low | 90 Ų | 90 | 132.9 Ų | 132.9 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | 164.7 | 146.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 366 | E | 33 | Very low | 35.4 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | cis | -166.9 | 140.1 | 1.2 | -105.7 | 168.8 | -176.8 | 0 | 0 | 105.5 | ||||
| 367 | P | 36.2 | Very low | 34.3 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -88.6 | 139.5 | 172.5 | 32.8 | -28.9 | 0 | 0 | 0 | 111.1 | ||||
| 368 | I | 34.9 | Very low | 33.4 | Very low | 155 Ų | 155 | 143.8 Ų | 143.8 | 80% | 0.795 | 80% | 0.804 | S | S | * | * | trans | -115.9 | 108.2 | 171.8 | -63.9 | 171.2 | 0 | 0 | 0 | 108.2 | I370 | I368-I370 HydrophobicContact CG2-CD1 4.18Š| ||
| 369 | E | 29.1 | Very low | 33.1 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 81% | 0.811 | S | S | * | * | trans | -79.5 | 151 | 160.1 | -60.8 | 177.1 | 162.5 | 0 | 0 | 109.5 | ||||
| 370 | I | 40.3 | Very low | 32.9 | Very low | 145 Ų | 145 | 149.8 Ų | 149.8 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | -175.8 | 99.7 | 153.2 | -82 | 135.8 | 0 | 0 | 0 | 104.5 | I368 | I368-I370 HydrophobicContact CG2-CD1 4.18Š| ||
| 371 | E | 30.4 | Very low | 33 | Very low | 172 Ų | 172 | 147.8 Ų | 147.8 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | 58.4 | 101.4 | 88.9 | -66.8 | -168.9 | 162.4 | 0 | 0 | 113.4 | |||||
| 372 | A | 29.5 | Very low | 33.4 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | 71 | 111.7 | 87.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 373 | S | 37.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -161.5 | 102.7 | 147.2 | 41.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 374 | H | 29.4 | Very low | 33.7 | Very low | 199 Ų | 199 | 151 Ų | 151 | 92% | 0.921 | 82% | 0.815 | S | S | * | * | trans | -88.4 | 133.4 | 152.8 | -87.7 | -95.9 | 0 | 0 | 0 | 107.1 | ||||
| 375 | A | 37.8 | Very low | 33.8 | Very low | 86 Ų | 86 | 151.2 Ų | 151.2 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | trans | -150.3 | 100.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 376 | D | 33.4 | Very low | 33.7 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | 55.9 | 109.8 | 133.5 | -53.5 | -26.2 | 0 | 0 | 0 | 121.3 | ||||
| 377 | I | 31.2 | Very low | 33.8 | Very low | 161 Ų | 161 | 148.4 Ų | 148.4 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | -118.7 | 150.2 | 163 | -56.3 | 176.1 | 0 | 0 | 0 | 106.7 | ||||
| 378 | E | 30.9 | Very low | 33.8 | Very low | 172 Ų | 172 | 150.7 Ų | 150.7 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | 102.7 | 106 | 164 | -54.6 | -164.6 | 157.8 | 0 | 0 | 115.3 | ||||
| 379 | R | 30.6 | Very low | 33.9 | Very low | 226 Ų | 226 | 153.2 Ų | 153.2 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | 91.9 | 99.3 | 62.9 | -176.4 | -171.9 | -162.8 | 178.7 | 4.7 | 111 | |||||
