| 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 | 30.5 | Very low | 32.9 | Very low | 237 Ų | 237 | 124.5 Ų | 124.5 | 100% | 1.167 | 61% | 0.613 | S | S | * | * | 0 | 177.7 | 0 | -68.3 | -178.2 | 175.8 | 0 | 0 | 109.7 | |||||
| 2 | L | 28 | Very low | 33.3 | Very low | 87 Ų | 87 | 121.5 Ų | 121.5 | 46% | 0.455 | 60% | 0.6 | S | S | . | * | trans | 68.9 | 68.9 | 171.8 | -51.8 | 168.9 | 0 | 0 | 0 | 118.1 | V1360 E1364 | L2-V1360 HydrophobicContact CD1-CB 4.14Å; L2-V1360 HydrophobicContact CD1-CG1 3.51Å; L2-V1360 HydrophobicContact CD1-CG2 3.5Å; L2-V1360 HydrophobicContact CD2-CG1 4.08Å; L2-V1360 HydrophobicContact CG-CG1 4.39Å; L2-E1364 HydrophobicContact CD2-CG 4.4Å | ||
| 3 | F | 31.4 | Very low | 34.4 | Very low | 195 Ų | 195 | 118.5 Ų | 118.5 | 86% | 0.855 | 60% | 0.599 | S | S | * | * | trans | -156.3 | 42 | 151 | -121.6 | -70.1 | 0 | 0 | 0 | 115.1 | ||||
| 4 | W | 35.4 | Very low | 34.8 | Very low | 87 Ų | 87 | 113.4 Ų | 113.4 | 33% | 0.33 | 59% | 0.591 | S | S | . | * | trans | -147.4 | 65.6 | 172.8 | -131.9 | -53.8 | 0 | 0 | 0 | 116.3 | K114 L117 | W4-K114 HydrophobicContact CD2-CG 4.42Å; W4-K114 HydrophobicContact CG-CD 4.03Å; W4-K114 HydrophobicContact CG-CG 4.15Å; W4-K114 PolarHBondContact O-NZ 2.84Å; W4-L117 HydrophobicContact CH2-CB 3.49Å; W4-L117 VanDerWaalsContact CH2-CB 3.49Å; W4-L117 HydrophobicContact CH2-CD1 4.05Å; W4-L117 HydrophobicContact CH2-CG 4.37Å; W4-L117 HydrophobicContact CZ2-CB 3.74Å; W4-L117 HydrophobicContact CZ2-CD1 3.66Å; W4-L117 HydrophobicContact CZ2-CG 4.36Å; W4-L117 HydrophobicContact CZ3-CB 4.4Å | ||
| 5 | P | 38.2 | Very low | 35.7 | Very low | 66 Ų | 66 | 113 Ų | 113 | 43% | 0.429 | 59% | 0.589 | S | S | . | * | trans | -57.1 | 145.1 | 172.3 | -21 | 33.8 | 0 | 0 | 0 | 112.3 | L7 L1367 | P5-L7 PolarHBondContact O-N 3.34Å; P5-L1367 HydrophobicContact CG-CD1 4Å | ||
| 6 | R | 32.4 | Very low | 36.6 | Very low | 227 Ų | 227 | 113 Ų | 113 | 86% | 0.857 | 59% | 0.589 | S | S | * | * | trans | -75.8 | 111.3 | 169.4 | -70.7 | 172.9 | 170.1 | 155.3 | -5.7 | 108.6 | ||||
| 7 | L | 33.3 | Very low | 37.9 | Very low | 85 Ų | 85 | 116.5 Ų | 116.5 | 45% | 0.445 | 59% | 0.593 | S | S | . | * | trans | -124.7 | 127.2 | 170.6 | -93.9 | 164.3 | 0 | 0 | 0 | 110.6 | P5 T1371 M1374 | P5-L7 PolarHBondContact O-N 3.34Å; L7-T1371 HydrophobicContact CD2-CG2 3.85Å; L7-T1371 HydrophobicContact CG-CG2 4.49Å; L7-M1374 HydrophobicContact CD2-CG 4.5Å | ||
| 8 | H | 36.4 | Very low | 39.3 | Very low | 148 Ų | 148 | 115.4 Ų | 115.4 | 69% | 0.685 | 59% | 0.588 | S | S | * | * | trans | -99 | 110.2 | -166.2 | -141.5 | -129.3 | 0 | 0 | 0 | 109.7 | S10 | H8-S10 VanDerWaalsContact C-N 3.3Å; H8-S10 PolarHBondContact O-N 3.27Å; H8-S10 PolarHBondContact O-OG 2.86Å | ||
| 9 | S | 31.3 | Very low | 40.7 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 85% | 0.853 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 47.1 | -18.3 | 156 | -154.9 | 0 | 0 | 0 | 0 | 124 | ||
| 10 | S | 32.5 | Very low | 42.3 | Very low | 50 Ų | 50 | 116.1 Ų | 116.1 | 35% | 0.35 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -140.7 | -17.1 | -145.7 | 55 | 0 | 0 | 0 | 0 | 118.7 | H8 T1378 | H8-S10 VanDerWaalsContact C-N 3.3Å; H8-S10 PolarHBondContact O-N 3.27Å; H8-S10 PolarHBondContact O-OG 2.86Å; S10-T1378 VanDerWaalsContact CB-OG1 3.25Å; S10-T1378 WeakPolarHBondContact CB-OG1 3.13Å; S10-T1378 WeakPolarHBondContact OG-CB 3.43Å; S10-T1378 WeakPolarHBondContact OG-CG2 3.42Å; S10-T1378 PolarHBondContact OG-OG1 2.81Å |
| 11 | M | 32.5 | Very low | 44 | Very low | 65 Ų | 65 | 114.7 Ų | 114.7 | 32% | 0.32 | 57% | 0.574 | S | S | . | * | trans | -144.1 | 107 | 164.8 | -73.4 | -175.2 | 81.6 | 0 | 0 | 111 | M1374 L1377 | M11-M1374 HydrophobicContact CB-CB 4.18Å; M11-M1374 HydrophobicContact CB-CE 3.56Å; M11-M1374 HydrophobicContact CE-CE 3.75Å; M11-M1374 HydrophobicContact CG-CE 4.42Å; M11-M1374 HydrophobicContact SD-CE 4.02Å; M11-L1377 HydrophobicContact CE-CB 3.83Å; M11-L1377 HydrophobicContact CE-CD1 4.21Å; M11-L1377 HydrophobicContact SD-CB 3.24Å; M11-L1377 WeakPolarHBondContact SD-CB 3.42Å; M11-L1377 HydrophobicContact SD-CG 4.5Å | ||
| 12 | I | 38 | Very low | 46.3 | Very low | 89 Ų | 89 | 111.4 Ų | 111.4 | 46% | 0.456 | 55% | 0.549 | S | S | . | . | trans | -140.6 | 122.4 | 176.4 | -60.1 | -177.1 | 0 | 0 | 0 | 107.2 | L16 R17 | I12-L16 HydrophobicContact CG2-CB 3.4Å; I12-L16 VanDerWaalsContact CG2-CB 3.4Å; I12-R17 HydrophobicContact CG2-CB 4.45Å | ||
| 13 | S | 47 | Very low | 48.8 | Very low | 83 Ų | 83 | 110.9 Ų | 110.9 | 58% | 0.58 | 55% | 0.546 | S | S | * | . | trans | -60.2 | 147.6 | 173.5 | -169.5 | 0 | 0 | 0 | 0 | 110.3 | D15 L16 | S13-D15 PolarHBondContact O-N 3.33Å; S13-L16 PolarHBondContact O-N 2.9Å | ||
| 14 | G | 41 | Very low | 51.5 | Low | 47 Ų | 47 | 102.8 Ų | 102.8 | 49% | 0.485 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -48.1 | -43.2 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L16 R17 L18 | G14-L16 PolarHBondContact O-N 3.18Å; G14-R17 WeakPolarHBondContact O-CB 3.48Å; G14-R17 PolarHBondContact O-N 2.91Å; G14-R17 VanDerWaalsContact O-N 3.07Å; G14-L18 PolarHBondContact O-N 3.31Å |
| 15 | D | 48.2 | Very low | 54 | Low | 107 Ų | 107 | 103.6 Ų | 103.6 | 57% | 0.572 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.9 | -45.1 | -179.1 | -51.9 | -52.6 | 0 | 0 | 0 | 113.1 | S13 R17 L18 Y19 | S13-D15 PolarHBondContact O-N 3.33Å; D15-R17 VanDerWaalsContact C-N 3.27Å; D15-R17 PolarHBondContact O-N 3.14Å; D15-L18 WeakPolarHBondContact O-CB 3.16Å; D15-L18 PolarHBondContact O-N 3.46Å; D15-L18 VanDerWaalsContact O-N 3.16Å; D15-Y19 VanDerWaalsContact O-CD2 3.28Å; D15-Y19 WeakPolarHBondContact O-CD2 3.27Å; D15-Y19 PolarHBondContact O-N 3.3Å |
| 16 | L | 50 | Low | 56.4 | Low | 113 Ų | 113 | 104.6 Ų | 104.6 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -68.2 | -28.9 | 179.8 | -98.5 | 152.4 | 0 | 0 | 0 | 112 | I12 S13 G14 F20 | I12-L16 HydrophobicContact CG2-CB 3.4Å; I12-L16 VanDerWaalsContact CG2-CB 3.4Å; S13-L16 PolarHBondContact O-N 2.9Å; G14-L16 PolarHBondContact O-N 3.18Å; L16-F20 VanDerWaalsContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CB 3.12Å; L16-F20 PolarHBondContact O-N 2.8Å |
| 17 | R | 57.5 | Low | 59.2 | Low | 172 Ų | 172 | 95.5 Ų | 95.5 | 65% | 0.649 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -73.1 | -36.7 | 172 | -163.6 | 177.3 | -173.6 | -176.1 | 1.6 | 111.5 | I12 G14 D15 F20 N21 | I12-R17 HydrophobicContact CG2-CB 4.45Å; G14-R17 WeakPolarHBondContact O-CB 3.48Å; G14-R17 PolarHBondContact O-N 2.91Å; G14-R17 VanDerWaalsContact O-N 3.07Å; D15-R17 VanDerWaalsContact C-N 3.27Å; D15-R17 PolarHBondContact O-N 3.14Å; R17-F20 PolarHBondContact O-N 3.3Å; R17-N21 WeakPolarHBondContact O-CB 3.29Å; R17-N21 PolarHBondContact O-N 2.85Å; R17-N21 PolarHBondContact O-OD1 3.47Å |
| 18 | L | 63 | Low | 62 | Low | 97 Ų | 97 | 91.9 Ų | 91.9 | 51% | 0.508 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.7 | -46.7 | 171.7 | -68.4 | 172.9 | 0 | 0 | 0 | 111.5 | G14 D15 F20 N21 R22 | G14-L18 PolarHBondContact O-N 3.31Å; D15-L18 WeakPolarHBondContact O-CB 3.16Å; D15-L18 PolarHBondContact O-N 3.46Å; D15-L18 VanDerWaalsContact O-N 3.16Å; L18-F20 PolarHBondContact O-N 3.03Å; L18-N21 PolarHBondContact O-N 3.39Å; L18-R22 WeakPolarHBondContact O-CB 3.47Å; L18-R22 PolarHBondContact O-N 3.36Å |
| 19 | Y | 66.4 | Low | 64.5 | Low | 156 Ų | 156 | 88.8 Ų | 88.8 | 61% | 0.612 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -60.8 | -42.1 | 174.3 | -86.4 | -75.8 | 0 | 0 | 0 | 112.4 | D15 R22 N23 | D15-Y19 VanDerWaalsContact O-CD2 3.28Å; D15-Y19 WeakPolarHBondContact O-CD2 3.27Å; D15-Y19 PolarHBondContact O-N 3.3Å; Y19-R22 PolarHBondContact O-N 3.27Å; Y19-N23 PolarHBondContact O-N 2.94Å; Y19-N23 PolarHBondContact O-ND2 2.83Å |
| 20 | F | 72.1 | Confident | 67.3 | Low | 89 Ų | 89 | 85.3 Ų | 85.3 | 39% | 0.39 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.8 | -51.2 | 177.6 | -172.8 | -97 | 0 | 0 | 0 | 112 | L16 R17 L18 R22 N23 V24 L113 L117 | L16-F20 VanDerWaalsContact O-CB 3.29Å; L16-F20 WeakPolarHBondContact O-CB 3.12Å; L16-F20 PolarHBondContact O-N 2.8Å; R17-F20 PolarHBondContact O-N 3.3Å; L18-F20 PolarHBondContact O-N 3.03Å; F20-R22 VanDerWaalsContact C-N 3.3Å; F20-R22 PolarHBondContact O-N 3.45Å; F20-N23 PolarHBondContact O-N 3.09Å; F20-V24 HydrophobicContact CD1-CG2 4.37Å; F20-V24 HydrophobicContact CE1-CG2 4.08Å; F20-V24 HydrophobicContact CZ-CG2 4.45Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å; F20-V24 PolarHBondContact O-N 3.36Å; F20-L113 HydrophobicContact CE1-CD2 3.77Å; F20-L113 HydrophobicContact CZ-CD2 3.59Å; F20-L113 HydrophobicContact CZ-CG 4.2Å; F20-L117 HydrophobicContact CE2-CD1 4.43Å |
| 21 | N | 78.3 | Confident | 70.1 | Confident | 86 Ų | 86 | 82.9 Ų | 82.9 | 46% | 0.46 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 176.9 | -70.7 | -2.8 | 0 | 0 | 0 | 111.5 | R17 L18 N23 V24 Q25 | R17-N21 WeakPolarHBondContact O-CB 3.29Å; R17-N21 PolarHBondContact O-N 2.85Å; R17-N21 PolarHBondContact O-OD1 3.47Å; L18-N21 PolarHBondContact O-N 3.39Å; N21-N23 PolarHBondContact O-N 2.98Å; N21-V24 PolarHBondContact O-N 3.48Å; N21-Q25 WeakPolarHBondContact O-CB 3.3Å; N21-Q25 PolarHBondContact O-N 3.25Å |
| 22 | R | 80 | Confident | 72.9 | Confident | 169 Ų | 169 | 80.8 Ų | 80.8 | 64% | 0.638 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.4 | -39.1 | 177.2 | -170.4 | 175 | -173 | 174.6 | 3.1 | 112.1 | L18 Y19 F20 Q25 I26 | L18-R22 WeakPolarHBondContact O-CB 3.47Å; L18-R22 PolarHBondContact O-N 3.36Å; Y19-R22 PolarHBondContact O-N 3.27Å; F20-R22 VanDerWaalsContact C-N 3.3Å; F20-R22 PolarHBondContact O-N 3.45Å; R22-Q25 PolarHBondContact O-N 3Å; R22-I26 HydrophobicContact CG-CD1 4.05Å; R22-I26 WeakPolarHBondContact O-CB 3.44Å; R22-I26 WeakPolarHBondContact O-CD1 3.24Å; R22-I26 WeakPolarHBondContact O-CG1 3.34Å; R22-I26 PolarHBondContact O-N 2.87Å |
| 23 | N | 80.7 | Confident | 75.4 | Confident | 75 Ų | 75 | 82.1 Ų | 82.1 | 40% | 0.401 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174.3 | -73 | -23.7 | 0 | 0 | 0 | 112 | Y19 F20 N21 Q25 I26 Y27 | Y19-N23 PolarHBondContact O-N 2.94Å; Y19-N23 PolarHBondContact O-ND2 2.83Å; F20-N23 PolarHBondContact O-N 3.09Å; N21-N23 PolarHBondContact O-N 2.98Å; N23-Q25 VanDerWaalsContact C-N 3.34Å; N23-I26 PolarHBondContact O-N 2.78Å; N23-Y27 WeakPolarHBondContact O-CD2 3.47Å; N23-Y27 PolarHBondContact O-N 3.41Å |
| 24 | V | 87.6 | Confident | 77.5 | Confident | 26 Ų | 26 | 80 Ų | 80 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -62 | -42.9 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 111 | F20 N21 Y27 T28 L47 L113 L117 | F20-V24 HydrophobicContact CD1-CG2 4.37Å; F20-V24 HydrophobicContact CE1-CG2 4.08Å; F20-V24 HydrophobicContact CZ-CG2 4.45Å; F20-V24 WeakPolarHBondContact O-CG2 3.4Å; F20-V24 PolarHBondContact O-N 3.36Å; N21-V24 PolarHBondContact O-N 3.48Å; V24-Y27 PolarHBondContact O-N 3.04Å; V24-T28 WeakPolarHBondContact O-CB 3.43Å; V24-T28 PolarHBondContact O-N 3.35Å; V24-T28 PolarHBondContact O-OG1 3.34Å; V24-L47 HydrophobicContact CG1-CB 4.12Å; V24-L47 HydrophobicContact CG1-CD2 4.17Å; V24-L113 HydrophobicContact CG2-CD1 4.47Å; V24-L113 HydrophobicContact CG2-CD2 4.14Å; V24-L117 HydrophobicContact CG2-CD1 4.17Å; V24-L117 HydrophobicContact CG2-CD2 4.45Å |
| 25 | Q | 87.5 | Confident | 79.8 | Confident | 103 Ų | 103 | 77.9 Ų | 77.9 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.5 | -48.8 | 176.1 | -166.2 | 66.6 | 49 | 0 | 0 | 111.4 | N21 R22 N23 Y27 T28 D29 | N21-Q25 WeakPolarHBondContact O-CB 3.3Å; N21-Q25 PolarHBondContact O-N 3.25Å; R22-Q25 PolarHBondContact O-N 3Å; N23-Q25 VanDerWaalsContact C-N 3.34Å; Q25-Y27 VanDerWaalsContact C-N 3.31Å; Q25-Y27 PolarHBondContact O-N 2.99Å; Q25-T28 CarbonylContact O-C 3.56Å; Q25-T28 WeakPolarHBondContact O-CA 3.27Å; Q25-T28 WeakPolarHBondContact O-CB 3.49Å; Q25-T28 PolarHBondContact O-N 3.2Å; Q25-D29 PolarHBondContact NE2-OD1 3.23Å; Q25-D29 PolarHBondContact O-N 2.98Å |
| 26 | I | 88.4 | Confident | 81.8 | Confident | 88 Ų | 88 | 78.3 Ų | 78.3 | 45% | 0.451 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.1 | -43.2 | 179.2 | -73.8 | 163.2 | 0 | 0 | 0 | 112.1 | R22 N23 W30 | R22-I26 HydrophobicContact CG-CD1 4.05Å; R22-I26 WeakPolarHBondContact O-CB 3.44Å; R22-I26 WeakPolarHBondContact O-CD1 3.24Å; R22-I26 WeakPolarHBondContact O-CG1 3.34Å; R22-I26 PolarHBondContact O-N 2.87Å; N23-I26 PolarHBondContact O-N 2.78Å; I26-W30 WeakPolarHBondContact O-CB 3.36Å; I26-W30 PolarHBondContact O-N 3.22Å |
| 27 | Y | 91.9 | Very high | 83.5 | Confident | 35 Ų | 35 | 80.8 Ų | 80.8 | 14% | 0.137 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -74.6 | -28.6 | 176.7 | -71.4 | -65.5 | 0 | 0 | 0 | 113.4 | N23 V24 Q25 A31 L117 F120 | N23-Y27 WeakPolarHBondContact O-CD2 3.47Å; N23-Y27 PolarHBondContact O-N 3.41Å; V24-Y27 PolarHBondContact O-N 3.04Å; Q25-Y27 VanDerWaalsContact C-N 3.31Å; Q25-Y27 PolarHBondContact O-N 2.99Å; Y27-A31 VanDerWaalsContact O-CB 3.31Å; Y27-A31 WeakPolarHBondContact O-CB 3.41Å; Y27-A31 PolarHBondContact O-N 3.44Å; Y27-L117 HydrophobicContact CD2-CD2 3.49Å; Y27-L117 VanDerWaalsContact CD2-CD2 3.49Å; Y27-L117 HydrophobicContact CE2-CD2 4.09Å; Y27-L117 HydrophobicContact CG-CD2 4.27Å; Y27-F120 HydrophobicContact CD1-CB 3.7Å; Y27-F120 HydrophobicContact CD1-CD1 4.28Å; Y27-F120 HydrophobicContact CD1-CG 4.45Å; Y27-F120 HydrophobicContact CE1-CB 4.04Å; Y27-F120 HydrophobicContact CG-CB 4.09Å |
| 28 | T | 91.5 | Very high | 84.9 | Confident | 10 Ų | 10 | 76.4 Ų | 76.4 | 6% | 0.061 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -68.2 | -48.3 | 174.2 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | V24 Q25 A31 N32 I44 | V24-T28 WeakPolarHBondContact O-CB 3.43Å; V24-T28 PolarHBondContact O-N 3.35Å; V24-T28 PolarHBondContact O-OG1 3.34Å; Q25-T28 CarbonylContact O-C 3.56Å; Q25-T28 WeakPolarHBondContact O-CA 3.27Å; Q25-T28 WeakPolarHBondContact O-CB 3.49Å; Q25-T28 PolarHBondContact O-N 3.2Å; T28-A31 PolarHBondContact O-N 2.79Å; T28-N32 WeakPolarHBondContact O-CB 3.39Å; T28-N32 PolarHBondContact O-N 3.16Å; T28-I44 HydrophobicContact CG2-CB 4.11Å; T28-I44 HydrophobicContact CG2-CG2 3.89Å |
| 29 | D | 89.9 | Confident | 85.8 | Confident | 82 Ų | 82 | 80.5 Ų | 80.5 | 44% | 0.439 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 176.8 | -58.6 | -17.2 | 0 | 0 | 0 | 110.9 | Q25 A31 N32 Q33 | Q25-D29 PolarHBondContact NE2-OD1 3.23Å; Q25-D29 PolarHBondContact O-N 2.98Å; D29-A31 VanDerWaalsContact C-N 3.35Å; D29-A31 PolarHBondContact O-N 3.42Å; D29-N32 PolarHBondContact O-N 2.94Å; D29-Q33 WeakPolarHBondContact O-CB 3.38Å; D29-Q33 PolarHBondContact O-N 3.08Å |
| 30 | W | 89.9 | Confident | 86.7 | Confident | 49 Ų | 49 | 76 Ų | 76 | 19% | 0.186 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 175.6 | -179 | 85.1 | 0 | 0 | 0 | 112.4 | I26 Y34 V64 F120 L123 K127 | I26-W30 WeakPolarHBondContact O-CB 3.36Å; I26-W30 PolarHBondContact O-N 3.22Å; W30-Y34 HydrophobicContact CD2-CD2 4.46Å; W30-Y34 HydrophobicContact CD2-CE2 4.04Å; W30-Y34 AromaticContact CE2-CE2 3.69Å; W30-Y34 HydrophobicContact CG-CE2 4.33Å; W30-Y34 HydrophobicContact CZ2-CE2 4.06Å; W30-Y34 AromaticContact NE1-CE2 3.74Å; W30-Y34 WeakPolarHBondContact O-CD2 3.19Å; W30-Y34 WeakPolarHBondContact O-CE2 3.47Å; W30-V64 HydrophobicContact CH2-CG1 4.07Å; W30-V64 HydrophobicContact CH2-CG2 4.05Å; W30-V64 HydrophobicContact CZ3-CG2 4.26Å; W30-F120 AromaticContact CE3-CD1 3.8Å; W30-F120 HydrophobicContact CE3-CD1 3.8Å; W30-F120 HydrophobicContact CE3-CE1 4.04Å; W30-F120 AromaticContact CZ3-CD1 3.64Å; W30-F120 HydrophobicContact CZ3-CD1 3.64Å; W30-F120 AromaticContact CZ3-CE1 3.87Å; W30-F120 HydrophobicContact CZ3-CE1 3.87Å; W30-L123 HydrophobicContact CH2-CD2 4.23Å; W30-L123 HydrophobicContact CH2-CG 4.37Å; W30-L123 HydrophobicContact CZ3-CD2 4.45Å; W30-K127 HydrophobicContact CZ2-CD 4.3Å |
| 31 | A | 91.2 | Very high | 86.7 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.8 | -47 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y27 T28 D29 Q33 Y34 L35 I44 F120 | Y27-A31 VanDerWaalsContact O-CB 3.31Å; Y27-A31 WeakPolarHBondContact O-CB 3.41Å; Y27-A31 PolarHBondContact O-N 3.44Å; T28-A31 PolarHBondContact O-N 2.79Å; D29-A31 VanDerWaalsContact C-N 3.35Å; D29-A31 PolarHBondContact O-N 3.42Å; A31-Q33 VanDerWaalsContact C-N 3.28Å; A31-Q33 PolarHBondContact O-N 3.49Å; A31-Y34 PolarHBondContact O-N 2.87Å; A31-L35 PolarHBondContact O-N 3.43Å; A31-L35 VanDerWaalsContact O-N 3.14Å; A31-I44 HydrophobicContact CB-CD1 3.48Å; A31-I44 VanDerWaalsContact CB-CD1 3.48Å; A31-F120 HydrophobicContact CB-CE1 3.86Å |
| 32 | N | 91.8 | Very high | 87 | Confident | 20 Ų | 20 | 78.9 Ų | 78.9 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -61.1 | -37.3 | 179.1 | -73.9 | -16.8 | 0 | 0 | 0 | 111.4 | T28 D29 Y34 L35 E36 I44 | T28-N32 WeakPolarHBondContact O-CB 3.39Å; T28-N32 PolarHBondContact O-N 3.16Å; D29-N32 PolarHBondContact O-N 2.94Å; N32-Y34 PolarHBondContact O-N 3.29Å; N32-L35 PolarHBondContact O-N 2.88Å; N32-E36 WeakPolarHBondContact O-CB 3.39Å; N32-E36 VanDerWaalsContact O-CG 3.29Å; N32-E36 WeakPolarHBondContact O-CG 3.37Å; N32-E36 PolarHBondContact O-N 3.05Å; N32-I44 PolarHBondContact ND2-O 3.1Å; N32-I44 WeakPolarHBondContact OD1-CB 3.18Å; N32-I44 PolarHBondContact OD1-N 2.77Å |
| 33 | Q | 90.1 | Very high | 87.4 | Confident | 118 Ų | 118 | 73.9 Ų | 73.9 | 55% | 0.551 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -56.1 | -32.9 | 173.2 | -175.5 | 175.8 | 63.5 | 0 | 0 | 113.6 | D29 A31 K37 | D29-Q33 WeakPolarHBondContact O-CB 3.38Å; D29-Q33 PolarHBondContact O-N 3.08Å; A31-Q33 VanDerWaalsContact C-N 3.28Å; A31-Q33 PolarHBondContact O-N 3.49Å; Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 PolarHBondContact O-N 2.77Å |
| 34 | Y | 89.7 | Confident | 87.8 | Confident | 39 Ų | 39 | 70.6 Ų | 70.6 | 15% | 0.153 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -81.7 | -33.2 | 174.3 | -69 | -70.9 | 0 | 0 | 0 | 113 | W30 A31 N32 N38 V64 K127 | W30-Y34 HydrophobicContact CD2-CD2 4.46Å; W30-Y34 HydrophobicContact CD2-CE2 4.04Å; W30-Y34 AromaticContact CE2-CE2 3.69Å; W30-Y34 HydrophobicContact CG-CE2 4.33Å; W30-Y34 HydrophobicContact CZ2-CE2 4.06Å; W30-Y34 AromaticContact NE1-CE2 3.74Å; W30-Y34 WeakPolarHBondContact O-CD2 3.19Å; W30-Y34 WeakPolarHBondContact O-CE2 3.47Å; A31-Y34 PolarHBondContact O-N 2.87Å; N32-Y34 PolarHBondContact O-N 3.29Å; Y34-N38 PolarHBondContact O-N 2.8Å; Y34-N38 PolarHBondContact O-ND2 2.72Å; Y34-V64 HydrophobicContact CD2-CG2 3.75Å; Y34-V64 HydrophobicContact CE2-CG2 4.37Å; Y34-V64 HydrophobicContact CG-CG2 3.9Å; Y34-K127 WeakPolarHBondContact OH-CE 3.37Å |
| 35 | L | 90.2 | Very high | 87.8 | Confident | 2 Ų | 2 | 80.7 Ų | 80.7 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.6 | -46.7 | 176.6 | -67.7 | 170.9 | 0 | 0 | 0 | 111.5 | A31 N32 N38 Q39 K40 L43 I44 D59 I60 | A31-L35 PolarHBondContact O-N 3.43Å; A31-L35 VanDerWaalsContact O-N 3.14Å; N32-L35 PolarHBondContact O-N 2.88Å; L35-N38 CarbonylContact O-C 3.59Å; L35-N38 PolarHBondContact O-N 2.76Å; L35-Q39 PolarHBondContact O-N 3.22Å; L35-Q39 VanDerWaalsContact O-N 3.09Å; L35-K40 HydrophobicContact CB-CB 4.09Å; L35-K40 HydrophobicContact CD2-CB 3.82Å; L35-K40 HydrophobicContact CD2-CG 3.92Å; L35-K40 PolarHBondContact O-N 3.45Å; L35-L43 HydrophobicContact CB-CD2 3.9Å; L35-I44 HydrophobicContact CD1-CG1 4.12Å; L35-D59 HydrophobicContact CD2-CB 4.33Å; L35-I60 HydrophobicContact CD1-CD1 4.4Å; L35-I60 HydrophobicContact CD1-CG1 3.97Å; L35-I60 HydrophobicContact CD2-CG1 3.91Å; L35-I60 HydrophobicContact CG-CG1 4.1Å |
| 36 | E | 89.6 | Confident | 87.8 | Confident | 115 Ų | 115 | 78.5 Ų | 78.5 | 54% | 0.537 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 174.7 | -69.5 | 169.3 | -171.3 | 0 | 0 | 111.4 | N32 N38 Q39 L43 | N32-E36 WeakPolarHBondContact O-CB 3.39Å; N32-E36 VanDerWaalsContact O-CG 3.29Å; N32-E36 WeakPolarHBondContact O-CG 3.37Å; N32-E36 PolarHBondContact O-N 3.05Å; E36-N38 PolarHBondContact O-N 2.9Å; E36-Q39 PolarHBondContact O-N 3.1Å; E36-L43 HydrophobicContact CG-CD1 4.11Å; E36-L43 HydrophobicContact CG-CD2 3.65Å |
| 37 | K | 86.4 | Confident | 87.8 | Confident | 166 Ų | 166 | 74.4 Ų | 74.4 | 72% | 0.722 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61 | -27.3 | 178.7 | -176.8 | 170.7 | -178.3 | 178.1 | 0 | 113.4 | Q33 | Q33-K37 WeakPolarHBondContact O-CB 3.36Å; Q33-K37 PolarHBondContact O-N 2.77Å |
| 38 | N | 85.7 | Confident | 87.6 | Confident | 80 Ų | 80 | 76.7 Ų | 76.7 | 43% | 0.428 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 18.1 | 176.9 | -65.3 | -83.5 | 0 | 0 | 0 | 112.6 | Y34 L35 E36 K40 C63 | Y34-N38 PolarHBondContact O-N 2.8Å; Y34-N38 PolarHBondContact O-ND2 2.72Å; L35-N38 CarbonylContact O-C 3.59Å; L35-N38 PolarHBondContact O-N 2.76Å; E36-N38 PolarHBondContact O-N 2.9Å; N38-K40 HydrophobicContact CB-CG 4.47Å; N38-K40 PolarHBondContact O-N 3.04Å; N38-K40 VanDerWaalsContact O-N 3.11Å; N38-C63 HydrophobicContact CB-CB 4.49Å; N38-C63 VanDerWaalsContact CB-SG 3.53Å; N38-C63 WeakPolarHBondContact ND2-CB 3.3Å |
| 39 | Q | 83.6 | Confident | 87.4 | Confident | 182 Ų | 182 | 82.7 Ų | 82.7 | 85% | 0.85 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 27.9 | 175.5 | -55.5 | -177.8 | 4.1 | 0 | 0 | 114.8 | L35 E36 S41 | L35-Q39 PolarHBondContact O-N 3.22Å; L35-Q39 VanDerWaalsContact O-N 3.09Å; E36-Q39 PolarHBondContact O-N 3.1Å; Q39-S41 PolarHBondContact O-N 3.27Å |
| 40 | K | 83.9 | Confident | 87.4 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 27% | 0.274 | 37% | 0.371 | S | S | . | . | trans | -73.9 | 120.2 | 176.2 | -65.7 | -69.1 | -166 | 160.4 | 0 | 109.8 | L35 N38 R42 D59 | L35-K40 HydrophobicContact CB-CB 4.09Å; L35-K40 HydrophobicContact CD2-CB 3.82Å; L35-K40 HydrophobicContact CD2-CG 3.92Å; L35-K40 PolarHBondContact O-N 3.45Å; N38-K40 HydrophobicContact CB-CG 4.47Å; N38-K40 PolarHBondContact O-N 3.04Å; N38-K40 VanDerWaalsContact O-N 3.11Å; K40-R42 VanDerWaalsContact C-N 3.32Å; K40-R42 PolarHBondContact O-N 2.98Å; K40-D59 HydrophobicContact CD-CB 4.47Å; K40-D59 WeakPolarHBondContact CD-OD2 3.44Å; K40-D59 WeakPolarHBondContact CE-OD2 3.4Å; K40-D59 IonicContact NZ-OD1 2.77Å; K40-D59 PolarHBondContact NZ-OD1 3.29Å; K40-D59 IonicContact NZ-OD2 2.66Å; K40-D59 PolarHBondContact NZ-OD2 2.69Å | ||
| 41 | S | 73.5 | Confident | 87.3 | Confident | 129 Ų | 129 | 77.6 Ų | 77.6 | 90% | 0.902 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -71.2 | -17.8 | -171.5 | 57.5 | 0 | 0 | 0 | 0 | 115.6 | Q39 | Q39-S41 PolarHBondContact O-N 3.27Š|
| 42 | R | 83.9 | Confident | 87.1 | Confident | 106 Ų | 106 | 81.1 Ų | 81.1 | 40% | 0.4 | 38% | 0.379 | S | S | . | . | trans | -101.7 | 99.6 | 177.2 | -176.5 | 174.5 | 172.9 | -165.1 | -6.6 | 111.1 | K40 D50 D53 V56 | K40-R42 VanDerWaalsContact C-N 3.32Å; K40-R42 PolarHBondContact O-N 2.98Å; R42-D50 IonicContact CZ-OD1 2.8Å; R42-D50 IonicContact NE-OD1 3.79Å; R42-D50 PolarHBondContact NE-OD1 3.04Å; R42-D50 IonicContact NH2-OD1 3.65Å; R42-D50 PolarHBondContact NH2-OD1 3.29Å; R42-D53 IonicContact CZ-OD2 2.72Å; R42-D53 IonicContact NH1-OD2 3.54Å; R42-D53 PolarHBondContact NH1-OD2 3.2Å; R42-V56 VanDerWaalsContact CZ-CG2 3.44Å | ||
| 43 | L | 87.9 | Confident | 86.9 | Confident | 64 Ų | 64 | 82.7 Ų | 82.7 | 34% | 0.335 | 39% | 0.388 | S | S | . | . | trans | -81.6 | 148.3 | 169.7 | -54.6 | -177.9 | 0 | 0 | 0 | 111.2 | L35 E36 | L35-L43 HydrophobicContact CB-CD2 3.9Å; E36-L43 HydrophobicContact CG-CD1 4.11Å; E36-L43 HydrophobicContact CG-CD2 3.65Å | ||
| 44 | I | 89.4 | Confident | 86.9 | Confident | 5 Ų | 5 | 77 Ų | 77 | 3% | 0.026 | 36% | 0.361 | C | S | . | . | trans | -69.8 | 130.7 | 174.7 | -54.6 | -179 | 0 | 0 | 0 | 109.2 | T28 A31 N32 L35 L47 D50 V56 I60 | T28-I44 HydrophobicContact CG2-CB 4.11Å; T28-I44 HydrophobicContact CG2-CG2 3.89Å; A31-I44 HydrophobicContact CB-CD1 3.48Å; A31-I44 VanDerWaalsContact CB-CD1 3.48Å; N32-I44 PolarHBondContact ND2-O 3.1Å; N32-I44 WeakPolarHBondContact OD1-CB 3.18Å; N32-I44 PolarHBondContact OD1-N 2.77Å; L35-I44 HydrophobicContact CD1-CG1 4.12Å; I44-L47 HydrophobicContact CD1-CD1 4.06Å; I44-L47 HydrophobicContact CG2-CB 4.44Å; I44-L47 HydrophobicContact CG2-CD1 4.25Å; I44-D50 HydrophobicContact CG2-CB 4.12Å; I44-V56 HydrophobicContact CG1-CG1 4.45Å; I44-I60 HydrophobicContact CD1-CD1 3.58Å; I44-I60 HydrophobicContact CG1-CD1 4.27Å | ||
| 45 | R | 88.2 | Confident | 86.9 | Confident | 238 Ų | 238 | 77.1 Ų | 77.1 | 90% | 0.898 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -113.6 | -31.5 | 171.3 | -62.9 | -177.9 | -179.9 | -175.8 | 0 | 112.3 | D50 | R45-D50 PolarHBondContact N-OD2 3.39Š|
| 46 | D | 87.4 | Confident | 86.9 | Confident | 58 Ų | 58 | 77.4 Ų | 77.4 | 31% | 0.31 | 37% | 0.366 | S | S | . | . | trans | -136 | 103 | 175.3 | -178.5 | -24.3 | 0 | 0 | 0 | 108.5 | Q48 K49 D50 | D46-Q48 PolarHBondContact O-N 2.98Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.46Å; D46-Q48 PolarHBondContact OD1-N 3.47Å; D46-K49 HydrophobicContact CB-CB 4.15Å; D46-K49 HydrophobicContact CB-CG 4.32Å; D46-K49 PolarHBondContact O-N 3.24Å; D46-K49 PolarHBondContact OD1-N 3.44Å; D46-K49 WeakPolarHBondContact OD2-CG 3.44Å; D46-K49 IonicContact OD2-NZ 3.44Å; D46-K49 PolarHBondContact OD2-NZ 3.27Å; D46-D50 PolarHBondContact N-OD2 2.72Å; D46-D50 PolarHBondContact O-N 3.03Å | ||
| 47 | L | 88.3 | Confident | 87 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -53.7 | -26.3 | -178.4 | -164.8 | 71.8 | 0 | 0 | 0 | 112.9 | V24 I44 L51 L113 I116 L117 | V24-L47 HydrophobicContact CG1-CB 4.12Å; V24-L47 HydrophobicContact CG1-CD2 4.17Å; I44-L47 HydrophobicContact CD1-CD1 4.06Å; I44-L47 HydrophobicContact CG2-CB 4.44Å; I44-L47 HydrophobicContact CG2-CD1 4.25Å; L47-L51 HydrophobicContact CD1-CD1 3.56Å; L47-L51 HydrophobicContact CD1-CG 4.45Å; L47-L51 HydrophobicContact CG-CD1 3.94Å; L47-L51 WeakPolarHBondContact O-CD1 3.48Å; L47-L113 HydrophobicContact CD2-CD1 4.34Å; L47-I116 HydrophobicContact CD2-CG2 4.24Å; L47-I116 HydrophobicContact CG-CG2 4.02Å; L47-L117 HydrophobicContact CD2-CD2 3.71Å |
| 48 | Q | 87.2 | Confident | 87.2 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 38% | 0.383 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -84.5 | -24 | 178.9 | -156.7 | -173.3 | -65.9 | 0 | 0 | 113.1 | D46 Q52 G111 L113 | D46-Q48 PolarHBondContact O-N 2.98Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.46Å; D46-Q48 PolarHBondContact OD1-N 3.47Å; Q48-Q52 WeakPolarHBondContact O-CG 3.43Å; Q48-Q52 PolarHBondContact O-NE2 2.75Å; Q48-G111 WeakPolarHBondContact CG-O 3.3Å; Q48-G111 PolarHBondContact NE2-O 3.29Å; Q48-L113 HydrophobicContact CB-CD1 4.41Å; Q48-L113 HydrophobicContact CG-CB 4.1Å |
| 49 | K | 88.1 | Confident | 87.5 | Confident | 136 Ų | 136 | 61.8 Ų | 61.8 | 59% | 0.591 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -98.1 | -48 | 179.4 | -64.7 | -170.2 | -173.3 | 86.6 | 0 | 112.9 | D46 L51 Q52 | D46-K49 HydrophobicContact CB-CB 4.15Å; D46-K49 HydrophobicContact CB-CG 4.32Å; D46-K49 PolarHBondContact O-N 3.24Å; D46-K49 PolarHBondContact OD1-N 3.44Å; D46-K49 WeakPolarHBondContact OD2-CG 3.44Å; D46-K49 IonicContact OD2-NZ 3.44Å; D46-K49 PolarHBondContact OD2-NZ 3.27Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 2.88Å; K49-Q52 WeakPolarHBondContact O-CB 3.42Å; K49-Q52 PolarHBondContact O-N 2.86Å |
| 50 | D | 90 | Very high | 87.9 | Confident | 23 Ų | 23 | 53.1 Ų | 53.1 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.4 | -31.3 | -173.5 | -76.1 | -56.2 | 0 | 0 | 0 | 112.5 | R42 I44 R45 D46 Q52 D53 V56 | R42-D50 IonicContact CZ-OD1 2.8Å; R42-D50 IonicContact NE-OD1 3.79Å; R42-D50 PolarHBondContact NE-OD1 3.04Å; R42-D50 IonicContact NH2-OD1 3.65Å; R42-D50 PolarHBondContact NH2-OD1 3.29Å; I44-D50 HydrophobicContact CG2-CB 4.12Å; R45-D50 PolarHBondContact N-OD2 3.39Å; D46-D50 PolarHBondContact N-OD2 2.72Å; D46-D50 PolarHBondContact O-N 3.03Å; D50-Q52 VanDerWaalsContact C-N 3.34Å; D50-Q52 PolarHBondContact O-N 3.19Å; D50-D53 WeakPolarHBondContact O-CB 3.33Å; D50-D53 PolarHBondContact O-N 2.91Å; D50-V56 WeakPolarHBondContact O-CB 3.42Å |
| 51 | L | 88.1 | Confident | 88.2 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -3.5 | 177.9 | -69.8 | 175.2 | 0 | 0 | 0 | 115.2 | L47 K49 V56 L57 I60 I116 F120 | L47-L51 HydrophobicContact CD1-CD1 3.56Å; L47-L51 HydrophobicContact CD1-CG 4.45Å; L47-L51 HydrophobicContact CG-CD1 3.94Å; L47-L51 WeakPolarHBondContact O-CD1 3.48Å; K49-L51 VanDerWaalsContact C-N 3.27Å; K49-L51 PolarHBondContact O-N 2.88Å; L51-V56 HydrophobicContact CD2-CG1 4.32Å; L51-L57 HydrophobicContact CD2-CD1 4.34Å; L51-I60 HydrophobicContact CD2-CD1 3.55Å; L51-I116 HydrophobicContact CB-CD1 4.33Å; L51-I116 HydrophobicContact CD1-CG2 3.52Å; L51-F120 HydrophobicContact CD1-CD2 4.2Å; L51-F120 HydrophobicContact CD1-CE2 3.38Å; L51-F120 HydrophobicContact CD1-CZ 3.81Å; L51-F120 HydrophobicContact CD2-CE2 4.16Å; L51-F120 HydrophobicContact CD2-CZ 4.15Å; L51-F120 HydrophobicContact CG-CE2 4.45Å |
| 52 | Q | 86.4 | Confident | 89 | Confident | 75 Ų | 75 | 45.1 Ų | 45.1 | 35% | 0.35 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23 | 166.4 | -59.7 | 178.1 | 28.9 | 0 | 0 | 110.6 | Q48 K49 D50 S54 H109 | Q48-Q52 WeakPolarHBondContact O-CG 3.43Å; Q48-Q52 PolarHBondContact O-NE2 2.75Å; K49-Q52 WeakPolarHBondContact O-CB 3.42Å; K49-Q52 PolarHBondContact O-N 2.86Å; D50-Q52 VanDerWaalsContact C-N 3.34Å; D50-Q52 PolarHBondContact O-N 3.19Å; Q52-S54 PolarHBondContact O-N 3.14Å; Q52-H109 WeakPolarHBondContact CG-O 3.47Å |
| 53 | D | 87.7 | Confident | 89.2 | Confident | 52 Ų | 52 | 40.5 Ų | 40.5 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | S | Bend | trans | -78.3 | 111.6 | 171.7 | -170.7 | -17.5 | 0 | 0 | 0 | 110.4 | R42 D50 I55 V56 L57 | R42-D53 IonicContact CZ-OD2 2.72Å; R42-D53 IonicContact NH1-OD2 3.54Å; R42-D53 PolarHBondContact NH1-OD2 3.2Å; D50-D53 WeakPolarHBondContact O-CB 3.33Å; D50-D53 PolarHBondContact O-N 2.91Å; D53-I55 PolarHBondContact O-N 3.47Å; D53-I55 VanDerWaalsContact O-N 3.1Å; D53-I55 WeakPolarHBondContact OD1-CB 3.44Å; D53-I55 PolarHBondContact OD1-N 2.79Å; D53-V56 HydrophobicContact CB-CB 4.44Å; D53-V56 HydrophobicContact CB-CG2 4.09Å; D53-V56 PolarHBondContact O-N 2.71Å; D53-V56 VanDerWaalsContact O-N 3.13Å; D53-L57 PolarHBondContact O-N 3.41Å |
| 54 | S | 89.1 | Confident | 89.2 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56 | -26.4 | 177.6 | 69.1 | 0 | 0 | 0 | 0 | 113.7 | Q52 L57 I58 N85 | Q52-S54 PolarHBondContact O-N 3.14Å; S54-L57 PolarHBondContact O-N 3.11Å; S54-I58 VanDerWaalsContact O-CD1 3.3Å; S54-I58 WeakPolarHBondContact O-CD1 3.35Å; S54-I58 WeakPolarHBondContact O-CG1 3.46Å; S54-I58 PolarHBondContact O-N 3.09Å; S54-N85 PolarHBondContact OG-ND2 2.93Å |
| 55 | I | 90.6 | Very high | 89.1 | Confident | 40 Ų | 40 | 39.1 Ų | 39.1 | 21% | 0.205 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.3 | -41.6 | 178.7 | -59.9 | -51.5 | 0 | 0 | 0 | 111.5 | D53 L57 I58 D59 R74 P76 | D53-I55 PolarHBondContact O-N 3.47Å; D53-I55 VanDerWaalsContact O-N 3.1Å; D53-I55 WeakPolarHBondContact OD1-CB 3.44Å; D53-I55 PolarHBondContact OD1-N 2.79Å; I55-L57 VanDerWaalsContact C-N 3.3Å; I55-L57 PolarHBondContact O-N 2.92Å; I55-I58 HydrophobicContact CD1-CD1 4.17Å; I55-I58 PolarHBondContact O-N 3.1Å; I55-D59 WeakPolarHBondContact O-CB 2.89Å; I55-D59 PolarHBondContact O-N 3.49Å; I55-R74 WeakPolarHBondContact CD1-O 3.25Å; I55-P76 HydrophobicContact CD1-CG 4.34Å; I55-P76 HydrophobicContact CG1-CG 4.39Å |
| 56 | V | 90.1 | Very high | 88.8 | Confident | 9 Ų | 9 | 32.9 Ų | 32.9 | 6% | 0.055 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 175.5 | 178.3 | 0 | 0 | 0 | 0 | 110 | R42 I44 D50 L51 D53 D59 I60 | R42-V56 VanDerWaalsContact CZ-CG2 3.44Å; I44-V56 HydrophobicContact CG1-CG1 4.45Å; D50-V56 WeakPolarHBondContact O-CB 3.42Å; L51-V56 HydrophobicContact CD2-CG1 4.32Å; D53-V56 HydrophobicContact CB-CB 4.44Å; D53-V56 HydrophobicContact CB-CG2 4.09Å; D53-V56 PolarHBondContact O-N 2.71Å; D53-V56 VanDerWaalsContact O-N 3.13Å; V56-D59 PolarHBondContact O-N 2.73Å; V56-I60 HydrophobicContact CG1-CD1 3.71Å; V56-I60 HydrophobicContact CG1-CG1 4.49Å; V56-I60 VanDerWaalsContact O-CD1 3.3Å; V56-I60 WeakPolarHBondContact O-CD1 3.47Å; V56-I60 WeakPolarHBondContact O-CG1 3.25Å; V56-I60 PolarHBondContact O-N 3.3Å |
| 57 | L | 91.6 | Very high | 88.6 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -46.2 | 175 | -178 | 66.3 | 0 | 0 | 0 | 112.5 | L51 D53 S54 I55 I60 I61 I86 C89 I108 L119 | L51-L57 HydrophobicContact CD2-CD1 4.34Å; D53-L57 PolarHBondContact O-N 3.41Å; S54-L57 PolarHBondContact O-N 3.11Å; I55-L57 VanDerWaalsContact C-N 3.3Å; I55-L57 PolarHBondContact O-N 2.92Å; L57-I60 PolarHBondContact O-N 3.44Å; L57-I61 HydrophobicContact CD1-CD1 4.01Å; L57-I61 HydrophobicContact CD1-CG1 4.47Å; L57-I61 HydrophobicContact CG-CD1 3.92Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.02Å; L57-I61 PolarHBondContact O-N 3.33Å; L57-I86 HydrophobicContact CD2-CB 4.42Å; L57-I86 HydrophobicContact CD2-CG1 3.94Å; L57-I86 HydrophobicContact CD2-CG2 4.18Å; L57-C89 HydrophobicContact CD2-CB 4.26Å; L57-I108 HydrophobicContact CD2-CG2 4.19Å; L57-L119 HydrophobicContact CD1-CD2 3.9Å |
| 58 | I | 91.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.8 | -53.7 | 175.6 | -69.5 | 157.9 | 0 | 0 | 0 | 109.8 | S54 I55 I60 I61 E62 V69 V72 N85 C89 | S54-I58 VanDerWaalsContact O-CD1 3.3Å; S54-I58 WeakPolarHBondContact O-CD1 3.35Å; S54-I58 WeakPolarHBondContact O-CG1 3.46Å; S54-I58 PolarHBondContact O-N 3.09Å; I55-I58 HydrophobicContact CD1-CD1 4.17Å; I55-I58 PolarHBondContact O-N 3.1Å; I58-I60 VanDerWaalsContact C-N 3.27Å; I58-I60 PolarHBondContact O-N 3.02Å; I58-I61 PolarHBondContact O-N 3.5Å; I58-E62 HydrophobicContact CG2-CG 4.22Å; I58-E62 WeakPolarHBondContact O-CG 3.45Å; I58-E62 PolarHBondContact O-N 3.22Å; I58-V69 HydrophobicContact CG2-CG2 4.46Å; I58-V72 HydrophobicContact CD1-CB 3.66Å; I58-V72 HydrophobicContact CD1-CG1 4.02Å; I58-V72 HydrophobicContact CD1-CG2 3.91Å; I58-V72 HydrophobicContact CG1-CB 4.28Å; I58-V72 HydrophobicContact CG1-CG1 4.15Å; I58-V72 HydrophobicContact CG1-CG2 4.37Å; I58-V72 HydrophobicContact CG2-CG2 4.24Å; I58-N85 HydrophobicContact CD1-CB 4.33Å; I58-C89 VanDerWaalsContact CG1-SG 3.53Å |
| 59 | D | 91.1 | Very high | 88.4 | Confident | 29 Ų | 29 | 36 Ų | 36 | 16% | 0.155 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -57.5 | -39.5 | -177.4 | -84.8 | 1.1 | 0 | 0 | 0 | 112.2 | L35 K40 I55 V56 C63 R74 | L35-D59 HydrophobicContact CD2-CB 4.33Å; K40-D59 HydrophobicContact CD-CB 4.47Å; K40-D59 WeakPolarHBondContact CD-OD2 3.44Å; K40-D59 WeakPolarHBondContact CE-OD2 3.4Å; K40-D59 IonicContact NZ-OD1 2.77Å; K40-D59 PolarHBondContact NZ-OD1 3.29Å; K40-D59 IonicContact NZ-OD2 2.66Å; K40-D59 PolarHBondContact NZ-OD2 2.69Å; I55-D59 WeakPolarHBondContact O-CB 2.89Å; I55-D59 PolarHBondContact O-N 3.49Å; V56-D59 PolarHBondContact O-N 2.73Å; D59-C63 VanDerWaalsContact O-CB 3.29Å; D59-C63 WeakPolarHBondContact O-CB 3.24Å; D59-C63 PolarHBondContact O-N 2.79Å; D59-C63 PolarHBondContact O-SG 2.93Å; D59-R74 IonicContact OD1-NH1 2.83Å; D59-R74 PolarHBondContact OD1-NH1 2.78Å |
| 60 | I | 91.2 | Very high | 88.2 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68 | -44.7 | 175.7 | -65.9 | 159.4 | 0 | 0 | 0 | 111.5 | L35 I44 L51 V56 L57 I58 E62 C63 V64 F120 | L35-I60 HydrophobicContact CD1-CD1 4.4Å; L35-I60 HydrophobicContact CD1-CG1 3.97Å; L35-I60 HydrophobicContact CD2-CG1 3.91Å; L35-I60 HydrophobicContact CG-CG1 4.1Å; I44-I60 HydrophobicContact CD1-CD1 3.58Å; I44-I60 HydrophobicContact CG1-CD1 4.27Å; L51-I60 HydrophobicContact CD2-CD1 3.55Å; V56-I60 HydrophobicContact CG1-CD1 3.71Å; V56-I60 HydrophobicContact CG1-CG1 4.49Å; V56-I60 VanDerWaalsContact O-CD1 3.3Å; V56-I60 WeakPolarHBondContact O-CD1 3.47Å; V56-I60 WeakPolarHBondContact O-CG1 3.25Å; V56-I60 PolarHBondContact O-N 3.3Å; L57-I60 PolarHBondContact O-N 3.44Å; I58-I60 VanDerWaalsContact C-N 3.27Å; I58-I60 PolarHBondContact O-N 3.02Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 3.22Å; I60-C63 PolarHBondContact O-N 3.13Å; I60-V64 HydrophobicContact CG2-CG2 4.09Å; I60-V64 VanDerWaalsContact O-CB 3.24Å; I60-V64 WeakPolarHBondContact O-CB 3.4Å; I60-V64 WeakPolarHBondContact O-CG2 3.46Å; I60-V64 PolarHBondContact O-N 2.97Å; I60-F120 HydrophobicContact CD1-CZ 4.32Å; I60-F120 HydrophobicContact CG2-CE1 4.25Å; I60-F120 HydrophobicContact CG2-CZ 4.03Å |
| 61 | I | 90.5 | Very high | 87.9 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.7 | -43.9 | 179.4 | -71.6 | 169 | 0 | 0 | 0 | 110.2 | L57 I58 V64 L65 V69 C89 Y92 L93 | L57-I61 HydrophobicContact CD1-CD1 4.01Å; L57-I61 HydrophobicContact CD1-CG1 4.47Å; L57-I61 HydrophobicContact CG-CD1 3.92Å; L57-I61 VanDerWaalsContact O-CG1 3.3Å; L57-I61 WeakPolarHBondContact O-CG1 3.02Å; L57-I61 PolarHBondContact O-N 3.33Å; I58-I61 PolarHBondContact O-N 3.5Å; I61-V64 PolarHBondContact O-N 3.33Å; I61-L65 HydrophobicContact CG2-CD1 3.71Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.49Å; I61-V69 HydrophobicContact CB-CG2 4.26Å; I61-V69 HydrophobicContact CG2-CG2 3.67Å; I61-C89 HydrophobicContact CD1-CB 3.75Å; I61-Y92 HydrophobicContact CG2-CD1 4.41Å; I61-L93 HydrophobicContact CD1-CD1 3.92Å; I61-L93 HydrophobicContact CD1-CG 4.4Å; I61-L93 HydrophobicContact CG1-CD1 4.43Å; I61-L93 HydrophobicContact CG2-CD2 4.13Å |
| 62 | E | 90.5 | Very high | 87.7 | Confident | 22 Ų | 22 | 39.9 Ų | 39.9 | 10% | 0.103 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -44.4 | 177.3 | -64.6 | -179.6 | 157.3 | 0 | 0 | 112 | I58 I60 V64 S66 V69 R74 | I58-E62 HydrophobicContact CG2-CG 4.22Å; I58-E62 WeakPolarHBondContact O-CG 3.45Å; I58-E62 PolarHBondContact O-N 3.22Å; I60-E62 VanDerWaalsContact C-N 3.31Å; I60-E62 PolarHBondContact O-N 3.22Å; E62-V64 PolarHBondContact O-N 3.48Å; E62-S66 VanDerWaalsContact O-CA 3.25Å; E62-S66 WeakPolarHBondContact O-CA 3.43Å; E62-S66 PolarHBondContact O-N 3.02Å; E62-V69 HydrophobicContact CG-CG2 3.9Å; E62-V69 PolarHBondContact OE1-N 3.46Å; E62-R74 IonicContact OE1-CZ 2.76Å; E62-R74 IonicContact OE1-NH1 2.77Å; E62-R74 IonicContact OE1-NH2 3.17Å; E62-R74 PolarHBondContact OE1-NH2 3.33Å; E62-R74 IonicContact OE2-CZ 2.88Å; E62-R74 IonicContact OE2-NH1 3.45Å; E62-R74 PolarHBondContact OE2-NH1 2.96Å; E62-R74 IonicContact OE2-NH2 3.05Å; E62-R74 PolarHBondContact OE2-NH2 2.8Å |
| 63 | C | 88.4 | Confident | 87.6 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.054 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.9 | -24.8 | 176 | -65.4 | 0 | 0 | 0 | 0 | 112.9 | N38 D59 I60 | N38-C63 HydrophobicContact CB-CB 4.49Å; N38-C63 VanDerWaalsContact CB-SG 3.53Å; N38-C63 WeakPolarHBondContact ND2-CB 3.3Å; D59-C63 VanDerWaalsContact O-CB 3.29Å; D59-C63 WeakPolarHBondContact O-CB 3.24Å; D59-C63 PolarHBondContact O-N 2.79Å; D59-C63 PolarHBondContact O-SG 2.93Å; I60-C63 PolarHBondContact O-N 3.13Å |
| 64 | V | 88.2 | Confident | 87.6 | Confident | 4 Ų | 4 | 46 Ų | 46 | 2% | 0.024 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -87.5 | -36.2 | 178.9 | 168.3 | 0 | 0 | 0 | 0 | 112.7 | W30 Y34 I60 I61 E62 L123 K127 | W30-V64 HydrophobicContact CH2-CG1 4.07Å; W30-V64 HydrophobicContact CH2-CG2 4.05Å; W30-V64 HydrophobicContact CZ3-CG2 4.26Å; Y34-V64 HydrophobicContact CD2-CG2 3.75Å; Y34-V64 HydrophobicContact CE2-CG2 4.37Å; Y34-V64 HydrophobicContact CG-CG2 3.9Å; I60-V64 HydrophobicContact CG2-CG2 4.09Å; I60-V64 VanDerWaalsContact O-CB 3.24Å; I60-V64 WeakPolarHBondContact O-CB 3.4Å; I60-V64 WeakPolarHBondContact O-CG2 3.46Å; I60-V64 PolarHBondContact O-N 2.97Å; I61-V64 PolarHBondContact O-N 3.33Å; E62-V64 PolarHBondContact O-N 3.48Å; V64-L123 HydrophobicContact CB-CD2 4.27Å; V64-L123 HydrophobicContact CG1-CD1 4.4Å; V64-L123 HydrophobicContact CG1-CD2 3.81Å; V64-L123 HydrophobicContact CG1-CG 3.87Å; V64-L123 HydrophobicContact CG2-CD2 4.43Å; V64-K127 HydrophobicContact CG1-CD 4.23Å; V64-K127 HydrophobicContact CG1-CG 4.45Å; V64-K127 PolarHBondContact O-NZ 3.01Å |
| 65 | L | 86.3 | Confident | 87.2 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 19% | 0.188 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -95 | -22.6 | -179.2 | -62.2 | 177.2 | 0 | 0 | 0 | 113.5 | I61 S67 Y92 L93 I96 F126 | I61-L65 HydrophobicContact CG2-CD1 3.71Å; I61-L65 HydrophobicContact CG2-CG 4.4Å; I61-L65 WeakPolarHBondContact O-CB 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.43Å; I61-L65 PolarHBondContact O-N 3.49Å; L65-S67 VanDerWaalsContact C-N 3.31Å; L65-S67 WeakPolarHBondContact CB-OG 3.3Å; L65-Y92 HydrophobicContact CD1-CD1 4.4Å; L65-Y92 HydrophobicContact CD1-CE1 3.88Å; L65-L93 HydrophobicContact CD1-CD2 3.85Å; L65-I96 HydrophobicContact CD1-CD1 3.72Å; L65-F126 HydrophobicContact CD2-CD1 4.03Å; L65-F126 HydrophobicContact CD2-CE1 3.81Å |
| 66 | S | 82.9 | Confident | 86.8 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 75% | 0.748 | 28% | 0.275 | S | S | * | . | S | Bend | trans | 62 | 37 | -170.9 | -50.1 | 0 | 0 | 0 | 0 | 113.1 | E62 | E62-S66 VanDerWaalsContact O-CA 3.25Å; E62-S66 WeakPolarHBondContact O-CA 3.43Å; E62-S66 PolarHBondContact O-N 3.02Å |
| 67 | S | 83.9 | Confident | 86.2 | Confident | 45 Ų | 45 | 60 Ų | 60 | 32% | 0.315 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -148.3 | 142.8 | 178.6 | 56.4 | 0 | 0 | 0 | 0 | 110.2 | L65 Y92 | L65-S67 VanDerWaalsContact C-N 3.31Å; L65-S67 WeakPolarHBondContact CB-OG 3.3Å; S67-Y92 VanDerWaalsContact CB-OH 3.29Å; S67-Y92 WeakPolarHBondContact CB-OH 3.49Å; S67-Y92 PolarHBondContact OG-OH 3.35Å |
| 68 | E | 85.4 | Confident | 85.8 | Confident | 154 Ų | 154 | 62.1 Ų | 62.1 | 72% | 0.72 | 33% | 0.329 | S | S | * | . | P | Polyproline II helix | trans | -71.6 | 145.3 | -178.9 | -59.6 | -165.6 | 149.4 | 0 | 0 | 112.1 | P70 Y92 | E68-P70 WeakPolarHBondContact O-CD 3.21Å; E68-Y92 PolarHBondContact O-OH 3.07Å |
| 69 | V | 85.1 | Confident | 85.4 | Confident | 8 Ų | 8 | 68.9 Ų | 68.9 | 5% | 0.048 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -84.5 | 118.6 | 177 | -172.8 | 0 | 0 | 0 | 0 | 109.6 | I58 I61 E62 V72 Y92 | I58-V69 HydrophobicContact CG2-CG2 4.46Å; I61-V69 HydrophobicContact CB-CG2 4.26Å; I61-V69 HydrophobicContact CG2-CG2 3.67Å; E62-V69 HydrophobicContact CG-CG2 3.9Å; E62-V69 PolarHBondContact OE1-N 3.46Å; V69-V72 HydrophobicContact CB-CG1 3.98Å; V69-V72 HydrophobicContact CB-CG2 4.42Å; V69-V72 HydrophobicContact CG1-CG1 3.55Å; V69-V72 WeakPolarHBondContact O-CG2 3.3Å; V69-Y92 HydrophobicContact CB-CD1 4.21Å; V69-Y92 HydrophobicContact CG1-CD1 3.89Å; V69-Y92 HydrophobicContact CG1-CG 4.1Å; V69-Y92 HydrophobicContact CG2-CD1 3.91Å; V69-Y92 HydrophobicContact CG2-CE1 4.09Å |
| 70 | P | 84.1 | Confident | 85.2 | Confident | 66 Ų | 66 | 71.2 Ų | 71.2 | 43% | 0.429 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 152.8 | 179.1 | 29.1 | -34.7 | 0 | 0 | 0 | 111.9 | E68 V72 Y92 | E68-P70 WeakPolarHBondContact O-CD 3.21Å; P70-V72 PolarHBondContact O-N 3.24Å; P70-Y92 VanDerWaalsContact CD-CE2 3.48Å; P70-Y92 HydrophobicContact CG-CD2 3.72Å; P70-Y92 HydrophobicContact CG-CE2 4.08Å; P70-Y92 HydrophobicContact CG-CG 4.36Å |
| 71 | N | 82.7 | Confident | 85 | Confident | 147 Ų | 147 | 73.1 Ų | 73.1 | 79% | 0.786 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 39 | 174 | -57.4 | -38.7 | 0 | 0 | 0 | 114.9 | S88 | N71-S88 WeakPolarHBondContact O-CB 3.34Å; N71-S88 PolarHBondContact O-OG 3.04Å |
| 72 | V | 84.9 | Confident | 84.8 | Confident | 29 Ų | 29 | 73.8 Ų | 73.8 | 18% | 0.176 | 39% | 0.388 | C | S | . | . | trans | -112.5 | 144 | 173.2 | -57.8 | 0 | 0 | 0 | 0 | 112.7 | I58 V69 P70 | I58-V72 HydrophobicContact CD1-CB 3.66Å; I58-V72 HydrophobicContact CD1-CG1 4.02Å; I58-V72 HydrophobicContact CD1-CG2 3.91Å; I58-V72 HydrophobicContact CG1-CB 4.28Å; I58-V72 HydrophobicContact CG1-CG1 4.15Å; I58-V72 HydrophobicContact CG1-CG2 4.37Å; I58-V72 HydrophobicContact CG2-CG2 4.24Å; V69-V72 HydrophobicContact CB-CG1 3.98Å; V69-V72 HydrophobicContact CB-CG2 4.42Å; V69-V72 HydrophobicContact CG1-CG1 3.55Å; V69-V72 WeakPolarHBondContact O-CG2 3.3Å; P70-V72 PolarHBondContact O-N 3.24Å | ||
| 73 | R | 84.7 | Confident | 84.8 | Confident | 145 Ų | 145 | 74.7 Ų | 74.7 | 55% | 0.547 | 39% | 0.393 | S | S | . | . | trans | -97.3 | 107.7 | 175.6 | -60.1 | -177.2 | -178.5 | -157.5 | -0.2 | 109.7 | K75 P76 N85 | R73-K75 PolarHBondContact O-N 3.44Å; R73-P76 WeakPolarHBondContact O-CD 3.43Å; R73-N85 PolarHBondContact N-OD1 3.47Å; R73-N85 PolarHBondContact O-ND2 2.93Å | ||
| 74 | R | 86.9 | Confident | 84.8 | Confident | 110 Ų | 110 | 78 Ų | 78 | 42% | 0.415 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -61.8 | -7.3 | 175.9 | -63.4 | -73.4 | -168 | 172.7 | -0.5 | 114.8 | I55 D59 E62 | I55-R74 WeakPolarHBondContact CD1-O 3.25Å; D59-R74 IonicContact OD1-NH1 2.83Å; D59-R74 PolarHBondContact OD1-NH1 2.78Å; E62-R74 IonicContact OE1-CZ 2.76Å; E62-R74 IonicContact OE1-NH1 2.77Å; E62-R74 IonicContact OE1-NH2 3.17Å; E62-R74 PolarHBondContact OE1-NH2 3.33Å; E62-R74 IonicContact OE2-CZ 2.88Å; E62-R74 IonicContact OE2-NH1 3.45Å; E62-R74 PolarHBondContact OE2-NH1 2.96Å; E62-R74 IonicContact OE2-NH2 3.05Å; E62-R74 PolarHBondContact OE2-NH2 2.8Å |
| 75 | K | 81.5 | Confident | 85 | Confident | 179 Ų | 179 | 78 Ų | 78 | 78% | 0.778 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -138.5 | 81.7 | 173.6 | -63.7 | -175.8 | -178.7 | -179.4 | 0 | 109.6 | R73 N77 | R73-K75 PolarHBondContact O-N 3.44Å; K75-N77 PolarHBondContact O-N 2.86Å |
| 76 | P | 81.6 | Confident | 85.3 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 21% | 0.208 | 40% | 0.401 | C | S | . | . | trans | -76.6 | 105 | -176 | 29.2 | -34.2 | 0 | 0 | 0 | 111.1 | I55 R73 G78 Q81 A82 | I55-P76 HydrophobicContact CD1-CG 4.34Å; I55-P76 HydrophobicContact CG1-CG 4.39Å; R73-P76 WeakPolarHBondContact O-CD 3.43Å; P76-G78 PolarHBondContact O-N 3.26Å; P76-Q81 HydrophobicContact CB-CB 3.76Å; P76-A82 HydrophobicContact CB-CB 4.47Å | ||
| 77 | N | 77.9 | Confident | 85.7 | Confident | 132 Ų | 132 | 71.9 Ų | 71.9 | 71% | 0.706 | 37% | 0.371 | S | S | * | . | trans | -79.3 | 87.4 | 177.7 | -73.3 | -5.1 | 0 | 0 | 0 | 110.6 | K75 Q81 | K75-N77 PolarHBondContact O-N 2.86Å; N77-Q81 PolarHBondContact O-NE2 2.8Å | ||
| 78 | G | 82.1 | Confident | 86.1 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 50% | 0.495 | 36% | 0.362 | S | S | . | . | S | Bend | trans | 97.5 | 167.7 | 173 | 0 | 0 | 0 | 0 | 0 | 115.1 | P76 S80 Q81 A82 | P76-G78 PolarHBondContact O-N 3.26Å; G78-S80 VanDerWaalsContact C-N 3.33Å; G78-S80 PolarHBondContact O-N 2.77Å; G78-Q81 PolarHBondContact O-N 3.04Å; G78-A82 PolarHBondContact O-N 3.38Å |
| 79 | R | 84 | Confident | 86.4 | Confident | 142 Ų | 142 | 63.2 Ų | 63.2 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.1 | -41.6 | -168.2 | -168.2 | 179 | -179.7 | 169.1 | 1.8 | 114.2 | Q81 A82 I83 H109 D110 | R79-Q81 PolarHBondContact O-N 3.15Å; R79-A82 PolarHBondContact O-N 3.46Å; R79-I83 HydrophobicContact CG-CD1 3.98Å; R79-I83 HydrophobicContact CG-CG1 4.5Å; R79-I83 WeakPolarHBondContact O-CG1 3.42Å; R79-I83 PolarHBondContact O-N 2.99Å; R79-H109 WeakPolarHBondContact CG-NE2 3.46Å; R79-H109 PolarHBondContact NE-CE1 3.03Å; R79-H109 PolarHBondContact NE-NE2 3.33Å; R79-H109 PolarHBondContact NH2-CE1 3.46Å; R79-H109 PolarHBondContact NH2-ND1 3.39Å; R79-H109 VanDerWaalsContact NH2-ND1 3.15Å; R79-D110 IonicContact NH2-OD1 2.78Å; R79-D110 PolarHBondContact NH2-OD1 3.29Å |
| 80 | S | 86.6 | Confident | 86.7 | Confident | 78 Ų | 78 | 63.6 Ų | 63.6 | 55% | 0.545 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -56.9 | -50.2 | 177.5 | -166 | 0 | 0 | 0 | 0 | 110.8 | G78 A82 I83 D84 | G78-S80 VanDerWaalsContact C-N 3.33Å; G78-S80 PolarHBondContact O-N 2.77Å; S80-A82 PolarHBondContact O-N 2.95Å; S80-I83 CarbonylContact O-C 3.54Å; S80-I83 WeakPolarHBondContact O-CA 3.47Å; S80-I83 WeakPolarHBondContact O-CB 3.29Å; S80-I83 PolarHBondContact O-N 3.37Å; S80-D84 WeakPolarHBondContact O-CB 3.43Å; S80-D84 PolarHBondContact O-N 3.28Å; S80-D84 PolarHBondContact OG-OD2 3.18Å |
| 81 | Q | 87.2 | Confident | 87 | Confident | 42 Ų | 42 | 68.6 Ų | 68.6 | 20% | 0.196 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.2 | -28.6 | -175.8 | -55.2 | -167.5 | 33.6 | 0 | 0 | 112.7 | P76 N77 G78 R79 N85 | P76-Q81 HydrophobicContact CB-CB 3.76Å; N77-Q81 PolarHBondContact O-NE2 2.8Å; G78-Q81 PolarHBondContact O-N 3.04Å; R79-Q81 PolarHBondContact O-N 3.15Å; Q81-N85 WeakPolarHBondContact O-CB 3.38Å; Q81-N85 PolarHBondContact O-N 3.12Å; Q81-N85 PolarHBondContact O-OD1 2.76Å |
| 82 | A | 86.7 | Confident | 87.4 | Confident | 16 Ų | 16 | 63.4 Ų | 63.4 | 13% | 0.132 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72 | -40.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | P76 G78 R79 S80 N85 I86 | P76-A82 HydrophobicContact CB-CB 4.47Å; G78-A82 PolarHBondContact O-N 3.38Å; R79-A82 PolarHBondContact O-N 3.46Å; S80-A82 PolarHBondContact O-N 2.95Å; A82-N85 PolarHBondContact O-N 3.08Å; A82-I86 WeakPolarHBondContact O-CD1 3.34Å; A82-I86 VanDerWaalsContact O-CG1 3.25Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 3.42Å |
| 83 | I | 89.3 | Confident | 87.7 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 21% | 0.21 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 173 | -69.9 | 173.9 | 0 | 0 | 0 | 110.6 | R79 S80 I86 A87 V105 H109 | R79-I83 HydrophobicContact CG-CD1 3.98Å; R79-I83 HydrophobicContact CG-CG1 4.5Å; R79-I83 WeakPolarHBondContact O-CG1 3.42Å; R79-I83 PolarHBondContact O-N 2.99Å; S80-I83 CarbonylContact O-C 3.54Å; S80-I83 WeakPolarHBondContact O-CA 3.47Å; S80-I83 WeakPolarHBondContact O-CB 3.29Å; S80-I83 PolarHBondContact O-N 3.37Å; I83-I86 PolarHBondContact O-N 3.35Å; I83-A87 WeakPolarHBondContact O-CB 3.39Å; I83-A87 PolarHBondContact O-N 3.36Å; I83-V105 HydrophobicContact CB-CG1 4.49Å; I83-V105 HydrophobicContact CG2-CG1 3.73Å; I83-V105 WeakPolarHBondContact O-CG1 3.47Å; I83-H109 HydrophobicContact CG1-CB 4.41Å; I83-H109 VanDerWaalsContact CG1-CD2 3.43Å; I83-H109 WeakPolarHBondContact CG1-CD2 3.4Å |
| 84 | D | 89.8 | Confident | 88 | Confident | 78 Ų | 78 | 58.7 Ų | 58.7 | 42% | 0.417 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 176.6 | -63.3 | -43.5 | 0 | 0 | 0 | 111.2 | S80 A87 S88 | S80-D84 WeakPolarHBondContact O-CB 3.43Å; S80-D84 PolarHBondContact O-N 3.28Å; S80-D84 PolarHBondContact OG-OD2 3.18Å; D84-A87 WeakPolarHBondContact O-CB 3.37Å; D84-A87 PolarHBondContact O-N 2.91Å; D84-S88 PolarHBondContact O-N 3.45Å; D84-S88 PolarHBondContact O-OG 3.34Å |
| 85 | N | 92.3 | Very high | 88 | Confident | 2 Ų | 2 | 57.9 Ų | 57.9 | 1% | 0.011 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -57.7 | -49.1 | 172.3 | -81.2 | -5.7 | 0 | 0 | 0 | 112 | S54 I58 R73 Q81 A82 A87 S88 C89 | S54-N85 PolarHBondContact OG-ND2 2.93Å; I58-N85 HydrophobicContact CD1-CB 4.33Å; R73-N85 PolarHBondContact N-OD1 3.47Å; R73-N85 PolarHBondContact O-ND2 2.93Å; Q81-N85 WeakPolarHBondContact O-CB 3.38Å; Q81-N85 PolarHBondContact O-N 3.12Å; Q81-N85 PolarHBondContact O-OD1 2.76Å; A82-N85 PolarHBondContact O-N 3.08Å; N85-A87 VanDerWaalsContact C-N 3.27Å; N85-A87 PolarHBondContact O-N 2.67Å; N85-S88 PolarHBondContact O-N 2.94Å; N85-C89 PolarHBondContact O-N 3.47Å; N85-C89 PolarHBondContact O-SG 2.85Å |
| 86 | I | 91.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 178.3 | -65.2 | 163.3 | 0 | 0 | 0 | 110.2 | L57 A82 I83 C89 L90 V105 I108 H109 | L57-I86 HydrophobicContact CD2-CB 4.42Å; L57-I86 HydrophobicContact CD2-CG1 3.94Å; L57-I86 HydrophobicContact CD2-CG2 4.18Å; A82-I86 WeakPolarHBondContact O-CD1 3.34Å; A82-I86 VanDerWaalsContact O-CG1 3.25Å; A82-I86 WeakPolarHBondContact O-CG1 3.49Å; A82-I86 PolarHBondContact O-N 3.42Å; I83-I86 PolarHBondContact O-N 3.35Å; I86-C89 WeakPolarHBondContact O-CB 3.48Å; I86-C89 PolarHBondContact O-N 3.44Å; I86-L90 WeakPolarHBondContact O-CG 3.24Å; I86-L90 PolarHBondContact O-N 3.24Å; I86-V105 HydrophobicContact CB-CG1 3.98Å; I86-V105 HydrophobicContact CG2-CB 4.35Å; I86-V105 HydrophobicContact CG2-CG1 3.81Å; I86-I108 HydrophobicContact CD1-CG2 4.32Å; I86-I108 HydrophobicContact CG2-CB 4.07Å; I86-I108 HydrophobicContact CG2-CD1 3.91Å; I86-I108 HydrophobicContact CG2-CG2 4.27Å; I86-H109 HydrophobicContact CD1-CB 4.07Å |
| 87 | A | 91.7 | Very high | 88.4 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 12% | 0.124 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.3 | -41 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | I83 D84 N85 L90 R91 V105 | I83-A87 WeakPolarHBondContact O-CB 3.39Å; I83-A87 PolarHBondContact O-N 3.36Å; D84-A87 WeakPolarHBondContact O-CB 3.37Å; D84-A87 PolarHBondContact O-N 2.91Å; N85-A87 VanDerWaalsContact C-N 3.27Å; N85-A87 PolarHBondContact O-N 2.67Å; A87-L90 PolarHBondContact O-N 3.38Å; A87-R91 WeakPolarHBondContact O-CB 3.39Å; A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.46Å; A87-R91 PolarHBondContact O-N 3.19Å; A87-V105 HydrophobicContact CB-CG1 4.26Å; A87-V105 HydrophobicContact CB-CG2 3.93Å |
| 88 | S | 92 | Very high | 88.8 | Confident | 17 Ų | 17 | 47 Ų | 47 | 12% | 0.119 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 171.2 | -70.8 | 0 | 0 | 0 | 0 | 111.9 | N71 D84 N85 L90 R91 Y92 | N71-S88 WeakPolarHBondContact O-CB 3.34Å; N71-S88 PolarHBondContact O-OG 3.04Å; D84-S88 PolarHBondContact O-N 3.45Å; D84-S88 PolarHBondContact O-OG 3.34Å; N85-S88 PolarHBondContact O-N 2.94Å; S88-L90 PolarHBondContact O-N 3.17Å; S88-R91 PolarHBondContact O-N 2.91Å; S88-Y92 WeakPolarHBondContact O-CB 3.31Å; S88-Y92 PolarHBondContact O-N 3.39Å |
| 89 | C | 91.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -57.8 | -46.9 | 174.3 | -67 | 0 | 0 | 0 | 0 | 112.5 | L57 I58 I61 N85 I86 Y92 L93 | L57-C89 HydrophobicContact CD2-CB 4.26Å; I58-C89 VanDerWaalsContact CG1-SG 3.53Å; I61-C89 HydrophobicContact CD1-CB 3.75Å; N85-C89 PolarHBondContact O-N 3.47Å; N85-C89 PolarHBondContact O-SG 2.85Å; I86-C89 WeakPolarHBondContact O-CB 3.48Å; I86-C89 PolarHBondContact O-N 3.44Å; C89-Y92 PolarHBondContact O-N 3.19Å; C89-L93 WeakPolarHBondContact O-CG 3.5Å; C89-L93 PolarHBondContact O-N 2.76Å |
| 90 | L | 92 | Very high | 89 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.089 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69 | -38.6 | 179 | -67.5 | -170.8 | 0 | 0 | 0 | 112.6 | I86 A87 S88 Y92 L93 S94 L100 V103 V105 I108 L119 | I86-L90 WeakPolarHBondContact O-CG 3.24Å; I86-L90 PolarHBondContact O-N 3.24Å; A87-L90 PolarHBondContact O-N 3.38Å; S88-L90 PolarHBondContact O-N 3.17Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; L90-Y92 PolarHBondContact O-N 3Å; L90-L93 HydrophobicContact CD2-CD1 4.46Å; L90-L93 PolarHBondContact O-N 3.14Å; L90-S94 WeakPolarHBondContact O-CB 3.29Å; L90-S94 PolarHBondContact O-N 2.81Å; L90-L100 HydrophobicContact CB-CD1 4.04Å; L90-L100 HydrophobicContact CD2-CD1 4.1Å; L90-L100 HydrophobicContact CD2-CD2 4.14Å; L90-L100 VanDerWaalsContact O-CD1 3.24Å; L90-L100 WeakPolarHBondContact O-CD1 3.36Å; L90-V103 HydrophobicContact CD1-CG1 4.08Å; L90-V103 HydrophobicContact CD2-CG1 3.9Å; L90-V105 HydrophobicContact CD1-CG2 3.95Å; L90-I108 HydrophobicContact CD1-CD1 4.07Å; L90-I108 HydrophobicContact CD2-CD1 3.89Å; L90-I108 HydrophobicContact CG-CD1 4.23Å; L90-L119 HydrophobicContact CD2-CD1 4.17Å |
| 91 | R | 90.1 | Very high | 88.7 | Confident | 171 Ų | 171 | 48.9 Ų | 48.9 | 65% | 0.645 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -59.8 | -43.7 | 172 | -73.2 | 178.8 | -168.5 | 114.2 | -4.2 | 111.6 | A87 S88 S94 S95 | A87-R91 WeakPolarHBondContact O-CB 3.39Å; A87-R91 VanDerWaalsContact O-CG 3.31Å; A87-R91 WeakPolarHBondContact O-CG 3.46Å; A87-R91 PolarHBondContact O-N 3.19Å; S88-R91 PolarHBondContact O-N 2.91Å; R91-S94 WeakPolarHBondContact O-CB 3.22Å; R91-S94 PolarHBondContact O-N 3.05Å; R91-S95 PolarHBondContact O-N 3.3Å |
| 92 | Y | 91.4 | Very high | 88.4 | Confident | 38 Ų | 38 | 49.7 Ų | 49.7 | 15% | 0.149 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 178.2 | -176.9 | -124.2 | 0 | 0 | 0 | 111.8 | I61 L65 S67 E68 V69 P70 S88 C89 L90 S94 S95 I96 | I61-Y92 HydrophobicContact CG2-CD1 4.41Å; L65-Y92 HydrophobicContact CD1-CD1 4.4Å; L65-Y92 HydrophobicContact CD1-CE1 3.88Å; S67-Y92 VanDerWaalsContact CB-OH 3.29Å; S67-Y92 WeakPolarHBondContact CB-OH 3.49Å; S67-Y92 PolarHBondContact OG-OH 3.35Å; E68-Y92 PolarHBondContact O-OH 3.07Å; V69-Y92 HydrophobicContact CB-CD1 4.21Å; V69-Y92 HydrophobicContact CG1-CD1 3.89Å; V69-Y92 HydrophobicContact CG1-CG 4.1Å; V69-Y92 HydrophobicContact CG2-CD1 3.91Å; V69-Y92 HydrophobicContact CG2-CE1 4.09Å; P70-Y92 VanDerWaalsContact CD-CE2 3.48Å; P70-Y92 HydrophobicContact CG-CD2 3.72Å; P70-Y92 HydrophobicContact CG-CE2 4.08Å; P70-Y92 HydrophobicContact CG-CG 4.36Å; S88-Y92 WeakPolarHBondContact O-CB 3.31Å; S88-Y92 PolarHBondContact O-N 3.39Å; C89-Y92 PolarHBondContact O-N 3.19Å; L90-Y92 VanDerWaalsContact C-N 3.33Å; L90-Y92 PolarHBondContact O-N 3Å; Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 PolarHBondContact O-N 3.19Å; Y92-S95 PolarHBondContact O-N 3.3Å; Y92-S95 VanDerWaalsContact O-N 3.08Å; Y92-S95 PolarHBondContact O-OG 2.8Å; Y92-I96 HydrophobicContact CD1-CD1 3.85Å; Y92-I96 HydrophobicContact CD2-CD1 4.04Å; Y92-I96 HydrophobicContact CE1-CD1 3.56Å; Y92-I96 HydrophobicContact CE2-CD1 3.77Å; Y92-I96 HydrophobicContact CE2-CG1 4.41Å; Y92-I96 HydrophobicContact CG-CD1 4.1Å; Y92-I96 WeakPolarHBondContact O-CG1 3.48Å; Y92-I96 PolarHBondContact O-N 3.04Å; Y92-I96 VanDerWaalsContact O-N 3.12Å |
| 93 | L | 91.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 175.6 | -68.7 | 178.7 | 0 | 0 | 0 | 112.3 | I61 L65 C89 L90 I96 G97 V98 L100 L119 L123 | I61-L93 HydrophobicContact CD1-CD1 3.92Å; I61-L93 HydrophobicContact CD1-CG 4.4Å; I61-L93 HydrophobicContact CG1-CD1 4.43Å; I61-L93 HydrophobicContact CG2-CD2 4.13Å; L65-L93 HydrophobicContact CD1-CD2 3.85Å; C89-L93 WeakPolarHBondContact O-CG 3.5Å; C89-L93 PolarHBondContact O-N 2.76Å; L90-L93 HydrophobicContact CD2-CD1 4.46Å; L90-L93 PolarHBondContact O-N 3.14Å; L93-I96 PolarHBondContact O-N 3.17Å; L93-G97 PolarHBondContact O-N 3.03Å; L93-V98 HydrophobicContact CB-CB 4.13Å; L93-V98 HydrophobicContact CB-CG2 4.27Å; L93-V98 HydrophobicContact CD2-CG2 4.18Å; L93-V98 VanDerWaalsContact O-CB 3.3Å; L93-V98 WeakPolarHBondContact O-CB 3.45Å; L93-V98 WeakPolarHBondContact O-CG2 3.48Å; L93-V98 PolarHBondContact O-N 2.86Å; L93-L100 HydrophobicContact CB-CD1 4.4Å; L93-L119 HydrophobicContact CD1-CD1 3.63Å; L93-L123 HydrophobicContact CD1-CD1 4.39Å; L93-L123 HydrophobicContact CD2-CD1 3.6Å |
| 94 | S | 90.1 | Very high | 88.4 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 173.9 | -165.6 | 0 | 0 | 0 | 0 | 112.5 | L90 R91 Y92 I96 G97 | L90-S94 WeakPolarHBondContact O-CB 3.29Å; L90-S94 PolarHBondContact O-N 2.81Å; R91-S94 WeakPolarHBondContact O-CB 3.22Å; R91-S94 PolarHBondContact O-N 3.05Å; Y92-S94 VanDerWaalsContact C-N 3.3Å; Y92-S94 PolarHBondContact O-N 3.19Å; S94-I96 PolarHBondContact O-N 2.81Å; S94-G97 PolarHBondContact O-N 2.93Å; S94-G97 VanDerWaalsContact O-N 3.1Å |
| 95 | S | 88.6 | Confident | 88.4 | Confident | 92 Ų | 92 | 49.2 Ų | 49.2 | 64% | 0.643 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.3 | -22.6 | 177.9 | 72.1 | 0 | 0 | 0 | 0 | 113.7 | R91 Y92 G97 | R91-S95 PolarHBondContact O-N 3.3Å; Y92-S95 PolarHBondContact O-N 3.3Å; Y92-S95 VanDerWaalsContact O-N 3.08Å; Y92-S95 PolarHBondContact O-OG 2.8Å; S95-G97 VanDerWaalsContact C-N 3.32Å |
| 96 | I | 86 | Confident | 88.1 | Confident | 50 Ų | 50 | 53 Ų | 53 | 26% | 0.256 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -7.3 | 175.9 | -68.1 | 168.2 | 0 | 0 | 0 | 111.8 | L65 Y92 L93 S94 V98 F126 | L65-I96 HydrophobicContact CD1-CD1 3.72Å; Y92-I96 HydrophobicContact CD1-CD1 3.85Å; Y92-I96 HydrophobicContact CD2-CD1 4.04Å; Y92-I96 HydrophobicContact CE1-CD1 3.56Å; Y92-I96 HydrophobicContact CE2-CD1 3.77Å; Y92-I96 HydrophobicContact CE2-CG1 4.41Å; Y92-I96 HydrophobicContact CG-CD1 4.1Å; Y92-I96 WeakPolarHBondContact O-CG1 3.48Å; Y92-I96 PolarHBondContact O-N 3.04Å; Y92-I96 VanDerWaalsContact O-N 3.12Å; L93-I96 PolarHBondContact O-N 3.17Å; S94-I96 PolarHBondContact O-N 2.81Å; I96-V98 HydrophobicContact CG2-CG2 4.36Å; I96-F126 HydrophobicContact CG2-CD1 4.48Å; I96-F126 HydrophobicContact CG2-CE1 3.64Å; I96-F126 HydrophobicContact CG2-CE2 3.67Å; I96-F126 HydrophobicContact CG2-CZ 3.17Å; I96-F126 WeakPolarHBondContact O-CE2 3.39Å |
| 97 | G | 84.5 | Confident | 87.9 | Confident | 57 Ų | 57 | 53 Ų | 53 | 59% | 0.588 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.2 | 16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.4 | L93 S94 S95 Q99 | L93-G97 PolarHBondContact O-N 3.03Å; S94-G97 PolarHBondContact O-N 2.93Å; S94-G97 VanDerWaalsContact O-N 3.1Å; S95-G97 VanDerWaalsContact C-N 3.32Å; G97-Q99 PolarHBondContact O-N 2.92Å |
| 98 | V | 86.2 | Confident | 87.8 | Confident | 7 Ų | 7 | 52.4 Ų | 52.4 | 4% | 0.042 | 30% | 0.303 | C | S | . | . | trans | -73.7 | 120.5 | 169.3 | -172.6 | 0 | 0 | 0 | 0 | 108.7 | L93 I96 L100 N122 F126 | L93-V98 HydrophobicContact CB-CB 4.13Å; L93-V98 HydrophobicContact CB-CG2 4.27Å; L93-V98 HydrophobicContact CD2-CG2 4.18Å; L93-V98 VanDerWaalsContact O-CB 3.3Å; L93-V98 WeakPolarHBondContact O-CB 3.45Å; L93-V98 WeakPolarHBondContact O-CG2 3.48Å; L93-V98 PolarHBondContact O-N 2.86Å; I96-V98 HydrophobicContact CG2-CG2 4.36Å; V98-L100 HydrophobicContact CG1-CD2 4.31Å; V98-N122 HydrophobicContact CG1-CB 4.04Å; V98-F126 HydrophobicContact CG2-CB 3.97Å; V98-F126 HydrophobicContact CG2-CD1 4.12Å; V98-F126 HydrophobicContact CG2-CD2 3.93Å; V98-F126 HydrophobicContact CG2-CG 3.71Å | ||
| 99 | Q | 83.9 | Confident | 87.6 | Confident | 145 Ų | 145 | 53 Ų | 53 | 68% | 0.678 | 30% | 0.304 | S | S | * | . | trans | -65.1 | 135.2 | 173.1 | -66.5 | 173.5 | -4.6 | 0 | 0 | 109.8 | G97 N122 | G97-Q99 PolarHBondContact O-N 2.92Å; Q99-N122 WeakPolarHBondContact O-CB 3.44Å; Q99-N122 PolarHBondContact O-ND2 3.03Å | ||
| 100 | L | 86.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 56.2 Ų | 56.2 | 16% | 0.157 | 32% | 0.321 | C | S | . | . | trans | -122.4 | 16 | -174.7 | -67.7 | 178.2 | 0 | 0 | 0 | 113.8 | L90 L93 V98 G102 V103 L119 | L90-L100 HydrophobicContact CB-CD1 4.04Å; L90-L100 HydrophobicContact CD2-CD1 4.1Å; L90-L100 HydrophobicContact CD2-CD2 4.14Å; L90-L100 VanDerWaalsContact O-CD1 3.24Å; L90-L100 WeakPolarHBondContact O-CD1 3.36Å; L93-L100 HydrophobicContact CB-CD1 4.4Å; V98-L100 HydrophobicContact CG1-CD2 4.31Å; L100-G102 PolarHBondContact O-N 3.17Å; L100-V103 HydrophobicContact CB-CB 4.4Å; L100-V103 HydrophobicContact CD2-CB 4.37Å; L100-V103 HydrophobicContact CD2-CG2 4.32Å; L100-V103 WeakPolarHBondContact O-CB 3.19Å; L100-V103 PolarHBondContact O-N 3.31Å; L100-L119 HydrophobicContact CD2-CD1 3.98Å | ||
| 101 | D | 80.9 | Confident | 87.2 | Confident | 134 Ų | 134 | 55.6 Ų | 55.6 | 72% | 0.717 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 110.9 | -178.3 | -61.7 | -13.9 | 0 | 0 | 0 | 112.5 | N118 | D101-N118 PolarHBondContact O-ND2 2.84Š|
| 102 | G | 80.7 | Confident | 87.1 | Confident | 58 Ų | 58 | 52.2 Ų | 52.2 | 60% | 0.598 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.1 | 3.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | L100 S115 | L100-G102 PolarHBondContact O-N 3.17Å; G102-S115 PolarHBondContact O-OG 3.17Å |
| 103 | V | 86.7 | Confident | 86.9 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -94.3 | 118.5 | 166.8 | -169.8 | 0 | 0 | 0 | 0 | 108.6 | L90 L100 I108 N118 L119 | L90-V103 HydrophobicContact CD1-CG1 4.08Å; L90-V103 HydrophobicContact CD2-CG1 3.9Å; L100-V103 HydrophobicContact CB-CB 4.4Å; L100-V103 HydrophobicContact CD2-CB 4.37Å; L100-V103 HydrophobicContact CD2-CG2 4.32Å; L100-V103 WeakPolarHBondContact O-CB 3.19Å; L100-V103 PolarHBondContact O-N 3.31Å; V103-I108 HydrophobicContact CG1-CD1 3.74Å; V103-I108 HydrophobicContact CG1-CG1 4.15Å; V103-N118 HydrophobicContact CG2-CB 4.28Å; V103-N118 VanDerWaalsContact CG2-ND2 3.34Å; V103-N118 WeakPolarHBondContact CG2-ND2 3.24Å; V103-L119 HydrophobicContact CG1-CB 4.05Å; V103-L119 HydrophobicContact CG1-CD1 4.42Å; V103-L119 HydrophobicContact CG2-CB 4.09Å | ||
| 104 | T | 88.4 | Confident | 86.6 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 45% | 0.454 | 33% | 0.329 | S | S | . | . | trans | -119.3 | 150.5 | 175.1 | 62 | 0 | 0 | 0 | 0 | 110.2 | Q106 G107 I108 | T104-Q106 VanDerWaalsContact C-N 3.28Å; T104-Q106 PolarHBondContact O-N 2.92Å; T104-G107 PolarHBondContact O-N 2.85Å; T104-G107 WeakPolarHBondContact OG1-CA 3.45Å; T104-G107 PolarHBondContact OG1-N 2.82Å; T104-I108 PolarHBondContact O-N 3.04Å; T104-I108 VanDerWaalsContact O-N 3.09Å | ||
| 105 | V | 90.1 | Very high | 86.6 | Confident | 39 Ų | 39 | 53 Ų | 53 | 24% | 0.236 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -53.5 | -48.6 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | I83 I86 A87 L90 G107 I108 H109 | I83-V105 HydrophobicContact CB-CG1 4.49Å; I83-V105 HydrophobicContact CG2-CG1 3.73Å; I83-V105 WeakPolarHBondContact O-CG1 3.47Å; I86-V105 HydrophobicContact CB-CG1 3.98Å; I86-V105 HydrophobicContact CG2-CB 4.35Å; I86-V105 HydrophobicContact CG2-CG1 3.81Å; A87-V105 HydrophobicContact CB-CG1 4.26Å; A87-V105 HydrophobicContact CB-CG2 3.93Å; L90-V105 HydrophobicContact CD1-CG2 3.95Å; V105-G107 VanDerWaalsContact C-N 3.34Å; V105-G107 PolarHBondContact O-N 3.35Å; V105-I108 PolarHBondContact O-N 3.18Å; V105-H109 WeakPolarHBondContact O-CB 3.18Å; V105-H109 PolarHBondContact O-N 3.32Å |
| 106 | Q | 87.1 | Confident | 86.7 | Confident | 82 Ų | 82 | 48.7 Ų | 48.7 | 38% | 0.383 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 177 | -164.5 | 68.3 | 22.1 | 0 | 0 | 112.5 | T104 I108 H109 D110 | T104-Q106 VanDerWaalsContact C-N 3.28Å; T104-Q106 PolarHBondContact O-N 2.92Å; Q106-I108 VanDerWaalsContact C-N 3.34Å; Q106-I108 PolarHBondContact O-N 3.38Å; Q106-H109 PolarHBondContact O-N 2.87Å; Q106-D110 WeakPolarHBondContact CG-OD2 3.44Å; Q106-D110 VanDerWaalsContact NE2-CG 3.28Å; Q106-D110 PolarHBondContact NE2-OD1 3.33Å; Q106-D110 PolarHBondContact NE2-OD2 2.87Å; Q106-D110 WeakPolarHBondContact O-CB 3.46Å; Q106-D110 PolarHBondContact O-N 3.09Å |
| 107 | G | 86.8 | Confident | 86.9 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.5 | -34.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | T104 V105 Q112 | T104-G107 PolarHBondContact O-N 2.85Å; T104-G107 WeakPolarHBondContact OG1-CA 3.45Å; T104-G107 PolarHBondContact OG1-N 2.82Å; V105-G107 VanDerWaalsContact C-N 3.34Å; V105-G107 PolarHBondContact O-N 3.35Å; G107-Q112 WeakPolarHBondContact O-CA 3.39Å; G107-Q112 WeakPolarHBondContact O-CB 3.37Å; G107-Q112 PolarHBondContact O-N 3.25Å |
| 108 | I | 88.9 | Confident | 87.1 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.6 | -50.9 | 172.3 | -61.3 | 167.8 | 0 | 0 | 0 | 110 | L57 I86 L90 V103 T104 V105 Q106 D110 G111 L119 | L57-I108 HydrophobicContact CD2-CG2 4.19Å; I86-I108 HydrophobicContact CD1-CG2 4.32Å; I86-I108 HydrophobicContact CG2-CB 4.07Å; I86-I108 HydrophobicContact CG2-CD1 3.91Å; I86-I108 HydrophobicContact CG2-CG2 4.27Å; L90-I108 HydrophobicContact CD1-CD1 4.07Å; L90-I108 HydrophobicContact CD2-CD1 3.89Å; L90-I108 HydrophobicContact CG-CD1 4.23Å; V103-I108 HydrophobicContact CG1-CD1 3.74Å; V103-I108 HydrophobicContact CG1-CG1 4.15Å; T104-I108 PolarHBondContact O-N 3.04Å; T104-I108 VanDerWaalsContact O-N 3.09Å; V105-I108 PolarHBondContact O-N 3.18Å; Q106-I108 VanDerWaalsContact C-N 3.34Å; Q106-I108 PolarHBondContact O-N 3.38Å; I108-D110 VanDerWaalsContact C-N 3.33Å; I108-D110 PolarHBondContact O-N 2.82Å; I108-G111 PolarHBondContact O-N 2.99Å; I108-L119 HydrophobicContact CD1-CD2 3.83Å |
| 109 | H | 89 | Confident | 87.4 | Confident | 29 Ų | 29 | 45 Ų | 45 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -54.3 | -46.5 | -178.7 | 177.3 | -68.4 | 0 | 0 | 0 | 112.5 | Q52 R79 I83 I86 V105 Q106 G111 | Q52-H109 WeakPolarHBondContact CG-O 3.47Å; R79-H109 WeakPolarHBondContact CG-NE2 3.46Å; R79-H109 PolarHBondContact NE-CE1 3.03Å; R79-H109 PolarHBondContact NE-NE2 3.33Å; R79-H109 PolarHBondContact NH2-CE1 3.46Å; R79-H109 PolarHBondContact NH2-ND1 3.39Å; R79-H109 VanDerWaalsContact NH2-ND1 3.15Å; I83-H109 HydrophobicContact CG1-CB 4.41Å; I83-H109 VanDerWaalsContact CG1-CD2 3.43Å; I83-H109 WeakPolarHBondContact CG1-CD2 3.4Å; I86-H109 HydrophobicContact CD1-CB 4.07Å; V105-H109 WeakPolarHBondContact O-CB 3.18Å; V105-H109 PolarHBondContact O-N 3.32Å; Q106-H109 PolarHBondContact O-N 2.87Å; H109-G111 PolarHBondContact O-N 3.4Å |
| 110 | D | 86.9 | Confident | 87.8 | Confident | 69 Ų | 69 | 38.1 Ų | 38.1 | 37% | 0.369 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84 | 13.6 | -177.1 | -64.8 | -12 | 0 | 0 | 0 | 112.9 | R79 Q106 I108 Q112 | R79-D110 IonicContact NH2-OD1 2.78Å; R79-D110 PolarHBondContact NH2-OD1 3.29Å; Q106-D110 WeakPolarHBondContact CG-OD2 3.44Å; Q106-D110 VanDerWaalsContact NE2-CG 3.28Å; Q106-D110 PolarHBondContact NE2-OD1 3.33Å; Q106-D110 PolarHBondContact NE2-OD2 2.87Å; Q106-D110 WeakPolarHBondContact O-CB 3.46Å; Q106-D110 PolarHBondContact O-N 3.09Å; I108-D110 VanDerWaalsContact C-N 3.33Å; I108-D110 PolarHBondContact O-N 2.82Å; D110-Q112 VanDerWaalsContact C-N 3.33Å; D110-Q112 PolarHBondContact O-N 3.46Å |
| 111 | G | 87.7 | Confident | 88 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 32.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q48 I108 H109 L113 | Q48-G111 WeakPolarHBondContact CG-O 3.3Å; Q48-G111 PolarHBondContact NE2-O 3.29Å; I108-G111 PolarHBondContact O-N 2.99Å; H109-G111 PolarHBondContact O-N 3.4Å; G111-L113 PolarHBondContact O-N 3.1Å |