| 380 | E | 32.3 | Very low | 34.2 | Very low | 203 Ų | 203 | 156.8 Ų | 156.8 | 95% | 0.949 | 84% | 0.841 | S | S | * | * | trans | -149.6 | 140.4 | 149.4 | -78.2 | -144.6 | 162.8 | 0 | 0 | 112.1 | ||||
| 381 | A | 32.2 | Very low | 34.1 | Very low | 93 Ų | 93 | 155.9 Ų | 155.9 | 77% | 0.769 | 85% | 0.845 | S | S | * | * | trans | -141.5 | 179 | 176 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 382 | P | 42.3 | Very low | 34.2 | Very low | 112 Ų | 112 | 151.6 Ų | 151.6 | 73% | 0.727 | 85% | 0.847 | S | S | * | * | -120.4 | 149.6 | -60 | 34.5 | -20.6 | 0 | 0 | 0 | 111.6 | |||||
| 383 | F | 33 | Very low | 34.8 | Very low | 206 Ų | 206 | 152.3 Ų | 152.3 | 90% | 0.904 | 85% | 0.846 | S | S | * | * | trans | -93 | 116.3 | 171.3 | -88 | -99.3 | 0 | 0 | 0 | 110.8 | ||||
| 384 | Q | 36.9 | Very low | 34.8 | Very low | 188 Ų | 188 | 152.2 Ų | 152.2 | 88% | 0.879 | 85% | 0.845 | S | S | * | * | trans | -126.7 | 108.9 | 163.9 | -73.6 | -172.6 | 23.4 | 0 | 0 | 109.3 | ||||
| 385 | S | 36.2 | Very low | 35 | Very low | 115 Ų | 115 | 154 Ų | 154 | 80% | 0.804 | 84% | 0.844 | S | S | * | * | trans | -97.2 | 115.4 | 177 | -58.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 386 | G | 30.2 | Very low | 35 | Very low | 80 Ų | 80 | 159.2 Ų | 159.2 | 83% | 0.825 | 85% | 0.853 | S | S | * | * | trans | -75.5 | 147.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 387 | S | 35.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 159.1 Ų | 159.1 | 87% | 0.867 | 85% | 0.852 | S | S | * | * | trans | -131.1 | 130.2 | 172.7 | -170.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 388 | L | 37 | Very low | 35.4 | Very low | 171 Ų | 171 | 157 Ų | 157 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 131.7 | -162.7 | -70.4 | 150 | 0 | 0 | 0 | 112.1 | ||
| 389 | K | 35.3 | Very low | 35.7 | Very low | 208 Ų | 208 | 154.1 Ų | 154.1 | 90% | 0.904 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -80 | 129 | 170.1 | -69.3 | -159.4 | 175.8 | -172.3 | 0 | 111 | ||
| 390 | R | 36.3 | Very low | 36.1 | Very low | 246 Ų | 246 | 150.6 Ų | 150.6 | 93% | 0.928 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 134.4 | 170.6 | -84.1 | -178.9 | 175.7 | -176.1 | -1.5 | 111.2 | ||
| 391 | P | 38.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 139 | 168.7 | 21.1 | -9.9 | 0 | 0 | 0 | 112.3 | ||
| 392 | G | 33.2 | Very low | 36.6 | Very low | 82 Ų | 82 | 156.3 Ų | 156.3 | 85% | 0.845 | 85% | 0.851 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 393 | S | 40.3 | Very low | 36.2 | Very low | 114 Ų | 114 | 158.8 Ų | 158.8 | 80% | 0.797 | 86% | 0.856 | S | S | * | * | trans | -107 | 116.1 | -178.8 | 178.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 394 | S | 37.3 | Very low | 36.2 | Very low | 120 Ų | 120 | 157.4 Ų | 157.4 | 84% | 0.839 | 86% | 0.857 | S | S | * | * | trans | -88.9 | 118 | 171.9 | -74.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 395 | R | 34.4 | Very low | 36.1 | Very low | 237 Ų | 237 | 157.2 Ų | 157.2 | 89% | 0.894 | 86% | 0.856 | S | S | * | * | trans | -84.6 | 125.2 | 167.1 | -70.5 | -178.6 | -179.9 | -162.1 | -1.1 | 109.2 | ||||