| 112 | Q | 87.3 | Confident | 88.4 | Confident | 101 Ų | 101 | 36.2 Ų | 36.2 | 47% | 0.472 | 20% | 0.195 | S | C | . | . | trans | -74.1 | 96.7 | 177.4 | -55.9 | -171.4 | 12.4 | 0 | 0 | 109.5 | G107 D110 K114 S115 I116 | G107-Q112 WeakPolarHBondContact O-CA 3.39Å; G107-Q112 WeakPolarHBondContact O-CB 3.37Å; G107-Q112 PolarHBondContact O-N 3.25Å; D110-Q112 VanDerWaalsContact C-N 3.33Å; D110-Q112 PolarHBondContact O-N 3.46Å; Q112-K114 PolarHBondContact O-N 3.34Å; Q112-S115 PolarHBondContact O-N 3Å; Q112-I116 PolarHBondContact O-N 3.05Å; Q112-I116 VanDerWaalsContact O-N 3.09Å | ||
| 113 | L | 87 | Confident | 88.9 | Confident | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -53.9 | -25.3 | -174.7 | -170.5 | 52.4 | 0 | 0 | 0 | 113.8 | F20 V24 L47 Q48 G111 I116 L117 | F20-L113 HydrophobicContact CE1-CD2 3.77Å; F20-L113 HydrophobicContact CZ-CD2 3.59Å; F20-L113 HydrophobicContact CZ-CG 4.2Å; V24-L113 HydrophobicContact CG2-CD1 4.47Å; V24-L113 HydrophobicContact CG2-CD2 4.14Å; L47-L113 HydrophobicContact CD2-CD1 4.34Å; Q48-L113 HydrophobicContact CB-CD1 4.41Å; Q48-L113 HydrophobicContact CG-CB 4.1Å; G111-L113 PolarHBondContact O-N 3.1Å; L113-I116 HydrophobicContact CD1-CG2 4.38Å; L113-L117 HydrophobicContact CD1-CD1 3.94Å; L113-L117 HydrophobicContact CD1-CD2 4.47Å; L113-L117 HydrophobicContact CD1-CG 3.87Å; L113-L117 HydrophobicContact CG-CD1 3.8Å; L113-L117 HydrophobicContact CG-CG 4.24Å; L113-L117 VanDerWaalsContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CB 3.46Å; L113-L117 WeakPolarHBondContact O-CD1 3.43Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.37Å |
| 114 | K | 84.8 | Confident | 88.9 | Confident | 95 Ų | 95 | 34.5 Ų | 34.5 | 41% | 0.413 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -66.9 | -46.9 | 170.9 | -179.1 | 170 | 175.9 | 172.2 | 0 | 113 | W4 Q112 N118 | W4-K114 HydrophobicContact CD2-CG 4.42Å; W4-K114 HydrophobicContact CG-CD 4.03Å; W4-K114 HydrophobicContact CG-CG 4.15Å; W4-K114 PolarHBondContact O-NZ 2.84Å; Q112-K114 PolarHBondContact O-N 3.34Å; K114-N118 WeakPolarHBondContact O-CB 3.4Å; K114-N118 PolarHBondContact O-N 2.94Å |
| 115 | S | 90.3 | Very high | 88.7 | Confident | 9 Ų | 9 | 38.1 Ų | 38.1 | 6% | 0.063 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -70.1 | -34.9 | 177.6 | -67.9 | 0 | 0 | 0 | 0 | 111.6 | G102 Q112 L119 | G102-S115 PolarHBondContact O-OG 3.17Å; Q112-S115 PolarHBondContact O-N 3Å; S115-L119 WeakPolarHBondContact O-CB 3.45Å; S115-L119 PolarHBondContact O-N 2.97Å |
| 116 | I | 90.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.8 | -53.7 | 172.7 | -71.9 | 169.4 | 0 | 0 | 0 | 111.3 | L47 L51 Q112 L113 N118 L119 F120 | L47-I116 HydrophobicContact CD2-CG2 4.24Å; L47-I116 HydrophobicContact CG-CG2 4.02Å; L51-I116 HydrophobicContact CB-CD1 4.33Å; L51-I116 HydrophobicContact CD1-CG2 3.52Å; Q112-I116 PolarHBondContact O-N 3.05Å; Q112-I116 VanDerWaalsContact O-N 3.09Å; L113-I116 HydrophobicContact CD1-CG2 4.38Å; I116-N118 VanDerWaalsContact C-N 3.28Å; I116-N118 PolarHBondContact O-N 3.32Å; I116-L119 WeakPolarHBondContact O-CB 3.41Å; I116-L119 PolarHBondContact O-N 2.57Å; I116-F120 HydrophobicContact CG2-CD2 4.42Å; I116-F120 WeakPolarHBondContact O-CD2 3.31Å; I116-F120 PolarHBondContact O-N 3.22Å |
| 117 | L | 90.4 | Very high | 88.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.1 | -29.9 | -179.3 | -69.4 | 168.5 | 0 | 0 | 0 | 112.7 | W4 F20 V24 Y27 L47 L113 Y121 | W4-L117 HydrophobicContact CH2-CB 3.49Å; W4-L117 VanDerWaalsContact CH2-CB 3.49Å; W4-L117 HydrophobicContact CH2-CD1 4.05Å; W4-L117 HydrophobicContact CH2-CG 4.37Å; W4-L117 HydrophobicContact CZ2-CB 3.74Å; W4-L117 HydrophobicContact CZ2-CD1 3.66Å; W4-L117 HydrophobicContact CZ2-CG 4.36Å; W4-L117 HydrophobicContact CZ3-CB 4.4Å; F20-L117 HydrophobicContact CE2-CD1 4.43Å; V24-L117 HydrophobicContact CG2-CD1 4.17Å; V24-L117 HydrophobicContact CG2-CD2 4.45Å; Y27-L117 HydrophobicContact CD2-CD2 3.49Å; Y27-L117 VanDerWaalsContact CD2-CD2 3.49Å; Y27-L117 HydrophobicContact CE2-CD2 4.09Å; Y27-L117 HydrophobicContact CG-CD2 4.27Å; L47-L117 HydrophobicContact CD2-CD2 3.71Å; L113-L117 HydrophobicContact CD1-CD1 3.94Å; L113-L117 HydrophobicContact CD1-CD2 4.47Å; L113-L117 HydrophobicContact CD1-CG 3.87Å; L113-L117 HydrophobicContact CG-CD1 3.8Å; L113-L117 HydrophobicContact CG-CG 4.24Å; L113-L117 VanDerWaalsContact O-CB 3.29Å; L113-L117 WeakPolarHBondContact O-CB 3.46Å; L113-L117 WeakPolarHBondContact O-CD1 3.43Å; L113-L117 WeakPolarHBondContact O-CG 3.33Å; L113-L117 PolarHBondContact O-N 3.37Å; L117-Y121 VanDerWaalsContact O-CB 3.29Å; L117-Y121 WeakPolarHBondContact O-CB 3.41Å; L117-Y121 PolarHBondContact O-N 3.44Å |
| 118 | N | 89.2 | Confident | 88.2 | Confident | 30 Ų | 30 | 43 Ų | 43 | 16% | 0.16 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.5 | -40.3 | 173.9 | -166.7 | 72.8 | 0 | 0 | 0 | 112 | D101 V103 K114 I116 Y121 N122 | D101-N118 PolarHBondContact O-ND2 2.84Å; V103-N118 HydrophobicContact CG2-CB 4.28Å; V103-N118 VanDerWaalsContact CG2-ND2 3.34Å; V103-N118 WeakPolarHBondContact CG2-ND2 3.24Å; K114-N118 WeakPolarHBondContact O-CB 3.4Å; K114-N118 PolarHBondContact O-N 2.94Å; I116-N118 VanDerWaalsContact C-N 3.28Å; I116-N118 PolarHBondContact O-N 3.32Å; N118-Y121 PolarHBondContact O-N 3.42Å; N118-N122 WeakPolarHBondContact O-CB 3.46Å; N118-N122 VanDerWaalsContact O-CG 3.26Å; N118-N122 PolarHBondContact O-N 3.33Å |
| 119 | L | 92.5 | Very high | 87.6 | Confident | 4 Ų | 4 | 45.1 Ų | 45.1 | 2% | 0.021 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -49.7 | 170.8 | 174.3 | 65.2 | 0 | 0 | 0 | 111.2 | L57 L90 L93 L100 V103 I108 S115 I116 Y121 N122 L123 | L57-L119 HydrophobicContact CD1-CD2 3.9Å; L90-L119 HydrophobicContact CD2-CD1 4.17Å; L93-L119 HydrophobicContact CD1-CD1 3.63Å; L100-L119 HydrophobicContact CD2-CD1 3.98Å; V103-L119 HydrophobicContact CG1-CB 4.05Å; V103-L119 HydrophobicContact CG1-CD1 4.42Å; V103-L119 HydrophobicContact CG2-CB 4.09Å; I108-L119 HydrophobicContact CD1-CD2 3.83Å; S115-L119 WeakPolarHBondContact O-CB 3.45Å; S115-L119 PolarHBondContact O-N 2.97Å; I116-L119 WeakPolarHBondContact O-CB 3.41Å; I116-L119 PolarHBondContact O-N 2.57Å; L119-Y121 PolarHBondContact O-N 3.3Å; L119-N122 PolarHBondContact O-N 2.92Å; L119-L123 VanDerWaalsContact O-CB 3.27Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 PolarHBondContact O-N 2.83Å |
| 120 | F | 91.8 | Very high | 87.1 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | -179.8 | -88.6 | -103.6 | 0 | 0 | 0 | 112.7 | Y27 W30 A31 L51 I60 I116 S124 | Y27-F120 HydrophobicContact CD1-CB 3.7Å; Y27-F120 HydrophobicContact CD1-CD1 4.28Å; Y27-F120 HydrophobicContact CD1-CG 4.45Å; Y27-F120 HydrophobicContact CE1-CB 4.04Å; Y27-F120 HydrophobicContact CG-CB 4.09Å; W30-F120 AromaticContact CE3-CD1 3.8Å; W30-F120 HydrophobicContact CE3-CD1 3.8Å; W30-F120 HydrophobicContact CE3-CE1 4.04Å; W30-F120 AromaticContact CZ3-CD1 3.64Å; W30-F120 HydrophobicContact CZ3-CD1 3.64Å; W30-F120 AromaticContact CZ3-CE1 3.87Å; W30-F120 HydrophobicContact CZ3-CE1 3.87Å; A31-F120 HydrophobicContact CB-CE1 3.86Å; L51-F120 HydrophobicContact CD1-CD2 4.2Å; L51-F120 HydrophobicContact CD1-CE2 3.38Å; L51-F120 HydrophobicContact CD1-CZ 3.81Å; L51-F120 HydrophobicContact CD2-CE2 4.16Å; L51-F120 HydrophobicContact CD2-CZ 4.15Å; L51-F120 HydrophobicContact CG-CE2 4.45Å; I60-F120 HydrophobicContact CD1-CZ 4.32Å; I60-F120 HydrophobicContact CG2-CE1 4.25Å; I60-F120 HydrophobicContact CG2-CZ 4.03Å; I116-F120 HydrophobicContact CG2-CD2 4.42Å; I116-F120 WeakPolarHBondContact O-CD2 3.31Å; I116-F120 PolarHBondContact O-N 3.22Å; F120-S124 VanDerWaalsContact O-CB 3.27Å; F120-S124 WeakPolarHBondContact O-CB 3.48Å; F120-S124 PolarHBondContact O-N 3.01Å; F120-S124 PolarHBondContact O-OG 2.65Å |
| 121 | Y | 90.5 | Very high | 86.3 | Confident | 103 Ų | 103 | 52.1 Ų | 52.1 | 40% | 0.404 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.1 | -53.4 | 171.2 | 174.7 | -104.9 | 0 | 0 | 0 | 111.3 | L117 N118 L119 L123 S124 W125 | L117-Y121 VanDerWaalsContact O-CB 3.29Å; L117-Y121 WeakPolarHBondContact O-CB 3.41Å; L117-Y121 PolarHBondContact O-N 3.44Å; N118-Y121 PolarHBondContact O-N 3.42Å; L119-Y121 PolarHBondContact O-N 3.3Å; Y121-L123 PolarHBondContact O-N 3.06Å; Y121-S124 PolarHBondContact O-N 2.99Å; Y121-S124 PolarHBondContact O-OG 3.37Å; Y121-W125 AromaticContact CZ-CD1 3.91Å; Y121-W125 PolarHBondContact O-N 3.41Å |
| 122 | N | 90.1 | Very high | 85.5 | Confident | 21 Ų | 21 | 58.3 Ų | 58.3 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -64.4 | -40.1 | -178.5 | -66.2 | -11.6 | 0 | 0 | 0 | 112.2 | V98 Q99 N118 L119 W125 F126 | V98-N122 HydrophobicContact CG1-CB 4.04Å; Q99-N122 WeakPolarHBondContact O-CB 3.44Å; Q99-N122 PolarHBondContact O-ND2 3.03Å; N118-N122 WeakPolarHBondContact O-CB 3.46Å; N118-N122 VanDerWaalsContact O-CG 3.26Å; N118-N122 PolarHBondContact O-N 3.33Å; L119-N122 PolarHBondContact O-N 2.92Å; N122-W125 PolarHBondContact O-N 3.33Å; N122-F126 PolarHBondContact O-N 3.21Å |
| 123 | L | 90 | Very high | 84.5 | Confident | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -64.9 | -39.1 | 175.7 | -163.9 | 71.8 | 0 | 0 | 0 | 111.9 | W30 V64 L93 L119 Y121 K127 | W30-L123 HydrophobicContact CH2-CD2 4.23Å; W30-L123 HydrophobicContact CH2-CG 4.37Å; W30-L123 HydrophobicContact CZ3-CD2 4.45Å; V64-L123 HydrophobicContact CB-CD2 4.27Å; V64-L123 HydrophobicContact CG1-CD1 4.4Å; V64-L123 HydrophobicContact CG1-CD2 3.81Å; V64-L123 HydrophobicContact CG1-CG 3.87Å; V64-L123 HydrophobicContact CG2-CD2 4.43Å; L93-L123 HydrophobicContact CD1-CD1 4.39Å; L93-L123 HydrophobicContact CD2-CD1 3.6Å; L119-L123 VanDerWaalsContact O-CB 3.27Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 PolarHBondContact O-N 2.83Å; Y121-L123 PolarHBondContact O-N 3.06Å; L123-K127 WeakPolarHBondContact O-CB 3.48Å; L123-K127 PolarHBondContact O-N 3.43Å |
| 124 | S | 88 | Confident | 83.3 | Confident | 33 Ų | 33 | 64 Ų | 64 | 23% | 0.231 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.7 | -35.8 | 174.9 | 79.5 | 0 | 0 | 0 | 0 | 112.6 | F120 Y121 K128 | F120-S124 VanDerWaalsContact O-CB 3.27Å; F120-S124 WeakPolarHBondContact O-CB 3.48Å; F120-S124 PolarHBondContact O-N 3.01Å; F120-S124 PolarHBondContact O-OG 2.65Å; Y121-S124 PolarHBondContact O-N 2.99Å; Y121-S124 PolarHBondContact O-OG 3.37Å; S124-K128 WeakPolarHBondContact O-CB 3.09Å; S124-K128 PolarHBondContact O-N 2.95Å |
| 125 | W | 84 | Confident | 81.7 | Confident | 150 Ų | 150 | 68.4 Ų | 68.4 | 57% | 0.568 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.3 | -47.4 | 177.1 | -143.1 | 109.3 | 0 | 0 | 0 | 110.8 | Y121 N122 K127 K128 E129 | Y121-W125 AromaticContact CZ-CD1 3.91Å; Y121-W125 PolarHBondContact O-N 3.41Å; N122-W125 PolarHBondContact O-N 3.33Å; W125-K127 PolarHBondContact O-N 2.92Å; W125-K128 PolarHBondContact O-N 2.69Å; W125-E129 HydrophobicContact CE3-CB 4.27Å; W125-E129 HydrophobicContact CZ3-CB 4.13Å; W125-E129 HydrophobicContact CZ3-CG 4.36Å; W125-E129 PolarHBondContact O-N 3.18Å |
| 126 | F | 87.1 | Confident | 79.5 | Confident | 41 Ų | 41 | 76.4 Ų | 76.4 | 18% | 0.18 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.4 | -49.8 | 173.9 | 177.9 | -94.4 | 0 | 0 | 0 | 111.8 | L65 I96 V98 N122 K128 E129 H130 | L65-F126 HydrophobicContact CD2-CD1 4.03Å; L65-F126 HydrophobicContact CD2-CE1 3.81Å; I96-F126 HydrophobicContact CG2-CD1 4.48Å; I96-F126 HydrophobicContact CG2-CE1 3.64Å; I96-F126 HydrophobicContact CG2-CE2 3.67Å; I96-F126 HydrophobicContact CG2-CZ 3.17Å; I96-F126 WeakPolarHBondContact O-CE2 3.39Å; V98-F126 HydrophobicContact CG2-CB 3.97Å; V98-F126 HydrophobicContact CG2-CD1 4.12Å; V98-F126 HydrophobicContact CG2-CD2 3.93Å; V98-F126 HydrophobicContact CG2-CG 3.71Å; N122-F126 PolarHBondContact O-N 3.21Å; F126-K128 VanDerWaalsContact C-N 3.26Å; F126-K128 PolarHBondContact O-N 3.49Å; F126-E129 PolarHBondContact O-N 3.45Å; F126-E129 VanDerWaalsContact O-N 3.17Å; F126-H130 HydrophobicContact CE1-CB 4.35Å; F126-H130 AromaticContact CE1-CD2 3.9Å; F126-H130 AromaticContact CZ-CD2 3.82Å; F126-H130 WeakPolarHBondContact O-CB 3.2Å; F126-H130 PolarHBondContact O-N 2.73Å |
| 127 | K | 84.1 | Confident | 77 | Confident | 26 Ų | 26 | 84.1 Ų | 84.1 | 11% | 0.113 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 178.8 | -159.4 | -159.3 | -176.4 | 97.5 | 0 | 111.7 | W30 Y34 V64 L123 W125 Y131 | W30-K127 HydrophobicContact CZ2-CD 4.3Å; Y34-K127 WeakPolarHBondContact OH-CE 3.37Å; V64-K127 HydrophobicContact CG1-CD 4.23Å; V64-K127 HydrophobicContact CG1-CG 4.45Å; V64-K127 PolarHBondContact O-NZ 3.01Å; L123-K127 WeakPolarHBondContact O-CB 3.48Å; L123-K127 PolarHBondContact O-N 3.43Å; W125-K127 PolarHBondContact O-N 2.92Å; K127-Y131 HydrophobicContact CG-CD2 4.48Å; K127-Y131 WeakPolarHBondContact O-CB 3.41Å; K127-Y131 PolarHBondContact O-N 3.27Å |
| 128 | K | 82.1 | Confident | 74.3 | Confident | 156 Ų | 156 | 86.3 Ų | 86.3 | 68% | 0.678 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -66.1 | -42.5 | 176.9 | -175.9 | 168.3 | -176.3 | 166.4 | 0 | 112.2 | S124 W125 F126 Y131 R132 | S124-K128 WeakPolarHBondContact O-CB 3.09Å; S124-K128 PolarHBondContact O-N 2.95Å; W125-K128 PolarHBondContact O-N 2.69Å; F126-K128 VanDerWaalsContact C-N 3.26Å; F126-K128 PolarHBondContact O-N 3.49Å; K128-Y131 PolarHBondContact O-N 3.02Å; K128-R132 PolarHBondContact O-N 3.38Å |
| 129 | E | 77.2 | Confident | 71.7 | Confident | 45 Ų | 45 | 89.5 Ų | 89.5 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -70.4 | -38.8 | 177.4 | -169.1 | 57.2 | -161 | 0 | 0 | 111.7 | W125 F126 Y131 R132 M133 | W125-E129 HydrophobicContact CE3-CB 4.27Å; W125-E129 HydrophobicContact CZ3-CB 4.13Å; W125-E129 HydrophobicContact CZ3-CG 4.36Å; W125-E129 PolarHBondContact O-N 3.18Å; F126-E129 PolarHBondContact O-N 3.45Å; F126-E129 VanDerWaalsContact O-N 3.17Å; E129-Y131 VanDerWaalsContact C-N 3.29Å; E129-Y131 PolarHBondContact O-N 2.97Å; E129-R132 VanDerWaalsContact CD-NE 3.29Å; E129-R132 WeakPolarHBondContact O-CA 2.94Å; E129-R132 WeakPolarHBondContact O-CB 3.41Å; E129-R132 PolarHBondContact O-N 3.36Å; E129-R132 IonicContact OE1-CZ 2.67Å; E129-R132 VanDerWaalsContact OE1-CZ 3.22Å; E129-R132 IonicContact OE1-NE 3.76Å; E129-R132 PolarHBondContact OE1-NE 3.01Å; E129-R132 IonicContact OE1-NH2 3.96Å; E129-R132 PolarHBondContact OE1-NH2 2.61Å; E129-R132 IonicContact OE2-CZ 3.85Å; E129-R132 IonicContact OE2-NE 2.8Å; E129-R132 PolarHBondContact OE2-NE 3.21Å; E129-R132 IonicContact OE2-NH2 2.77Å; E129-M133 WeakPolarHBondContact O-CG 3.43Å; E129-M133 PolarHBondContact O-N 3.16Å |
| 130 | H | 76.8 | Confident | 68.7 | Low | 87 Ų | 87 | 95.1 Ų | 95.1 | 40% | 0.403 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.7 | -33.9 | 173.5 | -159.7 | -25.1 | 0 | 0 | 0 | 112.3 | F126 K134 | F126-H130 HydrophobicContact CE1-CB 4.35Å; F126-H130 AromaticContact CE1-CD2 3.9Å; F126-H130 AromaticContact CZ-CD2 3.82Å; F126-H130 WeakPolarHBondContact O-CB 3.2Å; F126-H130 PolarHBondContact O-N 2.73Å; H130-K134 WeakPolarHBondContact O-CB 3.45Å; H130-K134 PolarHBondContact O-N 2.93Å |
| 131 | Y | 70.7 | Confident | 65.8 | Low | 158 Ų | 158 | 104.2 Ų | 104.2 | 62% | 0.62 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68.1 | -37 | 169 | -107.5 | -84.6 | 0 | 0 | 0 | 112.6 | K127 K128 E129 K134 K135 | K127-Y131 HydrophobicContact CG-CD2 4.48Å; K127-Y131 WeakPolarHBondContact O-CB 3.41Å; K127-Y131 PolarHBondContact O-N 3.27Å; K128-Y131 PolarHBondContact O-N 3.02Å; E129-Y131 VanDerWaalsContact C-N 3.29Å; E129-Y131 PolarHBondContact O-N 2.97Å; Y131-K134 PolarHBondContact O-N 3.09Å; Y131-K135 WeakPolarHBondContact O-CB 3.27Å; Y131-K135 PolarHBondContact O-N 3.3Å |
| 132 | R | 70.1 | Confident | 62.9 | Low | 134 Ų | 134 | 106.6 Ų | 106.6 | 51% | 0.506 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -49.1 | 174.8 | -164.6 | 171.4 | 77.5 | 105.8 | 1.8 | 110.5 | K128 E129 K135 Y136 | K128-R132 PolarHBondContact O-N 3.38Å; E129-R132 VanDerWaalsContact CD-NE 3.29Å; E129-R132 WeakPolarHBondContact O-CA 2.94Å; E129-R132 WeakPolarHBondContact O-CB 3.41Å; E129-R132 PolarHBondContact O-N 3.36Å; E129-R132 IonicContact OE1-CZ 2.67Å; E129-R132 VanDerWaalsContact OE1-CZ 3.22Å; E129-R132 IonicContact OE1-NE 3.76Å; E129-R132 PolarHBondContact OE1-NE 3.01Å; E129-R132 IonicContact OE1-NH2 3.96Å; E129-R132 PolarHBondContact OE1-NH2 2.61Å; E129-R132 IonicContact OE2-CZ 3.85Å; E129-R132 IonicContact OE2-NE 2.8Å; E129-R132 PolarHBondContact OE2-NE 3.21Å; E129-R132 IonicContact OE2-NH2 2.77Å; R132-K135 PolarHBondContact O-N 2.96Å; R132-K135 VanDerWaalsContact O-N 3.16Å; R132-Y136 HydrophobicContact CG-CE2 4.43Å; R132-Y136 WeakPolarHBondContact O-CD2 3.43Å; R132-Y136 PolarHBondContact O-N 3.23Å |
| 133 | M | 67.2 | Low | 59.9 | Low | 108 Ų | 108 | 111.4 Ų | 111.4 | 53% | 0.532 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57.2 | -50.8 | 174.7 | -66.2 | -64.7 | -178 | 0 | 0 | 112 | E129 K135 Y136 Q137 | E129-M133 WeakPolarHBondContact O-CG 3.43Å; E129-M133 PolarHBondContact O-N 3.16Å; M133-K135 PolarHBondContact O-N 3.35Å; M133-Y136 PolarHBondContact O-N 2.99Å; M133-Y136 VanDerWaalsContact O-N 3.09Å; M133-Q137 PolarHBondContact O-N 3.49Å |
| 134 | K | 61 | Low | 57 | Low | 138 Ų | 138 | 116.2 Ų | 116.2 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.6 | -26.3 | 177.3 | -81.5 | -177.8 | 171.6 | 173.7 | 0 | 113.5 | H130 Y131 Q137 | H130-K134 WeakPolarHBondContact O-CB 3.45Å; H130-K134 PolarHBondContact O-N 2.93Å; Y131-K134 PolarHBondContact O-N 3.09Å; K134-Q137 PolarHBondContact O-N 3.24Å |
| 135 | K | 51.2 | Low | 54.3 | Low | 187 Ų | 187 | 122.3 Ų | 122.3 | 81% | 0.813 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.6 | -17.9 | 176.7 | -138.4 | -174.1 | -176.6 | -166.1 | 0 | 114 | Y131 R132 M133 | Y131-K135 WeakPolarHBondContact O-CB 3.27Å; Y131-K135 PolarHBondContact O-N 3.3Å; R132-K135 PolarHBondContact O-N 2.96Å; R132-K135 VanDerWaalsContact O-N 3.16Å; M133-K135 PolarHBondContact O-N 3.35Å |
| 136 | Y | 45.3 | Very low | 51.7 | Low | 177 Ų | 177 | 119.2 Ų | 119.2 | 69% | 0.694 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -90.8 | -20.4 | 170.5 | -78.3 | -80.3 | 0 | 0 | 0 | 113 | R132 M133 G138 | R132-Y136 HydrophobicContact CG-CE2 4.43Å; R132-Y136 WeakPolarHBondContact O-CD2 3.43Å; R132-Y136 PolarHBondContact O-N 3.23Å; M133-Y136 PolarHBondContact O-N 2.99Å; M133-Y136 VanDerWaalsContact O-N 3.09Å; Y136-G138 VanDerWaalsContact C-N 3.29Å; Y136-G138 PolarHBondContact O-N 3.01Å |
| 137 | Q | 38.2 | Very low | 49 | Very low | 164 Ų | 164 | 120.2 Ų | 120.2 | 77% | 0.766 | 62% | 0.619 | S | S | * | * | trans | -88.4 | 63.9 | 170.5 | -70.4 | -176.2 | -16 | 0 | 0 | 111.9 | M133 K134 | M133-Q137 PolarHBondContact O-N 3.49Å; K134-Q137 PolarHBondContact O-N 3.24Å | ||
| 138 | G | 33.7 | Very low | 46.4 | Very low | 46 Ų | 46 | 124.1 Ų | 124.1 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | trans | -65 | 159.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y136 S140 | Y136-G138 VanDerWaalsContact C-N 3.29Å; Y136-G138 PolarHBondContact O-N 3.01Å; G138-S140 PolarHBondContact O-N 3.31Å | ||
| 139 | P | 34.4 | Very low | 43.9 | Very low | 97 Ų | 97 | 123 Ų | 123 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | trans | -77.2 | 85.9 | -166.6 | 31.6 | -37.1 | 0 | 0 | 0 | 113.6 | K141 | P139-K141 VanDerWaalsContact C-N 3.28Å; P139-K141 PolarHBondContact O-N 3.48Å | ||
| 140 | S | 29 | Very low | 41.5 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 66% | 0.659 | S | S | * | * | trans | -72.7 | 75.7 | 168.8 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | G138 | G138-S140 PolarHBondContact O-N 3.31Š| ||
| 141 | K | 32.2 | Very low | 39.3 | Very low | 192 Ų | 192 | 131.9 Ų | 131.9 | 84% | 0.835 | 68% | 0.675 | S | S | * | * | trans | -98.3 | 128.1 | 150.2 | -75.8 | -172.1 | 174.3 | -172 | 0 | 106.8 | P139 | P139-K141 VanDerWaalsContact C-N 3.28Å; P139-K141 PolarHBondContact O-N 3.48Å | ||
| 142 | L | 27.9 | Very low | 37.3 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 80% | 0.801 | 68% | 0.684 | S | S | * | * | S | Bend | cis | -120.5 | 167.4 | -6.1 | -61.6 | 90.7 | 0 | 0 | 0 | 106.9 | ||
| 143 | T | 28.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | -167.4 | 125.7 | 53.5 | -59.7 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 144 | A | 29.6 | Very low | 33.6 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 85% | 0.851 | 72% | 0.715 | S | S | * | * | trans | -161.3 | 90.1 | 165 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 145 | L | 30.4 | Very low | 32.2 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 72% | 0.724 | S | S | * | * | trans | -104.2 | 111.1 | 168.3 | -99.8 | 170.1 | 0 | 0 | 0 | 109.2 | ||||
| 146 | S | 29.7 | Very low | 31.2 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | trans | 64.4 | 168.4 | 146.5 | -53.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 147 | S | 30.1 | Very low | 30.6 | Very low | 62 Ų | 62 | 129.6 Ų | 129.6 | 43% | 0.434 | 72% | 0.72 | S | S | . | * | cis | -136.1 | -156.3 | 7.2 | -40 | 0 | 0 | 0 | 0 | 111.2 | T719 T720 | S147-T719 CarbonylContact O-C 3.54Å; S147-T719 WeakPolarHBondContact O-CA 3.4Å; S147-T719 WeakPolarHBondContact O-CB 3.47Å; S147-T720 WeakPolarHBondContact O-CA 3.42Å; S147-T720 WeakPolarHBondContact O-CB 3.34Å; S147-T720 PolarHBondContact O-N 2.87Å; S147-T720 PolarHBondContact O-OG1 3.23Å | ||
| 148 | E | 28.7 | Very low | 30.3 | Very low | 108 Ų | 108 | 127 Ų | 127 | 51% | 0.505 | 72% | 0.72 | S | S | . | * | trans | 63.8 | 167 | 166.5 | -72.2 | -108.1 | 114.4 | 0 | 0 | 115.4 | T719 T720 F721 | E148-T719 HydrophobicContact CB-CG2 4.48Å; E148-T719 WeakPolarHBondContact CB-OG1 3.4Å; E148-T719 HydrophobicContact CG-CG2 4.17Å; E148-T719 WeakPolarHBondContact CG-OG1 3.38Å; E148-T720 WeakPolarHBondContact O-CB 3.37Å; E148-F721 VanDerWaalsContact C-CG 3.42Å; E148-F721 VanDerWaalsContact CA-CZ 3.46Å; E148-F721 HydrophobicContact CB-CD2 3.29Å; E148-F721 HydrophobicContact CB-CE2 3.04Å; E148-F721 HydrophobicContact CB-CZ 4.26Å; E148-F721 HydrophobicContact CG-CD2 4.3Å; E148-F721 HydrophobicContact CG-CE2 3.68Å | ||
| 149 | Q | 30.3 | Very low | 30.1 | Very low | 132 Ų | 132 | 134.4 Ų | 134.4 | 62% | 0.617 | 74% | 0.739 | S | S | * | * | S | Bend | cis | -70.4 | 88.3 | -6.3 | -93.5 | 157.4 | 39.2 | 0 | 0 | 127 | F721 | Q149-F721 VanDerWaalsContact C-CD1 3.43Å; Q149-F721 HydrophobicContact CB-CB 3.42Å; Q149-F721 VanDerWaalsContact CB-CB 3.42Å; Q149-F721 HydrophobicContact CB-CD1 2.76Å; Q149-F721 HydrophobicContact CB-CD2 3.18Å; Q149-F721 HydrophobicContact CB-CE1 3.45Å; Q149-F721 VanDerWaalsContact CB-CE1 3.45Å; Q149-F721 HydrophobicContact CB-CE2 3.79Å; Q149-F721 HydrophobicContact CB-CG 2.61Å; Q149-F721 HydrophobicContact CB-CZ 3.93Å; Q149-F721 HydrophobicContact CG-CB 3.46Å; Q149-F721 VanDerWaalsContact CG-CB 3.46Å; Q149-F721 HydrophobicContact CG-CD1 3.96Å; Q149-F721 HydrophobicContact CG-CD2 3.29Å; Q149-F721 HydrophobicContact CG-CE2 4.27Å; Q149-F721 HydrophobicContact CG-CG 3.1Å; Q149-F721 WeakPolarHBondContact O-CE1 3.39Å; Q149-F721 VanDerWaalsContact O-CZ 3.24Å; Q149-F721 WeakPolarHBondContact O-CZ 3.47Å |
| 150 | K | 27.7 | Very low | 30 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 133.5 | 113.5 | -160 | -84.9 | 151.9 | -175.1 | -177.4 | 0 | 105.7 | F721 | K150-F721 HydrophobicContact CB-CZ 3.98Å; K150-F721 WeakPolarHBondContact O-CZ 3.49Å |
| 151 | Q | 29.3 | Very low | 30.1 | Very low | 155 Ų | 155 | 134 Ų | 134 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | cis | -165.1 | 149.8 | 3.1 | -128.6 | 155.4 | -26 | 0 | 0 | 109 | ||||
| 152 | P | 30.1 | Very low | 30.1 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | trans | -87.2 | 121.7 | -170.5 | 32.3 | -33.9 | 0 | 0 | 0 | 113.8 | ||||
| 153 | S | 28.7 | Very low | 30.2 | Very low | 112 Ų | 112 | 126.2 Ų | 126.2 | 78% | 0.783 | 75% | 0.746 | S | S | * | * | trans | -157.5 | 119.1 | 162.1 | 48 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 154 | R | 30.7 | Very low | 30.4 | Very low | 239 Ų | 239 | 127.2 Ų | 127.2 | 90% | 0.902 | 74% | 0.741 | S | S | * | * | trans | 43.2 | 106.8 | 150.9 | -59 | -175.3 | 177.2 | -148.2 | -3.2 | 121.1 | ||||
| 155 | L | 30.7 | Very low | 30.4 | Very low | 151 Ų | 151 | 131 Ų | 131 | 79% | 0.791 | 74% | 0.741 | S | S | * | * | 37.4 | 147.9 | 110 | -71.5 | 167.9 | 0 | 0 | 0 | 120.4 | T157 | L155-T157 HydrophobicContact CD2-CG2 4.18Š| |||
| 156 | P | 30.8 | Very low | 30.2 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 74% | 0.735 | S | S | * | * | cis | -147.6 | 134.5 | 40.6 | 38.6 | -16.7 | 0 | 0 | 0 | 120.6 | ||||
| 157 | T | 31.4 | Very low | 30.1 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | 51.2 | 140.8 | 132.6 | 67.7 | 0 | 0 | 0 | 0 | 125.9 | L155 | L155-T157 HydrophobicContact CD2-CG2 4.18Š| ||
| 158 | S | 32.1 | Very low | 30 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | 103.7 | 144.4 | 136 | 88 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 159 | K | 29.6 | Very low | 29.9 | Very low | 202 Ų | 202 | 137.3 Ų | 137.3 | 88% | 0.878 | 77% | 0.766 | S | S | * | * | cis | -159.7 | 159.6 | -21 | -120.4 | 174.7 | -176.5 | 175.5 | 0 | 111.3 | ||||
| 160 | A | 32.2 | Very low | 29.6 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 68.3 | 161 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 161 | S | 32.1 | Very low | 29.6 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | cis | -168.7 | 154.7 | -42.6 | -159.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 162 | A | 31.4 | Very low | 29.5 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 86% | 0.86 | 77% | 0.772 | S | S | * | * | trans | 64.8 | 158.9 | 153.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 163 | G | 31.2 | Very low | 29.3 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 81% | 0.814 | 78% | 0.776 | S | S | * | * | trans | 126 | 84.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 164 | H | 31.8 | Very low | 29.2 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | -151.4 | 105.1 | -163.1 | 177.9 | -76 | 0 | 0 | 0 | 113.4 | ||||
| 165 | E | 28.9 | Very low | 29 | Very low | 182 Ų | 182 | 126.7 Ų | 126.7 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -120.9 | 145.5 | 165.8 | -74.2 | -152.9 | 126.3 | 0 | 0 | 112.9 | ||||
| 166 | K | 28 | Very low | 28.8 | Very low | 163 Ų | 163 | 126 Ų | 126 | 71% | 0.709 | 77% | 0.769 | S | S | * | * | trans | -123.6 | 161.9 | 164.8 | -62.1 | 172.1 | 179.6 | 169.9 | 0 | 107 | ||||
| 167 | L | 27.6 | Very low | 28.7 | Very low | 161 Ų | 161 | 129.1 Ų | 129.1 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 156.3 | 148.7 | 153.2 | -87.2 | 158.5 | 0 | 0 | 0 | 106.9 | ||||
| 168 | N | 27 | Very low | 28.6 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | cis | -151.1 | 175.6 | -21.4 | -164.2 | 20.3 | 0 | 0 | 0 | 108 | ||||
| 169 | C | 25.6 | Very low | 28.5 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 60% | 0.595 | 78% | 0.778 | S | S | * | * | trans | -120.6 | 178 | 167.3 | 53.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 170 | N | 25.9 | Very low | 28.6 | Very low | 135 Ų | 135 | 124.8 Ų | 124.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 100.6 | 153.5 | 164.8 | -48.9 | -16.4 | 0 | 0 | 0 | 118.8 | ||||
| 171 | T | 26.6 | Very low | 28.5 | Very low | 129 Ų | 129 | 125 Ų | 125 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 94.8 | 111.2 | 145.1 | -50.6 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 172 | A | 26.7 | Very low | 28.4 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 68% | 0.678 | 76% | 0.762 | S | S | * | * | trans | 57.2 | 150.7 | 142.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 173 | V | 26.2 | Very low | 28.3 | Very low | 150 Ų | 150 | 123.9 Ų | 123.9 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | cis | 72.9 | 72 | 15.2 | -163.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 174 | A | 26.9 | Very low | 28.3 | Very low | 102 Ų | 102 | 125.7 Ų | 125.7 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | -152.4 | 154.2 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 175 | S | 27.1 | Very low | 28.1 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | trans | -112.5 | 163.5 | -178.3 | -55.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 176 | N | 26.1 | Very low | 28.1 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 70.4 | 131.8 | 155.7 | -69.1 | 3.4 | 0 | 0 | 0 | 120.8 | ||||
| 177 | M | 28.8 | Very low | 28.5 | Very low | 176 Ų | 176 | 121.4 Ų | 121.4 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | 57 | 139.6 | 134.7 | -63.6 | 173.2 | 171.3 | 0 | 0 | 119.5 | ||||
| 178 | A | 29.8 | Very low | 28.9 | Very low | 79 Ų | 79 | 118.9 Ų | 118.9 | 65% | 0.653 | 74% | 0.74 | S | S | * | * | cis | 172.7 | 158.2 | -3.4 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 179 | N | 29.4 | Very low | 29.2 | Very low | 160 Ų | 160 | 116.6 Ų | 116.6 | 86% | 0.856 | 74% | 0.741 | S | S | * | * | trans | 61.4 | 158 | 164.4 | -74.7 | -1.2 | 0 | 0 | 0 | 117.4 | ||||
| 180 | S | 32.5 | Very low | 29.5 | Very low | 96 Ų | 96 | 120 Ų | 120 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -153.6 | -168.1 | -20.3 | 50.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 181 | N | 29.3 | Very low | 29.9 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 55% | 0.551 | 75% | 0.749 | S | S | * | * | cis | -167 | 150.9 | 20.8 | -155.5 | -19.6 | 0 | 0 | 0 | 109.8 | G183 | N181-G183 PolarHBondContact OD1-N 2.92Š| ||
| 182 | S | 30.3 | Very low | 30.6 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -151.7 | 54.8 | 159.4 | 71.2 | 0 | 0 | 0 | 0 | 112.2 | ||
| 183 | G | 28.3 | Very low | 31 | Very low | 62 Ų | 62 | 119.4 Ų | 119.4 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 119.3 | 126 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | N181 | N181-G183 PolarHBondContact OD1-N 2.92Š|
| 184 | P | 32.5 | Very low | 31.3 | Very low | 117 Ų | 117 | 117.4 Ų | 117.4 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | S | Bend | cis | -106.4 | 160.1 | -39.5 | 36.6 | -25.7 | 0 | 0 | 0 | 109.8 | ||
| 185 | T | 26 | Very low | 31.5 | Very low | 90 Ų | 90 | 119.4 Ų | 119.4 | 55% | 0.552 | 73% | 0.728 | S | S | * | * | -174.2 | 144.5 | 69.7 | -68.5 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 186 | Q | 29.7 | Very low | 31.6 | Very low | 172 Ų | 172 | 121.5 Ų | 121.5 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | trans | 34.3 | 117.3 | 159.1 | -58.7 | 166.1 | 33.8 | 0 | 0 | 119.2 | ||||
| 187 | V | 35.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 120.2 Ų | 120.2 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | 68.9 | 138.4 | 65.2 | 175.7 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 188 | P | 37.2 | Very low | 31.8 | Very low | 108 Ų | 108 | 116.5 Ų | 116.5 | 70% | 0.701 | 72% | 0.717 | S | S | * | * | cis | -110.2 | 174.4 | -6.8 | 20.1 | 3.1 | 0 | 0 | 0 | 113.1 | ||||
| 189 | A | 31.8 | Very low | 31.7 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | cis | 96.7 | 168.9 | 20.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 190 | I | 33.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 114.4 Ų | 114.4 | 82% | 0.821 | 72% | 0.715 | S | S | * | * | trans | 91.3 | 139.9 | 163.2 | -71 | 161.1 | 0 | 0 | 0 | 116.6 | ||||
| 191 | P | 33.1 | Very low | 31.6 | Very low | 104 Ų | 104 | 116.3 Ų | 116.3 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | -150.4 | -167.2 | -103 | 46.7 | -24.2 | 0 | 0 | 0 | 118.3 | |||||
| 192 | V | 42.9 | Very low | 31.6 | Very low | 111 Ų | 111 | 117.5 Ų | 117.5 | 67% | 0.673 | 73% | 0.734 | S | S | * | * | 15.9 | 131.2 | 124.3 | -175 | 0 | 0 | 0 | 0 | 117.7 | T194 | V192-T194 HydrophobicContact CG1-CG2 3.52Š| |||
| 193 | P | 33.7 | Very low | 32 | Very low | 118 Ų | 118 | 117.3 Ų | 117.3 | 77% | 0.766 | 73% | 0.73 | S | S | * | * | -139.5 | 158.5 | 74.3 | 22.5 | 1.4 | 0 | 0 | 0 | 115.5 | |||||
| 194 | T | 33.3 | Very low | 32 | Very low | 108 Ų | 108 | 117.9 Ų | 117.9 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | cis | 105.7 | 157.3 | 20.8 | 59.4 | 0 | 0 | 0 | 0 | 116.3 | V192 | V192-T194 HydrophobicContact CG1-CG2 3.52Š| ||
| 195 | E | 31.5 | Very low | 31.7 | Very low | 144 Ų | 144 | 115.4 Ų | 115.4 | 67% | 0.673 | 73% | 0.731 | S | S | * | * | trans | 92.2 | 143.2 | 163.3 | -47.1 | -137.8 | 140.7 | 0 | 0 | 117.4 | ||||
| 196 | K | 29.2 | Very low | 31.7 | Very low | 151 Ų | 151 | 117.6 Ų | 117.6 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -166.5 | 163 | -13 | -115.6 | 177.7 | -170.3 | 144 | 0 | 110.1 | ||||
| 197 | S | 28.6 | Very low | 31.5 | Very low | 111 Ų | 111 | 115.3 Ų | 115.3 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | 55.9 | 153.9 | 147.6 | 55.3 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 198 | S | 30.3 | Very low | 31 | Very low | 98 Ų | 98 | 114.7 Ų | 114.7 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | cis | -167.7 | 175.6 | -14.9 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 199 | S | 27.7 | Very low | 30.5 | Very low | 99 Ų | 99 | 113.6 Ų | 113.6 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | 50.2 | 110 | 144.7 | 54.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 200 | A | 27.5 | Very low | 30.3 | Very low | 96 Ų | 96 | 114.4 Ų | 114.4 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | 90.7 | 167.9 | 59 | 0 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 201 | T | 31.3 | Very low | 30.4 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 83% | 0.834 | 74% | 0.737 | S | S | * | * | trans | 93.9 | 108.1 | 168.7 | -48.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 202 | T | 30.5 | Very low | 30.7 | Very low | 127 Ų | 127 | 116.3 Ų | 116.3 | 78% | 0.779 | 75% | 0.746 | S | S | * | * | trans | -61.3 | -172.3 | 155.6 | 23.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 203 | P | 37.4 | Very low | 30 | Very low | 126 Ų | 126 | 113.4 Ų | 113.4 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | cis | -130.6 | -162.6 | -34.9 | 36.3 | -17.9 | 0 | 0 | 0 | 111.1 | ||||
| 204 | G | 28 | Very low | 29.6 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | 123.8 | 161.6 | 143.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 205 | G | 27.1 | Very low | 29.3 | Very low | 65 Ų | 65 | 117.4 Ų | 117.4 | 67% | 0.67 | 74% | 0.737 | S | S | * | * | trans | 72.7 | 115.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 206 | V | 25.8 | Very low | 29 | Very low | 136 Ų | 136 | 116.6 Ų | 116.6 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | cis | 54.8 | 112.2 | 24.8 | -143.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 207 | V | 25.3 | Very low | 28.8 | Very low | 124 Ų | 124 | 114.8 Ų | 114.8 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | -161.6 | 152.3 | 69.8 | 159.8 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 208 | V | 26.4 | Very low | 28.6 | Very low | 122 Ų | 122 | 118 Ų | 118 | 74% | 0.739 | 74% | 0.744 | S | S | * | * | trans | -0.7 | 133.6 | 144.7 | -166.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 209 | A | 26.1 | Very low | 28.4 | Very low | 86 Ų | 86 | 118.3 Ų | 118.3 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | -164.5 | 130.6 | 69.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 210 | S | 26.6 | Very low | 28.2 | Very low | 107 Ų | 107 | 121.9 Ų | 121.9 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | 102.5 | 144.7 | 75.2 | -69.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 211 | E | 36.7 | Very low | 28.2 | Very low | 169 Ų | 169 | 121.4 Ų | 121.4 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -67.3 | 163 | 171.3 | -55.9 | -171 | 148.6 | 0 | 0 | 110.6 | ||||
| 212 | P | 39.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 119.1 Ų | 119.1 | 88% | 0.877 | 74% | 0.738 | S | S | * | * | -118.4 | 156 | 89 | 35.8 | -35.7 | 0 | 0 | 0 | 113 | |||||
| 213 | G | 27.8 | Very low | 28.5 | Very low | 51 Ų | 51 | 118.1 Ų | 118.1 | 53% | 0.526 | 73% | 0.734 | S | S | . | * | cis | 144.8 | 124.1 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 214 | E | 26.3 | Very low | 27.9 | Very low | 143 Ų | 143 | 118 Ų | 118 | 67% | 0.668 | 73% | 0.726 | S | S | * | * | trans | 44.2 | 108.6 | 145.3 | -58.7 | -157.5 | 110.6 | 0 | 0 | 119.8 | ||||
| 215 | K | 24.9 | Very low | 27.7 | Very low | 166 Ų | 166 | 122.9 Ų | 122.9 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | 83.9 | 174.7 | 101.8 | -72.4 | 174.2 | -179 | 165.3 | 0 | 112.2 | |||||
| 216 | V | 26 | Very low | 27.8 | Very low | 128 Ų | 128 | 127 Ų | 127 | 78% | 0.776 | 73% | 0.728 | S | S | * | * | trans | 64.3 | 114.7 | 163.4 | -144.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 217 | T | 26.1 | Very low | 27.7 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 69% | 0.693 | 72% | 0.723 | S | S | * | * | cis | -159.3 | 170.2 | 12.5 | 3.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 218 | K | 23.5 | Very low | 27.9 | Very low | 178 Ų | 178 | 129 Ų | 129 | 77% | 0.774 | 72% | 0.72 | S | S | * | * | 39.9 | 152 | 84.6 | -157.7 | -165.3 | 172 | -173.5 | 0 | 114.6 | |||||
| 219 | V | 26.1 | Very low | 27.8 | Very low | 105 Ų | 105 | 127.9 Ų | 127.9 | 64% | 0.636 | 72% | 0.718 | S | S | * | * | trans | 80 | 107.7 | 176.8 | -162.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 220 | E | 23.5 | Very low | 27.7 | Very low | 174 Ų | 174 | 132.5 Ų | 132.5 | 81% | 0.813 | 72% | 0.722 | S | S | * | * | 67.4 | 132.5 | 63.1 | -165.3 | 178.3 | -173.1 | 0 | 0 | 109 | |||||
| 221 | A | 27.9 | Very low | 27.6 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 70% | 0.702 | 72% | 0.722 | S | S | * | * | cis | -142.4 | 176.8 | 20.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 222 | A | 35.9 | Very low | 27 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 73% | 0.725 | S | S | * | * | trans | -65.4 | 164.7 | 148.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 223 | P | 30.8 | Very low | 26.6 | Very low | 107 Ų | 107 | 129 Ų | 129 | 70% | 0.695 | 72% | 0.719 | S | S | * | * | -152.7 | 167.5 | 100.4 | 39.9 | -23.7 | 0 | 0 | 0 | 116.3 | |||||
| 224 | N | 25.5 | Very low | 26.7 | Very low | 122 Ų | 122 | 133.9 Ų | 133.9 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | trans | 48.9 | 115.5 | 139.3 | -67.4 | -25.6 | 0 | 0 | 0 | 119.9 | ||||
| 225 | K | 25 | Very low | 27 | Very low | 176 Ų | 176 | 132.9 Ų | 132.9 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | 83.2 | 160.1 | 73.2 | -77.1 | 178.9 | -169.1 | 169.9 | 0 | 113.4 | |||||
| 226 | H | 28.1 | Very low | 27 | Very low | 151 Ų | 151 | 129.1 Ų | 129.1 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | trans | 70.5 | 127.7 | -164.9 | -54.8 | -67 | 0 | 0 | 0 | 112.3 | ||||
| 227 | E | 23.2 | Very low | 27.2 | Very low | 152 Ų | 152 | 133.9 Ų | 133.9 | 71% | 0.71 | 74% | 0.737 | S | S | * | * | cis | 74.3 | 157.2 | 47.2 | -63.9 | -174.2 | 110.3 | 0 | 0 | 114.1 | ||||
| 228 | H | 29.1 | Very low | 27.3 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | 64.8 | 86 | 172.4 | -57.6 | -68.1 | 0 | 0 | 0 | 118.1 | ||||
| 229 | S | 24.8 | Very low | 27.8 | Very low | 98 Ų | 98 | 132.5 Ų | 132.5 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | 73.8 | 146 | 116.1 | 78.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 230 | K | 23.9 | Very low | 27.8 | Very low | 183 Ų | 183 | 138 Ų | 138 | 80% | 0.796 | 75% | 0.745 | S | S | * | * | trans | 56.7 | 131.1 | 136.4 | -78.5 | -178.4 | 176.6 | -179 | 0 | 121 | ||||
| 231 | L | 25.1 | Very low | 28.2 | Very low | 146 Ų | 146 | 133.5 Ų | 133.5 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | trans | 73 | 117.5 | 144.3 | -91.5 | 77.8 | 0 | 0 | 0 | 120.1 | ||||
| 232 | S | 24.5 | Very low | 28.4 | Very low | 121 Ų | 121 | 135.9 Ų | 135.9 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | 72.9 | 150.5 | 134.3 | 72.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 233 | G | 30.6 | Very low | 28 | Very low | 72 Ų | 72 | 138 Ų | 138 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 158.6 | 49.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 234 | I | 28.9 | Very low | 27.9 | Very low | 153 Ų | 153 | 138.5 Ų | 138.5 | 79% | 0.785 | 75% | 0.751 | S | S | * | * | trans | -94.2 | 132.1 | -176.4 | -49.4 | 174.5 | 0 | 0 | 0 | 110.7 | ||||
| 235 | P | 32.7 | Very low | 27.9 | Very low | 121 Ų | 121 | 143.9 Ų | 143.9 | 79% | 0.786 | 76% | 0.762 | S | S | * | * | trans | -127.7 | 122.8 | 131.8 | 33.5 | -23.4 | 0 | 0 | 0 | 109.3 | ||||
| 236 | S | 25.1 | Very low | 28.1 | Very low | 88 Ų | 88 | 143 Ų | 143 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | cis | 67.9 | 90.3 | 26.1 | -161.6 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 237 | Y | 31.9 | Very low | 28.1 | Very low | 228 Ų | 228 | 141.8 Ų | 141.8 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -152.3 | 97.7 | 151 | -130.1 | -93 | 0 | 0 | 0 | 106 | ||||
| 238 | S | 27.8 | Very low | 28.1 | Very low | 89 Ų | 89 | 138 Ų | 138 | 62% | 0.622 | 76% | 0.761 | S | S | * | * | cis | 99 | 98.9 | 34.1 | -169.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 239 | Q | 33.1 | Very low | 28 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | trans | -177.5 | 143.5 | 149.5 | -103.6 | 169.7 | 91 | 0 | 0 | 109.2 | ||||
| 240 | R | 26.9 | Very low | 28 | Very low | 219 Ų | 219 | 134.2 Ų | 134.2 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | cis | -170 | 147.2 | -24.4 | 154.7 | 174.9 | -84.4 | -172.2 | -4.6 | 108.4 | ||||
| 241 | A | 30.4 | Very low | 28.2 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | trans | 69.3 | 150.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 242 | T | 32 | Very low | 28.3 | Very low | 134 Ų | 134 | 131.1 Ų | 131.1 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | cis | -156.3 | 151 | -13.8 | 11.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 243 | T | 28.2 | Very low | 28.4 | Very low | 132 Ų | 132 | 131 Ų | 131 | 81% | 0.81 | 76% | 0.756 | S | S | * | * | trans | -80.4 | 146.9 | 163 | 51.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 244 | P | 29.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 137.1 Ų | 137.1 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | -142.7 | 177.4 | 108.3 | 22.4 | -1.2 | 0 | 0 | 0 | 112.7 | |||||
| 245 | R | 25.2 | Very low | 28.1 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | cis | -176.1 | 172.7 | -28.6 | -172.6 | 171.1 | -174 | -139.5 | 6.1 | 106.5 | ||||
| 246 | Q | 28.7 | Very low | 28 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | -59.7 | 155.7 | 167.2 | -59.7 | 172.3 | -61.1 | 0 | 0 | 111.5 | A248 | Q246-A248 HydrophobicContact CB-CB 3.85Å; Q246-A248 HydrophobicContact CG-CB 4.41Å | ||
| 247 | P | 28.3 | Very low | 28.4 | Very low | 125 Ų | 125 | 136.2 Ų | 136.2 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | -116.4 | 149.8 | 77.3 | 0.8 | 19.9 | 0 | 0 | 0 | 112.4 | |||||
| 248 | A | 24.4 | Very low | 28.3 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 60% | 0.603 | 75% | 0.745 | S | S | * | * | cis | 64.3 | 81.8 | 13.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | Q246 | Q246-A248 HydrophobicContact CB-CB 3.85Å; Q246-A248 HydrophobicContact CG-CB 4.41Å | ||
| 249 | G | 25.6 | Very low | 28.5 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | 77.7 | 103.5 | 146.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 250 | A | 26.2 | Very low | 28.7 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 74% | 0.736 | 75% | 0.749 | S | S | * | * | trans | -159.5 | 123.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 251 | T | 26.1 | Very low | 28.6 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | 13.6 | 135.5 | 107.8 | 1.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 252 | L | 28 | Very low | 28.7 | Very low | 145 Ų | 145 | 132.7 Ų | 132.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | cis | -135.9 | 141.1 | 27.1 | -75.2 | 149.9 | 0 | 0 | 0 | 109.4 | ||||
| 253 | N | 26.2 | Very low | 28.6 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 63% | 0.626 | 75% | 0.753 | S | S | * | * | 75.6 | 150.8 | 55.3 | -168.6 | 20.3 | 0 | 0 | 0 | 113.2 | |||||
| 254 | R | 27.4 | Very low | 29 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | 76.6 | 141.7 | 173.6 | -68.3 | -177.7 | 155.4 | -102.4 | -5.4 | 118.9 | ||||
| 255 | Q | 26 | Very low | 29.1 | Very low | 126 Ų | 126 | 132.7 Ų | 132.7 | 59% | 0.589 | 75% | 0.75 | S | S | * | * | cis | -177.4 | 114.3 | -36 | -119 | 175 | -12.1 | 0 | 0 | 109.6 | ||||
| 256 | V | 30.7 | Very low | 29.4 | Very low | 137 Ų | 137 | 125.1 Ų | 125.1 | 83% | 0.83 | 75% | 0.745 | S | S | * | * | trans | 52 | -160.8 | 155.2 | -110.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 257 | P | 33.4 | Very low | 29.9 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 52% | 0.519 | 75% | 0.748 | S | S | . | * | cis | -129.9 | 177.3 | -24.7 | 17.6 | 7.4 | 0 | 0 | 0 | 116 | ||||
| 258 | Y | 31.3 | Very low | 30 | Very low | 227 Ų | 227 | 123 Ų | 123 | 89% | 0.89 | 75% | 0.748 | S | S | * | * | trans | 82.9 | 145.2 | 154.8 | -53.6 | -50.3 | 0 | 0 | 0 | 121.8 | ||||
| 259 | G | 30.7 | Very low | 30.3 | Very low | 71 Ų | 71 | 124.1 Ų | 124.1 | 73% | 0.732 | 75% | 0.751 | S | S | * | * | trans | -101.7 | -137.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 260 | P | 36.9 | Very low | 30.5 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 79% | 0.792 | 75% | 0.754 | S | S | * | * | cis | -141.5 | 170.1 | 19.8 | 42.5 | -23.5 | 0 | 0 | 0 | 118.7 | ||||
| 261 | S | 26.5 | Very low | 30.7 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | trans | 7.7 | 134.4 | 146.9 | -44.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 262 | K | 30.7 | Very low | 30.9 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | 158.2 | 117.4 | 111.6 | -85.7 | -179.8 | -177.7 | -179.2 | 0 | 115.4 | |||||
| 263 | L | 31.2 | Very low | 30.9 | Very low | 159 Ų | 159 | 126.4 Ų | 126.4 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | 48 | 161.2 | 129.2 | -67 | 165.7 | 0 | 0 | 0 | 123.1 | |||||
| 264 | P | 36.7 | Very low | 31 | Very low | 104 Ų | 104 | 123.8 Ų | 123.8 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | cis | -137.9 | 173.4 | -20 | 36.3 | -16.8 | 0 | 0 | 0 | 117.3 | ||||
| 265 | S | 30.6 | Very low | 31.1 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 85% | 0.846 | 76% | 0.764 | S | S | * | * | trans | 61.6 | 140.4 | 144.3 | 62.1 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 266 | G | 32 | Very low | 31.4 | Very low | 75 Ų | 75 | 123.5 Ų | 123.5 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | 144 | 124.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 267 | P | 39.5 | Very low | 31.3 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | -121.1 | 178.6 | -165.3 | 43.4 | -34.8 | 0 | 0 | 0 | 118.7 | ||||
| 268 | S | 30.2 | Very low | 30.9 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | 82.1 | 149.9 | 164.7 | 86.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 269 | S | 30.5 | Very low | 30.7 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | -155.9 | 155.4 | 0 | 38.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 270 | T | 30 | Very low | 30.6 | Very low | 145 Ų | 145 | 122.5 Ų | 122.5 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | trans | 53.6 | 131.7 | 152.8 | 52.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 271 | G | 29.5 | Very low | 30.1 | Very low | 84 Ų | 84 | 123 Ų | 123 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 146.6 | 106.2 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 272 | S | 31 | Very low | 30.3 | Very low | 110 Ų | 110 | 121.2 Ų | 121.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -132.5 | 143.4 | -178.5 | 179.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 273 | L | 28.8 | Very low | 30.3 | Very low | 142 Ų | 142 | 123 Ų | 123 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | 169.7 | 154.7 | 126.2 | -92 | 173 | 0 | 0 | 0 | 113.3 | Y275 | L273-Y275 HydrophobicContact CD2-CE2 3.77Š| |||
| 274 | G | 28.6 | Very low | 30.1 | Very low | 63 Ų | 63 | 121.7 Ų | 121.7 | 65% | 0.649 | 77% | 0.774 | S | S | * | * | trans | -171.9 | 153.2 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 275 | Y | 28.9 | Very low | 29.8 | Very low | 204 Ų | 204 | 119.9 Ų | 119.9 | 80% | 0.8 | 78% | 0.775 | S | S | * | * | trans | -152 | 149.7 | -175 | -75.9 | -67.7 | 0 | 0 | 0 | 114.8 | L273 | L273-Y275 HydrophobicContact CD2-CE2 3.77Š| ||
| 276 | P | 31.4 | Very low | 29.9 | Very low | 117 Ų | 117 | 122 Ų | 122 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -131 | 168.7 | 174.8 | 43.2 | -30.6 | 0 | 0 | 0 | 117.4 | ||||
| 277 | K | 28 | Very low | 29.9 | Very low | 190 Ų | 190 | 126.3 Ų | 126.3 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | trans | 70.4 | 120.4 | 144.2 | -109.7 | -169 | 175.3 | -179.8 | 0 | 125.1 | ||||
| 278 | T | 26.8 | Very low | 29.7 | Very low | 115 Ų | 115 | 127 Ų | 127 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 65 | 113.3 | 130.6 | 44.4 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 279 | A | 26.1 | Very low | 29.9 | Very low | 92 Ų | 92 | 126 Ų | 126 | 76% | 0.76 | 75% | 0.753 | S | S | * | * | 77.9 | 105.8 | 108.1 | 0 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 280 | A | 28.3 | Very low | 30 | Very low | 97 Ų | 97 | 128 Ų | 128 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | 71.8 | 134.2 | 113.9 | 0 | 0 | 0 | 0 | 0 | 126.5 | |||||
| 281 | S | 27.4 | Very low | 30.2 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | trans | 117.1 | 153.6 | 131.6 | 81.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 282 | G | 30.8 | Very low | 30.3 | Very low | 68 Ų | 68 | 127.7 Ų | 127.7 | 70% | 0.701 | 73% | 0.729 | S | S | * | * | trans | 121 | 125.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 283 | R | 30.1 | Very low | 30.4 | Very low | 229 Ų | 229 | 126 Ų | 126 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | cis | 94 | 145 | 30 | -80.8 | -162.5 | 151.5 | 150.6 | 1 | 115.2 | ||||
| 284 | E | 27.2 | Very low | 30.4 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 61% | 0.607 | 71% | 0.712 | S | S | * | * | cis | -169.8 | 131 | -27.6 | -147.2 | -170.9 | 119.9 | 0 | 0 | 111.5 | K286 | E284-K286 IonicContact OE1-NZ 2.69Å; E284-K286 PolarHBondContact OE1-NZ 2.94Å | ||
| 285 | G | 30.7 | Very low | 30.4 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 72% | 0.72 | S | S | * | * | trans | 69.2 | -173.5 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 286 | K | 33 | Very low | 30.4 | Very low | 164 Ų | 164 | 122.5 Ų | 122.5 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | cis | -176.9 | 177.2 | -15 | -104.2 | 162.3 | -178.5 | 157.9 | 0 | 108.8 | E284 | E284-K286 IonicContact OE1-NZ 2.69Å; E284-K286 PolarHBondContact OE1-NZ 2.94Å | ||
| 287 | M | 31.6 | Very low | 30.2 | Very low | 166 Ų | 166 | 122.6 Ų | 122.6 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | trans | 79.7 | 152.2 | 158.4 | -53.5 | -161.2 | -67.8 | 0 | 0 | 118.3 | ||||
| 288 | L | 34.2 | Very low | 30.2 | Very low | 138 Ų | 138 | 119.9 Ų | 119.9 | 72% | 0.723 | 73% | 0.729 | S | S | * | * | cis | -156 | -163.6 | -16.4 | -108.7 | 169.6 | 0 | 0 | 0 | 107.9 | ||||
| 289 | D | 34.6 | Very low | 30.1 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 51% | 0.513 | 74% | 0.735 | S | S | . | * | cis | -147.6 | 163.6 | 9 | -121.7 | 2.4 | 0 | 0 | 0 | 106.7 | ||||
| 290 | K | 33 | Very low | 30.2 | Very low | 139 Ų | 139 | 125.6 Ų | 125.6 | 60% | 0.604 | 73% | 0.734 | S | S | * | * | cis | 78.5 | 149.9 | 45.7 | -170.6 | -164.5 | 163.9 | -155.6 | 0 | 112.3 | ||||
| 291 | F | 33 | Very low | 30.2 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | cis | -98.7 | -137.1 | 5.9 | -62.6 | -109.3 | 0 | 0 | 0 | 110.9 | ||||
| 292 | G | 32.7 | Very low | 30.2 | Very low | 61 Ų | 61 | 129.4 Ų | 129.4 | 63% | 0.629 | 73% | 0.727 | S | S | * | * | cis | 166.7 | 170.3 | -3.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 293 | L | 32.6 | Very low | 30.4 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 39% | 0.387 | 73% | 0.727 | S | S | . | * | cis | -168.2 | 152.5 | -19.2 | -102.4 | 175.7 | 0 | 0 | 0 | 109.1 | P1194 A1196 | L293-P1194 HydrophobicContact CD1-CB 4.38Å; L293-A1196 HydrophobicContact CB-CB 4.08Å; L293-A1196 VanDerWaalsContact O-CA 3.27Å; L293-A1196 WeakPolarHBondContact O-CA 3.29Å; L293-A1196 WeakPolarHBondContact O-CB 3.25Å | ||
| 294 | F | 29.5 | Very low | 30.3 | Very low | 174 Ų | 174 | 127.3 Ų | 127.3 | 76% | 0.763 | 72% | 0.718 | S | S | * | * | trans | 55.1 | 151.6 | 168.3 | -59.2 | -65.9 | 0 | 0 | 0 | 120.7 | ||||
| 295 | G | 27.9 | Very low | 30.3 | Very low | 79 Ų | 79 | 131.6 Ų | 131.6 | 81% | 0.814 | 73% | 0.728 | S | S | * | * | cis | 160.9 | 138.3 | -9.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 296 | G | 30.4 | Very low | 30.1 | Very low | 84 Ų | 84 | 132.6 Ų | 132.6 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | trans | 168.8 | 156.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 297 | S | 25.5 | Very low | 30.1 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 83% | 0.832 | 74% | 0.738 | S | S | * | * | trans | -158.9 | 145.4 | -172.8 | -179 | 0 | 0 | 0 | 0 | 114 | ||||
| 298 | C | 28.1 | Very low | 29.7 | Very low | 132 Ų | 132 | 131.1 Ų | 131.1 | 89% | 0.892 | 74% | 0.737 | S | S | * | * | trans | -163.6 | 171.6 | 153.6 | -105.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 299 | K | 24.5 | Very low | 29.3 | Very low | 191 Ų | 191 | 130.6 Ų | 130.6 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -110.4 | 159.3 | -173.8 | -57.1 | 167.5 | -179.3 | 169.5 | 0 | 111.6 | ||||
| 300 | D | 28.8 | Very low | 29.1 | Very low | 137 Ų | 137 | 133.1 Ų | 133.1 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | -172.1 | -157.2 | 116.2 | -106.3 | -39.2 | 0 | 0 | 0 | 113.6 | |||||
| 301 | K | 28.9 | Very low | 28.6 | Very low | 178 Ų | 178 | 136.8 Ų | 136.8 | 77% | 0.774 | 77% | 0.769 | S | S | * | * | trans | -116.3 | 135 | -139.5 | -64.8 | 159.4 | -169.9 | 167 | 0 | 117.2 | ||||
| 302 | V | 27.1 | Very low | 28.2 | Very low | 132 Ų | 132 | 135 Ų | 135 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | 27.6 | 139.3 | 110.9 | -174.6 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 303 | P | 35.7 | Very low | 28 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | cis | -139 | -159.4 | -26.9 | 42.5 | -22.3 | 0 | 0 | 0 | 112.9 | ||||
| 304 | E | 26.9 | Very low | 27.7 | Very low | 145 Ų | 145 | 147 Ų | 147 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | 171.5 | -166.4 | 114.2 | -167.2 | 138.4 | -178.9 | 0 | 0 | 112.5 | |||||
| 305 | R | 27.2 | Very low | 27.5 | Very low | 219 Ų | 219 | 145.5 Ų | 145.5 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | -89.4 | 166.2 | -143.2 | -79.6 | 162 | 169.2 | 131.6 | -9.8 | 117.1 | ||||
| 306 | A | 26.5 | Very low | 27.7 | Very low | 89 Ų | 89 | 145.5 Ų | 145.5 | 74% | 0.736 | 79% | 0.794 | S | S | * | * | trans | -64.5 | 175.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 307 | P | 32.4 | Very low | 27.6 | Very low | 134 Ų | 134 | 149.8 Ų | 149.8 | 87% | 0.87 | 79% | 0.789 | S | S | * | * | -145.6 | -157.5 | 103.8 | 42.9 | -28.3 | 0 | 0 | 0 | 115.6 | |||||
| 308 | M | 25 | Very low | 27.7 | Very low | 165 Ų | 165 | 150.2 Ų | 150.2 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | trans | -87.9 | 160.2 | -162.9 | -63.1 | 163.8 | 60.3 | 0 | 0 | 115.6 | ||||
| 309 | V | 25.2 | Very low | 27.7 | Very low | 127 Ų | 127 | 147.6 Ų | 147.6 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | 41.5 | 118.7 | 141 | 179.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 310 | T | 29.8 | Very low | 27.9 | Very low | 148 Ų | 148 | 148.7 Ų | 148.7 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -148.3 | 155.8 | 150.8 | -13.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 311 | R | 23.1 | Very low | 27.8 | Very low | 217 Ų | 217 | 145.1 Ų | 145.1 | 82% | 0.819 | 78% | 0.775 | S | S | * | * | trans | -140.7 | 146 | -173 | 167.7 | 175.9 | 178.9 | 169.4 | 3.6 | 110.6 | ||||
| 312 | N | 24.3 | Very low | 27.9 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 65% | 0.652 | 78% | 0.783 | S | S | * | * | trans | 68.6 | 125 | 179.5 | -61.9 | -6.4 | 0 | 0 | 0 | 115.1 | ||||
| 313 | E | 27.5 | Very low | 27.8 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | 177.7 | 157.5 | 129.5 | -96.9 | -179.6 | -171 | 0 | 0 | 107.8 | |||||
| 314 | Y | 27.2 | Very low | 27.4 | Very low | 200 Ų | 200 | 146.8 Ų | 146.8 | 78% | 0.784 | 78% | 0.783 | S | S | * | * | cis | -170.7 | 139.2 | -42.3 | -130.4 | -81.6 | 0 | 0 | 0 | 105.1 | ||||
| 315 | M | 26 | Very low | 27.3 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | trans | 28.3 | 115.3 | 160.2 | -72.7 | -105.4 | 66.6 | 0 | 0 | 122.2 | ||||
| 316 | G | 30.5 | Very low | 27.3 | Very low | 79 Ų | 79 | 141.1 Ų | 141.1 | 81% | 0.814 | 79% | 0.793 | S | S | * | * | trans | -130 | 29.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 317 | K | 30.2 | Very low | 27.3 | Very low | 173 Ų | 173 | 141.5 Ų | 141.5 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | trans | 38.1 | 86.3 | 158.7 | -62.5 | 168.6 | -174.8 | 168.4 | 0 | 120.1 | ||||
| 318 | T | 26.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 141.1 Ų | 141.1 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | 31.2 | 139.5 | 112.1 | 59.8 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 319 | A | 28.3 | Very low | 27.1 | Very low | 77 Ų | 77 | 137.2 Ų | 137.2 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | 145.8 | 132.5 | 107.3 | 0 | 0 | 0 | 0 | 0 | 118 | |||||
| 320 | K | 28.2 | Very low | 27.2 | Very low | 213 Ų | 213 | 136.5 Ų | 136.5 | 93% | 0.926 | 77% | 0.77 | S | S | * | * | trans | 65.9 | 149.7 | 148.4 | -61.9 | 161 | -173.5 | 174.3 | 0 | 118.8 | ||||
| 321 | G | 27.3 | Very low | 27.1 | Very low | 63 Ų | 63 | 135.5 Ų | 135.5 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | 169.9 | -170.9 | -4.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 322 | V | 29.7 | Very low | 27.4 | Very low | 156 Ų | 156 | 128.3 Ų | 128.3 | 95% | 0.945 | 76% | 0.762 | S | S | * | * | trans | 76.4 | 142.1 | 176.2 | -169 | 0 | 0 | 0 | 0 | 116 | ||||
| 323 | A | 26.4 | Very low | 27.5 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 76% | 0.763 | S | S | * | * | cis | -177.2 | 168.8 | -48.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 324 | R | 26.6 | Very low | 27.6 | Very low | 212 Ų | 212 | 125.2 Ų | 125.2 | 80% | 0.8 | 75% | 0.752 | S | S | * | * | trans | 62.4 | 113.4 | -177.1 | -68.8 | 177.7 | 167 | 136.5 | 1.1 | 113.3 | E443 | R324-E443 IonicContact CZ-OE2 2.91Å; R324-E443 IonicContact NH2-OE2 3.14Å; R324-E443 PolarHBondContact NH2-OE2 3.28Å | ||
| 325 | A | 25.2 | Very low | 27.5 | Very low | 94 Ų | 94 | 121.2 Ų | 121.2 | 78% | 0.777 | 75% | 0.753 | S | S | * | * | cis | 82.3 | 115.6 | 32.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 326 | T | 27.5 | Very low | 27.7 | Very low | 151 Ų | 151 | 119 Ų | 119 | 93% | 0.926 | 76% | 0.758 | S | S | * | * | -166.9 | 150.6 | 127.5 | 27.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 327 | S | 26 | Very low | 27.7 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | trans | -86.5 | 165.2 | -174.9 | 55 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 328 | N | 27.7 | Very low | 27.5 | Very low | 126 Ų | 126 | 119.8 Ų | 119.8 | 67% | 0.674 | 75% | 0.752 | S | S | * | * | trans | 145.6 | 148.7 | 134.6 | -72.8 | -6.1 | 0 | 0 | 0 | 110.5 | ||||
| 329 | S | 26 | Very low | 27.5 | Very low | 83 Ų | 83 | 120.7 Ų | 120.7 | 58% | 0.58 | 75% | 0.747 | S | S | * | * | cis | 174.6 | 119.8 | -26 | -93.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 330 | S | 28.1 | Very low | 27.4 | Very low | 111 Ų | 111 | 124.9 Ų | 124.9 | 78% | 0.776 | 76% | 0.758 | S | S | * | * | trans | 25.7 | 126 | 155.5 | 59.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 331 | S | 27.6 | Very low | 27.3 | Very low | 127 Ų | 127 | 120 Ų | 120 | 89% | 0.888 | 75% | 0.75 | S | S | * | * | 165.3 | 168.9 | 106.1 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 332 | G | 27.9 | Very low | 27.3 | Very low | 66 Ų | 66 | 124.1 Ų | 124.1 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | trans | 111.4 | 83.1 | 148 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 333 | F | 27.6 | Very low | 27.1 | Very low | 153 Ų | 153 | 121.7 Ų | 121.7 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | trans | 52.9 | 107 | 132 | -85.5 | -105.8 | 0 | 0 | 0 | 123.6 | H1673 | F333-H1673 AromaticContact CE1-CE1 3.48Å; F333-H1673 VanDerWaalsContact CE1-CE1 3.48Å; F333-H1673 WeakPolarHBondContact CE1-CE1 3.3Å; F333-H1673 AromaticContact CE1-NE2 3.42Å; F333-H1673 WeakPolarHBondContact CE1-NE2 3.43Å; F333-H1673 AromaticContact CZ-CE1 3.92Å; F333-H1673 AromaticContact CZ-NE2 3.71Å | ||
| 334 | S | 28.2 | Very low | 27 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | 64.2 | 115.1 | 116.1 | -58.6 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 335 | S | 26.8 | Very low | 26.9 | Very low | 116 Ų | 116 | 117.8 Ų | 117.8 | 81% | 0.811 | 74% | 0.742 | S | S | * | * | trans | 76.8 | 102.3 | 139.9 | -59.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 336 | A | 28.8 | Very low | 27 | Very low | 98 Ų | 98 | 118.5 Ų | 118.5 | 81% | 0.81 | 74% | 0.741 | S | S | * | * | trans | -154.9 | 165.8 | 141.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 337 | K | 30 | Very low | 26.8 | Very low | 168 Ų | 168 | 118 Ų | 118 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | -92.9 | 153.5 | 172.9 | -67 | 179.7 | 172.1 | -171.2 | 0 | 111.3 | ||||
| 338 | S | 27.1 | Very low | 26.8 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | -161 | 177.3 | 119.4 | -148.3 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 339 | E | 26.6 | Very low | 26.7 | Very low | 149 Ų | 149 | 118.9 Ų | 118.9 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | trans | -109.8 | 174.6 | -165 | -65.3 | 163.3 | 159.7 | 0 | 0 | 113.3 | ||||
| 340 | L | 26.3 | Very low | 26.7 | Very low | 165 Ų | 165 | 120.3 Ų | 120.3 | 86% | 0.864 | 76% | 0.756 | S | S | * | * | trans | 77.8 | 145.5 | 175.9 | -54.9 | 167.5 | 0 | 0 | 0 | 117.6 | ||||
| 341 | S | 25.2 | Very low | 26.5 | Very low | 110 Ų | 110 | 124 Ų | 124 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | 65.7 | 150.4 | 168.7 | 74.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 342 | D | 28.8 | Very low | 26.6 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 80% | 0.802 | 75% | 0.751 | S | S | * | * | cis | -153.6 | 176.5 | -13.7 | -122.8 | -32.3 | 0 | 0 | 0 | 112.8 | ||||
| 343 | V | 25 | Very low | 26.5 | Very low | 104 Ų | 104 | 126 Ų | 126 | 63% | 0.63 | 76% | 0.758 | S | S | * | * | trans | -59.9 | 122.8 | 174.8 | -179.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 344 | C | 24.6 | Very low | 26.4 | Very low | 119 Ų | 119 | 121.5 Ų | 121.5 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -168.1 | 144.6 | 141.9 | -93.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 345 | S | 24.4 | Very low | 26.4 | Very low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | 95.5 | 115.1 | 20.9 | -59.6 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 346 | S | 26.8 | Very low | 26.5 | Very low | 109 Ų | 109 | 125.7 Ų | 125.7 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 63.9 | 144.6 | 155.6 | -156.1 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 347 | V | 24.3 | Very low | 26.8 | Very low | 140 Ų | 140 | 125.8 Ų | 125.8 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | -160.1 | 99.8 | 107.1 | 175.3 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 348 | E | 24.5 | Very low | 26.7 | Very low | 170 Ų | 170 | 127.4 Ų | 127.4 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | trans | 178.4 | 110 | 160.8 | -107 | 165.6 | -151.6 | 0 | 0 | 106.1 | ||||
| 349 | G | 25.5 | Very low | 26.9 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 76% | 0.764 | S | S | * | * | cis | -167.3 | 177.8 | -10.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 350 | S | 26.8 | Very low | 27.1 | Very low | 114 Ų | 114 | 128 Ų | 128 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | trans | 76.3 | 93.1 | 171.9 | -155 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 351 | F | 24.8 | Very low | 27.5 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | -2 | 169.3 | 126.7 | -62.7 | -71.5 | 0 | 0 | 0 | 122.2 | |||||
| 352 | P | 29.6 | Very low | 27.6 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | cis | -140.8 | -175.5 | -19.3 | 33 | -11.2 | 0 | 0 | 0 | 116.7 | ||||
| 353 | C | 24.4 | Very low | 27.7 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | 74.2 | 145 | 152.6 | -158.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 354 | G | 26.5 | Very low | 27.9 | Very low | 58 Ų | 58 | 125.3 Ų | 125.3 | 60% | 0.598 | 75% | 0.753 | S | S | * | * | cis | 167.2 | 164.3 | -14.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 355 | Q | 27.9 | Very low | 28.2 | Very low | 172 Ų | 172 | 123.4 Ų | 123.4 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | 67.9 | 122.7 | 168.4 | -54.5 | -176.4 | 66.1 | 0 | 0 | 116.7 | ||||
| 356 | T | 28.5 | Very low | 28.5 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | cis | 80.3 | 149.5 | 45 | 65.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 357 | P | 35.2 | Very low | 28.7 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | cis | -149.9 | -179.5 | -32.6 | 41.8 | -23 | 0 | 0 | 0 | 117.2 | ||||
| 358 | K | 27.8 | Very low | 29.1 | Very low | 202 Ų | 202 | 120.7 Ų | 120.7 | 88% | 0.878 | 73% | 0.733 | S | S | * | * | trans | 53.8 | 117.3 | 142.9 | -72.1 | 161.7 | -178.3 | 175.9 | 0 | 123.2 | ||||
| 359 | S | 32 | Very low | 29.3 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | -158.7 | 133.6 | 127.4 | 48.3 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 360 | R | 29.8 | Very low | 29.4 | Very low | 145 Ų | 145 | 120.2 Ų | 120.2 | 55% | 0.547 | 73% | 0.725 | S | S | . | * | 72.3 | 117.3 | 51.2 | -151.1 | -168.5 | -166.3 | -139.3 | 0.8 | 109.8 | R1209 A1210 | R360-R1209 PolarHBondContact NH2-O 3.29Å; R360-A1210 PolarHBondContact NH2-O 3.44Å | |||
| 361 | L | 34.3 | Very low | 29.5 | Very low | 138 Ų | 138 | 122.2 Ų | 122.2 | 72% | 0.723 | 73% | 0.725 | S | S | * | * | -154.9 | 168.4 | 61.6 | -76.5 | 155 | 0 | 0 | 0 | 109.8 | |||||
| 362 | K | 28.1 | Very low | 29.7 | Very low | 166 Ų | 166 | 117 Ų | 117 | 72% | 0.722 | 71% | 0.713 | S | S | * | * | cis | 130.3 | 116.5 | -5 | -178 | -166.7 | 174.8 | -169.8 | 0 | 109.5 | ||||
| 363 | G | 30.6 | Very low | 29.7 | Very low | 67 Ų | 67 | 117.1 Ų | 117.1 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | trans | 165.9 | 102.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 364 | A | 29.8 | Very low | 29.9 | Very low | 102 Ų | 102 | 120.2 Ų | 120.2 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | 71.3 | 142.5 | 57.2 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 365 | A | 30.9 | Very low | 30.1 | Very low | 79 Ų | 79 | 121.9 Ų | 121.9 | 65% | 0.653 | 71% | 0.713 | S | S | * | * | cis | -135.9 | 160.2 | 9.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 366 | S | 31 | Very low | 30.2 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | 60.2 | 148.4 | 104.6 | 83.4 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 367 | S | 31.1 | Very low | 30.5 | Very low | 94 Ų | 94 | 115 Ų | 115 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | cis | -148.2 | 150 | 21.7 | 71.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 368 | S | 31.1 | Very low | 30.3 | Very low | 80 Ų | 80 | 116.4 Ų | 116.4 | 56% | 0.559 | 72% | 0.717 | S | S | * | * | 61.9 | 112.6 | 104.6 | 86 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 369 | D | 29.2 | Very low | 30.5 | Very low | 152 Ų | 152 | 110.3 Ų | 110.3 | 81% | 0.813 | 71% | 0.712 | S | S | * | * | 107 | 152.1 | 83.7 | -87.7 | -2.9 | 0 | 0 | 0 | 109.3 | |||||
| 370 | S | 28.4 | Very low | 30.5 | Very low | 79 Ų | 79 | 108.4 Ų | 108.4 | 55% | 0.552 | 71% | 0.71 | S | S | * | * | cis | -173.1 | -172.1 | -13.3 | 51.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 371 | I | 29 | Very low | 30.7 | Very low | 156 Ų | 156 | 109 Ų | 109 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | 67.7 | 138.1 | 139.3 | -81 | 169.2 | 0 | 0 | 0 | 118.3 | ||||
| 372 | S | 27.9 | Very low | 30.5 | Very low | 80 Ų | 80 | 110.4 Ų | 110.4 | 56% | 0.559 | 73% | 0.725 | S | S | * | * | cis | -174.7 | 158.7 | -13.6 | -164.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 373 | T | 29.3 | Very low | 30.5 | Very low | 114 Ų | 114 | 110 Ų | 110 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | trans | 57.8 | 140.4 | 149 | 49.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 374 | K | 30 | Very low | 30.5 | Very low | 188 Ų | 188 | 110.7 Ų | 110.7 | 82% | 0.817 | 73% | 0.727 | S | S | * | * | -156.2 | 129.6 | 65.4 | -90.2 | 175.4 | -176.8 | 171.8 | 0 | 109.8 | |||||
| 375 | S | 30.9 | Very low | 30.4 | Very low | 92 Ų | 92 | 116 Ų | 116 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | 81.9 | 140.8 | 72 | 89 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 376 | A | 30.5 | Very low | 30.6 | Very low | 80 Ų | 80 | 115.8 Ų | 115.8 | 66% | 0.661 | 74% | 0.736 | S | S | * | * | cis | -163.4 | 180 | -0.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | A1429 | A376-A1429 VanDerWaalsContact O-CB 3.23Å; A376-A1429 WeakPolarHBondContact O-CB 3.18Å | ||
| 377 | G | 32.9 | Very low | 30.7 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | 135 | 92.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 378 | S | 31.2 | Very low | 30.8 | Very low | 130 Ų | 130 | 123.4 Ų | 123.4 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | 88.1 | 134 | 69.2 | -173.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 379 | G | 31.9 | Very low | 30.6 | Very low | 74 Ų | 74 | 129.8 Ų | 129.8 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | cis | -104.2 | 173.7 | -11.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 380 | G | 32.1 | Very low | 30.8 | Very low | 75 Ų | 75 | 126 Ų | 126 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | 101.3 | 139.8 | 59.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 381 | I | 34.4 | Very low | 30.9 | Very low | 157 Ų | 157 | 128.2 Ų | 128.2 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | cis | -146 | 127.6 | 10.8 | -79.3 | 173.4 | 0 | 0 | 0 | 104.8 | ||||
| 382 | Q | 29.3 | Very low | 30.9 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | 50.2 | 147.7 | 99.9 | -67.9 | -168.8 | 25.7 | 0 | 0 | 115.6 | |||||
| 383 | M | 28.7 | Very low | 31.1 | Very low | 158 Ų | 158 | 130.8 Ų | 130.8 | 78% | 0.778 | 79% | 0.786 | S | S | * | * | cis | -167.9 | 175.9 | 3.2 | -114 | -88.7 | -117.4 | 0 | 0 | 111.4 | ||||
| 384 | A | 31.2 | Very low | 31.2 | Very low | 82 Ų | 82 | 128.5 Ų | 128.5 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | 62.6 | 139.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 385 | K | 27.5 | Very low | 31.3 | Very low | 214 Ų | 214 | 131.5 Ų | 131.5 | 93% | 0.93 | 79% | 0.792 | S | S | * | * | cis | 84.9 | 123.3 | 36.1 | -73.3 | -174.7 | 174.8 | 176.7 | 0 | 115.1 | ||||
| 386 | G | 35.7 | Very low | 31.2 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | trans | 141.7 | 108.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 387 | T | 32.3 | Very low | 31.5 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 79% | 0.791 | 81% | 0.808 | S | S | * | * | cis | 94.2 | 91.9 | 16.8 | -45.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 388 | R | 33.2 | Very low | 31.4 | Very low | 240 Ų | 240 | 142.5 Ų | 142.5 | 91% | 0.906 | 81% | 0.81 | S | S | * | * | trans | 171.6 | 136.9 | 144.2 | -91.3 | 152.3 | -172.3 | -136.8 | 1.5 | 107.4 | ||||
| 389 | K | 28.1 | Very low | 31 | Very low | 214 Ų | 214 | 145.5 Ų | 145.5 | 93% | 0.93 | 81% | 0.809 | S | S | * | * | cis | 82.5 | 113.5 | 46.4 | -92.6 | -162.4 | 175.9 | -173.9 | 0 | 114.6 | ||||
| 390 | G | 32.4 | Very low | 30.9 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 81% | 0.808 | S | S | * | * | trans | 142.7 | 153.7 | 164.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 391 | V | 30 | Very low | 30.6 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | cis | -163.1 | 139.1 | -12.2 | 119.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 392 | F | 30 | Very low | 30.1 | Very low | 191 Ų | 191 | 147.6 Ų | 147.6 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | trans | 56.1 | 128.8 | 156.8 | -74 | -115.8 | 0 | 0 | 0 | 120.2 | ||||
| 393 | A | 32.2 | Very low | 30 | Very low | 98 Ų | 98 | 145 Ų | 145 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | 88 | 153 | 77.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 394 | G | 30.5 | Very low | 29.9 | Very low | 67 Ų | 67 | 142.6 Ų | 142.6 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | cis | 177.3 | 171.6 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 395 | R | 32.4 | Very low | 29.8 | Very low | 251 Ų | 251 | 146.4 Ų | 146.4 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | trans | 69.8 | 142.9 | -175 | -48.4 | 177.5 | -171.2 | -105.9 | 1 | 113.7 | ||||
| 396 | R | 29.1 | Very low | 29.7 | Very low | 244 Ų | 244 | 142 Ų | 142 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | cis | 84.3 | 145.2 | 25.3 | -82.6 | -160.9 | 174.4 | 171.9 | -1 | 116.6 | ||||
| 397 | P | 35.6 | Very low | 29.3 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | trans | -112.3 | -180 | -145.2 | 43.6 | -36.5 | 0 | 0 | 0 | 115 | ||||
| 398 | P | 31.8 | Very low | 29.2 | Very low | 117 Ų | 117 | 144.6 Ų | 144.6 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -115.1 | 137.6 | 161.2 | 36.4 | -24.3 | 0 | 0 | 0 | 114.2 | ||||
| 399 | E | 22.8 | Very low | 29 | Very low | 193 Ų | 193 | 139.6 Ų | 139.6 | 90% | 0.902 | 77% | 0.773 | S | S | * | * | trans | -104.4 | 125.6 | 148.7 | -69 | 169.9 | 101.6 | 0 | 0 | 107.7 | ||||
| 400 | V | 29.9 | Very low | 29.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 75% | 0.745 | 77% | 0.765 | S | S | * | * | trans | -158.9 | 119.7 | 160.4 | -148.9 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 401 | V | 24.6 | Very low | 29.1 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | cis | 73.1 | 135.1 | 49.6 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 402 | S | 25 | Very low | 29.4 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | trans | 62.2 | 148.4 | 173.4 | 47.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 403 | S | 27.4 | Very low | 29.3 | Very low | 113 Ų | 113 | 140.3 Ų | 140.3 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | cis | -157.8 | 179 | -8.1 | -105 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 404 | S | 25.7 | Very low | 29 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -72 | -172.9 | -179.2 | 50.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 405 | K | 28.6 | Very low | 29.1 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | trans | 86.8 | 142.9 | -178.8 | -69.4 | -172.5 | 167.3 | -79.5 | 0 | 115.5 | ||||
| 406 | E | 26.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 57% | 0.57 | 75% | 0.751 | S | S | * | * | cis | -171.5 | 169.8 | -16.4 | -120 | 163 | -170.3 | 0 | 0 | 108.8 | ||||
| 407 | E | 26.1 | Very low | 29.2 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 47.9 | 144.1 | 144.6 | -66.9 | -178.1 | 139.2 | 0 | 0 | 123.4 | ||||
| 408 | A | 30.9 | Very low | 28.7 | Very low | 90 Ų | 90 | 131.1 Ų | 131.1 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | 69.9 | 144.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 409 | E | 29.3 | Very low | 28.7 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 63% | 0.631 | 75% | 0.751 | S | S | * | * | cis | -162 | 171.4 | -7.5 | -126 | -169.3 | 117.8 | 0 | 0 | 110.4 | ||||
| 410 | R | 32.6 | Very low | 28.9 | Very low | 202 Ų | 202 | 127.2 Ų | 127.2 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 65.3 | 100.1 | 150.7 | -70.5 | 167.5 | -157.6 | 167.5 | 17.4 | 120 | ||||
| 411 | N | 30.4 | Very low | 29 | Very low | 147 Ų | 147 | 127.4 Ų | 127.4 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | -42.1 | 159.2 | 126.5 | -110.1 | -28.3 | 0 | 0 | 0 | 111.9 | |||||
| 412 | P | 36.3 | Very low | 29 | Very low | 102 Ų | 102 | 126.6 Ų | 126.6 | 66% | 0.662 | 75% | 0.75 | S | S | * | * | cis | -152.4 | 168.2 | 49.7 | 43.1 | -22.7 | 0 | 0 | 0 | 119.1 | ||||
| 413 | E | 26.8 | Very low | 29.2 | Very low | 167 Ų | 167 | 126.7 Ų | 126.7 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | 32.1 | 164.8 | 129.5 | -52.4 | 179 | 106 | 0 | 0 | 124.4 | |||||
| 414 | C | 27 | Very low | 29.2 | Very low | 126 Ų | 126 | 125.4 Ų | 125.4 | 85% | 0.851 | 74% | 0.742 | S | S | * | * | trans | 70.7 | 147.1 | 166.2 | -71.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 415 | S | 32.6 | Very low | 29.5 | Very low | 110 Ų | 110 | 131 Ų | 131 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | cis | -160 | 159.6 | -5.9 | 43.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 416 | G | 27.1 | Very low | 29.5 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | trans | -88.2 | -154.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 417 | P | 35.9 | Very low | 29.7 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 76% | 0.76 | 76% | 0.761 | S | S | * | * | cis | -127.7 | -141.2 | -19.9 | 26.9 | -2 | 0 | 0 | 0 | 109.6 | ||||
| 418 | L | 25.5 | Very low | 29.8 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 76% | 0.759 | S | S | * | * | trans | 64.7 | 122.9 | 168.9 | -83 | 68.8 | 0 | 0 | 0 | 118.1 | ||||
| 419 | A | 32.2 | Very low | 30.1 | Very low | 97 Ų | 97 | 130.3 Ų | 130.3 | 80% | 0.802 | 76% | 0.757 | S | S | * | * | 170.4 | 129 | 99.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 420 | T | 27 | Very low | 30.2 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -83.5 | 160.4 | 157.2 | 50 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 421 | P | 32.4 | Very low | 30 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | -130.2 | 138.9 | 113.6 | 35.6 | -30.1 | 0 | 0 | 0 | 112.6 | |||||
| 422 | S | 23.9 | Very low | 30 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -88.9 | -175.6 | 162.7 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 423 | S | 28.2 | Very low | 29.6 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | 100.2 | 130.6 | 157.2 | -157.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 424 | S | 28.2 | Very low | 29.7 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 60% | 0.601 | 76% | 0.759 | S | S | * | * | trans | 92.3 | 115.5 | 139.6 | -78.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 425 | R | 31.5 | Very low | 29.8 | Very low | 227 Ų | 227 | 129.2 Ų | 129.2 | 86% | 0.857 | 75% | 0.748 | S | S | * | * | trans | 78.7 | 148.1 | 139.2 | -62.7 | 169.2 | -164.8 | -155.9 | 3.6 | 117.5 | ||||
| 426 | K | 28.2 | Very low | 29.6 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 78% | 0.778 | 75% | 0.747 | S | S | * | * | cis | -170.9 | 161.8 | -34.3 | -126.1 | -179 | -173.6 | -174.8 | 0 | 107.3 | ||||
| 427 | N | 32 | Very low | 29.5 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 75% | 0.748 | S | S | * | * | trans | 70.7 | 129.6 | 161.9 | -54 | -5.8 | 0 | 0 | 0 | 118 | ||||
| 428 | A | 28.9 | Very low | 29.4 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 75% | 0.754 | S | S | * | * | trans | -89.8 | -161.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 429 | P | 37.3 | Very low | 29.5 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | cis | -143 | -174.5 | 0.8 | 35 | -11.1 | 0 | 0 | 0 | 116.9 | ||||
| 430 | T | 29.8 | Very low | 29.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 75 | 129 | 144.3 | 35.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 431 | L | 28.8 | Very low | 29.5 | Very low | 142 Ų | 142 | 138.6 Ų | 138.6 | 74% | 0.743 | 76% | 0.755 | S | S | * | * | 95.1 | 133.1 | 128.7 | -83.6 | 177.2 | 0 | 0 | 0 | 121.5 | |||||
| 432 | Q | 29.5 | Very low | 29.2 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 75% | 0.752 | S | S | * | * | trans | 66.3 | 153 | 157.4 | -65.2 | -176 | 55.2 | 0 | 0 | 117.2 | ||||
| 433 | K | 28.8 | Very low | 29.3 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | cis | -173.8 | 166.6 | -26.3 | -179.8 | 174.3 | 172.6 | -173.7 | 0 | 105.3 | ||||
| 434 | L | 29.1 | Very low | 29.3 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | 91.4 | 129.2 | 151.8 | -137.8 | 71.8 | 0 | 0 | 0 | 117.7 | ||||
| 435 | E | 29.5 | Very low | 29.5 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 60% | 0.603 | 76% | 0.76 | S | S | * | * | trans | 64.4 | 111.9 | 148.1 | -82.4 | -178.5 | 123.1 | 0 | 0 | 124.7 | ||||
| 436 | R | 28.6 | Very low | 29.5 | Very low | 202 Ų | 202 | 136.4 Ų | 136.4 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 57 | 105 | 117.5 | -76.5 | -180 | 170.2 | 145.9 | -11.3 | 119.2 | |||||
| 437 | S | 24.9 | Very low | 30.1 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | 51.2 | 112.6 | 128 | 62.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 438 | H | 32.8 | Very low | 30 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | -160.2 | 147 | 123.4 | -98 | -72.7 | 0 | 0 | 0 | 109.6 | |||||
| 439 | L | 27.8 | Very low | 30.3 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 86% | 0.859 | 76% | 0.763 | S | S | * | * | trans | -82 | 148 | 162.8 | -68.9 | 171.5 | 0 | 0 | 0 | 108.7 | ||||
| 440 | P | 32.3 | Very low | 30 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -138.9 | -169.2 | 111.5 | 38.3 | -26.2 | 0 | 0 | 0 | 113.3 | |||||
| 441 | A | 26 | Very low | 29.9 | Very low | 93 Ų | 93 | 138.4 Ų | 138.4 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -112.8 | -168.1 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 442 | A | 27.8 | Very low | 30 | Very low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | 75.8 | 156.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 443 | E | 25.5 | Very low | 29.9 | Very low | 142 Ų | 142 | 138 Ų | 138 | 66% | 0.664 | 77% | 0.768 | S | S | * | * | cis | -162.3 | 153.9 | -31.7 | -174.7 | 149.4 | 128.8 | 0 | 0 | 109.7 | R324 | R324-E443 IonicContact CZ-OE2 2.91Å; R324-E443 IonicContact NH2-OE2 3.14Å; R324-E443 PolarHBondContact NH2-OE2 3.28Å | ||
| 444 | A | 27.3 | Very low | 29.9 | Very low | 90 Ų | 90 | 136.3 Ų | 136.3 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | 35.5 | 132 | 159.4 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 445 | A | 32.9 | Very low | 29.9 | Very low | 102 Ų | 102 | 134.6 Ų | 134.6 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -144.8 | 132.1 | 143 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 446 | H | 31.7 | Very low | 29.9 | Very low | 179 Ų | 179 | 131.7 Ų | 131.7 | 83% | 0.829 | 78% | 0.775 | S | S | * | * | trans | -140.5 | 143.1 | 175.9 | -90.4 | -60.6 | 0 | 0 | 0 | 109.9 | ||||
| 447 | P | 41.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -105.5 | 126.5 | 144.8 | 33.1 | -25.2 | 0 | 0 | 0 | 109.1 | ||||
| 448 | A | 30.2 | Very low | 30.4 | Very low | 88 Ų | 88 | 134 Ų | 134 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | 84.5 | 102.5 | 20 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 449 | K | 34.5 | Very low | 30.3 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | trans | -163.7 | 118.7 | 150.3 | -106.3 | 163.8 | -171.6 | 178.2 | 0 | 111.1 | ||||
| 450 | K | 31.1 | Very low | 30.5 | Very low | 203 Ų | 203 | 131.6 Ų | 131.6 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | 44.4 | 144 | 141.1 | -60.7 | -175 | -180 | -173.8 | 0 | 121.2 | ||||
| 451 | A | 28.4 | Very low | 30.5 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 60% | 0.595 | 76% | 0.757 | S | S | * | * | cis | -166.3 | 166.8 | -12.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 452 | Q | 30.5 | Very low | 30.9 | Very low | 175 Ų | 175 | 131.9 Ų | 131.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 48.9 | 127.8 | 157.2 | -74.6 | 146.5 | -58 | 0 | 0 | 120.1 | ||||
| 453 | T | 27.3 | Very low | 31.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | 73.4 | 114.5 | 37.7 | -45.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 454 | V | 29 | Very low | 31.7 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | -163.8 | 152.1 | 83.1 | 158.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 455 | S | 28 | Very low | 31.9 | Very low | 96 Ų | 96 | 133 Ų | 133 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | cis | 114.8 | 77 | -0.2 | -160.4 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 456 | G | 31.1 | Very low | 31.7 | Very low | 67 Ų | 67 | 135.1 Ų | 135.1 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | -153.8 | 109.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 457 | K | 33.4 | Very low | 31.6 | Very low | 192 Ų | 192 | 137 Ų | 137 | 84% | 0.835 | 74% | 0.741 | S | S | * | * | 68.6 | 124.2 | 81.1 | -62.6 | 166.1 | -175 | 171.1 | 0 | 111.8 | |||||
| 458 | I | 29.7 | Very low | 31.3 | Very low | 158 Ų | 158 | 136.4 Ų | 136.4 | 81% | 0.81 | 74% | 0.737 | S | S | * | * | -174.5 | 158.9 | 73.4 | -82.7 | -178.4 | 0 | 0 | 0 | 108.1 | |||||
| 459 | K | 31.7 | Very low | 31.3 | Very low | 142 Ų | 142 | 139.6 Ų | 139.6 | 62% | 0.617 | 74% | 0.741 | S | S | * | * | cis | -177.5 | 167.6 | -28.8 | -170.2 | 174.6 | 167.4 | -166.3 | 0 | 109.3 | ||||
| 460 | Y | 30.4 | Very low | 31 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 64% | 0.635 | 74% | 0.735 | S | S | * | * | trans | 95.3 | 99 | 160.6 | -63.5 | -77.1 | 0 | 0 | 0 | 117.7 | ||||
| 461 | Q | 32.9 | Very low | 31 | Very low | 161 Ų | 161 | 132.6 Ų | 132.6 | 75% | 0.752 | 73% | 0.732 | S | S | * | * | 84.3 | 136 | 54.2 | -173.3 | 177.7 | 51.2 | 0 | 0 | 112.4 | |||||
| 462 | G | 34.8 | Very low | 31.1 | Very low | 66 Ų | 66 | 132.5 Ų | 132.5 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | cis | -131.1 | -151 | -3.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 463 | N | 34 | Very low | 31 | Very low | 135 Ų | 135 | 134.8 Ų | 134.8 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | cis | -171.1 | 177.8 | -16 | -100.6 | 25.5 | 0 | 0 | 0 | 105.5 | ||||
| 464 | N | 36.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 69% | 0.69 | 74% | 0.737 | S | S | * | * | cis | -157.4 | 174.6 | 10.3 | -139.7 | 32.7 | 0 | 0 | 0 | 112.1 | ||||
| 465 | S | 30.9 | Very low | 31.4 | Very low | 85 Ų | 85 | 138.4 Ų | 138.4 | 59% | 0.594 | 74% | 0.738 | S | S | * | * | trans | 10.3 | 153.1 | 143.3 | -61.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 466 | L | 29.2 | Very low | 31.8 | Very low | 145 Ų | 145 | 139.9 Ų | 139.9 | 76% | 0.759 | 75% | 0.745 | S | S | * | * | cis | -176.7 | 167.5 | -3.2 | -96 | 167.3 | 0 | 0 | 0 | 105.9 | ||||
| 467 | R | 28.6 | Very low | 31.8 | Very low | 219 Ų | 219 | 141 Ų | 141 | 83% | 0.826 | 75% | 0.748 | S | S | * | * | cis | -160.9 | 165.4 | -10.4 | -138.4 | 179.6 | -171.4 | -150.3 | 2 | 107.9 | ||||
| 468 | P | 35.1 | Very low | 31.5 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 75% | 0.749 | S | S | * | * | trans | -112 | 173.9 | 177.6 | 40.3 | -29.4 | 0 | 0 | 0 | 114.8 | ||||
| 469 | L | 30.3 | Very low | 31.6 | Very low | 156 Ų | 156 | 138 Ų | 138 | 82% | 0.817 | 75% | 0.752 | S | S | * | * | trans | 162.3 | 130.7 | 159.7 | -88.1 | 151.5 | 0 | 0 | 0 | 105.6 | ||||
| 470 | D | 28 | Very low | 31.3 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 75% | 0.749 | 76% | 0.763 | S | S | * | * | cis | 71.7 | 112.2 | 38.8 | -166.7 | 24.6 | 0 | 0 | 0 | 115.8 | ||||
| 471 | S | 32.2 | Very low | 31.3 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 169.4 | 104.1 | 152.9 | -80.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 472 | G | 29 | Very low | 31.1 | Very low | 70 Ų | 70 | 134.7 Ų | 134.7 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | 76.1 | 132.3 | 122.4 | 0 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 473 | R | 29.5 | Very low | 30.8 | Very low | 222 Ų | 222 | 139.2 Ų | 139.2 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | 97.3 | 143.6 | 128.7 | -75.4 | -176.7 | 173.2 | -132 | 7.4 | 123.4 | |||||
| 474 | H | 34.3 | Very low | 30.6 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | 81.9 | 84.5 | 157.1 | -68 | -59.3 | 0 | 0 | 0 | 122.6 | ||||
| 475 | H | 30.5 | Very low | 30.3 | Very low | 178 Ų | 178 | 138.4 Ų | 138.4 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | -53.4 | 164.7 | 126.9 | -80.4 | -66 | 0 | 0 | 0 | 111.8 | |||||
| 476 | P | 36.2 | Very low | 30 | Very low | 126 Ų | 126 | 140.6 Ų | 140.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -127.7 | -151.6 | 33.4 | 33.9 | -9.5 | 0 | 0 | 0 | 112.5 | ||||
| 477 | A | 31.3 | Very low | 30 | Very low | 91 Ų | 91 | 138.9 Ų | 138.9 | 75% | 0.752 | 79% | 0.79 | S | S | * | * | cis | -155.9 | -177.1 | 9.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 478 | N | 27 | Very low | 29.8 | Very low | 162 Ų | 162 | 135.8 Ų | 135.8 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -105.6 | 155.5 | 169.1 | -72.6 | -38.2 | 0 | 0 | 0 | 111.4 | ||||
| 479 | S | 30.6 | Very low | 29.4 | Very low | 125 Ų | 125 | 136.4 Ų | 136.4 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -149 | 124 | 148.7 | 62.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 480 | V | 25.5 | Very low | 29.4 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -103.2 | 131.8 | -179.3 | 172.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 481 | A | 30.6 | Very low | 29.5 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -172.3 | 159.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 482 | H | 28.6 | Very low | 29.2 | Very low | 162 Ų | 162 | 138.6 Ų | 138.6 | 75% | 0.75 | 78% | 0.783 | S | S | * | * | cis | -171.2 | 151.8 | -43 | -144.4 | -55.3 | 0 | 0 | 0 | 106.1 | ||||
| 483 | I | 28.6 | Very low | 28.9 | Very low | 161 Ų | 161 | 146 Ų | 146 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 70.5 | 144 | 165.6 | -50.5 | 159.6 | 0 | 0 | 0 | 113.6 | ||||
| 484 | G | 30.2 | Very low | 29 | Very low | 59 Ų | 59 | 140.5 Ų | 140.5 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | cis | 166.1 | 168.2 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 485 | Q | 29.7 | Very low | 28.7 | Very low | 188 Ų | 188 | 139 Ų | 139 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 63.2 | 127 | 174.7 | -62.2 | 174.7 | -44.6 | 0 | 0 | 115.8 | ||||
| 486 | V | 25 | Very low | 28.7 | Very low | 131 Ų | 131 | 136.2 Ų | 136.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | cis | 81.7 | 91.5 | 28 | -170.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 487 | S | 29.4 | Very low | 28.3 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | -169.5 | 109.6 | 145.8 | 57.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 488 | E | 25.3 | Very low | 28.1 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | 100.8 | 133.5 | 51 | -84.1 | -152 | 125.4 | 0 | 0 | 113.8 | |||||
| 489 | N | 25.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | trans | 40.1 | 109.2 | 141 | -49.8 | -28.2 | 0 | 0 | 0 | 120.3 | ||||
| 490 | T | 30.9 | Very low | 28.1 | Very low | 140 Ų | 140 | 129 Ų | 129 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -173.2 | 151.8 | 135.7 | 22.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 491 | V | 28.9 | Very low | 28.2 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 79% | 0.788 | 79% | 0.79 | S | S | * | * | cis | -162.7 | 174.7 | -36.7 | 112.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 492 | Y | 25.6 | Very low | 28.7 | Very low | 188 Ų | 188 | 132.6 Ų | 132.6 | 74% | 0.737 | 79% | 0.788 | S | S | * | * | trans | -44.3 | 153.5 | 176.8 | -87.3 | -137.4 | 0 | 0 | 0 | 118.6 | ||||
| 493 | R | 24.5 | Very low | 28.6 | Very low | 224 Ų | 224 | 131.3 Ų | 131.3 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 67.4 | 166.5 | 144.4 | -79.6 | -179.4 | -175.3 | -171.1 | 3.9 | 118.7 | ||||
| 494 | P | 29.8 | Very low | 28.7 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -126.1 | -174.6 | -29.3 | 35 | -18.6 | 0 | 0 | 0 | 111.9 | ||||
| 495 | C | 28.9 | Very low | 28.5 | Very low | 126 Ų | 126 | 133 Ų | 133 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | -67.4 | 149.4 | 155.8 | -59 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 496 | P | 30.9 | Very low | 28.5 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -122.5 | 149.2 | 130.9 | 35.1 | -31.1 | 0 | 0 | 0 | 111.8 | ||||
| 497 | A | 26.7 | Very low | 28.7 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -74.4 | 143.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 498 | G | 28.5 | Very low | 28.9 | Very low | 81 Ų | 81 | 128.1 Ų | 128.1 | 84% | 0.835 | 77% | 0.773 | S | S | * | * | trans | -169.3 | 82.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 499 | G | 28.1 | Very low | 29.2 | Very low | 85 Ų | 85 | 125.3 Ų | 125.3 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | -79.4 | 149.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 500 | G | 29.3 | Very low | 29.3 | Very low | 77 Ų | 77 | 125.1 Ų | 125.1 | 79% | 0.794 | 78% | 0.779 | S | S | * | * | trans | 161.1 | 96.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 501 | K | 27.4 | Very low | 29.1 | Very low | 198 Ų | 198 | 129.2 Ų | 129.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | cis | -176.9 | 165.2 | -14.3 | -121.8 | -170.7 | 174.2 | -179.3 | 0 | 103.2 | ||||
| 502 | P | 40.3 | Very low | 29 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -83.6 | 146.1 | -171.7 | 33.8 | -34.2 | 0 | 0 | 0 | 112.7 | ||||
| 503 | T | 27.7 | Very low | 29.1 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -122.8 | 106.6 | 148.3 | 24.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 504 | H | 29.1 | Very low | 29.4 | Very low | 157 Ų | 157 | 122.7 Ų | 122.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | 86 | 102.7 | 90.6 | -100.5 | -99 | 0 | 0 | 0 | 111.9 | |||||
| 505 | S | 26.5 | Very low | 29.2 | Very low | 100 Ų | 100 | 123 Ų | 123 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | 67.7 | 155.7 | 116.9 | 77 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 506 | S | 29.4 | Very low | 29.2 | Very low | 75 Ų | 75 | 122.5 Ų | 122.5 | 52% | 0.524 | 76% | 0.758 | S | S | . | * | cis | -157.9 | 168 | 27.1 | 52.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 507 | Q | 29.3 | Very low | 29.3 | Very low | 185 Ų | 185 | 120.1 Ų | 120.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | 64.5 | 152.2 | 155.2 | -64.9 | 134.2 | -5.3 | 0 | 0 | 117.5 | ||||
| 508 | G | 34.3 | Very low | 29.3 | Very low | 65 Ų | 65 | 119.6 Ų | 119.6 | 67% | 0.67 | 73% | 0.728 | S | S | * | * | cis | -124.9 | 123 | -2.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 509 | A | 30.5 | Very low | 29.3 | Very low | 95 Ų | 95 | 121 Ų | 121 | 79% | 0.785 | 72% | 0.716 | S | S | * | * | trans | -79.3 | 114.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 510 | V | 29.4 | Very low | 29.1 | Very low | 121 Ų | 121 | 121.2 Ų | 121.2 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | trans | -131.7 | 101.2 | 167.9 | -173.7 | 0 | 0 | 0 | 0 | 104.9 | F512 | V510-F512 HydrophobicContact CG1-CD2 4.23Š| ||
| 511 | R | 26.2 | Very low | 29 | Very low | 225 Ų | 225 | 123.7 Ų | 123.7 | 85% | 0.849 | 71% | 0.709 | S | S | * | * | cis | 65.4 | 39.2 | 22 | -145.8 | -161.1 | -166.2 | -140.4 | 3.9 | 115.5 | ||||
| 512 | F | 26.4 | Very low | 28.9 | Very low | 201 Ų | 201 | 122.9 Ų | 122.9 | 88% | 0.882 | 71% | 0.706 | S | S | * | * | trans | -148.5 | 155 | 140.2 | -77 | -68.6 | 0 | 0 | 0 | 106.5 | V510 | V510-F512 HydrophobicContact CG1-CD2 4.23Š| ||
| 513 | G | 27.5 | Very low | 28.2 | Very low | 59 Ų | 59 | 121 Ų | 121 | 61% | 0.608 | 71% | 0.707 | S | S | * | * | cis | 166.5 | 136.4 | 0.5 | 0 | 0 | 0 | 0 | 0 | 107 | P515 | G513-P515 WeakPolarHBondContact O-CD 3.22Š| ||
| 514 | I | 31.5 | Very low | 28 | Very low | 146 Ų | 146 | 119.6 Ų | 119.6 | 75% | 0.749 | 70% | 0.698 | S | S | * | * | trans | -71.8 | 125.2 | -172.1 | -68.1 | 167.4 | 0 | 0 | 0 | 110.3 | K516 | I514-K516 HydrophobicContact CG2-CB 3.74Å; I514-K516 HydrophobicContact CG2-CD 4.05Å; I514-K516 HydrophobicContact CG2-CG 4.11Å | ||
| 515 | P | 26 | Very low | 27.9 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 74% | 0.74 | 70% | 0.703 | S | S | * | * | -131.5 | 152.2 | 118.2 | 36.4 | -28.9 | 0 | 0 | 0 | 112.4 | G513 | G513-P515 WeakPolarHBondContact O-CD 3.22Š| |||
| 516 | K | 28.4 | Very low | 27.9 | Very low | 116 Ų | 116 | 120.8 Ų | 120.8 | 50% | 0.504 | 71% | 0.707 | S | S | . | * | cis | 45.3 | 113.6 | 0.1 | -69 | -178.1 | 162.8 | -160.7 | 0 | 115.9 | I514 A643 P644 | I514-K516 HydrophobicContact CG2-CB 3.74Å; I514-K516 HydrophobicContact CG2-CD 4.05Å; I514-K516 HydrophobicContact CG2-CG 4.11Å; K516-A643 WeakPolarHBondContact CD-O 3.49Å; K516-A643 WeakPolarHBondContact CE-O 3.36Å; K516-A643 PolarHBondContact NZ-O 2.95Å; K516-P644 HydrophobicContact CD-CB 4.01Å | ||
| 517 | P | 32.9 | Very low | 27.7 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 45% | 0.448 | 72% | 0.715 | S | S | . | * | cis | -146.7 | -152.4 | 9.2 | 37.1 | -11.5 | 0 | 0 | 0 | 114.6 | A643 | P517-A643 HydrophobicContact CB-CB 4.14Å; P517-A643 VanDerWaalsContact CB-N 3.33Å | ||
| 518 | T | 26.4 | Very low | 27.6 | Very low | 97 Ų | 97 | 122 Ų | 122 | 60% | 0.595 | 71% | 0.713 | S | S | * | * | trans | 79.7 | 100.9 | 156.5 | -49.2 | 0 | 0 | 0 | 0 | 113.2 | S642 | T518-S642 PolarHBondContact N-OG 2.92Š| ||
| 519 | L | 27.7 | Very low | 27.2 | Very low | 109 Ų | 109 | 124.3 Ų | 124.3 | 57% | 0.571 | 71% | 0.714 | S | S | * | * | 63.2 | 131.8 | 76.3 | -76.8 | 169.4 | 0 | 0 | 0 | 113.9 | L641 | L519-L641 HydrophobicContact CD2-CD1 4.24Š| |||
| 520 | A | 25.4 | Very low | 27 | Very low | 91 Ų | 91 | 124.2 Ų | 124.2 | 75% | 0.752 | 70% | 0.704 | S | S | * | * | trans | 69.6 | 153.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 521 | V | 27.3 | Very low | 26.7 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 78% | 0.776 | 70% | 0.698 | S | S | * | * | cis | -164.5 | -175.9 | -14.8 | 114.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 522 | K | 24.1 | Very low | 26.7 | Very low | 182 Ų | 182 | 117.1 Ų | 117.1 | 79% | 0.791 | 69% | 0.685 | S | S | * | * | trans | 75.2 | 160.7 | 171.1 | -82.5 | 164.3 | 177.7 | 175.2 | 0 | 115.4 | T524 | K522-T524 HydrophobicContact CG-CG2 4.3Š| ||
| 523 | G | 26.2 | Very low | 26.7 | Very low | 73 Ų | 73 | 111.3 Ų | 111.3 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | trans | 77.5 | 31.6 | -154.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 524 | T | 23.6 | Very low | 26.6 | Very low | 103 Ų | 103 | 118.6 Ų | 118.6 | 63% | 0.632 | 68% | 0.684 | S | S | * | * | 28.7 | 110.5 | 82.7 | 54.5 | 0 | 0 | 0 | 0 | 113.4 | K522 K526 | K522-T524 HydrophobicContact CG-CG2 4.3Å; T524-K526 PolarHBondContact O-N 3.5Å | |||
| 525 | A | 26.7 | Very low | 26.4 | Very low | 100 Ų | 100 | 120.5 Ų | 120.5 | 83% | 0.826 | 69% | 0.689 | S | S | * | * | trans | -56.9 | 117.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 526 | K | 25.9 | Very low | 26.3 | Very low | 182 Ų | 182 | 120.7 Ų | 120.7 | 79% | 0.791 | 68% | 0.684 | S | S | * | * | trans | -151.8 | 137.7 | 154.7 | -65.7 | -168.9 | -179.2 | -174 | 0 | 107.1 | T524 | T524-K526 PolarHBondContact O-N 3.5Š| ||
| 527 | N | 25.9 | Very low | 26.1 | Very low | 129 Ų | 129 | 120 Ų | 120 | 69% | 0.69 | 69% | 0.694 | S | S | * | * | cis | -161 | 176.1 | -23.2 | -103.7 | -14.5 | 0 | 0 | 0 | 105.4 | ||||
| 528 | L | 27.7 | Very low | 25.8 | Very low | 158 Ų | 158 | 121 Ų | 121 | 83% | 0.827 | 71% | 0.709 | S | S | * | * | trans | 76.8 | 91.8 | -168.9 | -52.5 | 156.6 | 0 | 0 | 0 | 109.4 | ||||
| 529 | T | 25.1 | Very low | 25.7 | Very low | 112 Ų | 112 | 121.5 Ų | 121.5 | 69% | 0.687 | 72% | 0.716 | S | S | * | * | cis | 71.6 | 150 | 37.1 | -36.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 530 | T | 26.4 | Very low | 25.8 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 57% | 0.571 | 73% | 0.728 | S | S | * | * | trans | 67.3 | 120.9 | -171.8 | 18.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 531 | T | 23.8 | Very low | 25.8 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 62% | 0.62 | 72% | 0.724 | S | S | * | * | cis | 54.5 | 138.2 | 32.9 | 78.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 532 | V | 26.8 | Very low | 25.8 | Very low | 96 Ų | 96 | 124 Ų | 124 | 58% | 0.582 | 71% | 0.706 | S | S | * | * | cis | -148.4 | 130 | 41.7 | 167.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 533 | A | 26 | Very low | 26.1 | Very low | 79 Ų | 79 | 119.7 Ų | 119.7 | 65% | 0.653 | 69% | 0.688 | S | S | * | * | trans | 43.1 | 173.9 | 134.4 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 534 | R | 25.9 | Very low | 26.2 | Very low | 212 Ų | 212 | 119.2 Ų | 119.2 | 80% | 0.8 | 68% | 0.683 | S | S | * | * | 17.5 | 137 | 128.2 | -63.1 | 169.4 | 166.2 | 137.4 | -4.7 | 116 | |||||
| 535 | E | 25.4 | Very low | 26.3 | Very low | 186 Ų | 186 | 120.7 Ų | 120.7 | 87% | 0.869 | 68% | 0.683 | S | S | * | * | cis | -124.9 | 157.4 | 45.3 | -76.9 | 149.7 | 175.2 | 0 | 0 | 113.7 | ||||
| 536 | D | 25 | Very low | 26.3 | Very low | 119 Ų | 119 | 121.1 Ų | 121.1 | 64% | 0.636 | 67% | 0.668 | S | S | * | * | cis | 80.4 | 120.4 | 41.8 | -98.5 | -61.4 | 0 | 0 | 0 | 115.9 | ||||
| 537 | S | 24.4 | Very low | 26.4 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 70% | 0.699 | 66% | 0.662 | S | S | * | * | 45.5 | 81.1 | 129.8 | -54.3 | 0 | 0 | 0 | 0 | 121.2 | |||||
| 538 | A | 25.6 | Very low | 26.5 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 76% | 0.76 | 65% | 0.654 | S | S | * | * | trans | 75.4 | 154.1 | 131.4 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 539 | S | 25.7 | Very low | 26.8 | Very low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 65% | 0.654 | S | S | * | * | trans | 95.8 | 125.2 | 157.9 | -44.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 540 | K | 28.4 | Very low | 27 | Very low | 192 Ų | 192 | 119 Ų | 119 | 84% | 0.835 | 65% | 0.653 | S | S | * | * | trans | 66.5 | 161.2 | 154.1 | -65.5 | 176.4 | -179.1 | -178.1 | 0 | 117.1 | ||||
| 541 | Q | 25.9 | Very low | 27 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 65% | 0.654 | 66% | 0.662 | S | S | * | * | cis | -158.2 | -175.5 | -33.8 | -175.7 | 156.1 | -27.4 | 0 | 0 | 107 | ||||
| 542 | A | 27.7 | Very low | 27.1 | Very low | 49 Ų | 49 | 125.3 Ų | 125.3 | 41% | 0.405 | 66% | 0.662 | S | S | . | * | trans | -46.9 | 163.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G747 G748 | A542-G747 VanDerWaalsContact CB-O 3.3Å; A542-G747 WeakPolarHBondContact CB-O 3.27Å; A542-G747 CarbonylContact O-C 3.43Å; A542-G748 PolarHBondContact O-N 3.17Å | ||
| 543 | H | 29.1 | Very low | 27.2 | Very low | 92 Ų | 92 | 126.4 Ų | 126.4 | 43% | 0.426 | 67% | 0.669 | S | S | . | * | cis | -135.5 | 174.5 | 29.3 | -121.6 | -18.1 | 0 | 0 | 0 | 111.5 | D746 G747 | H543-D746 IonicContact CE1-OD1 2.89Å; H543-D746 PolarHBondContact CE1-OD1 3.41Å; H543-D746 IonicContact NE2-OD1 3.29Å; H543-G747 PolarHBondContact CD2-N 2.93Å; H543-G747 VanDerWaalsContact CD2-N 3.32Å; H543-G747 PolarHBondContact NE2-N 2.82Å; H543-G747 VanDerWaalsContact NE2-N 3.17Å | ||
| 544 | G | 29.8 | Very low | 27.2 | Very low | 62 Ų | 62 | 130 Ų | 130 | 64% | 0.639 | 67% | 0.672 | S | S | * | * | 83 | 135.7 | 52.9 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 545 | Q | 26 | Very low | 27.3 | Very low | 134 Ų | 134 | 126 Ų | 126 | 63% | 0.626 | 67% | 0.671 | S | S | * | * | cis | -140 | 159.9 | 16.7 | -106 | 173.2 | -72.7 | 0 | 0 | 109.9 | ||||
| 546 | E | 26.1 | Very low | 27.5 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 51% | 0.509 | 66% | 0.658 | S | S | . | * | 44.6 | 115.8 | 94.5 | -134 | -148.6 | 131.4 | 0 | 0 | 111.4 | N548 | E546-N548 PolarHBondContact OE1-ND2 2.85Š| |||
| 547 | K | 28.5 | Very low | 27.8 | Very low | 153 Ų | 153 | 123.8 Ų | 123.8 | 67% | 0.665 | 67% | 0.666 | S | S | * | * | -148.5 | 138.7 | 64.2 | -93.4 | 113.4 | -159.3 | 173.2 | 0 | 111.2 | |||||
| 548 | N | 27.2 | Very low | 27.9 | Very low | 100 Ų | 100 | 124.1 Ų | 124.1 | 54% | 0.535 | 67% | 0.668 | S | S | . | * | 53.8 | 91.1 | 82.2 | -65.1 | -38.1 | 0 | 0 | 0 | 112.4 | E546 | E546-N548 PolarHBondContact OE1-ND2 2.85Š| |||
| 549 | H | 34.9 | Very low | 28 | Very low | 178 Ų | 178 | 124.4 Ų | 124.4 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -178.5 | 93.3 | 144.5 | -92.9 | -59.9 | 0 | 0 | 0 | 105.9 | ||||
| 550 | T | 28.4 | Very low | 28.2 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 66% | 0.656 | 66% | 0.659 | S | S | * | * | cis | 62.6 | 139 | 31.3 | -33.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 551 | R | 26.4 | Very low | 28.2 | Very low | 204 Ų | 204 | 121.3 Ų | 121.3 | 77% | 0.77 | 66% | 0.656 | S | S | * | * | trans | 81.6 | 114.6 | 167.2 | -86.9 | -177.1 | 166.9 | 179.2 | -3.2 | 119 | ||||
| 552 | I | 26.1 | Very low | 28.4 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 63% | 0.626 | 65% | 0.652 | S | S | * | * | trans | 69.8 | 163.1 | 145.3 | -39.8 | 155 | 0 | 0 | 0 | 109.7 | Q554 | I552-Q554 HydrophobicContact CG2-CB 4Å; I552-Q554 VanDerWaalsContact CG2-OE1 3.3Å | ||
| 553 | V | 28 | Very low | 28.5 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | cis | -124 | 123.2 | 8.9 | -156.6 | 0 | 0 | 0 | 0 | 106.5 | V555 | V553-V555 HydrophobicContact CG1-CG2 4.49Š| ||
| 554 | Q | 26.2 | Very low | 28.6 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 72% | 0.724 | 68% | 0.684 | S | S | * | * | 62.7 | 151.9 | 62.6 | 179.3 | -169.1 | -22.3 | 0 | 0 | 111.3 | I552 | I552-Q554 HydrophobicContact CG2-CB 4Å; I552-Q554 VanDerWaalsContact CG2-OE1 3.3Å | |||
| 555 | V | 29.3 | Very low | 28.5 | Very low | 128 Ų | 128 | 124.4 Ų | 124.4 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | 74.7 | 124.3 | -174.5 | -166.9 | 0 | 0 | 0 | 0 | 111.6 | V553 | V553-V555 HydrophobicContact CG1-CG2 4.49Š| ||
| 556 | A | 29.5 | Very low | 28.9 | Very low | 71 Ų | 71 | 124.4 Ų | 124.4 | 59% | 0.587 | 70% | 0.702 | S | S | * | * | cis | -151 | 159.5 | 4.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 557 | K | 29.8 | Very low | 28.9 | Very low | 186 Ų | 186 | 127.3 Ų | 127.3 | 81% | 0.809 | 72% | 0.72 | S | S | * | * | trans | 62.3 | 106.2 | 145.6 | -67.8 | 169.7 | -175.7 | 179.6 | 0 | 116.1 | ||||
| 558 | S | 28 | Very low | 29.1 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | 65.9 | 136.6 | 73.9 | 79.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 559 | S | 28.1 | Very low | 29.1 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | cis | -156.6 | 170.3 | 25 | 65.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 560 | S | 28.5 | Very low | 29 | Very low | 87 Ų | 87 | 127.9 Ų | 127.9 | 61% | 0.608 | 73% | 0.733 | S | S | * | * | 4 | 141.5 | 126.6 | 77.2 | 0 | 0 | 0 | 0 | 117 | |||||
| 561 | N | 28.7 | Very low | 29 | Very low | 146 Ų | 146 | 127.4 Ų | 127.4 | 78% | 0.781 | 73% | 0.734 | S | S | * | * | cis | -142.4 | 170.4 | 17.5 | -91.1 | -38.8 | 0 | 0 | 0 | 109.9 | ||||
| 562 | A | 30.5 | Very low | 29.2 | Very low | 69 Ų | 69 | 124.2 Ų | 124.2 | 57% | 0.57 | 73% | 0.732 | S | S | * | * | 56.2 | 143.2 | 56.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 563 | D | 29.3 | Very low | 29.6 | Very low | 161 Ų | 161 | 123.1 Ų | 123.1 | 86% | 0.861 | 73% | 0.728 | S | S | * | * | cis | -155 | 172.7 | 1.4 | -102.5 | -38 | 0 | 0 | 0 | 109.9 | ||||
| 564 | G | 31.9 | Very low | 29.7 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 73% | 0.726 | S | S | * | * | trans | 89.1 | 141.1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 565 | S | 28.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 73% | 0.732 | S | S | * | * | cis | 79.4 | 150.1 | 39.5 | -62.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 566 | T | 33 | Very low | 30.1 | Very low | 133 Ų | 133 | 125.6 Ų | 125.6 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | trans | 68.3 | 118.1 | -176.9 | 3.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 567 | L | 26.4 | Very low | 30.1 | Very low | 171 Ų | 171 | 128.5 Ų | 128.5 | 90% | 0.895 | 74% | 0.744 | S | S | * | * | 58.7 | 121 | 58.5 | -84.3 | 167.3 | 0 | 0 | 0 | 114.6 | |||||
| 568 | G | 32.6 | Very low | 30.3 | Very low | 67 Ų | 67 | 125 Ų | 125 | 69% | 0.691 | 74% | 0.74 | S | S | * | * | trans | 101.1 | 136.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 569 | R | 28.2 | Very low | 30.3 | Very low | 232 Ų | 232 | 127.5 Ų | 127.5 | 88% | 0.875 | 74% | 0.744 | S | S | * | * | cis | 114.3 | 140.4 | 20 | -98.9 | -165.5 | 174.5 | -174.2 | 0.7 | 108.7 | ||||
| 570 | I | 31.6 | Very low | 30.6 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 72.1 | 115.7 | 169.5 | -58.2 | 153.5 | 0 | 0 | 0 | 110.4 | ||||
| 571 | S | 28.6 | Very low | 30.5 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 76% | 0.758 | S | S | * | * | 61 | 148.9 | 80.5 | -29.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 572 | D | 31.6 | Very low | 30.7 | Very low | 138 Ų | 138 | 135 Ų | 135 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | cis | -155.5 | 178.9 | 16 | -133.1 | -41.7 | 0 | 0 | 0 | 112.4 | ||||
| 573 | D | 32.8 | Very low | 30.6 | Very low | 99 Ų | 99 | 135.5 Ų | 135.5 | 53% | 0.529 | 76% | 0.764 | S | S | . | * | trans | 59.8 | 125.5 | 147.9 | -91.5 | -34.7 | 0 | 0 | 0 | 124.5 | ||||
| 574 | R | 31.9 | Very low | 30.8 | Very low | 180 Ų | 180 | 130.9 Ų | 130.9 | 68% | 0.679 | 76% | 0.755 | S | S | * | * | 85.5 | 118.2 | 126.6 | -72.5 | 165.4 | -159 | 178 | 21 | 124.2 | |||||
| 575 | K | 30.4 | Very low | 30.5 | Very low | 196 Ų | 196 | 135.7 Ų | 135.7 | 85% | 0.852 | 76% | 0.758 | S | S | * | * | 64.3 | 133.3 | 124.2 | -62.1 | 173.6 | -180 | -176.8 | 0 | 119.8 | |||||
| 576 | G | 33.1 | Very low | 30.5 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | trans | 163.8 | 75.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 577 | T | 29 | Very low | 30.3 | Very low | 133 Ų | 133 | 137.8 Ų | 137.8 | 82% | 0.816 | 74% | 0.741 | S | S | * | * | trans | -69.1 | 141.8 | 164.1 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 578 | P | 34.9 | Very low | 30.3 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 72% | 0.721 | 73% | 0.734 | S | S | * | * | -129.9 | 167.8 | 91.1 | 15.1 | 7 | 0 | 0 | 0 | 112.2 | |||||
| 579 | L | 26.5 | Very low | 30.3 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | cis | 72.9 | 155.1 | 38.2 | -82.8 | 169.4 | 0 | 0 | 0 | 115.4 | ||||
| 580 | L | 34.2 | Very low | 30.4 | Very low | 154 Ų | 154 | 132 Ų | 132 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | 73.9 | 116.9 | -175.4 | -48.5 | 172.3 | 0 | 0 | 0 | 113.7 | ||||
| 581 | R | 26.7 | Very low | 30.4 | Very low | 210 Ų | 210 | 128.5 Ų | 128.5 | 79% | 0.792 | 73% | 0.731 | S | S | * | * | cis | 72.4 | 111.6 | 29.8 | -164.2 | -170 | -85.9 | -176.7 | -4.6 | 112.5 | A583 | R581-A583 HydrophobicContact CG-CB 3.91Å; R581-A583 VanDerWaalsContact CG-N 3.32Å | ||
| 582 | P | 34 | Very low | 30.5 | Very low | 126 Ų | 126 | 128.1 Ų | 128.1 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | -92.5 | 144.5 | 96.5 | -22.8 | 35.1 | 0 | 0 | 0 | 112.2 | |||||
| 583 | A | 28 | Very low | 30.5 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | cis | 72.9 | 136.5 | 25.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R581 | R581-A583 HydrophobicContact CG-CB 3.91Å; R581-A583 VanDerWaalsContact CG-N 3.32Å | ||
| 584 | G | 32.6 | Very low | 30.2 | Very low | 65 Ų | 65 | 133.3 Ų | 133.3 | 67% | 0.67 | 74% | 0.742 | S | S | * | * | trans | 97.8 | 110.9 | -168 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 585 | F | 27 | Very low | 30.2 | Very low | 164 Ų | 164 | 130.3 Ų | 130.3 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | cis | 55 | 142.9 | 16.2 | -78 | -101.5 | 0 | 0 | 0 | 113 | ||||
| 586 | D | 28.2 | Very low | 30.1 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 56% | 0.561 | 74% | 0.739 | S | S | * | * | cis | -97.6 | 175.7 | 6.7 | -98.2 | -68.1 | 0 | 0 | 0 | 111.8 | ||||
| 587 | R | 27.4 | Very low | 30.4 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | 39.8 | 152.4 | 69.3 | -34.7 | 178.4 | -172.1 | 119.6 | -16.7 | 111.8 | |||||
| 588 | T | 27.8 | Very low | 30.5 | Very low | 123 Ų | 123 | 129.7 Ų | 129.7 | 76% | 0.755 | 73% | 0.73 | S | S | * | * | cis | -159.1 | 165.9 | 25.6 | -24.5 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 589 | I | 30.8 | Very low | 30 | Very low | 155 Ų | 155 | 133 Ų | 133 | 80% | 0.795 | 74% | 0.735 | S | S | * | * | cis | -133.5 | 144.4 | 12.9 | -59.9 | 173.3 | 0 | 0 | 0 | 103.5 | ||||
| 590 | G | 30.9 | Very low | 30 | Very low | 70 Ų | 70 | 128.8 Ų | 128.8 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | 79.1 | 158 | 57.5 | 0 | 0 | 0 | 0 | 0 | 110 | |||||
| 591 | G | 31.7 | Very low | 29.8 | Very low | 71 Ų | 71 | 129 Ų | 129 | 73% | 0.732 | 73% | 0.731 | S | S | * | * | trans | 95.7 | 102.4 | -163.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 592 | A | 30.6 | Very low | 30 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | 67.2 | 133.2 | 59.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 593 | Q | 31 | Very low | 29.6 | Very low | 143 Ų | 143 | 122.5 Ų | 122.5 | 67% | 0.668 | 72% | 0.718 | S | S | * | * | cis | -155.4 | 142.7 | -1.7 | -118.3 | 179.4 | 60.5 | 0 | 0 | 106.4 | ||||
| 594 | R | 28.3 | Very low | 29.6 | Very low | 204 Ų | 204 | 127.4 Ų | 127.4 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | 69.7 | 162.9 | 91 | -169.5 | -158.3 | 177.7 | -158.6 | 2.7 | 112.9 | |||||
| 595 | I | 30.5 | Very low | 29.4 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 60% | 0.595 | 72% | 0.724 | S | S | * | * | trans | 84.6 | 93.9 | 164.9 | -48.4 | -173.3 | 0 | 0 | 0 | 116.5 | ||||
| 596 | K | 29.4 | Very low | 29.5 | Very low | 199 Ų | 199 | 129.5 Ų | 129.5 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | 59.6 | 158.4 | 136.1 | -52 | 176.7 | 179.4 | -177.2 | 0 | 121.3 | ||||
| 597 | A | 38.7 | Very low | 29.5 | Very low | 84 Ų | 84 | 129.8 Ų | 129.8 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | trans | -67.8 | 170.2 | 149.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 598 | P | 30.5 | Very low | 29.8 | Very low | 111 Ų | 111 | 130.3 Ų | 130.3 | 72% | 0.721 | 74% | 0.741 | S | S | * | * | -144.9 | -165.1 | 89.6 | 39.6 | -23.3 | 0 | 0 | 0 | 113.8 | |||||
| 599 | E | 24.5 | Very low | 29.8 | Very low | 180 Ų | 180 | 132.4 Ų | 132.4 | 84% | 0.841 | 74% | 0.742 | S | S | * | * | trans | -50.6 | 167.6 | 160.4 | -48 | 110.1 | 140.9 | 0 | 0 | 113.1 | ||||
| 600 | G | 27.3 | Very low | 30.1 | Very low | 71 Ų | 71 | 129.6 Ų | 129.6 | 73% | 0.732 | 73% | 0.734 | S | S | * | * | trans | 155.9 | 95.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 601 | I | 30 | Very low | 30 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 82% | 0.815 | 73% | 0.731 | S | S | * | * | trans | -73.3 | 132.5 | 161.4 | -66.5 | 160.2 | 0 | 0 | 0 | 108 | ||||
| 602 | P | 31.4 | Very low | 29.8 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | -134.1 | 132.5 | 117.7 | 34.3 | -23.9 | 0 | 0 | 0 | 111.1 | |||||
| 603 | S | 24.7 | Very low | 29.5 | Very low | 86 Ų | 86 | 137.2 Ų | 137.2 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | cis | 61.6 | 89.9 | 41 | 83.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 604 | H | 29.4 | Very low | 29.6 | Very low | 182 Ų | 182 | 133.5 Ų | 133.5 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | trans | 163.3 | 141.1 | 151.5 | -98.2 | -78.7 | 0 | 0 | 0 | 108.4 | ||||
| 605 | S | 26.9 | Very low | 29.6 | Very low | 86 Ų | 86 | 135.7 Ų | 135.7 | 60% | 0.601 | 75% | 0.747 | S | S | * | * | cis | -170 | 177.3 | -21.5 | 38 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 606 | F | 29.9 | Very low | 29.5 | Very low | 186 Ų | 186 | 133.6 Ų | 133.6 | 82% | 0.816 | 75% | 0.754 | S | S | * | * | trans | 68.2 | 104.6 | -179.8 | -85.4 | -97.4 | 0 | 0 | 0 | 115.3 | ||||
| 607 | V | 27.3 | Very low | 29.9 | Very low | 112 Ų | 112 | 130.7 Ų | 130.7 | 68% | 0.679 | 76% | 0.756 | S | S | * | * | cis | 74.4 | 99.6 | 29.2 | -165.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 608 | K | 34.8 | Very low | 29.5 | Very low | 198 Ų | 198 | 129.8 Ų | 129.8 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | -159 | 98.4 | 116.4 | -116.7 | 178.4 | 179.3 | 179.6 | 0 | 113.6 | |||||
| 609 | E | 28.3 | Very low | 29.4 | Very low | 166 Ų | 166 | 132.3 Ų | 132.3 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | -17.7 | 171 | 125.5 | -105.5 | -169.9 | -170.8 | 0 | 0 | 118.1 | |||||
| 610 | P | 35.7 | Very low | 29.6 | Very low | 96 Ų | 96 | 129.7 Ų | 129.7 | 62% | 0.623 | 76% | 0.758 | S | S | * | * | cis | -144.1 | -168.9 | 5.8 | 29.7 | -3.9 | 0 | 0 | 0 | 117.2 | ||||
| 611 | V | 28.4 | Very low | 29.7 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 67% | 0.667 | 76% | 0.761 | S | S | * | * | 96.7 | 110.1 | 128.9 | 131.6 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 612 | Q | 27.7 | Very low | 29.8 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | 50.6 | 121.4 | 129 | -64.8 | 167.6 | -5.7 | 0 | 0 | 119.2 | |||||
| 613 | S | 25 | Very low | 29.8 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 74.9 | 96.5 | 59.2 | 82.6 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 614 | G | 32.1 | Very low | 30 | Very low | 66 Ų | 66 | 128.4 Ų | 128.4 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | trans | -163.9 | 120.4 | 164.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 615 | Y | 29.8 | Very low | 30.1 | Very low | 250 Ų | 250 | 123.5 Ų | 123.5 | 98% | 0.98 | 78% | 0.777 | S | S | * | * | 70.1 | 134.1 | 76.2 | -83.8 | -68.6 | 0 | 0 | 0 | 114.5 | |||||
| 616 | G | 28.1 | Very low | 30.2 | Very low | 72 Ų | 72 | 123 Ų | 123 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | trans | 95.7 | 97.7 | 160 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 617 | P | 37.8 | Very low | 30.1 | Very low | 138 Ų | 138 | 118.8 Ų | 118.8 | 90% | 0.896 | 79% | 0.786 | S | S | * | * | trans | -91.3 | 152.3 | 162.9 | 35.8 | -32.2 | 0 | 0 | 0 | 113.1 | ||||
| 618 | G | 29.1 | Very low | 30 | Very low | 65 Ų | 65 | 119.7 Ų | 119.7 | 67% | 0.67 | 79% | 0.791 | S | S | * | * | trans | -152.3 | 143.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 619 | N | 28.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 116.7 Ų | 116.7 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | 53.1 | 124.7 | 64.1 | -70.5 | 2.9 | 0 | 0 | 0 | 110.7 | |||||
| 620 | V | 30.5 | Very low | 29.5 | Very low | 124 Ų | 124 | 112 Ų | 112 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | cis | -144.3 | 129.1 | 30.2 | 171.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 621 | S | 27.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 113.6 Ų | 113.6 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | 68.6 | 141.3 | 84.7 | 135.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 622 | G | 32.8 | Very low | 28.9 | Very low | 79 Ų | 79 | 114.6 Ų | 114.6 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 87.4 | 146.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 623 | G | 31.2 | Very low | 29.1 | Very low | 75 Ų | 75 | 111.6 Ų | 111.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | cis | 179.4 | 137.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 624 | S | 29.3 | Very low | 29.3 | Very low | 133 Ų | 133 | 111.7 Ų | 111.7 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | 39.6 | 131.9 | 142.2 | -157 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 625 | G | 30.2 | Very low | 29 | Very low | 79 Ų | 79 | 115.8 Ų | 115.8 | 81% | 0.814 | 80% | 0.799 | S | S | * | * | trans | 82.9 | 154.3 | 153 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 626 | G | 28.9 | Very low | 28.9 | Very low | 77 Ų | 77 | 108.7 Ų | 108.7 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | cis | -169.9 | 170.3 | -3.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 627 | A | 28.2 | Very low | 28.8 | Very low | 97 Ų | 97 | 113.8 Ų | 113.8 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -70.1 | 170 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 628 | V | 26.1 | Very low | 28.3 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | -162.6 | 144.3 | 56.6 | 166.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 629 | V | 26.8 | Very low | 28.3 | Very low | 134 Ų | 134 | 124.4 Ų | 124.4 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | 3 | 133 | 153.7 | -173.5 | 0 | 0 | 0 | 0 | 121.6 | V631 | V629-V631 HydrophobicContact CG1-CG2 4.2Š| ||
| 630 | G | 26.3 | Very low | 28.1 | Very low | 67 Ų | 67 | 122.5 Ų | 122.5 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | trans | 166.3 | 111 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 631 | V | 26.7 | Very low | 27.9 | Very low | 130 Ų | 130 | 122 Ų | 122 | 79% | 0.788 | 78% | 0.779 | S | S | * | * | 53.7 | 104 | 54.7 | -160.8 | 0 | 0 | 0 | 0 | 109.1 | V629 | V629-V631 HydrophobicContact CG1-CG2 4.2Š| |||
| 632 | V | 25.1 | Very low | 27.8 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 79% | 0.794 | 76% | 0.76 | S | S | * | * | -153.7 | 167 | 75 | 163.1 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 633 | S | 30.1 | Very low | 27.5 | Very low | 101 Ų | 101 | 118 Ų | 118 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -47.9 | 157.9 | 170.4 | -42.7 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 634 | P | 29.5 | Very low | 27.8 | Very low | 117 Ų | 117 | 118.2 Ų | 118.2 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | -125.6 | 151.2 | 104.6 | 3.7 | 17.8 | 0 | 0 | 0 | 111.7 | |||||
| 635 | I | 25.5 | Very low | 27.7 | Very low | 153 Ų | 153 | 117 Ų | 117 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | 66.8 | 132.7 | 60.7 | -64.5 | 177.2 | 0 | 0 | 0 | 113.7 | |||||
| 636 | S | 28.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 122.8 Ų | 122.8 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | -45.4 | 149.6 | 179.8 | -48.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 637 | Q | 27.1 | Very low | 27.7 | Very low | 180 Ų | 180 | 122.3 Ų | 122.3 | 84% | 0.841 | 72% | 0.722 | S | S | * | * | -164.5 | 149.9 | 124.5 | -110.7 | 151.6 | 98.5 | 0 | 0 | 118.2 | |||||
| 638 | R | 26.5 | Very low | 27.6 | Very low | 212 Ų | 212 | 125 Ų | 125 | 80% | 0.8 | 72% | 0.723 | S | S | * | * | trans | -49.8 | 141.1 | 160.1 | -59.1 | 163.6 | 158.6 | -173.9 | -7 | 112 | ||||
| 639 | R | 28.4 | Very low | 27.8 | Very low | 213 Ų | 213 | 127 Ų | 127 | 80% | 0.804 | 72% | 0.724 | S | S | * | * | 166.4 | 140.8 | 107.1 | -96.9 | 168.9 | 176.1 | 141.2 | -4.9 | 112.2 | |||||
| 640 | T | 25.2 | Very low | 28.3 | Very low | 125 Ų | 125 | 125.8 Ų | 125.8 | 77% | 0.767 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -69.9 | 144.7 | 148.7 | 42.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 641 | L | 25.4 | Very low | 28.6 | Very low | 113 Ų | 113 | 128 Ų | 128 | 59% | 0.592 | 72% | 0.724 | S | S | * | * | trans | 82.3 | 115.5 | 170.5 | -48.5 | 173.3 | 0 | 0 | 0 | 118.4 | L519 | L519-L641 HydrophobicContact CD2-CD1 4.24Š| ||
| 642 | S | 26.7 | Very low | 29 | Very low | 56 Ų | 56 | 128.7 Ų | 128.7 | 39% | 0.392 | 73% | 0.728 | S | S | . | * | trans | 107 | 116.3 | 133.2 | -59.1 | 0 | 0 | 0 | 0 | 123.8 | T518 | T518-S642 PolarHBondContact N-OG 2.92Š| ||
| 643 | A | 26.4 | Very low | 29.2 | Very low | 53 Ų | 53 | 128.4 Ų | 128.4 | 44% | 0.438 | 73% | 0.727 | S | S | . | * | trans | 111.3 | 132.4 | 130.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | K516 P517 | K516-A643 WeakPolarHBondContact CD-O 3.49Å; K516-A643 WeakPolarHBondContact CE-O 3.36Å; K516-A643 PolarHBondContact NZ-O 2.95Å; P517-A643 HydrophobicContact CB-CB 4.14Å; P517-A643 VanDerWaalsContact CB-N 3.33Å | ||
| 644 | P | 38 | Very low | 29.4 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 52% | 0.519 | 73% | 0.733 | S | S | . | * | trans | -101.7 | 157.3 | 177.8 | 37.9 | -29.1 | 0 | 0 | 0 | 113.6 | K516 | K516-P644 HydrophobicContact CD-CB 4.01Š| ||
| 645 | S | 27.2 | Very low | 29.5 | Very low | 108 Ų | 108 | 130.5 Ų | 130.5 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | -163.5 | 148.2 | 89.4 | 52 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 646 | Q | 28.4 | Very low | 30 | Very low | 200 Ų | 200 | 126.5 Ų | 126.5 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | 66.4 | 142 | 94.1 | -59.8 | -162.5 | -4.7 | 0 | 0 | 119.6 | |||||
| 647 | G | 29.3 | Very low | 30.3 | Very low | 67 Ų | 67 | 129.7 Ų | 129.7 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | trans | 107.3 | 108.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 648 | N | 27.9 | Very low | 30.4 | Very low | 155 Ų | 155 | 126.4 Ų | 126.4 | 83% | 0.829 | 74% | 0.739 | S | S | * | * | 74.7 | 103.7 | 62.3 | -69 | 27 | 0 | 0 | 0 | 112.5 | |||||
| 649 | E | 29.2 | Very low | 30.7 | Very low | 171 Ų | 171 | 119.3 Ų | 119.3 | 80% | 0.799 | 73% | 0.732 | S | S | * | * | 88.4 | 155.5 | 85.8 | -76.5 | -86.9 | 119.9 | 0 | 0 | 113.1 | |||||
| 650 | P | 36.4 | Very low | 30.8 | Very low | 110 Ų | 110 | 117.4 Ų | 117.4 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | cis | -133.1 | -147.5 | -43.7 | 39.4 | -20.7 | 0 | 0 | 0 | 112.9 | ||||
| 651 | S | 33.5 | Very low | 30.9 | Very low | 113 Ų | 113 | 119.2 Ų | 119.2 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | trans | -110.2 | 162.4 | -163.6 | -44.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 652 | T | 34.2 | Very low | 31.2 | Very low | 144 Ų | 144 | 118 Ų | 118 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | trans | -149.3 | -178.8 | 158.3 | -9.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 653 | T | 30.8 | Very low | 31.4 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | trans | -136.4 | -173.5 | -150.9 | -45.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 654 | I | 34.1 | Very low | 31.5 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 84% | 0.836 | 76% | 0.76 | S | S | * | * | trans | 97.7 | 151.6 | 163.4 | -54 | 157.9 | 0 | 0 | 0 | 115 | ||||
| 655 | A | 31.3 | Very low | 31.1 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | cis | -174.8 | 171 | -43.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 656 | G | 35.2 | Very low | 31.1 | Very low | 70 Ų | 70 | 124.3 Ų | 124.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | 110.8 | 132.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 657 | D | 34.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 118.7 Ų | 118.7 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | 70.3 | 141.9 | 58.9 | -90.7 | -7.6 | 0 | 0 | 0 | 114.7 | |||||
| 658 | S | 30.5 | Very low | 31.2 | Very low | 110 Ų | 110 | 123.4 Ų | 123.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -167.8 | 170.9 | -6.7 | 50 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 659 | G | 32.4 | Very low | 31.1 | Very low | 64 Ų | 64 | 121.8 Ų | 121.8 | 66% | 0.66 | 75% | 0.753 | S | S | * | * | trans | 106.9 | 132.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 660 | E | 29.7 | Very low | 31 | Very low | 173 Ų | 173 | 118.4 Ų | 118.4 | 81% | 0.808 | 75% | 0.749 | S | S | * | * | cis | 77.7 | 138.3 | 46.9 | -63.6 | -163.5 | 115.8 | 0 | 0 | 113.8 | ||||
| 661 | Q | 28.8 | Very low | 30.6 | Very low | 162 Ų | 162 | 121.8 Ų | 121.8 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | cis | -147.6 | -152.8 | 1.4 | -128.9 | 176.3 | 41.6 | 0 | 0 | 112 | ||||
| 662 | S | 30.3 | Very low | 30.4 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 76% | 0.756 | S | S | * | * | trans | -70 | -171.4 | -173.8 | 54.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 663 | D | 31 | Very low | 30.6 | Very low | 130 Ų | 130 | 121.8 Ų | 121.8 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | cis | -150.5 | 145.7 | 18 | -101.7 | -60.1 | 0 | 0 | 0 | 108.9 | ||||
| 664 | S | 29.2 | Very low | 30.4 | Very low | 102 Ų | 102 | 120.6 Ų | 120.6 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | 86.1 | 149.7 | 69.1 | -57.3 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 665 | A | 28.5 | Very low | 30 | Very low | 91 Ų | 91 | 121.5 Ų | 121.5 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 72.1 | 122.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 666 | S | 28 | Very low | 29.7 | Very low | 107 Ų | 107 | 122.7 Ų | 122.7 | 75% | 0.748 | 74% | 0.741 | S | S | * | * | 97.9 | 144 | 68.2 | 75.1 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 667 | S | 29 | Very low | 29.2 | Very low | 81 Ų | 81 | 126.4 Ų | 126.4 | 57% | 0.566 | 75% | 0.745 | S | S | * | * | cis | 175.2 | 168.3 | -3.8 | 43.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 668 | H | 30.5 | Very low | 28.7 | Very low | 167 Ų | 167 | 122.7 Ų | 122.7 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 68.7 | 151.9 | 161.1 | -56.4 | -54.7 | 0 | 0 | 0 | 116.6 | ||||
| 669 | T | 27 | Very low | 28.6 | Very low | 121 Ų | 121 | 124.7 Ų | 124.7 | 74% | 0.742 | 73% | 0.732 | S | S | * | * | cis | -155.8 | 162.6 | -10.3 | 8.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 670 | S | 26.4 | Very low | 28.4 | Very low | 100 Ų | 100 | 128.3 Ų | 128.3 | 70% | 0.699 | 74% | 0.735 | S | S | * | * | trans | 19.5 | 143.7 | 133.3 | -125.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 671 | E | 28.5 | Very low | 28.4 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 84% | 0.841 | 74% | 0.737 | S | S | * | * | cis | -153.8 | -170.5 | 44.4 | -67 | -167.4 | 116.3 | 0 | 0 | 114.3 | ||||
| 672 | N | 29.4 | Very low | 28.4 | Very low | 152 Ų | 152 | 127.8 Ų | 127.8 | 81% | 0.813 | 74% | 0.735 | S | S | * | * | trans | -97.8 | -167.5 | 170.7 | -43.6 | -94.5 | 0 | 0 | 0 | 109.7 | ||||
| 673 | P | 37.7 | Very low | 28.6 | Very low | 106 Ų | 106 | 128.9 Ų | 128.9 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | cis | -129 | -173.3 | -20.6 | 33.4 | -12.8 | 0 | 0 | 0 | 113.3 | ||||
| 674 | S | 26.7 | Very low | 28.9 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 58.9 | 136.8 | 147.7 | 56.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 675 | E | 25.9 | Very low | 28.9 | Very low | 183 Ų | 183 | 128.8 Ų | 128.8 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | trans | 66.3 | 175.8 | 164.4 | -60.8 | -168 | 166.6 | 0 | 0 | 117.2 | ||||
| 676 | T | 23.8 | Very low | 28.7 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 74% | 0.742 | S | S | * | * | trans | 64.5 | 128.6 | -176.6 | 64.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 677 | N | 24.9 | Very low | 28.6 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | 67.7 | 132.6 | 57.8 | -71.7 | -34.5 | 0 | 0 | 0 | 112.4 | |||||
| 678 | S | 25.5 | Very low | 28.7 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 62% | 0.615 | 75% | 0.748 | S | S | * | * | cis | -175.9 | -175.6 | 4.8 | 45.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 679 | I | 27.8 | Very low | 29.4 | Very low | 153 Ų | 153 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | 75 | 127.6 | 153.8 | -73.8 | 158.8 | 0 | 0 | 0 | 114.1 | ||||
| 680 | I | 27.9 | Very low | 29.7 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | S | Bend | -143.2 | 135.6 | 56.5 | -71.1 | 177 | 0 | 0 | 0 | 112.8 | |||
| 681 | Y | 30.2 | Very low | 29.9 | Very low | 217 Ų | 217 | 136 Ų | 136 | 85% | 0.851 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 50.9 | 133.1 | 172.1 | -76 | -80.3 | 0 | 0 | 0 | 119.2 | ||
| 682 | C | 27.9 | Very low | 29.9 | Very low | 106 Ų | 106 | 131.2 Ų | 131.2 | 72% | 0.716 | 75% | 0.751 | S | S | * | * | cis | -163.3 | 168.4 | -21.1 | -115.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 683 | P | 34.5 | Very low | 29.7 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | -127.9 | -135.5 | -153.4 | 42.8 | -24.1 | 0 | 0 | 0 | 112.9 | ||||
| 684 | P | 36.7 | Very low | 29.2 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | -126.6 | 162.2 | -53.8 | 31.2 | -14.4 | 0 | 0 | 0 | 115.5 | |||||
| 685 | T | 29.6 | Very low | 29.2 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | trans | 50.5 | -176.7 | 135.6 | -46.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 686 | V | 25.3 | Very low | 29.2 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 75% | 0.752 | 72% | 0.722 | S | S | * | * | trans | 78.4 | 134 | 166.8 | 179.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 687 | E | 25.5 | Very low | 29.3 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 72% | 0.718 | S | S | * | * | cis | -160.5 | -174.1 | -15 | -114.4 | -153.9 | 93.5 | 0 | 0 | 111.5 | ||||
| 688 | P | 31.3 | Very low | 29.4 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 64% | 0.636 | 71% | 0.71 | S | S | * | * | trans | -87.9 | 179.9 | -171.5 | 40.1 | -38.4 | 0 | 0 | 0 | 114.3 | ||||
| 689 | P | 45 | Very low | 29.4 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -82.8 | 152 | -168.4 | 34.4 | -34.8 | 0 | 0 | 0 | 113.4 | ||||
| 690 | P | 33.3 | Very low | 29.4 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 83% | 0.825 | 71% | 0.711 | S | S | * | * | -147.8 | -154.6 | 112.5 | 41.2 | -24.8 | 0 | 0 | 0 | 114.8 | |||||
| 691 | M | 30.4 | Very low | 29.4 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 88% | 0.877 | 71% | 0.711 | S | S | * | * | trans | -87 | 167.2 | -164.8 | -48.7 | 172.6 | -68.6 | 0 | 0 | 115.7 | ||||
| 692 | A | 27.8 | Very low | 29.3 | Very low | 79 Ų | 79 | 127.7 Ų | 127.7 | 65% | 0.653 | 70% | 0.703 | S | S | * | * | 118.6 | 138.8 | 121.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 693 | K | 26.9 | Very low | 29.3 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | trans | 68.7 | 152.6 | 151.8 | -68.5 | 165.2 | 158.3 | -76.4 | 0 | 117.3 | ||||
| 694 | E | 26.9 | Very low | 29 | Very low | 137 Ų | 137 | 130 Ų | 130 | 64% | 0.64 | 70% | 0.702 | S | S | * | * | cis | -152.3 | 166.4 | -13.1 | -127.5 | 147 | -172.9 | 0 | 0 | 111.4 | ||||
| 695 | E | 26.4 | Very low | 28.7 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 59% | 0.589 | 71% | 0.709 | S | S | * | * | trans | 29.4 | 126.4 | 151.1 | -103.8 | 180 | 136.6 | 0 | 0 | 120.9 | R697 | E695-R697 IonicContact OE1-CZ 2.62Å; E695-R697 IonicContact OE1-NE 2.68Å; E695-R697 PolarHBondContact OE1-NE 2.85Å; E695-R697 IonicContact OE1-NH2 2.71Å; E695-R697 PolarHBondContact OE1-NH2 3.09Å; E695-R697 IonicContact OE2-NH2 3.37Å | ||
| 696 | C | 26.3 | Very low | 28.7 | Very low | 72 Ų | 72 | 129.4 Ų | 129.4 | 49% | 0.486 | 71% | 0.712 | S | S | . | * | -158.6 | 136.5 | 72.3 | -101.5 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 697 | R | 24.8 | Very low | 28.9 | Very low | 182 Ų | 182 | 127 Ų | 127 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | 49.1 | 136.9 | 111 | -60.2 | -177.4 | -166.5 | 179.7 | 6.4 | 118.8 | E695 | E695-R697 IonicContact OE1-CZ 2.62Å; E695-R697 IonicContact OE1-NE 2.68Å; E695-R697 PolarHBondContact OE1-NE 2.85Å; E695-R697 IonicContact OE1-NH2 2.71Å; E695-R697 PolarHBondContact OE1-NH2 3.09Å; E695-R697 IonicContact OE2-NH2 3.37Å | |||
| 698 | T | 26.5 | Very low | 29.1 | Very low | 99 Ų | 99 | 128.1 Ų | 128.1 | 61% | 0.607 | 71% | 0.71 | S | S | * | * | cis | -162.6 | 151.6 | 9.4 | 6 | 0 | 0 | 0 | 0 | 112 | ||||
| 699 | E | 26.1 | Very low | 29.1 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 77% | 0.771 | 72% | 0.718 | S | S | * | * | trans | 64.3 | 157.3 | 141.2 | -68.7 | 160.8 | -158.2 | 0 | 0 | 120.3 | ||||
| 700 | T | 27.5 | Very low | 28.3 | Very low | 107 Ų | 107 | 125.5 Ų | 125.5 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | cis | -155.2 | 161.9 | -12.5 | 19.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 701 | H | 28.7 | Very low | 28.1 | Very low | 155 Ų | 155 | 123 Ų | 123 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | 65.2 | 133.9 | 157.2 | -81.7 | -127.5 | 0 | 0 | 0 | 117.1 | ||||
| 702 | L | 27.5 | Very low | 28 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 68% | 0.681 | 72% | 0.72 | S | S | * | * | 66.9 | 135.3 | 61.5 | -61.1 | 163.4 | 0 | 0 | 0 | 111.5 | |||||
| 703 | D | 28.7 | Very low | 27.9 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 64% | 0.636 | 72% | 0.722 | S | S | * | * | cis | -156 | 172.2 | 19.7 | -144.7 | -6.5 | 0 | 0 | 0 | 116.1 | ||||
| 704 | N | 27.7 | Very low | 27.8 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 72% | 0.722 | S | S | * | * | trans | 19.9 | 129.1 | 151.7 | -72.9 | -48.9 | 0 | 0 | 0 | 121.3 | ||||
| 705 | G | 30.9 | Very low | 27.7 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 73% | 0.728 | S | S | * | * | trans | -167.5 | 86 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 706 | T | 29 | Very low | 27.5 | Very low | 143 Ų | 143 | 130.3 Ų | 130.3 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | -48.3 | 157.4 | 162.4 | -1.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 707 | A | 30.1 | Very low | 27.5 | Very low | 74 Ų | 74 | 134 Ų | 134 | 61% | 0.612 | 75% | 0.752 | S | S | * | * | cis | -162.8 | 169.8 | 14 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 708 | Q | 29.1 | Very low | 27.5 | Very low | 194 Ų | 194 | 131.9 Ų | 131.9 | 91% | 0.907 | 75% | 0.75 | S | S | * | * | trans | 64.5 | 139 | 145.4 | -73.2 | 174.3 | 3.6 | 0 | 0 | 122.8 | ||||
| 709 | G | 32.3 | Very low | 27.3 | Very low | 78 Ų | 78 | 129.9 Ų | 129.9 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 82.6 | 105.3 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 710 | G | 28.5 | Very low | 27.1 | Very low | 85 Ų | 85 | 126.2 Ų | 126.2 | 88% | 0.876 | 73% | 0.727 | S | S | * | * | cis | 82.2 | 109 | 5.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 711 | G | 28.6 | Very low | 26.9 | Very low | 73 Ų | 73 | 124.6 Ų | 124.6 | 75% | 0.753 | 71% | 0.711 | S | S | * | * | cis | 177.1 | 177 | -7.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 712 | R | 26.8 | Very low | 26.7 | Very low | 233 Ų | 233 | 124.1 Ų | 124.1 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | -14.2 | 140.2 | 148.1 | -75.4 | 172.4 | 174.8 | 159.2 | -0.8 | 114.3 | ||||
| 713 | T | 26.3 | Very low | 26.4 | Very low | 114 Ų | 114 | 123.4 Ų | 123.4 | 70% | 0.699 | 71% | 0.713 | S | S | * | * | cis | -176.6 | 158.3 | 33 | 10.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 714 | K | 24.7 | Very low | 26.2 | Very low | 165 Ų | 165 | 123.5 Ų | 123.5 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | 58.1 | 115.3 | 143.2 | -73.2 | 177 | 176.5 | -174.3 | 0 | 121.7 | ||||
| 715 | S | 24.9 | Very low | 26.1 | Very low | 111 Ų | 111 | 123.7 Ų | 123.7 | 78% | 0.776 | 72% | 0.715 | S | S | * | * | 75.5 | 153 | 123.9 | 73.2 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 716 | R | 23.5 | Very low | 25.8 | Very low | 216 Ų | 216 | 123 Ų | 123 | 82% | 0.815 | 71% | 0.708 | S | S | * | * | trans | 71.6 | 167.7 | -178.1 | -160.4 | 170 | 177.7 | 171.8 | -0.8 | 112.9 | ||||
| 717 | I | 26.3 | Very low | 25.7 | Very low | 149 Ų | 149 | 122.5 Ų | 122.5 | 76% | 0.764 | 70% | 0.704 | S | S | * | * | trans | 69.4 | 85.8 | -161.7 | -49.8 | 171.8 | 0 | 0 | 0 | 107.2 | ||||
| 718 | E | 23.5 | Very low | 25.4 | Very low | 137 Ų | 137 | 124.3 Ų | 124.3 | 64% | 0.64 | 71% | 0.708 | S | S | * | * | 64.2 | 130 | 51.5 | -141.3 | 177 | 173.5 | 0 | 0 | 109.1 | |||||
| 719 | T | 22.1 | Very low | 25.4 | Very low | 58 Ų | 58 | 122.6 Ų | 122.6 | 36% | 0.356 | 70% | 0.703 | S | S | . | * | trans | 75.6 | 172.4 | 162.9 | 83.5 | 0 | 0 | 0 | 0 | 118.4 | S147 E148 | S147-T719 CarbonylContact O-C 3.54Å; S147-T719 WeakPolarHBondContact O-CA 3.4Å; S147-T719 WeakPolarHBondContact O-CB 3.47Å; E148-T719 HydrophobicContact CB-CG2 4.48Å; E148-T719 WeakPolarHBondContact CB-OG1 3.4Å; E148-T719 HydrophobicContact CG-CG2 4.17Å; E148-T719 WeakPolarHBondContact CG-OG1 3.38Å | ||