| 396 | Q | 38.4 | Very low | 35.8 | Very low | 194 Ų | 194 | 159.2 Ų | 159.2 | 91% | 0.907 | 86% | 0.858 | S | S | * | * | trans | -107 | 123 | 164.3 | -71 | -170.9 | -35.2 | 0 | 0 | 108.4 | ||||
| 397 | L | 36.9 | Very low | 36.2 | Very low | 163 Ų | 163 | 161.2 Ų | 161.2 | 85% | 0.853 | 86% | 0.856 | S | S | * | * | trans | -95.8 | 134.1 | 174.2 | -74.5 | 168.3 | 0 | 0 | 0 | 109.3 | ||||
| 398 | P | 35.7 | Very low | 36.1 | Very low | 117 Ų | 117 | 163.1 Ų | 163.1 | 76% | 0.76 | 86% | 0.855 | S | S | * | * | trans | -85.2 | 122.3 | 179.7 | -2.6 | 21.6 | 0 | 0 | 0 | 111.4 | ||||
| 399 | S | 37.3 | Very low | 35.7 | Very low | 111 Ų | 111 | 160.8 Ų | 160.8 | 78% | 0.776 | 85% | 0.853 | S | S | * | * | trans | -84.4 | 108 | 172.7 | 54.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 400 | N | 37.5 | Very low | 35.6 | Very low | 151 Ų | 151 | 154.5 Ų | 154.5 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | trans | -133.1 | 84 | 167.3 | -79.3 | -41.9 | 0 | 0 | 0 | 109.8 | ||||
| 401 | L | 38.5 | Very low | 35.6 | Very low | 176 Ų | 176 | 147.2 Ų | 147.2 | 92% | 0.921 | 84% | 0.837 | S | S | * | * | trans | -115.7 | 79.2 | 170.2 | -68.1 | 176.3 | 0 | 0 | 0 | 108.6 | ||||
| 402 | R | 36.8 | Very low | 35.8 | Very low | 241 Ų | 241 | 148.1 Ų | 148.1 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -145.7 | 53.3 | 173.3 | -68.8 | -163.5 | -158.8 | 135.7 | 3 | 112.4 | ||||
| 403 | I | 33.9 | Very low | 36.5 | Very low | 163 Ų | 163 | 147 Ų | 147 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | trans | -147.4 | 68.7 | 170.6 | -47.5 | 173.5 | 0 | 0 | 0 | 109.5 | ||||
| 404 | L | 34.6 | Very low | 37 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 93% | 0.927 | 80% | 0.8 | S | S | * | * | trans | -154.9 | 72.5 | 160.2 | -73.4 | -174.7 | 0 | 0 | 0 | 109 | ||||
| 405 | Q | 33.2 | Very low | 38.1 | Very low | 185 Ų | 185 | 144.2 Ų | 144.2 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -136.1 | 83.1 | 166.4 | -81.8 | -169.7 | -12.7 | 0 | 0 | 108.8 | ||||
| 406 | N | 31.3 | Very low | 39.8 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 83% | 0.834 | 74% | 0.735 | S | S | * | * | trans | -136.8 | 93.1 | 162.8 | -91.9 | -0.7 | 0 | 0 | 0 | 107.8 | I408 | N406-I408 PolarHBondContact O-N 3.37Š| ||
| 407 | P | 36.9 | Very low | 41.6 | Very low | 122 Ų | 122 | 124.4 Ų | 124.4 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -81.7 | 112.9 | 172.8 | 31 | -27.5 | 0 | 0 | 0 | 108.9 | S409 | P407-S409 PolarHBondContact O-N 3.23Š| ||