| 720 | T | 22.7 | Very low | 25.2 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 54% | 0.54 | 69% | 0.692 | S | S | . | * | trans | -117.1 | 178.6 | -154 | -47.5 | 0 | 0 | 0 | 0 | 111 | S147 E148 | S147-T720 WeakPolarHBondContact O-CA 3.42Å; S147-T720 WeakPolarHBondContact O-CB 3.34Å; S147-T720 PolarHBondContact O-N 2.87Å; S147-T720 PolarHBondContact O-OG1 3.23Å; E148-T720 WeakPolarHBondContact O-CB 3.37Å | ||
| 721 | F | 23.1 | Very low | 25.4 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 32% | 0.316 | 69% | 0.692 | S | S | . | * | -160.2 | -167.2 | 127.4 | -114.6 | -62.2 | 0 | 0 | 0 | 114.9 | E148 Q149 K150 | E148-F721 VanDerWaalsContact C-CG 3.42Å; E148-F721 VanDerWaalsContact CA-CZ 3.46Å; E148-F721 HydrophobicContact CB-CD2 3.29Å; E148-F721 HydrophobicContact CB-CE2 3.04Å; E148-F721 HydrophobicContact CB-CZ 4.26Å; E148-F721 HydrophobicContact CG-CD2 4.3Å; E148-F721 HydrophobicContact CG-CE2 3.68Å; Q149-F721 VanDerWaalsContact C-CD1 3.43Å; Q149-F721 HydrophobicContact CB-CB 3.42Å; Q149-F721 VanDerWaalsContact CB-CB 3.42Å; Q149-F721 HydrophobicContact CB-CD1 2.76Å; Q149-F721 HydrophobicContact CB-CD2 3.18Å; Q149-F721 HydrophobicContact CB-CE1 3.45Å; Q149-F721 VanDerWaalsContact CB-CE1 3.45Å; Q149-F721 HydrophobicContact CB-CE2 3.79Å; Q149-F721 HydrophobicContact CB-CG 2.61Å; Q149-F721 HydrophobicContact CB-CZ 3.93Å; Q149-F721 HydrophobicContact CG-CB 3.46Å; Q149-F721 VanDerWaalsContact CG-CB 3.46Å; Q149-F721 HydrophobicContact CG-CD1 3.96Å; Q149-F721 HydrophobicContact CG-CD2 3.29Å; Q149-F721 HydrophobicContact CG-CE2 4.27Å; Q149-F721 HydrophobicContact CG-CG 3.1Å; Q149-F721 WeakPolarHBondContact O-CE1 3.39Å; Q149-F721 VanDerWaalsContact O-CZ 3.24Å; Q149-F721 WeakPolarHBondContact O-CZ 3.47Å; K150-F721 HydrophobicContact CB-CZ 3.98Å; K150-F721 WeakPolarHBondContact O-CZ 3.49Å | |||
| 722 | H | 23.5 | Very low | 25.2 | Very low | 145 Ų | 145 | 129.8 Ų | 129.8 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | trans | -95.6 | 170.1 | -169.2 | -112.3 | -99.3 | 0 | 0 | 0 | 113.1 | ||||
| 723 | C | 23 | Very low | 25.5 | Very low | 115 Ų | 115 | 126.5 Ų | 126.5 | 78% | 0.777 | 68% | 0.681 | S | S | * | * | trans | 66.3 | 159.8 | 161.3 | -64.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 724 | N | 24.3 | Very low | 25.5 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | cis | 172.3 | 148.5 | -24.2 | -168.7 | 67.4 | 0 | 0 | 0 | 101.1 | ||||
| 725 | D | 24.9 | Very low | 25.7 | Very low | 150 Ų | 150 | 124 Ų | 124 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | 64.3 | 154.1 | -177.2 | -45.8 | -60.9 | 0 | 0 | 0 | 113.9 | ||||
| 726 | G | 25 | Very low | 25.8 | Very low | 61 Ų | 61 | 126.4 Ų | 126.4 | 63% | 0.629 | 68% | 0.682 | S | S | * | * | cis | 169 | -152.5 | -2.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 727 | V | 26.4 | Very low | 26 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 81% | 0.812 | 69% | 0.689 | S | S | * | * | trans | 66.3 | 92 | 164.8 | -168.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 728 | V | 24.8 | Very low | 25.9 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 68% | 0.679 | 69% | 0.69 | S | S | * | * | 71 | 123 | 84.1 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T730 | V728-T730 HydrophobicContact CG1-CG2 4.43Š| |||
| 729 | I | 28.7 | Very low | 26 | Very low | 158 Ų | 158 | 127.4 Ų | 127.4 | 81% | 0.81 | 69% | 0.694 | S | S | * | * | -139.1 | 112.2 | 89.6 | -82.1 | 155.6 | 0 | 0 | 0 | 111.5 | |||||
| 730 | T | 26.8 | Very low | 26.1 | Very low | 94 Ų | 94 | 133.4 Ų | 133.4 | 58% | 0.577 | 72% | 0.716 | S | S | * | * | 19.1 | 142.6 | 125.7 | 39.2 | 0 | 0 | 0 | 0 | 119.5 | V728 | V728-T730 HydrophobicContact CG1-CG2 4.43Š| |||
| 731 | H | 32.5 | Very low | 26.3 | Very low | 189 Ų | 189 | 137.4 Ų | 137.4 | 88% | 0.875 | 73% | 0.729 | S | S | * | * | -129.3 | 144.4 | 55.5 | -107.6 | -94.9 | 0 | 0 | 0 | 117.3 | |||||
| 732 | D | 26.2 | Very low | 26.3 | Very low | 103 Ų | 103 | 141 Ų | 141 | 55% | 0.551 | 75% | 0.75 | S | S | * | * | trans | -78.1 | 149.7 | 165.2 | -118.8 | -64.4 | 0 | 0 | 0 | 112 | S734 | D732-S734 VanDerWaalsContact OD1-CB 3.25Å; D732-S734 WeakPolarHBondContact OD1-CB 3.5Å; D732-S734 PolarHBondContact OD1-N 2.96Å; D732-S734 PolarHBondContact OD1-OG 2.75Å | ||
| 733 | I | 31.6 | Very low | 26.3 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 84% | 0.841 | 76% | 0.756 | S | S | * | * | -140.4 | 100 | 112.1 | -57.5 | -171.4 | 0 | 0 | 0 | 108.5 | |||||
| 734 | S | 26.1 | Very low | 26.4 | Very low | 94 Ų | 94 | 138.9 Ų | 138.9 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -96.9 | 132.4 | 164.7 | -55.4 | 0 | 0 | 0 | 0 | 110.9 | D732 | D732-S734 VanDerWaalsContact OD1-CB 3.25Å; D732-S734 WeakPolarHBondContact OD1-CB 3.5Å; D732-S734 PolarHBondContact OD1-N 2.96Å; D732-S734 PolarHBondContact OD1-OG 2.75Å | ||
| 735 | T | 29.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 141.2 Ų | 141.2 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | trans | -140.2 | 80.2 | 161.5 | 38.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 736 | E | 27.4 | Very low | 26.7 | Very low | 162 Ų | 162 | 139 Ų | 139 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | trans | -61.3 | 144.7 | 141.8 | -73.4 | -162.6 | 152.5 | 0 | 0 | 108.7 | ||||
| 737 | R | 26.7 | Very low | 26.9 | Very low | 255 Ų | 255 | 137.7 Ų | 137.7 | 96% | 0.962 | 73% | 0.732 | S | S | * | * | trans | -147.7 | 140.8 | 144 | -115.8 | 175.6 | -165.4 | -147.4 | 1.8 | 112.1 | ||||
| 738 | K | 24.2 | Very low | 27 | Very low | 181 Ų | 181 | 133 Ų | 133 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | trans | -96.1 | 144.6 | -171.9 | -61.2 | 157.5 | -178.5 | 167 | 0 | 110.8 | ||||
| 739 | A | 26.5 | Very low | 27.2 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | -157.7 | 140.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 740 | F | 24.3 | Very low | 27.2 | Very low | 183 Ų | 183 | 135.3 Ų | 135.3 | 80% | 0.803 | 72% | 0.718 | S | S | * | * | cis | 52.9 | 125.9 | 46.1 | -74.7 | -94.9 | 0 | 0 | 0 | 110.3 | ||||
| 741 | E | 25.8 | Very low | 27.3 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 72% | 0.718 | S | S | * | * | cis | -120.7 | 171.3 | 14.8 | -70.1 | 133.1 | 169 | 0 | 0 | 110.4 | ||||
| 742 | L | 23.4 | Very low | 27.1 | Very low | 148 Ų | 148 | 132.7 Ų | 132.7 | 78% | 0.775 | 71% | 0.71 | S | S | * | * | 58.9 | 121.7 | 50.3 | -81.1 | 172.8 | 0 | 0 | 0 | 115.2 | |||||
| 743 | S | 23.9 | Very low | 27.2 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 79% | 0.79 | 72% | 0.72 | S | S | * | * | trans | 64.3 | 137 | -176.5 | 4.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 744 | S | 24.8 | Very low | 27 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 72% | 0.717 | S | S | * | * | cis | 91.5 | 143.4 | 35.6 | -162.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 745 | F | 28.2 | Very low | 27 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 75% | 0.746 | 72% | 0.718 | S | S | * | * | trans | 82.4 | 110.8 | -178.2 | -71.4 | -87.1 | 0 | 0 | 0 | 119.4 | ||||
| 746 | D | 27.7 | Very low | 26.9 | Very low | 103 Ų | 103 | 134 Ų | 134 | 55% | 0.551 | 72% | 0.717 | S | S | * | * | 57.2 | 161.5 | 122.4 | -60.4 | 1.8 | 0 | 0 | 0 | 124.4 | H543 | H543-D746 IonicContact CE1-OD1 2.89Å; H543-D746 PolarHBondContact CE1-OD1 3.41Å; H543-D746 IonicContact NE2-OD1 3.29Å | |||
| 747 | G | 29.2 | Very low | 26.9 | Very low | 34 Ų | 34 | 129 Ų | 129 | 35% | 0.351 | 70% | 0.7 | S | S | . | * | trans | 81.3 | 127.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | A542 H543 | A542-G747 VanDerWaalsContact CB-O 3.3Å; A542-G747 WeakPolarHBondContact CB-O 3.27Å; A542-G747 CarbonylContact O-C 3.43Å; H543-G747 PolarHBondContact CD2-N 2.93Å; H543-G747 VanDerWaalsContact CD2-N 3.32Å; H543-G747 PolarHBondContact NE2-N 2.82Å; H543-G747 VanDerWaalsContact NE2-N 3.17Å | ||
| 748 | G | 29 | Very low | 27 | Very low | 36 Ų | 36 | 121.9 Ų | 121.9 | 37% | 0.371 | 69% | 0.685 | S | S | . | * | cis | 124.3 | 119.5 | -3 | 0 | 0 | 0 | 0 | 0 | 114.1 | A542 | A542-G748 PolarHBondContact O-N 3.17Š| ||
| 749 | L | 27.7 | Very low | 27.1 | Very low | 165 Ų | 165 | 121.3 Ų | 121.3 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | trans | 68.4 | 154.1 | 173.8 | -59.5 | 164.8 | 0 | 0 | 0 | 115.1 | ||||
| 750 | M | 28.6 | Very low | 27.3 | Very low | 153 Ų | 153 | 124.4 Ų | 124.4 | 75% | 0.754 | 69% | 0.686 | S | S | * | * | cis | -171.1 | 176.8 | -24.8 | -170.3 | 170.7 | 86.4 | 0 | 0 | 107.4 | ||||
| 751 | V | 29.7 | Very low | 27.6 | Very low | 96 Ų | 96 | 121.9 Ų | 121.9 | 58% | 0.582 | 69% | 0.688 | S | S | * | * | trans | 85.6 | 102.7 | 161.5 | -171.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 752 | D | 28.6 | Very low | 27.6 | Very low | 131 Ų | 131 | 119.6 Ų | 119.6 | 70% | 0.701 | 68% | 0.679 | S | S | * | * | 38.6 | 150.9 | 106.8 | -20.6 | -38.1 | 0 | 0 | 0 | 119.2 | |||||
| 753 | D | 27.8 | Very low | 27.9 | Very low | 145 Ų | 145 | 120 Ų | 120 | 78% | 0.775 | 68% | 0.677 | S | S | * | * | cis | -161 | -169.7 | -4.1 | -142 | -36.8 | 0 | 0 | 0 | 111.1 | ||||
| 754 | E | 26.7 | Very low | 28.4 | Very low | 164 Ų | 164 | 119.3 Ų | 119.3 | 77% | 0.766 | 67% | 0.67 | S | S | * | * | trans | 29.8 | 109.5 | 153 | -66.2 | -153.6 | 121.2 | 0 | 0 | 119.7 | ||||
| 755 | A | 26.5 | Very low | 28.6 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 67% | 0.674 | S | S | * | * | 86.8 | 174 | 70.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 756 | V | 27.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 117.9 Ų | 117.9 | 78% | 0.776 | 67% | 0.666 | S | S | * | * | trans | 70 | 137.1 | 170.7 | -170.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 757 | S | 28 | Very low | 28.6 | Very low | 57 Ų | 57 | 116 Ų | 116 | 40% | 0.399 | 66% | 0.661 | S | S | . | * | cis | 178.7 | 144.1 | -34.1 | -101 | 0 | 0 | 0 | 0 | 108 | ||||
| 758 | T | 27.9 | Very low | 28.6 | Very low | 105 Ų | 105 | 120.5 Ų | 120.5 | 64% | 0.644 | 68% | 0.684 | S | S | * | * | trans | 65.1 | 123.2 | 151.9 | -49.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 759 | L | 27.7 | Very low | 28.7 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 89% | 0.89 | 71% | 0.706 | S | S | * | * | -150.9 | 159 | 79.9 | -89.1 | 163.1 | 0 | 0 | 0 | 112.9 | |||||
| 760 | K | 30.5 | Very low | 28.7 | Very low | 152 Ų | 152 | 120.2 Ų | 120.2 | 66% | 0.661 | 69% | 0.688 | S | S | * | * | trans | -113.6 | 157.8 | -175.4 | -120.1 | -173.1 | 173.6 | 172.6 | 0 | 111.1 | M762 | K760-M762 HydrophobicContact CD-CB 4.44Å; K760-M762 HydrophobicContact CD-CG 3.87Å; K760-M762 HydrophobicContact CD-SD 3.85Å; K760-M762 PolarHBondContact NZ-SD 3.04Å | ||
| 761 | P | 29.4 | Very low | 28.6 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 84% | 0.844 | 68% | 0.679 | S | S | * | * | -105.6 | 164.8 | 113.7 | -20.5 | 35.7 | 0 | 0 | 0 | 115.9 | |||||
| 762 | M | 27.6 | Very low | 28.6 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 62% | 0.621 | 70% | 0.696 | S | S | * | * | trans | -130 | 157.3 | 175.7 | -119.8 | 165.4 | 81.4 | 0 | 0 | 105.7 | K760 | K760-M762 HydrophobicContact CD-CB 4.44Å; K760-M762 HydrophobicContact CD-CG 3.87Å; K760-M762 HydrophobicContact CD-SD 3.85Å; K760-M762 PolarHBondContact NZ-SD 3.04Å | ||
| 763 | E | 29.9 | Very low | 28.4 | Very low | 155 Ų | 155 | 119.1 Ų | 119.1 | 72% | 0.724 | 70% | 0.695 | S | S | * | * | cis | -154.7 | -164.2 | 25.5 | -75.8 | -148.1 | 122.6 | 0 | 0 | 109.4 | ||||
| 764 | P | 33.5 | Very low | 28.5 | Very low | 100 Ų | 100 | 119.2 Ų | 119.2 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | cis | -124.8 | -177 | -45.3 | 26.3 | -6.8 | 0 | 0 | 0 | 112.9 | ||||
| 765 | V | 28.7 | Very low | 28.6 | Very low | 130 Ų | 130 | 120.1 Ų | 120.1 | 79% | 0.788 | 70% | 0.704 | S | S | * | * | trans | -115.9 | 149.6 | 174.6 | 169.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 766 | L | 28.1 | Very low | 28.6 | Very low | 111 Ų | 111 | 122.4 Ų | 122.4 | 58% | 0.581 | 70% | 0.7 | S | S | * | * | trans | -163.9 | 152.3 | 142 | -108.9 | 162.9 | 0 | 0 | 0 | 116.5 | Q771 | L766-Q771 HydrophobicContact CB-CG 4.3Š| ||
| 767 | S | 28.2 | Very low | 28.5 | Very low | 64 Ų | 64 | 122.4 Ų | 122.4 | 45% | 0.448 | 70% | 0.695 | S | S | . | * | trans | -64.1 | 158.2 | -176.2 | 176 | 0 | 0 | 0 | 0 | 114.8 | T769 A770 | S767-T769 PolarHBondContact O-N 2.67Å; S767-A770 PolarHBondContact O-N 2.87Å | ||
| 768 | P | 29.7 | Very low | 28.6 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | 18.3 | 172.1 | -25.7 | 36 | 0 | 0 | 0 | 118.1 | ||
| 769 | T | 30.7 | Very low | 28.6 | Very low | 135 Ų | 135 | 130.3 Ų | 130.3 | 83% | 0.828 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.9 | -11.4 | 171.8 | -41.4 | 0 | 0 | 0 | 0 | 112.5 | S767 | S767-T769 PolarHBondContact O-N 2.67Š|
| 770 | A | 27 | Very low | 28.6 | Very low | 60 Ų | 60 | 127.7 Ų | 127.7 | 50% | 0.496 | 72% | 0.721 | S | S | . | * | S | Bend | trans | -160.1 | 83.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | S767 | S767-A770 PolarHBondContact O-N 2.87Š|
| 771 | Q | 27.2 | Very low | 28.5 | Very low | 122 Ų | 122 | 125.8 Ų | 125.8 | 57% | 0.57 | 72% | 0.724 | S | S | * | * | trans | -159.3 | 54.9 | 162.5 | -123.1 | 176 | 20.3 | 0 | 0 | 115.8 | L766 | L766-Q771 HydrophobicContact CB-CG 4.3Š| ||
| 772 | V | 28.8 | Very low | 28.4 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 93% | 0.933 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -134.4 | 56.4 | 157.7 | -166.7 | 0 | 0 | 0 | 0 | 109.6 | ||
| 773 | A | 25.7 | Very low | 28.3 | Very low | 82 Ų | 82 | 123.5 Ų | 123.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -153.5 | 136.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||
| 774 | L | 28.3 | Very low | 28.2 | Very low | 146 Ų | 146 | 125.4 Ų | 125.4 | 76% | 0.764 | 74% | 0.743 | S | S | * | * | trans | 66.3 | 70 | 175.1 | -63.3 | 163.9 | 0 | 0 | 0 | 116.2 | H776 | L774-H776 HydrophobicContact CD2-CB 4.26Š| ||
| 775 | L | 29.9 | Very low | 27.9 | Very low | 183 Ų | 183 | 124.6 Ų | 124.6 | 96% | 0.958 | 75% | 0.753 | S | S | * | * | -81.2 | 144.5 | 113.3 | -97.3 | 170.6 | 0 | 0 | 0 | 107.9 | |||||
| 776 | H | 26.9 | Very low | 27.8 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 62% | 0.616 | 75% | 0.747 | S | S | * | * | trans | -129.3 | 131.4 | -161.8 | 176.3 | -103.9 | 0 | 0 | 0 | 110.6 | L774 | L774-H776 HydrophobicContact CD2-CB 4.26Š| ||
| 777 | N | 26 | Very low | 27.8 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 68% | 0.679 | 76% | 0.763 | S | S | * | * | trans | 44.5 | 82.4 | 165.1 | -59.7 | 3.7 | 0 | 0 | 0 | 117.4 | ||||
| 778 | L | 28.2 | Very low | 27.9 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -125.2 | 121.4 | 135.3 | -78.4 | 179.8 | 0 | 0 | 0 | 109.2 | ||||
| 779 | L | 27.9 | Very low | 28.1 | Very low | 151 Ų | 151 | 130.9 Ų | 130.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -87.1 | 145.7 | 176.7 | -158 | 75.4 | 0 | 0 | 0 | 108 | ||||
| 780 | P | 28 | Very low | 28.1 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | -110.3 | 147.6 | 119.8 | -17 | 33.4 | 0 | 0 | 0 | 112.6 | |||||
| 781 | P | 29.2 | Very low | 28.1 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 72% | 0.721 | 79% | 0.785 | S | S | * | * | trans | -71 | 156.7 | -175.7 | 31.1 | -35.9 | 0 | 0 | 0 | 112 | ||||
| 782 | G | 26.1 | Very low | 28.1 | Very low | 78 Ų | 78 | 131.3 Ų | 131.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 168.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 783 | C | 26.4 | Very low | 28.2 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | trans | -139.7 | 159.4 | 166.9 | -136.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 784 | H | 27 | Very low | 28.3 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | trans | -69.4 | 150.6 | -174.9 | -67.3 | -111.5 | 0 | 0 | 0 | 112.8 | ||||
| 785 | G | 27.6 | Very low | 28.3 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | 168.1 | 110.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 786 | G | 27.3 | Very low | 28.5 | Very low | 65 Ų | 65 | 132.4 Ų | 132.4 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | trans | -140.8 | 166.8 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 787 | F | 28.3 | Very low | 29 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 91% | 0.912 | 80% | 0.796 | S | S | * | * | trans | 66.3 | 164.2 | 174 | -68 | -84.5 | 0 | 0 | 0 | 115.9 | ||||
| 788 | P | 30.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -118.2 | 171.8 | -1.2 | 37.7 | -23.8 | 0 | 0 | 0 | 115.3 | ||||
| 789 | K | 33.5 | Very low | 29.8 | Very low | 177 Ų | 177 | 133.1 Ų | 133.1 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | -81.2 | 154.5 | 159.2 | -64.8 | 177.6 | 179.2 | 176.4 | 0 | 110.1 | ||||
| 790 | P | 30.5 | Very low | 30.1 | Very low | 115 Ų | 115 | 131.3 Ų | 131.3 | 75% | 0.747 | 80% | 0.795 | S | S | * | * | -114.2 | 139.6 | 127.6 | 37.4 | -32 | 0 | 0 | 0 | 108.3 | |||||
| 791 | N | 27.3 | Very low | 30.2 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | cis | 57.7 | 120.8 | 46.2 | -61.7 | -5.5 | 0 | 0 | 0 | 111.5 | ||||
| 792 | G | 26.6 | Very low | 30.2 | Very low | 61 Ų | 61 | 140.8 Ų | 140.8 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | cis | 178.5 | -162.3 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 793 | H | 30.2 | Very low | 30.3 | Very low | 182 Ų | 182 | 143.8 Ų | 143.8 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | trans | 67.5 | 127.6 | -179.7 | -59.8 | -110.8 | 0 | 0 | 0 | 114 | ||||
| 794 | K | 28.1 | Very low | 30.5 | Very low | 203 Ų | 203 | 142.7 Ų | 142.7 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | cis | 101 | 105.8 | 30 | -81.8 | -170.3 | 173.6 | -175 | 0 | 112.4 | ||||
| 795 | G | 28.5 | Very low | 30.6 | Very low | 73 Ų | 73 | 138.3 Ų | 138.3 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | trans | 121.7 | 143.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 796 | P | 33.5 | Very low | 30.6 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | cis | -132.4 | 157.5 | -29.8 | 38 | -22.9 | 0 | 0 | 0 | 114.9 | ||||
| 797 | T | 37.9 | Very low | 30.6 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | trans | -80.7 | 167.7 | 164.6 | 52.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 798 | P | 31.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | -155.3 | 150 | 64.8 | 39.2 | -16.3 | 0 | 0 | 0 | 120.4 | |||||
| 799 | F | 39.5 | Very low | 30.4 | Very low | 207 Ų | 207 | 138.5 Ų | 138.5 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -89.2 | 152.3 | 138 | -100.6 | -85.6 | 0 | 0 | 0 | 108.4 | ||||
| 800 | P | 34.6 | Very low | 30 | Very low | 112 Ų | 112 | 141.6 Ų | 141.6 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | -147.9 | -178.5 | 121.3 | 34.1 | -17 | 0 | 0 | 0 | 115.6 | |||||
| 801 | R | 30.2 | Very low | 29.9 | Very low | 230 Ų | 230 | 142.1 Ų | 142.1 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | cis | 161.1 | 168 | -39.3 | -159.9 | 173.4 | -164.2 | -155.2 | 5.8 | 108.5 | ||||
| 802 | R | 27.9 | Very low | 29.8 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | 78.9 | 157.6 | 167.7 | -59 | -174.7 | 163.3 | -128.9 | 9.8 | 116.2 | ||||
| 803 | E | 30 | Very low | 29.8 | Very low | 142 Ų | 142 | 152.1 Ų | 152.1 | 66% | 0.664 | 80% | 0.804 | S | S | * | * | cis | -169.5 | 170.8 | -20.5 | -103 | 153.4 | -167.5 | 0 | 0 | 107.4 | ||||
| 804 | S | 29.4 | Very low | 29.7 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | cis | -176.9 | 161.4 | -34 | -177.5 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 805 | A | 29.4 | Very low | 29.6 | Very low | 104 Ų | 104 | 140.6 Ų | 140.6 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | 61.3 | 165.2 | 170 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 806 | G | 27.9 | Very low | 29.5 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | 122.5 | 58.5 | 160.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 807 | D | 27.1 | Very low | 29.3 | Very low | 147 Ų | 147 | 140 Ų | 140 | 79% | 0.786 | 74% | 0.741 | S | S | * | * | trans | 55.1 | 153.1 | 137.8 | -94.5 | -60 | 0 | 0 | 0 | 127.1 | ||||
| 808 | H | 28.3 | Very low | 28.9 | Very low | 169 Ų | 169 | 138 Ų | 138 | 78% | 0.782 | 73% | 0.725 | S | S | * | * | trans | 63.3 | 99 | 149.8 | -80.1 | 58 | 0 | 0 | 0 | 123.4 | ||||
| 809 | A | 25.9 | Very low | 28.8 | Very low | 86 Ų | 86 | 135.6 Ų | 135.6 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | 49.2 | 112.4 | 120 | 0 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 810 | R | 25.4 | Very low | 28.3 | Very low | 242 Ų | 242 | 131.5 Ų | 131.5 | 91% | 0.913 | 71% | 0.707 | S | S | * | * | trans | 61.7 | 148.6 | 137.4 | -92 | -175.5 | 172.2 | 177.2 | -1.5 | 121.7 | ||||
| 811 | T | 28.2 | Very low | 27.9 | Very low | 126 Ų | 126 | 132 Ų | 132 | 77% | 0.773 | 70% | 0.704 | S | S | * | * | trans | 85.3 | 134.7 | 151.4 | 13.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 812 | M | 24.8 | Very low | 27.6 | Very low | 181 Ų | 181 | 127.6 Ų | 127.6 | 89% | 0.892 | 70% | 0.696 | S | S | * | * | trans | 85.9 | 161.4 | 153 | -64.1 | -66.7 | -120.3 | 0 | 0 | 120.9 | ||||
| 813 | W | 26.1 | Very low | 27.5 | Very low | 240 Ų | 240 | 123.3 Ų | 123.3 | 91% | 0.909 | 69% | 0.692 | S | S | * | * | trans | -95.8 | 176.1 | -168.3 | -83.4 | 13.3 | 0 | 0 | 0 | 113.9 | ||||
| 814 | T | 29 | Very low | 27.2 | Very low | 112 Ų | 112 | 124.5 Ų | 124.5 | 69% | 0.687 | 69% | 0.692 | S | S | * | * | trans | 97.2 | 157 | 153.8 | 75.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 815 | G | 26.9 | Very low | 26.9 | Very low | 32 Ų | 32 | 122.8 Ų | 122.8 | 33% | 0.33 | 69% | 0.691 | S | S | . | * | trans | 83.9 | 100.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q1046 | G815-Q1046 PolarHBondContact O-NE2 3.42Š| ||
| 816 | S | 26.3 | Very low | 26.7 | Very low | 56 Ų | 56 | 124 Ų | 124 | 39% | 0.392 | 69% | 0.692 | S | S | . | * | 39.8 | 117.2 | 86.6 | -78.4 | 0 | 0 | 0 | 0 | 112.8 | Q1046 A1047 | S816-Q1046 WeakPolarHBondContact O-CA 3.16Å; S816-Q1046 WeakPolarHBondContact O-CB 3.37Å; S816-Q1046 WeakPolarHBondContact O-CG 3.29Å; S816-A1047 WeakPolarHBondContact O-CA 3.43Å; S816-A1047 PolarHBondContact O-N 2.84Å | |||
| 817 | K | 29.5 | Very low | 26.6 | Very low | 133 Ų | 133 | 126.1 Ų | 126.1 | 58% | 0.578 | 70% | 0.695 | S | S | * | * | 77.1 | 128.7 | 69.5 | -76.5 | -174.6 | 113.5 | -81 | 0 | 112.5 | Q1046 A1047 | K817-Q1046 CarbonylContact O-C 3.43Å; K817-Q1046 VanDerWaalsContact O-CA 3.27Å; K817-Q1046 WeakPolarHBondContact O-CA 3.25Å; K817-A1047 PolarHBondContact O-N 3.33Å | |||
| 818 | D | 28.4 | Very low | 26.6 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 48% | 0.481 | 69% | 0.69 | S | S | . | * | cis | -115.7 | -125.5 | -1.6 | -76.6 | -62.3 | 0 | 0 | 0 | 111.9 | ||||
| 819 | A | 29.2 | Very low | 26.5 | Very low | 65 Ų | 65 | 123 Ų | 123 | 54% | 0.537 | 69% | 0.692 | S | S | . | * | cis | -164.2 | 156.1 | -0.5 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 820 | V | 30.1 | Very low | 26.6 | Very low | 120 Ų | 120 | 122.6 Ų | 122.6 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | cis | -153.9 | -176.6 | -9.6 | -112.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 821 | N | 26 | Very low | 26.8 | Very low | 124 Ų | 124 | 118.6 Ų | 118.6 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | S | Bend | cis | -160 | 153.4 | 25.9 | -117 | -10 | 0 | 0 | 0 | 106.8 | ||
| 822 | L | 24.8 | Very low | 27 | Very low | 136 Ų | 136 | 116.8 Ų | 116.8 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | cis | -140.9 | 112.6 | -1.4 | -88.8 | 159.5 | 0 | 0 | 0 | 107.1 | ||||
| 823 | T | 24.6 | Very low | 27.2 | Very low | 105 Ų | 105 | 117.7 Ų | 117.7 | 64% | 0.644 | 68% | 0.679 | S | S | * | * | 72.7 | 111.9 | 94.6 | 58.5 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 824 | Y | 23.8 | Very low | 27.1 | Very low | 167 Ų | 167 | 115.7 Ų | 115.7 | 66% | 0.655 | 67% | 0.671 | S | S | * | * | -67.2 | 140 | 126.3 | -95.5 | -104.3 | 0 | 0 | 0 | 108.5 | A847 G848 | Y824-A847 HydrophobicContact CE2-CB 3.78Å; Y824-A847 WeakPolarHBondContact OH-CB 3.02Å; Y824-A847 PolarHBondContact OH-O 3.39Å; Y824-G848 WeakPolarHBondContact OH-CA 3.38Å; Y824-G848 PolarHBondContact OH-N 3.22Å; Y824-G848 VanDerWaalsContact OH-N 3.16Å | |||
| 825 | G | 24 | Very low | 27 | Very low | 72 Ų | 72 | 116.8 Ų | 116.8 | 74% | 0.742 | 67% | 0.672 | S | S | * | * | trans | 173.5 | 119.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 826 | C | 25.2 | Very low | 27 | Very low | 128 Ų | 128 | 122 Ų | 122 | 87% | 0.865 | 69% | 0.692 | S | S | * | * | trans | -92.9 | 149.3 | 177.4 | -61.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 827 | S | 25.1 | Very low | 27.4 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 116.9 | 138.8 | 140 | -62.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 828 | S | 26.2 | Very low | 27.7 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 67% | 0.671 | 71% | 0.714 | S | S | * | * | trans | 69.6 | 103.7 | 163.2 | -82.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 829 | D | 26.6 | Very low | 27.7 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | 69.1 | 114.9 | 121.8 | -45.2 | -39 | 0 | 0 | 0 | 118.8 | |||||
| 830 | G | 28.7 | Very low | 27.7 | Very low | 79 Ų | 79 | 130.1 Ų | 130.1 | 81% | 0.814 | 73% | 0.73 | S | S | * | * | trans | 157.3 | 44.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 831 | D | 29.9 | Very low | 27.4 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -54.6 | 156 | 158.5 | -86.1 | -56.8 | 0 | 0 | 0 | 110.6 | ||||
| 832 | P | 32.7 | Very low | 27.4 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 57% | 0.571 | 74% | 0.742 | S | S | * | * | cis | -150.1 | 174.8 | 29 | 46.8 | -29 | 0 | 0 | 0 | 118.8 | ||||
| 833 | Y | 27.8 | Very low | 27.5 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 78% | 0.784 | 74% | 0.739 | S | S | * | * | trans | 67.6 | 144.1 | 143.4 | -65.7 | -31.1 | 0 | 0 | 0 | 121.6 | ||||
| 834 | R | 25.1 | Very low | 27.6 | Very low | 198 Ų | 198 | 135.8 Ų | 135.8 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | cis | -175.4 | 156.9 | -14.3 | -167.6 | -179.7 | 173.9 | 172.4 | -2.9 | 110 | ||||
| 835 | L | 25.5 | Very low | 27.7 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 70% | 0.702 | 75% | 0.754 | S | S | * | * | trans | 66.5 | 142.1 | 172.3 | -58.7 | 109.7 | 0 | 0 | 0 | 117.5 | ||||
| 836 | D | 27.4 | Very low | 27.9 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 76% | 0.756 | S | S | * | * | cis | -159.6 | 172 | -29.6 | -111.6 | -38.3 | 0 | 0 | 0 | 111.9 | ||||
| 837 | L | 34.7 | Very low | 28 | Very low | 126 Ų | 126 | 136.9 Ų | 136.9 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | trans | -93.8 | 171.2 | -175.3 | -121.2 | 72.9 | 0 | 0 | 0 | 113.5 | Q839 | L837-Q839 HydrophobicContact CD2-CB 4.34Å; L837-Q839 HydrophobicContact CD2-CG 3.73Å | ||
| 838 | P | 35.3 | Very low | 28.1 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | -141.2 | 154.6 | 55.8 | 38.5 | -18.5 | 0 | 0 | 0 | 115.9 | |||||
| 839 | Q | 29.9 | Very low | 28.1 | Very low | 142 Ų | 142 | 135.7 Ų | 135.7 | 66% | 0.664 | 73% | 0.725 | S | S | * | * | 56.8 | 134.5 | 66.3 | -82.1 | -170.9 | -97 | 0 | 0 | 115.9 | L837 | L837-Q839 HydrophobicContact CD2-CB 4.34Å; L837-Q839 HydrophobicContact CD2-CG 3.73Å | |||
| 840 | D | 27.5 | Very low | 28.3 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 68% | 0.684 | 72% | 0.722 | S | S | * | * | cis | -137.7 | 120.8 | 12.8 | -100.6 | -41 | 0 | 0 | 0 | 114.7 | ||||
| 841 | Q | 25.3 | Very low | 28.5 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 70% | 0.704 | S | S | * | * | trans | -173.3 | 162.5 | 138.7 | -111.4 | -175.9 | 59.5 | 0 | 0 | 112.6 | ||||
| 842 | W | 26 | Very low | 28.7 | Very low | 229 Ų | 229 | 136.7 Ų | 136.7 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | 71.5 | 109 | 171.1 | -60.3 | -43.1 | 0 | 0 | 0 | 121 | ||||
| 843 | A | 26.8 | Very low | 29.2 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 65% | 0.653 | 69% | 0.693 | S | S | * | * | 75.5 | 137.7 | 119.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 844 | N | 26.5 | Very low | 30.1 | Very low | 131 Ų | 131 | 131.7 Ų | 131.7 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | 58.8 | 94.1 | 152.7 | -57.9 | -7.1 | 0 | 0 | 0 | 118 | ||||
| 845 | Q | 25.6 | Very low | 30.8 | Very low | 199 Ų | 199 | 129.7 Ų | 129.7 | 93% | 0.93 | 68% | 0.675 | S | S | * | * | trans | -108.3 | 145.5 | 142.5 | -78.3 | -169.7 | -5.2 | 0 | 0 | 110.5 | ||||
| 846 | T | 27.5 | Very low | 32.1 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 66% | 0.659 | S | S | * | * | trans | -116 | 135.8 | -171.1 | 47.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 847 | A | 27.7 | Very low | 33.3 | Very low | 64 Ų | 64 | 126.5 Ų | 126.5 | 53% | 0.529 | 65% | 0.65 | S | S | . | * | trans | 65.3 | 128.7 | 156.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | Y824 | Y824-A847 HydrophobicContact CE2-CB 3.78Å; Y824-A847 WeakPolarHBondContact OH-CB 3.02Å; Y824-A847 PolarHBondContact OH-O 3.39Å | ||
| 848 | G | 27.3 | Very low | 34.1 | Very low | 33 Ų | 33 | 129.6 Ų | 129.6 | 34% | 0.34 | 65% | 0.653 | S | S | . | * | trans | 164.2 | 87.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y824 Y850 | Y824-G848 WeakPolarHBondContact OH-CA 3.38Å; Y824-G848 PolarHBondContact OH-N 3.22Å; Y824-G848 VanDerWaalsContact OH-N 3.16Å; G848-Y850 WeakPolarHBondContact O-CD2 3.41Å; G848-Y850 WeakPolarHBondContact O-CE2 3.3Å; G848-Y850 PolarHBondContact O-N 2.74Å; G848-Y850 VanDerWaalsContact O-N 3.09Å | ||
| 849 | D | 25.8 | Very low | 34.7 | Very low | 155 Ų | 155 | 129.4 Ų | 129.4 | 83% | 0.829 | 64% | 0.643 | S | S | * | * | trans | 22.5 | 70.9 | 168 | -64.2 | -16.8 | 0 | 0 | 0 | 117 | D851 | D849-D851 PolarHBondContact O-N 3.04Š| ||
| 850 | Y | 31.6 | Very low | 36.1 | Very low | 195 Ų | 195 | 126.9 Ų | 126.9 | 77% | 0.765 | 63% | 0.631 | S | S | * | * | trans | -74.8 | 87.4 | -177.5 | -70.9 | -71 | 0 | 0 | 0 | 112.6 | G848 L852 | G848-Y850 WeakPolarHBondContact O-CD2 3.41Å; G848-Y850 WeakPolarHBondContact O-CE2 3.3Å; G848-Y850 PolarHBondContact O-N 2.74Å; G848-Y850 VanDerWaalsContact O-N 3.09Å; Y850-L852 PolarHBondContact O-N 2.91Å | ||
| 851 | D | 31.6 | Very low | 37.8 | Very low | 81 Ų | 81 | 123.7 Ų | 123.7 | 43% | 0.433 | 61% | 0.614 | S | S | . | * | trans | -45.2 | 121.3 | 178 | 173.9 | 26.7 | 0 | 0 | 0 | 114 | D849 T853 L854 | D849-D851 PolarHBondContact O-N 3.04Å; D851-T853 PolarHBondContact O-N 3.47Å; D851-T853 WeakPolarHBondContact OD1-CB 3.18Å; D851-T853 PolarHBondContact OD1-N 2.98Å; D851-T853 PolarHBondContact OD1-OG1 3.15Å; D851-T853 WeakPolarHBondContact OD2-CB 3.33Å; D851-T853 PolarHBondContact OD2-OG1 3.06Å; D851-L854 PolarHBondContact O-N 2.9Å; D851-L854 VanDerWaalsContact O-N 3.12Å; D851-L854 PolarHBondContact OD2-N 3.42Å | ||
| 852 | L | 35.3 | Very low | 39.2 | Very low | 135 Ų | 135 | 125.3 Ų | 125.3 | 71% | 0.707 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -58.8 | -28.4 | 176.2 | -141.5 | 77.1 | 0 | 0 | 0 | 111.8 | Y850 L854 Y855 V856 | Y850-L852 PolarHBondContact O-N 2.91Å; L852-L854 VanDerWaalsContact C-N 3.35Å; L852-L854 PolarHBondContact O-N 3.5Å; L852-Y855 PolarHBondContact O-N 3.39Å; L852-V856 WeakPolarHBondContact O-CB 3.47Å; L852-V856 WeakPolarHBondContact O-CG2 3.5Å; L852-V856 PolarHBondContact O-N 3.24Å |
| 853 | T | 43.6 | Very low | 40.5 | Very low | 78 Ų | 78 | 121.3 Ų | 121.3 | 48% | 0.479 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -67 | -33.6 | 179.1 | -35.3 | 0 | 0 | 0 | 0 | 112 | D851 R857 | D851-T853 PolarHBondContact O-N 3.47Å; D851-T853 WeakPolarHBondContact OD1-CB 3.18Å; D851-T853 PolarHBondContact OD1-N 2.98Å; D851-T853 PolarHBondContact OD1-OG1 3.15Å; D851-T853 WeakPolarHBondContact OD2-CB 3.33Å; D851-T853 PolarHBondContact OD2-OG1 3.06Å; T853-R857 WeakPolarHBondContact O-CB 3.21Å; T853-R857 PolarHBondContact O-N 3.05Å |
| 854 | L | 46.2 | Very low | 42.4 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 56% | 0.555 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.2 | -35.3 | 175.6 | -103.6 | 168.3 | 0 | 0 | 0 | 112.5 | D851 L852 R858 | D851-L854 PolarHBondContact O-N 2.9Å; D851-L854 VanDerWaalsContact O-N 3.12Å; D851-L854 PolarHBondContact OD2-N 3.42Å; L852-L854 VanDerWaalsContact C-N 3.35Å; L852-L854 PolarHBondContact O-N 3.5Å; L854-R858 PolarHBondContact O-N 3.24Å |
| 855 | Y | 40.5 | Very low | 44.2 | Very low | 155 Ų | 155 | 124.1 Ų | 124.1 | 61% | 0.608 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -67.5 | -45.1 | 171.3 | -176.9 | -100.1 | 0 | 0 | 0 | 111.4 | L852 R857 R858 M859 | L852-Y855 PolarHBondContact O-N 3.39Å; Y855-R857 VanDerWaalsContact C-N 3.34Å; Y855-R857 PolarHBondContact O-N 3.19Å; Y855-R858 PolarHBondContact O-N 3.35Å; Y855-M859 HydrophobicContact CD1-CG 4.35Å; Y855-M859 HydrophobicContact CE1-CG 3.98Å; Y855-M859 WeakPolarHBondContact O-CB 3.35Å; Y855-M859 WeakPolarHBondContact O-CG 3.19Å; Y855-M859 PolarHBondContact O-N 2.89Å |
| 856 | V | 52.4 | Low | 45.6 | Very low | 57 Ų | 57 | 116.7 Ų | 116.7 | 35% | 0.345 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -38.7 | 174.7 | 170.6 | 0 | 0 | 0 | 0 | 111.4 | L852 M859 Q860 | L852-V856 WeakPolarHBondContact O-CB 3.47Å; L852-V856 WeakPolarHBondContact O-CG2 3.5Å; L852-V856 PolarHBondContact O-N 3.24Å; V856-M859 PolarHBondContact O-N 3.03Å; V856-Q860 HydrophobicContact CG1-CG 4.32Å; V856-Q860 WeakPolarHBondContact O-CB 3.27Å; V856-Q860 WeakPolarHBondContact O-CG 3.33Å; V856-Q860 PolarHBondContact O-N 3.07Å |
| 857 | R | 52.6 | Low | 47.5 | Very low | 153 Ų | 153 | 114.1 Ų | 114.1 | 58% | 0.577 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.7 | -53.3 | 171.8 | -94.7 | -179 | 164 | 142.2 | -4.6 | 111.8 | T853 Y855 M859 Q860 D861 | T853-R857 WeakPolarHBondContact O-CB 3.21Å; T853-R857 PolarHBondContact O-N 3.05Å; Y855-R857 VanDerWaalsContact C-N 3.34Å; Y855-R857 PolarHBondContact O-N 3.19Å; R857-M859 PolarHBondContact O-N 3.27Å; R857-Q860 CarbonylContact O-C 3.53Å; R857-Q860 PolarHBondContact O-N 2.57Å; R857-D861 WeakPolarHBondContact O-CB 3.44Å; R857-D861 PolarHBondContact O-N 3.09Å; R857-D861 VanDerWaalsContact O-OD2 3.11Å |
| 858 | R | 50.3 | Low | 49.3 | Very low | 191 Ų | 191 | 113.5 Ų | 113.5 | 72% | 0.721 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -57.2 | -35 | 176.8 | -78 | -175.7 | 175.6 | 167.4 | 0.7 | 113.3 | L854 Y855 R862 | L854-R858 PolarHBondContact O-N 3.24Å; Y855-R858 PolarHBondContact O-N 3.35Å; R858-R862 WeakPolarHBondContact O-CB 3.48Å; R858-R862 PolarHBondContact O-N 3.43Å |
| 859 | M | 47.8 | Very low | 50.9 | Low | 115 Ų | 115 | 114.5 Ų | 114.5 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.8 | -46.5 | 172 | -77.7 | -79.5 | -83.6 | 0 | 0 | 112.3 | Y855 V856 R857 D861 F863 | Y855-M859 HydrophobicContact CD1-CG 4.35Å; Y855-M859 HydrophobicContact CE1-CG 3.98Å; Y855-M859 WeakPolarHBondContact O-CB 3.35Å; Y855-M859 WeakPolarHBondContact O-CG 3.19Å; Y855-M859 PolarHBondContact O-N 2.89Å; V856-M859 PolarHBondContact O-N 3.03Å; R857-M859 PolarHBondContact O-N 3.27Å; M859-D861 VanDerWaalsContact C-N 3.31Å; M859-D861 PolarHBondContact O-N 3.27Å; M859-F863 VanDerWaalsContact O-CB 3.22Å; M859-F863 WeakPolarHBondContact O-CB 3.2Å; M859-F863 PolarHBondContact O-N 2.75Å |
| 860 | Q | 59.9 | Low | 52.4 | Low | 89 Ų | 89 | 109.6 Ų | 109.6 | 42% | 0.416 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -32.9 | 176.4 | -76.4 | -173.8 | -42 | 0 | 0 | 113 | V856 R857 F863 R864 | V856-Q860 HydrophobicContact CG1-CG 4.32Å; V856-Q860 WeakPolarHBondContact O-CB 3.27Å; V856-Q860 WeakPolarHBondContact O-CG 3.33Å; V856-Q860 PolarHBondContact O-N 3.07Å; R857-Q860 CarbonylContact O-C 3.53Å; R857-Q860 PolarHBondContact O-N 2.57Å; Q860-F863 PolarHBondContact O-N 2.95Å; Q860-R864 WeakPolarHBondContact O-CB 3.29Å; Q860-R864 PolarHBondContact O-N 2.88Å |
| 861 | D | 64.2 | Low | 53.8 | Low | 61 Ų | 61 | 104.5 Ų | 104.5 | 33% | 0.326 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -81.4 | -38.9 | -177.7 | -63.8 | -32.1 | 0 | 0 | 0 | 110.6 | R857 M859 F863 R864 E865 | R857-D861 WeakPolarHBondContact O-CB 3.44Å; R857-D861 PolarHBondContact O-N 3.09Å; R857-D861 VanDerWaalsContact O-OD2 3.11Å; M859-D861 VanDerWaalsContact C-N 3.31Å; M859-D861 PolarHBondContact O-N 3.27Å; D861-F863 VanDerWaalsContact C-N 3.3Å; D861-F863 PolarHBondContact O-N 3.44Å; D861-R864 CarbonylContact O-C 3.58Å; D861-R864 WeakPolarHBondContact O-CA 3.29Å; D861-R864 WeakPolarHBondContact O-CB 3.18Å; D861-R864 PolarHBondContact O-N 3.45Å; D861-R864 VanDerWaalsContact O-N 3.17Å; D861-R864 IonicContact OD1-CZ 2.75Å; D861-R864 IonicContact OD1-NE 2.67Å; D861-R864 PolarHBondContact OD1-NE 2.82Å; D861-R864 VanDerWaalsContact OD1-NE 3.17Å; D861-R864 IonicContact OD1-NH2 2.78Å; D861-R864 PolarHBondContact OD1-NH2 2.98Å; D861-E865 WeakPolarHBondContact O-CG 3.41Å; D861-E865 PolarHBondContact O-N 3.02Å |
| 862 | R | 54.7 | Low | 55.4 | Low | 198 Ų | 198 | 103.9 Ų | 103.9 | 75% | 0.747 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -31.7 | 165 | -77.6 | -158.5 | 170.4 | -163.5 | -0.9 | 113.4 | R858 E865 G866 | R858-R862 WeakPolarHBondContact O-CB 3.48Å; R858-R862 PolarHBondContact O-N 3.43Å; R862-E865 PolarHBondContact O-N 2.94Å; R862-G866 PolarHBondContact O-N 2.89Å |
| 863 | F | 52.2 | Low | 56.2 | Low | 146 Ų | 146 | 101.9 Ų | 101.9 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.7 | -35.1 | 172.2 | -168.6 | -106.7 | 0 | 0 | 0 | 111.4 | M859 Q860 D861 I867 | M859-F863 VanDerWaalsContact O-CB 3.22Å; M859-F863 WeakPolarHBondContact O-CB 3.2Å; M859-F863 PolarHBondContact O-N 2.75Å; Q860-F863 PolarHBondContact O-N 2.95Å; D861-F863 VanDerWaalsContact C-N 3.3Å; D861-F863 PolarHBondContact O-N 3.44Å; F863-I867 HydrophobicContact CD1-CD1 3.78Å; F863-I867 HydrophobicContact CE1-CD1 3.43Å; F863-I867 VanDerWaalsContact CE1-CD1 3.43Å; F863-I867 HydrophobicContact CE1-CG1 4.43Å; F863-I867 HydrophobicContact CZ-CD1 3.96Å; F863-I867 WeakPolarHBondContact O-CB 3.43Å; F863-I867 WeakPolarHBondContact O-CG1 3.1Å; F863-I867 PolarHBondContact O-N 2.75Å |
| 864 | R | 66.7 | Low | 56.3 | Low | 145 Ų | 145 | 103.9 Ų | 103.9 | 55% | 0.547 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -41.5 | 169.3 | -104.6 | -173.7 | -73.2 | -104 | -0.3 | 112.5 | Q860 D861 I867 A868 | Q860-R864 WeakPolarHBondContact O-CB 3.29Å; Q860-R864 PolarHBondContact O-N 2.88Å; D861-R864 CarbonylContact O-C 3.58Å; D861-R864 WeakPolarHBondContact O-CA 3.29Å; D861-R864 WeakPolarHBondContact O-CB 3.18Å; D861-R864 PolarHBondContact O-N 3.45Å; D861-R864 VanDerWaalsContact O-N 3.17Å; D861-R864 IonicContact OD1-CZ 2.75Å; D861-R864 IonicContact OD1-NE 2.67Å; D861-R864 PolarHBondContact OD1-NE 2.82Å; D861-R864 VanDerWaalsContact OD1-NE 3.17Å; D861-R864 IonicContact OD1-NH2 2.78Å; D861-R864 PolarHBondContact OD1-NH2 2.98Å; R864-I867 PolarHBondContact O-N 3.26Å; R864-A868 WeakPolarHBondContact O-CB 3.21Å; R864-A868 PolarHBondContact O-N 3.01Å |
| 865 | E | 65 | Low | 56.4 | Low | 123 Ų | 123 | 106.8 Ų | 106.8 | 58% | 0.575 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 173.4 | -72.8 | 169.6 | 164.9 | 0 | 0 | 110.8 | D861 R862 A868 A869 | D861-E865 WeakPolarHBondContact O-CG 3.41Å; D861-E865 PolarHBondContact O-N 3.02Å; R862-E865 PolarHBondContact O-N 2.94Å; E865-A868 PolarHBondContact O-N 3.46Å; E865-A869 VanDerWaalsContact O-CB 3.29Å; E865-A869 WeakPolarHBondContact O-CB 3.37Å; E865-A869 PolarHBondContact O-N 3.4Å |
| 866 | G | 54.4 | Low | 57 | Low | 43 Ų | 43 | 106.7 Ų | 106.7 | 44% | 0.443 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R862 A870 | R862-G866 PolarHBondContact O-N 2.89Å; G866-A870 WeakPolarHBondContact O-CB 3.29Å; G866-A870 PolarHBondContact O-N 3.2Å |
| 867 | I | 67.7 | Low | 56.7 | Low | 73 Ų | 73 | 108 Ų | 108 | 37% | 0.374 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.9 | -38.8 | 173.6 | -73.3 | 174.4 | 0 | 0 | 0 | 111.3 | F863 R864 A870 Q871 | F863-I867 HydrophobicContact CD1-CD1 3.78Å; F863-I867 HydrophobicContact CE1-CD1 3.43Å; F863-I867 VanDerWaalsContact CE1-CD1 3.43Å; F863-I867 HydrophobicContact CE1-CG1 4.43Å; F863-I867 HydrophobicContact CZ-CD1 3.96Å; F863-I867 WeakPolarHBondContact O-CB 3.43Å; F863-I867 WeakPolarHBondContact O-CG1 3.1Å; F863-I867 PolarHBondContact O-N 2.75Å; R864-I867 PolarHBondContact O-N 3.26Å; I867-A870 PolarHBondContact O-N 3.04Å; I867-Q871 HydrophobicContact CG2-CG 4.26Å; I867-Q871 VanDerWaalsContact O-CB 3.31Å; I867-Q871 WeakPolarHBondContact O-CB 3.4Å; I867-Q871 VanDerWaalsContact O-CG 3.27Å; I867-Q871 WeakPolarHBondContact O-CG 3.22Å; I867-Q871 PolarHBondContact O-N 3.22Å |
| 868 | A | 65.5 | Low | 55.9 | Low | 51 Ų | 51 | 107.3 Ų | 107.3 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | R864 E865 Q871 D872 | R864-A868 WeakPolarHBondContact O-CB 3.21Å; R864-A868 PolarHBondContact O-N 3.01Å; E865-A868 PolarHBondContact O-N 3.46Å; A868-Q871 CarbonylContact O-C 3.45Å; A868-Q871 PolarHBondContact O-N 3.28Å; A868-D872 WeakPolarHBondContact O-CB 3.16Å; A868-D872 PolarHBondContact O-N 3.4Å |
| 869 | A | 61.9 | Low | 55.1 | Low | 55 Ų | 55 | 103.7 Ų | 103.7 | 46% | 0.455 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.1 | -43.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E865 Q871 D872 V873 | E865-A869 VanDerWaalsContact O-CB 3.29Å; E865-A869 WeakPolarHBondContact O-CB 3.37Å; E865-A869 PolarHBondContact O-N 3.4Å; A869-Q871 PolarHBondContact O-N 2.96Å; A869-D872 PolarHBondContact O-N 2.88Å; A869-V873 WeakPolarHBondContact O-CB 3.48Å; A869-V873 WeakPolarHBondContact O-CG2 3.32Å; A869-V873 PolarHBondContact O-N 2.98Å |
| 870 | A | 55.3 | Low | 54.7 | Low | 52 Ų | 52 | 105.7 Ų | 105.7 | 43% | 0.43 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.2 | -40 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | G866 I867 L874 | G866-A870 WeakPolarHBondContact O-CB 3.29Å; G866-A870 PolarHBondContact O-N 3.2Å; I867-A870 PolarHBondContact O-N 3.04Å; A870-L874 WeakPolarHBondContact O-CB 3.38Å; A870-L874 WeakPolarHBondContact O-CD1 3.36Å; A870-L874 VanDerWaalsContact O-CG 3.29Å; A870-L874 WeakPolarHBondContact O-CG 3.47Å; A870-L874 PolarHBondContact O-N 2.89Å |
| 871 | Q | 61.4 | Low | 53.7 | Low | 88 Ų | 88 | 110.2 Ų | 110.2 | 41% | 0.411 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -71.1 | -31.5 | 174.9 | -75.5 | -176.1 | 6.3 | 0 | 0 | 113.1 | I867 A868 A869 L874 R875 | I867-Q871 HydrophobicContact CG2-CG 4.26Å; I867-Q871 VanDerWaalsContact O-CB 3.31Å; I867-Q871 WeakPolarHBondContact O-CB 3.4Å; I867-Q871 VanDerWaalsContact O-CG 3.27Å; I867-Q871 WeakPolarHBondContact O-CG 3.22Å; I867-Q871 PolarHBondContact O-N 3.22Å; A868-Q871 CarbonylContact O-C 3.45Å; A868-Q871 PolarHBondContact O-N 3.28Å; A869-Q871 PolarHBondContact O-N 2.96Å; Q871-L874 PolarHBondContact O-N 3.01Å; Q871-R875 WeakPolarHBondContact O-CB 3.23Å; Q871-R875 VanDerWaalsContact O-CG 3.3Å; Q871-R875 WeakPolarHBondContact O-CG 3.47Å; Q871-R875 PolarHBondContact O-N 2.74Å |
| 872 | D | 65 | Low | 52.3 | Low | 67 Ų | 67 | 115 Ų | 115 | 36% | 0.358 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.2 | -39.7 | 176 | -176.8 | 54 | 0 | 0 | 0 | 110.8 | A868 A869 L874 R875 K876 | A868-D872 WeakPolarHBondContact O-CB 3.16Å; A868-D872 PolarHBondContact O-N 3.4Å; A869-D872 PolarHBondContact O-N 2.88Å; D872-L874 VanDerWaalsContact C-N 3.34Å; D872-L874 PolarHBondContact O-N 3.45Å; D872-R875 PolarHBondContact O-N 2.98Å; D872-K876 VanDerWaalsContact CG-NZ 3.34Å; D872-K876 VanDerWaalsContact O-CB 3.27Å; D872-K876 WeakPolarHBondContact O-CB 3.41Å; D872-K876 VanDerWaalsContact O-CG 3.26Å; D872-K876 WeakPolarHBondContact O-CG 3.49Å; D872-K876 PolarHBondContact O-N 2.84Å; D872-K876 WeakPolarHBondContact OD1-CE 3.44Å; D872-K876 IonicContact OD1-NZ 3.17Å; D872-K876 PolarHBondContact OD1-NZ 2.91Å; D872-K876 WeakPolarHBondContact OD2-CE 3.48Å; D872-K876 IonicContact OD2-NZ 2.65Å; D872-K876 PolarHBondContact OD2-NZ 2.67Å |
| 873 | V | 53 | Low | 51.3 | Low | 94 Ų | 94 | 111.4 Ų | 111.4 | 57% | 0.57 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.6 | -41.6 | 167.5 | 170.5 | 0 | 0 | 0 | 0 | 111.3 | A869 K876 T877 | A869-V873 WeakPolarHBondContact O-CB 3.48Å; A869-V873 WeakPolarHBondContact O-CG2 3.32Å; A869-V873 PolarHBondContact O-N 2.98Å; V873-K876 PolarHBondContact O-N 2.97Å; V873-T877 WeakPolarHBondContact O-CG2 3.38Å; V873-T877 PolarHBondContact O-N 3.02Å; V873-T877 PolarHBondContact O-OG1 2.86Å |
| 874 | L | 46.5 | Very low | 50.4 | Low | 120 Ų | 120 | 110 Ų | 110 | 63% | 0.628 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70 | -34 | 176.2 | -76.2 | 165.3 | 0 | 0 | 0 | 113.5 | A870 Q871 D872 T877 | A870-L874 WeakPolarHBondContact O-CB 3.38Å; A870-L874 WeakPolarHBondContact O-CD1 3.36Å; A870-L874 VanDerWaalsContact O-CG 3.29Å; A870-L874 WeakPolarHBondContact O-CG 3.47Å; A870-L874 PolarHBondContact O-N 2.89Å; Q871-L874 PolarHBondContact O-N 3.01Å; D872-L874 VanDerWaalsContact C-N 3.34Å; D872-L874 PolarHBondContact O-N 3.45Å; L874-T877 WeakPolarHBondContact CA-OG1 3.33Å; L874-T877 PolarHBondContact O-N 3.39Å; L874-T877 PolarHBondContact O-OG1 2.99Å |
| 875 | R | 48.1 | Very low | 48.8 | Very low | 166 Ų | 166 | 109.2 Ų | 109.2 | 63% | 0.626 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71 | -37.3 | 172.4 | -76.5 | -178.8 | -171.8 | 102.6 | 4.6 | 111.9 | Q871 D872 T877 | Q871-R875 WeakPolarHBondContact O-CB 3.23Å; Q871-R875 VanDerWaalsContact O-CG 3.3Å; Q871-R875 WeakPolarHBondContact O-CG 3.47Å; Q871-R875 PolarHBondContact O-N 2.74Å; D872-R875 PolarHBondContact O-N 2.98Å; R875-T877 PolarHBondContact O-N 2.79Å |
| 876 | K | 52.8 | Low | 47.3 | Very low | 153 Ų | 153 | 111.2 Ų | 111.2 | 67% | 0.665 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -2.6 | 176.8 | -72.7 | 168.4 | 178.4 | 168.7 | 0 | 114 | D872 V873 | D872-K876 VanDerWaalsContact CG-NZ 3.34Å; D872-K876 VanDerWaalsContact O-CB 3.27Å; D872-K876 WeakPolarHBondContact O-CB 3.41Å; D872-K876 VanDerWaalsContact O-CG 3.26Å; D872-K876 WeakPolarHBondContact O-CG 3.49Å; D872-K876 PolarHBondContact O-N 2.84Å; D872-K876 WeakPolarHBondContact OD1-CE 3.44Å; D872-K876 IonicContact OD1-NZ 3.17Å; D872-K876 PolarHBondContact OD1-NZ 2.91Å; D872-K876 WeakPolarHBondContact OD2-CE 3.48Å; D872-K876 IonicContact OD2-NZ 2.65Å; D872-K876 PolarHBondContact OD2-NZ 2.67Å; V873-K876 PolarHBondContact O-N 2.97Å |
| 877 | T | 46.5 | Very low | 46.3 | Very low | 85 Ų | 85 | 111.8 Ų | 111.8 | 52% | 0.521 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -115.8 | 4.2 | 179.8 | 46 | 0 | 0 | 0 | 0 | 114.7 | V873 L874 R875 | V873-T877 WeakPolarHBondContact O-CG2 3.38Å; V873-T877 PolarHBondContact O-N 3.02Å; V873-T877 PolarHBondContact O-OG1 2.86Å; L874-T877 WeakPolarHBondContact CA-OG1 3.33Å; L874-T877 PolarHBondContact O-N 3.39Å; L874-T877 PolarHBondContact O-OG1 2.99Å; R875-T877 PolarHBondContact O-N 2.79Å |
| 878 | N | 35.7 | Very low | 44.5 | Very low | 138 Ų | 138 | 116.2 Ų | 116.2 | 74% | 0.738 | 66% | 0.658 | S | S | * | * | trans | -151.4 | 104.9 | 168.6 | -96.2 | -58.4 | 0 | 0 | 0 | 112.5 | ||||
| 879 | P | 33.5 | Very low | 43.2 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 75% | 0.747 | 68% | 0.675 | S | S | * | * | trans | -97.5 | 111.6 | 167.9 | 33.4 | -25.5 | 0 | 0 | 0 | 111.1 | ||||
| 880 | L | 39.7 | Very low | 41.9 | Very low | 158 Ų | 158 | 125.5 Ų | 125.5 | 83% | 0.827 | 69% | 0.685 | S | S | * | * | trans | 178.9 | 124.5 | 147.2 | -98.2 | 156.2 | 0 | 0 | 0 | 112.6 | ||||
| 881 | E | 38.9 | Very low | 41.1 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 86% | 0.86 | 70% | 0.703 | S | S | * | * | trans | 67.8 | 138.5 | 157 | -49.3 | -157.8 | 141.1 | 0 | 0 | 122.6 | ||||
| 882 | D | 33.7 | Very low | 39.9 | Very low | 161 Ų | 161 | 131.6 Ų | 131.6 | 86% | 0.861 | 72% | 0.718 | S | S | * | * | trans | -105.4 | 136 | -177.6 | -69.1 | -79.1 | 0 | 0 | 0 | 112.7 | ||||
| 883 | S | 34.6 | Very low | 38.7 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -164.1 | 137.2 | 145.8 | -89.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 884 | P | 33.4 | Very low | 38.1 | Very low | 118 Ų | 118 | 138.7 Ų | 138.7 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -99.6 | 176.1 | -174.3 | 36.8 | -34.3 | 0 | 0 | 0 | 115.5 | ||||
| 885 | V | 32.3 | Very low | 37.9 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 78% | 0.776 | 73% | 0.725 | S | S | * | * | trans | 83.1 | 141.7 | 162.9 | -145.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 886 | I | 33.5 | Very low | 37.7 | Very low | 165 Ų | 165 | 130.4 Ų | 130.4 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | trans | 78.2 | 110.5 | 167.1 | -42.5 | -177.8 | 0 | 0 | 0 | 117.5 | ||||
| 887 | G | 33 | Very low | 37.5 | Very low | 54 Ų | 54 | 130.2 Ų | 130.2 | 56% | 0.557 | 72% | 0.716 | S | S | * | * | trans | 128 | 66 | 138.9 | 0 | 0 | 0 | 0 | 0 | 119 | N889 | G887-N889 PolarHBondContact O-N 2.58Š| ||
| 888 | D | 30.7 | Very low | 37.5 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | 91.7 | 167.9 | -72.8 | -54.3 | 0 | 0 | 0 | 112.2 | ||
| 889 | N | 37.9 | Very low | 37.9 | Very low | 146 Ų | 146 | 134 Ų | 134 | 78% | 0.781 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.7 | -20.1 | 156.9 | -100.8 | -55 | 0 | 0 | 0 | 112.8 | G887 M891 | G887-N889 PolarHBondContact O-N 2.58Å; N889-M891 PolarHBondContact O-N 3.28Å |
| 890 | F | 34.8 | Very low | 38.8 | Very low | 154 Ų | 154 | 130.9 Ų | 130.9 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -74.9 | -24.7 | -168 | -106.7 | -96 | 0 | 0 | 0 | 116.1 | R894 | F890-R894 WeakPolarHBondContact O-CB 3.47Å; F890-R894 PolarHBondContact O-N 2.75Å |
| 891 | M | 37.7 | Very low | 39.6 | Very low | 164 Ų | 164 | 127.8 Ų | 127.8 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -71.5 | -37 | -171.4 | -65.5 | -145.6 | 80.3 | 0 | 0 | 114.2 | N889 R894 A895 | N889-M891 PolarHBondContact O-N 3.28Å; M891-R894 PolarHBondContact O-N 2.76Å; M891-A895 VanDerWaalsContact O-CB 3.27Å; M891-A895 WeakPolarHBondContact O-CB 3.37Å; M891-A895 PolarHBondContact O-N 3.44Å |
| 892 | S | 37.4 | Very low | 40.6 | Very low | 104 Ų | 104 | 122.8 Ų | 122.8 | 73% | 0.727 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -67.8 | -36.9 | 179 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | A896 | S892-A896 WeakPolarHBondContact O-CB 3.4Å; S892-A896 PolarHBondContact O-N 2.81Å; S892-A896 VanDerWaalsContact O-N 3.11Å |
| 893 | Q | 39.7 | Very low | 41.6 | Very low | 120 Ų | 120 | 123.3 Ų | 123.3 | 56% | 0.561 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -71.6 | -44.2 | 171.9 | -88.1 | -177.8 | -26.6 | 0 | 0 | 111.6 | A895 A896 Y897 | Q893-A895 VanDerWaalsContact C-N 3.3Å; Q893-A895 PolarHBondContact O-N 3.47Å; Q893-A896 PolarHBondContact O-N 2.76Å; Q893-A896 VanDerWaalsContact O-N 3.12Å; Q893-Y897 HydrophobicContact CB-CD2 4.45Å; Q893-Y897 VanDerWaalsContact O-CD2 3.22Å; Q893-Y897 WeakPolarHBondContact O-CD2 3.44Å; Q893-Y897 PolarHBondContact O-N 3.45Å |
| 894 | R | 40.6 | Very low | 42.8 | Very low | 191 Ų | 191 | 122.5 Ų | 122.5 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.6 | -33.2 | -179.9 | -155.2 | 170.4 | -170.4 | 172.6 | 1 | 112.3 | F890 M891 F898 | F890-R894 WeakPolarHBondContact O-CB 3.47Å; F890-R894 PolarHBondContact O-N 2.75Å; M891-R894 PolarHBondContact O-N 2.76Å; R894-F898 VanDerWaalsContact O-CB 3.26Å; R894-F898 WeakPolarHBondContact O-CB 3.27Å; R894-F898 PolarHBondContact O-N 2.87Å |
| 895 | A | 41.1 | Very low | 44.3 | Very low | 51 Ų | 51 | 120.5 Ų | 120.5 | 42% | 0.421 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.7 | -41.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | M891 Q893 F898 F899 | M891-A895 VanDerWaalsContact O-CB 3.27Å; M891-A895 WeakPolarHBondContact O-CB 3.37Å; M891-A895 PolarHBondContact O-N 3.44Å; Q893-A895 VanDerWaalsContact C-N 3.3Å; Q893-A895 PolarHBondContact O-N 3.47Å; A895-F898 PolarHBondContact O-N 2.79Å; A895-F899 WeakPolarHBondContact O-CB 3.5Å; A895-F899 WeakPolarHBondContact O-CD2 3.33Å; A895-F899 PolarHBondContact O-N 2.93Å |
| 896 | A | 43.7 | Very low | 45.1 | Very low | 61 Ų | 61 | 118.3 Ų | 118.3 | 50% | 0.504 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -63.9 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S892 Q893 A900 | S892-A896 WeakPolarHBondContact O-CB 3.4Å; S892-A896 PolarHBondContact O-N 2.81Å; S892-A896 VanDerWaalsContact O-N 3.11Å; Q893-A896 PolarHBondContact O-N 2.76Å; Q893-A896 VanDerWaalsContact O-N 3.12Å; A896-A900 VanDerWaalsContact O-CB 3.28Å; A896-A900 WeakPolarHBondContact O-CB 3.33Å; A896-A900 PolarHBondContact O-N 3.29Å |
| 897 | Y | 49.5 | Very low | 46 | Very low | 149 Ų | 149 | 112.8 Ų | 112.8 | 58% | 0.584 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68 | -42.3 | 173.5 | -78.6 | -68 | 0 | 0 | 0 | 112.2 | Q893 F899 A900 D901 | Q893-Y897 HydrophobicContact CB-CD2 4.45Å; Q893-Y897 VanDerWaalsContact O-CD2 3.22Å; Q893-Y897 WeakPolarHBondContact O-CD2 3.44Å; Q893-Y897 PolarHBondContact O-N 3.45Å; Y897-F899 VanDerWaalsContact C-N 3.33Å; Y897-F899 PolarHBondContact O-N 2.81Å; Y897-A900 CarbonylContact O-C 3.53Å; Y897-A900 PolarHBondContact O-N 3.33Å; Y897-A900 VanDerWaalsContact O-N 3.12Å; Y897-D901 WeakPolarHBondContact O-CB 3.39Å; Y897-D901 PolarHBondContact O-N 3.46Å |
| 898 | F | 46.3 | Very low | 47 | Very low | 146 Ų | 146 | 115.4 Ų | 115.4 | 64% | 0.64 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -66.2 | -34.6 | 177.9 | -154 | -89.2 | 0 | 0 | 0 | 112.3 | R894 A895 L902 | R894-F898 VanDerWaalsContact O-CB 3.26Å; R894-F898 WeakPolarHBondContact O-CB 3.27Å; R894-F898 PolarHBondContact O-N 2.87Å; A895-F898 PolarHBondContact O-N 2.79Å; F898-L902 WeakPolarHBondContact O-CB 3.39Å; F898-L902 PolarHBondContact O-N 3.47Å |
| 899 | F | 43.7 | Very low | 47.6 | Very low | 155 Ų | 155 | 113.1 Ų | 113.1 | 68% | 0.68 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73 | -32.3 | 170.1 | -92 | -77.8 | 0 | 0 | 0 | 113.1 | A895 Y897 W903 | A895-F899 WeakPolarHBondContact O-CB 3.5Å; A895-F899 WeakPolarHBondContact O-CD2 3.33Å; A895-F899 PolarHBondContact O-N 2.93Å; Y897-F899 VanDerWaalsContact C-N 3.33Å; Y897-F899 PolarHBondContact O-N 2.81Å; F899-W903 WeakPolarHBondContact O-CB 3.43Å; F899-W903 PolarHBondContact O-N 2.96Å |
| 900 | A | 53 | Low | 47.6 | Very low | 50 Ų | 50 | 112.1 Ų | 112.1 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.1 | -46.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A896 Y897 W903 E904 | A896-A900 VanDerWaalsContact O-CB 3.28Å; A896-A900 WeakPolarHBondContact O-CB 3.33Å; A896-A900 PolarHBondContact O-N 3.29Å; Y897-A900 CarbonylContact O-C 3.53Å; Y897-A900 PolarHBondContact O-N 3.33Å; Y897-A900 VanDerWaalsContact O-N 3.12Å; A900-W903 PolarHBondContact O-N 2.93Å; A900-E904 WeakPolarHBondContact O-CB 3.5Å; A900-E904 PolarHBondContact O-N 2.87Å |
| 901 | D | 55.7 | Low | 48 | Very low | 93 Ų | 93 | 107 Ų | 107 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.3 | -39.7 | 176.9 | -71.4 | -20.1 | 0 | 0 | 0 | 111.5 | Y897 E904 T905 | Y897-D901 WeakPolarHBondContact O-CB 3.39Å; Y897-D901 PolarHBondContact O-N 3.46Å; D901-E904 PolarHBondContact O-N 3.27Å; D901-T905 VanDerWaalsContact O-CB 3.23Å; D901-T905 WeakPolarHBondContact O-CB 3.37Å; D901-T905 PolarHBondContact O-N 3.49Å; D901-T905 PolarHBondContact O-OG1 3.29Å |
| 902 | L | 60.7 | Low | 48.1 | Very low | 79 Ų | 79 | 104 Ų | 104 | 41% | 0.414 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | 174.7 | -171.7 | 69.2 | 0 | 0 | 0 | 111.4 | F898 T905 I906 | F898-L902 WeakPolarHBondContact O-CB 3.39Å; F898-L902 PolarHBondContact O-N 3.47Å; L902-T905 PolarHBondContact O-N 3.34Å; L902-I906 HydrophobicContact CD1-CD1 4.42Å; L902-I906 HydrophobicContact CG-CD1 4.04Å; L902-I906 WeakPolarHBondContact O-CB 3.35Å; L902-I906 VanDerWaalsContact O-CG1 3.25Å; L902-I906 WeakPolarHBondContact O-CG1 3.48Å; L902-I906 PolarHBondContact O-N 2.7Å |
| 903 | W | 54.1 | Low | 48.1 | Very low | 172 Ų | 172 | 107.1 Ų | 107.1 | 65% | 0.652 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -73.1 | -37.3 | 174.3 | -170.9 | -92.6 | 0 | 0 | 0 | 112.2 | F899 A900 T905 A907 | F899-W903 WeakPolarHBondContact O-CB 3.43Å; F899-W903 PolarHBondContact O-N 2.96Å; A900-W903 PolarHBondContact O-N 2.93Å; W903-T905 VanDerWaalsContact C-N 3.35Å; W903-A907 WeakPolarHBondContact O-CB 3.34Å; W903-A907 PolarHBondContact O-N 3.28Å |
| 904 | E | 59.6 | Low | 47.9 | Very low | 105 Ų | 105 | 108.8 Ų | 108.8 | 49% | 0.491 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 169.1 | -94.8 | -154.5 | -168.7 | 0 | 0 | 111.6 | A900 D901 A907 K908 | A900-E904 WeakPolarHBondContact O-CB 3.5Å; A900-E904 PolarHBondContact O-N 2.87Å; D901-E904 PolarHBondContact O-N 3.27Å; E904-A907 PolarHBondContact O-N 2.92Å; E904-K908 WeakPolarHBondContact O-CB 3.48Å; E904-K908 WeakPolarHBondContact O-CD 3.31Å; E904-K908 WeakPolarHBondContact O-CG 3.44Å; E904-K908 PolarHBondContact O-N 3.19Å; E904-K908 WeakPolarHBondContact OE2-CE 3.3Å; E904-K908 IonicContact OE2-NZ 2.76Å; E904-K908 PolarHBondContact OE2-NZ 2.89Å |
| 905 | T | 65.1 | Low | 47.4 | Very low | 77 Ų | 77 | 104.2 Ų | 104.2 | 47% | 0.472 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -68.7 | -45.9 | 177.6 | -57.7 | 0 | 0 | 0 | 0 | 110.3 | D901 L902 W903 A907 K908 E909 | D901-T905 VanDerWaalsContact O-CB 3.23Å; D901-T905 WeakPolarHBondContact O-CB 3.37Å; D901-T905 PolarHBondContact O-N 3.49Å; D901-T905 PolarHBondContact O-OG1 3.29Å; L902-T905 PolarHBondContact O-N 3.34Å; W903-T905 VanDerWaalsContact C-N 3.35Å; T905-A907 VanDerWaalsContact C-N 3.33Å; T905-A907 PolarHBondContact O-N 2.86Å; T905-K908 PolarHBondContact O-N 3.38Å; T905-E909 WeakPolarHBondContact O-CB 3.46Å; T905-E909 PolarHBondContact O-N 3.08Å |
| 906 | I | 49.8 | Very low | 46.9 | Very low | 82 Ų | 82 | 109.5 Ų | 109.5 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.7 | -35.9 | 174.6 | -69.4 | 167.5 | 0 | 0 | 0 | 111.2 | L902 L910 | L902-I906 HydrophobicContact CD1-CD1 4.42Å; L902-I906 HydrophobicContact CG-CD1 4.04Å; L902-I906 WeakPolarHBondContact O-CB 3.35Å; L902-I906 VanDerWaalsContact O-CG1 3.25Å; L902-I906 WeakPolarHBondContact O-CG1 3.48Å; L902-I906 PolarHBondContact O-N 2.7Å; I906-L910 HydrophobicContact CG2-CD1 3.86Å; I906-L910 HydrophobicContact CG2-CG 4.48Å; I906-L910 VanDerWaalsContact O-CB 3.29Å; I906-L910 WeakPolarHBondContact O-CB 3.41Å; I906-L910 WeakPolarHBondContact O-CG 3.21Å; I906-L910 PolarHBondContact O-N 3.08Å |
| 907 | A | 52 | Low | 46.2 | Very low | 49 Ų | 49 | 112.4 Ų | 112.4 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -69.3 | -40.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W903 E904 T905 L910 S911 | W903-A907 WeakPolarHBondContact O-CB 3.34Å; W903-A907 PolarHBondContact O-N 3.28Å; E904-A907 PolarHBondContact O-N 2.92Å; T905-A907 VanDerWaalsContact C-N 3.33Å; T905-A907 PolarHBondContact O-N 2.86Å; A907-L910 PolarHBondContact O-N 2.91Å; A907-S911 WeakPolarHBondContact O-CB 3.1Å; A907-S911 PolarHBondContact O-N 3.35Å |
| 908 | K | 53.1 | Low | 45.3 | Very low | 109 Ų | 109 | 110.4 Ų | 110.4 | 47% | 0.474 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -45.2 | 173.5 | -77.5 | 164 | -175 | 162.7 | 0 | 110.7 | E904 T905 L910 S911 N912 | E904-K908 WeakPolarHBondContact O-CB 3.48Å; E904-K908 WeakPolarHBondContact O-CD 3.31Å; E904-K908 WeakPolarHBondContact O-CG 3.44Å; E904-K908 PolarHBondContact O-N 3.19Å; E904-K908 WeakPolarHBondContact OE2-CE 3.3Å; E904-K908 IonicContact OE2-NZ 2.76Å; E904-K908 PolarHBondContact OE2-NZ 2.89Å; T905-K908 PolarHBondContact O-N 3.38Å; K908-L910 VanDerWaalsContact C-N 3.32Å; K908-L910 PolarHBondContact O-N 3.37Å; K908-S911 CarbonylContact O-C 3.38Å; K908-S911 WeakPolarHBondContact O-CB 3.14Å; K908-S911 PolarHBondContact O-N 2.94Å; K908-N912 VanDerWaalsContact O-CB 3.27Å; K908-N912 WeakPolarHBondContact O-CB 3.49Å; K908-N912 PolarHBondContact O-N 3.4Å; K908-N912 PolarHBondContact O-ND2 3.36Å; K908-N912 PolarHBondContact O-OD1 3.14Å |
| 909 | E | 44.2 | Very low | 44.5 | Very low | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.7 | -37.4 | 178.1 | -141.2 | 70.4 | 162 | 0 | 0 | 112 | T905 S911 N912 H913 | T905-E909 WeakPolarHBondContact O-CB 3.46Å; T905-E909 PolarHBondContact O-N 3.08Å; E909-S911 VanDerWaalsContact C-N 3.32Å; E909-S911 PolarHBondContact O-N 3.39Å; E909-N912 PolarHBondContact OE2-ND2 2.97Å; E909-H913 WeakPolarHBondContact O-CB 3.29Å; E909-H913 PolarHBondContact O-N 3.47Å |
| 910 | L | 38.9 | Very low | 43.9 | Very low | 124 Ų | 124 | 110 Ų | 110 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75 | -15.5 | 172.8 | -69 | 171.7 | 0 | 0 | 0 | 114.3 | I906 A907 K908 | I906-L910 HydrophobicContact CG2-CD1 3.86Å; I906-L910 HydrophobicContact CG2-CG 4.48Å; I906-L910 VanDerWaalsContact O-CB 3.29Å; I906-L910 WeakPolarHBondContact O-CB 3.41Å; I906-L910 WeakPolarHBondContact O-CG 3.21Å; I906-L910 PolarHBondContact O-N 3.08Å; A907-L910 PolarHBondContact O-N 2.91Å; K908-L910 VanDerWaalsContact C-N 3.32Å; K908-L910 PolarHBondContact O-N 3.37Å |
| 911 | S | 42.5 | Very low | 42.8 | Very low | 47 Ų | 47 | 113.1 Ų | 113.1 | 33% | 0.329 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -86.3 | -50.3 | 171.3 | -146.6 | 0 | 0 | 0 | 0 | 110.3 | A907 K908 E909 H913 L914 E915 | A907-S911 WeakPolarHBondContact O-CB 3.1Å; A907-S911 PolarHBondContact O-N 3.35Å; K908-S911 CarbonylContact O-C 3.38Å; K908-S911 WeakPolarHBondContact O-CB 3.14Å; K908-S911 PolarHBondContact O-N 2.94Å; E909-S911 VanDerWaalsContact C-N 3.32Å; E909-S911 PolarHBondContact O-N 3.39Å; S911-H913 PolarHBondContact O-N 3.05Å; S911-L914 CarbonylContact O-C 3.41Å; S911-L914 WeakPolarHBondContact O-CA 3.42Å; S911-L914 PolarHBondContact O-N 3.01Å; S911-E915 WeakPolarHBondContact CB-OE2 3.23Å; S911-E915 WeakPolarHBondContact O-CB 3.28Å; S911-E915 WeakPolarHBondContact O-CG 3.1Å; S911-E915 PolarHBondContact O-N 2.82Å; S911-E915 VanDerWaalsContact OG-CD 3.3Å; S911-E915 PolarHBondContact OG-OE2 3.4Å |
| 912 | N | 38.8 | Very low | 41.7 | Very low | 101 Ų | 101 | 114.5 Ų | 114.5 | 54% | 0.54 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -52.4 | -41.2 | 174.8 | -66.1 | -20 | 0 | 0 | 0 | 111.4 | K908 E909 L914 | K908-N912 VanDerWaalsContact O-CB 3.27Å; K908-N912 WeakPolarHBondContact O-CB 3.49Å; K908-N912 PolarHBondContact O-N 3.4Å; K908-N912 PolarHBondContact O-ND2 3.36Å; K908-N912 PolarHBondContact O-OD1 3.14Å; E909-N912 PolarHBondContact OE2-ND2 2.97Å; N912-L914 PolarHBondContact O-N 3.44Å |
| 913 | H | 37.7 | Very low | 40.1 | Very low | 170 Ų | 170 | 113.9 Ų | 113.9 | 79% | 0.787 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 4.9 | 177.5 | -128.7 | -53.5 | 0 | 0 | 0 | 114.9 | E909 S911 | E909-H913 WeakPolarHBondContact O-CB 3.29Å; E909-H913 PolarHBondContact O-N 3.47Å; S911-H913 PolarHBondContact O-N 3.05Å |
| 914 | L | 35.1 | Very low | 39 | Very low | 154 Ų | 154 | 110.5 Ų | 110.5 | 81% | 0.806 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131 | -3 | 179.9 | -147.7 | 74.9 | 0 | 0 | 0 | 114 | S911 N912 | S911-L914 CarbonylContact O-C 3.41Å; S911-L914 WeakPolarHBondContact O-CA 3.42Å; S911-L914 PolarHBondContact O-N 3.01Å; N912-L914 PolarHBondContact O-N 3.44Å |
| 915 | E | 31.9 | Very low | 37.6 | Very low | 96 Ų | 96 | 109.9 Ų | 109.9 | 45% | 0.449 | 66% | 0.657 | S | S | . | * | trans | -108.8 | 12.2 | -174.8 | -74.2 | -178.1 | 120.4 | 0 | 0 | 114.9 | S911 S917 T918 | S911-E915 WeakPolarHBondContact CB-OE2 3.23Å; S911-E915 WeakPolarHBondContact O-CB 3.28Å; S911-E915 WeakPolarHBondContact O-CG 3.1Å; S911-E915 PolarHBondContact O-N 2.82Å; S911-E915 VanDerWaalsContact OG-CD 3.3Å; S911-E915 PolarHBondContact OG-OE2 3.4Å; E915-S917 PolarHBondContact O-N 2.9Å; E915-T918 PolarHBondContact O-N 3.45Å; E915-T918 PolarHBondContact O-OG1 3.13Å | ||
| 916 | D | 30 | Very low | 36 | Very low | 162 Ų | 162 | 114.2 Ų | 114.2 | 87% | 0.866 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | 41.3 | 169 | -119.3 | -4.4 | 0 | 0 | 0 | 112.9 | ||
| 917 | S | 29.1 | Very low | 35 | Very low | 122 Ų | 122 | 117 Ų | 117 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.4 | 30 | 169.5 | -80.5 | 0 | 0 | 0 | 0 | 113 | E915 | E915-S917 PolarHBondContact O-N 2.9Š|
| 918 | T | 29.6 | Very low | 34 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 65% | 0.65 | 70% | 0.7 | S | S | * | * | trans | -122.5 | 102.5 | 168.9 | 57.4 | 0 | 0 | 0 | 0 | 112.2 | E915 | E915-T918 PolarHBondContact O-N 3.45Å; E915-T918 PolarHBondContact O-OG1 3.13Å | ||
| 919 | S | 30.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 119.9 Ų | 119.9 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | trans | -132.2 | 128.8 | 167 | 55.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 920 | L | 30.6 | Very low | 32.5 | Very low | 182 Ų | 182 | 121.6 Ų | 121.6 | 95% | 0.953 | 72% | 0.721 | S | S | * | * | trans | 72.3 | 148.8 | 173.3 | -51.7 | 177 | 0 | 0 | 0 | 116.8 | ||||
| 921 | S | 29 | Very low | 32.1 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 81% | 0.811 | 72% | 0.723 | S | S | * | * | trans | -155.5 | -179.2 | -160.3 | -176.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 922 | S | 32.8 | Very low | 31.6 | Very low | 123 Ų | 123 | 124.2 Ų | 124.2 | 86% | 0.86 | 74% | 0.738 | S | S | * | * | trans | 69.2 | 149.4 | -170.1 | 78 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 923 | G | 28.7 | Very low | 31.4 | Very low | 66 Ų | 66 | 124.4 Ų | 124.4 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | cis | 161.9 | 155.7 | -6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 924 | A | 30.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 123.5 Ų | 123.5 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | 60.7 | 161.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 925 | S | 28.7 | Very low | 31.2 | Very low | 91 Ų | 91 | 122.8 Ų | 122.8 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | 171 | 143.3 | -56 | 49.6 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 926 | E | 32 | Very low | 31.1 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 72.4 | 154.1 | 155.4 | -70.5 | 175.3 | 154.9 | 0 | 0 | 120.4 | ||||
| 927 | N | 29.3 | Very low | 31.1 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 65.3 | 106.3 | 170.5 | -51.1 | -22.6 | 0 | 0 | 0 | 115.8 | ||||
| 928 | A | 31.7 | Very low | 31.1 | Very low | 80 Ų | 80 | 124 Ų | 124 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | cis | 81.7 | 164.2 | 46.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 929 | D | 33 | Very low | 31 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | trans | 70.4 | 141.4 | 172.1 | -49.6 | -33.5 | 0 | 0 | 0 | 114.9 | ||||
| 930 | E | 32.7 | Very low | 30.8 | Very low | 155 Ų | 155 | 122.8 Ų | 122.8 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | cis | -157.2 | 171.9 | -2.6 | -127.1 | 179.7 | 168.6 | 0 | 0 | 111.6 | ||||
| 931 | I | 30.5 | Very low | 30.8 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 70% | 0.703 | 73% | 0.731 | S | S | * | * | trans | 26 | 129 | 138.9 | -68.3 | 165.1 | 0 | 0 | 0 | 117.5 | ||||
| 932 | S | 32 | Very low | 30.7 | Very low | 90 Ų | 90 | 120 Ų | 120 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | -165 | 156.1 | 60.2 | -153.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 933 | T | 34.9 | Very low | 30.7 | Very low | 105 Ų | 105 | 122.4 Ų | 122.4 | 64% | 0.644 | 73% | 0.726 | S | S | * | * | trans | 23.5 | 127.9 | 145.3 | 55 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 934 | D | 32.5 | Very low | 30.7 | Very low | 151 Ų | 151 | 122.3 Ų | 122.3 | 81% | 0.807 | 73% | 0.726 | S | S | * | * | 72.6 | 159.8 | 55.7 | -65.8 | -54 | 0 | 0 | 0 | 114.7 | |||||
| 935 | D | 35.6 | Very low | 30.9 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | trans | 65.9 | 107.2 | -174.7 | -64.5 | -23.5 | 0 | 0 | 0 | 116 | ||||
| 936 | L | 29.6 | Very low | 31.2 | Very low | 148 Ų | 148 | 128 Ų | 128 | 78% | 0.775 | 73% | 0.734 | S | S | * | * | 89.3 | 153.1 | 56.8 | -79.6 | -177.4 | 0 | 0 | 0 | 112.8 | |||||
| 937 | T | 30.6 | Very low | 31.2 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | trans | 72.2 | 125.8 | 178.3 | 85.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 938 | N | 27.7 | Very low | 31.6 | Very low | 144 Ų | 144 | 123.7 Ų | 123.7 | 77% | 0.77 | 73% | 0.729 | S | S | * | * | 72.9 | 136.2 | 89.4 | -61.7 | -9.2 | 0 | 0 | 0 | 112.5 | |||||
| 939 | S | 27.7 | Very low | 31.8 | Very low | 92 Ų | 92 | 126.6 Ų | 126.6 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -170 | 176 | -4.6 | -107.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 940 | S | 27.7 | Very low | 31.7 | Very low | 98 Ų | 98 | 126.7 Ų | 126.7 | 69% | 0.685 | 73% | 0.734 | S | S | * | * | trans | 74.8 | 148.2 | 139.3 | -84.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 941 | L | 29.3 | Very low | 31.6 | Very low | 149 Ų | 149 | 123.1 Ų | 123.1 | 78% | 0.78 | 73% | 0.731 | S | S | * | * | trans | 54.5 | 95.5 | 141.6 | -58.7 | 166.7 | 0 | 0 | 0 | 116.3 | ||||
| 942 | S | 26.6 | Very low | 31.4 | Very low | 92 Ų | 92 | 125 Ų | 125 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | 77.3 | 117.3 | 65 | 76 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 943 | D | 34.6 | Very low | 31.2 | Very low | 173 Ų | 173 | 126 Ų | 126 | 93% | 0.925 | 74% | 0.736 | S | S | * | * | trans | -141.8 | 162 | 133.6 | -88.7 | -45.3 | 0 | 0 | 0 | 104.7 | ||||
| 944 | G | 28.6 | Very low | 30.8 | Very low | 64 Ų | 64 | 128.6 Ų | 128.6 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | cis | 139.6 | 113.3 | 19 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 945 | Q | 34.6 | Very low | 30.5 | Very low | 195 Ų | 195 | 127 Ų | 127 | 91% | 0.911 | 74% | 0.737 | S | S | * | * | trans | -50.8 | 149.5 | -175.3 | -63.8 | 175.2 | -102.8 | 0 | 0 | 111.7 | ||||