| 408 | I | 34.6 | Very low | 43.6 | Very low | 164 Ų | 164 | 122.7 Ų | 122.7 | 84% | 0.841 | 68% | 0.677 | S | S | * | * | trans | -74.3 | 117.5 | 172.9 | -57.8 | 163.6 | 0 | 0 | 0 | 107.3 | N406 S410 | N406-I408 PolarHBondContact O-N 3.37Å; I408-S410 PolarHBondContact O-N 2.66Å | ||
| 409 | S | 29.1 | Very low | 45.2 | Very low | 122 Ų | 122 | 119.9 Ų | 119.9 | 85% | 0.853 | 66% | 0.657 | S | S | * | * | trans | -60 | 96.3 | 178.9 | -53.6 | 0 | 0 | 0 | 0 | 111.6 | P407 | P407-S409 PolarHBondContact O-N 3.23Š| ||
| 410 | S | 32.9 | Very low | 45.6 | Very low | 77 Ų | 77 | 120.4 Ų | 120.4 | 54% | 0.538 | 65% | 0.651 | S | S | . | * | trans | -97.3 | 133.4 | 159.8 | 88.2 | 0 | 0 | 0 | 0 | 107.7 | I408 F412 | I408-S410 PolarHBondContact O-N 2.66Å; S410-F412 PolarHBondContact O-N 3.1Å | ||
| 411 | G | 35.4 | Very low | 46 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 96% | 0.959 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -63.4 | 19.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 412 | F | 43.6 | Very low | 46.4 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 64% | 0.636 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -92 | 112.8 | 170.7 | -73.3 | -90.1 | 0 | 0 | 0 | 107.8 | S410 P414 | S410-F412 PolarHBondContact O-N 3.1Å; F412-P414 VanDerWaalsContact O-CD 3.23Å; F412-P414 WeakPolarHBondContact O-CD 3.29Å |
| 413 | N | 47 | Very low | 47 | Very low | 58 Ų | 58 | 108.2 Ų | 108.2 | 31% | 0.31 | 61% | 0.611 | S | S | . | * | trans | -43 | 107.7 | 177.9 | -179.2 | -5.8 | 0 | 0 | 0 | 110.1 | R39 E415 | R39-N413 PolarHBondContact NH2-O 2.67Å; N413-E415 PolarHBondContact O-N 3.44Å; N413-E415 WeakPolarHBondContact OD1-CB 3.01Å; N413-E415 WeakPolarHBondContact OD1-CG 3.36Å; N413-E415 PolarHBondContact OD1-N 3.37Å; N413-E415 VanDerWaalsContact OD1-N 3.17Å | ||
| 414 | P | 52.2 | Low | 47.8 | Very low | 113 Ų | 113 | 104.8 Ų | 104.8 | 73% | 0.734 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -8.7 | -170.8 | 25.7 | -34.3 | 0 | 0 | 0 | 113.2 | F412 G416 | F412-P414 VanDerWaalsContact O-CD 3.23Å; F412-P414 WeakPolarHBondContact O-CD 3.29Å; P414-G416 PolarHBondContact O-N 3.3Å |
| 415 | E | 60.9 | Low | 48.7 | Very low | 64 Ų | 64 | 99.9 Ų | 99.9 | 30% | 0.299 | 58% | 0.575 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | -10.3 | -173.6 | -60.4 | 175.9 | 161.7 | 0 | 0 | 114.5 | H52 A54 P55 N413 I417 | H52-E415 WeakPolarHBondContact CB-OE2 3.43Å; H52-E415 IonicContact CG-OE2 3.88Å; A54-E415 HydrophobicContact CB-CG 4.48Å; P55-E415 WeakPolarHBondContact CD-O 3.32Å; N413-E415 PolarHBondContact O-N 3.44Å; N413-E415 WeakPolarHBondContact OD1-CB 3.01Å; N413-E415 WeakPolarHBondContact OD1-CG 3.36Å; N413-E415 PolarHBondContact OD1-N 3.37Å; N413-E415 VanDerWaalsContact OD1-N 3.17Å; E415-I417 PolarHBondContact O-N 3.39Å |
| 416 | G | 68.6 | Low | 49.8 | Very low | 8 Ų | 8 | 93.9 Ų | 93.9 | 8% | 0.082 | 56% | 0.555 | C | S | . | * | P | Polyproline II helix | trans | -71.7 | 125.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y40 P414 | Y40-G416 CarbonylContact O-C 3.54Å; P414-G416 PolarHBondContact O-N 3.3Å |
| 417 | I | 76.7 | Confident | 51.2 | Low | 6 Ų | 6 | 89.1 Ų | 89.1 | 3% | 0.031 | 53% | 0.533 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.8 | 177.4 | -60.4 | 153.3 | 0 | 0 | 0 | 109.2 | C23 Q24 V27 R39 Y40 P55 E415 V419 | C23-I417 HydrophobicContact CB-CD1 4.34Å; Q24-I417 HydrophobicContact CB-CG2 4.48Å; Q24-I417 HydrophobicContact CG-CG2 4.08Å; V27-I417 HydrophobicContact CB-CB 4.5Å; V27-I417 HydrophobicContact CB-CD1 3.82Å; V27-I417 HydrophobicContact CB-CG2 4.26Å; V27-I417 HydrophobicContact CG1-CB 3.99Å; V27-I417 HydrophobicContact CG1-CD1 4.14Å; V27-I417 HydrophobicContact CG1-CG2 3.86Å; V27-I417 HydrophobicContact CG2-CD1 3.57Å; R39-I417 CarbonylContact C-O 3.58Å; R39-I417 WeakPolarHBondContact CA-O 3.04Å; Y40-I417 PolarHBondContact N-O 2.94Å; Y40-I417 PolarHBondContact O-N 2.87Å; P55-I417 HydrophobicContact CB-CD1 4.42Å; P55-I417 HydrophobicContact CB-CG1 3.76Å; P55-I417 HydrophobicContact CG-CG1 3.74Å; E415-I417 PolarHBondContact O-N 3.39Å; I417-V419 HydrophobicContact CG2-CG2 4.24Å |
| 418 | Y | 78.1 | Confident | 52.4 | Low | 128 Ų | 128 | 86.3 Ų | 86.3 | 50% | 0.502 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.2 | 171.4 | -77.2 | -92.7 | 0 | 0 | 0 | 109.6 | R39 L84 | R39-Y418 HydrophobicContact CB-CD1 4.26Å; R39-Y418 HydrophobicContact CB-CE1 4.02Å; R39-Y418 HydrophobicContact CG-CD2 4.32Å; R39-Y418 HydrophobicContact CG-CE1 4.26Å; R39-Y418 HydrophobicContact CG-CE2 4.05Å; L84-Y418 HydrophobicContact CD1-CD1 4.31Å; L84-Y418 HydrophobicContact CD1-CE1 4.39Å |
| 419 | V | 69.7 | Low | 54 | Low | 58 Ų | 58 | 79.3 Ų | 79.3 | 35% | 0.352 | 48% | 0.481 | S | S | . | . | trans | -112.9 | 0 | 171.6 | -170.8 | 0 | 0 | 0 | 0 | 110.7 | V27 I28 A31 T37 G38 Y40 I417 | V27-V419 HydrophobicContact CG1-CG2 3.68Å; I28-V419 HydrophobicContact CB-CG1 4.34Å; I28-V419 HydrophobicContact CB-CG2 4.48Å; I28-V419 HydrophobicContact CG1-CG1 4.19Å; I28-V419 HydrophobicContact CG1-CG2 3.9Å; I28-V419 HydrophobicContact CG2-CG1 4.3Å; A31-V419 HydrophobicContact CB-CB 3.82Å; A31-V419 HydrophobicContact CB-CG1 3.69Å; A31-V419 HydrophobicContact CB-CG2 3.88Å; T37-V419 WeakPolarHBondContact CA-O 3.2Å; T37-V419 VanDerWaalsContact CB-O 3.24Å; T37-V419 WeakPolarHBondContact CB-O 3.45Å; G38-V419 PolarHBondContact N-O 3.15Å; G38-V419 PolarHBondContact O-N 2.65Å; Y40-V419 HydrophobicContact CD2-CB 4.43Å; Y40-V419 HydrophobicContact CD2-CG2 4.15Å; I417-V419 HydrophobicContact CG2-CG2 4.24Å |
Retrieved 419 of 419 residues in 59.5 ms
(Link to these results)