| 946 | P | 34 | Very low | 30.1 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | -159.6 | -172 | 74.1 | 44.3 | -22.4 | 0 | 0 | 0 | 119 | |||||
| 947 | T | 32.7 | Very low | 29.9 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | trans | -28.4 | 158.2 | 159.3 | 54.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 948 | S | 37.5 | Very low | 29.7 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 64% | 0.643 | 73% | 0.733 | S | S | * | * | -166.3 | 149 | 52.3 | 59.4 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 949 | N | 35.7 | Very low | 29.7 | Very low | 142 Ų | 142 | 122.7 Ų | 122.7 | 76% | 0.759 | 73% | 0.729 | S | S | * | * | trans | 59.2 | 125.5 | 155 | -48.5 | -1.1 | 0 | 0 | 0 | 117.1 | ||||
| 950 | D | 31.6 | Very low | 29.7 | Very low | 139 Ų | 139 | 123.9 Ų | 123.9 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | cis | -164.6 | 170.6 | -0.8 | -121.2 | -81.1 | 0 | 0 | 0 | 107.2 | ||||
| 951 | A | 29.6 | Very low | 29.7 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 66% | 0.661 | 74% | 0.735 | S | S | * | * | cis | -148.2 | 166.5 | 10.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 952 | K | 26.9 | Very low | 29.8 | Very low | 176 Ų | 176 | 122.6 Ų | 122.6 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | trans | 7.5 | 111.1 | 141.1 | -144 | 169.6 | -176.1 | -176.2 | 0 | 117.2 | ||||
| 953 | V | 27.3 | Very low | 30 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 67% | 0.673 | 73% | 0.725 | S | S | * | * | 81.8 | 139.4 | 64.5 | 167 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 954 | E | 26 | Very low | 29.7 | Very low | 160 Ų | 160 | 123.6 Ų | 123.6 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | 75.5 | 151.8 | 164.3 | -81.8 | 153.1 | -176.2 | 0 | 0 | 120.7 | ||||
| 955 | T | 26.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 72% | 0.718 | 72% | 0.719 | S | S | * | * | trans | 22.3 | 111.9 | 150.2 | 57 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 956 | S | 26.3 | Very low | 29.6 | Very low | 103 Ų | 103 | 126.9 Ų | 126.9 | 72% | 0.72 | 71% | 0.71 | S | S | * | * | 65.6 | 85.2 | 77.8 | 78.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 957 | D | 25.9 | Very low | 29.7 | Very low | 161 Ų | 161 | 127.1 Ų | 127.1 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | trans | -172.2 | 174.2 | 156.9 | -95.8 | -22.5 | 0 | 0 | 0 | 105.3 | ||||
| 958 | S | 26.4 | Very low | 29.5 | Very low | 80 Ų | 80 | 125.2 Ų | 125.2 | 56% | 0.559 | 71% | 0.706 | S | S | * | * | cis | 178.6 | 160.9 | -44.8 | 65.9 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 959 | T | 27.6 | Very low | 29.4 | Very low | 111 Ų | 111 | 128.4 Ų | 128.4 | 68% | 0.681 | 71% | 0.714 | S | S | * | * | trans | 50.8 | 118.4 | 147.4 | 54.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 960 | T | 28.6 | Very low | 29.3 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 72% | 0.718 | 71% | 0.71 | S | S | * | * | 73.8 | 124.1 | 123.9 | 66 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 961 | D | 28.2 | Very low | 29.5 | Very low | 139 Ų | 139 | 127.8 Ų | 127.8 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | 102.1 | 147 | 121.7 | -111 | -60.3 | 0 | 0 | 0 | 123.9 | |||||
| 962 | S | 29.6 | Very low | 29.6 | Very low | 80 Ų | 80 | 131.4 Ų | 131.4 | 56% | 0.559 | 71% | 0.71 | S | S | * | * | trans | 60.9 | 112.2 | 139.8 | -78.9 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 963 | K | 30.6 | Very low | 30.1 | Very low | 150 Ų | 150 | 129.4 Ų | 129.4 | 65% | 0.652 | 70% | 0.703 | S | S | * | * | 82 | 117.1 | 114.9 | -75.7 | 174.1 | 153.9 | -77.8 | 0 | 119.9 | |||||
| 964 | E | 29.2 | Very low | 30.4 | Very low | 136 Ų | 136 | 131.4 Ų | 131.4 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | 82.9 | 140.9 | 118.1 | -72.8 | 163.2 | 178.3 | 0 | 0 | 121.6 | |||||
| 965 | E | 30.9 | Very low | 30.7 | Very low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 71% | 0.705 | S | S | * | * | trans | 69.2 | 129.1 | 152.3 | -70.1 | -173.5 | 116.7 | 0 | 0 | 119.8 | ||||
| 966 | Q | 31.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 72% | 0.72 | 71% | 0.708 | S | S | * | * | cis | 114.9 | 156.2 | 24.2 | -176.4 | 72.4 | 8.1 | 0 | 0 | 108.3 | ||||
| 967 | T | 34.7 | Very low | 30.9 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | 73.3 | 114.5 | -173.8 | 73.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 968 | A | 29.9 | Very low | 31 | Very low | 88 Ų | 88 | 127.2 Ų | 127.2 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | cis | 81.1 | 166.8 | 30.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 969 | I | 34.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 81% | 0.81 | 71% | 0.711 | S | S | * | * | trans | 81.2 | 123.9 | -176 | -53.7 | 168.8 | 0 | 0 | 0 | 112.7 | ||||
| 970 | D | 33.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 130.7 Ų | 130.7 | 67% | 0.668 | 71% | 0.71 | S | S | * | * | cis | -164.7 | 179.4 | -18.4 | -149.3 | -4 | 0 | 0 | 0 | 113.2 | ||||
| 971 | Q | 35.3 | Very low | 31.1 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 71% | 0.712 | S | S | * | * | trans | 70.1 | 94.7 | 147.1 | -78.2 | 158.8 | 61.3 | 0 | 0 | 121.7 | ||||
| 972 | Q | 31.7 | Very low | 30.9 | Very low | 156 Ų | 156 | 131.9 Ų | 131.9 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | 64.6 | 111.3 | 105 | -165.3 | -171.4 | -49 | 0 | 0 | 119.6 | |||||
| 973 | H | 38 | Very low | 30.9 | Very low | 135 Ų | 135 | 137.6 Ų | 137.6 | 63% | 0.625 | 72% | 0.721 | S | S | * | * | -165.5 | 126.4 | 110.3 | -116.7 | -106.8 | 0 | 0 | 0 | 115.4 | |||||
| 974 | Q | 33.9 | Very low | 30.7 | Very low | 153 Ų | 153 | 133.5 Ų | 133.5 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | trans | 69.3 | 132.8 | 141.8 | -85.9 | 177.3 | 6.6 | 0 | 0 | 125.3 | ||||
| 975 | L | 31.1 | Very low | 30.5 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | trans | 83.8 | 89.6 | 144.2 | -66.3 | 170.2 | 0 | 0 | 0 | 121.5 | ||||
| 976 | V | 30.4 | Very low | 30.1 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | 73 | 130.5 | 121.1 | 167.2 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 977 | S | 27.1 | Very low | 30.1 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | cis | -165.9 | 169 | -24.2 | 67.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 978 | A | 29.3 | Very low | 29.6 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 70% | 0.702 | 73% | 0.731 | S | S | * | * | trans | 64 | 146.2 | 155.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 979 | I | 27.9 | Very low | 29.4 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 84% | 0.836 | 73% | 0.734 | S | S | * | * | cis | -158.1 | 156.1 | -33.3 | -123.3 | 152.4 | 0 | 0 | 0 | 106.8 | ||||
| 980 | P | 29.8 | Very low | 29 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 66% | 0.656 | 73% | 0.731 | S | S | * | * | trans | -103.5 | 144.9 | -150.4 | 37 | -34.9 | 0 | 0 | 0 | 116.5 | ||||
| 981 | A | 25.3 | Very low | 28.6 | Very low | 91 Ų | 91 | 133.5 Ų | 133.5 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | 62.5 | -175.2 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 982 | R | 24.7 | Very low | 28.3 | Very low | 191 Ų | 191 | 135.3 Ų | 135.3 | 72% | 0.721 | 75% | 0.747 | S | S | * | * | trans | 72.2 | 162.7 | 166.6 | -51.3 | 174.6 | 176.6 | -173.5 | 1.5 | 117.2 | ||||
| 983 | Y | 28.9 | Very low | 28.1 | Very low | 200 Ų | 200 | 133.5 Ų | 133.5 | 78% | 0.784 | 75% | 0.747 | S | S | * | * | trans | 67.9 | 144.4 | 166.7 | -45.4 | -65.6 | 0 | 0 | 0 | 116.9 | ||||
| 984 | G | 26.8 | Very low | 27.8 | Very low | 64 Ų | 64 | 136 Ų | 136 | 66% | 0.66 | 76% | 0.759 | S | S | * | * | cis | 175.5 | 118 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 985 | L | 25.1 | Very low | 27.4 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 0.1 | 124.2 | 140.8 | -59.4 | 165.4 | 0 | 0 | 0 | 117.2 | ||||
| 986 | S | 23 | Very low | 27.2 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 69.7 | 146 | 152.7 | -61.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 987 | P | 32.2 | Very low | 27 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 92% | 0.922 | 77% | 0.769 | S | S | * | * | -128 | 67.7 | 120.5 | 38.1 | -33.4 | 0 | 0 | 0 | 112.7 | |||||
| 988 | S | 23.4 | Very low | 27 | Very low | 97 Ų | 97 | 142.3 Ų | 142.3 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | trans | -89.4 | 109.1 | 142.4 | 162.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 989 | L | 26.2 | Very low | 27.2 | Very low | 151 Ų | 151 | 146.9 Ų | 146.9 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | trans | 179.6 | 99 | 148.1 | -99.6 | 164.7 | 0 | 0 | 0 | 113 | ||||
| 990 | K | 24.6 | Very low | 27.2 | Very low | 171 Ų | 171 | 147.8 Ų | 147.8 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 20.9 | 113.9 | 136.9 | -57.6 | 171.3 | -175.3 | 173.7 | 0 | 118.1 | K992 | K990-K992 PolarHBondContact O-N 3.38Š| ||
| 991 | P | 26.7 | Very low | 27.6 | Very low | 138 Ų | 138 | 147.5 Ų | 147.5 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -71.8 | 112.5 | 153.2 | 30.2 | -30.8 | 0 | 0 | 0 | 109.5 | ||||
| 992 | K | 27.8 | Very low | 27.9 | Very low | 180 Ų | 180 | 148.5 Ų | 148.5 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -116.5 | 101.8 | 166.9 | -109.2 | -161.9 | 174.8 | -165 | 0 | 110.7 | K990 | K990-K992 PolarHBondContact O-N 3.38Š| ||
| 993 | T | 28.3 | Very low | 28.1 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 73% | 0.73 | 79% | 0.786 | S | S | * | * | trans | 32.3 | 112.9 | 142.3 | 57.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 994 | H | 30.7 | Very low | 28.2 | Very low | 188 Ų | 188 | 141.7 Ų | 141.7 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -129.6 | 157.6 | 141.3 | -111.3 | -98.2 | 0 | 0 | 0 | 110.7 | ||||
| 995 | K | 25.8 | Very low | 28.1 | Very low | 201 Ų | 201 | 145 Ų | 145 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -91.3 | 173.5 | -163.9 | -64.2 | 175.6 | 178 | 174.4 | 0 | 113.2 | ||||
| 996 | A | 28 | Very low | 28.2 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | 89.5 | 140.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 997 | R | 26.4 | Very low | 28.3 | Very low | 223 Ų | 223 | 143.7 Ų | 143.7 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | cis | -156 | 152.5 | -11.3 | -122.3 | 172.3 | -179.7 | 156.5 | -3.1 | 109.6 | ||||
| 998 | N | 26.1 | Very low | 28.1 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | trans | 30.1 | 114.5 | 152.8 | -53.6 | 0.3 | 0 | 0 | 0 | 119.3 | ||||
| 999 | L | 33.4 | Very low | 28.1 | Very low | 180 Ų | 180 | 145.1 Ų | 145.1 | 94% | 0.942 | 78% | 0.783 | S | S | * | * | -159.6 | 151.2 | 115.9 | -102.6 | 155.6 | 0 | 0 | 0 | 109.5 | |||||
| 1000 | H | 28 | Very low | 28.1 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 84% | 0.843 | 79% | 0.789 | S | S | * | * | trans | -106.2 | 174.4 | -167.9 | -121.7 | -126.5 | 0 | 0 | 0 | 111.7 | ||||
| 1001 | P | 38.7 | Very low | 28.3 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 62% | 0.617 | 79% | 0.794 | S | S | * | * | trans | -88 | -166.2 | -157.1 | 38.6 | -39.4 | 0 | 0 | 0 | 113.6 | ||||
| 1002 | P | 31.2 | Very low | 28.4 | Very low | 112 Ų | 112 | 141.5 Ų | 141.5 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | -134 | 138.5 | 103.8 | 37.3 | -29.2 | 0 | 0 | 0 | 114.9 | |||||
| 1003 | T | 28.7 | Very low | 28.6 | Very low | 134 Ų | 134 | 142.2 Ų | 142.2 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | -70.2 | 132.9 | 144.6 | 42.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1004 | T | 30.9 | Very low | 28.5 | Very low | 114 Ų | 114 | 141.5 Ų | 141.5 | 70% | 0.699 | 79% | 0.79 | S | S | * | * | trans | -145 | 127.9 | 166.6 | -45.3 | 0 | 0 | 0 | 0 | 110.7 | V1006 | T1004-V1006 HydrophobicContact CG2-CG2 4.39Š| ||
| 1005 | V | 24.8 | Very low | 28.6 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -86 | 123.9 | 175 | 177.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1006 | V | 28.3 | Very low | 28.6 | Very low | 125 Ų | 125 | 139.3 Ų | 139.3 | 76% | 0.758 | 79% | 0.786 | S | S | * | * | trans | -138.2 | 112.6 | 165.3 | -177.2 | 0 | 0 | 0 | 0 | 110 | T1004 | T1004-V1006 HydrophobicContact CG2-CG2 4.39Š| ||
| 1007 | S | 25.1 | Very low | 28.9 | Very low | 104 Ų | 104 | 139.2 Ų | 139.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -92.9 | 122.5 | 167.6 | -55.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 1008 | K | 26.9 | Very low | 29 | Very low | 188 Ų | 188 | 131.9 Ų | 131.9 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | trans | -169.8 | 120.3 | 155.8 | -102.6 | 153.5 | -176.3 | -179.4 | 0 | 106.8 | ||||
| 1009 | A | 23.9 | Very low | 29 | Very low | 81 Ų | 81 | 131 Ų | 131 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | cis | 83.1 | 141.8 | 41 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1010 | Y | 27 | Very low | 29 | Very low | 237 Ų | 237 | 128.1 Ų | 128.1 | 93% | 0.929 | 79% | 0.785 | S | S | * | * | trans | 66.5 | 135.8 | -164.1 | -53.3 | -85.2 | 0 | 0 | 0 | 113.3 | ||||
| 1011 | G | 28.8 | Very low | 29.1 | Very low | 81 Ų | 81 | 127 Ų | 127 | 84% | 0.835 | 78% | 0.782 | S | S | * | * | cis | 160.9 | 156.2 | -2.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1012 | G | 27.4 | Very low | 28.5 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | cis | -161 | -146.6 | -1.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1013 | E | 32.3 | Very low | 28.2 | Very low | 196 Ų | 196 | 129.7 Ų | 129.7 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | 66.8 | 85.6 | 179.4 | -59.4 | 179.4 | -165 | 0 | 0 | 113.8 | ||||
| 1014 | S | 25.5 | Very low | 28 | Very low | 104 Ų | 104 | 130 Ų | 130 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | 85.4 | 85.3 | 26.7 | -49.2 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1015 | Y | 33.5 | Very low | 27.8 | Very low | 236 Ų | 236 | 134.3 Ų | 134.3 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -164.9 | 126.3 | 142.1 | -88.2 | -70.4 | 0 | 0 | 0 | 108.2 | ||||
| 1016 | S | 26.9 | Very low | 27.9 | Very low | 106 Ų | 106 | 131.4 Ų | 131.4 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | cis | 168 | 126.3 | -29.6 | 47.2 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1017 | G | 33.3 | Very low | 27.9 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 107.6 | 123.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1018 | G | 28.3 | Very low | 27.9 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | cis | 155.1 | 131.8 | -18 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1019 | S | 26.1 | Very low | 28 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | 70 | 165.3 | 149.8 | -65.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1020 | P | 33.2 | Very low | 28.1 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | cis | -138.7 | -169.9 | -39.1 | 38.5 | -21.9 | 0 | 0 | 0 | 113.4 | ||||
| 1021 | M | 30.3 | Very low | 28.8 | Very low | 159 Ų | 159 | 131.4 Ų | 131.4 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -81.3 | 165.3 | 152.1 | -75.9 | -143.2 | -65.5 | 0 | 0 | 112 | ||||
| 1022 | F | 25.3 | Very low | 29 | Very low | 197 Ų | 197 | 132.7 Ų | 132.7 | 86% | 0.864 | 79% | 0.788 | S | S | * | * | trans | 77 | 137.7 | 159.6 | -95.6 | -86.2 | 0 | 0 | 0 | 120.4 | ||||
| 1023 | G | 26.6 | Very low | 28.9 | Very low | 66 Ų | 66 | 137 Ų | 137 | 68% | 0.68 | 80% | 0.795 | S | S | * | * | trans | 93 | 153 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1024 | E | 24 | Very low | 28.6 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 65% | 0.654 | 79% | 0.786 | S | S | * | * | cis | -165.5 | 161.2 | -28.2 | -149.6 | 170.6 | 129.7 | 0 | 0 | 109.6 | ||||
| 1025 | Y | 26.5 | Very low | 28.6 | Very low | 204 Ų | 204 | 136 Ų | 136 | 80% | 0.8 | 78% | 0.782 | S | S | * | * | trans | 65 | 143.6 | 178.1 | -38.3 | -61.1 | 0 | 0 | 0 | 115.9 | ||||
| 1026 | G | 27.5 | Very low | 28.3 | Very low | 72 Ų | 72 | 130.4 Ų | 130.4 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | cis | 175.7 | 152.8 | -6.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1027 | L | 26.5 | Very low | 28.2 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | cis | -143.9 | 131 | 19.1 | -78.3 | 158.2 | 0 | 0 | 0 | 108.5 | ||||
| 1028 | V | 25.8 | Very low | 28.2 | Very low | 141 Ų | 141 | 131.7 Ų | 131.7 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | 74.9 | 130.3 | 92.9 | 175.7 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1029 | G | 28.5 | Very low | 28.7 | Very low | 70 Ų | 70 | 133.8 Ų | 133.8 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | trans | 93.6 | 98.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1030 | R | 26.3 | Very low | 28.7 | Very low | 251 Ų | 251 | 134.7 Ų | 134.7 | 95% | 0.947 | 77% | 0.768 | S | S | * | * | cis | 66.5 | 138 | 48.3 | -101 | -161.9 | 175.5 | -155.5 | -0.5 | 115.2 | ||||
| 1031 | P | 41.8 | Very low | 28.6 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -96.7 | -179.2 | -160.8 | 43.3 | -40.4 | 0 | 0 | 0 | 113.1 | ||||
| 1032 | P | 33.2 | Very low | 28.5 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | -151.7 | 155.7 | 92.4 | 40.3 | -22.8 | 0 | 0 | 0 | 118 | |||||
| 1033 | L | 24.5 | Very low | 28.7 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 41 | 148.7 | 133.4 | -57.4 | 171 | 0 | 0 | 0 | 124.3 | ||||
| 1034 | H | 26.8 | Very low | 29 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | trans | 104 | 114.8 | 135.7 | -117.6 | -116.7 | 0 | 0 | 0 | 121.6 | ||||
| 1035 | N | 25.7 | Very low | 29.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 63% | 0.631 | 76% | 0.759 | S | S | * | * | trans | 58.2 | 106.4 | 144 | -73.2 | 7.9 | 0 | 0 | 0 | 124.7 | ||||
| 1036 | T | 26.1 | Very low | 29.5 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.724 | 74% | 0.74 | S | S | * | * | 59.2 | 145.7 | 103.5 | -36.6 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1037 | V | 25.8 | Very low | 29.5 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 82% | 0.818 | 72% | 0.724 | S | S | * | * | trans | 90 | 131.9 | 165.3 | -159.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1038 | A | 33 | Very low | 29.5 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | trans | -103.2 | -130.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1039 | P | 38.1 | Very low | 29.7 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | cis | -128.4 | -151.5 | -22.3 | 33.4 | -10.1 | 0 | 0 | 0 | 111.4 | ||||
| 1040 | V | 27.6 | Very low | 29.7 | Very low | 140 Ų | 140 | 133 Ų | 133 | 85% | 0.848 | 72% | 0.718 | S | S | * | * | trans | 80.1 | 126.3 | 167.8 | -166.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1041 | G | 30.5 | Very low | 30 | Very low | 65 Ų | 65 | 126.2 Ų | 126.2 | 67% | 0.67 | 71% | 0.707 | S | S | * | * | trans | -140.8 | -175.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1042 | S | 28.9 | Very low | 29.8 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | trans | -162.8 | 144.1 | 172.8 | -100.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1043 | R | 28.1 | Very low | 30.2 | Very low | 230 Ų | 230 | 126.4 Ų | 126.4 | 87% | 0.868 | 71% | 0.706 | S | S | * | * | trans | 60.6 | 102.1 | 142.5 | -60.2 | 168 | -168.2 | -120.6 | 0.5 | 118.9 | ||||
| 1044 | R | 34 | Very low | 30.4 | Very low | 161 Ų | 161 | 126 Ų | 126 | 61% | 0.608 | 71% | 0.705 | S | S | * | * | 8.8 | 142.2 | 113.1 | -113.9 | -170.1 | -174.1 | -160.5 | 4.8 | 115.7 | |||||
| 1045 | P | 32.1 | Very low | 30.6 | Very low | 109 Ų | 109 | 122.6 Ų | 122.6 | 71% | 0.708 | 70% | 0.704 | S | S | * | * | -143.3 | 173.2 | 76.6 | 40.4 | -25.5 | 0 | 0 | 0 | 118.7 | |||||
| 1046 | Q | 29.6 | Very low | 30.8 | Very low | 86 Ų | 86 | 124.2 Ų | 124.2 | 40% | 0.402 | 71% | 0.712 | S | S | . | * | trans | -64.1 | 151.5 | 174.7 | -65.6 | 178.5 | -100 | 0 | 0 | 114.8 | G815 S816 K817 | G815-Q1046 PolarHBondContact O-NE2 3.42Å; S816-Q1046 WeakPolarHBondContact O-CA 3.16Å; S816-Q1046 WeakPolarHBondContact O-CB 3.37Å; S816-Q1046 WeakPolarHBondContact O-CG 3.29Å; K817-Q1046 CarbonylContact O-C 3.43Å; K817-Q1046 VanDerWaalsContact O-CA 3.27Å; K817-Q1046 WeakPolarHBondContact O-CA 3.25Å | ||
| 1047 | A | 26.3 | Very low | 30.8 | Very low | 49 Ų | 49 | 123.8 Ų | 123.8 | 41% | 0.405 | 71% | 0.713 | S | S | . | * | 152.2 | 156.9 | 99 | 0 | 0 | 0 | 0 | 0 | 116.6 | S816 K817 | S816-A1047 WeakPolarHBondContact O-CA 3.43Å; S816-A1047 PolarHBondContact O-N 2.84Å; K817-A1047 PolarHBondContact O-N 3.33Å | |||
| 1048 | F | 26.1 | Very low | 31.3 | Very low | 154 Ų | 154 | 122 Ų | 122 | 68% | 0.675 | 70% | 0.704 | S | S | * | * | trans | 61.3 | 160.4 | 168.2 | -60 | -72.4 | 0 | 0 | 0 | 117.1 | ||||
| 1049 | S | 31 | Very low | 31 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | cis | -143.6 | 171.8 | 8.1 | -141.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1050 | R | 27.7 | Very low | 30.5 | Very low | 229 Ų | 229 | 125.5 Ų | 125.5 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | trans | -75.4 | -178 | 171.5 | -90.2 | 172.7 | 140.8 | -150.9 | 0.7 | 112.2 | ||||
| 1051 | P | 33.2 | Very low | 30.4 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | cis | -138.8 | -158.4 | -46.4 | 39.7 | -19 | 0 | 0 | 0 | 112.1 | ||||
| 1052 | T | 36.8 | Very low | 30.2 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | trans | -61.9 | 171.5 | 158.1 | 51.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1053 | P | 41.5 | Very low | 30.2 | Very low | 101 Ų | 101 | 132.9 Ų | 132.9 | 66% | 0.656 | 71% | 0.705 | S | S | * | * | cis | -137.7 | -167.2 | -8 | 26 | 0.2 | 0 | 0 | 0 | 114.5 | ||||
| 1054 | N | 28.8 | Very low | 30.2 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 80% | 0.797 | 70% | 0.699 | S | S | * | * | trans | 119.5 | 107.7 | 142 | -66.4 | -20 | 0 | 0 | 0 | 119.1 | ||||
| 1055 | A | 30.9 | Very low | 29.9 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 71% | 0.71 | S | S | * | * | trans | -152.5 | 110 | 137 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1056 | I | 29.9 | Very low | 29.7 | Very low | 152 Ų | 152 | 128.4 Ų | 128.4 | 78% | 0.779 | 71% | 0.708 | S | S | * | * | 68.8 | 92.5 | 84.2 | -63.3 | 162.8 | 0 | 0 | 0 | 109.9 | |||||
| 1057 | S | 27.7 | Very low | 29.6 | Very low | 108 Ų | 108 | 131.6 Ų | 131.6 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | 84.9 | 160.9 | 74.1 | -85.9 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1058 | P | 35.7 | Very low | 29.7 | Very low | 98 Ų | 98 | 136 Ų | 136 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -143.4 | -169.7 | -18.6 | 36.6 | -15.8 | 0 | 0 | 0 | 115.1 | ||||
| 1059 | K | 26.7 | Very low | 30.1 | Very low | 172 Ų | 172 | 133.7 Ų | 133.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 67.7 | 166.9 | 144 | -84.5 | 176 | -176 | -119.3 | 0 | 118.8 | ||||
| 1060 | E | 26.8 | Very low | 30 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 47% | 0.472 | 74% | 0.738 | S | S | . | * | cis | -162.4 | 165.8 | -26.9 | -129.1 | 173.8 | -109.1 | 0 | 0 | 107.9 | ||||
| 1061 | R | 27.1 | Very low | 29.9 | Very low | 205 Ų | 205 | 132.5 Ų | 132.5 | 77% | 0.774 | 74% | 0.739 | S | S | * | * | trans | 63.5 | 164.2 | 159.7 | -68.2 | 167.2 | -149.8 | -158.2 | 2.9 | 117 | ||||
| 1062 | N | 26.4 | Very low | 29.6 | Very low | 150 Ų | 150 | 130.8 Ų | 130.8 | 80% | 0.802 | 74% | 0.741 | S | S | * | * | cis | 177 | 140.3 | -36 | -107.5 | -9.4 | 0 | 0 | 0 | 105.8 | ||||
| 1063 | A | 27.1 | Very low | 29.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 88% | 0.884 | 75% | 0.749 | S | S | * | * | trans | 61.7 | 168.6 | 156.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1064 | G | 29.5 | Very low | 28.6 | Very low | 73 Ų | 73 | 129.8 Ų | 129.8 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 83.7 | 104.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1065 | R | 26.5 | Very low | 28.6 | Very low | 224 Ų | 224 | 131.8 Ų | 131.8 | 85% | 0.845 | 76% | 0.76 | S | S | * | * | cis | 79.6 | 107 | 37 | -164.5 | -172.8 | 174.7 | 169.8 | 1.2 | 113.8 | ||||
| 1066 | T | 28.5 | Very low | 28.5 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 66% | 0.663 | 76% | 0.759 | S | S | * | * | trans | 62.2 | 158.8 | 159.4 | 52.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1067 | Q | 27.3 | Very low | 28.4 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | cis | -163 | 137.8 | -20.4 | -115.1 | 166.8 | -23.6 | 0 | 0 | 109.3 | ||||
| 1068 | N | 27.9 | Very low | 28.4 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 76% | 0.759 | S | S | * | * | trans | 58.3 | -166.8 | 151.5 | -58.5 | -7.7 | 0 | 0 | 0 | 116.2 | ||||
| 1069 | P | 34.8 | Very low | 28 | Very low | 104 Ų | 104 | 131.3 Ų | 131.3 | 68% | 0.675 | 77% | 0.765 | S | S | * | * | -138.4 | 168.6 | -82.5 | 44.1 | -29.6 | 0 | 0 | 0 | 117.4 | |||||
| 1070 | I | 28.7 | Very low | 28.2 | Very low | 143 Ų | 143 | 132 Ų | 132 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | 67.2 | 127.9 | 138 | -76.1 | 168.1 | 0 | 0 | 0 | 120.9 | ||||
| 1071 | I | 25.8 | Very low | 28.3 | Very low | 172 Ų | 172 | 132.4 Ų | 132.4 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | 66.2 | 132.7 | 160.4 | -69.3 | 162.2 | 0 | 0 | 0 | 118.2 | ||||
| 1072 | G | 27.5 | Very low | 28.4 | Very low | 73 Ų | 73 | 129.6 Ų | 129.6 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 160.5 | 109.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1073 | S | 28.9 | Very low | 28.5 | Very low | 131 Ų | 131 | 127.7 Ų | 127.7 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | trans | -54.3 | 155.6 | -178.8 | -48.7 | 0 | 0 | 0 | 0 | 118 | ||||
| 1074 | G | 27.7 | Very low | 28.6 | Very low | 70 Ų | 70 | 134.1 Ų | 134.1 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | trans | 125.4 | 118.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 1075 | M | 29.6 | Very low | 28.5 | Very low | 192 Ų | 192 | 140.6 Ų | 140.6 | 95% | 0.946 | 78% | 0.783 | S | S | * | * | trans | 57 | 115.5 | 150.9 | -64.1 | -170.1 | -177.9 | 0 | 0 | 118.7 | ||||
| 1076 | A | 29.3 | Very low | 28.5 | Very low | 86 Ų | 86 | 136.8 Ų | 136.8 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 83.3 | 133.4 | 88.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1077 | I | 27.5 | Very low | 28.4 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 89% | 0.887 | 77% | 0.772 | S | S | * | * | cis | -144 | 154.5 | 6.6 | -89.1 | 124.8 | 0 | 0 | 0 | 108.5 | ||||
| 1078 | G | 26.4 | Very low | 28.4 | Very low | 63 Ų | 63 | 136.3 Ų | 136.3 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | trans | 130.5 | 125.2 | 149.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1079 | C | 28.6 | Very low | 28.4 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 78% | 0.777 | 76% | 0.757 | S | S | * | * | S | Bend | trans | 58.4 | 97.1 | 148 | -59.1 | 0 | 0 | 0 | 0 | 120.5 | ||
| 1080 | H | 31 | Very low | 28 | Very low | 186 Ų | 186 | 135 Ų | 135 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | trans | 61.4 | 59.3 | 141.4 | -54.6 | -67.8 | 0 | 0 | 0 | 119.1 | ||||
| 1081 | S | 27.4 | Very low | 27.9 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -71.2 | 138.7 | 140.3 | -179.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1082 | L | 29 | Very low | 27.8 | Very low | 145 Ų | 145 | 132 Ų | 132 | 76% | 0.759 | 76% | 0.764 | S | S | * | * | -171.9 | 136 | 126.1 | -100.7 | 168.2 | 0 | 0 | 0 | 112.1 | |||||
| 1083 | D | 30 | Very low | 27.6 | Very low | 111 Ų | 111 | 137.6 Ų | 137.6 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | trans | 47.6 | 96.9 | 156.5 | -61.7 | -11.7 | 0 | 0 | 0 | 120.5 | ||||
| 1084 | R | 28.4 | Very low | 27.5 | Very low | 242 Ų | 242 | 134.8 Ų | 134.8 | 91% | 0.913 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -54.4 | 163 | 131.8 | -60.5 | -176.6 | -175.1 | -169.5 | 1.6 | 109.4 | ||
| 1085 | K | 28.4 | Very low | 27.5 | Very low | 209 Ų | 209 | 136.6 Ų | 136.6 | 91% | 0.909 | 75% | 0.747 | S | S | * | * | trans | 82.5 | 31.4 | 163.9 | -144.4 | 175 | -174.2 | 178.7 | 0 | 116.8 | ||||
| 1086 | K | 26.5 | Very low | 27.3 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | trans | -120.1 | 131.5 | 146.6 | -68.8 | 175.2 | -174.9 | 165.1 | 0 | 108.3 | ||||
| 1087 | Q | 26.6 | Very low | 27.1 | Very low | 140 Ų | 140 | 136.4 Ų | 136.4 | 65% | 0.654 | 72% | 0.722 | S | S | * | * | cis | -158.1 | 111.6 | -10.2 | 178.1 | 161.9 | -16.8 | 0 | 0 | 108.3 | L1089 | Q1087-L1089 HydrophobicContact CG-CB 3.98Å; Q1087-L1089 PolarHBondContact O-N 2.86Å | ||
| 1088 | L | 26.3 | Very low | 26.9 | Very low | 111 Ų | 111 | 133.9 Ų | 133.9 | 58% | 0.581 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -72.1 | 18.9 | -179.2 | -115.8 | 173.4 | 0 | 0 | 0 | 113.9 | D1619 D1620 | L1088-D1619 HydrophobicContact CD1-CB 3.97Å; L1088-D1620 WeakPolarHBondContact CD1-OD1 3.49Å |
| 1089 | L | 27.5 | Very low | 26.8 | Very low | 110 Ų | 110 | 135.9 Ų | 135.9 | 58% | 0.576 | 71% | 0.714 | S | S | * | * | trans | -122 | 58.4 | -176.3 | -71.9 | 167.8 | 0 | 0 | 0 | 110.5 | Q1087 Q1091 | Q1087-L1089 HydrophobicContact CG-CB 3.98Å; Q1087-L1089 PolarHBondContact O-N 2.86Å; L1089-Q1091 PolarHBondContact O-N 2.9Å | ||
| 1090 | A | 26.7 | Very low | 26.6 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 90% | 0.901 | 71% | 0.713 | S | S | * | * | trans | -77.2 | 50.4 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1091 | Q | 25.9 | Very low | 26.2 | Very low | 152 Ų | 152 | 133.6 Ų | 133.6 | 71% | 0.71 | 71% | 0.708 | S | S | * | * | trans | -114.8 | 142.1 | 178.8 | -63.1 | -168.9 | 12.3 | 0 | 0 | 109.7 | L1089 | L1089-Q1091 PolarHBondContact O-N 2.9Š| ||
| 1092 | A | 25.1 | Very low | 26.2 | Very low | 100 Ų | 100 | 131 Ų | 131 | 83% | 0.826 | 70% | 0.699 | S | S | * | * | trans | 62.5 | 39.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 119 | T1094 | A1092-T1094 PolarHBondContact O-N 3.35Š| ||
| 1093 | E | 23.9 | Very low | 25.9 | Very low | 192 Ų | 192 | 130.6 Ų | 130.6 | 90% | 0.897 | 70% | 0.697 | S | S | * | * | trans | -87.9 | 93.8 | 150.8 | -76.3 | -165.7 | 165.3 | 0 | 0 | 110.6 | ||||
| 1094 | T | 26.7 | Very low | 25.7 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 44% | 0.442 | 71% | 0.711 | S | S | . | * | trans | -74.2 | 128.8 | 157.9 | 41.8 | 0 | 0 | 0 | 0 | 109.1 | A1092 F1096 | A1092-T1094 PolarHBondContact O-N 3.35Å; T1094-F1096 PolarHBondContact O-N 3.45Å; T1094-F1096 WeakPolarHBondContact OG1-CE2 3.27Å | ||
| 1095 | P | 26.2 | Very low | 25.5 | Very low | 107 Ų | 107 | 131.1 Ų | 131.1 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | trans | -64.4 | 98.8 | 153.3 | 28.6 | -30.8 | 0 | 0 | 0 | 106.3 | R1097 | P1095-R1097 PolarHBondContact O-N 3.19Š| ||
| 1096 | F | 25.2 | Very low | 25.3 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 74% | 0.737 | 70% | 0.698 | S | S | * | * | trans | -53.7 | 133.7 | 161.9 | -79.4 | -93 | 0 | 0 | 0 | 106.8 | T1094 T1098 | T1094-F1096 PolarHBondContact O-N 3.45Å; T1094-F1096 WeakPolarHBondContact OG1-CE2 3.27Å; F1096-T1098 PolarHBondContact O-N 2.7Å | ||
| 1097 | R | 26.4 | Very low | 25.2 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 40% | 0.4 | 71% | 0.706 | S | S | . | * | trans | -62 | 112.9 | 159.3 | -101.1 | -167.5 | 179 | -175.4 | 1.3 | 105 | P1095 V1099 E1762 D1795 | P1095-R1097 PolarHBondContact O-N 3.19Å; R1097-V1099 PolarHBondContact O-N 3.01Å; R1097-E1762 IonicContact CZ-OE1 3.11Å; R1097-E1762 IonicContact NH1-OE1 2.8Å; R1097-E1762 IonicContact NH2-OE1 2.93Å; R1097-E1762 PolarHBondContact NH2-OE1 3.25Å; R1097-D1795 IonicContact CZ-OD2 3.6Å; R1097-D1795 IonicContact NH1-OD1 2.77Å; R1097-D1795 PolarHBondContact NH1-OD1 3.4Å; R1097-D1795 VanDerWaalsContact NH1-OD1 3.14Å; R1097-D1795 IonicContact NH1-OD2 3.37Å; R1097-D1795 PolarHBondContact NH1-OD2 3.36Å | ||
| 1098 | T | 22.4 | Very low | 25.1 | Very low | 121 Ų | 121 | 127.7 Ų | 127.7 | 74% | 0.742 | 71% | 0.71 | S | S | * | * | trans | -68.5 | 76.3 | 161 | -40.5 | 0 | 0 | 0 | 0 | 107.5 | F1096 S1100 | F1096-T1098 PolarHBondContact O-N 2.7Å; T1098-S1100 PolarHBondContact O-N 3.46Å | ||
| 1099 | V | 25.3 | Very low | 25.1 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -51.4 | 123.4 | 142.4 | 178.7 | 0 | 0 | 0 | 0 | 104.1 | R1097 I1101 | R1097-V1099 PolarHBondContact O-N 3.01Å; V1099-I1101 PolarHBondContact O-N 2.95Å | ||
| 1100 | S | 23.8 | Very low | 25 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | trans | -54.7 | 112.3 | -176.3 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | T1098 G1102 | T1098-S1100 PolarHBondContact O-N 3.46Å; S1100-G1102 PolarHBondContact O-N 3.38Å | ||
| 1101 | I | 23.6 | Very low | 24.9 | Very low | 146 Ų | 146 | 139.1 Ų | 139.1 | 75% | 0.749 | 72% | 0.724 | S | S | * | * | trans | -74.6 | 70.1 | 164.5 | -55.4 | 174.7 | 0 | 0 | 0 | 105.5 | V1099 D1103 | V1099-I1101 PolarHBondContact O-N 2.95Å; I1101-D1103 VanDerWaalsContact C-N 3.31Å; I1101-D1103 PolarHBondContact O-N 2.88Å; I1101-D1103 VanDerWaalsContact O-N 3.14Å | ||
| 1102 | G | 25.6 | Very low | 24.9 | Very low | 56 Ų | 56 | 140.3 Ų | 140.3 | 58% | 0.577 | 73% | 0.727 | S | S | * | * | trans | -71.8 | 96.6 | 161.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | S1100 | S1100-G1102 PolarHBondContact O-N 3.38Š| ||
| 1103 | D | 24.6 | Very low | 24.9 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 73% | 0.727 | 72% | 0.722 | S | S | * | * | trans | 40.1 | 104.9 | 160.1 | -51.5 | -51.3 | 0 | 0 | 0 | 116.7 | I1101 Q1105 | I1101-D1103 VanDerWaalsContact C-N 3.31Å; I1101-D1103 PolarHBondContact O-N 2.88Å; I1101-D1103 VanDerWaalsContact O-N 3.14Å; D1103-Q1105 PolarHBondContact O-N 3.28Å | ||
| 1104 | H | 25 | Very low | 25.2 | Very low | 190 Ų | 190 | 139 Ų | 139 | 88% | 0.88 | 72% | 0.721 | S | S | * | * | trans | -72.4 | 62.9 | 161.9 | -89.1 | 19.9 | 0 | 0 | 0 | 111.5 | ||||
| 1105 | Q | 23.7 | Very low | 25.1 | Very low | 174 Ų | 174 | 140.3 Ų | 140.3 | 81% | 0.813 | 73% | 0.734 | S | S | * | * | trans | -100.4 | 122.8 | 155.4 | -80.6 | -174.4 | -22.3 | 0 | 0 | 109.2 | D1103 | D1103-Q1105 PolarHBondContact O-N 3.28Š| ||
| 1106 | Q | 23.6 | Very low | 25.3 | Very low | 159 Ų | 159 | 142.5 Ų | 142.5 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | trans | -69.1 | 148.5 | 172.8 | -60.3 | -179.2 | 3.6 | 0 | 0 | 109.7 | ||||
| 1107 | P | 25.7 | Very low | 25.5 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 79% | 0.792 | 74% | 0.736 | S | S | * | * | trans | -112.1 | 109.8 | 130.8 | -11 | 29.1 | 0 | 0 | 0 | 110.9 | ||||
| 1108 | L | 23.5 | Very low | 25.6 | Very low | 139 Ų | 139 | 143.9 Ų | 143.9 | 73% | 0.728 | 75% | 0.754 | S | S | * | * | trans | -66.4 | 129.1 | 146.8 | -68.2 | 164 | 0 | 0 | 0 | 106.8 | ||||
| 1109 | Y | 26 | Very low | 25.7 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 62% | 0.616 | 76% | 0.757 | S | S | * | * | trans | -159 | 82.3 | 158.8 | -116.6 | -66.5 | 0 | 0 | 0 | 114.1 | I2100 | Y1109-I2100 PolarHBondContact OH-OXT 2.97Š| ||
| 1110 | Y | 26.6 | Very low | 25.8 | Very low | 239 Ų | 239 | 151.6 Ų | 151.6 | 94% | 0.937 | 77% | 0.766 | S | S | * | * | trans | -159 | 124.2 | 138.3 | -104.5 | -84.6 | 0 | 0 | 0 | 102.5 | ||||
| 1111 | E | 24.6 | Very low | 25.9 | Very low | 173 Ų | 173 | 153.5 Ų | 153.5 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | cis | -117.6 | -167 | 32.4 | -163.7 | 148.9 | -149.1 | 0 | 0 | 113.9 | ||||
| 1112 | K | 25.4 | Very low | 25.9 | Very low | 178 Ų | 178 | 153.5 Ų | 153.5 | 77% | 0.774 | 77% | 0.766 | S | S | * | * | trans | -146 | 152.5 | -168.7 | -168.6 | -166.3 | 177.5 | -172.2 | 0 | 110.5 | ||||
| 1113 | V | 25.5 | Very low | 25.9 | Very low | 119 Ų | 119 | 156 Ų | 156 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | 82.5 | 96.6 | 169.9 | -165.9 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1114 | T | 29 | Very low | 26 | Very low | 144 Ų | 144 | 154.5 Ų | 154.5 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | -158.9 | 142.1 | 102.6 | 18.2 | 0 | 0 | 0 | 0 | 110 | |||||
| 1115 | S | 26.4 | Very low | 26.1 | Very low | 100 Ų | 100 | 152.1 Ų | 152.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | -114.4 | 150.7 | 175.7 | 57.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1116 | N | 30.6 | Very low | 26.3 | Very low | 153 Ų | 153 | 151.1 Ų | 151.1 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | 179.6 | 127.9 | 124.1 | -88.4 | -12.7 | 0 | 0 | 0 | 112.5 | |||||
| 1117 | N | 27.8 | Very low | 26.4 | Very low | 122 Ų | 122 | 147.3 Ų | 147.3 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | trans | -79.1 | 133.6 | 161.9 | -90.2 | -9.7 | 0 | 0 | 0 | 110 | T2096 | N1117-T2096 PolarHBondContact ND2-O 3.49Š| ||
| 1118 | K | 29.9 | Very low | 26.6 | Very low | 181 Ų | 181 | 149 Ų | 149 | 79% | 0.787 | 76% | 0.759 | S | S | * | * | trans | -163.7 | 140.3 | 130.2 | -113.3 | 172.1 | -175.7 | -179.8 | 0 | 113.8 | ||||
| 1119 | R | 24.6 | Very low | 26.8 | Very low | 212 Ų | 212 | 148.1 Ų | 148.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | -61.1 | 147.3 | 173.7 | -48.5 | 162 | 177.7 | 177.6 | -5.1 | 111.1 | ||||
| 1120 | Q | 26.7 | Very low | 26.8 | Very low | 177 Ų | 177 | 145.8 Ų | 145.8 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | 173.1 | 118.7 | 100.5 | -101.8 | 167.3 | -45.2 | 0 | 0 | 113.1 | |||||
| 1121 | D | 25.3 | Very low | 27.3 | Very low | 146 Ų | 146 | 139.7 Ų | 139.7 | 78% | 0.781 | 76% | 0.756 | S | S | * | * | 54.3 | 164.6 | 118.9 | -128.9 | -29.3 | 0 | 0 | 0 | 123.4 | |||||
| 1122 | M | 23.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | trans | 64.7 | 73.3 | 163.2 | -69.1 | -61.7 | -65 | 0 | 0 | 118.9 | S1124 | M1122-S1124 PolarHBondContact O-N 3.48Š| ||
| 1123 | S | 25.9 | Very low | 27.5 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | 26.2 | 87.4 | 112.2 | -167.1 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1124 | S | 27.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 143.9 Ų | 143.9 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | trans | -172.6 | 137.6 | 158.1 | -82.6 | 0 | 0 | 0 | 0 | 109.8 | M1122 | M1122-S1124 PolarHBondContact O-N 3.48Š| ||
| 1125 | L | 27.5 | Very low | 27.9 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | cis | -154.7 | 135.3 | -14.1 | -96.4 | 174.1 | 0 | 0 | 0 | 106.6 | ||||
| 1126 | L | 27.2 | Very low | 28 | Very low | 153 Ų | 153 | 147.6 Ų | 147.6 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | 58.7 | 160.5 | 146.5 | -58.7 | 170.8 | 0 | 0 | 0 | 118.9 | ||||
| 1127 | S | 26.3 | Very low | 27.9 | Very low | 79 Ų | 79 | 144.8 Ų | 144.8 | 55% | 0.552 | 76% | 0.756 | S | S | * | * | cis | -176.9 | 175.9 | -31.3 | 61.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1128 | I | 29.3 | Very low | 28 | Very low | 157 Ų | 157 | 150.6 Ų | 150.6 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | 68.5 | 142.1 | 153.5 | -69.2 | 166 | 0 | 0 | 0 | 117.8 | ||||
| 1129 | V | 28.4 | Very low | 28.1 | Very low | 120 Ų | 120 | 149.9 Ų | 149.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | cis | -164.4 | 134.1 | -40.7 | 106.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1130 | S | 25.3 | Very low | 28.4 | Very low | 109 Ų | 109 | 143.2 Ų | 143.2 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | trans | 61.2 | 164.1 | 154.6 | -59 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1131 | P | 38.2 | Very low | 28.5 | Very low | 111 Ų | 111 | 139.6 Ų | 139.6 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -118.2 | 173.9 | -168.1 | 42.9 | -33.5 | 0 | 0 | 0 | 116 | ||||
| 1132 | K | 27.4 | Very low | 28.7 | Very low | 188 Ų | 188 | 139 Ų | 139 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -178.7 | 138.3 | 152.7 | -99.2 | 142.8 | -169.9 | 172 | 0 | 116.1 | ||||
| 1133 | R | 26.3 | Very low | 29 | Very low | 215 Ų | 215 | 137.9 Ų | 137.9 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | 55.9 | 131.8 | 137.9 | -62.1 | 177.6 | -178.9 | -171 | -1.8 | 120.4 | ||||
| 1134 | I | 28 | Very low | 29.3 | Very low | 155 Ų | 155 | 141.5 Ų | 141.5 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | 70.3 | 135.6 | 56.4 | -62.9 | 165.2 | 0 | 0 | 0 | 111.5 | |||||
| 1135 | P | 34.9 | Very low | 29.6 | Very low | 99 Ų | 99 | 140.1 Ų | 140.1 | 64% | 0.643 | 78% | 0.783 | S | S | * | * | cis | -147.9 | -173.6 | 16.7 | 40.2 | -17.5 | 0 | 0 | 0 | 120.9 | ||||
| 1136 | Y | 27.5 | Very low | 29.8 | Very low | 222 Ų | 222 | 137.2 Ų | 137.2 | 87% | 0.871 | 79% | 0.787 | S | S | * | * | trans | 78.3 | 115.8 | 139.9 | -72.8 | -46.6 | 0 | 0 | 0 | 127.8 | ||||
| 1137 | A | 28.2 | Very low | 30.4 | Very low | 94 Ų | 94 | 136 Ų | 136 | 78% | 0.777 | 79% | 0.788 | S | S | * | * | 64.6 | 134.2 | 122.5 | 0 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1138 | R | 31.8 | Very low | 30.7 | Very low | 245 Ų | 245 | 140.1 Ų | 140.1 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | 168 | 163.9 | 108.7 | -162.3 | 162.6 | -171 | 164.2 | 2.6 | 113.8 | |||||
| 1139 | N | 30.1 | Very low | 30.7 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | trans | -96.1 | 158.4 | -173.5 | -57.7 | -6 | 0 | 0 | 0 | 115.8 | ||||
| 1140 | G | 31.8 | Very low | 30.8 | Very low | 72 Ų | 72 | 141 Ų | 141 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 165.3 | 125.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1141 | A | 29.4 | Very low | 30.9 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | 81.6 | 140.4 | 53.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1142 | V | 28.7 | Very low | 30.5 | Very low | 133 Ų | 133 | 145 Ų | 145 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | cis | -163.2 | -171.2 | -8.1 | 137.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 1143 | V | 30.3 | Very low | 30.4 | Very low | 123 Ų | 123 | 140.1 Ų | 140.1 | 75% | 0.745 | 79% | 0.792 | S | S | * | * | trans | 99.5 | 113.4 | 160.1 | -169.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1144 | M | 30.4 | Very low | 30.6 | Very low | 186 Ų | 186 | 138.8 Ų | 138.8 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | trans | 41 | 153.1 | 141.4 | -47.2 | -75.4 | -103.6 | 0 | 0 | 122 | ||||
| 1145 | G | 33.7 | Very low | 30.6 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | cis | 179.3 | 167.3 | -1.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1146 | G | 32 | Very low | 30.2 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 81% | 0.814 | 79% | 0.794 | S | S | * | * | trans | -108.6 | -143.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1147 | P | 40.1 | Very low | 30.3 | Very low | 127 Ų | 127 | 134 Ų | 134 | 83% | 0.825 | 79% | 0.79 | S | S | * | * | cis | -131.3 | -175.4 | -30.9 | 41.8 | -27 | 0 | 0 | 0 | 112 | ||||
| 1148 | Q | 32.2 | Very low | 30.2 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 176 | 133.3 | 142.9 | -100.1 | -157.1 | -20.6 | 0 | 0 | 111.6 | ||||
| 1149 | L | 29.7 | Very low | 30.1 | Very low | 127 Ų | 127 | 128.2 Ų | 128.2 | 67% | 0.665 | 78% | 0.776 | S | S | * | * | 63.8 | 138.9 | 102 | -96.5 | 72.2 | 0 | 0 | 0 | 115.8 | |||||
| 1150 | E | 30.1 | Very low | 29.8 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | cis | -153.1 | -173.9 | 0.6 | -156 | 157.4 | -135.8 | 0 | 0 | 112.1 | ||||
| 1151 | T | 28 | Very low | 29.6 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | -143.1 | 122.4 | -170.4 | -57.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1152 | M | 29 | Very low | 29.4 | Very low | 179 Ų | 179 | 129 Ų | 129 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | trans | -135.1 | 128.2 | 160.8 | -56.6 | -166.6 | 90.3 | 0 | 0 | 109 | ||||
| 1153 | S | 27 | Very low | 29.4 | Very low | 86 Ų | 86 | 134.1 Ų | 134.1 | 60% | 0.601 | 77% | 0.765 | S | S | * | * | 64.5 | 132.1 | 54.6 | -66.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1154 | K | 30.3 | Very low | 29.2 | Very low | 187 Ų | 187 | 131.7 Ų | 131.7 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | cis | 175.8 | -162.1 | -4.1 | -118 | 168.3 | -177.7 | 171.9 | 0 | 103.8 | ||||
| 1155 | T | 28.1 | Very low | 29.1 | Very low | 122 Ų | 122 | 130.9 Ų | 130.9 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | 75.3 | 117.3 | 166.1 | -46.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1156 | A | 26.2 | Very low | 28.8 | Very low | 87 Ų | 87 | 134.3 Ų | 134.3 | 72% | 0.719 | 75% | 0.749 | S | S | * | * | cis | 91.1 | 102 | 23.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 1157 | Q | 29.8 | Very low | 28.7 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 79% | 0.785 | 74% | 0.743 | S | S | * | * | trans | -159.1 | 136.8 | 149.4 | -97.4 | 136.9 | 84.2 | 0 | 0 | 105.7 | ||||
| 1158 | S | 25.7 | Very low | 28.1 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 76% | 0.755 | 74% | 0.737 | S | S | * | * | cis | 77.2 | 162.8 | 31.6 | -155 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1159 | T | 28.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 66% | 0.663 | 74% | 0.735 | S | S | * | * | trans | 57.3 | 98.1 | -177.9 | 38.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1160 | S | 25.1 | Very low | 27.8 | Very low | 90 Ų | 90 | 135 Ų | 135 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | 77.3 | 109 | 73 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1161 | M | 26.1 | Very low | 27.6 | Very low | 170 Ų | 170 | 131 Ų | 131 | 84% | 0.837 | 73% | 0.73 | S | S | * | * | 81.5 | 168.7 | 100.1 | -75.2 | -172.4 | 66.3 | 0 | 0 | 113.4 | |||||
| 1162 | S | 26.3 | Very low | 27.6 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | 78.8 | 110.3 | 172 | -54 | 0 | 0 | 0 | 0 | 112 | ||||
| 1163 | R | 27.6 | Very low | 27.6 | Very low | 240 Ų | 240 | 125.6 Ų | 125.6 | 91% | 0.906 | 72% | 0.721 | S | S | * | * | 100 | 158.4 | 72.2 | -94.7 | 176.5 | 174.4 | -163.9 | -2 | 108.6 | |||||
| 1164 | S | 26.9 | Very low | 27.7 | Very low | 73 Ų | 73 | 127.1 Ų | 127.1 | 51% | 0.51 | 73% | 0.726 | S | S | . | * | cis | -165.4 | 141 | 5 | 134.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 1165 | M | 27.5 | Very low | 27.6 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 83% | 0.833 | 72% | 0.718 | S | S | * | * | trans | 57.7 | 140.2 | 152.9 | -55.4 | -176.5 | -66 | 0 | 0 | 116 | ||||
| 1166 | I | 27.9 | Very low | 27.5 | Very low | 148 Ų | 148 | 123.9 Ų | 123.9 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | 164.3 | 131.1 | 101.4 | -85.4 | 165.6 | 0 | 0 | 0 | 100.7 | |||||
| 1167 | D | 30.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 127.9 Ų | 127.9 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | cis | -131 | 135.4 | 12.3 | -101.2 | -28.6 | 0 | 0 | 0 | 109.5 | ||||
| 1168 | E | 27.3 | Very low | 27.5 | Very low | 150 Ų | 150 | 125.3 Ų | 125.3 | 70% | 0.701 | 72% | 0.718 | S | S | * | * | 80.8 | 142.6 | 85.6 | -93 | -148.8 | 150.9 | 0 | 0 | 115.1 | |||||
| 1169 | L | 28.2 | Very low | 27.6 | Very low | 140 Ų | 140 | 123.2 Ų | 123.2 | 73% | 0.733 | 71% | 0.713 | S | S | * | * | trans | 43.6 | 139.7 | 141.9 | -59.3 | -174.6 | 0 | 0 | 0 | 120.9 | ||||
| 1170 | S | 27.6 | Very low | 27.4 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | cis | -153.3 | 165 | 0.7 | 48.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1171 | A | 26.9 | Very low | 27.5 | Very low | 83 Ų | 83 | 128.4 Ų | 128.4 | 69% | 0.686 | 72% | 0.723 | S | S | * | * | 31.8 | 142.6 | 83.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 1172 | V | 27 | Very low | 27.5 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 75% | 0.745 | 71% | 0.712 | S | S | * | * | cis | -145.3 | 137.3 | 32.7 | 173.1 | 0 | 0 | 0 | 0 | 112.1 | V1174 | V1172-V1174 HydrophobicContact CG1-CG2 4.4Š| ||
| 1173 | G | 28.5 | Very low | 27.6 | Very low | 68 Ų | 68 | 129.1 Ų | 129.1 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | 64.2 | -154.2 | 146.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1174 | V | 28.9 | Very low | 27.6 | Very low | 118 Ų | 118 | 124.4 Ų | 124.4 | 72% | 0.715 | 71% | 0.707 | S | S | * | * | cis | -131.9 | 89.9 | 0.7 | 168.7 | 0 | 0 | 0 | 0 | 106.6 | V1172 | V1172-V1174 HydrophobicContact CG1-CG2 4.4Š| ||
| 1175 | T | 28.1 | Very low | 27.5 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 64% | 0.638 | 71% | 0.708 | S | S | * | * | 70.5 | 162.2 | 97.5 | 66.9 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1176 | L | 27.5 | Very low | 27.5 | Very low | 136 Ų | 136 | 125.3 Ų | 125.3 | 71% | 0.712 | 71% | 0.709 | S | S | * | * | trans | 77.5 | 145.2 | 171.6 | -46.3 | -174.2 | 0 | 0 | 0 | 114.6 | ||||
| 1177 | K | 28.1 | Very low | 27.6 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 75% | 0.748 | 71% | 0.707 | S | S | * | * | cis | -147.3 | 146.1 | -7.6 | -115.6 | 159.3 | -174.1 | 172.3 | 0 | 107.6 | ||||
| 1178 | S | 26 | Very low | 27.4 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | 45 | 127.8 | 97.8 | -169.6 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1179 | G | 28.6 | Very low | 27.8 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | cis | -152.4 | -170.7 | 10.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1180 | R | 25 | Very low | 27.8 | Very low | 231 Ų | 231 | 118.6 Ų | 118.6 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | 54.8 | 112.6 | 74 | -163 | -178.2 | -174.9 | 168.2 | 2.5 | 109.5 | |||||
| 1181 | A | 26.4 | Very low | 28 | Very low | 76 Ų | 76 | 117.5 Ų | 117.5 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | cis | -150.5 | 139 | 48.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1182 | Q | 27.1 | Very low | 28.2 | Very low | 128 Ų | 128 | 118.9 Ų | 118.9 | 60% | 0.598 | 73% | 0.731 | S | S | * | * | 90.9 | 138.2 | 89.5 | -79.7 | 169.4 | -126.5 | 0 | 0 | 114.9 | |||||
| 1183 | Q | 27.9 | Very low | 28.2 | Very low | 153 Ų | 153 | 118.4 Ų | 118.4 | 72% | 0.715 | 73% | 0.734 | S | S | * | * | trans | 55 | 129.6 | 141.2 | -67.8 | 157.5 | -25.5 | 0 | 0 | 117.9 | ||||
| 1184 | N | 26.8 | Very low | 28.5 | Very low | 140 Ų | 140 | 119.4 Ų | 119.4 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | cis | -165.4 | 169.2 | 26.2 | -103.2 | -12.6 | 0 | 0 | 0 | 108.1 | ||||
| 1185 | C | 25.9 | Very low | 28.5 | Very low | 81 Ų | 81 | 118.2 Ų | 118.2 | 55% | 0.547 | 72% | 0.722 | S | S | . | * | cis | -162.6 | 151.8 | -9 | -127.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1186 | Q | 27.4 | Very low | 28.4 | Very low | 180 Ų | 180 | 114.9 Ų | 114.9 | 84% | 0.841 | 71% | 0.705 | S | S | * | * | trans | 60.7 | 144.5 | 151.9 | -58.1 | 158.5 | 27.5 | 0 | 0 | 118 | ||||
| 1187 | S | 30.5 | Very low | 28.5 | Very low | 102 Ų | 102 | 115.6 Ų | 115.6 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | cis | -157.1 | 136 | -9.6 | 42.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1188 | S | 26.9 | Very low | 28.4 | Very low | 113 Ų | 113 | 111.4 Ų | 111.4 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | 49.2 | 140.9 | 81.2 | -62 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1189 | P | 35.4 | Very low | 28.7 | Very low | 130 Ų | 130 | 113 Ų | 113 | 84% | 0.844 | 71% | 0.711 | S | S | * | * | cis | -108.5 | -173.6 | -0.8 | 41.4 | -30.9 | 0 | 0 | 0 | 112.5 | ||||
| 1190 | G | 27.9 | Very low | 28.5 | Very low | 79 Ų | 79 | 115.1 Ų | 115.1 | 81% | 0.814 | 72% | 0.716 | S | S | * | * | cis | 116.5 | 124.6 | -0 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1191 | G | 30.5 | Very low | 28.9 | Very low | 73 Ų | 73 | 110 Ų | 110 | 75% | 0.753 | 71% | 0.712 | S | S | * | * | trans | 162.5 | 133.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1192 | S | 32.7 | Very low | 29.1 | Very low | 112 Ų | 112 | 112.4 Ų | 112.4 | 78% | 0.783 | 72% | 0.719 | S | S | * | * | trans | 19.3 | 134.6 | 155.7 | 53.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1193 | S | 25.5 | Very low | 29 | Very low | 114 Ų | 114 | 111.9 Ų | 111.9 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | cis | 91.5 | 179.4 | 27.7 | -36.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1194 | P | 35.3 | Very low | 29.1 | Very low | 89 Ų | 89 | 110.5 Ų | 110.5 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | trans | -87.7 | 179.4 | -142.1 | -2.5 | 27.5 | 0 | 0 | 0 | 114.6 | L293 | L293-P1194 HydrophobicContact CD1-CB 4.38Š| ||
| 1195 | P | 29.1 | Very low | 29.2 | Very low | 92 Ų | 92 | 112.1 Ų | 112.1 | 60% | 0.597 | 74% | 0.735 | S | S | * | * | cis | -117.2 | -167.7 | 28.9 | 18.3 | 7.5 | 0 | 0 | 0 | 113.7 | ||||
| 1196 | A | 24.9 | Very low | 29.3 | Very low | 34 Ų | 34 | 111.5 Ų | 111.5 | 28% | 0.281 | 74% | 0.735 | S | S | . | * | cis | 92 | 165 | 6.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | L293 | L293-A1196 HydrophobicContact CB-CB 4.08Å; L293-A1196 VanDerWaalsContact O-CA 3.27Å; L293-A1196 WeakPolarHBondContact O-CA 3.29Å; L293-A1196 WeakPolarHBondContact O-CB 3.25Å | ||
| 1197 | I | 30.4 | Very low | 29.4 | Very low | 152 Ų | 152 | 108.4 Ų | 108.4 | 78% | 0.779 | 73% | 0.729 | S | S | * | * | trans | 78.5 | 118.6 | -177.1 | -52.8 | 163 | 0 | 0 | 0 | 113.4 | ||||
| 1198 | A | 25.8 | Very low | 29.4 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 69% | 0.694 | 73% | 0.729 | S | S | * | * | cis | 91.3 | 104.3 | 19.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1199 | T | 32 | Very low | 29.5 | Very low | 148 Ų | 148 | 115.3 Ų | 115.3 | 91% | 0.908 | 73% | 0.726 | S | S | * | * | trans | -161.7 | 138.4 | 147.6 | 24.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1200 | S | 24.9 | Very low | 29.1 | Very low | 107 Ų | 107 | 112.4 Ų | 112.4 | 75% | 0.748 | 71% | 0.714 | S | S | * | * | trans | -89.2 | 176.5 | 160.9 | 63.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1201 | P | 34.6 | Very low | 29.1 | Very low | 122 Ų | 122 | 115.5 Ų | 115.5 | 79% | 0.792 | 71% | 0.71 | S | S | * | * | -147.7 | -177.5 | 75.1 | 38.3 | -17.6 | 0 | 0 | 0 | 116.1 | |||||
| 1202 | T | 29.1 | Very low | 29 | Very low | 128 Ų | 128 | 119.2 Ų | 119.2 | 79% | 0.785 | 71% | 0.71 | S | S | * | * | trans | -81.7 | 156.2 | -177.1 | 49.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1203 | S | 25.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 120 Ų | 120 | 81% | 0.811 | 71% | 0.705 | S | S | * | * | trans | 75.7 | 174.1 | 143.1 | -154.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1204 | V | 30.7 | Very low | 29 | Very low | 125 Ų | 125 | 120.2 Ų | 120.2 | 76% | 0.758 | 70% | 0.701 | S | S | * | * | trans | 74 | 84.9 | 171.2 | -163.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1205 | E | 27.2 | Very low | 28.8 | Very low | 174 Ų | 174 | 119.1 Ų | 119.1 | 81% | 0.813 | 71% | 0.706 | S | S | * | * | 53.2 | 153.8 | 110.4 | -157.8 | 44.8 | -110.9 | 0 | 0 | 122.3 | |||||
| 1206 | A | 28.4 | Very low | 28.8 | Very low | 68 Ų | 68 | 124.8 Ų | 124.8 | 56% | 0.562 | 72% | 0.717 | S | S | * | * | trans | 74.6 | 109.1 | 156.5 | 0 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1207 | T | 30.4 | Very low | 28.9 | Very low | 114 Ų | 114 | 132 Ų | 132 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | 98.7 | 106 | 117.2 | -66.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1208 | K | 30.1 | Very low | 28.7 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | 44.2 | 131.2 | 136.2 | -57.5 | 178 | -179.3 | 174.2 | 0 | 121.8 | ||||
| 1209 | R | 28.2 | Very low | 28.9 | Very low | 194 Ų | 194 | 132.6 Ų | 132.6 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | 170 | 137.1 | 99.2 | -94.7 | -172.4 | 177.9 | 93.9 | -5.9 | 112.4 | R360 | R360-R1209 PolarHBondContact NH2-O 3.29Š| |||
| 1210 | A | 27 | Very low | 28.8 | Very low | 70 Ų | 70 | 130.4 Ų | 130.4 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | trans | 60.3 | 153.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | R360 | R360-A1210 PolarHBondContact NH2-O 3.44Š| ||
| 1211 | I | 28.9 | Very low | 28.8 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | cis | -165.6 | 146.4 | -7.2 | -105.9 | 166.3 | 0 | 0 | 0 | 102.4 | ||||
| 1212 | M | 29.3 | Very low | 28.6 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 74% | 0.744 | 74% | 0.737 | S | S | * | * | cis | -157.8 | 172.8 | -9.9 | -103.7 | 160.2 | 62.2 | 0 | 0 | 106.9 | ||||
| 1213 | D | 29.9 | Very low | 28.4 | Very low | 127 Ų | 127 | 132 Ų | 132 | 68% | 0.679 | 73% | 0.732 | S | S | * | * | cis | -161.5 | 144.5 | -45.3 | -113.8 | 35.1 | 0 | 0 | 0 | 107 | ||||
| 1214 | V | 27.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 133 Ų | 133 | 72% | 0.721 | 72% | 0.718 | S | S | * | * | 68.2 | 123.9 | 89 | -175.3 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1215 | G | 30.8 | Very low | 28.4 | Very low | 66 Ų | 66 | 133.8 Ų | 133.8 | 68% | 0.68 | 72% | 0.718 | S | S | * | * | trans | 117.2 | 91.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1216 | Y | 28.1 | Very low | 28.4 | Very low | 211 Ų | 211 | 130.3 Ų | 130.3 | 83% | 0.827 | 70% | 0.698 | S | S | * | * | cis | 66.1 | 130.5 | 29.9 | -73.1 | -65.9 | 0 | 0 | 0 | 115.7 | ||||
| 1217 | K | 27.8 | Very low | 28.7 | Very low | 187 Ų | 187 | 130.8 Ų | 130.8 | 81% | 0.813 | 70% | 0.695 | S | S | * | * | trans | 80.1 | 107.8 | 162.7 | -66.3 | 178.8 | 177.7 | -177.8 | 0 | 119.5 | ||||
| 1218 | T | 26.4 | Very low | 28.5 | Very low | 126 Ų | 126 | 128.3 Ų | 128.3 | 77% | 0.773 | 68% | 0.683 | S | S | * | * | 45 | 158.2 | 120.4 | 61.6 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1219 | P | 30.4 | Very low | 28.3 | Very low | 121 Ų | 121 | 125.6 Ų | 125.6 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | cis | -124.7 | -105.6 | -13.9 | 22.5 | 4.5 | 0 | 0 | 0 | 115.3 | ||||
| 1220 | P | 29.5 | Very low | 28.3 | Very low | 103 Ų | 103 | 121 Ų | 121 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | trans | -128.7 | 145.9 | -133 | 38.8 | -18.7 | 0 | 0 | 0 | 118.4 | ||||
| 1221 | L | 24.3 | Very low | 28.2 | Very low | 168 Ų | 168 | 120.7 Ų | 120.7 | 88% | 0.88 | 66% | 0.662 | S | S | * | * | trans | 62.4 | 171.2 | 161.3 | -62.9 | 173.7 | 0 | 0 | 0 | 116.3 | ||||
| 1222 | P | 31.3 | Very low | 28 | Very low | 108 Ų | 108 | 121 Ų | 121 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | cis | -129 | -166.5 | -34 | 24.2 | -0.9 | 0 | 0 | 0 | 112.6 | ||||
| 1223 | V | 25.2 | Very low | 28 | Very low | 114 Ų | 114 | 119.5 Ų | 119.5 | 69% | 0.691 | 66% | 0.662 | S | S | * | * | trans | 89.1 | 118.3 | 152.9 | -170.6 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1224 | R | 25.6 | Very low | 27.7 | Very low | 137 Ų | 137 | 119 Ų | 119 | 52% | 0.517 | 66% | 0.659 | S | S | . | * | trans | 37 | 119.9 | 149.2 | -59.4 | 149.6 | 91.1 | 140 | -10 | 120.6 | S1606 | R1224-S1606 PolarHBondContact NH1-OG 2.85Š| ||
| 1225 | N | 29.9 | Very low | 27.6 | Very low | 142 Ų | 142 | 120.5 Ų | 120.5 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | -170.8 | 101.5 | 97.1 | -89.2 | -38.1 | 0 | 0 | 0 | 109.9 | |||||
| 1226 | R | 26.6 | Very low | 27.6 | Very low | 100 Ų | 100 | 121.3 Ų | 121.3 | 38% | 0.377 | 65% | 0.649 | S | S | . | * | 85.8 | 134.6 | 83.4 | -113 | -152.7 | -174.2 | -174 | 10.1 | 114 | N1595 L1598 V1602 | R1226-N1595 PolarHBondContact NH1-OD1 3.3Å; R1226-L1598 PolarHBondContact NH2-O 2.95Å; R1226-V1602 VanDerWaalsContact NH2-CG2 3.35Å | |||
| 1227 | P | 34.9 | Very low | 27.8 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 51% | 0.513 | 65% | 0.645 | S | S | . | * | trans | -114.8 | 177.1 | -165.3 | 43.9 | -35.2 | 0 | 0 | 0 | 115.3 | ||||
| 1228 | S | 26.3 | Very low | 27.7 | Very low | 62 Ų | 62 | 120 Ų | 120 | 43% | 0.434 | 64% | 0.644 | S | S | . | * | trans | -165 | 134.4 | 146.5 | -98.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1229 | D | 25.9 | Very low | 27.7 | Very low | 108 Ų | 108 | 121.6 Ų | 121.6 | 58% | 0.578 | 65% | 0.647 | S | S | * | * | 80.6 | 153.8 | 70.2 | -67.3 | -60.6 | 0 | 0 | 0 | 114.3 | |||||
| 1230 | I | 27.9 | Very low | 27.6 | Very low | 99 Ų | 99 | 119.7 Ų | 119.7 | 51% | 0.508 | 65% | 0.65 | S | S | . | * | trans | 72.5 | 101 | -172.7 | -46.8 | 168.5 | 0 | 0 | 0 | 111.9 | L1591 | I1230-L1591 HydrophobicContact CD1-CD1 3.78Å; I1230-L1591 HydrophobicContact CG1-CD1 4.46Å | ||
| 1231 | A | 25.4 | Very low | 27.5 | Very low | 63 Ų | 63 | 119.5 Ų | 119.5 | 52% | 0.521 | 66% | 0.657 | S | S | . | * | cis | 74.3 | 122.2 | 23.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1232 | Q | 24.8 | Very low | 27.5 | Very low | 149 Ų | 149 | 123.5 Ų | 123.5 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | trans | 71.3 | 157.9 | 168.6 | -62.7 | 176.9 | -24.4 | 0 | 0 | 115.1 | L1234 | Q1232-L1234 HydrophobicContact CB-CB 4.12Å; Q1232-L1234 HydrophobicContact CG-CB 4.43Å; Q1232-L1234 HydrophobicContact CG-CG 4.45Å; Q1232-L1234 VanDerWaalsContact OE1-CD1 3.32Å | ||
| 1233 | P | 28.8 | Very low | 27.3 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 78% | 0.779 | 67% | 0.669 | S | S | * | * | -96.8 | 154.8 | 60.5 | 33.8 | -37.6 | 0 | 0 | 0 | 114 | |||||
| 1234 | L | 23.6 | Very low | 27.3 | Very low | 117 Ų | 117 | 121.3 Ų | 121.3 | 61% | 0.613 | 66% | 0.659 | S | S | * | * | cis | 31.4 | 100 | 7.4 | -72.6 | -161.3 | 0 | 0 | 0 | 117.9 | Q1232 | Q1232-L1234 HydrophobicContact CB-CB 4.12Å; Q1232-L1234 HydrophobicContact CG-CB 4.43Å; Q1232-L1234 HydrophobicContact CG-CG 4.45Å; Q1232-L1234 VanDerWaalsContact OE1-CD1 3.32Å | ||
| 1235 | F | 26.9 | Very low | 27.4 | Very low | 151 Ų | 151 | 120.6 Ų | 120.6 | 66% | 0.662 | 67% | 0.665 | S | S | * | * | -177.1 | 157.2 | 128.7 | -85.8 | -48.2 | 0 | 0 | 0 | 108.1 | |||||
| 1236 | P | 29.9 | Very low | 27.3 | Very low | 82 Ų | 82 | 121 Ų | 121 | 53% | 0.532 | 67% | 0.667 | S | S | . | * | cis | -139 | 172.4 | -26 | 34.7 | -15.8 | 0 | 0 | 0 | 114.9 | ||||
| 1237 | H | 32.3 | Very low | 27.3 | Very low | 159 Ų | 159 | 121.2 Ų | 121.2 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | 69.5 | 161.7 | 160.8 | -51.3 | -52 | 0 | 0 | 0 | 119.4 | ||||
| 1238 | R | 25.2 | Very low | 27 | Very low | 211 Ų | 211 | 123.6 Ų | 123.6 | 80% | 0.796 | 70% | 0.695 | S | S | * | * | cis | -174.4 | 144.6 | -48.1 | -143.2 | -171.2 | -171.1 | -164.4 | 3 | 107.3 | ||||
| 1239 | L | 26.9 | Very low | 26.9 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 71% | 0.708 | S | S | * | * | trans | 70.8 | 152.1 | 166.3 | -51.5 | 167.3 | 0 | 0 | 0 | 117.2 | ||||
| 1240 | G | 28.3 | Very low | 26.9 | Very low | 81 Ų | 81 | 126.5 Ų | 126.5 | 84% | 0.835 | 71% | 0.709 | S | S | * | * | trans | 119.1 | 138.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1241 | A | 26.6 | Very low | 26.8 | Very low | 99 Ų | 99 | 128.3 Ų | 128.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | trans | -148.9 | 155.4 | -171 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1242 | R | 26 | Very low | 26.9 | Very low | 251 Ų | 251 | 133.8 Ų | 133.8 | 95% | 0.947 | 74% | 0.743 | S | S | * | * | trans | 75.3 | 150.7 | 161.6 | -82 | -177.7 | 164.1 | -178.3 | -5.4 | 120.5 | ||||
| 1243 | A | 26.7 | Very low | 27 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 89% | 0.893 | 74% | 0.743 | S | S | * | * | trans | 91.8 | 152.2 | 163.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1244 | S | 25.2 | Very low | 26.9 | Very low | 68 Ų | 68 | 130.5 Ų | 130.5 | 48% | 0.476 | 75% | 0.745 | S | S | . | * | trans | -102.9 | 148.9 | -157.4 | 52.7 | 0 | 0 | 0 | 0 | 114.2 | S1281 | S1244-S1281 PolarHBondContact OG-OG 3.44Š| ||
| 1245 | N | 27.6 | Very low | 27 | Very low | 122 Ų | 122 | 130 Ų | 130 | 65% | 0.652 | 76% | 0.758 | S | S | * | * | 171.8 | 130 | 112.9 | -79.5 | -22.5 | 0 | 0 | 0 | 111.1 | S1281 | N1245-S1281 PolarHBondContact ND2-OG 3.49Å; N1245-S1281 VanDerWaalsContact ND2-OG 3.13Å; N1245-S1281 PolarHBondContact OD1-OG 3.45Å | |||
| 1246 | D | 27.4 | Very low | 27.1 | Very low | 151 Ų | 151 | 132 Ų | 132 | 81% | 0.807 | 77% | 0.766 | S | S | * | * | trans | -75.7 | 171.7 | 163.4 | -103 | -54.8 | 0 | 0 | 0 | 110.5 | ||||
| 1247 | P | 27.5 | Very low | 26.8 | Very low | 105 Ų | 105 | 132.5 Ų | 132.5 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | cis | -133 | 151 | 16.9 | 38.8 | -21.4 | 0 | 0 | 0 | 117.5 | ||||
| 1248 | T | 26.9 | Very low | 26.7 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | trans | -155.7 | 96.6 | 160.4 | -34.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1249 | V | 26.1 | Very low | 26.6 | Very low | 115 Ų | 115 | 130.3 Ų | 130.3 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | 82.9 | 128.6 | 74.8 | 168.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1250 | L | 25.3 | Very low | 26.7 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 61% | 0.607 | 77% | 0.768 | S | S | * | * | trans | 69.4 | 109.9 | 165 | -77.1 | 165.7 | 0 | 0 | 0 | 121 | H1252 | L1250-H1252 WeakPolarHBondContact CD2-CD2 3.38Š| ||
| 1251 | C | 26.2 | Very low | 26.7 | Very low | 136 Ų | 136 | 127.9 Ų | 127.9 | 92% | 0.919 | 77% | 0.765 | S | S | * | * | trans | -136.3 | 90.4 | 145.6 | -86.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1252 | H | 26.5 | Very low | 26.8 | Very low | 178 Ų | 178 | 129 Ų | 129 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -86.9 | 129.2 | 174.1 | -86 | -41.1 | 0 | 0 | 0 | 111.4 | L1250 | L1250-H1252 WeakPolarHBondContact CD2-CD2 3.38Š| ||
| 1253 | G | 27.6 | Very low | 26.9 | Very low | 67 Ų | 67 | 123 Ų | 123 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | trans | -136.2 | 50.1 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1254 | T | 26.1 | Very low | 26.9 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | trans | 47.8 | 99.8 | 163.6 | 57.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1255 | A | 26 | Very low | 26.9 | Very low | 107 Ų | 107 | 129 Ų | 129 | 88% | 0.884 | 76% | 0.757 | S | S | * | * | trans | -116.3 | 145.9 | 148.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1256 | K | 29.2 | Very low | 26.9 | Very low | 191 Ų | 191 | 128.8 Ų | 128.8 | 83% | 0.83 | 77% | 0.765 | S | S | * | * | trans | -115.9 | 120.7 | -174.3 | -73.5 | -177.7 | 178.4 | 176.4 | 0 | 112.3 | ||||
| 1257 | S | 23.8 | Very low | 26.8 | Very low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 76% | 0.759 | S | S | * | * | trans | 47.3 | 120.1 | 149.9 | -166.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1258 | W | 28.7 | Very low | 26.7 | Very low | 210 Ų | 210 | 127.8 Ų | 127.8 | 80% | 0.795 | 77% | 0.769 | S | S | * | * | -135.1 | 146.2 | 124.1 | -93.8 | 92.9 | 0 | 0 | 0 | 108.8 | |||||
| 1259 | T | 24.2 | Very low | 26.7 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | -127.9 | 124.6 | -178.6 | 49.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1260 | A | 29.6 | Very low | 26.8 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -145.6 | 110 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 1261 | A | 27.8 | Very low | 27 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 76.9 | 101.1 | 85.1 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 1262 | P | 27.8 | Very low | 27 | Very low | 121 Ų | 121 | 121.5 Ų | 121.5 | 79% | 0.786 | 78% | 0.778 | S | S | * | * | trans | -99.1 | 138.3 | -170.9 | 36.1 | -32.5 | 0 | 0 | 0 | 114.5 | ||||
| 1263 | L | 28.5 | Very low | 27 | Very low | 125 Ų | 125 | 118.4 Ų | 118.4 | 65% | 0.654 | 78% | 0.776 | S | S | * | * | trans | -151.7 | 140.1 | 167.2 | -71.2 | 176.5 | 0 | 0 | 0 | 109.8 | Q1900 | L1263-Q1900 PolarHBondContact O-NE2 3.43Š| ||
| 1264 | Q | 27.3 | Very low | 27 | Very low | 162 Ų | 162 | 123.4 Ų | 123.4 | 76% | 0.757 | 78% | 0.781 | S | S | * | * | cis | -166.9 | 146.5 | -25 | -138.7 | -178.7 | 31.5 | 0 | 0 | 109.8 | ||||
| 1265 | N | 26 | Very low | 26.9 | Very low | 142 Ų | 142 | 121.4 Ų | 121.4 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 68.1 | 146.1 | 151.3 | -154.5 | 15.5 | 0 | 0 | 0 | 121.1 | ||||
| 1266 | S | 26.3 | Very low | 26.8 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 60.5 | 148.5 | 174 | 68.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1267 | G | 25 | Very low | 26.6 | Very low | 66 Ų | 66 | 125.8 Ų | 125.8 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | cis | 167.3 | 137.7 | -9.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1268 | N | 27.1 | Very low | 26.7 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | 65.2 | 158.8 | 180 | -63.3 | -4.6 | 0 | 0 | 0 | 117.1 | ||||
| 1269 | S | 26.2 | Very low | 26.6 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | cis | -169.2 | 152.9 | -39.2 | -162.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1270 | A | 28.3 | Very low | 26.7 | Very low | 106 Ų | 106 | 124.5 Ų | 124.5 | 88% | 0.876 | 78% | 0.776 | S | S | * | * | trans | 59.5 | 149.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1271 | G | 28.3 | Very low | 26.5 | Very low | 77 Ų | 77 | 122.5 Ų | 122.5 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | cis | -133.6 | 170 | -16.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1272 | G | 26.7 | Very low | 26.5 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | cis | 89 | 118.3 | 42.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1273 | S | 27.6 | Very low | 26.4 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 78% | 0.783 | 75% | 0.752 | S | S | * | * | cis | -160 | 173.1 | 11.2 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1274 | H | 26.3 | Very low | 26.2 | Very low | 173 Ų | 173 | 128.2 Ų | 128.2 | 80% | 0.801 | 76% | 0.764 | S | S | * | * | trans | 6.9 | 149 | 145.4 | -67.7 | -94.6 | 0 | 0 | 0 | 120.5 | ||||
| 1275 | C | 23.9 | Very low | 26.1 | Very low | 92 Ų | 92 | 125 Ų | 125 | 62% | 0.622 | 76% | 0.764 | S | S | * | * | cis | -164.9 | 156.9 | 11.9 | -132.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1276 | R | 24.3 | Very low | 26 | Very low | 224 Ų | 224 | 122.8 Ų | 122.8 | 85% | 0.845 | 77% | 0.766 | S | S | * | * | trans | 34.6 | 127.2 | 145.1 | -71.5 | 177.8 | -179.5 | -173.4 | 0.9 | 123.1 | ||||
| 1277 | L | 26 | Very low | 26 | Very low | 166 Ų | 166 | 121.7 Ų | 121.7 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | trans | 52.8 | 135.1 | 130.9 | -115.3 | 68.3 | 0 | 0 | 0 | 119.3 | ||||
| 1278 | V | 25.4 | Very low | 26.1 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | -157.6 | 161.7 | 51.3 | 169.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1279 | Q | 25.9 | Very low | 26.1 | Very low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | -23.3 | 137.7 | 165.8 | -56.2 | 161.1 | -14.3 | 0 | 0 | 117 | ||||
| 1280 | S | 26.2 | Very low | 26.1 | Very low | 118 Ų | 118 | 122.2 Ų | 122.2 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | 173.7 | -166.9 | 90.6 | 52.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1281 | S | 26.5 | Very low | 26 | Very low | 55 Ų | 55 | 126.5 Ų | 126.5 | 39% | 0.385 | 77% | 0.769 | S | S | . | * | trans | -106.1 | 166.8 | -152.1 | -47 | 0 | 0 | 0 | 0 | 117.3 | S1244 N1245 | S1244-S1281 PolarHBondContact OG-OG 3.44Å; N1245-S1281 PolarHBondContact ND2-OG 3.49Å; N1245-S1281 VanDerWaalsContact ND2-OG 3.13Å; N1245-S1281 PolarHBondContact OD1-OG 3.45Å | ||
| 1282 | N | 26.5 | Very low | 26 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | 87.4 | 98.2 | 156.9 | -66.2 | -14.7 | 0 | 0 | 0 | 121.8 | ||||
| 1283 | A | 26.5 | Very low | 26.4 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 69% | 0.694 | 77% | 0.765 | S | S | * | * | 85.1 | 155.1 | 109.5 | 0 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1284 | Y | 24.8 | Very low | 26.2 | Very low | 233 Ų | 233 | 130.2 Ų | 130.2 | 91% | 0.914 | 76% | 0.762 | S | S | * | * | trans | 80.3 | 125.8 | 169.1 | -69.2 | -77.3 | 0 | 0 | 0 | 120.7 | ||||
| 1285 | A | 24.5 | Very low | 26.1 | Very low | 93 Ų | 93 | 127.2 Ų | 127.2 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | trans | -64.7 | 157.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1286 | A | 24.6 | Very low | 26.1 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | 162.3 | 160.4 | 114.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1287 | A | 25.8 | Very low | 26.7 | Very low | 94 Ų | 94 | 127.6 Ų | 127.6 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | 65.4 | 114.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1288 | N | 27.1 | Very low | 26.9 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 91% | 0.909 | 76% | 0.755 | S | S | * | * | trans | -9.3 | 147.1 | 133.2 | -40.9 | -11.8 | 0 | 0 | 0 | 117.7 | ||||
| 1289 | G | 26.3 | Very low | 27.3 | Very low | 71 Ų | 71 | 126.9 Ų | 126.9 | 73% | 0.732 | 76% | 0.756 | S | S | * | * | trans | 154.7 | 98.9 | 152.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1290 | C | 26.8 | Very low | 27.4 | Very low | 111 Ų | 111 | 123.8 Ų | 123.8 | 75% | 0.75 | 75% | 0.747 | S | S | * | * | trans | 6.9 | 142.7 | 149.2 | 49.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1291 | E | 25.9 | Very low | 27.6 | Very low | 196 Ų | 196 | 127.2 Ų | 127.2 | 92% | 0.916 | 75% | 0.748 | S | S | * | * | trans | 93.5 | 167.3 | 140.7 | -76.2 | 161.7 | -154.2 | 0 | 0 | 122.1 | ||||
| 1292 | N | 29.4 | Very low | 27.7 | Very low | 153 Ų | 153 | 129.4 Ų | 129.4 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -116.7 | -178.9 | -152.8 | -127.4 | -10.5 | 0 | 0 | 0 | 109.8 | ||||
| 1293 | P | 33.6 | Very low | 28 | Very low | 104 Ų | 104 | 129.1 Ų | 129.1 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | -137.4 | -177.5 | -14 | 41.3 | -23.8 | 0 | 0 | 0 | 115.3 | ||||
| 1294 | A | 24.6 | Very low | 28.1 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 76.2 | 159.1 | 142.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1295 | C | 23.4 | Very low | 28.3 | Very low | 109 Ų | 109 | 128.6 Ų | 128.6 | 74% | 0.736 | 75% | 0.752 | S | S | * | * | trans | 51.6 | 103.6 | 161 | 39.5 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1296 | H | 24.6 | Very low | 29 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | 51.8 | 106.7 | 127.6 | -64.6 | -77.2 | 0 | 0 | 0 | 122.8 | |||||
| 1297 | H | 37.4 | Very low | 29.3 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 66% | 0.657 | 75% | 0.745 | S | S | * | * | 41.3 | 148.2 | 115 | -126.5 | -22.9 | 0 | 0 | 0 | 121.6 | |||||
| 1298 | P | 28.7 | Very low | 29.6 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | -135.9 | 167 | 105.2 | 39 | -31.5 | 0 | 0 | 0 | 115.4 | |||||
| 1299 | Q | 33.4 | Very low | 30.2 | Very low | 147 Ų | 147 | 129.6 Ų | 129.6 | 69% | 0.687 | 74% | 0.744 | S | S | * | * | trans | -92.2 | -160.4 | 165.9 | -59.4 | -176.6 | -11.5 | 0 | 0 | 108.7 | ||||
| 1300 | V | 28.1 | Very low | 30.3 | Very low | 95 Ų | 95 | 131.1 Ų | 131.1 | 58% | 0.576 | 74% | 0.744 | S | S | * | * | cis | -139.9 | -162.5 | 3.1 | -130 | 0 | 0 | 0 | 0 | 107 | ||||
| 1301 | F | 30.3 | Very low | 30.5 | Very low | 190 Ų | 190 | 133.1 Ų | 133.1 | 83% | 0.833 | 75% | 0.746 | S | S | * | * | cis | -149.2 | -175.1 | 17.8 | -75.7 | -84.8 | 0 | 0 | 0 | 107.9 | ||||
| 1302 | S | 30.4 | Very low | 30.6 | Very low | 100 Ų | 100 | 128.2 Ų | 128.2 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | cis | 170.7 | 141.6 | -43.7 | -172.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1303 | L | 31 | Very low | 30.6 | Very low | 140 Ų | 140 | 128.2 Ų | 128.2 | 73% | 0.733 | 73% | 0.733 | S | S | * | * | trans | -161.7 | 123.7 | 148 | -161.7 | 65.6 | 0 | 0 | 0 | 110.6 | ||||
| 1304 | E | 28.9 | Very low | 30.3 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | trans | 46.5 | 136.7 | 151.8 | -68 | 160.4 | -179.4 | 0 | 0 | 121.1 | ||||
| 1305 | E | 30.3 | Very low | 30.4 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 72% | 0.715 | 74% | 0.737 | S | S | * | * | cis | -176 | -174.7 | -11.5 | -121.9 | -161.7 | 145.2 | 0 | 0 | 107.9 | ||||
| 1306 | P | 38.6 | Very low | 30.5 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 56% | 0.558 | 73% | 0.731 | S | S | * | * | cis | -125.6 | 146.3 | -44 | 23.9 | -5.1 | 0 | 0 | 0 | 113.7 | ||||
| 1307 | H | 31 | Very low | 30.9 | Very low | 187 Ų | 187 | 125.9 Ų | 125.9 | 87% | 0.866 | 73% | 0.726 | S | S | * | * | trans | 67.6 | 155.6 | 141.6 | -60.1 | 35.3 | 0 | 0 | 0 | 119.5 | ||||
| 1308 | G | 33 | Very low | 30.6 | Very low | 75 Ų | 75 | 124.5 Ų | 124.5 | 77% | 0.773 | 73% | 0.733 | S | S | * | * | trans | 160.1 | -5.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | S1310 | G1308-S1310 PolarHBondContact O-N 2.92Å; G1308-S1310 VanDerWaalsContact O-N 3.13Å | ||
| 1309 | S | 37.8 | Very low | 30.6 | Very low | 126 Ų | 126 | 124.1 Ų | 124.1 | 88% | 0.881 | 73% | 0.733 | S | S | * | * | trans | -70.3 | 103.3 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1310 | S | 29.7 | Very low | 30.4 | Very low | 104 Ų | 104 | 124.7 Ų | 124.7 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | trans | -148.8 | 122.6 | 171 | -96.4 | 0 | 0 | 0 | 0 | 113.9 | G1308 | G1308-S1310 PolarHBondContact O-N 2.92Å; G1308-S1310 VanDerWaalsContact O-N 3.13Å | ||
| 1311 | L | 30.4 | Very low | 30.6 | Very low | 152 Ų | 152 | 131.1 Ų | 131.1 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | 65.5 | 102.6 | 140.4 | -55.4 | 177.2 | 0 | 0 | 0 | 120.2 | ||||
| 1312 | S | 28.8 | Very low | 31 | Very low | 93 Ų | 93 | 125.4 Ų | 125.4 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | 67.4 | 126 | 107.2 | -58.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1313 | L | 28.4 | Very low | 31.7 | Very low | 154 Ų | 154 | 123.3 Ų | 123.3 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | 68.8 | 107.8 | 135.3 | -60.7 | 169.8 | 0 | 0 | 0 | 119.8 | ||||
| 1314 | S | 27.4 | Very low | 33 | Very low | 103 Ų | 103 | 119.5 Ų | 119.5 | 72% | 0.72 | 71% | 0.713 | S | S | * | * | 71.1 | 128.2 | 128.2 | -51.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1315 | S | 26.2 | Very low | 35 | Very low | 107 Ų | 107 | 117.3 Ų | 117.3 | 75% | 0.748 | 70% | 0.703 | S | S | * | * | 126.9 | 144.7 | 128.9 | -63.4 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1316 | T | 25.8 | Very low | 36.9 | Very low | 100 Ų | 100 | 113.6 Ų | 113.6 | 61% | 0.613 | 69% | 0.688 | S | S | * | * | trans | 55.1 | 111.8 | 150 | 38.9 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1317 | T | 33.2 | Very low | 38.3 | Very low | 122 Ų | 122 | 117.5 Ų | 117.5 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | -0.2 | 146.5 | 127.8 | 52.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1318 | S | 31.9 | Very low | 40.5 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | trans | 97.8 | 169.6 | 158.3 | 85.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1319 | S | 28 | Very low | 42.6 | Very low | 108 Ų | 108 | 116.3 Ų | 116.3 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | trans | 62.9 | 124.2 | -158.2 | 77.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 1320 | L | 30.1 | Very low | 44.5 | Very low | 158 Ų | 158 | 113.8 Ų | 113.8 | 83% | 0.827 | 64% | 0.64 | S | S | * | * | cis | 65.1 | 127.5 | 14 | -56 | 175.8 | 0 | 0 | 0 | 115 | ||||
| 1321 | Y | 30.9 | Very low | 46.6 | Very low | 230 Ų | 230 | 113.1 Ų | 113.1 | 90% | 0.902 | 63% | 0.626 | S | S | * | * | trans | 65.1 | 68 | -174.6 | -62.8 | -81.8 | 0 | 0 | 0 | 117.1 | ||||
| 1322 | S | 38.6 | Very low | 48.9 | Very low | 70 Ų | 70 | 109.7 Ų | 109.7 | 49% | 0.49 | 61% | 0.607 | S | S | . | * | trans | -72.9 | 125 | 140.6 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | D1326 | S1322-D1326 VanDerWaalsContact OG-CB 3.23Å; S1322-D1326 WeakPolarHBondContact OG-CB 3.43Å | ||
| 1323 | S | 45.4 | Very low | 51.4 | Low | 56 Ų | 56 | 111.2 Ų | 111.2 | 39% | 0.392 | 60% | 0.599 | S | S | . | * | trans | -60.4 | 158.4 | -168.8 | -179.1 | 0 | 0 | 0 | 0 | 112.6 | E1325 D1326 R1327 | S1323-E1325 PolarHBondContact O-N 2.98Å; S1323-E1325 PolarHBondContact OG-N 3.41Å; S1323-E1325 VanDerWaalsContact OG-N 3.14Å; S1323-D1326 PolarHBondContact N-OD2 3.05Å; S1323-D1326 PolarHBondContact O-N 3.19Å; S1323-D1326 VanDerWaalsContact O-N 3.14Å; S1323-R1327 WeakPolarHBondContact O-CG 3.29Å; S1323-R1327 PolarHBondContact O-N 3.39Å | ||
| 1324 | A | 58.4 | Low | 54 | Low | 61 Ų | 61 | 108.2 Ų | 108.2 | 50% | 0.504 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -54 | -36.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | R1327 Y1328 | A1324-R1327 WeakPolarHBondContact O-CB 3.45Å; A1324-R1327 PolarHBondContact O-N 3.01Å; A1324-Y1328 HydrophobicContact CB-CE2 4.27Å; A1324-Y1328 WeakPolarHBondContact O-CD2 3.25Å; A1324-Y1328 PolarHBondContact O-N 2.87Å |
| 1325 | E | 71.9 | Confident | 56.7 | Low | 105 Ų | 105 | 107.7 Ų | 107.7 | 49% | 0.491 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.6 | -38.8 | 176.5 | -168.2 | 55.3 | -147.8 | 0 | 0 | 112.8 | S1323 R1327 Y1328 Q1329 | S1323-E1325 PolarHBondContact O-N 2.98Å; S1323-E1325 PolarHBondContact OG-N 3.41Å; S1323-E1325 VanDerWaalsContact OG-N 3.14Å; E1325-R1327 VanDerWaalsContact C-N 3.32Å; E1325-R1327 PolarHBondContact O-N 2.87Å; E1325-Y1328 CarbonylContact O-C 3.57Å; E1325-Y1328 PolarHBondContact O-N 3.45Å; E1325-Q1329 VanDerWaalsContact O-CB 3.3Å; E1325-Q1329 WeakPolarHBondContact O-CB 3.23Å; E1325-Q1329 WeakPolarHBondContact O-CG 3.45Å; E1325-Q1329 PolarHBondContact O-N 3.36Å |
| 1326 | D | 69.6 | Low | 59.6 | Low | 76 Ų | 76 | 108.3 Ų | 108.3 | 41% | 0.406 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -66.6 | -35.3 | 173.9 | -76.3 | -54.5 | 0 | 0 | 0 | 112.3 | S1322 S1323 Q1329 T1330 | S1322-D1326 VanDerWaalsContact OG-CB 3.23Å; S1322-D1326 WeakPolarHBondContact OG-CB 3.43Å; S1323-D1326 PolarHBondContact N-OD2 3.05Å; S1323-D1326 PolarHBondContact O-N 3.19Å; S1323-D1326 VanDerWaalsContact O-N 3.14Å; D1326-Q1329 PolarHBondContact O-N 3.19Å; D1326-T1330 WeakPolarHBondContact O-CB 3.39Å; D1326-T1330 WeakPolarHBondContact O-CG2 3.28Å; D1326-T1330 PolarHBondContact O-N 3.33Å; D1326-T1330 PolarHBondContact O-OG1 2.89Å |
| 1327 | R | 67.3 | Low | 62.4 | Low | 168 Ų | 168 | 111.5 Ų | 111.5 | 63% | 0.634 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.7 | -45 | 172.5 | -65.5 | -176.1 | -169.4 | -147.2 | 2.2 | 110.4 | S1323 A1324 E1325 T1330 E1331 | S1323-R1327 WeakPolarHBondContact O-CG 3.29Å; S1323-R1327 PolarHBondContact O-N 3.39Å; A1324-R1327 WeakPolarHBondContact O-CB 3.45Å; A1324-R1327 PolarHBondContact O-N 3.01Å; E1325-R1327 VanDerWaalsContact C-N 3.32Å; E1325-R1327 PolarHBondContact O-N 2.87Å; R1327-T1330 WeakPolarHBondContact CA-OG1 3.3Å; R1327-T1330 PolarHBondContact O-N 2.74Å; R1327-T1330 PolarHBondContact O-OG1 3.39Å; R1327-T1330 VanDerWaalsContact O-OG1 3.12Å; R1327-E1331 WeakPolarHBondContact O-CB 3.14Å; R1327-E1331 PolarHBondContact O-N 2.82Å |
| 1328 | Y | 77.7 | Confident | 64.7 | Low | 146 Ų | 146 | 109.2 Ų | 109.2 | 57% | 0.573 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 172.8 | -66.2 | -50.5 | 0 | 0 | 0 | 111.8 | A1324 E1325 T1330 E1331 I1332 | A1324-Y1328 HydrophobicContact CB-CE2 4.27Å; A1324-Y1328 WeakPolarHBondContact O-CD2 3.25Å; A1324-Y1328 PolarHBondContact O-N 2.87Å; E1325-Y1328 CarbonylContact O-C 3.57Å; E1325-Y1328 PolarHBondContact O-N 3.45Å; Y1328-T1330 VanDerWaalsContact C-N 3.31Å; Y1328-T1330 PolarHBondContact O-N 3.15Å; Y1328-E1331 PolarHBondContact O-N 3.32Å; Y1328-I1332 WeakPolarHBondContact O-CB 3.44Å; Y1328-I1332 WeakPolarHBondContact O-CD1 3.25Å; Y1328-I1332 WeakPolarHBondContact O-CG1 3.19Å; Y1328-I1332 PolarHBondContact O-N 2.66Å |
| 1329 | Q | 77.3 | Confident | 67.2 | Low | 90 Ų | 90 | 107.1 Ų | 107.1 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -36 | 174.8 | -76.1 | -89.6 | -10.6 | 0 | 0 | 113.3 | E1325 D1326 R1333 | E1325-Q1329 VanDerWaalsContact O-CB 3.3Å; E1325-Q1329 WeakPolarHBondContact O-CB 3.23Å; E1325-Q1329 WeakPolarHBondContact O-CG 3.45Å; E1325-Q1329 PolarHBondContact O-N 3.36Å; D1326-Q1329 PolarHBondContact O-N 3.19Å; Q1329-R1333 WeakPolarHBondContact O-CB 3.12Å; Q1329-R1333 VanDerWaalsContact O-CG 3.26Å; Q1329-R1333 WeakPolarHBondContact O-CG 3.23Å; Q1329-R1333 PolarHBondContact O-N 3.25Å; Q1329-R1333 VanDerWaalsContact O-N 3.12Å; Q1329-R1333 PolarHBondContact O-NE 2.83Å |
| 1330 | T | 77.6 | Confident | 69.8 | Low | 74 Ų | 74 | 106.9 Ų | 106.9 | 45% | 0.454 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -82.6 | -36.4 | 177.8 | 47.8 | 0 | 0 | 0 | 0 | 112.5 | D1326 R1327 Y1328 R1333 K1334 | D1326-T1330 WeakPolarHBondContact O-CB 3.39Å; D1326-T1330 WeakPolarHBondContact O-CG2 3.28Å; D1326-T1330 PolarHBondContact O-N 3.33Å; D1326-T1330 PolarHBondContact O-OG1 2.89Å; R1327-T1330 WeakPolarHBondContact CA-OG1 3.3Å; R1327-T1330 PolarHBondContact O-N 2.74Å; R1327-T1330 PolarHBondContact O-OG1 3.39Å; R1327-T1330 VanDerWaalsContact O-OG1 3.12Å; Y1328-T1330 VanDerWaalsContact C-N 3.31Å; Y1328-T1330 PolarHBondContact O-N 3.15Å; T1330-R1333 PolarHBondContact O-N 2.91Å; T1330-K1334 VanDerWaalsContact O-CB 3.27Å; T1330-K1334 WeakPolarHBondContact O-CB 3.5Å; T1330-K1334 PolarHBondContact O-N 3.12Å |
| 1331 | E | 74.2 | Confident | 72.4 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 42% | 0.416 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -42.5 | 171.5 | -157.4 | 79.3 | -110.2 | 0 | 0 | 110.7 | R1327 Y1328 K1334 L1335 | R1327-E1331 WeakPolarHBondContact O-CB 3.14Å; R1327-E1331 PolarHBondContact O-N 2.82Å; Y1328-E1331 PolarHBondContact O-N 3.32Å; E1331-K1334 CarbonylContact O-C 3.58Å; E1331-K1334 WeakPolarHBondContact O-CB 3.23Å; E1331-K1334 PolarHBondContact O-N 2.66Å; E1331-K1334 WeakPolarHBondContact OE1-CD 3.27Å; E1331-K1334 WeakPolarHBondContact OE1-CE 3.3Å; E1331-K1334 IonicContact OE1-NZ 3.29Å; E1331-K1334 PolarHBondContact OE1-NZ 3Å; E1331-L1335 HydrophobicContact CG-CD1 4.33Å; E1331-L1335 WeakPolarHBondContact O-CB 3.38Å; E1331-L1335 VanDerWaalsContact O-CG 3.23Å; E1331-L1335 WeakPolarHBondContact O-CG 3.36Å; E1331-L1335 PolarHBondContact O-N 2.91Å |
| 1332 | I | 77.3 | Confident | 74.9 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 41% | 0.41 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 172.7 | -71.9 | 164.3 | 0 | 0 | 0 | 110.6 | Y1328 K1334 L1335 H1336 | Y1328-I1332 WeakPolarHBondContact O-CB 3.44Å; Y1328-I1332 WeakPolarHBondContact O-CD1 3.25Å; Y1328-I1332 WeakPolarHBondContact O-CG1 3.19Å; Y1328-I1332 PolarHBondContact O-N 2.66Å; I1332-K1334 VanDerWaalsContact C-N 3.3Å; I1332-K1334 PolarHBondContact O-N 3.32Å; I1332-L1335 PolarHBondContact O-N 3.41Å; I1332-H1336 VanDerWaalsContact CG2-CE1 3.43Å; I1332-H1336 WeakPolarHBondContact CG2-CE1 3.2Å; I1332-H1336 WeakPolarHBondContact O-CB 3.48Å; I1332-H1336 PolarHBondContact O-N 2.85Å; I1332-H1336 PolarHBondContact O-ND1 3.4Å |
| 1333 | R | 82.1 | Confident | 77.1 | Confident | 125 Ų | 125 | 100.6 Ų | 100.6 | 47% | 0.472 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.6 | -31.9 | 175.4 | -78.7 | 178.3 | -74.2 | 174 | -6.4 | 112.8 | Q1329 T1330 R1337 | Q1329-R1333 WeakPolarHBondContact O-CB 3.12Å; Q1329-R1333 VanDerWaalsContact O-CG 3.26Å; Q1329-R1333 WeakPolarHBondContact O-CG 3.23Å; Q1329-R1333 PolarHBondContact O-N 3.25Å; Q1329-R1333 VanDerWaalsContact O-N 3.12Å; Q1329-R1333 PolarHBondContact O-NE 2.83Å; T1330-R1333 PolarHBondContact O-N 2.91Å; R1333-R1337 WeakPolarHBondContact O-CG 3.35Å; R1333-R1337 PolarHBondContact O-N 3.43Å |
| 1334 | K | 83.8 | Confident | 79 | Confident | 92 Ų | 92 | 103.9 Ų | 103.9 | 40% | 0.4 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.7 | -49.4 | 172.9 | 171 | -174.5 | 154.4 | -152.2 | 0 | 111.3 | T1330 E1331 I1332 H1336 R1337 E1338 | T1330-K1334 VanDerWaalsContact O-CB 3.27Å; T1330-K1334 WeakPolarHBondContact O-CB 3.5Å; T1330-K1334 PolarHBondContact O-N 3.12Å; E1331-K1334 CarbonylContact O-C 3.58Å; E1331-K1334 WeakPolarHBondContact O-CB 3.23Å; E1331-K1334 PolarHBondContact O-N 2.66Å; E1331-K1334 WeakPolarHBondContact OE1-CD 3.27Å; E1331-K1334 WeakPolarHBondContact OE1-CE 3.3Å; E1331-K1334 IonicContact OE1-NZ 3.29Å; E1331-K1334 PolarHBondContact OE1-NZ 3Å; I1332-K1334 VanDerWaalsContact C-N 3.3Å; I1332-K1334 PolarHBondContact O-N 3.32Å; K1334-H1336 VanDerWaalsContact C-N 3.31Å; K1334-H1336 PolarHBondContact O-N 3.27Å; K1334-R1337 WeakPolarHBondContact O-CB 3.46Å; K1334-R1337 PolarHBondContact O-N 3.39Å; K1334-E1338 WeakPolarHBondContact CE-OE1 3.33Å; K1334-E1338 WeakPolarHBondContact CG-OE1 3.27Å; K1334-E1338 PolarHBondContact O-N 2.97Å |
| 1335 | L | 83.6 | Confident | 80.3 | Confident | 92 Ų | 92 | 106.1 Ų | 106.1 | 48% | 0.482 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.2 | -39.9 | 176.3 | -73.3 | 168.5 | 0 | 0 | 0 | 111.6 | E1331 I1332 R1337 E1338 V1339 | E1331-L1335 HydrophobicContact CG-CD1 4.33Å; E1331-L1335 WeakPolarHBondContact O-CB 3.38Å; E1331-L1335 VanDerWaalsContact O-CG 3.23Å; E1331-L1335 WeakPolarHBondContact O-CG 3.36Å; E1331-L1335 PolarHBondContact O-N 2.91Å; I1332-L1335 PolarHBondContact O-N 3.41Å; L1335-R1337 PolarHBondContact O-N 2.83Å; L1335-E1338 PolarHBondContact O-N 2.9Å; L1335-V1339 WeakPolarHBondContact O-CB 3.45Å; L1335-V1339 VanDerWaalsContact O-CG2 3.26Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.23Å; L1335-V1339 PolarHBondContact O-N 3.45Å |
| 1336 | H | 86.5 | Confident | 81 | Confident | 119 Ų | 119 | 105.3 Ų | 105.3 | 55% | 0.551 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -60.7 | -42.4 | 172.2 | -75.5 | 139.4 | 0 | 0 | 0 | 112.6 | I1332 K1334 V1339 E1340 | I1332-H1336 VanDerWaalsContact CG2-CE1 3.43Å; I1332-H1336 WeakPolarHBondContact CG2-CE1 3.2Å; I1332-H1336 WeakPolarHBondContact O-CB 3.48Å; I1332-H1336 PolarHBondContact O-N 2.85Å; I1332-H1336 PolarHBondContact O-ND1 3.4Å; K1334-H1336 VanDerWaalsContact C-N 3.31Å; K1334-H1336 PolarHBondContact O-N 3.27Å; H1336-V1339 PolarHBondContact O-N 3.14Å; H1336-E1340 PolarHBondContact O-N 2.87Å |
| 1337 | R | 84.9 | Confident | 81.8 | Confident | 167 Ų | 167 | 108.1 Ų | 108.1 | 63% | 0.63 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.4 | -41.8 | 173.9 | -67.3 | -179.1 | -158.4 | 123.3 | -2.4 | 112.1 | R1333 K1334 L1335 E1340 I1341 | R1333-R1337 WeakPolarHBondContact O-CG 3.35Å; R1333-R1337 PolarHBondContact O-N 3.43Å; K1334-R1337 WeakPolarHBondContact O-CB 3.46Å; K1334-R1337 PolarHBondContact O-N 3.39Å; L1335-R1337 PolarHBondContact O-N 2.83Å; R1337-E1340 PolarHBondContact O-N 3.18Å; R1337-I1341 WeakPolarHBondContact O-CD1 3.48Å; R1337-I1341 VanDerWaalsContact O-CG1 3.28Å; R1337-I1341 WeakPolarHBondContact O-CG1 3.46Å; R1337-I1341 PolarHBondContact O-N 2.68Å |
| 1338 | E | 81.2 | Confident | 82.6 | Confident | 74 Ų | 74 | 103.3 Ų | 103.3 | 35% | 0.346 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 177 | -71.8 | -177.5 | -148.9 | 0 | 0 | 111.2 | K1334 L1335 E1340 I1341 Y1342 | K1334-E1338 WeakPolarHBondContact CE-OE1 3.33Å; K1334-E1338 WeakPolarHBondContact CG-OE1 3.27Å; K1334-E1338 PolarHBondContact O-N 2.97Å; L1335-E1338 PolarHBondContact O-N 2.9Å; E1338-E1340 PolarHBondContact O-N 3.44Å; E1338-I1341 PolarHBondContact O-N 3.06Å; E1338-Y1342 HydrophobicContact CB-CE2 4.35Å; E1338-Y1342 WeakPolarHBondContact O-CD2 3.39Å; E1338-Y1342 PolarHBondContact O-N 3.29Å |
| 1339 | V | 84.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 101.4 Ų | 101.4 | 42% | 0.418 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 173 | 165.5 | 0 | 0 | 0 | 0 | 111.7 | L1335 H1336 Y1342 K1343 | L1335-V1339 WeakPolarHBondContact O-CB 3.45Å; L1335-V1339 VanDerWaalsContact O-CG2 3.26Å; L1335-V1339 WeakPolarHBondContact O-CG2 3.23Å; L1335-V1339 PolarHBondContact O-N 3.45Å; H1336-V1339 PolarHBondContact O-N 3.14Å; V1339-Y1342 CarbonylContact O-C 3.53Å; V1339-Y1342 PolarHBondContact O-N 2.87Å; V1339-K1343 HydrophobicContact CG1-CD 4.46Å; V1339-K1343 WeakPolarHBondContact O-CG 3.48Å; V1339-K1343 PolarHBondContact O-N 3.32Å |
| 1340 | E | 82.8 | Confident | 83.2 | Confident | 103 Ų | 103 | 100.9 Ų | 100.9 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 177 | -134.7 | 62 | -147.1 | 0 | 0 | 112.1 | H1336 R1337 E1338 Y1342 K1343 E1344 | H1336-E1340 PolarHBondContact O-N 2.87Å; R1337-E1340 PolarHBondContact O-N 3.18Å; E1338-E1340 PolarHBondContact O-N 3.44Å; E1340-Y1342 VanDerWaalsContact C-N 3.31Å; E1340-Y1342 PolarHBondContact O-N 2.94Å; E1340-K1343 VanDerWaalsContact CD-CD 3.47Å; E1340-K1343 HydrophobicContact CG-CD 4.5Å; E1340-K1343 WeakPolarHBondContact O-CB 3.2Å; E1340-K1343 PolarHBondContact O-N 2.89Å; E1340-K1343 WeakPolarHBondContact OE1-CD 3.21Å; E1340-K1343 IonicContact OE1-NZ 2.88Å; E1340-K1343 PolarHBondContact OE1-NZ 3.14Å; E1340-K1343 IonicContact OE2-NZ 3.9Å; E1340-K1343 PolarHBondContact OE2-NZ 3.27Å; E1340-E1344 PolarHBondContact O-N 3.13Å |
| 1341 | I | 84.9 | Confident | 83.7 | Confident | 79 Ų | 79 | 101.4 Ų | 101.4 | 41% | 0.405 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 171 | -69.2 | 164.4 | 0 | 0 | 0 | 111.2 | R1337 E1338 K1345 | R1337-I1341 WeakPolarHBondContact O-CD1 3.48Å; R1337-I1341 VanDerWaalsContact O-CG1 3.28Å; R1337-I1341 WeakPolarHBondContact O-CG1 3.46Å; R1337-I1341 PolarHBondContact O-N 2.68Å; E1338-I1341 PolarHBondContact O-N 3.06Å; I1341-K1345 HydrophobicContact CG2-CD 4.11Å; I1341-K1345 WeakPolarHBondContact O-CB 3.31Å; I1341-K1345 WeakPolarHBondContact O-CD 3.27Å; I1341-K1345 VanDerWaalsContact O-CG 3.22Å; I1341-K1345 WeakPolarHBondContact O-CG 3.4Å; I1341-K1345 PolarHBondContact O-N 2.88Å |
| 1342 | Y | 83.6 | Confident | 84.1 | Confident | 138 Ų | 138 | 101.7 Ų | 101.7 | 54% | 0.541 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -70.9 | -38.5 | 173.9 | -75.5 | -60.6 | 0 | 0 | 0 | 112.3 | E1338 V1339 E1340 K1345 V1346 | E1338-Y1342 HydrophobicContact CB-CE2 4.35Å; E1338-Y1342 WeakPolarHBondContact O-CD2 3.39Å; E1338-Y1342 PolarHBondContact O-N 3.29Å; V1339-Y1342 CarbonylContact O-C 3.53Å; V1339-Y1342 PolarHBondContact O-N 2.87Å; E1340-Y1342 VanDerWaalsContact C-N 3.31Å; E1340-Y1342 PolarHBondContact O-N 2.94Å; Y1342-K1345 HydrophobicContact CD1-CD 4.25Å; Y1342-K1345 PolarHBondContact O-N 2.84Å; Y1342-V1346 WeakPolarHBondContact O-CB 3.45Å; Y1342-V1346 VanDerWaalsContact O-CG2 3.29Å; Y1342-V1346 WeakPolarHBondContact O-CG2 3.47Å; Y1342-V1346 PolarHBondContact O-N 3.29Å |
| 1343 | K | 84.9 | Confident | 84.4 | Confident | 109 Ų | 109 | 104.6 Ų | 104.6 | 47% | 0.474 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 170.8 | -73.2 | 167 | 177.1 | 170.1 | 0 | 111.3 | V1339 E1340 K1345 V1346 Q1347 | V1339-K1343 HydrophobicContact CG1-CD 4.46Å; V1339-K1343 WeakPolarHBondContact O-CG 3.48Å; V1339-K1343 PolarHBondContact O-N 3.32Å; E1340-K1343 VanDerWaalsContact CD-CD 3.47Å; E1340-K1343 HydrophobicContact CG-CD 4.5Å; E1340-K1343 WeakPolarHBondContact O-CB 3.2Å; E1340-K1343 PolarHBondContact O-N 2.89Å; E1340-K1343 WeakPolarHBondContact OE1-CD 3.21Å; E1340-K1343 IonicContact OE1-NZ 2.88Å; E1340-K1343 PolarHBondContact OE1-NZ 3.14Å; E1340-K1343 IonicContact OE2-NZ 3.9Å; E1340-K1343 PolarHBondContact OE2-NZ 3.27Å; K1343-K1345 PolarHBondContact O-N 3.28Å; K1343-V1346 PolarHBondContact O-N 2.84Å; K1343-Q1347 WeakPolarHBondContact O-CB 3.4Å; K1343-Q1347 PolarHBondContact O-N 3.45Å |
| 1344 | E | 84.2 | Confident | 84.5 | Confident | 125 Ų | 125 | 101.5 Ų | 101.5 | 58% | 0.584 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.8 | -41 | 177.9 | -172.4 | -179.3 | -154.3 | 0 | 0 | 111.6 | E1340 Q1347 T1348 | E1340-E1344 PolarHBondContact O-N 3.13Å; E1344-Q1347 PolarHBondContact O-N 2.83Å; E1344-T1348 VanDerWaalsContact O-CB 3.27Å; E1344-T1348 WeakPolarHBondContact O-CB 3.47Å; E1344-T1348 PolarHBondContact O-N 3.25Å; E1344-T1348 PolarHBondContact O-OG1 2.77Å |
| 1345 | K | 85.7 | Confident | 84.5 | Confident | 108 Ų | 108 | 100.9 Ų | 100.9 | 47% | 0.47 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 172.4 | -75.1 | 166.6 | -176.4 | 169.2 | 0 | 112.1 | I1341 Y1342 K1343 T1348 L1349 | I1341-K1345 HydrophobicContact CG2-CD 4.11Å; I1341-K1345 WeakPolarHBondContact O-CB 3.31Å; I1341-K1345 WeakPolarHBondContact O-CD 3.27Å; I1341-K1345 VanDerWaalsContact O-CG 3.22Å; I1341-K1345 WeakPolarHBondContact O-CG 3.4Å; I1341-K1345 PolarHBondContact O-N 2.88Å; Y1342-K1345 HydrophobicContact CD1-CD 4.25Å; Y1342-K1345 PolarHBondContact O-N 2.84Å; K1343-K1345 PolarHBondContact O-N 3.28Å; K1345-T1348 PolarHBondContact O-N 3.11Å; K1345-L1349 WeakPolarHBondContact O-CB 3.25Å; K1345-L1349 VanDerWaalsContact O-CG 3.28Å; K1345-L1349 WeakPolarHBondContact O-CG 3.1Å; K1345-L1349 PolarHBondContact O-N 2.8Å |
| 1346 | V | 86.2 | Confident | 84.5 | Confident | 88 Ų | 88 | 103.5 Ų | 103.5 | 53% | 0.533 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.7 | 167.7 | 0 | 0 | 0 | 0 | 111 | Y1342 K1343 T1348 L1349 T1350 | Y1342-V1346 WeakPolarHBondContact O-CB 3.45Å; Y1342-V1346 VanDerWaalsContact O-CG2 3.29Å; Y1342-V1346 WeakPolarHBondContact O-CG2 3.47Å; Y1342-V1346 PolarHBondContact O-N 3.29Å; K1343-V1346 PolarHBondContact O-N 2.84Å; V1346-T1348 VanDerWaalsContact C-N 3.35Å; V1346-T1348 PolarHBondContact O-N 2.74Å; V1346-L1349 PolarHBondContact O-N 2.78Å; V1346-T1350 VanDerWaalsContact O-CB 3.29Å; V1346-T1350 WeakPolarHBondContact O-CB 3.48Å; V1346-T1350 PolarHBondContact O-N 3.02Å; V1346-T1350 PolarHBondContact O-OG1 3.3Å |
| 1347 | Q | 86.5 | Confident | 84.5 | Confident | 135 Ų | 135 | 100.6 Ų | 100.6 | 63% | 0.631 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.9 | -40.3 | 176.4 | -170.6 | 176.6 | 12.5 | 0 | 0 | 111.4 | K1343 E1344 T1350 T1351 | K1343-Q1347 WeakPolarHBondContact O-CB 3.4Å; K1343-Q1347 PolarHBondContact O-N 3.45Å; E1344-Q1347 PolarHBondContact O-N 2.83Å; Q1347-T1350 PolarHBondContact O-N 2.9Å; Q1347-T1351 WeakPolarHBondContact O-CB 3.35Å; Q1347-T1351 PolarHBondContact O-N 2.82Å; Q1347-T1351 PolarHBondContact O-OG1 3.44Å |
| 1348 | T | 84.5 | Confident | 84.5 | Confident | 68 Ų | 68 | 99 Ų | 99 | 42% | 0.417 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -47 | 174.3 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | E1344 K1345 V1346 T1351 Q1352 | E1344-T1348 VanDerWaalsContact O-CB 3.27Å; E1344-T1348 WeakPolarHBondContact O-CB 3.47Å; E1344-T1348 PolarHBondContact O-N 3.25Å; E1344-T1348 PolarHBondContact O-OG1 2.77Å; K1345-T1348 PolarHBondContact O-N 3.11Å; V1346-T1348 VanDerWaalsContact C-N 3.35Å; V1346-T1348 PolarHBondContact O-N 2.74Å; T1348-T1351 PolarHBondContact O-N 3.06Å; T1348-Q1352 WeakPolarHBondContact O-CG 3.38Å; T1348-Q1352 PolarHBondContact O-N 2.91Å |
| 1349 | L | 81.5 | Confident | 84.6 | Confident | 106 Ų | 106 | 100 Ų | 100 | 56% | 0.555 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.7 | -41.4 | 176.7 | -74.8 | 167.7 | 0 | 0 | 0 | 111.9 | K1345 V1346 T1351 Q1352 Q1353 | K1345-L1349 WeakPolarHBondContact O-CB 3.25Å; K1345-L1349 VanDerWaalsContact O-CG 3.28Å; K1345-L1349 WeakPolarHBondContact O-CG 3.1Å; K1345-L1349 PolarHBondContact O-N 2.8Å; V1346-L1349 PolarHBondContact O-N 2.78Å; L1349-T1351 VanDerWaalsContact C-N 3.33Å; L1349-T1351 PolarHBondContact O-N 3.02Å; L1349-Q1352 PolarHBondContact O-N 2.82Å; L1349-Q1353 VanDerWaalsContact O-CB 3.31Å; L1349-Q1353 WeakPolarHBondContact O-CB 3.44Å; L1349-Q1353 PolarHBondContact O-N 2.66Å |
| 1350 | T | 86.8 | Confident | 84.7 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 49% | 0.485 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -40.2 | 174.9 | -56.8 | 0 | 0 | 0 | 0 | 111 | V1346 Q1347 Q1353 S1354 | V1346-T1350 VanDerWaalsContact O-CB 3.29Å; V1346-T1350 WeakPolarHBondContact O-CB 3.48Å; V1346-T1350 PolarHBondContact O-N 3.02Å; V1346-T1350 PolarHBondContact O-OG1 3.3Å; Q1347-T1350 PolarHBondContact O-N 2.9Å; T1350-Q1353 PolarHBondContact O-N 2.67Å; T1350-S1354 WeakPolarHBondContact O-CB 3.22Å; T1350-S1354 PolarHBondContact O-N 3.22Å |
| 1351 | T | 86.9 | Confident | 84.8 | Confident | 84 Ų | 84 | 96.6 Ų | 96.6 | 52% | 0.515 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67 | -40.9 | 176.2 | -57 | 0 | 0 | 0 | 0 | 111.6 | Q1347 T1348 L1349 T1355 | Q1347-T1351 WeakPolarHBondContact O-CB 3.35Å; Q1347-T1351 PolarHBondContact O-N 2.82Å; Q1347-T1351 PolarHBondContact O-OG1 3.44Å; T1348-T1351 PolarHBondContact O-N 3.06Å; L1349-T1351 VanDerWaalsContact C-N 3.33Å; L1349-T1351 PolarHBondContact O-N 3.02Å; T1351-T1355 WeakPolarHBondContact O-CB 3.4Å; T1351-T1355 PolarHBondContact O-N 3.39Å; T1351-T1355 PolarHBondContact O-OG1 3.16Å |
| 1352 | Q | 84.3 | Confident | 84.6 | Confident | 95 Ų | 95 | 95.2 Ų | 95.2 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 172.2 | -71.3 | -175.8 | 17.2 | 0 | 0 | 111.6 | T1348 L1349 S1354 T1355 Y1356 | T1348-Q1352 WeakPolarHBondContact O-CG 3.38Å; T1348-Q1352 PolarHBondContact O-N 2.91Å; L1349-Q1352 PolarHBondContact O-N 2.82Å; Q1352-S1354 PolarHBondContact O-N 2.89Å; Q1352-T1355 WeakPolarHBondContact O-CB 3.35Å; Q1352-T1355 PolarHBondContact O-N 2.99Å; Q1352-T1355 VanDerWaalsContact O-N 3.13Å; Q1352-Y1356 HydrophobicContact CB-CE2 4.3Å; Q1352-Y1356 WeakPolarHBondContact O-CD2 3.21Å; Q1352-Y1356 PolarHBondContact O-N 3.45Å |
| 1353 | Q | 83.5 | Confident | 84.5 | Confident | 142 Ų | 142 | 94.6 Ų | 94.6 | 66% | 0.664 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 178.5 | -171.4 | 172 | -3.5 | 0 | 0 | 112 | L1349 T1350 Y1356 A1357 | L1349-Q1353 VanDerWaalsContact O-CB 3.31Å; L1349-Q1353 WeakPolarHBondContact O-CB 3.44Å; L1349-Q1353 PolarHBondContact O-N 2.66Å; T1350-Q1353 PolarHBondContact O-N 2.67Å; Q1353-Y1356 PolarHBondContact O-N 3.07Å; Q1353-A1357 WeakPolarHBondContact O-CB 3.37Å; Q1353-A1357 PolarHBondContact O-N 2.97Å |
| 1354 | S | 83.1 | Confident | 84.6 | Confident | 59 Ų | 59 | 92.9 Ų | 92.9 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 170.1 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | T1350 Q1352 Y1356 A1357 H1358 | T1350-S1354 WeakPolarHBondContact O-CB 3.22Å; T1350-S1354 PolarHBondContact O-N 3.22Å; Q1352-S1354 PolarHBondContact O-N 2.89Å; S1354-Y1356 PolarHBondContact O-N 3.38Å; S1354-A1357 WeakPolarHBondContact O-CB 3.22Å; S1354-A1357 PolarHBondContact O-N 2.85Å; S1354-A1357 VanDerWaalsContact O-N 3.12Å; S1354-H1358 PolarHBondContact O-CD2 3.16Å; S1354-H1358 PolarHBondContact O-N 2.88Å |
| 1355 | T | 84.7 | Confident | 84.5 | Confident | 79 Ų | 79 | 93.7 Ų | 93.7 | 49% | 0.485 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.4 | -45.7 | 175.8 | -55.3 | 0 | 0 | 0 | 0 | 111.3 | T1351 Q1352 A1357 H1358 V1359 | T1351-T1355 WeakPolarHBondContact O-CB 3.4Å; T1351-T1355 PolarHBondContact O-N 3.39Å; T1351-T1355 PolarHBondContact O-OG1 3.16Å; Q1352-T1355 WeakPolarHBondContact O-CB 3.35Å; Q1352-T1355 PolarHBondContact O-N 2.99Å; Q1352-T1355 VanDerWaalsContact O-N 3.13Å; T1355-A1357 PolarHBondContact O-N 2.98Å; T1355-H1358 PolarHBondContact O-N 2.95Å; T1355-V1359 WeakPolarHBondContact O-CG2 3.08Å; T1355-V1359 PolarHBondContact O-N 2.84Å |
| 1356 | Y | 82.9 | Confident | 84.5 | Confident | 148 Ų | 148 | 92 Ų | 92 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.9 | -39 | 174.2 | -71.7 | -60.6 | 0 | 0 | 0 | 112.3 | Q1352 Q1353 S1354 V1359 V1360 | Q1352-Y1356 HydrophobicContact CB-CE2 4.3Å; Q1352-Y1356 WeakPolarHBondContact O-CD2 3.21Å; Q1352-Y1356 PolarHBondContact O-N 3.45Å; Q1353-Y1356 PolarHBondContact O-N 3.07Å; S1354-Y1356 PolarHBondContact O-N 3.38Å; Y1356-V1359 PolarHBondContact O-N 3.47Å; Y1356-V1360 WeakPolarHBondContact O-CB 3.45Å; Y1356-V1360 VanDerWaalsContact O-CG2 3.29Å; Y1356-V1360 WeakPolarHBondContact O-CG2 3.21Å; Y1356-V1360 PolarHBondContact O-N 3.49Å |
| 1357 | A | 86.3 | Confident | 84.4 | Confident | 57 Ų | 57 | 90.3 Ų | 90.3 | 47% | 0.471 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1353 S1354 T1355 V1360 A1361 | Q1353-A1357 WeakPolarHBondContact O-CB 3.37Å; Q1353-A1357 PolarHBondContact O-N 2.97Å; S1354-A1357 WeakPolarHBondContact O-CB 3.22Å; S1354-A1357 PolarHBondContact O-N 2.85Å; S1354-A1357 VanDerWaalsContact O-N 3.12Å; T1355-A1357 PolarHBondContact O-N 2.98Å; A1357-V1360 PolarHBondContact O-N 2.91Å; A1357-A1361 WeakPolarHBondContact O-CB 3.28Å; A1357-A1361 PolarHBondContact O-N 2.9Å |
| 1358 | H | 84.5 | Confident | 84.3 | Confident | 135 Ų | 135 | 90 Ų | 90 | 63% | 0.625 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 174 | -88 | -81.5 | 0 | 0 | 0 | 112.7 | S1354 T1355 V1360 A1361 A1362 | S1354-H1358 PolarHBondContact O-CD2 3.16Å; S1354-H1358 PolarHBondContact O-N 2.88Å; T1355-H1358 PolarHBondContact O-N 2.95Å; H1358-V1360 VanDerWaalsContact C-N 3.35Å; H1358-A1361 PolarHBondContact O-N 3.39Å; H1358-A1362 WeakPolarHBondContact O-CB 3.23Å; H1358-A1362 PolarHBondContact O-N 3.24Å |
| 1359 | V | 85.1 | Confident | 84 | Confident | 94 Ų | 94 | 89.5 Ų | 89.5 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.2 | -41.6 | 175.5 | 172 | 0 | 0 | 0 | 0 | 111.1 | T1355 Y1356 A1362 F1363 | T1355-V1359 WeakPolarHBondContact O-CG2 3.08Å; T1355-V1359 PolarHBondContact O-N 2.84Å; Y1356-V1359 PolarHBondContact O-N 3.47Å; V1359-A1362 PolarHBondContact O-N 2.88Å; V1359-F1363 WeakPolarHBondContact O-CB 3.32Å; V1359-F1363 PolarHBondContact O-N 2.79Å |
| 1360 | V | 85.7 | Confident | 83.9 | Confident | 54 Ų | 54 | 89.5 Ų | 89.5 | 33% | 0.327 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 172.8 | 161.1 | 0 | 0 | 0 | 0 | 111.5 | L2 Y1356 A1357 H1358 A1362 F1363 E1364 | L2-V1360 HydrophobicContact CD1-CB 4.14Å; L2-V1360 HydrophobicContact CD1-CG1 3.51Å; L2-V1360 HydrophobicContact CD1-CG2 3.5Å; L2-V1360 HydrophobicContact CD2-CG1 4.08Å; L2-V1360 HydrophobicContact CG-CG1 4.39Å; Y1356-V1360 WeakPolarHBondContact O-CB 3.45Å; Y1356-V1360 VanDerWaalsContact O-CG2 3.29Å; Y1356-V1360 WeakPolarHBondContact O-CG2 3.21Å; Y1356-V1360 PolarHBondContact O-N 3.49Å; A1357-V1360 PolarHBondContact O-N 2.91Å; H1358-V1360 VanDerWaalsContact C-N 3.35Å; V1360-A1362 PolarHBondContact O-N 2.88Å; V1360-F1363 PolarHBondContact O-N 3.19Å; V1360-E1364 PolarHBondContact O-N 2.88Å |
| 1361 | A | 84.2 | Confident | 83.8 | Confident | 46 Ų | 46 | 86.8 Ų | 86.8 | 38% | 0.38 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1357 H1358 E1364 Q1365 | A1357-A1361 WeakPolarHBondContact O-CB 3.28Å; A1357-A1361 PolarHBondContact O-N 2.9Å; H1358-A1361 PolarHBondContact O-N 3.39Å; A1361-E1364 PolarHBondContact O-N 2.79Å; A1361-Q1365 WeakPolarHBondContact O-CB 3.22Å; A1361-Q1365 WeakPolarHBondContact O-CG 3.2Å; A1361-Q1365 PolarHBondContact O-N 3.28Å |
| 1362 | A | 81 | Confident | 83.7 | Confident | 50 Ų | 50 | 90.4 Ų | 90.4 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.3 | -39.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | H1358 V1359 V1360 Q1365 S1366 | H1358-A1362 WeakPolarHBondContact O-CB 3.23Å; H1358-A1362 PolarHBondContact O-N 3.24Å; V1359-A1362 PolarHBondContact O-N 2.88Å; V1360-A1362 PolarHBondContact O-N 2.88Å; A1362-Q1365 PolarHBondContact O-N 2.96Å; A1362-S1366 WeakPolarHBondContact O-CB 3.26Å; A1362-S1366 PolarHBondContact O-N 3.47Å; A1362-S1366 PolarHBondContact O-OG 2.83Å |
| 1363 | F | 83 | Confident | 83.7 | Confident | 125 Ų | 125 | 93.2 Ų | 93.2 | 55% | 0.548 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 173.8 | -175.3 | -109.6 | 0 | 0 | 0 | 111.9 | V1359 V1360 S1366 L1367 | V1359-F1363 WeakPolarHBondContact O-CB 3.32Å; V1359-F1363 PolarHBondContact O-N 2.79Å; V1360-F1363 PolarHBondContact O-N 3.19Å; F1363-S1366 WeakPolarHBondContact O-CB 3.22Å; F1363-S1366 PolarHBondContact O-N 3.4Å; F1363-L1367 HydrophobicContact CD1-CD1 3.96Å; F1363-L1367 HydrophobicContact CD1-CG 4.47Å; F1363-L1367 HydrophobicContact CE1-CD1 3.51Å; F1363-L1367 HydrophobicContact CE1-CG 4.15Å; F1363-L1367 HydrophobicContact CZ-CD1 3.97Å; F1363-L1367 HydrophobicContact CZ-CD2 4.39Å; F1363-L1367 HydrophobicContact CZ-CG 4.22Å; F1363-L1367 WeakPolarHBondContact O-CG 3.47Å; F1363-L1367 PolarHBondContact O-N 3.47Å |
| 1364 | E | 85.4 | Confident | 83.6 | Confident | 74 Ų | 74 | 88.7 Ų | 88.7 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 172.9 | -81.5 | -145.3 | 166.6 | 0 | 0 | 112.6 | L2 V1360 A1361 S1366 L1367 K1368 | L2-E1364 HydrophobicContact CD2-CG 4.4Å; V1360-E1364 PolarHBondContact O-N 2.88Å; A1361-E1364 PolarHBondContact O-N 2.79Å; E1364-S1366 VanDerWaalsContact C-N 3.28Å; E1364-S1366 PolarHBondContact O-N 3.48Å; E1364-L1367 PolarHBondContact O-N 3.13Å; E1364-K1368 WeakPolarHBondContact O-CB 3.49Å; E1364-K1368 WeakPolarHBondContact O-CD 3.31Å; E1364-K1368 WeakPolarHBondContact O-CG 3.07Å; E1364-K1368 PolarHBondContact O-N 3.06Å; E1364-K1368 IonicContact OE2-NZ 3.84Å; E1364-K1368 PolarHBondContact OE2-NZ 2.9Å |
| 1365 | Q | 83.7 | Confident | 83.7 | Confident | 141 Ų | 141 | 90.3 Ų | 90.3 | 66% | 0.659 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.6 | -39.6 | 174.3 | -77.3 | -173.8 | 2 | 0 | 0 | 111.3 | A1361 A1362 K1368 S1369 | A1361-Q1365 WeakPolarHBondContact O-CB 3.22Å; A1361-Q1365 WeakPolarHBondContact O-CG 3.2Å; A1361-Q1365 PolarHBondContact O-N 3.28Å; A1362-Q1365 PolarHBondContact O-N 2.96Å; Q1365-K1368 PolarHBondContact O-N 2.91Å; Q1365-S1369 VanDerWaalsContact O-CB 3.29Å; Q1365-S1369 WeakPolarHBondContact O-CB 3.38Å; Q1365-S1369 PolarHBondContact O-N 3.41Å |
| 1366 | S | 84.4 | Confident | 83.7 | Confident | 72 Ų | 72 | 89.5 Ų | 89.5 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 175.7 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | A1362 F1363 E1364 S1369 M1370 | A1362-S1366 WeakPolarHBondContact O-CB 3.26Å; A1362-S1366 PolarHBondContact O-N 3.47Å; A1362-S1366 PolarHBondContact O-OG 2.83Å; F1363-S1366 WeakPolarHBondContact O-CB 3.22Å; F1363-S1366 PolarHBondContact O-N 3.4Å; E1364-S1366 VanDerWaalsContact C-N 3.28Å; E1364-S1366 PolarHBondContact O-N 3.48Å; S1366-S1369 PolarHBondContact O-N 3.17Å; S1366-M1370 WeakPolarHBondContact O-CB 3.17Å; S1366-M1370 PolarHBondContact O-N 3.41Å |
| 1367 | L | 84.2 | Confident | 83.6 | Confident | 53 Ų | 53 | 87.4 Ų | 87.4 | 28% | 0.277 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 173.8 | -72.2 | 178.5 | 0 | 0 | 0 | 112.6 | P5 F1363 E1364 T1371 | P5-L1367 HydrophobicContact CG-CD1 4Å; F1363-L1367 HydrophobicContact CD1-CD1 3.96Å; F1363-L1367 HydrophobicContact CD1-CG 4.47Å; F1363-L1367 HydrophobicContact CE1-CD1 3.51Å; F1363-L1367 HydrophobicContact CE1-CG 4.15Å; F1363-L1367 HydrophobicContact CZ-CD1 3.97Å; F1363-L1367 HydrophobicContact CZ-CD2 4.39Å; F1363-L1367 HydrophobicContact CZ-CG 4.22Å; F1363-L1367 WeakPolarHBondContact O-CG 3.47Å; F1363-L1367 PolarHBondContact O-N 3.47Å; E1364-L1367 PolarHBondContact O-N 3.13Å; L1367-T1371 WeakPolarHBondContact O-CB 2.91Å; L1367-T1371 PolarHBondContact O-N 3.37Å; L1367-T1371 PolarHBondContact O-OG1 2.63Å |
| 1368 | K | 84.7 | Confident | 83.4 | Confident | 128 Ų | 128 | 85.3 Ų | 85.3 | 56% | 0.557 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -64.6 | -43.3 | 174.9 | -73.9 | 158.9 | 176.4 | 160.5 | 0 | 111 | E1364 Q1365 T1371 K1372 | E1364-K1368 WeakPolarHBondContact O-CB 3.49Å; E1364-K1368 WeakPolarHBondContact O-CD 3.31Å; E1364-K1368 WeakPolarHBondContact O-CG 3.07Å; E1364-K1368 PolarHBondContact O-N 3.06Å; E1364-K1368 IonicContact OE2-NZ 3.84Å; E1364-K1368 PolarHBondContact OE2-NZ 2.9Å; Q1365-K1368 PolarHBondContact O-N 2.91Å; K1368-T1371 PolarHBondContact O-N 2.75Å; K1368-K1372 WeakPolarHBondContact O-CB 3.4Å; K1368-K1372 PolarHBondContact O-N 2.81Å |
| 1369 | S | 77.5 | Confident | 83.3 | Confident | 58 Ų | 58 | 81.5 Ų | 81.5 | 41% | 0.406 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 174.7 | 172.7 | 0 | 0 | 0 | 0 | 112.7 | Q1365 S1366 R1373 | Q1365-S1369 VanDerWaalsContact O-CB 3.29Å; Q1365-S1369 WeakPolarHBondContact O-CB 3.38Å; Q1365-S1369 PolarHBondContact O-N 3.41Å; S1366-S1369 PolarHBondContact O-N 3.17Å; S1369-R1373 PolarHBondContact O-N 2.89Å; S1369-R1373 PolarHBondContact OG-NH2 3.5Å |
| 1370 | M | 80.4 | Confident | 83.2 | Confident | 107 Ų | 107 | 79.3 Ų | 79.3 | 53% | 0.527 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.3 | -48.2 | 175.2 | -170.1 | 178 | -69.7 | 0 | 0 | 110.6 | S1366 K1372 R1373 M1374 | S1366-M1370 WeakPolarHBondContact O-CB 3.17Å; S1366-M1370 PolarHBondContact O-N 3.41Å; M1370-K1372 VanDerWaalsContact C-N 3.34Å; M1370-K1372 PolarHBondContact O-N 2.99Å; M1370-R1373 CarbonylContact O-C 3.41Å; M1370-R1373 WeakPolarHBondContact O-CA 3.37Å; M1370-R1373 WeakPolarHBondContact O-CB 3.49Å; M1370-R1373 PolarHBondContact O-N 3.1Å; M1370-M1374 HydrophobicContact CG-CG 4.45Å; M1370-M1374 HydrophobicContact CG-SD 4.11Å; M1370-M1374 VanDerWaalsContact O-CG 3.24Å; M1370-M1374 WeakPolarHBondContact O-CG 3.34Å; M1370-M1374 PolarHBondContact O-N 3.45Å |
| 1371 | T | 84.7 | Confident | 82.8 | Confident | 22 Ų | 22 | 79.8 Ų | 79.8 | 14% | 0.135 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -56.2 | -44.2 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 112.1 | L7 L1367 K1368 R1373 M1374 Q1375 | L7-T1371 HydrophobicContact CD2-CG2 3.85Å; L7-T1371 HydrophobicContact CG-CG2 4.49Å; L1367-T1371 WeakPolarHBondContact O-CB 2.91Å; L1367-T1371 PolarHBondContact O-N 3.37Å; L1367-T1371 PolarHBondContact O-OG1 2.63Å; K1368-T1371 PolarHBondContact O-N 2.75Å; T1371-R1373 VanDerWaalsContact C-N 3.33Å; T1371-R1373 PolarHBondContact O-N 3.22Å; T1371-M1374 PolarHBondContact O-N 2.92Å; T1371-Q1375 WeakPolarHBondContact O-CG 3.26Å; T1371-Q1375 PolarHBondContact O-N 3.46Å |
| 1372 | K | 84.1 | Confident | 82.6 | Confident | 159 Ų | 159 | 82.8 Ų | 82.8 | 69% | 0.691 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.5 | -38.2 | 176.4 | -168.8 | 177.6 | -178.8 | -176.8 | 0 | 112 | K1368 M1370 Q1375 A1376 | K1368-K1372 WeakPolarHBondContact O-CB 3.4Å; K1368-K1372 PolarHBondContact O-N 2.81Å; M1370-K1372 VanDerWaalsContact C-N 3.34Å; M1370-K1372 PolarHBondContact O-N 2.99Å; K1372-Q1375 PolarHBondContact O-N 2.71Å; K1372-A1376 WeakPolarHBondContact O-CB 3.19Å; K1372-A1376 PolarHBondContact O-N 3.44Å |
| 1373 | R | 83.8 | Confident | 82.5 | Confident | 155 Ų | 155 | 85.4 Ų | 85.4 | 59% | 0.585 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.7 | -40 | 172.7 | -82.3 | -177.7 | -79.2 | 175.8 | -6.5 | 112.7 | S1369 M1370 T1371 Q1375 A1376 L1377 | S1369-R1373 PolarHBondContact O-N 2.89Å; S1369-R1373 PolarHBondContact OG-NH2 3.5Å; M1370-R1373 CarbonylContact O-C 3.41Å; M1370-R1373 WeakPolarHBondContact O-CA 3.37Å; M1370-R1373 WeakPolarHBondContact O-CB 3.49Å; M1370-R1373 PolarHBondContact O-N 3.1Å; T1371-R1373 VanDerWaalsContact C-N 3.33Å; T1371-R1373 PolarHBondContact O-N 3.22Å; R1373-Q1375 VanDerWaalsContact C-N 3.32Å; R1373-Q1375 PolarHBondContact O-N 2.62Å; R1373-A1376 PolarHBondContact O-N 3.37Å; R1373-L1377 WeakPolarHBondContact O-CB 3.3Å; R1373-L1377 PolarHBondContact O-N 2.78Å |
| 1374 | M | 82.7 | Confident | 82.5 | Confident | 47 Ų | 47 | 85.6 Ų | 85.6 | 23% | 0.232 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 174.1 | -53.4 | -33.5 | -66 | 0 | 0 | 111.4 | L7 M11 M1370 T1371 T1378 | L7-M1374 HydrophobicContact CD2-CG 4.5Å; M11-M1374 HydrophobicContact CB-CB 4.18Å; M11-M1374 HydrophobicContact CB-CE 3.56Å; M11-M1374 HydrophobicContact CE-CE 3.75Å; M11-M1374 HydrophobicContact CG-CE 4.42Å; M11-M1374 HydrophobicContact SD-CE 4.02Å; M1370-M1374 HydrophobicContact CG-CG 4.45Å; M1370-M1374 HydrophobicContact CG-SD 4.11Å; M1370-M1374 VanDerWaalsContact O-CG 3.24Å; M1370-M1374 WeakPolarHBondContact O-CG 3.34Å; M1370-M1374 PolarHBondContact O-N 3.45Å; T1371-M1374 PolarHBondContact O-N 2.92Å; M1374-T1378 WeakPolarHBondContact O-CB 3.42Å; M1374-T1378 PolarHBondContact O-N 2.84Å; M1374-T1378 PolarHBondContact O-OG1 3.05Å |
| 1375 | Q | 84.7 | Confident | 82.3 | Confident | 92 Ų | 92 | 86.6 Ų | 86.6 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.4 | -37.4 | 177.6 | -72.6 | 174.3 | -29.2 | 0 | 0 | 112.8 | T1371 K1372 R1373 T1378 A1379 | T1371-Q1375 WeakPolarHBondContact O-CG 3.26Å; T1371-Q1375 PolarHBondContact O-N 3.46Å; K1372-Q1375 PolarHBondContact O-N 2.71Å; R1373-Q1375 VanDerWaalsContact C-N 3.32Å; R1373-Q1375 PolarHBondContact O-N 2.62Å; Q1375-T1378 WeakPolarHBondContact O-CB 3.32Å; Q1375-T1378 PolarHBondContact O-N 2.81Å; Q1375-A1379 PolarHBondContact O-N 3.45Å; Q1375-A1379 VanDerWaalsContact O-N 3.1Å |
| 1376 | A | 84.2 | Confident | 82.1 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 52% | 0.521 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K1372 R1373 T1378 A1379 A1380 | K1372-A1376 WeakPolarHBondContact O-CB 3.19Å; K1372-A1376 PolarHBondContact O-N 3.44Å; R1373-A1376 PolarHBondContact O-N 3.37Å; A1376-T1378 VanDerWaalsContact C-N 3.31Å; A1376-T1378 PolarHBondContact O-N 3.48Å; A1376-A1379 PolarHBondContact O-N 3.12Å; A1376-A1380 PolarHBondContact O-N 3.37Å |
| 1377 | L | 80.8 | Confident | 82 | Confident | 103 Ų | 103 | 88.7 Ų | 88.7 | 54% | 0.539 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.7 | -27.7 | 177.8 | -75.3 | 166.7 | 0 | 0 | 0 | 112.4 | M11 R1373 S1381 | M11-L1377 HydrophobicContact CE-CB 3.83Å; M11-L1377 HydrophobicContact CE-CD1 4.21Å; M11-L1377 HydrophobicContact SD-CB 3.24Å; M11-L1377 WeakPolarHBondContact SD-CB 3.42Å; M11-L1377 HydrophobicContact SD-CG 4.5Å; R1373-L1377 WeakPolarHBondContact O-CB 3.3Å; R1373-L1377 PolarHBondContact O-N 2.78Å; L1377-S1381 WeakPolarHBondContact O-CB 3.42Å; L1377-S1381 PolarHBondContact O-N 2.84Å |
| 1378 | T | 83.4 | Confident | 81.8 | Confident | 13 Ų | 13 | 90.3 Ų | 90.3 | 8% | 0.08 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -57.5 | -55.6 | 165.3 | -68.6 | 0 | 0 | 0 | 0 | 111.5 | S10 M1374 Q1375 A1376 A1380 S1381 Q1382 | S10-T1378 VanDerWaalsContact CB-OG1 3.25Å; S10-T1378 WeakPolarHBondContact CB-OG1 3.13Å; S10-T1378 WeakPolarHBondContact OG-CB 3.43Å; S10-T1378 WeakPolarHBondContact OG-CG2 3.42Å; S10-T1378 PolarHBondContact OG-OG1 2.81Å; M1374-T1378 WeakPolarHBondContact O-CB 3.42Å; M1374-T1378 PolarHBondContact O-N 2.84Å; M1374-T1378 PolarHBondContact O-OG1 3.05Å; Q1375-T1378 WeakPolarHBondContact O-CB 3.32Å; Q1375-T1378 PolarHBondContact O-N 2.81Å; A1376-T1378 VanDerWaalsContact C-N 3.31Å; A1376-T1378 PolarHBondContact O-N 3.48Å; T1378-A1380 VanDerWaalsContact C-N 3.27Å; T1378-A1380 PolarHBondContact O-N 3.36Å; T1378-S1381 WeakPolarHBondContact O-CA 3.29Å; T1378-S1381 WeakPolarHBondContact O-CB 3.49Å; T1378-S1381 PolarHBondContact O-N 3.26Å; T1378-Q1382 PolarHBondContact O-N 3.41Å |
| 1379 | A | 81.4 | Confident | 81.5 | Confident | 56 Ų | 56 | 87.5 Ų | 87.5 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q1375 A1376 S1381 Q1382 Q1383 | Q1375-A1379 PolarHBondContact O-N 3.45Å; Q1375-A1379 VanDerWaalsContact O-N 3.1Å; A1376-A1379 PolarHBondContact O-N 3.12Å; A1379-S1381 VanDerWaalsContact C-N 3.33Å; A1379-S1381 PolarHBondContact O-N 2.87Å; A1379-Q1382 PolarHBondContact O-N 2.77Å; A1379-Q1383 VanDerWaalsContact O-CB 3.22Å; A1379-Q1383 WeakPolarHBondContact O-CB 3.3Å; A1379-Q1383 PolarHBondContact O-N 3.12Å |
| 1380 | A | 82.4 | Confident | 81.9 | Confident | 47 Ų | 47 | 86 Ų | 86 | 39% | 0.388 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.6 | -33 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1376 T1378 K1384 | A1376-A1380 PolarHBondContact O-N 3.37Å; T1378-A1380 VanDerWaalsContact C-N 3.27Å; T1378-A1380 PolarHBondContact O-N 3.36Å; A1380-K1384 WeakPolarHBondContact O-CB 3.18Å; A1380-K1384 VanDerWaalsContact O-CG 3.28Å; A1380-K1384 WeakPolarHBondContact O-CG 3.23Å; A1380-K1384 PolarHBondContact O-N 2.68Å; A1380-K1384 VanDerWaalsContact O-N 3.13Å |
| 1381 | S | 78.5 | Confident | 82 | Confident | 64 Ų | 64 | 86 Ų | 86 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.6 | -50.4 | 173.4 | -165.9 | 0 | 0 | 0 | 0 | 111.3 | L1377 T1378 A1379 Q1383 K1384 D1385 | L1377-S1381 WeakPolarHBondContact O-CB 3.42Å; L1377-S1381 PolarHBondContact O-N 2.84Å; T1378-S1381 WeakPolarHBondContact O-CA 3.29Å; T1378-S1381 WeakPolarHBondContact O-CB 3.49Å; T1378-S1381 PolarHBondContact O-N 3.26Å; A1379-S1381 VanDerWaalsContact C-N 3.33Å; A1379-S1381 PolarHBondContact O-N 2.87Å; S1381-Q1383 VanDerWaalsContact C-N 3.33Å; S1381-Q1383 PolarHBondContact O-N 3.4Å; S1381-K1384 CarbonylContact O-C 3.52Å; S1381-K1384 WeakPolarHBondContact O-CA 3.45Å; S1381-K1384 WeakPolarHBondContact O-CB 3.47Å; S1381-K1384 PolarHBondContact O-N 3.11Å; S1381-D1385 PolarHBondContact O-N 3.44Å |
| 1382 | Q | 78.9 | Confident | 82 | Confident | 110 Ų | 110 | 91.8 Ų | 91.8 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.3 | -40.9 | -179.9 | -69.9 | -176 | -32.3 | 0 | 0 | 111.7 | T1378 A1379 K1384 D1385 F1386 | T1378-Q1382 PolarHBondContact O-N 3.41Å; A1379-Q1382 PolarHBondContact O-N 2.77Å; Q1382-K1384 VanDerWaalsContact C-N 3.34Å; Q1382-K1384 PolarHBondContact O-N 3.29Å; Q1382-D1385 PolarHBondContact O-N 3.26Å; Q1382-F1386 WeakPolarHBondContact O-CD2 3.22Å; Q1382-F1386 PolarHBondContact O-N 2.87Å |
| 1383 | Q | 79.3 | Confident | 82 | Confident | 105 Ų | 105 | 90.7 Ų | 90.7 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.8 | -45.2 | 171.7 | 179.9 | 60.6 | 24.8 | 0 | 0 | 111.6 | A1379 S1381 D1385 F1386 E1387 | A1379-Q1383 VanDerWaalsContact O-CB 3.22Å; A1379-Q1383 WeakPolarHBondContact O-CB 3.3Å; A1379-Q1383 PolarHBondContact O-N 3.12Å; S1381-Q1383 VanDerWaalsContact C-N 3.33Å; S1381-Q1383 PolarHBondContact O-N 3.4Å; Q1383-D1385 VanDerWaalsContact C-N 3.34Å; Q1383-D1385 PolarHBondContact O-N 2.79Å; Q1383-F1386 PolarHBondContact O-N 3.33Å; Q1383-E1387 WeakPolarHBondContact CG-OE1 3.35Å; Q1383-E1387 PolarHBondContact NE2-OE1 2.91Å; Q1383-E1387 WeakPolarHBondContact O-CG 3.12Å; Q1383-E1387 PolarHBondContact O-N 3.14Å |
| 1384 | K | 83.8 | Confident | 82 | Confident | 129 Ų | 129 | 90 Ų | 90 | 56% | 0.561 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.9 | -31 | 175.2 | -77.8 | 176.6 | 178.1 | 179.6 | 0 | 113.4 | A1380 S1381 Q1382 E1387 L1388 | A1380-K1384 WeakPolarHBondContact O-CB 3.18Å; A1380-K1384 VanDerWaalsContact O-CG 3.28Å; A1380-K1384 WeakPolarHBondContact O-CG 3.23Å; A1380-K1384 PolarHBondContact O-N 2.68Å; A1380-K1384 VanDerWaalsContact O-N 3.13Å; S1381-K1384 CarbonylContact O-C 3.52Å; S1381-K1384 WeakPolarHBondContact O-CA 3.45Å; S1381-K1384 WeakPolarHBondContact O-CB 3.47Å; S1381-K1384 PolarHBondContact O-N 3.11Å; Q1382-K1384 VanDerWaalsContact C-N 3.34Å; Q1382-K1384 PolarHBondContact O-N 3.29Å; K1384-E1387 PolarHBondContact O-N 2.65Å; K1384-L1388 WeakPolarHBondContact O-CB 3.44Å; K1384-L1388 WeakPolarHBondContact O-CG 3.35Å; K1384-L1388 PolarHBondContact O-N 3.17Å |
| 1385 | D | 81.3 | Confident | 81.8 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 173.4 | -71.5 | -48.2 | 0 | 0 | 0 | 111.6 | S1381 Q1382 Q1383 S1389 | S1381-D1385 PolarHBondContact O-N 3.44Å; Q1382-D1385 PolarHBondContact O-N 3.26Å; Q1383-D1385 VanDerWaalsContact C-N 3.34Å; Q1383-D1385 PolarHBondContact O-N 2.79Å; D1385-S1389 VanDerWaalsContact O-CB 3.31Å; D1385-S1389 WeakPolarHBondContact O-CB 3.44Å; D1385-S1389 PolarHBondContact O-N 3.4Å |
| 1386 | F | 80.1 | Confident | 81.7 | Confident | 157 Ų | 157 | 92.4 Ų | 92.4 | 69% | 0.689 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -44.6 | 170.1 | -73.8 | -64.6 | 0 | 0 | 0 | 112.1 | Q1382 Q1383 S1389 G1390 | Q1382-F1386 WeakPolarHBondContact O-CD2 3.22Å; Q1382-F1386 PolarHBondContact O-N 2.87Å; Q1383-F1386 PolarHBondContact O-N 3.33Å; F1386-S1389 WeakPolarHBondContact O-CB 3.28Å; F1386-S1389 PolarHBondContact O-N 3.39Å; F1386-G1390 PolarHBondContact O-N 3.31Å |
| 1387 | E | 81.4 | Confident | 81.4 | Confident | 99 Ų | 99 | 94.2 Ų | 94.2 | 46% | 0.463 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 175.8 | -74.3 | 170.6 | -157.9 | 0 | 0 | 112.3 | Q1383 K1384 S1389 G1390 L1391 | Q1383-E1387 WeakPolarHBondContact CG-OE1 3.35Å; Q1383-E1387 PolarHBondContact NE2-OE1 2.91Å; Q1383-E1387 WeakPolarHBondContact O-CG 3.12Å; Q1383-E1387 PolarHBondContact O-N 3.14Å; K1384-E1387 PolarHBondContact O-N 2.65Å; E1387-S1389 VanDerWaalsContact C-N 3.33Å; E1387-G1390 PolarHBondContact O-N 2.65Å; E1387-L1391 VanDerWaalsContact O-CB 3.28Å; E1387-L1391 WeakPolarHBondContact O-CB 3.28Å; E1387-L1391 VanDerWaalsContact O-CG 3.27Å; E1387-L1391 WeakPolarHBondContact O-CG 3.41Å; E1387-L1391 PolarHBondContact O-N 3.04Å |
| 1388 | L | 79.2 | Confident | 81.2 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.4 | -34.2 | 173.4 | -77.5 | 168.1 | 0 | 0 | 0 | 112.1 | K1384 K1392 | K1384-L1388 WeakPolarHBondContact O-CB 3.44Å; K1384-L1388 WeakPolarHBondContact O-CG 3.35Å; K1384-L1388 PolarHBondContact O-N 3.17Å; L1388-K1392 WeakPolarHBondContact O-CB 3.19Å; L1388-K1392 WeakPolarHBondContact O-CD 3.49Å; L1388-K1392 WeakPolarHBondContact O-CG 3.39Å; L1388-K1392 PolarHBondContact O-N 3.48Å |
| 1389 | S | 79.9 | Confident | 81 | Confident | 69 Ų | 69 | 99.5 Ų | 99.5 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -49.5 | 172.7 | -164.9 | 0 | 0 | 0 | 0 | 110.9 | D1385 F1386 E1387 L1391 K1392 Q1393 | D1385-S1389 VanDerWaalsContact O-CB 3.31Å; D1385-S1389 WeakPolarHBondContact O-CB 3.44Å; D1385-S1389 PolarHBondContact O-N 3.4Å; F1386-S1389 WeakPolarHBondContact O-CB 3.28Å; F1386-S1389 PolarHBondContact O-N 3.39Å; E1387-S1389 VanDerWaalsContact C-N 3.33Å; S1389-L1391 VanDerWaalsContact C-N 3.33Å; S1389-L1391 PolarHBondContact O-N 3.1Å; S1389-K1392 WeakPolarHBondContact O-CB 3.28Å; S1389-K1392 PolarHBondContact O-N 2.86Å; S1389-Q1393 WeakPolarHBondContact O-CB 3.24Å; S1389-Q1393 PolarHBondContact O-N 2.84Å |
| 1390 | G | 84.6 | Confident | 80.8 | Confident | 27 Ų | 27 | 102.7 Ų | 102.7 | 28% | 0.278 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F1386 E1387 K1394 | F1386-G1390 PolarHBondContact O-N 3.31Å; E1387-G1390 PolarHBondContact O-N 2.65Å; G1390-K1394 WeakPolarHBondContact O-CB 3.24Å; G1390-K1394 VanDerWaalsContact O-CG 3.31Å; G1390-K1394 WeakPolarHBondContact O-CG 3.47Å; G1390-K1394 PolarHBondContact O-N 2.94Å |
| 1391 | L | 83.1 | Confident | 80.4 | Confident | 105 Ų | 105 | 105.6 Ų | 105.6 | 55% | 0.55 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.7 | -38.1 | 173.2 | -78.4 | 168.1 | 0 | 0 | 0 | 112.3 | E1387 S1389 M1395 | E1387-L1391 VanDerWaalsContact O-CB 3.28Å; E1387-L1391 WeakPolarHBondContact O-CB 3.28Å; E1387-L1391 VanDerWaalsContact O-CG 3.27Å; E1387-L1391 WeakPolarHBondContact O-CG 3.41Å; E1387-L1391 PolarHBondContact O-N 3.04Å; S1389-L1391 VanDerWaalsContact C-N 3.33Å; S1389-L1391 PolarHBondContact O-N 3.1Å; L1391-M1395 VanDerWaalsContact O-CB 3.23Å; L1391-M1395 WeakPolarHBondContact O-CB 3.48Å; L1391-M1395 PolarHBondContact O-N 3.04Å |
| 1392 | K | 84.9 | Confident | 80 | Confident | 144 Ų | 144 | 106.4 Ų | 106.4 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.4 | -45.6 | 170.8 | -76.3 | 165.6 | -177.1 | 173 | 0 | 110.8 | L1388 S1389 K1394 M1395 E1396 | L1388-K1392 WeakPolarHBondContact O-CB 3.19Å; L1388-K1392 WeakPolarHBondContact O-CD 3.49Å; L1388-K1392 WeakPolarHBondContact O-CG 3.39Å; L1388-K1392 PolarHBondContact O-N 3.48Å; S1389-K1392 WeakPolarHBondContact O-CB 3.28Å; S1389-K1392 PolarHBondContact O-N 2.86Å; K1392-K1394 PolarHBondContact O-N 3.3Å; K1392-M1395 WeakPolarHBondContact O-CB 3.47Å; K1392-M1395 PolarHBondContact O-N 3.06Å; K1392-M1395 VanDerWaalsContact O-N 3.16Å; K1392-E1396 PolarHBondContact O-N 2.76Å |
| 1393 | Q | 84 | Confident | 79.5 | Confident | 137 Ų | 137 | 106.7 Ų | 106.7 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 178.9 | -161 | 174.3 | 19.6 | 0 | 0 | 112 | S1389 E1396 M1397 | S1389-Q1393 WeakPolarHBondContact O-CB 3.24Å; S1389-Q1393 PolarHBondContact O-N 2.84Å; Q1393-E1396 PolarHBondContact O-N 2.94Å; Q1393-M1397 PolarHBondContact O-N 2.97Å |
| 1394 | K | 83.2 | Confident | 78.7 | Confident | 139 Ų | 139 | 104.6 Ų | 104.6 | 60% | 0.604 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.3 | -36.6 | 171 | -74.6 | 175.2 | -179.3 | 178.4 | 0 | 113 | G1390 K1392 E1396 L1398 | G1390-K1394 WeakPolarHBondContact O-CB 3.24Å; G1390-K1394 VanDerWaalsContact O-CG 3.31Å; G1390-K1394 WeakPolarHBondContact O-CG 3.47Å; G1390-K1394 PolarHBondContact O-N 2.94Å; K1392-K1394 PolarHBondContact O-N 3.3Å; K1394-E1396 VanDerWaalsContact C-N 3.33Å; K1394-L1398 WeakPolarHBondContact O-CB 3.49Å; K1394-L1398 WeakPolarHBondContact O-CG 3.41Å; K1394-L1398 PolarHBondContact O-N 2.76Å |
| 1395 | M | 79.3 | Confident | 77.5 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.9 | -35.9 | 175.8 | -170.8 | -177.7 | -60.2 | 0 | 0 | 111.5 | L1391 K1392 L1398 R1399 | L1391-M1395 VanDerWaalsContact O-CB 3.23Å; L1391-M1395 WeakPolarHBondContact O-CB 3.48Å; L1391-M1395 PolarHBondContact O-N 3.04Å; K1392-M1395 WeakPolarHBondContact O-CB 3.47Å; K1392-M1395 PolarHBondContact O-N 3.06Å; K1392-M1395 VanDerWaalsContact O-N 3.16Å; M1395-L1398 PolarHBondContact O-N 3.36Å; M1395-R1399 PolarHBondContact O-N 3.37Å; M1395-R1399 PolarHBondContact SD-NH2 3.5Å; M1395-R1399 VanDerWaalsContact SD-NH2 3.42Å |
| 1396 | E | 82.3 | Confident | 76.1 | Confident | 93 Ų | 93 | 100.1 Ų | 100.1 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.7 | -42.6 | 175.5 | -146.2 | 58.9 | -150.5 | 0 | 0 | 111.7 | K1392 Q1393 K1394 L1398 R1399 E1400 | K1392-E1396 PolarHBondContact O-N 2.76Å; Q1393-E1396 PolarHBondContact O-N 2.94Å; K1394-E1396 VanDerWaalsContact C-N 3.33Å; E1396-L1398 PolarHBondContact O-N 3Å; E1396-R1399 CarbonylContact O-C 3.54Å; E1396-R1399 WeakPolarHBondContact O-CA 3.46Å; E1396-R1399 WeakPolarHBondContact O-CB 3.48Å; E1396-R1399 PolarHBondContact O-N 3.3Å; E1396-R1399 WeakPolarHBondContact OE1-CD 3.38Å; E1396-R1399 IonicContact OE2-CZ 3.22Å; E1396-R1399 IonicContact OE2-NH1 2.67Å; E1396-R1399 PolarHBondContact OE2-NH1 2.94Å; E1396-E1400 PolarHBondContact O-N 3.4Å |
| 1397 | M | 78.7 | Confident | 74.5 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 50% | 0.498 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -54.5 | -38.5 | 169 | -121.4 | -174.2 | -68.2 | 0 | 0 | 112.1 | Q1393 L1401 | Q1393-M1397 PolarHBondContact O-N 2.97Å; M1397-L1401 WeakPolarHBondContact O-CB 3.34Å; M1397-L1401 VanDerWaalsContact O-CG 3.27Å; M1397-L1401 WeakPolarHBondContact O-CG 3.29Å; M1397-L1401 PolarHBondContact O-N 3.46Å |
| 1398 | L | 76.5 | Confident | 72.8 | Confident | 109 Ų | 109 | 104 Ų | 104 | 57% | 0.571 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.6 | -26.4 | 174.6 | -74.9 | 168.9 | 0 | 0 | 0 | 113.2 | K1394 M1395 E1396 S1402 | K1394-L1398 WeakPolarHBondContact O-CB 3.49Å; K1394-L1398 WeakPolarHBondContact O-CG 3.41Å; K1394-L1398 PolarHBondContact O-N 2.76Å; M1395-L1398 PolarHBondContact O-N 3.36Å; E1396-L1398 PolarHBondContact O-N 3Å; L1398-S1402 VanDerWaalsContact O-CB 3.3Å; L1398-S1402 WeakPolarHBondContact O-CB 3.4Å; L1398-S1402 PolarHBondContact O-N 3.35Å; L1398-S1402 PolarHBondContact O-OG 2.81Å |
| 1399 | R | 78.6 | Confident | 71 | Confident | 118 Ų | 118 | 106.1 Ų | 106.1 | 45% | 0.445 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -71.8 | -46.7 | 168.8 | -74 | -175.4 | -178.3 | 102.5 | 9.9 | 111.2 | M1395 E1396 L1401 S1402 I1403 | M1395-R1399 PolarHBondContact O-N 3.37Å; M1395-R1399 PolarHBondContact SD-NH2 3.5Å; M1395-R1399 VanDerWaalsContact SD-NH2 3.42Å; E1396-R1399 CarbonylContact O-C 3.54Å; E1396-R1399 WeakPolarHBondContact O-CA 3.46Å; E1396-R1399 WeakPolarHBondContact O-CB 3.48Å; E1396-R1399 PolarHBondContact O-N 3.3Å; E1396-R1399 WeakPolarHBondContact OE1-CD 3.38Å; E1396-R1399 IonicContact OE2-CZ 3.22Å; E1396-R1399 IonicContact OE2-NH1 2.67Å; E1396-R1399 PolarHBondContact OE2-NH1 2.94Å; R1399-L1401 VanDerWaalsContact C-N 3.34Å; R1399-L1401 PolarHBondContact O-N 3.42Å; R1399-S1402 CarbonylContact O-C 3.58Å; R1399-S1402 WeakPolarHBondContact O-CA 3.49Å; R1399-S1402 WeakPolarHBondContact O-CB 3.29Å; R1399-S1402 PolarHBondContact O-N 2.89Å; R1399-I1403 VanDerWaalsContact O-CG1 3.27Å; R1399-I1403 WeakPolarHBondContact O-CG1 3.38Å; R1399-I1403 PolarHBondContact O-N 3.3Å |
| 1400 | E | 77.2 | Confident | 69.1 | Low | 122 Ų | 122 | 110.5 Ų | 110.5 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.5 | -46.2 | 175.1 | -68.8 | 177.1 | 147.9 | 0 | 0 | 111.1 | E1396 S1402 I1403 A1404 | E1396-E1400 PolarHBondContact O-N 3.4Å; E1400-S1402 VanDerWaalsContact C-N 3.34Å; E1400-S1402 PolarHBondContact O-N 2.96Å; E1400-I1403 PolarHBondContact O-N 3.38Å; E1400-A1404 WeakPolarHBondContact O-CB 3.39Å; E1400-A1404 PolarHBondContact O-N 3.49Å |
| 1401 | L | 74.2 | Confident | 66.8 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 57% | 0.571 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.3 | -35.9 | 173 | -74.4 | 168.8 | 0 | 0 | 0 | 113 | M1397 R1399 A1405 | M1397-L1401 WeakPolarHBondContact O-CB 3.34Å; M1397-L1401 VanDerWaalsContact O-CG 3.27Å; M1397-L1401 WeakPolarHBondContact O-CG 3.29Å; M1397-L1401 PolarHBondContact O-N 3.46Å; R1399-L1401 VanDerWaalsContact C-N 3.34Å; R1399-L1401 PolarHBondContact O-N 3.42Å; L1401-A1405 VanDerWaalsContact O-CB 3.23Å; L1401-A1405 WeakPolarHBondContact O-CB 3.46Å; L1401-A1405 PolarHBondContact O-N 3.46Å |
| 1402 | S | 69.2 | Low | 64.6 | Low | 81 Ų | 81 | 120.5 Ų | 120.5 | 57% | 0.566 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.8 | -36.9 | 175.8 | -61.7 | 0 | 0 | 0 | 0 | 112.3 | L1398 R1399 E1400 G1406 | L1398-S1402 VanDerWaalsContact O-CB 3.3Å; L1398-S1402 WeakPolarHBondContact O-CB 3.4Å; L1398-S1402 PolarHBondContact O-N 3.35Å; L1398-S1402 PolarHBondContact O-OG 2.81Å; R1399-S1402 CarbonylContact O-C 3.58Å; R1399-S1402 WeakPolarHBondContact O-CA 3.49Å; R1399-S1402 WeakPolarHBondContact O-CB 3.29Å; R1399-S1402 PolarHBondContact O-N 2.89Å; E1400-S1402 VanDerWaalsContact C-N 3.34Å; E1400-S1402 PolarHBondContact O-N 2.96Å; S1402-G1406 PolarHBondContact O-N 3.4Å |
| 1403 | I | 68.5 | Low | 62.1 | Low | 116 Ų | 116 | 120.1 Ų | 120.1 | 60% | 0.595 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -44.5 | 175.1 | -68.1 | 162 | 0 | 0 | 0 | 109.7 | R1399 E1400 A1405 G1406 | R1399-I1403 VanDerWaalsContact O-CG1 3.27Å; R1399-I1403 WeakPolarHBondContact O-CG1 3.38Å; R1399-I1403 PolarHBondContact O-N 3.3Å; E1400-I1403 PolarHBondContact O-N 3.38Å; I1403-A1405 VanDerWaalsContact C-N 3.34Å; I1403-A1405 PolarHBondContact O-N 3.02Å; I1403-G1406 PolarHBondContact O-N 2.96Å |
| 1404 | A | 63.5 | Low | 59.8 | Low | 61 Ų | 61 | 119.8 Ų | 119.8 | 50% | 0.504 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -64 | -35.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | E1400 | E1400-A1404 WeakPolarHBondContact O-CB 3.39Å; E1400-A1404 PolarHBondContact O-N 3.49Å |
| 1405 | A | 58 | Low | 57.3 | Low | 70 Ų | 70 | 117.8 Ų | 117.8 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.2 | -28.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1401 I1403 L1407 | L1401-A1405 VanDerWaalsContact O-CB 3.23Å; L1401-A1405 WeakPolarHBondContact O-CB 3.46Å; L1401-A1405 PolarHBondContact O-N 3.46Å; I1403-A1405 VanDerWaalsContact C-N 3.34Å; I1403-A1405 PolarHBondContact O-N 3.02Å; A1405-L1407 PolarHBondContact O-N 3.39Å |
| 1406 | G | 52.4 | Low | 55.3 | Low | 60 Ų | 60 | 118.4 Ų | 118.4 | 62% | 0.619 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -12.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S1402 I1403 | S1402-G1406 PolarHBondContact O-N 3.4Å; I1403-G1406 PolarHBondContact O-N 2.96Å |
| 1407 | L | 45.6 | Very low | 53 | Low | 145 Ų | 145 | 120.4 Ų | 120.4 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 21.5 | -169.4 | -74.8 | 165.5 | 0 | 0 | 0 | 114.9 | A1405 | A1405-L1407 PolarHBondContact O-N 3.39Š|
| 1408 | K | 45 | Very low | 50.8 | Low | 191 Ų | 191 | 122.1 Ų | 122.1 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -136.2 | 20.2 | -170 | -85 | -170.7 | 173.5 | -180 | 0 | 117.8 | ||
| 1409 | V | 43.1 | Very low | 48.9 | Very low | 133 Ų | 133 | 122 Ų | 122 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -126.4 | 40.1 | -172.2 | -156.3 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1410 | D | 38.3 | Very low | 46.8 | Very low | 161 Ų | 161 | 125.4 Ų | 125.4 | 86% | 0.861 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -144.2 | 10.7 | -175.7 | -123 | -16.2 | 0 | 0 | 0 | 116 | ||
| 1411 | Q | 36.7 | Very low | 44.8 | Very low | 162 Ų | 162 | 122.8 Ų | 122.8 | 76% | 0.757 | 73% | 0.726 | S | S | * | * | trans | -140.5 | 32.3 | -175 | -68.8 | -164.9 | 1.9 | 0 | 0 | 117 | I1413 | Q1411-I1413 VanDerWaalsContact O-CD1 3.23Å; Q1411-I1413 WeakPolarHBondContact O-CD1 3.43Å | ||
| 1412 | L | 38 | Very low | 43.1 | Very low | 180 Ų | 180 | 126.5 Ų | 126.5 | 94% | 0.942 | 74% | 0.74 | S | S | * | * | trans | -134.8 | 93.3 | 155.1 | -89.7 | 97.1 | 0 | 0 | 0 | 108.3 | ||||
| 1413 | I | 32.4 | Very low | 41.4 | Very low | 136 Ų | 136 | 130.6 Ų | 130.6 | 70% | 0.697 | 75% | 0.75 | S | S | * | * | cis | 85.4 | 102.1 | 47.8 | -57.7 | 174.3 | 0 | 0 | 0 | 113.2 | Q1411 | Q1411-I1413 VanDerWaalsContact O-CD1 3.23Å; Q1411-I1413 WeakPolarHBondContact O-CD1 3.43Å | ||
| 1414 | T | 34.1 | Very low | 39.5 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | trans | 61.7 | 105.4 | 146.5 | -51.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 1415 | A | 31.5 | Very low | 37.9 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | -167.7 | 125.7 | 123.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1416 | P | 37.2 | Very low | 36.4 | Very low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 77% | 0.771 | S | S | * | * | trans | -105.5 | 168.2 | 178.8 | 39.8 | -33.7 | 0 | 0 | 0 | 113.8 | ||||
| 1417 | N | 33.8 | Very low | 35.1 | Very low | 135 Ų | 135 | 145.8 Ų | 145.8 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -171.5 | 121.3 | 142 | -104.7 | 29.3 | 0 | 0 | 0 | 106.8 | ||||
| 1418 | D | 32.9 | Very low | 34 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | 75.6 | 134.5 | 103.2 | -67.8 | -24.3 | 0 | 0 | 0 | 114.4 | |||||
| 1419 | S | 36.5 | Very low | 33.7 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | cis | -138.4 | 158.7 | 15.4 | -68.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1420 | M | 33.8 | Very low | 33.2 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 94% | 0.936 | 76% | 0.758 | S | S | * | * | trans | 26.9 | 133.1 | 148.3 | -57.5 | -172.4 | 75.4 | 0 | 0 | 120.6 | ||||
| 1421 | G | 36.1 | Very low | 32.7 | Very low | 67 Ų | 67 | 136.6 Ų | 136.6 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | 176 | -154 | 6.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1422 | Q | 39.4 | Very low | 32.4 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | 56.2 | 78.3 | -159 | -72.9 | -177.1 | -19.8 | 0 | 0 | 112.1 | ||||
| 1423 | Q | 33.1 | Very low | 32.2 | Very low | 167 Ų | 167 | 134.1 Ų | 134.1 | 78% | 0.78 | 75% | 0.75 | S | S | * | * | 62.2 | 103.4 | 81.6 | -66.7 | -169 | -3.3 | 0 | 0 | 110.7 | |||||
| 1424 | H | 29 | Very low | 32.1 | Very low | 143 Ų | 143 | 131.4 Ų | 131.4 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | 99.4 | 146.6 | 64.9 | -107.5 | -143.8 | 0 | 0 | 0 | 108.9 | |||||
| 1425 | R | 28.1 | Very low | 32 | Very low | 207 Ų | 207 | 136.5 Ų | 136.5 | 78% | 0.781 | 76% | 0.76 | S | S | * | * | trans | 65 | 126.9 | 148 | -69.5 | 178.5 | 178.7 | 171.8 | -2.5 | 115.7 | ||||
| 1426 | L | 27.3 | Very low | 32.2 | Very low | 129 Ų | 129 | 137 Ų | 137 | 68% | 0.675 | 76% | 0.757 | S | S | * | * | cis | -164.6 | 141.3 | 14 | -107.6 | 161.2 | 0 | 0 | 0 | 109.2 | ||||
| 1427 | L | 25.9 | Very low | 32.1 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 77% | 0.77 | 76% | 0.756 | S | S | * | * | trans | 64.9 | 157.1 | 150.8 | -50.4 | 168.4 | 0 | 0 | 0 | 116.8 | ||||
| 1428 | C | 22.9 | Very low | 31.9 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 70% | 0.696 | 76% | 0.763 | S | S | * | * | cis | -158.9 | 114.9 | -26.8 | -115.4 | 0 | 0 | 0 | 0 | 107.2 | P1430 | C1428-P1430 WeakPolarHBondContact O-CD 3.31Š| ||
| 1429 | A | 37.5 | Very low | 31.7 | Very low | 74 Ų | 74 | 136.9 Ų | 136.9 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 72.5 | -94.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | A376 | A376-A1429 VanDerWaalsContact O-CB 3.23Å; A376-A1429 WeakPolarHBondContact O-CB 3.18Å |
| 1430 | P | 32.1 | Very low | 31.6 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | -90.2 | 177.7 | -153 | 36.5 | -35.1 | 0 | 0 | 0 | 116.5 | C1428 | C1428-P1430 WeakPolarHBondContact O-CD 3.31Š| ||
| 1431 | I | 28.5 | Very low | 31.5 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 82% | 0.821 | 77% | 0.766 | S | S | * | * | trans | 75.1 | 138.7 | 164.1 | -19.6 | 179.8 | 0 | 0 | 0 | 119.1 | ||||
| 1432 | S | 31.3 | Very low | 31.5 | Very low | 99 Ų | 99 | 144.1 Ų | 144.1 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 92.6 | 116.4 | 142.5 | -139.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1433 | E | 32.2 | Very low | 31 | Very low | 191 Ų | 191 | 141 Ų | 141 | 89% | 0.893 | 76% | 0.764 | S | S | * | * | trans | 37.1 | 135.3 | 143.3 | -60.4 | -164.5 | -161.1 | 0 | 0 | 124.1 | ||||
| 1434 | G | 30.7 | Very low | 30.9 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | 172.3 | 54.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1435 | R | 33 | Very low | 30.8 | Very low | 238 Ų | 238 | 140.4 Ų | 140.4 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -13.1 | 149.4 | 174.9 | -65 | 175.6 | 171.1 | -161.4 | -2.6 | 118.8 | ||||
| 1436 | S | 35.5 | Very low | 30.8 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | cis | 170.6 | 162.1 | -14.9 | -95.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1437 | P | 34 | Very low | 31 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 69% | 0.688 | 79% | 0.785 | S | S | * | * | cis | -133.4 | 152.5 | -29.1 | 37.9 | -22.5 | 0 | 0 | 0 | 113.8 | ||||
| 1438 | L | 31.1 | Very low | 31.3 | Very low | 166 Ų | 166 | 138.9 Ų | 138.9 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | -175.7 | 125.6 | 125.7 | -121.4 | 68.8 | 0 | 0 | 0 | 110.7 | |||||
| 1439 | S | 28.7 | Very low | 31.6 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -54.4 | 144.4 | 171.8 | -100.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1440 | R | 34.2 | Very low | 31.4 | Very low | 231 Ų | 231 | 140.1 Ų | 140.1 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | cis | 50.1 | 100.3 | 27.8 | -83.8 | -164.7 | -177.1 | -118.3 | 3 | 115 | ||||
| 1441 | Q | 31.4 | Very low | 31.4 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | 175.4 | 126.7 | 140.8 | -91.9 | -85.9 | -74.3 | 0 | 0 | 109 | ||||
| 1442 | P | 37 | Very low | 31.6 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -99.8 | 179.9 | 164.9 | 38.9 | -32.3 | 0 | 0 | 0 | 111.6 | ||||
| 1443 | S | 28.5 | Very low | 31.8 | Very low | 121 Ų | 121 | 141.9 Ų | 141.9 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | trans | 79.1 | 174.6 | 169.3 | -48 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1444 | S | 29.7 | Very low | 31.9 | Very low | 106 Ų | 106 | 140.6 Ų | 140.6 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | trans | -96.8 | 174.4 | -157.4 | -46.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1445 | E | 28 | Very low | 31.9 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 90% | 0.897 | 79% | 0.787 | S | S | * | * | trans | 79.7 | 161.3 | 156.7 | -64.7 | 179.6 | 125.1 | 0 | 0 | 119.3 | ||||
| 1446 | S | 28.7 | Very low | 32 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -59.5 | 154.9 | -163 | -51.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1447 | M | 30.3 | Very low | 31.9 | Very low | 188 Ų | 188 | 136.6 Ų | 136.6 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | -164 | 165 | 128.6 | -97.4 | -89.3 | -92.7 | 0 | 0 | 110.5 | |||||
| 1448 | I | 31.6 | Very low | 31.9 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 76% | 0.764 | 78% | 0.784 | S | S | * | * | trans | -127.4 | 149.2 | -166.7 | -65.8 | 165.4 | 0 | 0 | 0 | 110.7 | ||||
| 1449 | S | 30.5 | Very low | 31.9 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | trans | 54.4 | 112.4 | 160.8 | 63.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1450 | A | 33.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -162.5 | 116.8 | 132.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1451 | V | 32.1 | Very low | 32.1 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 76% | 0.764 | 79% | 0.785 | S | S | * | * | 78.3 | 104.6 | 52.9 | -178.9 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1452 | S | 30.9 | Very low | 32.1 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 57.5 | 122.3 | 155.1 | -59.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1453 | Q | 36.7 | Very low | 31.8 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | -173 | 129.5 | 106.1 | -98.1 | 170 | 19.2 | 0 | 0 | 112.8 | |||||
| 1454 | Q | 34.8 | Very low | 31.9 | Very low | 164 Ų | 164 | 128 Ų | 128 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | trans | 57.5 | 155.8 | 137.1 | -60.7 | 172.7 | 2.1 | 0 | 0 | 121.3 | ||||
| 1455 | S | 30.2 | Very low | 31.9 | Very low | 89 Ų | 89 | 128 Ų | 128 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | cis | -172.7 | 161 | -26.9 | -93.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1456 | N | 35.9 | Very low | 31.8 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | trans | 66.6 | 120.7 | 158 | -58.1 | -10.3 | 0 | 0 | 0 | 117.8 | ||||
| 1457 | S | 32.7 | Very low | 31.8 | Very low | 107 Ų | 107 | 123.9 Ų | 123.9 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | 83.4 | 157.2 | 83.2 | 97.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1458 | S | 33.2 | Very low | 31.7 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | cis | -160.2 | 170.5 | -3.6 | 18.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1459 | V | 31.5 | Very low | 31.7 | Very low | 148 Ų | 148 | 118.4 Ų | 118.4 | 90% | 0.897 | 76% | 0.756 | S | S | * | * | trans | -50.1 | 141.3 | 177.9 | 179 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1460 | G | 34.1 | Very low | 31.8 | Very low | 74 Ų | 74 | 123.9 Ų | 123.9 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | trans | -156 | 127.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1461 | K | 33.3 | Very low | 31.9 | Very low | 194 Ų | 194 | 128.5 Ų | 128.5 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -76.8 | 154 | -161.1 | -58.7 | 165.8 | 173.8 | 173.5 | 0 | 117.6 | ||||
| 1462 | S | 30.6 | Very low | 32.1 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 77% | 0.774 | S | S | * | * | trans | 68.1 | 140.8 | 132.9 | 61.4 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 1463 | S | 31.2 | Very low | 32.5 | Very low | 106 Ų | 106 | 131.5 Ų | 131.5 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | 83.3 | 146 | 138 | 47.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1464 | S | 31.4 | Very low | 32.4 | Very low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | 62.7 | 89.8 | 155.5 | 48.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1465 | S | 27.7 | Very low | 32.4 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | 65.4 | 145.4 | 118.9 | 60.7 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1466 | S | 26.8 | Very low | 32.4 | Very low | 98 Ų | 98 | 132.7 Ų | 132.7 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | trans | 74.3 | 122.5 | 147.3 | 47.2 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1467 | T | 28.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 73% | 0.73 | 78% | 0.784 | S | S | * | * | trans | 68.9 | 112.8 | 140.7 | 52.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1468 | T | 28.7 | Very low | 33.2 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | 69.6 | 131.6 | 133 | 58.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 1469 | A | 30 | Very low | 33.6 | Very low | 88 Ų | 88 | 136.9 Ų | 136.9 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | 57.6 | 81.4 | 147.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | K1471 | A1469-K1471 PolarHBondContact O-N 3.01Š| ||
| 1470 | K | 34 | Very low | 34 | Very low | 220 Ų | 220 | 132.4 Ų | 132.4 | 96% | 0.957 | 76% | 0.762 | S | S | * | * | trans | -67.6 | 123 | 159.7 | -85.5 | -173.5 | 173.3 | -180 | 0 | 111.7 | ||||
| 1471 | K | 36.1 | Very low | 34.1 | Very low | 195 Ų | 195 | 136 Ų | 136 | 85% | 0.848 | 76% | 0.757 | S | S | * | * | trans | -97.7 | 137.5 | 167.8 | -63.2 | 167.8 | -179.4 | 167.2 | 0 | 109.9 | A1469 | A1469-K1471 PolarHBondContact O-N 3.01Š| ||
| 1472 | S | 36.3 | Very low | 34.7 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 88% | 0.881 | 76% | 0.757 | S | S | * | * | trans | 162.9 | 158.1 | 143.1 | 44.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1473 | K | 37.9 | Very low | 35.2 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 73% | 0.726 | 76% | 0.759 | S | S | * | * | -179.9 | 77.9 | -62.2 | 179.4 | -173 | 175.8 | -173 | 0 | 107.6 | |||||
| 1474 | S | 35 | Very low | 35.4 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 85% | 0.853 | 75% | 0.75 | S | S | * | * | trans | -154.2 | 153.1 | 148.6 | 65 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1475 | S | 34 | Very low | 35.8 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | cis | -116.9 | 157.6 | -6.8 | -169.6 | 0 | 0 | 0 | 0 | 110.6 | I1477 | S1475-I1477 PolarHBondContact O-N 3.41Š| ||
| 1476 | W | 32.1 | Very low | 36.2 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 79% | 0.788 | 74% | 0.739 | S | S | * | * | trans | -74.5 | 121.4 | 174.5 | -74.5 | -72 | 0 | 0 | 0 | 110.8 | ||||
| 1477 | I | 43.6 | Very low | 36.8 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 175.7 | 120.2 | 133.6 | -93.8 | 157.1 | 0 | 0 | 0 | 109.4 | S1475 | S1475-I1477 PolarHBondContact O-N 3.41Š|
| 1478 | R | 41.6 | Very low | 37.3 | Very low | 188 Ų | 188 | 140.6 Ų | 140.6 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | trans | 49.1 | 85.8 | 156.7 | -58.4 | 170.4 | -172.3 | 162.1 | -0.5 | 115.4 | S1480 | R1478-S1480 VanDerWaalsContact CA-N 3.34Å; R1478-S1480 WeakPolarHBondContact CG-OG 3.38Å | ||
| 1479 | S | 41.4 | Very low | 37.4 | Very low | 123 Ų | 123 | 143.9 Ų | 143.9 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | S | Bend | cis | 47 | 11.4 | 28.1 | 87.3 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1480 | S | 38.4 | Very low | 37.7 | Very low | 53 Ų | 53 | 148.2 Ų | 148.2 | 37% | 0.371 | 75% | 0.751 | S | S | . | * | trans | -142.5 | -22.4 | -174.2 | -50.8 | 0 | 0 | 0 | 0 | 115.1 | R1478 K1483 A1484 | R1478-S1480 VanDerWaalsContact CA-N 3.34Å; R1478-S1480 WeakPolarHBondContact CG-OG 3.38Å; S1480-K1483 CarbonylContact O-C 3.58Å; S1480-K1483 WeakPolarHBondContact O-CA 3.29Å; S1480-K1483 PolarHBondContact O-N 2.96Å; S1480-A1484 PolarHBondContact O-N 2.99Å | ||
| 1481 | F | 36.3 | Very low | 37.5 | Very low | 149 Ų | 149 | 145.3 Ų | 145.3 | 65% | 0.654 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -66.9 | -43.3 | 179.3 | -117.1 | -95.4 | 0 | 0 | 0 | 112.5 | K1483 A1484 F1485 | F1481-K1483 PolarHBondContact O-N 3.33Å; F1481-A1484 PolarHBondContact O-N 3.39Å; F1481-F1485 HydrophobicContact CD1-CD2 4.43Å; F1481-F1485 HydrophobicContact CE1-CD2 4.43Å; F1481-F1485 HydrophobicContact CE1-CE2 4.06Å; F1481-F1485 PolarHBondContact O-N 2.72Å |
| 1482 | N | 46.5 | Very low | 37.2 | Very low | 161 Ų | 161 | 143.7 Ų | 143.7 | 86% | 0.861 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -68.3 | 3.9 | 169.8 | -69.4 | 12.5 | 0 | 0 | 0 | 113.7 | ||
| 1483 | K | 40.5 | Very low | 36.8 | Very low | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -119.6 | 4.7 | 167.2 | -90.3 | -173.5 | 173 | -177.6 | 0 | 114.5 | S1480 F1481 S1486 | S1480-K1483 CarbonylContact O-C 3.58Å; S1480-K1483 WeakPolarHBondContact O-CA 3.29Å; S1480-K1483 PolarHBondContact O-N 2.96Å; F1481-K1483 PolarHBondContact O-N 3.33Å; K1483-S1486 VanDerWaalsContact CA-OG 3.31Å; K1483-S1486 WeakPolarHBondContact CA-OG 3.29Å |
| 1484 | A | 36.6 | Very low | 36.3 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 55% | 0.554 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -34.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1480 F1481 | S1480-A1484 PolarHBondContact O-N 2.99Å; F1481-A1484 PolarHBondContact O-N 3.39Å |
| 1485 | F | 40 | Very low | 36 | Very low | 181 Ų | 181 | 137.1 Ų | 137.1 | 79% | 0.794 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -88.8 | -12.5 | 167.2 | -78.6 | -71.2 | 0 | 0 | 0 | 113.6 | F1481 K1487 | F1481-F1485 HydrophobicContact CD1-CD2 4.43Å; F1481-F1485 HydrophobicContact CE1-CD2 4.43Å; F1481-F1485 HydrophobicContact CE1-CE2 4.06Å; F1481-F1485 PolarHBondContact O-N 2.72Å; F1485-K1487 VanDerWaalsContact C-N 3.32Å; F1485-K1487 PolarHBondContact O-N 3.48Å |
| 1486 | S | 36.6 | Very low | 35.8 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 43% | 0.427 | 72% | 0.718 | S | S | . | * | trans | -75.7 | 87 | 161.9 | 74.1 | 0 | 0 | 0 | 0 | 109.5 | K1483 A1488 | K1483-S1486 VanDerWaalsContact CA-OG 3.31Å; K1483-S1486 WeakPolarHBondContact CA-OG 3.29Å; S1486-A1488 PolarHBondContact O-N 3.24Å | ||
| 1487 | K | 38.9 | Very low | 35.7 | Very low | 198 Ų | 198 | 133.3 Ų | 133.3 | 86% | 0.861 | 71% | 0.713 | S | S | * | * | trans | -66.3 | 84.7 | 159.9 | -85.7 | -173.4 | 174.6 | 177.9 | 0 | 109.2 | F1485 | F1485-K1487 VanDerWaalsContact C-N 3.32Å; F1485-K1487 PolarHBondContact O-N 3.48Å | ||
| 1488 | A | 39.9 | Very low | 35.2 | Very low | 85 Ų | 85 | 133.5 Ų | 133.5 | 70% | 0.702 | 72% | 0.716 | S | S | * | * | trans | -66.4 | 172.7 | 145.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S1486 | S1486-A1488 PolarHBondContact O-N 3.24Š| ||
| 1489 | K | 30.4 | Very low | 35.1 | Very low | 203 Ų | 203 | 131.2 Ų | 131.2 | 88% | 0.883 | 72% | 0.716 | S | S | * | * | trans | 67.9 | 135.7 | -163.8 | -102.7 | 163.2 | 175.6 | 172.6 | 0 | 111.2 | ||||
| 1490 | K | 34.7 | Very low | 34.9 | Very low | 179 Ų | 179 | 130 Ų | 130 | 78% | 0.778 | 70% | 0.697 | S | S | * | * | cis | -142.3 | 122 | 34.3 | -178.9 | 174.6 | 179.3 | -177.3 | 0 | 112.6 | ||||
| 1491 | N | 31 | Very low | 34.5 | Very low | 159 Ų | 159 | 132 Ų | 132 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | trans | -60.4 | 139.8 | 158 | -63.9 | 3.7 | 0 | 0 | 0 | 108.9 | ||||
| 1492 | K | 29 | Very low | 34.6 | Very low | 162 Ų | 162 | 128 Ų | 128 | 70% | 0.704 | 70% | 0.701 | S | S | * | * | trans | -141.2 | 111.6 | 147.9 | -160.1 | -170.6 | -176.3 | -157.6 | 0 | 110.1 | C1494 | K1492-C1494 HydrophobicContact CD-CB 3.87Å; K1492-C1494 VanDerWaalsContact CE-CB 3.47Å; K1492-C1494 HydrophobicContact CG-CB 4.12Å | ||
| 1493 | A | 28.5 | Very low | 34.1 | Very low | 105 Ų | 105 | 124.6 Ų | 124.6 | 87% | 0.868 | 69% | 0.686 | S | S | * | * | trans | -79.5 | 119.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1494 | C | 27.6 | Very low | 33.7 | Very low | 78 Ų | 78 | 124 Ų | 124 | 53% | 0.527 | 69% | 0.689 | S | S | . | * | trans | 175 | 111 | 173.1 | -129.8 | 0 | 0 | 0 | 0 | 102.9 | K1492 | K1492-C1494 HydrophobicContact CD-CB 3.87Å; K1492-C1494 VanDerWaalsContact CE-CB 3.47Å; K1492-C1494 HydrophobicContact CG-CB 4.12Å | ||
| 1495 | S | 29.5 | Very low | 33.6 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 70% | 0.697 | S | S | * | * | cis | 60 | 113.4 | 40.7 | -149.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 1496 | N | 27.9 | Very low | 33.3 | Very low | 145 Ų | 145 | 120.8 Ų | 120.8 | 78% | 0.775 | 69% | 0.691 | S | S | * | * | trans | 66.5 | 138.9 | 174.8 | -46.7 | 42.5 | 0 | 0 | 0 | 112.9 | ||||
| 1497 | S | 31.7 | Very low | 33.3 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | cis | -169.1 | 162.6 | -5 | 30.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 1498 | D | 32.7 | Very low | 33.2 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | cis | -158.7 | 167.9 | -3.6 | -116.9 | -41.2 | 0 | 0 | 0 | 108.6 | ||||
| 1499 | I | 39.6 | Very low | 33.1 | Very low | 141 Ų | 141 | 124.2 Ų | 124.2 | 72% | 0.723 | 69% | 0.693 | S | S | * | * | trans | 43.6 | 137.3 | 146 | -111 | 145.5 | 0 | 0 | 0 | 120 | ||||
| 1500 | E | 36 | Very low | 33.2 | Very low | 98 Ų | 98 | 123 Ų | 123 | 46% | 0.458 | 69% | 0.69 | S | S | . | * | cis | -174.9 | -179.6 | -17.9 | -121.7 | 170.8 | 168.3 | 0 | 0 | 105.3 | S1521 T1522 | E1500-S1521 WeakPolarHBondContact OE1-CA 2.99Å; E1500-S1521 PolarHBondContact OE1-N 3.09Å; E1500-T1522 VanDerWaalsContact CD-O 3.25Å; E1500-T1522 PolarHBondContact OE1-N 2.89Å; E1500-T1522 PolarHBondContact OE2-N 3.4Å; E1500-T1522 VanDerWaalsContact OE2-O 3.08Å | ||
| 1501 | E | 31.7 | Very low | 33.2 | Very low | 94 Ų | 94 | 119.9 Ų | 119.9 | 44% | 0.439 | 69% | 0.69 | S | S | . | * | cis | -171.1 | 172 | 0.9 | 170.5 | 68.3 | 149.4 | 0 | 0 | 104.1 | T1503 T1522 | E1501-T1503 WeakPolarHBondContact CG-OG1 3.27Å; E1501-T1503 WeakPolarHBondContact OE1-CB 3.43Å; E1501-T1503 WeakPolarHBondContact OE1-CG2 3.26Å; E1501-T1503 PolarHBondContact OE1-OG1 3.47Å; E1501-T1522 WeakPolarHBondContact CB-O 3.47Å; E1501-T1522 WeakPolarHBondContact CG-O 3.33Å | ||
| 1502 | G | 36.7 | Very low | 33.4 | Very low | 65 Ų | 65 | 119.8 Ų | 119.8 | 67% | 0.67 | 69% | 0.69 | S | S | * | * | cis | 140.9 | -171.6 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1503 | T | 36.1 | Very low | 33.6 | Very low | 89 Ų | 89 | 117.3 Ų | 117.3 | 55% | 0.546 | 69% | 0.693 | S | S | . | * | cis | -160 | 154.9 | -10.6 | -7.9 | 0 | 0 | 0 | 0 | 112 | E1501 | E1501-T1503 WeakPolarHBondContact CG-OG1 3.27Å; E1501-T1503 WeakPolarHBondContact OE1-CB 3.43Å; E1501-T1503 WeakPolarHBondContact OE1-CG2 3.26Å; E1501-T1503 PolarHBondContact OE1-OG1 3.47Å | ||
| 1504 | I | 33.4 | Very low | 34 | Very low | 159 Ų | 159 | 117.6 Ų | 117.6 | 82% | 0.815 | 69% | 0.686 | S | S | * | * | trans | 67.2 | 160.1 | 159.2 | -74.7 | 163.7 | 0 | 0 | 0 | 113.5 | ||||
| 1505 | A | 32.8 | Very low | 34.4 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 72% | 0.719 | 70% | 0.696 | S | S | * | * | cis | -143.7 | 177.1 | 14 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1506 | S | 34.9 | Very low | 34.8 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 66% | 0.664 | 70% | 0.703 | S | S | * | * | cis | -175 | 178.2 | -21.8 | -96.3 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1507 | D | 36.2 | Very low | 35.2 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | trans | 66.9 | 161 | 165.6 | -71.1 | -12.2 | 0 | 0 | 0 | 117.4 | ||||
| 1508 | R | 37.4 | Very low | 35.2 | Very low | 210 Ų | 210 | 127.9 Ų | 127.9 | 79% | 0.792 | 70% | 0.704 | S | S | * | * | cis | -159.5 | 153.1 | -17.8 | -107.7 | 173.5 | -129.4 | -154.9 | 2.9 | 106.2 | ||||
| 1509 | S | 36.8 | Very low | 35.6 | Very low | 83 Ų | 83 | 131.8 Ų | 131.8 | 58% | 0.58 | 71% | 0.708 | S | S | * | * | cis | -168.2 | 173.7 | -17.1 | 43.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1510 | H | 33.6 | Very low | 35.3 | Very low | 179 Ų | 179 | 129.1 Ų | 129.1 | 83% | 0.829 | 70% | 0.702 | S | S | * | * | trans | 74.9 | 136.5 | 167.5 | -61.5 | -71.9 | 0 | 0 | 0 | 121.2 | ||||
| 1511 | S | 34.7 | Very low | 35.1 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 70% | 0.704 | S | S | * | * | trans | 90.4 | 99.1 | 166.7 | 71.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1512 | N | 34.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 128 Ų | 128 | 84% | 0.84 | 71% | 0.712 | S | S | * | * | trans | 60.8 | 65.9 | 139.3 | -59.5 | 1.2 | 0 | 0 | 0 | 122.5 | ||||
| 1513 | S | 33.6 | Very low | 34.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 71% | 0.708 | S | S | * | * | 19.7 | 163.5 | 103.8 | -72.8 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1514 | P | 36.9 | Very low | 34.3 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 73% | 0.727 | 72% | 0.716 | S | S | * | * | cis | -131.6 | -155.7 | -14.3 | 27.6 | -1.2 | 0 | 0 | 0 | 111 | ||||
| 1515 | K | 35.5 | Very low | 34 | Very low | 168 Ų | 168 | 124.8 Ų | 124.8 | 73% | 0.73 | 71% | 0.712 | S | S | * | * | cis | -150 | 168.4 | 9.1 | -60.5 | 178.7 | 177.4 | -176.7 | 0 | 110.8 | ||||
| 1516 | H | 38.1 | Very low | 33.7 | Very low | 170 Ų | 170 | 128.4 Ų | 128.4 | 79% | 0.787 | 71% | 0.711 | S | S | * | * | trans | 60.9 | 131.7 | 161.3 | -59.8 | -77.3 | 0 | 0 | 0 | 119.8 | ||||
| 1517 | R | 35.5 | Very low | 33.6 | Very low | 204 Ų | 204 | 132.8 Ų | 132.8 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | cis | -171.6 | 127.9 | -21.2 | -173.5 | -179.6 | -165.5 | 174 | 7.1 | 106.6 | ||||
| 1518 | A | 33.1 | Very low | 33.3 | Very low | 89 Ų | 89 | 131.3 Ų | 131.3 | 74% | 0.736 | 72% | 0.719 | S | S | * | * | cis | 97 | 94.4 | 13.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1519 | R | 39.8 | Very low | 33.1 | Very low | 223 Ų | 223 | 126 Ų | 126 | 84% | 0.842 | 72% | 0.715 | S | S | * | * | trans | 175.3 | 169.7 | 161.1 | -103.3 | -174.6 | 166.8 | 175.5 | -6.1 | 110.4 | ||||
| 1520 | S | 33.5 | Very low | 32.8 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 59% | 0.594 | 72% | 0.721 | S | S | * | * | -176.9 | 145.9 | -76.8 | 55.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 1521 | S | 32.9 | Very low | 32.7 | Very low | 71 Ų | 71 | 123.1 Ų | 123.1 | 50% | 0.497 | 72% | 0.715 | S | S | . | * | trans | 58.2 | 128.3 | 143.9 | 65.2 | 0 | 0 | 0 | 0 | 122.7 | E1500 | E1500-S1521 WeakPolarHBondContact OE1-CA 2.99Å; E1500-S1521 PolarHBondContact OE1-N 3.09Å | ||
| 1522 | T | 33 | Very low | 32.7 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 61% | 0.607 | 72% | 0.715 | S | S | * | * | 177.6 | 177.3 | 125.1 | -65.7 | 0 | 0 | 0 | 0 | 107.2 | E1500 E1501 | E1500-T1522 VanDerWaalsContact CD-O 3.25Å; E1500-T1522 PolarHBondContact OE1-N 2.89Å; E1500-T1522 PolarHBondContact OE2-N 3.4Å; E1500-T1522 VanDerWaalsContact OE2-O 3.08Å; E1501-T1522 WeakPolarHBondContact CB-O 3.47Å; E1501-T1522 WeakPolarHBondContact CG-O 3.33Å | |||
| 1523 | G | 26.8 | Very low | 32.8 | Very low | 57 Ų | 57 | 120.4 Ų | 120.4 | 59% | 0.588 | 71% | 0.713 | S | S | * | * | trans | -173.5 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1524 | G | 27.3 | Very low | 32.6 | Very low | 69 Ų | 69 | 120.2 Ų | 120.2 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | trans | 112.6 | 170.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1525 | T | 27.4 | Very low | 32.7 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 72% | 0.724 | 71% | 0.713 | S | S | * | * | trans | 58.1 | 104 | 172.1 | 48 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1526 | K | 26.4 | Very low | 32.6 | Very low | 164 Ų | 164 | 117.2 Ų | 117.2 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | 88.4 | 159.2 | 64.1 | -81.9 | -176.5 | -173.8 | 176.3 | 0 | 112.6 | |||||
| 1527 | Y | 31.6 | Very low | 32.8 | Very low | 186 Ų | 186 | 115 Ų | 115 | 73% | 0.729 | 71% | 0.711 | S | S | * | * | trans | 75.8 | 105.5 | 173.8 | -42.7 | -66.5 | 0 | 0 | 0 | 112.7 | ||||
| 1528 | A | 31.4 | Very low | 33.1 | Very low | 92 Ų | 92 | 110.7 Ų | 110.7 | 76% | 0.76 | 70% | 0.703 | S | S | * | * | 77 | 132.5 | 64.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1529 | S | 31.8 | Very low | 33.8 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | cis | -164.4 | -168.5 | -4.9 | 49 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1530 | S | 30.4 | Very low | 34.7 | Very low | 101 Ų | 101 | 108.4 Ų | 108.4 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | 42.9 | 141.9 | 136.5 | 69.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1531 | S | 33.1 | Very low | 36.1 | Very low | 100 Ų | 100 | 108.4 Ų | 108.4 | 70% | 0.699 | 69% | 0.688 | S | S | * | * | cis | 179.7 | -161.4 | -8.1 | 55.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1532 | S | 33.7 | Very low | 38.2 | Very low | 113 Ų | 113 | 109.7 Ų | 109.7 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | trans | 75 | 150.3 | 160.8 | 80.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1533 | A | 37 | Very low | 40.3 | Very low | 98 Ų | 98 | 112.4 Ų | 112.4 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | cis | -120.5 | 136.5 | 1.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1534 | S | 29.6 | Very low | 42.7 | Very low | 107 Ų | 107 | 116.6 Ų | 116.6 | 75% | 0.748 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 159.2 | 174.5 | -36.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1535 | P | 38.1 | Very low | 45.1 | Very low | 113 Ų | 113 | 118.2 Ų | 118.2 | 73% | 0.734 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 136.4 | 135.4 | 33.4 | -27.8 | 0 | 0 | 0 | 108.9 | ||
| 1536 | A | 33.9 | Very low | 47.7 | Very low | 103 Ų | 103 | 115.4 Ų | 115.4 | 85% | 0.851 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 124.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 1537 | I | 42.4 | Very low | 50.5 | Low | 124 Ų | 124 | 115.7 Ų | 115.7 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -142.8 | 155.9 | 170.5 | -51.7 | -179.4 | 0 | 0 | 0 | 106.2 | D1541 | I1537-D1541 HydrophobicContact CG2-CB 4.47Š| ||
| 1538 | D | 42.4 | Very low | 52.8 | Low | 113 Ų | 113 | 109.1 Ų | 109.1 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | trans | -62.1 | 151.8 | -160.3 | -137.1 | -34 | 0 | 0 | 0 | 115.3 | T1540 D1541 I1542 | D1538-T1540 VanDerWaalsContact C-N 3.29Å; D1538-T1540 PolarHBondContact O-N 2.87Å; D1538-D1541 PolarHBondContact O-N 3.21Å; D1538-D1541 VanDerWaalsContact O-N 3.15Å; D1538-I1542 PolarHBondContact O-N 3.42Å | ||
| 1539 | E | 47.4 | Very low | 55.3 | Low | 165 Ų | 165 | 109.3 Ų | 109.3 | 77% | 0.771 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -70.5 | -27.2 | -169.4 | -157.3 | 166.8 | -134.5 | 0 | 0 | 112.2 | E1543 | E1539-E1543 PolarHBondContact O-N 3.22Å |
| 1540 | T | 59 | Low | 57.9 | Low | 99 Ų | 99 | 110.9 Ų | 110.9 | 61% | 0.607 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.6 | -37 | 172 | 48.8 | 0 | 0 | 0 | 0 | 113.4 | D1538 I1542 E1543 E1544 | D1538-T1540 VanDerWaalsContact C-N 3.29Å; D1538-T1540 PolarHBondContact O-N 2.87Å; T1540-I1542 PolarHBondContact O-N 3.05Å; T1540-E1543 PolarHBondContact O-N 3.36Å; T1540-E1544 PolarHBondContact O-N 2.99Å |
| 1541 | D | 62.8 | Low | 60.7 | Low | 86 Ų | 86 | 112.5 Ų | 112.5 | 46% | 0.46 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.7 | -30.7 | 179.8 | -71 | 7.4 | 0 | 0 | 0 | 110.7 | I1537 D1538 L1545 | I1537-D1541 HydrophobicContact CG2-CB 4.47Å; D1538-D1541 PolarHBondContact O-N 3.21Å; D1538-D1541 VanDerWaalsContact O-N 3.15Å; D1541-L1545 WeakPolarHBondContact O-CB 3.23Å; D1541-L1545 PolarHBondContact O-N 3.03Å |
| 1542 | I | 75.9 | Confident | 62.9 | Low | 97 Ų | 97 | 111.9 Ų | 111.9 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69 | -41.1 | 175.3 | -59.7 | 175.1 | 0 | 0 | 0 | 110.5 | D1538 T1540 V1546 | D1538-I1542 PolarHBondContact O-N 3.42Å; T1540-I1542 PolarHBondContact O-N 3.05Å; I1542-V1546 HydrophobicContact CG2-CG2 4.31Å; I1542-V1546 VanDerWaalsContact O-CB 3.23Å; I1542-V1546 WeakPolarHBondContact O-CB 3.33Å; I1542-V1546 WeakPolarHBondContact O-CG2 3.46Å; I1542-V1546 PolarHBondContact O-N 2.97Å |
| 1543 | E | 77.4 | Confident | 65.5 | Low | 156 Ų | 156 | 111.6 Ų | 111.6 | 73% | 0.729 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.6 | -44.3 | 175.2 | -71.2 | -134.7 | 123.4 | 0 | 0 | 112.2 | E1539 T1540 V1546 Y1547 | E1539-E1543 PolarHBondContact O-N 3.22Å; T1540-E1543 PolarHBondContact O-N 3.36Å; E1543-V1546 PolarHBondContact O-N 3.03Å; E1543-Y1547 VanDerWaalsContact O-CB 3.32Å; E1543-Y1547 WeakPolarHBondContact O-CB 3.22Å; E1543-Y1547 PolarHBondContact O-N 2.94Å |
| 1544 | E | 77.4 | Confident | 67.8 | Low | 145 Ų | 145 | 111.6 Ų | 111.6 | 68% | 0.678 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -65.9 | -41.2 | 176.1 | -172.9 | 172 | -174.7 | 0 | 0 | 111.6 | T1540 V1546 Y1547 S1548 | T1540-E1544 PolarHBondContact O-N 2.99Å; E1544-V1546 PolarHBondContact O-N 3.46Å; E1544-Y1547 PolarHBondContact O-N 2.99Å; E1544-S1548 WeakPolarHBondContact O-CB 3.49Å; E1544-S1548 PolarHBondContact O-N 2.97Å |
| 1545 | L | 77.6 | Confident | 70.4 | Confident | 104 Ų | 104 | 112 Ų | 112 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 175.3 | -176.1 | 64.3 | 0 | 0 | 0 | 111.6 | D1541 S1548 L1549 | D1541-L1545 WeakPolarHBondContact O-CB 3.23Å; D1541-L1545 PolarHBondContact O-N 3.03Å; L1545-S1548 PolarHBondContact O-N 3.44Å; L1545-L1549 HydrophobicContact CD1-CD1 4.3Å; L1545-L1549 HydrophobicContact CD1-CG 4.37Å; L1545-L1549 HydrophobicContact CG-CD1 3.98Å; L1545-L1549 HydrophobicContact CG-CG 4.46Å; L1545-L1549 VanDerWaalsContact O-CB 3.28Å; L1545-L1549 WeakPolarHBondContact O-CB 3.27Å; L1545-L1549 WeakPolarHBondContact O-CG 3.34Å; L1545-L1549 PolarHBondContact O-N 3.21Å |
| 1546 | V | 83 | Confident | 72.8 | Confident | 59 Ų | 59 | 112.1 Ų | 112.1 | 36% | 0.358 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.9 | -36.8 | 175.3 | 165.8 | 0 | 0 | 0 | 0 | 111.3 | I1542 E1543 E1544 K1550 | I1542-V1546 HydrophobicContact CG2-CG2 4.31Å; I1542-V1546 VanDerWaalsContact O-CB 3.23Å; I1542-V1546 WeakPolarHBondContact O-CB 3.33Å; I1542-V1546 WeakPolarHBondContact O-CG2 3.46Å; I1542-V1546 PolarHBondContact O-N 2.97Å; E1543-V1546 PolarHBondContact O-N 3.03Å; E1544-V1546 PolarHBondContact O-N 3.46Å; V1546-K1550 HydrophobicContact CG1-CD 3.89Å; V1546-K1550 VanDerWaalsContact CG1-CE 3.42Å; V1546-K1550 HydrophobicContact CG1-CG 4.42Å; V1546-K1550 VanDerWaalsContact O-CB 3.27Å; V1546-K1550 WeakPolarHBondContact O-CB 3.43Å; V1546-K1550 WeakPolarHBondContact O-CD 3.43Å; V1546-K1550 WeakPolarHBondContact O-CG 3.11Å; V1546-K1550 PolarHBondContact O-N 2.87Å |
| 1547 | Y | 84.5 | Confident | 75.5 | Confident | 169 Ų | 169 | 111 Ų | 111 | 66% | 0.663 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.2 | -45.1 | 173.7 | -173.2 | -92.8 | 0 | 0 | 0 | 111.4 | E1543 E1544 K1550 K1551 | E1543-Y1547 VanDerWaalsContact O-CB 3.32Å; E1543-Y1547 WeakPolarHBondContact O-CB 3.22Å; E1543-Y1547 PolarHBondContact O-N 2.94Å; E1544-Y1547 PolarHBondContact O-N 2.99Å; Y1547-K1550 PolarHBondContact O-N 3.43Å; Y1547-K1551 VanDerWaalsContact O-CB 3.32Å; Y1547-K1551 WeakPolarHBondContact O-CB 3.17Å; Y1547-K1551 PolarHBondContact O-N 3.17Å |
| 1548 | S | 80.6 | Confident | 77.6 | Confident | 49 Ų | 49 | 107.6 Ų | 107.6 | 34% | 0.343 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.3 | -45.3 | 174.3 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | E1544 L1545 K1551 Q1552 | E1544-S1548 WeakPolarHBondContact O-CB 3.49Å; E1544-S1548 PolarHBondContact O-N 2.97Å; L1545-S1548 PolarHBondContact O-N 3.44Å; S1548-K1551 PolarHBondContact O-N 3.36Å; S1548-Q1552 WeakPolarHBondContact O-CB 3.3Å; S1548-Q1552 PolarHBondContact O-N 3.05Å |
| 1549 | L | 82.7 | Confident | 79.7 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 50% | 0.497 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 176.2 | -73.6 | 170.4 | 0 | 0 | 0 | 112.3 | L1545 Q1552 L1553 | L1545-L1549 HydrophobicContact CD1-CD1 4.3Å; L1545-L1549 HydrophobicContact CD1-CG 4.37Å; L1545-L1549 HydrophobicContact CG-CD1 3.98Å; L1545-L1549 HydrophobicContact CG-CG 4.46Å; L1545-L1549 VanDerWaalsContact O-CB 3.28Å; L1545-L1549 WeakPolarHBondContact O-CB 3.27Å; L1545-L1549 WeakPolarHBondContact O-CG 3.34Å; L1545-L1549 PolarHBondContact O-N 3.21Å; L1549-Q1552 PolarHBondContact O-N 3.47Å; L1549-L1553 VanDerWaalsContact O-CB 3.3Å; L1549-L1553 WeakPolarHBondContact O-CB 3.26Å; L1549-L1553 PolarHBondContact O-N 2.84Å |
| 1550 | K | 86.7 | Confident | 81.5 | Confident | 132 Ų | 132 | 101.7 Ų | 101.7 | 57% | 0.574 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.3 | -43.8 | 172 | -77.7 | 166.8 | -179.4 | 167.4 | 0 | 111.1 | V1546 Y1547 L1553 V1554 | V1546-K1550 HydrophobicContact CG1-CD 3.89Å; V1546-K1550 VanDerWaalsContact CG1-CE 3.42Å; V1546-K1550 HydrophobicContact CG1-CG 4.42Å; V1546-K1550 VanDerWaalsContact O-CB 3.27Å; V1546-K1550 WeakPolarHBondContact O-CB 3.43Å; V1546-K1550 WeakPolarHBondContact O-CD 3.43Å; V1546-K1550 WeakPolarHBondContact O-CG 3.11Å; V1546-K1550 PolarHBondContact O-N 2.87Å; Y1547-K1550 PolarHBondContact O-N 3.43Å; K1550-L1553 PolarHBondContact O-N 3.35Å; K1550-V1554 WeakPolarHBondContact O-CG2 3.38Å; K1550-V1554 PolarHBondContact O-N 3.3Å |
| 1551 | K | 88.7 | Confident | 83 | Confident | 135 Ų | 135 | 100.1 Ų | 100.1 | 59% | 0.587 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 175.2 | -175.5 | 179.7 | 177.8 | -177.3 | 0 | 111.3 | Y1547 S1548 L1553 V1554 E1555 | Y1547-K1551 VanDerWaalsContact O-CB 3.32Å; Y1547-K1551 WeakPolarHBondContact O-CB 3.17Å; Y1547-K1551 PolarHBondContact O-N 3.17Å; S1548-K1551 PolarHBondContact O-N 3.36Å; K1551-L1553 VanDerWaalsContact C-N 3.28Å; K1551-L1553 PolarHBondContact O-N 2.88Å; K1551-V1554 PolarHBondContact O-N 2.89Å; K1551-E1555 VanDerWaalsContact O-CB 3.26Å; K1551-E1555 WeakPolarHBondContact O-CB 3.17Å; K1551-E1555 PolarHBondContact O-N 3.23Å |
| 1552 | Q | 81 | Confident | 84.2 | Confident | 88 Ų | 88 | 101 Ų | 101 | 41% | 0.411 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -29.3 | 174.4 | -80.6 | -156.8 | 30.6 | 0 | 0 | 113.8 | S1548 L1549 K1556 | S1548-Q1552 WeakPolarHBondContact O-CB 3.3Å; S1548-Q1552 PolarHBondContact O-N 3.05Å; L1549-Q1552 PolarHBondContact O-N 3.47Å; Q1552-K1556 WeakPolarHBondContact O-CB 3.3Å; Q1552-K1556 VanDerWaalsContact O-CG 3.27Å; Q1552-K1556 WeakPolarHBondContact O-CG 3.18Å; Q1552-K1556 PolarHBondContact O-N 2.82Å |
| 1553 | L | 86.8 | Confident | 84.7 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.8 | -48.3 | 176.1 | -171.6 | 67.5 | 0 | 0 | 0 | 110.1 | L1549 K1550 K1551 E1555 K1556 D1557 | L1549-L1553 VanDerWaalsContact O-CB 3.3Å; L1549-L1553 WeakPolarHBondContact O-CB 3.26Å; L1549-L1553 PolarHBondContact O-N 2.84Å; K1550-L1553 PolarHBondContact O-N 3.35Å; K1551-L1553 VanDerWaalsContact C-N 3.28Å; K1551-L1553 PolarHBondContact O-N 2.88Å; L1553-E1555 VanDerWaalsContact C-N 3.29Å; L1553-E1555 PolarHBondContact O-N 2.95Å; L1553-K1556 CarbonylContact O-C 3.17Å; L1553-K1556 PolarHBondContact O-N 3.47Å; L1553-D1557 WeakPolarHBondContact O-CB 3.32Å; L1553-D1557 PolarHBondContact O-N 2.87Å |
| 1554 | V | 86.3 | Confident | 85.2 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 60% | 0.6 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.7 | -39.1 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 111.7 | K1550 K1551 D1557 S1558 | K1550-V1554 WeakPolarHBondContact O-CG2 3.38Å; K1550-V1554 PolarHBondContact O-N 3.3Å; K1551-V1554 PolarHBondContact O-N 2.89Å; V1554-D1557 PolarHBondContact O-N 3.44Å; V1554-S1558 WeakPolarHBondContact O-CB 3.27Å; V1554-S1558 PolarHBondContact O-N 2.84Å; V1554-S1558 PolarHBondContact O-OG 3.28Å |
| 1555 | E | 84.5 | Confident | 85.7 | Confident | 116 Ų | 116 | 98.4 Ų | 98.4 | 54% | 0.542 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.5 | -30.5 | 177.5 | -168.6 | 168.2 | -130.9 | 0 | 0 | 112.8 | K1551 L1553 S1558 V1559 | K1551-E1555 VanDerWaalsContact O-CB 3.26Å; K1551-E1555 WeakPolarHBondContact O-CB 3.17Å; K1551-E1555 PolarHBondContact O-N 3.23Å; L1553-E1555 VanDerWaalsContact C-N 3.29Å; L1553-E1555 PolarHBondContact O-N 2.95Å; E1555-S1558 PolarHBondContact O-OG 2.82Å; E1555-V1559 WeakPolarHBondContact O-CB 3.37Å; E1555-V1559 VanDerWaalsContact O-CG2 3.27Å; E1555-V1559 WeakPolarHBondContact O-CG2 3.27Å; E1555-V1559 PolarHBondContact O-N 3.34Å |
| 1556 | K | 88.8 | Confident | 86.1 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -75 | -34.4 | 168.8 | -76.7 | 179.9 | -171.1 | 69.5 | 0 | 112.3 | Q1552 L1553 L1560 | Q1552-K1556 WeakPolarHBondContact O-CB 3.3Å; Q1552-K1556 VanDerWaalsContact O-CG 3.27Å; Q1552-K1556 WeakPolarHBondContact O-CG 3.18Å; Q1552-K1556 PolarHBondContact O-N 2.82Å; L1553-K1556 CarbonylContact O-C 3.17Å; L1553-K1556 PolarHBondContact O-N 3.47Å; K1556-L1560 VanDerWaalsContact O-CB 3.26Å; K1556-L1560 WeakPolarHBondContact O-CB 3.23Å; K1556-L1560 VanDerWaalsContact O-CG 3.28Å; K1556-L1560 WeakPolarHBondContact O-CG 3.16Å; K1556-L1560 PolarHBondContact O-N 2.87Å |
| 1557 | D | 89.8 | Confident | 86.3 | Confident | 80 Ų | 80 | 100 Ų | 100 | 43% | 0.428 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.7 | -33.1 | 177.1 | -85.6 | -30.1 | 0 | 0 | 0 | 112.4 | L1553 V1554 T1561 | L1553-D1557 WeakPolarHBondContact O-CB 3.32Å; L1553-D1557 PolarHBondContact O-N 2.87Å; V1554-D1557 PolarHBondContact O-N 3.44Å; D1557-T1561 VanDerWaalsContact O-CB 3.28Å; D1557-T1561 WeakPolarHBondContact O-CB 3.38Å; D1557-T1561 PolarHBondContact O-N 2.91Å; D1557-T1561 PolarHBondContact O-OG1 3.39Å |
| 1558 | S | 86.2 | Confident | 86.3 | Confident | 53 Ų | 53 | 97.6 Ų | 97.6 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66 | -47.8 | 169.5 | 65.8 | 0 | 0 | 0 | 0 | 110.8 | V1554 E1555 L1560 T1561 D1562 | V1554-S1558 WeakPolarHBondContact O-CB 3.27Å; V1554-S1558 PolarHBondContact O-N 2.84Å; V1554-S1558 PolarHBondContact O-OG 3.28Å; E1555-S1558 PolarHBondContact O-OG 2.82Å; S1558-L1560 PolarHBondContact O-N 3.41Å; S1558-T1561 CarbonylContact O-C 3.52Å; S1558-T1561 WeakPolarHBondContact O-CA 3.38Å; S1558-T1561 WeakPolarHBondContact O-CB 3.46Å; S1558-T1561 PolarHBondContact O-N 3.48Å; S1558-D1562 PolarHBondContact O-N 2.93Å |
| 1559 | V | 86.4 | Confident | 86.5 | Confident | 74 Ų | 74 | 98.7 Ų | 98.7 | 45% | 0.448 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 174.9 | 169.9 | 0 | 0 | 0 | 0 | 112.1 | E1555 T1561 D1562 I1563 | E1555-V1559 WeakPolarHBondContact O-CB 3.37Å; E1555-V1559 VanDerWaalsContact O-CG2 3.27Å; E1555-V1559 WeakPolarHBondContact O-CG2 3.27Å; E1555-V1559 PolarHBondContact O-N 3.34Å; V1559-T1561 VanDerWaalsContact C-N 3.29Å; V1559-T1561 PolarHBondContact O-N 3.12Å; V1559-D1562 PolarHBondContact O-N 3.49Å; V1559-I1563 HydrophobicContact CG1-CD1 3.73Å; V1559-I1563 HydrophobicContact CG1-CG1 4.41Å; V1559-I1563 WeakPolarHBondContact O-CB 3.43Å; V1559-I1563 WeakPolarHBondContact O-CD1 3.43Å; V1559-I1563 WeakPolarHBondContact O-CG1 3.3Å; V1559-I1563 PolarHBondContact O-N 3.27Å |
| 1560 | L | 84.9 | Confident | 86.6 | Confident | 79 Ų | 79 | 96.7 Ų | 96.7 | 41% | 0.414 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 172.4 | -83 | 164.6 | 0 | 0 | 0 | 112.5 | K1556 S1558 R1564 | K1556-L1560 VanDerWaalsContact O-CB 3.26Å; K1556-L1560 WeakPolarHBondContact O-CB 3.23Å; K1556-L1560 VanDerWaalsContact O-CG 3.28Å; K1556-L1560 WeakPolarHBondContact O-CG 3.16Å; K1556-L1560 PolarHBondContact O-N 2.87Å; S1558-L1560 PolarHBondContact O-N 3.41Å; L1560-R1564 WeakPolarHBondContact O-CB 3.44Å; L1560-R1564 WeakPolarHBondContact O-CD 3.48Å; L1560-R1564 WeakPolarHBondContact O-CG 3.4Å; L1560-R1564 PolarHBondContact O-N 3.48Å |
| 1561 | T | 90.3 | Very high | 86.6 | Confident | 66 Ų | 66 | 92.7 Ų | 92.7 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -73.7 | -44.3 | 176 | -61 | 0 | 0 | 0 | 0 | 110.9 | D1557 S1558 V1559 R1564 L1565 | D1557-T1561 VanDerWaalsContact O-CB 3.28Å; D1557-T1561 WeakPolarHBondContact O-CB 3.38Å; D1557-T1561 PolarHBondContact O-N 2.91Å; D1557-T1561 PolarHBondContact O-OG1 3.39Å; S1558-T1561 CarbonylContact O-C 3.52Å; S1558-T1561 WeakPolarHBondContact O-CA 3.38Å; S1558-T1561 WeakPolarHBondContact O-CB 3.46Å; S1558-T1561 PolarHBondContact O-N 3.48Å; V1559-T1561 VanDerWaalsContact C-N 3.29Å; V1559-T1561 PolarHBondContact O-N 3.12Å; T1561-R1564 CarbonylContact O-C 3.47Å; T1561-R1564 WeakPolarHBondContact O-CB 3.3Å; T1561-R1564 PolarHBondContact O-N 3.35Å; T1561-R1564 VanDerWaalsContact O-N 3.14Å; T1561-L1565 HydrophobicContact CG2-CD1 4.16Å; T1561-L1565 WeakPolarHBondContact O-CG 3.04Å; T1561-L1565 PolarHBondContact O-N 3.49Å |
| 1562 | D | 88.8 | Confident | 86.6 | Confident | 104 Ų | 104 | 92.1 Ų | 92.1 | 56% | 0.556 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.4 | -44.2 | 174.2 | -77.2 | -13.2 | 0 | 0 | 0 | 111.5 | S1558 V1559 R1564 L1565 E1566 | S1558-D1562 PolarHBondContact O-N 2.93Å; V1559-D1562 PolarHBondContact O-N 3.49Å; D1562-R1564 VanDerWaalsContact C-N 3.29Å; D1562-R1564 PolarHBondContact O-N 3.39Å; D1562-L1565 PolarHBondContact O-N 2.84Å; D1562-L1565 VanDerWaalsContact O-N 3.14Å; D1562-E1566 WeakPolarHBondContact O-CB 3.39Å; D1562-E1566 PolarHBondContact O-N 2.81Å |
| 1563 | I | 86.5 | Confident | 86.7 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 48% | 0.482 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -36.2 | 173.5 | -70.3 | 167.6 | 0 | 0 | 0 | 111.3 | V1559 A1567 | V1559-I1563 HydrophobicContact CG1-CD1 3.73Å; V1559-I1563 HydrophobicContact CG1-CG1 4.41Å; V1559-I1563 WeakPolarHBondContact O-CB 3.43Å; V1559-I1563 WeakPolarHBondContact O-CD1 3.43Å; V1559-I1563 WeakPolarHBondContact O-CG1 3.3Å; V1559-I1563 PolarHBondContact O-N 3.27Å; I1563-A1567 WeakPolarHBondContact O-CB 3.41Å; I1563-A1567 PolarHBondContact O-N 2.79Å |
| 1564 | R | 87.8 | Confident | 86.8 | Confident | 157 Ų | 157 | 91.4 Ų | 91.4 | 59% | 0.592 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -68.5 | -38.8 | 173.6 | -78.2 | 166.5 | 179 | 167.6 | 2.7 | 112.2 | L1560 T1561 D1562 A1567 L1568 | L1560-R1564 WeakPolarHBondContact O-CB 3.44Å; L1560-R1564 WeakPolarHBondContact O-CD 3.48Å; L1560-R1564 WeakPolarHBondContact O-CG 3.4Å; L1560-R1564 PolarHBondContact O-N 3.48Å; T1561-R1564 CarbonylContact O-C 3.47Å; T1561-R1564 WeakPolarHBondContact O-CB 3.3Å; T1561-R1564 PolarHBondContact O-N 3.35Å; T1561-R1564 VanDerWaalsContact O-N 3.14Å; D1562-R1564 VanDerWaalsContact C-N 3.29Å; D1562-R1564 PolarHBondContact O-N 3.39Å; R1564-A1567 PolarHBondContact O-N 3.28Å; R1564-L1568 WeakPolarHBondContact O-CB 3.41Å; R1564-L1568 VanDerWaalsContact O-CG 3.31Å; R1564-L1568 WeakPolarHBondContact O-CG 3.45Å; R1564-L1568 PolarHBondContact O-N 2.75Å |
| 1565 | L | 87.4 | Confident | 86.8 | Confident | 94 Ų | 94 | 90.8 Ų | 90.8 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.7 | -37.7 | 177.1 | -70.5 | 170.6 | 0 | 0 | 0 | 111.8 | T1561 D1562 L1568 T1569 | T1561-L1565 HydrophobicContact CG2-CD1 4.16Å; T1561-L1565 WeakPolarHBondContact O-CG 3.04Å; T1561-L1565 PolarHBondContact O-N 3.49Å; D1562-L1565 PolarHBondContact O-N 2.84Å; D1562-L1565 VanDerWaalsContact O-N 3.14Å; L1565-L1568 PolarHBondContact O-N 3.23Å; L1565-T1569 VanDerWaalsContact O-CB 3.29Å; L1565-T1569 WeakPolarHBondContact O-CB 3.33Å; L1565-T1569 PolarHBondContact O-N 3.18Å; L1565-T1569 PolarHBondContact O-OG1 2.98Å |
| 1566 | E | 85.7 | Confident | 86.7 | Confident | 141 Ų | 141 | 90.9 Ų | 90.9 | 66% | 0.659 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -68.5 | -39.6 | 171.6 | -173.6 | 172.1 | -148.3 | 0 | 0 | 111.3 | D1562 T1569 S1570 | D1562-E1566 WeakPolarHBondContact O-CB 3.39Å; D1562-E1566 PolarHBondContact O-N 2.81Å; E1566-T1569 PolarHBondContact O-N 2.73Å; E1566-S1570 VanDerWaalsContact O-CB 3.25Å; E1566-S1570 WeakPolarHBondContact O-CB 3.41Å; E1566-S1570 PolarHBondContact O-N 3.23Å; E1566-S1570 PolarHBondContact O-OG 3.47Å |
| 1567 | A | 86.9 | Confident | 86.5 | Confident | 55 Ų | 55 | 91.1 Ų | 91.1 | 46% | 0.455 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -40.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | I1563 R1564 S1570 A1571 | I1563-A1567 WeakPolarHBondContact O-CB 3.41Å; I1563-A1567 PolarHBondContact O-N 2.79Å; R1564-A1567 PolarHBondContact O-N 3.28Å; A1567-S1570 WeakPolarHBondContact CA-OG 3.11Å; A1567-S1570 PolarHBondContact O-OG 2.75Å; A1567-S1570 VanDerWaalsContact O-OG 3.12Å; A1567-A1571 VanDerWaalsContact O-CB 3.24Å; A1567-A1571 WeakPolarHBondContact O-CB 3.39Å; A1567-A1571 PolarHBondContact O-N 3.48Å |
| 1568 | L | 85.2 | Confident | 86.3 | Confident | 119 Ų | 119 | 92.6 Ų | 92.6 | 62% | 0.623 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 173.9 | -78.2 | 165.2 | 0 | 0 | 0 | 111.7 | R1564 L1565 A1571 Q1572 | R1564-L1568 WeakPolarHBondContact O-CB 3.41Å; R1564-L1568 VanDerWaalsContact O-CG 3.31Å; R1564-L1568 WeakPolarHBondContact O-CG 3.45Å; R1564-L1568 PolarHBondContact O-N 2.75Å; L1565-L1568 PolarHBondContact O-N 3.23Å; L1568-A1571 PolarHBondContact O-N 3.35Å; L1568-Q1572 PolarHBondContact O-N 3.33Å |
| 1569 | T | 85.4 | Confident | 86.3 | Confident | 72 Ų | 72 | 94.9 Ų | 94.9 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -41.9 | 179.3 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L1565 E1566 Q1572 Q1573 | L1565-T1569 VanDerWaalsContact O-CB 3.29Å; L1565-T1569 WeakPolarHBondContact O-CB 3.33Å; L1565-T1569 PolarHBondContact O-N 3.18Å; L1565-T1569 PolarHBondContact O-OG1 2.98Å; E1566-T1569 PolarHBondContact O-N 2.73Å; T1569-Q1572 PolarHBondContact O-N 2.88Å; T1569-Q1573 WeakPolarHBondContact O-CG 3.07Å; T1569-Q1573 PolarHBondContact O-N 3.26Å |
| 1570 | S | 84.2 | Confident | 86.1 | Confident | 53 Ų | 53 | 93.5 Ų | 93.5 | 37% | 0.371 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -34.5 | 175.7 | 59.6 | 0 | 0 | 0 | 0 | 112.5 | E1566 A1567 Q1573 V1574 | E1566-S1570 VanDerWaalsContact O-CB 3.25Å; E1566-S1570 WeakPolarHBondContact O-CB 3.41Å; E1566-S1570 PolarHBondContact O-N 3.23Å; E1566-S1570 PolarHBondContact O-OG 3.47Å; A1567-S1570 WeakPolarHBondContact CA-OG 3.11Å; A1567-S1570 PolarHBondContact O-OG 2.75Å; A1567-S1570 VanDerWaalsContact O-OG 3.12Å; S1570-Q1573 PolarHBondContact O-N 3.02Å; S1570-V1574 WeakPolarHBondContact O-CB 3.27Å; S1570-V1574 VanDerWaalsContact O-CG2 3.27Å; S1570-V1574 WeakPolarHBondContact O-CG2 3.29Å; S1570-V1574 PolarHBondContact O-N 2.74Å |
| 1571 | A | 86.7 | Confident | 86.2 | Confident | 48 Ų | 48 | 94.8 Ų | 94.8 | 40% | 0.397 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -45 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1567 L1568 Q1573 V1574 D1575 | A1567-A1571 VanDerWaalsContact O-CB 3.24Å; A1567-A1571 WeakPolarHBondContact O-CB 3.39Å; A1567-A1571 PolarHBondContact O-N 3.48Å; L1568-A1571 PolarHBondContact O-N 3.35Å; A1571-Q1573 PolarHBondContact O-N 3.12Å; A1571-V1574 WeakPolarHBondContact O-CB 3.44Å; A1571-V1574 PolarHBondContact O-N 2.81Å; A1571-D1575 PolarHBondContact O-N 3.31Å |
| 1572 | Q | 89.6 | Confident | 86 | Confident | 123 Ų | 123 | 97.9 Ų | 97.9 | 58% | 0.575 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -38.8 | 176.2 | -167.4 | 177.3 | 8.8 | 0 | 0 | 112.3 | L1568 T1569 D1575 Q1576 | L1568-Q1572 PolarHBondContact O-N 3.33Å; T1569-Q1572 PolarHBondContact O-N 2.88Å; Q1572-D1575 PolarHBondContact O-N 3.3Å; Q1572-Q1576 WeakPolarHBondContact O-CG 3.45Å; Q1572-Q1576 PolarHBondContact O-N 3.14Å |
| 1573 | Q | 83.4 | Confident | 85.7 | Confident | 109 Ų | 109 | 97.6 Ų | 97.6 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -40.2 | 171.4 | -71.9 | 176.9 | 20.3 | 0 | 0 | 112.1 | T1569 S1570 A1571 D1575 Q1576 L1577 | T1569-Q1573 WeakPolarHBondContact O-CG 3.07Å; T1569-Q1573 PolarHBondContact O-N 3.26Å; S1570-Q1573 PolarHBondContact O-N 3.02Å; A1571-Q1573 PolarHBondContact O-N 3.12Å; Q1573-D1575 VanDerWaalsContact C-N 3.33Å; Q1573-D1575 PolarHBondContact O-N 3.27Å; Q1573-Q1576 PolarHBondContact O-N 3.06Å; Q1573-L1577 WeakPolarHBondContact O-CB 3.47Å; Q1573-L1577 VanDerWaalsContact O-CG 3.28Å; Q1573-L1577 WeakPolarHBondContact O-CG 3.25Å; Q1573-L1577 PolarHBondContact O-N 2.88Å |
| 1574 | V | 87.5 | Confident | 85.6 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.418 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -37.1 | 175.9 | 161.2 | 0 | 0 | 0 | 0 | 111.4 | S1570 A1571 L1577 K1578 | S1570-V1574 WeakPolarHBondContact O-CB 3.27Å; S1570-V1574 VanDerWaalsContact O-CG2 3.27Å; S1570-V1574 WeakPolarHBondContact O-CG2 3.29Å; S1570-V1574 PolarHBondContact O-N 2.74Å; A1571-V1574 WeakPolarHBondContact O-CB 3.44Å; A1571-V1574 PolarHBondContact O-N 2.81Å; V1574-L1577 PolarHBondContact O-N 3.38Å; V1574-K1578 WeakPolarHBondContact O-CG 3.3Å; V1574-K1578 PolarHBondContact O-N 2.93Å |
| 1575 | D | 86.4 | Confident | 85.5 | Confident | 86 Ų | 86 | 97.1 Ų | 97.1 | 46% | 0.46 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -73.3 | -37.7 | 175.6 | -74.2 | -20 | 0 | 0 | 0 | 112.6 | A1571 Q1572 Q1573 L1577 K1578 E1579 | A1571-D1575 PolarHBondContact O-N 3.31Å; Q1572-D1575 PolarHBondContact O-N 3.3Å; Q1573-D1575 VanDerWaalsContact C-N 3.33Å; Q1573-D1575 PolarHBondContact O-N 3.27Å; D1575-L1577 VanDerWaalsContact C-N 3.3Å; D1575-L1577 PolarHBondContact O-N 3.36Å; D1575-K1578 PolarHBondContact O-N 3.36Å; D1575-K1578 WeakPolarHBondContact OD1-CD 3.27Å; D1575-K1578 WeakPolarHBondContact OD1-CE 3.46Å; D1575-K1578 IonicContact OD1-NZ 3.72Å; D1575-K1578 PolarHBondContact OD1-NZ 3.23Å; D1575-E1579 PolarHBondContact O-N 2.83Å |
| 1576 | Q | 83.4 | Confident | 85.4 | Confident | 119 Ų | 119 | 94.3 Ų | 94.3 | 56% | 0.556 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.3 | -40.9 | 168 | -71.6 | 174.5 | 16.5 | 0 | 0 | 111.7 | Q1572 Q1573 E1579 A1580 | Q1572-Q1576 WeakPolarHBondContact O-CG 3.45Å; Q1572-Q1576 PolarHBondContact O-N 3.14Å; Q1573-Q1576 PolarHBondContact O-N 3.06Å; Q1576-E1579 PolarHBondContact O-N 3.14Å; Q1576-A1580 WeakPolarHBondContact O-CB 3.48Å; Q1576-A1580 PolarHBondContact O-N 2.84Å |
| 1577 | L | 84.4 | Confident | 85.3 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 62% | 0.618 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.5 | -36.8 | 175.1 | -74.4 | 167.2 | 0 | 0 | 0 | 112.5 | Q1573 V1574 D1575 L1581 | Q1573-L1577 WeakPolarHBondContact O-CB 3.47Å; Q1573-L1577 VanDerWaalsContact O-CG 3.28Å; Q1573-L1577 WeakPolarHBondContact O-CG 3.25Å; Q1573-L1577 PolarHBondContact O-N 2.88Å; V1574-L1577 PolarHBondContact O-N 3.38Å; D1575-L1577 VanDerWaalsContact C-N 3.3Å; D1575-L1577 PolarHBondContact O-N 3.36Å; L1577-L1581 WeakPolarHBondContact O-CB 3.42Å; L1577-L1581 PolarHBondContact O-N 3.4Å |
| 1578 | K | 86.3 | Confident | 84.9 | Confident | 111 Ų | 111 | 93.7 Ų | 93.7 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 172.3 | -74 | 169.5 | -161.8 | 156.1 | 0 | 111.3 | V1574 D1575 L1581 H1582 | V1574-K1578 WeakPolarHBondContact O-CG 3.3Å; V1574-K1578 PolarHBondContact O-N 2.93Å; D1575-K1578 PolarHBondContact O-N 3.36Å; D1575-K1578 WeakPolarHBondContact OD1-CD 3.27Å; D1575-K1578 WeakPolarHBondContact OD1-CE 3.46Å; D1575-K1578 IonicContact OD1-NZ 3.72Å; D1575-K1578 PolarHBondContact OD1-NZ 3.23Å; K1578-L1581 PolarHBondContact O-N 2.86Å; K1578-H1582 PolarHBondContact O-N 2.84Å; K1578-H1582 PolarHBondContact O-ND1 2.85Å |
| 1579 | E | 84.8 | Confident | 84.9 | Confident | 102 Ų | 102 | 94.9 Ų | 94.9 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -45 | 179 | -154.2 | -156.7 | 141.2 | 0 | 0 | 111.3 | D1575 Q1576 L1581 H1582 R1583 | D1575-E1579 PolarHBondContact O-N 2.83Å; Q1576-E1579 PolarHBondContact O-N 3.14Å; E1579-L1581 VanDerWaalsContact C-N 3.3Å; E1579-L1581 PolarHBondContact O-N 3.37Å; E1579-H1582 PolarHBondContact O-N 2.96Å; E1579-R1583 WeakPolarHBondContact O-CG 3.41Å; E1579-R1583 PolarHBondContact O-N 3.37Å; E1579-R1583 IonicContact OE1-CZ 3.57Å; E1579-R1583 IonicContact OE1-NE 3.35Å; E1579-R1583 PolarHBondContact OE1-NE 2.8Å; E1579-R1583 IonicContact OE1-NH2 3.98Å; E1579-R1583 PolarHBondContact OE1-NH2 3.36Å; E1579-R1583 IonicContact OE2-NH2 3.33Å |
| 1580 | A | 83.5 | Confident | 84.7 | Confident | 44 Ų | 44 | 94.9 Ų | 94.9 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.6 | -42.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q1576 H1582 R1583 L1584 | Q1576-A1580 WeakPolarHBondContact O-CB 3.48Å; Q1576-A1580 PolarHBondContact O-N 2.84Å; A1580-H1582 VanDerWaalsContact C-N 3.34Å; A1580-H1582 PolarHBondContact O-N 3.11Å; A1580-R1583 PolarHBondContact O-N 3.5Å; A1580-L1584 WeakPolarHBondContact O-CB 3.05Å; A1580-L1584 WeakPolarHBondContact O-CG 3.35Å; A1580-L1584 PolarHBondContact O-N 3.43Å |
| 1581 | L | 86.1 | Confident | 84.5 | Confident | 106 Ų | 106 | 95.2 Ų | 95.2 | 56% | 0.555 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.5 | -33.2 | 175.1 | -173.9 | 148.4 | 0 | 0 | 0 | 112.3 | L1577 K1578 E1579 K1585 | L1577-L1581 WeakPolarHBondContact O-CB 3.42Å; L1577-L1581 PolarHBondContact O-N 3.4Å; K1578-L1581 PolarHBondContact O-N 2.86Å; E1579-L1581 VanDerWaalsContact C-N 3.3Å; E1579-L1581 PolarHBondContact O-N 3.37Å; L1581-K1585 WeakPolarHBondContact O-CB 3.26Å; L1581-K1585 PolarHBondContact O-N 2.83Å |
| 1582 | H | 86.2 | Confident | 84.3 | Confident | 132 Ų | 132 | 99 Ų | 99 | 61% | 0.611 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.2 | -41.1 | 173.3 | -80.4 | 47.4 | 0 | 0 | 0 | 112 | K1578 E1579 A1580 K1585 G1586 | K1578-H1582 PolarHBondContact O-N 2.84Å; K1578-H1582 PolarHBondContact O-ND1 2.85Å; E1579-H1582 PolarHBondContact O-N 2.96Å; A1580-H1582 VanDerWaalsContact C-N 3.34Å; A1580-H1582 PolarHBondContact O-N 3.11Å; H1582-K1585 PolarHBondContact O-N 3.05Å; H1582-G1586 PolarHBondContact O-N 3.26Å |
| 1583 | R | 82.7 | Confident | 84.1 | Confident | 97 Ų | 97 | 97.2 Ų | 97.2 | 37% | 0.366 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61 | -53.4 | 173.3 | -66.9 | 179.5 | -172.3 | -170.6 | 5.5 | 110.9 | E1579 A1580 K1585 G1586 E1587 | E1579-R1583 WeakPolarHBondContact O-CG 3.41Å; E1579-R1583 PolarHBondContact O-N 3.37Å; E1579-R1583 IonicContact OE1-CZ 3.57Å; E1579-R1583 IonicContact OE1-NE 3.35Å; E1579-R1583 PolarHBondContact OE1-NE 2.8Å; E1579-R1583 IonicContact OE1-NH2 3.98Å; E1579-R1583 PolarHBondContact OE1-NH2 3.36Å; E1579-R1583 IonicContact OE2-NH2 3.33Å; A1580-R1583 PolarHBondContact O-N 3.5Å; R1583-K1585 VanDerWaalsContact C-N 3.26Å; R1583-K1585 PolarHBondContact O-N 3.24Å; R1583-G1586 WeakPolarHBondContact O-CA 3.47Å; R1583-G1586 PolarHBondContact O-N 2.93Å; R1583-E1587 PolarHBondContact O-N 2.73Å |
| 1584 | L | 84.5 | Confident | 83.8 | Confident | 97 Ų | 97 | 95.6 Ų | 95.6 | 51% | 0.508 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -57.8 | -35.9 | 175.7 | -75.4 | 169.5 | 0 | 0 | 0 | 112.7 | A1580 M1588 | A1580-L1584 WeakPolarHBondContact O-CB 3.05Å; A1580-L1584 WeakPolarHBondContact O-CG 3.35Å; A1580-L1584 PolarHBondContact O-N 3.43Å; L1584-M1588 WeakPolarHBondContact O-CB 3.48Å; L1584-M1588 PolarHBondContact O-N 3.48Å |
| 1585 | K | 84.4 | Confident | 83.4 | Confident | 145 Ų | 145 | 94.4 Ų | 94.4 | 63% | 0.63 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -70.7 | -33.5 | 176.3 | -171.4 | 173.6 | -178.2 | -179.5 | 0 | 112.5 | L1581 H1582 R1583 F1589 | L1581-K1585 WeakPolarHBondContact O-CB 3.26Å; L1581-K1585 PolarHBondContact O-N 2.83Å; H1582-K1585 PolarHBondContact O-N 3.05Å; R1583-K1585 VanDerWaalsContact C-N 3.26Å; R1583-K1585 PolarHBondContact O-N 3.24Å; K1585-F1589 WeakPolarHBondContact O-CB 3.4Å; K1585-F1589 PolarHBondContact O-N 2.86Å |
| 1586 | G | 87 | Confident | 83.2 | Confident | 35 Ų | 35 | 96.9 Ų | 96.9 | 36% | 0.361 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.3 | -43.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | H1582 R1583 F1589 T1590 | H1582-G1586 PolarHBondContact O-N 3.26Å; R1583-G1586 WeakPolarHBondContact O-CA 3.47Å; R1583-G1586 PolarHBondContact O-N 2.93Å; G1586-F1589 PolarHBondContact O-N 3.41Å; G1586-T1590 WeakPolarHBondContact O-CB 3.44Å; G1586-T1590 PolarHBondContact O-N 3.01Å; G1586-T1590 PolarHBondContact O-OG1 3.07Å |
| 1587 | E | 82.5 | Confident | 83 | Confident | 82 Ų | 82 | 98 Ų | 98 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 173.1 | -71.3 | 172.1 | -175 | 0 | 0 | 111.1 | R1583 F1589 T1590 L1591 | R1583-E1587 PolarHBondContact O-N 2.73Å; E1587-F1589 PolarHBondContact O-N 2.95Å; E1587-T1590 CarbonylContact O-C 3.56Å; E1587-T1590 PolarHBondContact O-N 3.39Å; E1587-L1591 WeakPolarHBondContact O-CB 3.42Å; E1587-L1591 WeakPolarHBondContact O-CG 3.05Å; E1587-L1591 PolarHBondContact O-N 3.06Å |
| 1588 | M | 79.7 | Confident | 82.4 | Confident | 100 Ų | 100 | 96.8 Ų | 96.8 | 49% | 0.493 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -35.4 | 176.8 | -170.9 | -89.5 | -167.2 | 0 | 0 | 113 | L1584 K1592 | L1584-M1588 WeakPolarHBondContact O-CB 3.48Å; L1584-M1588 PolarHBondContact O-N 3.48Å; M1588-K1592 HydrophobicContact CE-CD 4.16Å; M1588-K1592 WeakPolarHBondContact O-CB 3.44Å; M1588-K1592 PolarHBondContact O-N 3.1Å; M1588-K1592 HydrophobicContact SD-CD 3.91Å; M1588-K1592 HydrophobicContact SD-CG 4.34Å |
| 1589 | F | 83.3 | Confident | 81.8 | Confident | 144 Ų | 144 | 96.4 Ų | 96.4 | 63% | 0.632 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66 | -46.8 | 171.3 | -173.2 | -89.6 | 0 | 0 | 0 | 111.4 | K1585 G1586 E1587 L1591 K1592 E1593 | K1585-F1589 WeakPolarHBondContact O-CB 3.4Å; K1585-F1589 PolarHBondContact O-N 2.86Å; G1586-F1589 PolarHBondContact O-N 3.41Å; E1587-F1589 PolarHBondContact O-N 2.95Å; F1589-L1591 VanDerWaalsContact C-N 3.34Å; F1589-L1591 PolarHBondContact O-N 3.32Å; F1589-K1592 WeakPolarHBondContact O-CB 3.37Å; F1589-K1592 PolarHBondContact O-N 3.45Å; F1589-K1592 VanDerWaalsContact O-N 3.14Å; F1589-E1593 PolarHBondContact O-N 3Å |
| 1590 | T | 82 | Confident | 81.2 | Confident | 73 Ų | 73 | 94.4 Ų | 94.4 | 45% | 0.448 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 178.3 | -50.5 | 0 | 0 | 0 | 0 | 111.8 | G1586 E1587 E1593 N1594 | G1586-T1590 WeakPolarHBondContact O-CB 3.44Å; G1586-T1590 PolarHBondContact O-N 3.01Å; G1586-T1590 PolarHBondContact O-OG1 3.07Å; E1587-T1590 CarbonylContact O-C 3.56Å; E1587-T1590 PolarHBondContact O-N 3.39Å; T1590-E1593 PolarHBondContact O-N 3.49Å; T1590-N1594 WeakPolarHBondContact O-CB 3.5Å; T1590-N1594 PolarHBondContact O-N 2.94Å; T1590-N1594 PolarHBondContact O-ND2 2.94Å |
| 1591 | L | 79.2 | Confident | 80.5 | Confident | 59 Ų | 59 | 96.6 Ų | 96.6 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 172.6 | -80 | 165.3 | 0 | 0 | 0 | 111.8 | I1230 E1587 F1589 N1594 N1595 | I1230-L1591 HydrophobicContact CD1-CD1 3.78Å; I1230-L1591 HydrophobicContact CG1-CD1 4.46Å; E1587-L1591 WeakPolarHBondContact O-CB 3.42Å; E1587-L1591 WeakPolarHBondContact O-CG 3.05Å; E1587-L1591 PolarHBondContact O-N 3.06Å; F1589-L1591 VanDerWaalsContact C-N 3.34Å; F1589-L1591 PolarHBondContact O-N 3.32Å; L1591-N1594 PolarHBondContact O-N 3.37Å; L1591-N1595 WeakPolarHBondContact O-CB 3.2Å; L1591-N1595 PolarHBondContact O-N 2.93Å |
| 1592 | K | 82.5 | Confident | 79.6 | Confident | 127 Ų | 127 | 93.7 Ų | 93.7 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.8 | -45.6 | 171.9 | -91 | -175.9 | 168.4 | -179.8 | 0 | 112.2 | M1588 F1589 N1595 Q1596 | M1588-K1592 HydrophobicContact CE-CD 4.16Å; M1588-K1592 WeakPolarHBondContact O-CB 3.44Å; M1588-K1592 PolarHBondContact O-N 3.1Å; M1588-K1592 HydrophobicContact SD-CD 3.91Å; M1588-K1592 HydrophobicContact SD-CG 4.34Å; F1589-K1592 WeakPolarHBondContact O-CB 3.37Å; F1589-K1592 PolarHBondContact O-N 3.45Å; F1589-K1592 VanDerWaalsContact O-N 3.14Å; K1592-N1595 PolarHBondContact O-N 3.28Å; K1592-Q1596 WeakPolarHBondContact O-CB 3.28Å; K1592-Q1596 WeakPolarHBondContact O-CG 3.34Å; K1592-Q1596 PolarHBondContact O-N 3.35Å |
| 1593 | E | 85.2 | Confident | 78.6 | Confident | 86 Ų | 86 | 89.8 Ų | 89.8 | 40% | 0.402 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -61.1 | -47.9 | 175.5 | -165.9 | -158.9 | 135.1 | 0 | 0 | 110.8 | F1589 T1590 N1595 Q1596 R1597 | F1589-E1593 PolarHBondContact O-N 3Å; T1590-E1593 PolarHBondContact O-N 3.49Å; E1593-N1595 PolarHBondContact O-N 3.38Å; E1593-Q1596 PolarHBondContact O-N 2.66Å; E1593-R1597 WeakPolarHBondContact O-CG 3.42Å; E1593-R1597 PolarHBondContact O-N 2.83Å; E1593-R1597 IonicContact OE1-CZ 3.88Å; E1593-R1597 IonicContact OE1-NH1 2.93Å; E1593-R1597 PolarHBondContact OE1-NH1 3.45Å |
| 1594 | N | 79.1 | Confident | 77.3 | Confident | 76 Ų | 76 | 90.6 Ų | 90.6 | 41% | 0.406 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.8 | -38.9 | 177.8 | -78.1 | -49 | 0 | 0 | 0 | 112.8 | T1590 L1591 R1597 L1598 | T1590-N1594 WeakPolarHBondContact O-CB 3.5Å; T1590-N1594 PolarHBondContact O-N 2.94Å; T1590-N1594 PolarHBondContact O-ND2 2.94Å; L1591-N1594 PolarHBondContact O-N 3.37Å; N1594-R1597 PolarHBondContact O-N 3.34Å; N1594-L1598 WeakPolarHBondContact O-CB 3.43Å; N1594-L1598 VanDerWaalsContact O-CG 3.29Å; N1594-L1598 WeakPolarHBondContact O-CG 3.32Å; N1594-L1598 PolarHBondContact O-N 3.49Å |
| 1595 | N | 78.8 | Confident | 75.7 | Confident | 43 Ų | 43 | 90.8 Ų | 90.8 | 23% | 0.23 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -72.8 | -32.3 | 177.3 | -148.3 | -36 | 0 | 0 | 0 | 111.1 | R1226 L1591 K1592 E1593 L1598 Q1599 | R1226-N1595 PolarHBondContact NH1-OD1 3.3Å; L1591-N1595 WeakPolarHBondContact O-CB 3.2Å; L1591-N1595 PolarHBondContact O-N 2.93Å; K1592-N1595 PolarHBondContact O-N 3.28Å; E1593-N1595 PolarHBondContact O-N 3.38Å; N1595-L1598 CarbonylContact O-C 3.52Å; N1595-L1598 PolarHBondContact O-N 3.41Å; N1595-Q1599 WeakPolarHBondContact O-CB 3.33Å; N1595-Q1599 VanDerWaalsContact O-CG 3.3Å; N1595-Q1599 WeakPolarHBondContact O-CG 3.27Å; N1595-Q1599 PolarHBondContact O-N 2.8Å |
| 1596 | Q | 81 | Confident | 73.9 | Confident | 138 Ų | 138 | 85.8 Ų | 85.8 | 65% | 0.645 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63.7 | -44.7 | 167.7 | -81.4 | -174.5 | -32.1 | 0 | 0 | 112 | K1592 E1593 L1598 Q1599 S1600 | K1592-Q1596 WeakPolarHBondContact O-CB 3.28Å; K1592-Q1596 WeakPolarHBondContact O-CG 3.34Å; K1592-Q1596 PolarHBondContact O-N 3.35Å; E1593-Q1596 PolarHBondContact O-N 2.66Å; Q1596-L1598 VanDerWaalsContact C-N 3.33Å; Q1596-L1598 PolarHBondContact O-N 2.73Å; Q1596-Q1599 PolarHBondContact O-N 3.33Å; Q1596-Q1599 VanDerWaalsContact O-N 3.1Å; Q1596-S1600 PolarHBondContact O-N 3.43Å; Q1596-S1600 PolarHBondContact O-OG 2.92Å |
| 1597 | R | 79.3 | Confident | 71.6 | Confident | 144 Ų | 144 | 91.5 Ų | 91.5 | 54% | 0.543 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64 | -36.9 | 174.6 | -67.2 | 170.7 | 85.6 | 166 | 2.1 | 111.7 | E1593 N1594 S1600 I1601 | E1593-R1597 WeakPolarHBondContact O-CG 3.42Å; E1593-R1597 PolarHBondContact O-N 2.83Å; E1593-R1597 IonicContact OE1-CZ 3.88Å; E1593-R1597 IonicContact OE1-NH1 2.93Å; E1593-R1597 PolarHBondContact OE1-NH1 3.45Å; N1594-R1597 PolarHBondContact O-N 3.34Å; R1597-S1600 PolarHBondContact O-OG 3.26Å; R1597-S1600 VanDerWaalsContact O-OG 3.1Å; R1597-I1601 WeakPolarHBondContact O-CB 3.42Å; R1597-I1601 WeakPolarHBondContact O-CD1 3.22Å; R1597-I1601 WeakPolarHBondContact O-CG1 3.45Å; R1597-I1601 PolarHBondContact O-N 3.01Å |
| 1598 | L | 71.4 | Confident | 69.5 | Low | 92 Ų | 92 | 92.3 Ų | 92.3 | 48% | 0.482 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.5 | -24.9 | 171.9 | -73.2 | 168.5 | 0 | 0 | 0 | 113.1 | R1226 N1594 N1595 Q1596 V1602 | R1226-L1598 PolarHBondContact NH2-O 2.95Å; N1594-L1598 WeakPolarHBondContact O-CB 3.43Å; N1594-L1598 VanDerWaalsContact O-CG 3.29Å; N1594-L1598 WeakPolarHBondContact O-CG 3.32Å; N1594-L1598 PolarHBondContact O-N 3.49Å; N1595-L1598 CarbonylContact O-C 3.52Å; N1595-L1598 PolarHBondContact O-N 3.41Å; Q1596-L1598 VanDerWaalsContact C-N 3.33Å; Q1596-L1598 PolarHBondContact O-N 2.73Å; L1598-V1602 VanDerWaalsContact O-CB 3.32Å; L1598-V1602 WeakPolarHBondContact O-CB 3.01Å; L1598-V1602 VanDerWaalsContact O-CG2 3.25Å; L1598-V1602 WeakPolarHBondContact O-CG2 3.41Å; L1598-V1602 PolarHBondContact O-N 3.29Å |
| 1599 | Q | 73.9 | Confident | 67.2 | Low | 103 Ų | 103 | 92.7 Ų | 92.7 | 48% | 0.481 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.9 | -47.5 | 171.2 | -80.1 | -172.1 | 15.4 | 0 | 0 | 110 | N1595 Q1596 I1601 V1602 T1603 | N1595-Q1599 WeakPolarHBondContact O-CB 3.33Å; N1595-Q1599 VanDerWaalsContact O-CG 3.3Å; N1595-Q1599 WeakPolarHBondContact O-CG 3.27Å; N1595-Q1599 PolarHBondContact O-N 2.8Å; Q1596-Q1599 PolarHBondContact O-N 3.33Å; Q1596-Q1599 VanDerWaalsContact O-N 3.1Å; Q1599-I1601 PolarHBondContact O-N 3.33Å; Q1599-V1602 CarbonylContact O-C 3.54Å; Q1599-V1602 PolarHBondContact O-N 3.14Å; Q1599-V1602 VanDerWaalsContact O-N 3.12Å; Q1599-T1603 PolarHBondContact O-N 2.66Å; Q1599-T1603 PolarHBondContact O-OG1 3.37Å |
| 1600 | S | 72.3 | Confident | 64.7 | Low | 60 Ų | 60 | 90.2 Ų | 90.2 | 42% | 0.42 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 177.4 | 64.2 | 0 | 0 | 0 | 0 | 112.7 | Q1596 R1597 V1602 T1603 N1604 | Q1596-S1600 PolarHBondContact O-N 3.43Å; Q1596-S1600 PolarHBondContact O-OG 2.92Å; R1597-S1600 PolarHBondContact O-OG 3.26Å; R1597-S1600 VanDerWaalsContact O-OG 3.1Å; S1600-V1602 PolarHBondContact O-N 3.47Å; S1600-T1603 WeakPolarHBondContact CA-OG1 3.47Å; S1600-T1603 PolarHBondContact O-OG1 2.75Å; S1600-N1604 VanDerWaalsContact O-CB 3.27Å; S1600-N1604 WeakPolarHBondContact O-CB 3.28Å; S1600-N1604 PolarHBondContact O-N 2.78Å; S1600-N1604 PolarHBondContact O-OD1 3.22Å |
| 1601 | I | 69.3 | Low | 62.5 | Low | 90 Ų | 90 | 95.2 Ų | 95.2 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 170.4 | -72.4 | 165.8 | 0 | 0 | 0 | 110.7 | R1597 Q1599 N1604 I1605 | R1597-I1601 WeakPolarHBondContact O-CB 3.42Å; R1597-I1601 WeakPolarHBondContact O-CD1 3.22Å; R1597-I1601 WeakPolarHBondContact O-CG1 3.45Å; R1597-I1601 PolarHBondContact O-N 3.01Å; Q1599-I1601 PolarHBondContact O-N 3.33Å; I1601-N1604 PolarHBondContact O-N 2.93Å; I1601-I1605 HydrophobicContact CG2-CD1 3.76Å; I1601-I1605 VanDerWaalsContact O-CG1 3.29Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.26Å; I1601-I1605 PolarHBondContact O-N 2.78Å |
| 1602 | V | 66.9 | Low | 60.3 | Low | 44 Ų | 44 | 98.3 Ų | 98.3 | 27% | 0.267 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -79.2 | -24.8 | -175.3 | 176 | 0 | 0 | 0 | 0 | 113 | R1226 L1598 Q1599 S1600 S1606 | R1226-V1602 VanDerWaalsContact NH2-CG2 3.35Å; L1598-V1602 VanDerWaalsContact O-CB 3.32Å; L1598-V1602 WeakPolarHBondContact O-CB 3.01Å; L1598-V1602 VanDerWaalsContact O-CG2 3.25Å; L1598-V1602 WeakPolarHBondContact O-CG2 3.41Å; L1598-V1602 PolarHBondContact O-N 3.29Å; Q1599-V1602 CarbonylContact O-C 3.54Å; Q1599-V1602 PolarHBondContact O-N 3.14Å; Q1599-V1602 VanDerWaalsContact O-N 3.12Å; S1600-V1602 PolarHBondContact O-N 3.47Å; V1602-S1606 WeakPolarHBondContact O-CB 3.34Å; V1602-S1606 PolarHBondContact O-N 3.36Å; V1602-S1606 PolarHBondContact O-OG 3.17Å |
| 1603 | T | 65.3 | Low | 58 | Low | 50 Ų | 50 | 97.8 Ų | 97.8 | 31% | 0.307 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67 | -45.7 | 165.8 | 50.5 | 0 | 0 | 0 | 0 | 110.3 | Q1599 S1600 I1605 S1606 H1607 | Q1599-T1603 PolarHBondContact O-N 2.66Å; Q1599-T1603 PolarHBondContact O-OG1 3.37Å; S1600-T1603 WeakPolarHBondContact CA-OG1 3.47Å; S1600-T1603 PolarHBondContact O-OG1 2.75Å; T1603-I1605 PolarHBondContact O-N 2.88Å; T1603-S1606 PolarHBondContact O-N 3.43Å; T1603-H1607 PolarHBondContact O-CD2 3.17Å; T1603-H1607 PolarHBondContact O-N 3.11Å |
| 1604 | N | 56.2 | Low | 55.5 | Low | 115 Ų | 115 | 99.2 Ų | 99.2 | 62% | 0.615 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -65.3 | -22.9 | 179.2 | -65.4 | 5.9 | 0 | 0 | 0 | 112.8 | S1600 I1601 S1608 | S1600-N1604 VanDerWaalsContact O-CB 3.27Å; S1600-N1604 WeakPolarHBondContact O-CB 3.28Å; S1600-N1604 PolarHBondContact O-N 2.78Å; S1600-N1604 PolarHBondContact O-OD1 3.22Å; I1601-N1604 PolarHBondContact O-N 2.93Å; N1604-S1608 PolarHBondContact O-OG 3.43Å |
| 1605 | I | 49.9 | Very low | 53 | Low | 101 Ų | 101 | 101 Ų | 101 | 52% | 0.518 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -84.9 | -37.2 | 168.4 | -66 | 165.8 | 0 | 0 | 0 | 111.6 | I1601 T1603 H1607 S1608 | I1601-I1605 HydrophobicContact CG2-CD1 3.76Å; I1601-I1605 VanDerWaalsContact O-CG1 3.29Å; I1601-I1605 WeakPolarHBondContact O-CG1 3.26Å; I1601-I1605 PolarHBondContact O-N 2.78Å; T1603-I1605 PolarHBondContact O-N 2.88Å; I1605-H1607 VanDerWaalsContact C-N 3.31Å; I1605-H1607 PolarHBondContact O-N 3.06Å; I1605-S1608 PolarHBondContact O-N 3.37Å |
| 1606 | S | 46.4 | Very low | 50.8 | Low | 40 Ų | 40 | 104.3 Ų | 104.3 | 28% | 0.28 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -67.5 | -27.5 | -178.7 | -59.6 | 0 | 0 | 0 | 0 | 113.4 | R1224 V1602 T1603 | R1224-S1606 PolarHBondContact NH1-OG 2.85Å; V1602-S1606 WeakPolarHBondContact O-CB 3.34Å; V1602-S1606 PolarHBondContact O-N 3.36Å; V1602-S1606 PolarHBondContact O-OG 3.17Å; T1603-S1606 PolarHBondContact O-N 3.43Å |
| 1607 | H | 39.4 | Very low | 48.4 | Very low | 154 Ų | 154 | 106 Ų | 106 | 71% | 0.713 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -1.2 | -178.3 | -68.4 | -61.5 | 0 | 0 | 0 | 114.6 | T1603 I1605 | T1603-H1607 PolarHBondContact O-CD2 3.17Å; T1603-H1607 PolarHBondContact O-N 3.11Å; I1605-H1607 VanDerWaalsContact C-N 3.31Å; I1605-H1607 PolarHBondContact O-N 3.06Å |
| 1608 | S | 38.2 | Very low | 45.8 | Very low | 99 Ų | 99 | 103.1 Ų | 103.1 | 69% | 0.692 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -106.9 | 0.7 | -178 | -60.3 | 0 | 0 | 0 | 0 | 114.6 | N1604 I1605 | N1604-S1608 PolarHBondContact O-OG 3.43Å; I1605-S1608 PolarHBondContact O-N 3.37Å |
| 1609 | C | 31.9 | Very low | 43.8 | Very low | 109 Ų | 109 | 104.5 Ų | 104.5 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | trans | -133.8 | 73.4 | -176.2 | -67.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1610 | S | 30.6 | Very low | 41.7 | Very low | 91 Ų | 91 | 105.7 Ų | 105.7 | 64% | 0.636 | 62% | 0.622 | S | S | * | * | trans | -145.7 | 21.2 | -178.2 | -60.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1611 | H | 35.1 | Very low | 39.7 | Very low | 178 Ų | 178 | 111 Ų | 111 | 82% | 0.824 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -139.6 | 161.3 | 172.8 | -69.9 | -72.2 | 0 | 0 | 0 | 111.9 | ||
| 1612 | S | 33.6 | Very low | 37.7 | Very low | 125 Ų | 125 | 112.3 Ų | 112.3 | 87% | 0.874 | 66% | 0.656 | S | S | * | * | trans | 62.1 | 102.4 | -177.4 | 28.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1613 | S | 34.6 | Very low | 35.8 | Very low | 116 Ų | 116 | 115.3 Ų | 115.3 | 81% | 0.811 | 68% | 0.679 | S | S | * | * | trans | -76.5 | 170.4 | 162.4 | 49.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1614 | L | 31.7 | Very low | 34.1 | Very low | 115 Ų | 115 | 118.8 Ų | 118.8 | 60% | 0.602 | 71% | 0.705 | S | S | * | * | trans | -47.5 | 154 | 178.4 | -54.9 | 172.3 | 0 | 0 | 0 | 114.2 | ||||
| 1615 | P | 27.9 | Very low | 32.9 | Very low | 115 Ų | 115 | 117.1 Ų | 117.1 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | -124.5 | 163.1 | 95.9 | 2.6 | 18.1 | 0 | 0 | 0 | 113.9 | |||||
| 1616 | P | 32.8 | Very low | 32 | Very low | 112 Ų | 112 | 122.6 Ų | 122.6 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | -77.1 | 155.2 | 162.2 | 35.1 | -34.4 | 0 | 0 | 0 | 110.9 | ||||
| 1617 | L | 29 | Very low | 31.3 | Very low | 172 Ų | 172 | 126.1 Ų | 126.1 | 90% | 0.901 | 76% | 0.76 | S | S | * | * | trans | -174.2 | 165.7 | 145.4 | -103.9 | 161.6 | 0 | 0 | 0 | 111.4 | ||||
| 1618 | S | 26.1 | Very low | 30.8 | Very low | 84 Ų | 84 | 123.4 Ų | 123.4 | 59% | 0.587 | 76% | 0.758 | S | S | * | * | trans | -58.9 | 140.6 | -175.4 | 49.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 1619 | D | 28.2 | Very low | 30.5 | Very low | 121 Ų | 121 | 124.5 Ų | 124.5 | 65% | 0.647 | 76% | 0.76 | S | S | * | * | 52.1 | 158.8 | 127.4 | -53.9 | -56 | 0 | 0 | 0 | 123.6 | L1088 | L1088-D1619 HydrophobicContact CD1-CB 3.97Š| |||
| 1620 | D | 31 | Very low | 30.5 | Very low | 129 Ų | 129 | 125.9 Ų | 125.9 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | trans | 73.1 | 123.6 | 166.4 | -70.9 | -37.7 | 0 | 0 | 0 | 121.5 | L1088 | L1088-D1620 WeakPolarHBondContact CD1-OD1 3.49Š| ||
| 1621 | E | 30.2 | Very low | 30.6 | Very low | 170 Ų | 170 | 125.2 Ų | 125.2 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 51.2 | 99.9 | 135.9 | -67.2 | -76.8 | 78.1 | 0 | 0 | 120.9 | ||||
| 1622 | C | 27.8 | Very low | 30.4 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -154.1 | 107.8 | 131.8 | -155.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1623 | S | 25.5 | Very low | 30.3 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -111.3 | 135.7 | 157.9 | -73.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1624 | S | 29.7 | Very low | 30.2 | Very low | 123 Ų | 123 | 122.2 Ų | 122.2 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | 68.7 | 138.5 | -177.5 | 83.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 1625 | G | 32 | Very low | 30.4 | Very low | 79 Ų | 79 | 122.4 Ų | 122.4 | 81% | 0.814 | 77% | 0.772 | S | S | * | * | trans | 160.9 | 74.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1626 | K | 30.9 | Very low | 30.7 | Very low | 217 Ų | 217 | 122.2 Ų | 122.2 | 94% | 0.943 | 77% | 0.774 | S | S | * | * | trans | -83 | 112.3 | 175.5 | -64.2 | 174.1 | -175.5 | 170.2 | 0 | 110.1 | ||||
| 1627 | S | 30.4 | Very low | 30.8 | Very low | 114 Ų | 114 | 128.6 Ų | 128.6 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -160.7 | 156.3 | 146.4 | -157.2 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1628 | S | 29.2 | Very low | 31 | Very low | 96 Ų | 96 | 125.6 Ų | 125.6 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | -65.4 | 150.8 | 169.9 | 50.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1629 | T | 32.4 | Very low | 31.8 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | -160.6 | 134 | 80.7 | 22.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1630 | T | 31.2 | Very low | 32.6 | Very low | 139 Ų | 139 | 130.3 Ų | 130.3 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | 31.8 | 106.4 | 146.6 | 55 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1631 | G | 33.4 | Very low | 33.9 | Very low | 77 Ų | 77 | 130 Ų | 130 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | trans | -164.3 | 70.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1632 | T | 31 | Very low | 35.7 | Very low | 137 Ų | 137 | 125.8 Ų | 125.8 | 84% | 0.84 | 77% | 0.773 | S | S | * | * | trans | -55.2 | 138.4 | 174.8 | -13.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1633 | S | 30.8 | Very low | 38.2 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | -165.4 | 150.1 | 53.6 | -64 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1634 | T | 32.7 | Very low | 40.9 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 65.2 | 122.6 | 143.7 | 49.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1635 | S | 36.4 | Very low | 43.6 | Very low | 119 Ų | 119 | 117 Ų | 117 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | trans | 87.7 | 55.4 | 136.7 | -58.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1636 | S | 33.8 | Very low | 46.3 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 77% | 0.769 | 67% | 0.674 | S | S | * | * | trans | -75.4 | 143.9 | 150.7 | 57.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1637 | R | 34.6 | Very low | 49.1 | Very low | 246 Ų | 246 | 109 Ų | 109 | 93% | 0.928 | 63% | 0.629 | S | S | * | * | trans | -174.6 | 139.5 | 149.6 | -99.9 | 146.2 | -165.2 | -156 | 2.5 | 112.5 | ||||
| 1638 | S | 34.6 | Very low | 51.9 | Low | 109 Ų | 109 | 103.6 Ų | 103.6 | 76% | 0.762 | 59% | 0.591 | S | S | * | * | trans | 72.6 | 36.9 | 167.6 | 92.1 | 0 | 0 | 0 | 0 | 121.9 | Q1640 | S1638-Q1640 PolarHBondContact O-N 2.93Š| ||
| 1639 | L | 41.3 | Very low | 54.9 | Low | 175 Ų | 175 | 99 Ų | 99 | 92% | 0.916 | 56% | 0.559 | S | S | * | * | trans | -79.6 | 89.6 | 146 | -81.9 | 177.7 | 0 | 0 | 0 | 109 | E1641 | L1639-E1641 PolarHBondContact O-N 2.73Š| ||
| 1640 | Q | 45.6 | Very low | 57.5 | Low | 130 Ų | 130 | 93.9 Ų | 93.9 | 61% | 0.607 | 53% | 0.529 | S | S | * | . | trans | -76.2 | 102.5 | 172.6 | -73.8 | -174.3 | -70.8 | 0 | 0 | 110.2 | S1638 | S1638-Q1640 PolarHBondContact O-N 2.93Š| ||
| 1641 | E | 58.6 | Low | 59.5 | Low | 122 Ų | 122 | 88.1 Ų | 88.1 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | trans | 27.7 | 98.7 | 150.9 | -78.7 | -179.2 | 97 | 0 | 0 | 116.9 | L1639 S1675 G1676 Y1733 | L1639-E1641 PolarHBondContact O-N 2.73Å; E1641-S1675 VanDerWaalsContact O-CA 3.26Å; E1641-S1675 WeakPolarHBondContact O-CA 3.45Å; E1641-S1675 WeakPolarHBondContact O-CB 3.28Å; E1641-G1676 PolarHBondContact O-N 3.36Å; E1641-Y1733 HydrophobicContact CB-CE1 4.21Å; E1641-Y1733 HydrophobicContact CB-CE2 4.26Å; E1641-Y1733 WeakPolarHBondContact CB-OH 3.4Å; E1641-Y1733 VanDerWaalsContact CD-OH 3.3Å; E1641-Y1733 WeakPolarHBondContact CG-OH 3.4Å; E1641-Y1733 WeakPolarHBondContact OE1-CE1 3.43Å; E1641-Y1733 PolarHBondContact OE1-OH 3.03Å | ||
| 1642 | C | 68.4 | Low | 60.9 | Low | 81 Ų | 81 | 89.8 Ų | 89.8 | 55% | 0.547 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.3 | 164.5 | -173.1 | 0 | 0 | 0 | 0 | 109.8 | I1674 | C1642-I1674 CarbonylContact C-O 3.53Å; C1642-I1674 WeakPolarHBondContact CA-O 3.47Å; C1642-I1674 PolarHBondContact SG-O 2.84Å |
| 1643 | M | 80.2 | Confident | 61.4 | Low | 42 Ų | 42 | 84.7 Ų | 84.7 | 21% | 0.207 | 45% | 0.453 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 141 | 178.1 | -80.6 | -176 | 170 | 0 | 0 | 111.3 | H1673 I1674 Y1733 | M1643-H1673 WeakPolarHBondContact O-CA 3.27Å; M1643-I1674 PolarHBondContact N-O 2.96Å; M1643-I1674 PolarHBondContact O-N 3.44Å; M1643-Y1733 HydrophobicContact CB-CE2 4.17Å; M1643-Y1733 HydrophobicContact CG-CE2 3.79Å; M1643-Y1733 HydrophobicContact SD-CE2 3.97Å |
| 1644 | R | 82.6 | Confident | 62 | Low | 121 Ų | 121 | 83.1 Ų | 83.1 | 46% | 0.457 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 132.1 | 169.7 | -175.5 | 170.3 | -176.5 | -147.6 | -2 | 109.4 | C1671 H1673 | R1644-C1671 HydrophobicContact CG-CB 4.29Å; R1644-C1671 PolarHBondContact NE-SG 2.94Å; R1644-C1671 PolarHBondContact NH2-SG 3.28Å; R1644-H1673 WeakPolarHBondContact CB-NE2 3.42Å; R1644-H1673 WeakPolarHBondContact CD-NE2 3.5Å; R1644-H1673 VanDerWaalsContact CG-NE2 3.3Å; R1644-H1673 WeakPolarHBondContact CG-NE2 3.23Å |
| 1645 | I | 85.8 | Confident | 61.8 | Low | 1 Ų | 1 | 82 Ų | 82 | 1% | 0.005 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.6 | -168.7 | -52.3 | 170.9 | 0 | 0 | 0 | 108.5 | C1671 C1672 I1674 V1736 V1744 | I1645-C1671 CarbonylContact O-C 3.58Å; I1645-C1671 WeakPolarHBondContact O-CA 3.41Å; I1645-C1671 WeakPolarHBondContact O-CB 3.45Å; I1645-C1672 PolarHBondContact N-O 3.48Å; I1645-C1672 PolarHBondContact O-N 3.42Å; I1645-I1674 HydrophobicContact CD1-CB 3.55Å; I1645-I1674 HydrophobicContact CD1-CD1 3.5Å; I1645-I1674 VanDerWaalsContact CD1-CD1 3.5Å; I1645-I1674 HydrophobicContact CD1-CG1 3.56Å; I1645-I1674 HydrophobicContact CD1-CG2 4.46Å; I1645-V1736 HydrophobicContact CB-CG1 4.41Å; I1645-V1736 HydrophobicContact CD1-CB 3.92Å; I1645-V1736 HydrophobicContact CD1-CG1 3.42Å; I1645-V1736 VanDerWaalsContact CD1-CG1 3.42Å; I1645-V1736 HydrophobicContact CD1-CG2 3.88Å; I1645-V1736 HydrophobicContact CG1-CG1 3.51Å; I1645-V1736 HydrophobicContact CG2-CG1 4.06Å; I1645-V1744 HydrophobicContact CG2-CG2 3.78Å |
| 1646 | R | 87.6 | Confident | 61.4 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 139.1 | 174.5 | -66.4 | -174.4 | -66 | -159.4 | -0.7 | 109.3 | F1668 R1742 T1743 V1744 | R1646-F1668 HydrophobicContact CB-CD1 4.11Å; R1646-F1668 HydrophobicContact CB-CE1 4.22Å; R1646-R1742 PolarHBondContact N-O 2.79Å; R1646-T1743 HydrophobicContact CB-CG2 4.39Å; R1646-T1743 CarbonylContact O-C 3.59Å; R1646-T1743 WeakPolarHBondContact O-CA 3.49Å; R1646-V1744 PolarHBondContact O-N 2.95Å |
| 1647 | V | 89.8 | Confident | 60.9 | Low | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 129.6 | 170.5 | -170.1 | 0 | 0 | 0 | 0 | 107.4 | I1669 G1670 C1672 V1687 V1690 V1744 I1746 | V1647-I1669 HydrophobicContact CB-CD1 4.47Å; V1647-I1669 HydrophobicContact CB-CG1 4.1Å; V1647-I1669 HydrophobicContact CG1-CD1 3.86Å; V1647-I1669 HydrophobicContact CG1-CG1 3.95Å; V1647-I1669 VanDerWaalsContact O-CG1 3.3Å; V1647-I1669 WeakPolarHBondContact O-CG1 3.35Å; V1647-I1669 PolarHBondContact O-N 2.81Å; V1647-G1670 PolarHBondContact N-O 2.88Å; V1647-G1670 PolarHBondContact O-N 2.9Å; V1647-C1672 HydrophobicContact CG2-CB 4.27Å; V1647-V1687 HydrophobicContact CG1-CG1 4.27Å; V1647-V1690 HydrophobicContact CB-CG1 4.06Å; V1647-V1690 HydrophobicContact CG1-CG1 4.44Å; V1647-V1690 HydrophobicContact CG2-CB 4.48Å; V1647-V1690 HydrophobicContact CG2-CG1 4.28Å; V1647-V1690 HydrophobicContact CG2-CG2 4.46Å; V1647-V1744 WeakPolarHBondContact CA-O 3.12Å; V1647-I1746 HydrophobicContact CG1-CD1 3.77Å; V1647-I1746 HydrophobicContact CG1-CG1 4.04Å |
| 1648 | A | 90.6 | Very high | 60.5 | Low | 0 Ų | 0 | 76.6 Ų | 76.6 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 166.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I1667 F1668 T1743 V1744 I1746 | A1648-I1667 CarbonylContact C-O 3.59Å; A1648-I1667 WeakPolarHBondContact CA-O 3.43Å; A1648-I1667 WeakPolarHBondContact CB-O 3.26Å; A1648-F1668 HydrophobicContact CB-CD1 3.9Å; A1648-F1668 HydrophobicContact CB-CE1 4.25Å; A1648-F1668 HydrophobicContact CB-CG 4.42Å; A1648-T1743 HydrophobicContact CB-CG2 4.19Å; A1648-V1744 PolarHBondContact N-O 2.84Å; A1648-I1746 WeakPolarHBondContact O-CB 3.28Å; A1648-I1746 PolarHBondContact O-N 2.97Å |
| 1649 | V | 90.8 | Very high | 60.1 | Low | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.5 | 166.9 | 178.8 | 0 | 0 | 0 | 0 | 107.8 | I1667 I1669 F1691 I1746 L1748 F1761 | V1649-I1667 PolarHBondContact N-O 3.37Å; V1649-I1667 PolarHBondContact O-N 2.92Å; V1649-I1669 HydrophobicContact CG2-CD1 4.11Å; V1649-I1669 HydrophobicContact CG2-CG2 3.75Å; V1649-F1691 HydrophobicContact CG2-CD2 4.18Å; V1649-F1691 HydrophobicContact CG2-CE2 4.05Å; V1649-I1746 CarbonylContact C-O 3.55Å; V1649-I1746 WeakPolarHBondContact CA-O 3.41Å; V1649-I1746 HydrophobicContact CG2-CB 4.21Å; V1649-L1748 HydrophobicContact CG1-CD1 3.99Å; V1649-L1748 HydrophobicContact CG1-CG 3.98Å; V1649-F1761 HydrophobicContact CB-CE1 3.87Å; V1649-F1761 HydrophobicContact CB-CZ 3.83Å; V1649-F1761 HydrophobicContact CG1-CD1 4.08Å; V1649-F1761 HydrophobicContact CG1-CE1 3.57Å; V1649-F1761 HydrophobicContact CG1-CZ 3.88Å; V1649-F1761 HydrophobicContact CG2-CE1 4.31Å; V1649-F1761 HydrophobicContact CG2-CE2 4.32Å; V1649-F1761 HydrophobicContact CG2-CZ 3.78Å |
| 1650 | A | 86.6 | Confident | 59.5 | Low | 14 Ų | 14 | 77.3 Ų | 77.3 | 12% | 0.116 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 130.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V1745 I1746 R1747 | A1650-V1745 HydrophobicContact CB-CG1 3.63Å; A1650-I1746 PolarHBondContact N-O 2.94Å; A1650-R1747 HydrophobicContact CB-CG 4.2Å |
| 1651 | V | 75 | Confident | 58.5 | Low | 18 Ų | 18 | 77.7 Ų | 77.7 | 11% | 0.109 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 137.8 | 167.1 | -176.9 | 0 | 0 | 0 | 0 | 107.4 | A1653 A1665 I1667 F1761 E1762 | V1651-A1653 PolarHBondContact O-N 2.99Å; V1651-A1665 WeakPolarHBondContact CB-O 3.41Å; V1651-A1665 PolarHBondContact N-O 2.88Å; V1651-A1665 WeakPolarHBondContact O-CB 3.5Å; V1651-A1665 PolarHBondContact O-N 3.38Å; V1651-I1667 HydrophobicContact CG2-CD1 3.68Å; V1651-I1667 HydrophobicContact CG2-CG1 3.93Å; V1651-F1761 HydrophobicContact CG2-CD1 4.3Å; V1651-F1761 HydrophobicContact CG2-CE1 4.1Å; V1651-E1762 HydrophobicContact CG1-CG 3.79Å |
| 1652 | E | 61.4 | Low | 57 | Low | 112 Ų | 112 | 77.6 Ų | 77.6 | 52% | 0.523 | 43% | 0.43 | S | S | . | . | trans | -61.7 | 122.5 | 175.7 | -72 | 174 | -144.2 | 0 | 0 | 109.3 | K1654 | E1652-K1654 PolarHBondContact O-N 3.44Š| ||
| 1653 | A | 42.5 | Very low | 55.5 | Low | 31 Ų | 31 | 83.4 Ų | 83.4 | 26% | 0.256 | 44% | 0.44 | S | S | . | . | trans | -66.4 | 119.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1651 C1655 A1665 R1814 | V1651-A1653 PolarHBondContact O-N 2.99Å; A1653-C1655 VanDerWaalsContact C-N 3.28Å; A1653-C1655 PolarHBondContact O-N 2.86Å; A1653-A1665 HydrophobicContact CB-CB 3.84Å; A1653-R1814 PolarHBondContact O-NH1 2.93Å | ||
| 1654 | K | 44 | Very low | 54.1 | Low | 57 Ų | 57 | 84.4 Ų | 84.4 | 25% | 0.248 | 45% | 0.445 | C | S | . | . | trans | -76.7 | 84.3 | 165 | -61.2 | -148.2 | -178.8 | -172.1 | 0 | 108.4 | E1652 E1762 D1795 S1799 | E1652-K1654 PolarHBondContact O-N 3.44Å; K1654-E1762 WeakPolarHBondContact CE-OE1 3.43Å; K1654-E1762 IonicContact NZ-OE1 3.87Å; K1654-D1795 PolarHBondContact NZ-O 3.43Å; K1654-D1795 IonicContact NZ-OD1 3.15Å; K1654-D1795 PolarHBondContact NZ-OD1 3.15Å; K1654-S1799 PolarHBondContact NZ-OG 3.44Å | ||
| 1655 | C | 27.1 | Very low | 53.4 | Low | 105 Ų | 105 | 80.7 Ų | 80.7 | 71% | 0.709 | 44% | 0.44 | S | S | * | . | trans | -133.3 | 146.9 | 174.6 | -166.9 | 0 | 0 | 0 | 0 | 109.1 | A1653 | A1653-C1655 VanDerWaalsContact C-N 3.28Å; A1653-C1655 PolarHBondContact O-N 2.86Å | ||
| 1656 | G | 28.4 | Very low | 53.1 | Low | 67 Ų | 67 | 85.4 Ų | 85.4 | 69% | 0.691 | 46% | 0.458 | S | S | * | . | trans | -76.6 | -170.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1657 | A | 24.2 | Very low | 53 | Low | 84 Ų | 84 | 80 Ų | 80 | 69% | 0.694 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -59.2 | 161.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1658 | F | 24.8 | Very low | 52.9 | Low | 211 Ų | 211 | 82.5 Ų | 82.5 | 93% | 0.925 | 45% | 0.45 | S | S | * | . | trans | 71 | 66.1 | 173.5 | -47.5 | -76.5 | 0 | 0 | 0 | 117.7 | ||||
| 1659 | S | 26 | Very low | 52.9 | Low | 104 Ų | 104 | 82.9 Ų | 82.9 | 73% | 0.727 | 45% | 0.452 | S | S | * | . | -162.7 | 152.8 | 127.6 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | E1661 | S1659-E1661 PolarHBondContact O-N 3.29Š| |||
| 1660 | K | 28.5 | Very low | 52.8 | Low | 194 Ų | 194 | 83.7 Ų | 83.7 | 84% | 0.843 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -85.7 | 19.1 | -177.5 | -141.9 | 175.5 | -174.2 | 179.5 | 0 | 113.2 | ||
| 1661 | E | 24.7 | Very low | 52.9 | Low | 138 Ų | 138 | 85 Ų | 85 | 65% | 0.645 | 47% | 0.468 | S | S | * | . | trans | -135.1 | 76.3 | -169.1 | -163.9 | 172.2 | -168.8 | 0 | 0 | 111 | S1659 R1663 | S1659-E1661 PolarHBondContact O-N 3.29Å; E1661-R1663 PolarHBondContact O-N 3.46Å | ||
| 1662 | S | 28.9 | Very low | 53.5 | Low | 120 Ų | 120 | 84.4 Ų | 84.4 | 84% | 0.839 | 46% | 0.464 | S | S | * | . | trans | -73.8 | 85 | -174.6 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | E1664 | S1662-E1664 PolarHBondContact O-N 3.13Š| ||
| 1663 | R | 35.8 | Very low | 54.8 | Low | 203 Ų | 203 | 81.9 Ų | 81.9 | 77% | 0.766 | 45% | 0.452 | S | S | * | . | trans | -66.5 | 112.1 | 168.5 | -69.3 | -175.5 | 177 | 177.4 | 1.7 | 110.3 | E1661 | E1661-R1663 PolarHBondContact O-N 3.46Š| ||
| 1664 | E | 51.8 | Low | 56.9 | Low | 64 Ų | 64 | 80.4 Ų | 80.4 | 30% | 0.299 | 44% | 0.44 | S | S | . | . | trans | -53.2 | 138.6 | 172.1 | -59.6 | -175.8 | 164 | 0 | 0 | 110.9 | S1662 Y1666 R1747 | S1662-E1664 PolarHBondContact O-N 3.13Å; E1664-Y1666 HydrophobicContact CB-CD1 4.34Å; E1664-Y1666 HydrophobicContact CB-CE1 3.63Å; E1664-Y1666 PolarHBondContact O-N 2.73Å; E1664-Y1666 WeakPolarHBondContact OE2-CE1 3.08Å; E1664-R1747 IonicContact OE1-CZ 3.37Å; E1664-R1747 IonicContact OE1-NH1 3.15Å; E1664-R1747 PolarHBondContact OE1-NH1 2.79Å; E1664-R1747 VanDerWaalsContact OE1-NH1 3.15Å; E1664-R1747 IonicContact OE1-NH2 2.69Å; E1664-R1747 PolarHBondContact OE1-NH2 3.14Å; E1664-R1747 IonicContact OE2-NH1 3.27Å; E1664-R1747 PolarHBondContact OE2-NH1 3.36Å; E1664-R1747 IonicContact OE2-NH2 3.98Å | ||
| 1665 | A | 67.1 | Low | 58.9 | Low | 42 Ų | 42 | 79.1 Ų | 79.1 | 35% | 0.347 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 96.1 | -176 | 0 | 0 | 0 | 0 | 0 | 110.8 | V1651 A1653 | V1651-A1665 WeakPolarHBondContact CB-O 3.41Å; V1651-A1665 PolarHBondContact N-O 2.88Å; V1651-A1665 WeakPolarHBondContact O-CB 3.5Å; V1651-A1665 PolarHBondContact O-N 3.38Å; A1653-A1665 HydrophobicContact CB-CB 3.84Å |
| 1666 | Y | 79.5 | Confident | 61.5 | Low | 101 Ų | 101 | 76 Ų | 76 | 40% | 0.396 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 123.6 | -177.9 | -53.3 | -56 | 0 | 0 | 0 | 113.2 | E1664 V1745 | E1664-Y1666 HydrophobicContact CB-CD1 4.34Å; E1664-Y1666 HydrophobicContact CB-CE1 3.63Å; E1664-Y1666 PolarHBondContact O-N 2.73Å; E1664-Y1666 WeakPolarHBondContact OE2-CE1 3.08Å; Y1666-V1745 HydrophobicContact CD1-CG1 3.81Å; Y1666-V1745 HydrophobicContact CD1-CG2 3.83Å; Y1666-V1745 HydrophobicContact CE1-CB 4.29Å; Y1666-V1745 HydrophobicContact CE1-CG1 3.64Å; Y1666-V1745 HydrophobicContact CE1-CG2 3.64Å |
| 1667 | I | 86 | Confident | 64 | Low | 16 Ų | 16 | 80.2 Ų | 80.2 | 8% | 0.082 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 109.9 | 169.6 | -59.7 | -171.8 | 0 | 0 | 0 | 108.8 | A1648 V1649 V1651 I1669 F1761 R1927 D1931 | A1648-I1667 CarbonylContact C-O 3.59Å; A1648-I1667 WeakPolarHBondContact CA-O 3.43Å; A1648-I1667 WeakPolarHBondContact CB-O 3.26Å; V1649-I1667 PolarHBondContact N-O 3.37Å; V1649-I1667 PolarHBondContact O-N 2.92Å; V1651-I1667 HydrophobicContact CG2-CD1 3.68Å; V1651-I1667 HydrophobicContact CG2-CG1 3.93Å; I1667-I1669 HydrophobicContact CG2-CG2 4.5Å; I1667-I1669 PolarHBondContact O-N 3.31Å; I1667-F1761 HydrophobicContact CD1-CE1 4.16Å; I1667-R1927 VanDerWaalsContact CD1-NH2 3.27Å; I1667-D1931 WeakPolarHBondContact CG2-OD1 3.47Å |
| 1668 | F | 87.7 | Confident | 66.9 | Low | 52 Ų | 52 | 77 Ų | 77 | 23% | 0.228 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 110.5 | -179.6 | -66.9 | -79.2 | 0 | 0 | 0 | 111.4 | R1646 A1648 T1743 V1934 | R1646-F1668 HydrophobicContact CB-CD1 4.11Å; R1646-F1668 HydrophobicContact CB-CE1 4.22Å; A1648-F1668 HydrophobicContact CB-CD1 3.9Å; A1648-F1668 HydrophobicContact CB-CE1 4.25Å; A1648-F1668 HydrophobicContact CB-CG 4.42Å; F1668-T1743 HydrophobicContact CE1-CG2 3.92Å; F1668-V1934 HydrophobicContact CB-CG1 3.72Å; F1668-V1934 WeakPolarHBondContact O-CG1 3.34Å |
| 1669 | I | 90.7 | Very high | 69.8 | Low | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.041 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | -16.1 | -175.2 | 60.6 | 162.3 | 0 | 0 | 0 | 114.1 | V1647 V1649 I1667 V1690 F1691 Y1694 I1746 | V1647-I1669 HydrophobicContact CB-CD1 4.47Å; V1647-I1669 HydrophobicContact CB-CG1 4.1Å; V1647-I1669 HydrophobicContact CG1-CD1 3.86Å; V1647-I1669 HydrophobicContact CG1-CG1 3.95Å; V1647-I1669 VanDerWaalsContact O-CG1 3.3Å; V1647-I1669 WeakPolarHBondContact O-CG1 3.35Å; V1647-I1669 PolarHBondContact O-N 2.81Å; V1649-I1669 HydrophobicContact CG2-CD1 4.11Å; V1649-I1669 HydrophobicContact CG2-CG2 3.75Å; I1667-I1669 HydrophobicContact CG2-CG2 4.5Å; I1667-I1669 PolarHBondContact O-N 3.31Å; I1669-V1690 HydrophobicContact CD1-CG1 4.01Å; I1669-V1690 HydrophobicContact CG1-CG1 4.04Å; I1669-F1691 HydrophobicContact CD1-CB 4.23Å; I1669-F1691 HydrophobicContact CD1-CD2 3.99Å; I1669-Y1694 HydrophobicContact CB-CD1 4.36Å; I1669-Y1694 HydrophobicContact CB-CD2 3.6Å; I1669-Y1694 HydrophobicContact CB-CE2 4.17Å; I1669-Y1694 HydrophobicContact CB-CG 3.71Å; I1669-Y1694 HydrophobicContact CG2-CD1 3.91Å; I1669-Y1694 HydrophobicContact CG2-CD2 3.64Å; I1669-Y1694 HydrophobicContact CG2-CE1 4.01Å; I1669-Y1694 HydrophobicContact CG2-CE2 3.74Å; I1669-Y1694 HydrophobicContact CG2-CG 3.72Å; I1669-I1746 HydrophobicContact CD1-CD1 3.75Å |
| 1670 | G | 88.6 | Confident | 72.6 | Confident | 16 Ų | 16 | 69.8 Ų | 69.8 | 17% | 0.165 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163 | -154.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | V1647 | V1647-G1670 PolarHBondContact N-O 2.88Å; V1647-G1670 PolarHBondContact O-N 2.9Å |
| 1671 | C | 87.3 | Confident | 75.3 | Confident | 43 Ų | 43 | 65.7 Ų | 65.7 | 29% | 0.291 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 141.7 | 174.9 | 64.2 | 0 | 0 | 0 | 0 | 113.1 | R1644 I1645 | R1644-C1671 HydrophobicContact CG-CB 4.29Å; R1644-C1671 PolarHBondContact NE-SG 2.94Å; R1644-C1671 PolarHBondContact NH2-SG 3.28Å; I1645-C1671 CarbonylContact O-C 3.58Å; I1645-C1671 WeakPolarHBondContact O-CA 3.41Å; I1645-C1671 WeakPolarHBondContact O-CB 3.45Å |
| 1672 | C | 89 | Confident | 78.3 | Confident | 5 Ų | 5 | 66.4 Ų | 66.4 | 3% | 0.034 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 172.3 | 171.1 | 68.8 | 0 | 0 | 0 | 0 | 111.2 | I1645 V1647 L1686 V1690 | I1645-C1672 PolarHBondContact N-O 3.48Å; I1645-C1672 PolarHBondContact O-N 3.42Å; V1647-C1672 HydrophobicContact CG2-CB 4.27Å; C1672-L1686 HydrophobicContact CB-CB 4.23Å; C1672-V1690 HydrophobicContact CB-CG2 4.32Å |
| 1673 | H | 87.8 | Confident | 81.1 | Confident | 59 Ų | 59 | 60.7 Ų | 60.7 | 27% | 0.273 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 124.3 | 178.5 | -69.9 | 83.3 | 0 | 0 | 0 | 109.5 | F333 M1643 R1644 | F333-H1673 AromaticContact CE1-CE1 3.48Å; F333-H1673 VanDerWaalsContact CE1-CE1 3.48Å; F333-H1673 WeakPolarHBondContact CE1-CE1 3.3Å; F333-H1673 AromaticContact CE1-NE2 3.42Å; F333-H1673 WeakPolarHBondContact CE1-NE2 3.43Å; F333-H1673 AromaticContact CZ-CE1 3.92Å; F333-H1673 AromaticContact CZ-NE2 3.71Å; M1643-H1673 WeakPolarHBondContact O-CA 3.27Å; R1644-H1673 WeakPolarHBondContact CB-NE2 3.42Å; R1644-H1673 WeakPolarHBondContact CD-NE2 3.5Å; R1644-H1673 VanDerWaalsContact CG-NE2 3.3Å; R1644-H1673 WeakPolarHBondContact CG-NE2 3.23Å |
| 1674 | I | 86.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 142.2 | -179.9 | -68.9 | -175.2 | 0 | 0 | 0 | 108.1 | C1642 M1643 I1645 T1678 C1683 P1732 Y1733 | C1642-I1674 CarbonylContact C-O 3.53Å; C1642-I1674 WeakPolarHBondContact CA-O 3.47Å; C1642-I1674 PolarHBondContact SG-O 2.84Å; M1643-I1674 PolarHBondContact N-O 2.96Å; M1643-I1674 PolarHBondContact O-N 3.44Å; I1645-I1674 HydrophobicContact CD1-CB 3.55Å; I1645-I1674 HydrophobicContact CD1-CD1 3.5Å; I1645-I1674 VanDerWaalsContact CD1-CD1 3.5Å; I1645-I1674 HydrophobicContact CD1-CG1 3.56Å; I1645-I1674 HydrophobicContact CD1-CG2 4.46Å; I1674-T1678 HydrophobicContact CG1-CG2 4.26Å; I1674-T1678 HydrophobicContact CG2-CG2 4.2Å; I1674-C1683 HydrophobicContact CD1-CB 4.22Å; I1674-C1683 VanDerWaalsContact CD1-SG 3.54Å; I1674-P1732 HydrophobicContact CD1-CB 3.94Å; I1674-P1732 HydrophobicContact CG2-CB 3.99Å; I1674-Y1733 HydrophobicContact CG2-CD2 4.38Å |
| 1675 | S | 85.9 | Confident | 85.3 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 165.9 | 176.9 | 68.1 | 0 | 0 | 0 | 0 | 109.8 | E1641 K1677 T1678 | E1641-S1675 VanDerWaalsContact O-CA 3.26Å; E1641-S1675 WeakPolarHBondContact O-CA 3.45Å; E1641-S1675 WeakPolarHBondContact O-CB 3.28Å; S1675-K1677 PolarHBondContact O-N 3.41Å; S1675-K1677 PolarHBondContact OG-N 2.88Å; S1675-T1678 PolarHBondContact N-OG1 2.83Å; S1675-T1678 WeakPolarHBondContact O-CB 3.35Å; S1675-T1678 PolarHBondContact O-N 3.27Å; S1675-T1678 PolarHBondContact O-OG1 3.2Å; S1675-T1678 PolarHBondContact OG-OG1 2.86Å |
| 1676 | G | 81.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 53.4 Ų | 53.4 | 40% | 0.402 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -11.9 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | E1641 | E1641-G1676 PolarHBondContact O-N 3.36Š|
| 1677 | K | 82.6 | Confident | 87 | Confident | 157 Ų | 157 | 48.7 Ų | 48.7 | 68% | 0.683 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103 | -4.3 | 178.1 | -63.8 | 173.3 | -176.1 | 166.7 | 0 | 114.3 | S1675 K1679 | S1675-K1677 PolarHBondContact O-N 3.41Å; S1675-K1677 PolarHBondContact OG-N 2.88Å; K1677-K1679 PolarHBondContact O-N 3.46Å |
| 1678 | T | 84.2 | Confident | 87.2 | Confident | 15 Ų | 15 | 48.7 Ų | 48.7 | 9% | 0.092 | 26% | 0.255 | C | S | . | . | trans | -74.7 | 123.3 | -179 | -60.6 | 0 | 0 | 0 | 0 | 110 | I1674 S1675 R1682 P1732 | I1674-T1678 HydrophobicContact CG1-CG2 4.26Å; I1674-T1678 HydrophobicContact CG2-CG2 4.2Å; S1675-T1678 PolarHBondContact N-OG1 2.83Å; S1675-T1678 WeakPolarHBondContact O-CB 3.35Å; S1675-T1678 PolarHBondContact O-N 3.27Å; S1675-T1678 PolarHBondContact O-OG1 3.2Å; S1675-T1678 PolarHBondContact OG-OG1 2.86Å; T1678-R1682 HydrophobicContact CG2-CB 4.1Å; T1678-R1682 HydrophobicContact CG2-CG 4.13Å; T1678-P1732 VanDerWaalsContact O-CD 3.27Å; T1678-P1732 WeakPolarHBondContact O-CD 3.48Å | ||
| 1679 | K | 85.6 | Confident | 87.5 | Confident | 145 Ų | 145 | 50.7 Ų | 50.7 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | trans | -81.7 | 164.7 | 170 | -66.3 | -171.1 | 175.4 | -169.2 | 0 | 112.1 | K1677 R1682 C1683 | K1677-K1679 PolarHBondContact O-N 3.46Å; K1679-R1682 WeakPolarHBondContact O-CB 3.2Å; K1679-R1682 PolarHBondContact O-N 3.38Å; K1679-R1682 VanDerWaalsContact O-N 3.11Å; K1679-C1683 PolarHBondContact O-N 3.42Å | ||
| 1680 | W | 85 | Confident | 87.5 | Confident | 19 Ų | 19 | 51.1 Ų | 51.1 | 7% | 0.072 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -55.8 | -54.8 | 175.9 | -70.1 | 107.9 | 0 | 0 | 0 | 113 | R1682 C1683 D1684 I1716 L1721 P1726 C1730 P1732 F1735 | W1680-R1682 CarbonylContact O-C 3.56Å; W1680-R1682 PolarHBondContact O-N 2.77Å; W1680-C1683 HydrophobicContact CE3-CB 4.38Å; W1680-C1683 CarbonylContact O-C 3.56Å; W1680-C1683 VanDerWaalsContact O-CA 3.31Å; W1680-C1683 WeakPolarHBondContact O-CA 3.23Å; W1680-C1683 VanDerWaalsContact O-CB 3.22Å; W1680-C1683 WeakPolarHBondContact O-CB 3.43Å; W1680-C1683 PolarHBondContact O-N 2.67Å; W1680-D1684 VanDerWaalsContact O-CG 3.25Å; W1680-D1684 PolarHBondContact O-N 3Å; W1680-I1716 HydrophobicContact CH2-CD1 4.48Å; W1680-I1716 HydrophobicContact CZ3-CD1 4.09Å; W1680-L1721 HydrophobicContact CE3-CD1 3.83Å; W1680-L1721 HydrophobicContact CH2-CD1 3.65Å; W1680-L1721 HydrophobicContact CZ3-CD1 3.2Å; W1680-L1721 HydrophobicContact CZ3-CG 4.47Å; W1680-P1726 HydrophobicContact CB-CB 4.14Å; W1680-P1726 HydrophobicContact CB-CG 4.39Å; W1680-P1726 HydrophobicContact CD2-CB 4.05Å; W1680-P1726 HydrophobicContact CG-CB 3.53Å; W1680-P1726 HydrophobicContact CG-CG 4.22Å; W1680-C1730 PolarHBondContact NE1-O 2.95Å; W1680-P1732 HydrophobicContact CD2-CG 3.63Å; W1680-P1732 HydrophobicContact CE3-CB 4.2Å; W1680-P1732 HydrophobicContact CE3-CG 3.62Å; W1680-P1732 HydrophobicContact CG-CG 4.13Å; W1680-P1732 HydrophobicContact CH2-CB 4.1Å; W1680-P1732 HydrophobicContact CH2-CG 4.21Å; W1680-P1732 HydrophobicContact CZ2-CB 4.45Å; W1680-P1732 HydrophobicContact CZ2-CG 4.24Å; W1680-P1732 HydrophobicContact CZ3-CB 3.94Å; W1680-P1732 HydrophobicContact CZ3-CG 3.88Å; W1680-F1735 AromaticContact CH2-CD2 3.71Å; W1680-F1735 HydrophobicContact CH2-CD2 3.71Å; W1680-F1735 HydrophobicContact CH2-CE2 4.22Å; W1680-F1735 HydrophobicContact CH2-CG 4.37Å; W1680-F1735 AromaticContact CZ2-CD2 3.53Å; W1680-F1735 HydrophobicContact CZ2-CD2 3.53Å; W1680-F1735 AromaticContact CZ2-CE2 3.68Å; W1680-F1735 HydrophobicContact CZ2-CE2 3.68Å |
| 1681 | D | 85.3 | Confident | 87.8 | Confident | 108 Ų | 108 | 50.3 Ų | 50.3 | 58% | 0.578 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -49.7 | -29.4 | 174.9 | 5.2 | -66.8 | 0 | 0 | 0 | 113.7 | S1685 | D1681-S1685 VanDerWaalsContact O-CB 3.27Å; D1681-S1685 WeakPolarHBondContact O-CB 3.4Å; D1681-S1685 PolarHBondContact O-N 2.9Å; D1681-S1685 VanDerWaalsContact O-N 3.16Å; D1681-S1685 PolarHBondContact O-OG 3.02Å |
| 1682 | R | 87 | Confident | 88 | Confident | 153 Ų | 153 | 53.4 Ų | 53.4 | 58% | 0.577 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -84.3 | -32.5 | 174.3 | -172.9 | 55.6 | 172.1 | -162.6 | -1.9 | 113.6 | T1678 K1679 W1680 L1686 | T1678-R1682 HydrophobicContact CG2-CB 4.1Å; T1678-R1682 HydrophobicContact CG2-CG 4.13Å; K1679-R1682 WeakPolarHBondContact O-CB 3.2Å; K1679-R1682 PolarHBondContact O-N 3.38Å; K1679-R1682 VanDerWaalsContact O-N 3.11Å; W1680-R1682 CarbonylContact O-C 3.56Å; W1680-R1682 PolarHBondContact O-N 2.77Å; R1682-L1686 HydrophobicContact CG-CD1 4.41Å; R1682-L1686 WeakPolarHBondContact O-CB 3.32Å; R1682-L1686 WeakPolarHBondContact O-CD1 3.45Å; R1682-L1686 WeakPolarHBondContact O-CG 3.48Å; R1682-L1686 PolarHBondContact O-N 2.8Å; R1682-L1686 VanDerWaalsContact O-N 3.13Å |
| 1683 | C | 87.1 | Confident | 88.1 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.1 | -52.9 | 167.6 | -176 | 0 | 0 | 0 | 0 | 110.1 | I1674 K1679 W1680 S1685 L1686 V1687 P1732 | I1674-C1683 HydrophobicContact CD1-CB 4.22Å; I1674-C1683 VanDerWaalsContact CD1-SG 3.54Å; K1679-C1683 PolarHBondContact O-N 3.42Å; W1680-C1683 HydrophobicContact CE3-CB 4.38Å; W1680-C1683 CarbonylContact O-C 3.56Å; W1680-C1683 VanDerWaalsContact O-CA 3.31Å; W1680-C1683 WeakPolarHBondContact O-CA 3.23Å; W1680-C1683 VanDerWaalsContact O-CB 3.22Å; W1680-C1683 WeakPolarHBondContact O-CB 3.43Å; W1680-C1683 PolarHBondContact O-N 2.67Å; C1683-S1685 VanDerWaalsContact C-N 3.33Å; C1683-S1685 PolarHBondContact O-N 3.45Å; C1683-L1686 CarbonylContact O-C 3.48Å; C1683-L1686 WeakPolarHBondContact O-CA 3.33Å; C1683-L1686 WeakPolarHBondContact O-CB 3.34Å; C1683-L1686 PolarHBondContact O-N 3.41Å; C1683-V1687 WeakPolarHBondContact O-CG2 3.34Å; C1683-V1687 PolarHBondContact O-N 3.46Å; C1683-P1732 HydrophobicContact CB-CB 4.17Å; C1683-P1732 HydrophobicContact CB-CG 3.82Å |
| 1684 | D | 87.3 | Confident | 88.3 | Confident | 55 Ų | 55 | 55.4 Ų | 55.4 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | -178.8 | -52.7 | 5 | 0 | 0 | 0 | 110.4 | W1680 L1686 V1687 A1688 F1714 | W1680-D1684 VanDerWaalsContact O-CG 3.25Å; W1680-D1684 PolarHBondContact O-N 3Å; D1684-L1686 PolarHBondContact O-N 2.89Å; D1684-V1687 PolarHBondContact O-N 2.82Å; D1684-A1688 VanDerWaalsContact O-CB 3.29Å; D1684-A1688 WeakPolarHBondContact O-CB 3.42Å; D1684-A1688 PolarHBondContact O-N 2.78Å; D1684-F1714 HydrophobicContact CB-CE1 4.49Å; D1684-F1714 VanDerWaalsContact OD1-CZ 3.24Å; D1684-F1714 WeakPolarHBondContact OD1-CZ 3.31Å |
| 1685 | S | 89.4 | Confident | 88.6 | Confident | 63 Ų | 63 | 56.3 Ų | 56.3 | 44% | 0.441 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.4 | -33.6 | 172.9 | -67.8 | 0 | 0 | 0 | 0 | 113.7 | D1681 C1683 K1689 | D1681-S1685 VanDerWaalsContact O-CB 3.27Å; D1681-S1685 WeakPolarHBondContact O-CB 3.4Å; D1681-S1685 PolarHBondContact O-N 2.9Å; D1681-S1685 VanDerWaalsContact O-N 3.16Å; D1681-S1685 PolarHBondContact O-OG 3.02Å; C1683-S1685 VanDerWaalsContact C-N 3.33Å; C1683-S1685 PolarHBondContact O-N 3.45Å; S1685-K1689 WeakPolarHBondContact O-CB 3.38Å; S1685-K1689 PolarHBondContact O-N 2.89Å; S1685-K1689 VanDerWaalsContact O-N 3.16Å |
| 1686 | L | 90.6 | Very high | 88.8 | Confident | 38 Ų | 38 | 60.1 Ų | 60.1 | 20% | 0.199 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -78.7 | -44.4 | 177.6 | -75 | 166.1 | 0 | 0 | 0 | 111.6 | C1672 R1682 C1683 D1684 K1689 V1690 | C1672-L1686 HydrophobicContact CB-CB 4.23Å; R1682-L1686 HydrophobicContact CG-CD1 4.41Å; R1682-L1686 WeakPolarHBondContact O-CB 3.32Å; R1682-L1686 WeakPolarHBondContact O-CD1 3.45Å; R1682-L1686 WeakPolarHBondContact O-CG 3.48Å; R1682-L1686 PolarHBondContact O-N 2.8Å; R1682-L1686 VanDerWaalsContact O-N 3.13Å; C1683-L1686 CarbonylContact O-C 3.48Å; C1683-L1686 WeakPolarHBondContact O-CA 3.33Å; C1683-L1686 WeakPolarHBondContact O-CB 3.34Å; C1683-L1686 PolarHBondContact O-N 3.41Å; D1684-L1686 PolarHBondContact O-N 2.89Å; L1686-K1689 WeakPolarHBondContact O-CB 3.39Å; L1686-K1689 PolarHBondContact O-N 3.27Å; L1686-V1690 WeakPolarHBondContact O-CG2 3.45Å; L1686-V1690 PolarHBondContact O-N 2.83Å |
| 1687 | V | 91 | Very high | 89.2 | Confident | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.012 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61 | -49.7 | 176.6 | 175 | 0 | 0 | 0 | 0 | 110.1 | V1647 C1683 D1684 K1689 V1690 F1691 F1714 V1744 I1746 | V1647-V1687 HydrophobicContact CG1-CG1 4.27Å; C1683-V1687 WeakPolarHBondContact O-CG2 3.34Å; C1683-V1687 PolarHBondContact O-N 3.46Å; D1684-V1687 PolarHBondContact O-N 2.82Å; V1687-K1689 VanDerWaalsContact C-N 3.27Å; V1687-K1689 PolarHBondContact O-N 2.82Å; V1687-V1690 PolarHBondContact O-N 3.3Å; V1687-V1690 VanDerWaalsContact O-N 3.15Å; V1687-F1691 PolarHBondContact O-N 2.72Å; V1687-F1714 HydrophobicContact CG1-CD1 4.37Å; V1687-F1714 HydrophobicContact CG1-CG 4.49Å; V1687-V1744 HydrophobicContact CG1-CG1 4.37Å; V1687-V1744 HydrophobicContact CG2-CG1 4.06Å; V1687-I1746 HydrophobicContact CG1-CD1 3.62Å; V1687-I1746 HydrophobicContact CG1-CG1 3.7Å |
| 1688 | A | 91.7 | Very high | 89.6 | Confident | 17 Ų | 17 | 55.5 Ų | 55.5 | 14% | 0.14 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.6 | -26.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | D1684 R1692 I1711 | D1684-A1688 VanDerWaalsContact O-CB 3.29Å; D1684-A1688 WeakPolarHBondContact O-CB 3.42Å; D1684-A1688 PolarHBondContact O-N 2.78Å; A1688-R1692 WeakPolarHBondContact O-CG 3.49Å; A1688-R1692 VanDerWaalsContact O-CZ 3.25Å; A1688-R1692 PolarHBondContact O-N 2.96Å; A1688-R1692 PolarHBondContact O-NE 2.95Å; A1688-R1692 PolarHBondContact O-NH1 3.5Å; A1688-I1711 HydrophobicContact CB-CD1 4.31Å |
| 1689 | K | 92.5 | Very high | 89.9 | Confident | 93 Ų | 93 | 55 Ų | 55 | 40% | 0.404 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.8 | -49.3 | 169.4 | -171.4 | -165.5 | -179 | -104.9 | 0 | 110.9 | S1685 L1686 V1687 F1691 R1692 E1693 | S1685-K1689 WeakPolarHBondContact O-CB 3.38Å; S1685-K1689 PolarHBondContact O-N 2.89Å; S1685-K1689 VanDerWaalsContact O-N 3.16Å; L1686-K1689 WeakPolarHBondContact O-CB 3.39Å; L1686-K1689 PolarHBondContact O-N 3.27Å; V1687-K1689 VanDerWaalsContact C-N 3.27Å; V1687-K1689 PolarHBondContact O-N 2.82Å; K1689-F1691 VanDerWaalsContact C-N 3.28Å; K1689-F1691 PolarHBondContact O-N 3.45Å; K1689-R1692 PolarHBondContact O-N 3.18Å; K1689-E1693 IonicContact NZ-OE2 2.66Å; K1689-E1693 PolarHBondContact NZ-OE2 3.32Å; K1689-E1693 WeakPolarHBondContact O-CB 3.15Å; K1689-E1693 PolarHBondContact O-N 3.32Å |
| 1690 | V | 92.4 | Very high | 89.9 | Confident | 17 Ų | 17 | 51.7 Ų | 51.7 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -40.3 | 179.8 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | V1647 I1669 C1672 L1686 V1687 E1693 Y1694 | V1647-V1690 HydrophobicContact CB-CG1 4.06Å; V1647-V1690 HydrophobicContact CG1-CG1 4.44Å; V1647-V1690 HydrophobicContact CG2-CB 4.48Å; V1647-V1690 HydrophobicContact CG2-CG1 4.28Å; V1647-V1690 HydrophobicContact CG2-CG2 4.46Å; I1669-V1690 HydrophobicContact CD1-CG1 4.01Å; I1669-V1690 HydrophobicContact CG1-CG1 4.04Å; C1672-V1690 HydrophobicContact CB-CG2 4.32Å; L1686-V1690 WeakPolarHBondContact O-CG2 3.45Å; L1686-V1690 PolarHBondContact O-N 2.83Å; V1687-V1690 PolarHBondContact O-N 3.3Å; V1687-V1690 VanDerWaalsContact O-N 3.15Å; V1690-E1693 PolarHBondContact O-N 3.46Å; V1690-Y1694 WeakPolarHBondContact O-CB 3.21Å; V1690-Y1694 PolarHBondContact O-N 3.06Å |
| 1691 | F | 93.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 174.9 | -170.8 | -118.3 | 0 | 0 | 0 | 113 | V1649 I1669 V1687 K1689 E1693 Y1694 L1695 N1707 I1711 I1746 L1748 F1761 | V1649-F1691 HydrophobicContact CG2-CD2 4.18Å; V1649-F1691 HydrophobicContact CG2-CE2 4.05Å; I1669-F1691 HydrophobicContact CD1-CB 4.23Å; I1669-F1691 HydrophobicContact CD1-CD2 3.99Å; V1687-F1691 PolarHBondContact O-N 2.72Å; K1689-F1691 VanDerWaalsContact C-N 3.28Å; K1689-F1691 PolarHBondContact O-N 3.45Å; F1691-E1693 VanDerWaalsContact C-N 3.34Å; F1691-E1693 PolarHBondContact O-N 2.88Å; F1691-Y1694 PolarHBondContact O-N 3.38Å; F1691-L1695 HydrophobicContact CD1-CD1 3.98Å; F1691-L1695 HydrophobicContact CE1-CD1 3.57Å; F1691-L1695 HydrophobicContact CE1-CG 4.32Å; F1691-L1695 HydrophobicContact CE2-CG 4.43Å; F1691-L1695 HydrophobicContact CZ-CD1 3.87Å; F1691-L1695 HydrophobicContact CZ-CD2 4.34Å; F1691-L1695 HydrophobicContact CZ-CG 4.22Å; F1691-L1695 WeakPolarHBondContact O-CG 3.43Å; F1691-L1695 PolarHBondContact O-N 3.39Å; F1691-N1707 WeakPolarHBondContact CE1-O 3.27Å; F1691-I1711 HydrophobicContact CB-CD1 4.23Å; F1691-I1711 HydrophobicContact CD1-CD1 3.99Å; F1691-I1711 HydrophobicContact CD1-CG1 4.01Å; F1691-I1711 HydrophobicContact CE1-CG1 4.29Å; F1691-I1711 HydrophobicContact CG-CD1 4.27Å; F1691-I1746 HydrophobicContact CB-CD1 4.06Å; F1691-I1746 HydrophobicContact CD2-CD1 4.25Å; F1691-I1746 HydrophobicContact CG-CD1 4.37Å; F1691-L1748 HydrophobicContact CE1-CD2 4.06Å; F1691-L1748 HydrophobicContact CE2-CD1 4.45Å; F1691-L1748 HydrophobicContact CE2-CD2 3.93Å; F1691-L1748 HydrophobicContact CZ-CD1 4.16Å; F1691-L1748 HydrophobicContact CZ-CD2 3.51Å; F1691-L1748 HydrophobicContact CZ-CG 4.49Å; F1691-F1761 HydrophobicContact CE2-CD2 4.34Å; F1691-F1761 AromaticContact CE2-CE2 3.95Å; F1691-F1761 HydrophobicContact CE2-CE2 3.95Å |
| 1692 | R | 92.4 | Very high | 90.1 | Very high | 108 Ų | 108 | 55.3 Ų | 55.3 | 41% | 0.408 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.3 | -38 | 174.9 | -71.7 | -176.1 | -60.5 | -96.9 | -3.2 | 112.9 | A1688 K1689 L1695 L1696 | A1688-R1692 WeakPolarHBondContact O-CG 3.49Å; A1688-R1692 VanDerWaalsContact O-CZ 3.25Å; A1688-R1692 PolarHBondContact O-N 2.96Å; A1688-R1692 PolarHBondContact O-NE 2.95Å; A1688-R1692 PolarHBondContact O-NH1 3.5Å; K1689-R1692 PolarHBondContact O-N 3.18Å; R1692-L1695 PolarHBondContact O-N 3.4Å; R1692-L1696 WeakPolarHBondContact O-CB 3.42Å; R1692-L1696 WeakPolarHBondContact O-CG 3.47Å; R1692-L1696 PolarHBondContact O-N 3.42Å |
| 1693 | E | 90.3 | Very high | 90.2 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 47% | 0.467 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -68.1 | -38.1 | 179 | -166.7 | 170.5 | 148.2 | 0 | 0 | 111.6 | K1689 V1690 F1691 R1697 | K1689-E1693 IonicContact NZ-OE2 2.66Å; K1689-E1693 PolarHBondContact NZ-OE2 3.32Å; K1689-E1693 WeakPolarHBondContact O-CB 3.15Å; K1689-E1693 PolarHBondContact O-N 3.32Å; V1690-E1693 PolarHBondContact O-N 3.46Å; F1691-E1693 VanDerWaalsContact C-N 3.34Å; F1691-E1693 PolarHBondContact O-N 2.88Å; E1693-R1697 WeakPolarHBondContact O-CG 3.1Å; E1693-R1697 PolarHBondContact O-N 2.71Å |
| 1694 | Y | 93 | Very high | 90.4 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 2% | 0.02 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -49.1 | 170 | 172.6 | -90 | 0 | 0 | 0 | 112 | I1669 V1690 F1691 L1696 R1697 V1698 F1761 I1930 | I1669-Y1694 HydrophobicContact CB-CD1 4.36Å; I1669-Y1694 HydrophobicContact CB-CD2 3.6Å; I1669-Y1694 HydrophobicContact CB-CE2 4.17Å; I1669-Y1694 HydrophobicContact CB-CG 3.71Å; I1669-Y1694 HydrophobicContact CG2-CD1 3.91Å; I1669-Y1694 HydrophobicContact CG2-CD2 3.64Å; I1669-Y1694 HydrophobicContact CG2-CE1 4.01Å; I1669-Y1694 HydrophobicContact CG2-CE2 3.74Å; I1669-Y1694 HydrophobicContact CG2-CG 3.72Å; V1690-Y1694 WeakPolarHBondContact O-CB 3.21Å; V1690-Y1694 PolarHBondContact O-N 3.06Å; F1691-Y1694 PolarHBondContact O-N 3.38Å; Y1694-L1696 PolarHBondContact O-N 2.86Å; Y1694-R1697 PolarHBondContact O-N 3.4Å; Y1694-V1698 HydrophobicContact CD1-CG2 4.27Å; Y1694-V1698 HydrophobicContact CE1-CG2 3.78Å; Y1694-V1698 HydrophobicContact CE2-CG2 4.06Å; Y1694-V1698 PolarHBondContact O-N 2.66Å; Y1694-V1698 VanDerWaalsContact O-N 3.1Å; Y1694-F1761 HydrophobicContact CD1-CE2 4.32Å; Y1694-F1761 AromaticContact CE1-CE2 3.62Å; Y1694-F1761 HydrophobicContact CE1-CE2 3.62Å; Y1694-F1761 AromaticContact CE1-CZ 3.95Å; Y1694-F1761 HydrophobicContact CE1-CZ 3.95Å; Y1694-I1930 HydrophobicContact CD2-CG2 3.8Å; Y1694-I1930 HydrophobicContact CE2-CG2 3.83Å |
| 1695 | L | 92.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 10% | 0.099 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.1 | -45 | 179.5 | -74.5 | 177.6 | 0 | 0 | 0 | 112 | F1691 R1692 R1697 V1698 D1699 L1706 | F1691-L1695 HydrophobicContact CD1-CD1 3.98Å; F1691-L1695 HydrophobicContact CE1-CD1 3.57Å; F1691-L1695 HydrophobicContact CE1-CG 4.32Å; F1691-L1695 HydrophobicContact CE2-CG 4.43Å; F1691-L1695 HydrophobicContact CZ-CD1 3.87Å; F1691-L1695 HydrophobicContact CZ-CD2 4.34Å; F1691-L1695 HydrophobicContact CZ-CG 4.22Å; F1691-L1695 WeakPolarHBondContact O-CG 3.43Å; F1691-L1695 PolarHBondContact O-N 3.39Å; R1692-L1695 PolarHBondContact O-N 3.4Å; L1695-R1697 PolarHBondContact O-N 2.78Å; L1695-V1698 PolarHBondContact O-N 2.77Å; L1695-D1699 CarbonylContact O-C 3.59Å; L1695-D1699 PolarHBondContact O-N 2.86Å; L1695-L1706 HydrophobicContact CD1-CB 3.9Å; L1695-L1706 HydrophobicContact CD2-CB 4.2Å; L1695-L1706 HydrophobicContact CD2-CD1 4.12Å |
| 1696 | L | 90.7 | Very high | 90.6 | Very high | 110 Ų | 110 | 49.2 Ų | 49.2 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.6 | -21 | 176.9 | -74.3 | 168.7 | 0 | 0 | 0 | 114 | R1692 Y1694 | R1692-L1696 WeakPolarHBondContact O-CB 3.42Å; R1692-L1696 WeakPolarHBondContact O-CG 3.47Å; R1692-L1696 PolarHBondContact O-N 3.42Å; Y1694-L1696 PolarHBondContact O-N 2.86Å |
| 1697 | R | 89.7 | Confident | 90.6 | Very high | 98 Ų | 98 | 50.9 Ų | 50.9 | 37% | 0.37 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -87.5 | -28.9 | 175.4 | -73.7 | -172.6 | 57.7 | 153.5 | 4.8 | 113.5 | E1693 Y1694 L1695 I1930 E1933 | E1693-R1697 WeakPolarHBondContact O-CG 3.1Å; E1693-R1697 PolarHBondContact O-N 2.71Å; Y1694-R1697 PolarHBondContact O-N 3.4Å; L1695-R1697 PolarHBondContact O-N 2.78Å; R1697-I1930 HydrophobicContact CB-CD1 3.52Å; R1697-I1930 HydrophobicContact CB-CG1 4.33Å; R1697-E1933 IonicContact CZ-OE1 2.69Å; R1697-E1933 IonicContact CZ-OE2 2.74Å; R1697-E1933 VanDerWaalsContact CZ-OE2 3.29Å; R1697-E1933 IonicContact NH1-OE2 2.84Å; R1697-E1933 PolarHBondContact NH1-OE2 3.36Å; R1697-E1933 IonicContact NH2-OE1 3.29Å; R1697-E1933 PolarHBondContact NH2-OE1 2.76Å; R1697-E1933 IonicContact NH2-OE2 3.73Å; R1697-E1933 PolarHBondContact NH2-OE2 3.49Å |
| 1698 | V | 90.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -83.7 | -45.8 | 175.9 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | Y1694 L1695 M1764 K1923 R1927 I1930 | Y1694-V1698 HydrophobicContact CD1-CG2 4.27Å; Y1694-V1698 HydrophobicContact CE1-CG2 3.78Å; Y1694-V1698 HydrophobicContact CE2-CG2 4.06Å; Y1694-V1698 PolarHBondContact O-N 2.66Å; Y1694-V1698 VanDerWaalsContact O-N 3.1Å; L1695-V1698 PolarHBondContact O-N 2.77Å; V1698-M1764 HydrophobicContact CG1-CE 4.07Å; V1698-M1764 HydrophobicContact CG1-SD 3.76Å; V1698-K1923 HydrophobicContact CG1-CB 4.29Å; V1698-R1927 HydrophobicContact CG1-CB 4.47Å; V1698-R1927 HydrophobicContact CG2-CB 4.39Å; V1698-I1930 HydrophobicContact CG2-CD1 3.57Å |
| 1699 | D | 89.8 | Confident | 90.5 | Very high | 5 Ų | 5 | 56.1 Ų | 56.1 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | trans | -130.5 | 88.3 | 179.5 | -174.3 | -13.7 | 0 | 0 | 0 | 110.2 | L1695 I1701 A1702 N1703 L1704 K1923 | L1695-D1699 CarbonylContact O-C 3.59Å; L1695-D1699 PolarHBondContact O-N 2.86Å; D1699-I1701 PolarHBondContact O-N 3.18Å; D1699-I1701 VanDerWaalsContact O-N 3.07Å; D1699-I1701 WeakPolarHBondContact OD1-CA 3.49Å; D1699-I1701 PolarHBondContact OD1-N 3.12Å; D1699-A1702 PolarHBondContact O-N 2.85Å; D1699-A1702 VanDerWaalsContact O-N 3.11Å; D1699-A1702 PolarHBondContact OD1-N 2.91Å; D1699-N1703 PolarHBondContact OD1-N 3.46Å; D1699-N1703 WeakPolarHBondContact OD2-CA 3.49Å; D1699-N1703 PolarHBondContact OD2-N 3.27Å; D1699-L1704 HydrophobicContact CB-CD1 4.01Å; D1699-L1704 HydrophobicContact CB-CG 4.31Å; D1699-L1704 WeakPolarHBondContact OD2-CG 3.46Å; D1699-L1704 PolarHBondContact OD2-N 2.86Å; D1699-K1923 IonicContact OD1-NZ 3.13Å; D1699-K1923 WeakPolarHBondContact OD2-CE 3.29Å; D1699-K1923 IonicContact OD2-NZ 2.68Å; D1699-K1923 PolarHBondContact OD2-NZ 2.93Å | ||
| 1700 | P | 86.6 | Confident | 90.4 | Very high | 75 Ų | 75 | 51.8 Ų | 51.8 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.3 | 177.7 | -23 | 34.6 | 0 | 0 | 0 | 114.8 | ||
| 1701 | I | 85.3 | Confident | 90.4 | Very high | 140 Ų | 140 | 52.3 Ų | 52.3 | 72% | 0.718 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | -10.4 | -178.5 | -54.7 | 177.4 | 0 | 0 | 0 | 110.6 | D1699 N1703 | D1699-I1701 PolarHBondContact O-N 3.18Å; D1699-I1701 VanDerWaalsContact O-N 3.07Å; D1699-I1701 WeakPolarHBondContact OD1-CA 3.49Å; D1699-I1701 PolarHBondContact OD1-N 3.12Å; I1701-N1703 HydrophobicContact CG2-CB 4.38Å; I1701-N1703 PolarHBondContact O-N 2.86Å |
| 1702 | A | 88.9 | Confident | 90.1 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 52% | 0.521 | 30% | 0.298 | S | S | . | . | trans | 56.7 | 23.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | D1699 L1704 G1705 | D1699-A1702 PolarHBondContact O-N 2.85Å; D1699-A1702 VanDerWaalsContact O-N 3.11Å; D1699-A1702 PolarHBondContact OD1-N 2.91Å; A1702-L1704 PolarHBondContact O-N 2.78Å; A1702-L1704 VanDerWaalsContact O-N 3.15Å; A1702-G1705 PolarHBondContact O-N 2.74Å; A1702-G1705 VanDerWaalsContact O-N 3.13Å | ||
| 1703 | N | 88 | Confident | 89.8 | Confident | 81 Ų | 81 | 51.1 Ų | 51.1 | 43% | 0.433 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18.1 | -179.1 | -171.9 | 40.9 | 0 | 0 | 0 | 113.6 | D1699 I1701 G1705 P1766 D1919 | D1699-N1703 PolarHBondContact OD1-N 3.46Å; D1699-N1703 WeakPolarHBondContact OD2-CA 3.49Å; D1699-N1703 PolarHBondContact OD2-N 3.27Å; I1701-N1703 HydrophobicContact CG2-CB 4.38Å; I1701-N1703 PolarHBondContact O-N 2.86Å; N1703-G1705 VanDerWaalsContact C-N 3.25Å; N1703-G1705 PolarHBondContact O-N 3.47Å; N1703-P1766 WeakPolarHBondContact O-CB 3.47Å; N1703-D1919 PolarHBondContact ND2-OD2 2.77Å |
| 1704 | L | 91.3 | Very high | 89.7 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -26.4 | 172.1 | -76 | 171.1 | 0 | 0 | 0 | 113.8 | D1699 A1702 L1706 M1764 K1767 K1923 | D1699-L1704 HydrophobicContact CB-CD1 4.01Å; D1699-L1704 HydrophobicContact CB-CG 4.31Å; D1699-L1704 WeakPolarHBondContact OD2-CG 3.46Å; D1699-L1704 PolarHBondContact OD2-N 2.86Å; A1702-L1704 PolarHBondContact O-N 2.78Å; A1702-L1704 VanDerWaalsContact O-N 3.15Å; L1704-L1706 HydrophobicContact CB-CD1 4.41Å; L1704-L1706 HydrophobicContact CB-CG 4.31Å; L1704-M1764 HydrophobicContact CD1-CE 4.43Å; L1704-M1764 HydrophobicContact CD1-SD 3.91Å; L1704-M1764 HydrophobicContact CD2-SD 4.46Å; L1704-K1767 WeakPolarHBondContact O-CB 3.42Å; L1704-K1767 PolarHBondContact O-N 2.84Å; L1704-K1923 HydrophobicContact CD2-CD 4.34Å; L1704-K1923 HydrophobicContact CG-CD 4.32Å |
| 1705 | G | 90.3 | Very high | 89.3 | Confident | 43 Ų | 43 | 47.4 Ų | 47.4 | 44% | 0.443 | 27% | 0.269 | S | S | . | . | trans | 73.8 | 24.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | A1702 N1703 K1767 | A1702-G1705 PolarHBondContact O-N 2.74Å; A1702-G1705 VanDerWaalsContact O-N 3.13Å; N1703-G1705 VanDerWaalsContact C-N 3.25Å; N1703-G1705 PolarHBondContact O-N 3.47Å; G1705-K1767 WeakPolarHBondContact O-CD 3.44Å | ||
| 1706 | L | 92.6 | Very high | 88.8 | Confident | 15 Ų | 15 | 46.5 Ų | 46.5 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | trans | -101.5 | 141.4 | 174.9 | -62.7 | 176.1 | 0 | 0 | 0 | 110.5 | L1695 L1704 D1757 A1760 F1761 | L1695-L1706 HydrophobicContact CD1-CB 3.9Å; L1695-L1706 HydrophobicContact CD2-CB 4.2Å; L1695-L1706 HydrophobicContact CD2-CD1 4.12Å; L1704-L1706 HydrophobicContact CB-CD1 4.41Å; L1704-L1706 HydrophobicContact CB-CG 4.31Å; L1706-D1757 HydrophobicContact CD2-CB 3.78Å; L1706-D1757 WeakPolarHBondContact CD2-O 3.25Å; L1706-A1760 HydrophobicContact CD2-CB 4.25Å; L1706-F1761 HydrophobicContact CD1-CB 3.85Å; L1706-F1761 HydrophobicContact CD1-CD2 4.02Å; L1706-F1761 HydrophobicContact CD1-CG 4.46Å | ||
| 1707 | N | 90.3 | Very high | 88 | Confident | 72 Ų | 72 | 43 Ų | 43 | 39% | 0.385 | 25% | 0.254 | S | S | . | . | trans | -145.3 | -166.3 | -179.5 | 76.3 | -3.8 | 0 | 0 | 0 | 111.7 | F1691 D1709 S1710 | F1691-N1707 WeakPolarHBondContact CE1-O 3.27Å; N1707-D1709 VanDerWaalsContact C-N 3.27Å; N1707-D1709 PolarHBondContact ND2-OD2 2.72Å; N1707-D1709 PolarHBondContact O-N 3.22Å; N1707-D1709 WeakPolarHBondContact OD1-CA 3.37Å; N1707-D1709 VanDerWaalsContact OD1-CB 3.31Å; N1707-D1709 WeakPolarHBondContact OD1-CB 3.39Å; N1707-D1709 PolarHBondContact OD1-N 2.89Å; N1707-D1709 PolarHBondContact OD1-OD2 3.12Å; N1707-S1710 PolarHBondContact N-OG 3.45Å; N1707-S1710 VanDerWaalsContact O-CB 3.29Å; N1707-S1710 WeakPolarHBondContact O-CB 3.34Å; N1707-S1710 PolarHBondContact O-N 2.97Å; N1707-S1710 PolarHBondContact O-OG 3.02Å; N1707-S1710 PolarHBondContact OD1-N 2.83Å; N1707-S1710 VanDerWaalsContact OD1-N 3.16Å | ||
| 1708 | A | 89.4 | Confident | 87 | Confident | 28 Ų | 28 | 45 Ų | 45 | 23% | 0.231 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -68.5 | -25.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | S1710 I1711 | A1708-S1710 VanDerWaalsContact C-N 3.29Å; A1708-I1711 PolarHBondContact O-N 3.43Å |
| 1709 | D | 89.7 | Confident | 86 | Confident | 102 Ų | 102 | 48.5 Ų | 48.5 | 55% | 0.545 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -76.6 | -19.5 | 179 | -41.4 | -47.9 | 0 | 0 | 0 | 111.4 | N1707 I1711 R1749 | N1707-D1709 VanDerWaalsContact C-N 3.27Å; N1707-D1709 PolarHBondContact ND2-OD2 2.72Å; N1707-D1709 PolarHBondContact O-N 3.22Å; N1707-D1709 WeakPolarHBondContact OD1-CA 3.37Å; N1707-D1709 VanDerWaalsContact OD1-CB 3.31Å; N1707-D1709 WeakPolarHBondContact OD1-CB 3.39Å; N1707-D1709 PolarHBondContact OD1-N 2.89Å; N1707-D1709 PolarHBondContact OD1-OD2 3.12Å; D1709-I1711 PolarHBondContact O-N 2.92Å; D1709-I1711 VanDerWaalsContact O-N 3.14Å; D1709-R1749 PolarHBondContact O-NE 2.77Å; D1709-R1749 PolarHBondContact O-NH2 3Å |
| 1710 | S | 91.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 51.6 Ų | 51.6 | 1% | 0.014 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -59.8 | -15.7 | 170.7 | -59.5 | 0 | 0 | 0 | 0 | 113.8 | N1707 A1708 L1748 R1749 D1757 | N1707-S1710 PolarHBondContact N-OG 3.45Å; N1707-S1710 VanDerWaalsContact O-CB 3.29Å; N1707-S1710 WeakPolarHBondContact O-CB 3.34Å; N1707-S1710 PolarHBondContact O-N 2.97Å; N1707-S1710 PolarHBondContact O-OG 3.02Å; N1707-S1710 PolarHBondContact OD1-N 2.83Å; N1707-S1710 VanDerWaalsContact OD1-N 3.16Å; A1708-S1710 VanDerWaalsContact C-N 3.29Å; S1710-L1748 CarbonylContact O-C 3.6Å; S1710-L1748 WeakPolarHBondContact O-CA 3.25Å; S1710-R1749 PolarHBondContact O-N 3.17Å; S1710-D1757 VanDerWaalsContact CB-OD1 3.22Å; S1710-D1757 WeakPolarHBondContact CB-OD1 3.24Å; S1710-D1757 PolarHBondContact OG-OD1 2.85Å |
| 1711 | I | 91.6 | Very high | 84.3 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 134.3 | 173.1 | -60.6 | 175.5 | 0 | 0 | 0 | 109.3 | A1688 F1691 A1708 D1709 I1746 L1748 | A1688-I1711 HydrophobicContact CB-CD1 4.31Å; F1691-I1711 HydrophobicContact CB-CD1 4.23Å; F1691-I1711 HydrophobicContact CD1-CD1 3.99Å; F1691-I1711 HydrophobicContact CD1-CG1 4.01Å; F1691-I1711 HydrophobicContact CE1-CG1 4.29Å; F1691-I1711 HydrophobicContact CG-CD1 4.27Å; A1708-I1711 PolarHBondContact O-N 3.43Å; D1709-I1711 PolarHBondContact O-N 2.92Å; D1709-I1711 VanDerWaalsContact O-N 3.14Å; I1711-I1746 HydrophobicContact CB-CG2 4.49Å; I1711-I1746 HydrophobicContact CD1-CG2 4.41Å; I1711-I1746 HydrophobicContact CG1-CG2 3.96Å; I1711-I1746 HydrophobicContact CG2-CG2 4.07Å; I1711-L1748 HydrophobicContact CG1-CD2 4.36Å |
| 1712 | L | 88.1 | Confident | 83.2 | Confident | 50 Ų | 50 | 46.1 Ų | 46.1 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -55 | 173.1 | 174.9 | 64.7 | 0 | 0 | 0 | 111 | R1747 R1749 Q1753 | L1712-R1747 WeakPolarHBondContact CB-O 3.26Å; L1712-R1747 PolarHBondContact N-O 3.13Å; L1712-R1749 HydrophobicContact CB-CG 4.07Å; L1712-R1749 HydrophobicContact CD1-CG 4.47Å; L1712-Q1753 HydrophobicContact CD1-CG 3.73Å; L1712-Q1753 VanDerWaalsContact CD2-NE2 3.32Å |
| 1713 | Q | 87 | Confident | 81.6 | Confident | 32 Ų | 32 | 46 Ų | 46 | 15% | 0.15 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 172 | -176.2 | 63.5 | -176.7 | 59.1 | 0 | 0 | 108.8 | D1715 L1721 T1722 R1747 | Q1713-D1715 PolarHBondContact NE2-OD1 3.18Å; Q1713-L1721 WeakPolarHBondContact CA-O 3.37Å; Q1713-L1721 VanDerWaalsContact CB-O 3.29Å; Q1713-L1721 WeakPolarHBondContact CB-O 3.43Å; Q1713-T1722 HydrophobicContact CB-CG2 4.04Å; Q1713-R1747 HydrophobicContact CG-CB 3.76Å; Q1713-R1747 HydrophobicContact CG-CG 4.22Å; Q1713-R1747 PolarHBondContact O-N 2.79Å |
| 1714 | F | 87.5 | Confident | 79.9 | Confident | 14 Ų | 14 | 49.6 Ų | 49.6 | 6% | 0.061 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 147 | 162.2 | 60.5 | -92.5 | 0 | 0 | 0 | 111.6 | D1684 V1687 I1716 L1721 V1744 V1745 I1746 | D1684-F1714 HydrophobicContact CB-CE1 4.49Å; D1684-F1714 VanDerWaalsContact OD1-CZ 3.24Å; D1684-F1714 WeakPolarHBondContact OD1-CZ 3.31Å; V1687-F1714 HydrophobicContact CG1-CD1 4.37Å; V1687-F1714 HydrophobicContact CG1-CG 4.49Å; F1714-I1716 HydrophobicContact CD2-CD1 4.11Å; F1714-I1716 HydrophobicContact CD2-CG1 3.96Å; F1714-I1716 HydrophobicContact CE2-CD1 3.81Å; F1714-I1716 HydrophobicContact CE2-CG1 4.14Å; F1714-L1721 HydrophobicContact CD2-CD1 4.23Å; F1714-L1721 HydrophobicContact CE2-CB 4.15Å; F1714-L1721 HydrophobicContact CE2-CD1 3.47Å; F1714-L1721 VanDerWaalsContact CE2-CD1 3.47Å; F1714-L1721 HydrophobicContact CE2-CG 4.46Å; F1714-L1721 HydrophobicContact CZ-CB 4.22Å; F1714-L1721 HydrophobicContact CZ-CD1 3.97Å; F1714-L1721 PolarHBondContact N-O 2.86Å; F1714-L1721 PolarHBondContact O-N 3.31Å; F1714-V1744 HydrophobicContact CB-CG1 3.89Å; F1714-V1744 HydrophobicContact CD2-CG1 3.72Å; F1714-V1744 HydrophobicContact CG-CG1 4.04Å; F1714-V1745 CarbonylContact C-O 3.45Å; F1714-V1745 WeakPolarHBondContact CA-O 3.29Å; F1714-V1745 WeakPolarHBondContact CB-O 3.15Å; F1714-I1746 HydrophobicContact CB-CG1 4.46Å |
| 1715 | D | 84.5 | Confident | 78 | Confident | 13 Ų | 13 | 54.8 Ų | 54.8 | 7% | 0.07 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 135.4 | -174.1 | -47.1 | -46.5 | 0 | 0 | 0 | 109.3 | Q1713 F1719 T1720 V1744 V1745 R1747 | Q1713-D1715 PolarHBondContact NE2-OD1 3.18Å; D1715-F1719 WeakPolarHBondContact CA-O 3.42Å; D1715-T1720 WeakPolarHBondContact OD1-CA 3.37Å; D1715-T1720 WeakPolarHBondContact OD1-CB 3.15Å; D1715-T1720 PolarHBondContact OD1-OG1 2.75Å; D1715-V1744 WeakPolarHBondContact O-CA 3.46Å; D1715-V1745 HydrophobicContact CB-CB 4.4Å; D1715-V1745 PolarHBondContact N-O 3.36Å; D1715-V1745 PolarHBondContact O-N 3.15Å; D1715-R1747 WeakPolarHBondContact OD2-CD 3.49Å; D1715-R1747 IonicContact OD2-CZ 3.78Å; D1715-R1747 IonicContact OD2-NE 3.94Å; D1715-R1747 IonicContact OD2-NH1 2.88Å; D1715-R1747 PolarHBondContact OD2-NH1 2.94Å |
| 1716 | I | 82.5 | Confident | 76.7 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 83 | -177.9 | -56.4 | -163.2 | 0 | 0 | 0 | 109.8 | W1680 F1714 D1718 F1719 L1721 F1735 V1736 N1741 V1744 | W1680-I1716 HydrophobicContact CH2-CD1 4.48Å; W1680-I1716 HydrophobicContact CZ3-CD1 4.09Å; F1714-I1716 HydrophobicContact CD2-CD1 4.11Å; F1714-I1716 HydrophobicContact CD2-CG1 3.96Å; F1714-I1716 HydrophobicContact CE2-CD1 3.81Å; F1714-I1716 HydrophobicContact CE2-CG1 4.14Å; I1716-D1718 PolarHBondContact O-N 2.93Å; I1716-F1719 PolarHBondContact N-O 3.38Å; I1716-F1719 PolarHBondContact O-N 3.1Å; I1716-L1721 HydrophobicContact CD1-CD1 4.27Å; I1716-L1721 HydrophobicContact CG1-CD1 4.44Å; I1716-F1735 HydrophobicContact CG2-CB 4.07Å; I1716-V1736 HydrophobicContact CD1-CG2 4.37Å; I1716-V1736 HydrophobicContact CG2-CG2 3.53Å; I1716-N1741 HydrophobicContact CG2-CB 4.25Å; I1716-N1741 PolarHBondContact O-ND2 3.19Å; I1716-V1744 HydrophobicContact CD1-CG2 3.98Å; I1716-V1744 HydrophobicContact CG1-CG1 4.46Å; I1716-V1744 HydrophobicContact CG1-CG2 4.05Å |
| 1717 | G | 73.8 | Confident | 75.2 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 37% | 0.371 | 34% | 0.342 | S | S | . | . | S | Bend | trans | 59.1 | -130.3 | -162.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | F1719 | G1717-F1719 PolarHBondContact O-N 2.88Š|
| 1718 | D | 68.8 | Low | 73.6 | Confident | 140 Ų | 140 | 57.8 Ų | 57.8 | 75% | 0.749 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -70.5 | 9.5 | -177.1 | -25.7 | -64 | 0 | 0 | 0 | 114.8 | I1716 | I1716-D1718 PolarHBondContact O-N 2.93Š|
| 1719 | F | 69.4 | Low | 72.5 | Confident | 75 Ų | 75 | 64.2 Ų | 64.2 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | trans | -125.1 | 104 | -170.1 | -148.5 | -84.4 | 0 | 0 | 0 | 113 | D1715 I1716 G1717 L1721 P1727 F1735 | D1715-F1719 WeakPolarHBondContact CA-O 3.42Å; I1716-F1719 PolarHBondContact N-O 3.38Å; I1716-F1719 PolarHBondContact O-N 3.1Å; G1717-F1719 PolarHBondContact O-N 2.88Å; F1719-L1721 HydrophobicContact CD1-CD2 4.3Å; F1719-L1721 HydrophobicContact CD1-CG 4.19Å; F1719-L1721 HydrophobicContact CE1-CD2 4.11Å; F1719-L1721 HydrophobicContact CE1-CG 4.49Å; F1719-P1727 HydrophobicContact CE1-CG 3.85Å; F1719-P1727 HydrophobicContact CZ-CB 4.1Å; F1719-P1727 HydrophobicContact CZ-CG 3.76Å; F1719-F1735 HydrophobicContact CB-CD1 4.01Å; F1719-F1735 HydrophobicContact CB-CE1 4.16Å; F1719-F1735 HydrophobicContact CD1-CD1 4.49Å; F1719-F1735 HydrophobicContact CD1-CE1 4.1Å; F1719-F1735 HydrophobicContact CD1-CZ 4.39Å; F1719-F1735 HydrophobicContact CD2-CD1 4.12Å; F1719-F1735 AromaticContact CD2-CE1 3.4Å; F1719-F1735 HydrophobicContact CD2-CE1 3.4Å; F1719-F1735 HydrophobicContact CD2-CZ 4.11Å; F1719-F1735 HydrophobicContact CE1-CE1 4.4Å; F1719-F1735 HydrophobicContact CE1-CZ 4.31Å; F1719-F1735 AromaticContact CE2-CE1 3.73Å; F1719-F1735 HydrophobicContact CE2-CE1 3.73Å; F1719-F1735 HydrophobicContact CE2-CZ 4.01Å; F1719-F1735 AromaticContact CG-CD1 3.93Å; F1719-F1735 HydrophobicContact CG-CD1 3.93Å; F1719-F1735 AromaticContact CG-CE1 3.59Å; F1719-F1735 HydrophobicContact CG-CE1 3.59Å; F1719-F1735 HydrophobicContact CG-CZ 4.29Å; F1719-F1735 HydrophobicContact CZ-CE1 4.23Å; F1719-F1735 HydrophobicContact CZ-CZ 4.11Å | ||
| 1720 | T | 71.6 | Confident | 71.6 | Confident | 70 Ų | 70 | 61.9 Ų | 61.9 | 43% | 0.429 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 136.6 | 174.7 | -74.4 | 0 | 0 | 0 | 0 | 112 | D1715 T1722 | D1715-T1720 WeakPolarHBondContact OD1-CA 3.37Å; D1715-T1720 WeakPolarHBondContact OD1-CB 3.15Å; D1715-T1720 PolarHBondContact OD1-OG1 2.75Å; T1720-T1722 HydrophobicContact CG2-CG2 4.21Å |
| 1721 | L | 68.7 | Low | 71 | Confident | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.084 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 94.7 | 175.1 | -71 | 153.8 | 0 | 0 | 0 | 111 | W1680 Q1713 F1714 I1716 F1719 | W1680-L1721 HydrophobicContact CE3-CD1 3.83Å; W1680-L1721 HydrophobicContact CH2-CD1 3.65Å; W1680-L1721 HydrophobicContact CZ3-CD1 3.2Å; W1680-L1721 HydrophobicContact CZ3-CG 4.47Å; Q1713-L1721 WeakPolarHBondContact CA-O 3.37Å; Q1713-L1721 VanDerWaalsContact CB-O 3.29Å; Q1713-L1721 WeakPolarHBondContact CB-O 3.43Å; F1714-L1721 HydrophobicContact CD2-CD1 4.23Å; F1714-L1721 HydrophobicContact CE2-CB 4.15Å; F1714-L1721 HydrophobicContact CE2-CD1 3.47Å; F1714-L1721 VanDerWaalsContact CE2-CD1 3.47Å; F1714-L1721 HydrophobicContact CE2-CG 4.46Å; F1714-L1721 HydrophobicContact CZ-CB 4.22Å; F1714-L1721 HydrophobicContact CZ-CD1 3.97Å; F1714-L1721 PolarHBondContact N-O 2.86Å; F1714-L1721 PolarHBondContact O-N 3.31Å; I1716-L1721 HydrophobicContact CD1-CD1 4.27Å; I1716-L1721 HydrophobicContact CG1-CD1 4.44Å; F1719-L1721 HydrophobicContact CD1-CD2 4.3Å; F1719-L1721 HydrophobicContact CD1-CG 4.19Å; F1719-L1721 HydrophobicContact CE1-CD2 4.11Å; F1719-L1721 HydrophobicContact CE1-CG 4.49Å |
| 1722 | T | 63 | Low | 70.3 | Confident | 84 Ų | 84 | 62.8 Ų | 62.8 | 52% | 0.515 | 39% | 0.391 | S | S | . | . | trans | -79.1 | 162.9 | 162.7 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | Q1713 T1720 N1724 | Q1713-T1722 HydrophobicContact CB-CG2 4.04Å; T1720-T1722 HydrophobicContact CG2-CG2 4.21Å; T1722-N1724 PolarHBondContact O-N 3.31Å | ||
| 1723 | G | 54.2 | Low | 70.1 | Confident | 62 Ų | 62 | 61.3 Ų | 61.3 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | 129.7 | -162 | 0 | 0 | 0 | 0 | 0 | 116.8 | C1725 | G1723-C1725 VanDerWaalsContact C-N 3.3Å; G1723-C1725 PolarHBondContact O-N 2.94Å; G1723-C1725 VanDerWaalsContact O-N 3.11Å |
| 1724 | N | 52.1 | Low | 69.6 | Low | 156 Ų | 156 | 65.1 Ų | 65.1 | 83% | 0.834 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 1.9 | 163.3 | -61.3 | -4.6 | 0 | 0 | 0 | 119.1 | T1722 P1726 | T1722-N1724 PolarHBondContact O-N 3.31Å; N1724-P1726 VanDerWaalsContact C-CD 3.45Å; N1724-P1726 WeakPolarHBondContact O-CD 3.45Å |
| 1725 | C | 52.5 | Low | 69.1 | Low | 112 Ų | 112 | 65.4 Ų | 65.4 | 76% | 0.757 | 40% | 0.402 | S | S | * | . | trans | -114.1 | 77.3 | 177 | -99.3 | 0 | 0 | 0 | 0 | 113.2 | G1723 | G1723-C1725 VanDerWaalsContact C-N 3.3Å; G1723-C1725 PolarHBondContact O-N 2.94Å; G1723-C1725 VanDerWaalsContact O-N 3.11Å | ||
| 1726 | P | 61.9 | Low | 68.7 | Low | 58 Ų | 58 | 64.8 Ų | 64.8 | 38% | 0.377 | 40% | 0.399 | S | S | . | . | trans | -71.3 | 152.4 | 170.6 | 30.5 | -34.3 | 0 | 0 | 0 | 112.1 | W1680 N1724 A1728 | W1680-P1726 HydrophobicContact CB-CB 4.14Å; W1680-P1726 HydrophobicContact CB-CG 4.39Å; W1680-P1726 HydrophobicContact CD2-CB 4.05Å; W1680-P1726 HydrophobicContact CG-CB 3.53Å; W1680-P1726 HydrophobicContact CG-CG 4.22Å; N1724-P1726 VanDerWaalsContact C-CD 3.45Å; N1724-P1726 WeakPolarHBondContact O-CD 3.45Å; P1726-A1728 PolarHBondContact O-N 3.46Å | ||
| 1727 | P | 61.9 | Low | 68.3 | Low | 37 Ų | 37 | 66.9 Ų | 66.9 | 24% | 0.24 | 41% | 0.414 | C | S | . | . | trans | -63.3 | 124.2 | 173.1 | 26.2 | -33.6 | 0 | 0 | 0 | 110.6 | F1719 D1729 C1730 F1735 | F1719-P1727 HydrophobicContact CE1-CG 3.85Å; F1719-P1727 HydrophobicContact CZ-CB 4.1Å; F1719-P1727 HydrophobicContact CZ-CG 3.76Å; P1727-D1729 VanDerWaalsContact C-N 3.29Å; P1727-D1729 PolarHBondContact O-N 3.18Å; P1727-C1730 HydrophobicContact CG-CB 4.32Å; P1727-C1730 PolarHBondContact O-N 2.99Å; P1727-F1735 HydrophobicContact CG-CE2 3.74Å; P1727-F1735 HydrophobicContact CG-CZ 3.68Å | ||
| 1728 | A | 57.2 | Low | 68.3 | Low | 99 Ų | 99 | 70.1 Ų | 70.1 | 82% | 0.818 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -31.8 | -156.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P1726 | P1726-A1728 PolarHBondContact O-N 3.46Š|
| 1729 | D | 65.6 | Low | 68.2 | Low | 163 Ų | 163 | 68.4 Ų | 68.4 | 87% | 0.872 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 3.1 | -172 | -61.4 | -70.9 | 0 | 0 | 0 | 114.7 | P1727 | P1727-D1729 VanDerWaalsContact C-N 3.29Å; P1727-D1729 PolarHBondContact O-N 3.18Å |
| 1730 | C | 70.8 | Confident | 68.1 | Low | 52 Ų | 52 | 73.7 Ų | 73.7 | 35% | 0.351 | 44% | 0.437 | S | S | . | . | trans | -118 | 139.6 | -170.3 | -69.8 | 0 | 0 | 0 | 0 | 113.7 | W1680 P1727 F1735 | W1680-C1730 PolarHBondContact NE1-O 2.95Å; P1727-C1730 HydrophobicContact CG-CB 4.32Å; P1727-C1730 PolarHBondContact O-N 2.99Å; C1730-F1735 HydrophobicContact CB-CD2 4.42Å; C1730-F1735 HydrophobicContact CB-CE2 3.49Å; C1730-F1735 VanDerWaalsContact CB-CE2 3.49Å; C1730-F1735 HydrophobicContact CB-CZ 4.09Å | ||
| 1731 | T | 78.8 | Confident | 68.2 | Low | 50 Ų | 50 | 70.6 Ų | 70.6 | 31% | 0.307 | 42% | 0.418 | S | S | . | . | trans | -90.3 | 155 | 171.4 | 65.8 | 0 | 0 | 0 | 0 | 111.5 | Y1733 M1734 | T1731-Y1733 PolarHBondContact O-N 3.11Å; T1731-M1734 WeakPolarHBondContact O-CB 3.49Å; T1731-M1734 PolarHBondContact O-N 3.4Å | ||
| 1732 | P | 77.6 | Confident | 68.8 | Low | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -47.1 | -34.7 | 169.7 | -24 | 23.2 | 0 | 0 | 0 | 114.3 | I1674 T1678 W1680 C1683 M1734 F1735 V1736 | I1674-P1732 HydrophobicContact CD1-CB 3.94Å; I1674-P1732 HydrophobicContact CG2-CB 3.99Å; T1678-P1732 VanDerWaalsContact O-CD 3.27Å; T1678-P1732 WeakPolarHBondContact O-CD 3.48Å; W1680-P1732 HydrophobicContact CD2-CG 3.63Å; W1680-P1732 HydrophobicContact CE3-CB 4.2Å; W1680-P1732 HydrophobicContact CE3-CG 3.62Å; W1680-P1732 HydrophobicContact CG-CG 4.13Å; W1680-P1732 HydrophobicContact CH2-CB 4.1Å; W1680-P1732 HydrophobicContact CH2-CG 4.21Å; W1680-P1732 HydrophobicContact CZ2-CB 4.45Å; W1680-P1732 HydrophobicContact CZ2-CG 4.24Å; W1680-P1732 HydrophobicContact CZ3-CB 3.94Å; W1680-P1732 HydrophobicContact CZ3-CG 3.88Å; C1683-P1732 HydrophobicContact CB-CB 4.17Å; C1683-P1732 HydrophobicContact CB-CG 3.82Å; P1732-M1734 VanDerWaalsContact C-N 3.32Å; P1732-M1734 PolarHBondContact O-N 3.2Å; P1732-F1735 PolarHBondContact O-N 2.96Å; P1732-V1736 WeakPolarHBondContact O-CG2 3.33Å; P1732-V1736 PolarHBondContact O-N 2.82Å |
| 1733 | Y | 82.6 | Confident | 69.9 | Low | 18 Ų | 18 | 73.5 Ų | 73.5 | 7% | 0.071 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.4 | -37.1 | 178.2 | -170.1 | -101.2 | 0 | 0 | 0 | 112.8 | E1641 M1643 I1674 T1731 F1735 V1736 S1737 | E1641-Y1733 HydrophobicContact CB-CE1 4.21Å; E1641-Y1733 HydrophobicContact CB-CE2 4.26Å; E1641-Y1733 WeakPolarHBondContact CB-OH 3.4Å; E1641-Y1733 VanDerWaalsContact CD-OH 3.3Å; E1641-Y1733 WeakPolarHBondContact CG-OH 3.4Å; E1641-Y1733 WeakPolarHBondContact OE1-CE1 3.43Å; E1641-Y1733 PolarHBondContact OE1-OH 3.03Å; M1643-Y1733 HydrophobicContact CB-CE2 4.17Å; M1643-Y1733 HydrophobicContact CG-CE2 3.79Å; M1643-Y1733 HydrophobicContact SD-CE2 3.97Å; I1674-Y1733 HydrophobicContact CG2-CD2 4.38Å; T1731-Y1733 PolarHBondContact O-N 3.11Å; Y1733-F1735 VanDerWaalsContact C-N 3.26Å; Y1733-F1735 PolarHBondContact O-N 3.07Å; Y1733-V1736 PolarHBondContact O-N 3.21Å; Y1733-S1737 VanDerWaalsContact O-CB 3.24Å; Y1733-S1737 WeakPolarHBondContact O-CB 3.38Å; Y1733-S1737 PolarHBondContact O-N 3Å; Y1733-S1737 PolarHBondContact O-OG 2.81Å |
| 1734 | M | 77.5 | Confident | 71.5 | Confident | 112 Ų | 112 | 70.5 Ų | 70.5 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -68.3 | -23.2 | 179.6 | -66.8 | -59.6 | -65.2 | 0 | 0 | 113.5 | T1731 P1732 S1737 | T1731-M1734 WeakPolarHBondContact O-CB 3.49Å; T1731-M1734 PolarHBondContact O-N 3.4Å; P1732-M1734 VanDerWaalsContact C-N 3.32Å; P1732-M1734 PolarHBondContact O-N 3.2Å; M1734-S1737 PolarHBondContact O-OG 3.29Å |
| 1735 | F | 76 | Confident | 73.3 | Confident | 20 Ų | 20 | 63.6 Ų | 63.6 | 9% | 0.088 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -83.7 | -42.4 | 173.7 | -72 | -83 | 0 | 0 | 0 | 111.7 | W1680 I1716 F1719 P1727 C1730 P1732 Y1733 N1741 | W1680-F1735 AromaticContact CH2-CD2 3.71Å; W1680-F1735 HydrophobicContact CH2-CD2 3.71Å; W1680-F1735 HydrophobicContact CH2-CE2 4.22Å; W1680-F1735 HydrophobicContact CH2-CG 4.37Å; W1680-F1735 AromaticContact CZ2-CD2 3.53Å; W1680-F1735 HydrophobicContact CZ2-CD2 3.53Å; W1680-F1735 AromaticContact CZ2-CE2 3.68Å; W1680-F1735 HydrophobicContact CZ2-CE2 3.68Å; I1716-F1735 HydrophobicContact CG2-CB 4.07Å; F1719-F1735 HydrophobicContact CB-CD1 4.01Å; F1719-F1735 HydrophobicContact CB-CE1 4.16Å; F1719-F1735 HydrophobicContact CD1-CD1 4.49Å; F1719-F1735 HydrophobicContact CD1-CE1 4.1Å; F1719-F1735 HydrophobicContact CD1-CZ 4.39Å; F1719-F1735 HydrophobicContact CD2-CD1 4.12Å; F1719-F1735 AromaticContact CD2-CE1 3.4Å; F1719-F1735 HydrophobicContact CD2-CE1 3.4Å; F1719-F1735 HydrophobicContact CD2-CZ 4.11Å; F1719-F1735 HydrophobicContact CE1-CE1 4.4Å; F1719-F1735 HydrophobicContact CE1-CZ 4.31Å; F1719-F1735 AromaticContact CE2-CE1 3.73Å; F1719-F1735 HydrophobicContact CE2-CE1 3.73Å; F1719-F1735 HydrophobicContact CE2-CZ 4.01Å; F1719-F1735 AromaticContact CG-CD1 3.93Å; F1719-F1735 HydrophobicContact CG-CD1 3.93Å; F1719-F1735 AromaticContact CG-CE1 3.59Å; F1719-F1735 HydrophobicContact CG-CE1 3.59Å; F1719-F1735 HydrophobicContact CG-CZ 4.29Å; F1719-F1735 HydrophobicContact CZ-CE1 4.23Å; F1719-F1735 HydrophobicContact CZ-CZ 4.11Å; P1727-F1735 HydrophobicContact CG-CE2 3.74Å; P1727-F1735 HydrophobicContact CG-CZ 3.68Å; C1730-F1735 HydrophobicContact CB-CD2 4.42Å; C1730-F1735 HydrophobicContact CB-CE2 3.49Å; C1730-F1735 VanDerWaalsContact CB-CE2 3.49Å; C1730-F1735 HydrophobicContact CB-CZ 4.09Å; P1732-F1735 PolarHBondContact O-N 2.96Å; Y1733-F1735 VanDerWaalsContact C-N 3.26Å; Y1733-F1735 PolarHBondContact O-N 3.07Å; F1735-N1741 WeakPolarHBondContact O-CB 3.45Å |
| 1736 | V | 77.2 | Confident | 75.2 | Confident | 1 Ų | 1 | 58.3 Ų | 58.3 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -84.9 | -15.3 | -174.5 | -171.6 | 0 | 0 | 0 | 0 | 113.6 | I1645 I1716 P1732 Y1733 K1738 N1741 | I1645-V1736 HydrophobicContact CB-CG1 4.41Å; I1645-V1736 HydrophobicContact CD1-CB 3.92Å; I1645-V1736 HydrophobicContact CD1-CG1 3.42Å; I1645-V1736 VanDerWaalsContact CD1-CG1 3.42Å; I1645-V1736 HydrophobicContact CD1-CG2 3.88Å; I1645-V1736 HydrophobicContact CG1-CG1 3.51Å; I1645-V1736 HydrophobicContact CG2-CG1 4.06Å; I1716-V1736 HydrophobicContact CD1-CG2 4.37Å; I1716-V1736 HydrophobicContact CG2-CG2 3.53Å; P1732-V1736 WeakPolarHBondContact O-CG2 3.33Å; P1732-V1736 PolarHBondContact O-N 2.82Å; Y1733-V1736 PolarHBondContact O-N 3.21Å; V1736-K1738 PolarHBondContact O-N 3.38Å; V1736-N1741 WeakPolarHBondContact CG1-O 3.29Å |
| 1737 | S | 72.9 | Confident | 76.5 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 31% | 0.308 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -26.3 | 171.8 | 62.9 | 0 | 0 | 0 | 0 | 112.9 | Y1733 M1734 | Y1733-S1737 VanDerWaalsContact O-CB 3.24Å; Y1733-S1737 WeakPolarHBondContact O-CB 3.38Å; Y1733-S1737 PolarHBondContact O-N 3Å; Y1733-S1737 PolarHBondContact O-OG 2.81Å; M1734-S1737 PolarHBondContact O-OG 3.29Å |
| 1738 | K | 74.9 | Confident | 78 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 45% | 0.448 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -62.5 | 127.8 | 170.3 | -62.3 | -179.3 | -179.8 | -178.7 | 0 | 109.6 | V1736 K1740 N1741 | V1736-K1738 PolarHBondContact O-N 3.38Å; K1738-K1740 PolarHBondContact O-N 3.26Å; K1738-K1740 VanDerWaalsContact O-N 3.12Å; K1738-N1741 HydrophobicContact CB-CB 4.22Å; K1738-N1741 WeakPolarHBondContact CB-OD1 3.44Å; K1738-N1741 PolarHBondContact O-N 3.38Å |
| 1739 | P | 65.9 | Low | 79.6 | Confident | 105 Ų | 105 | 58.4 Ų | 58.4 | 68% | 0.682 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -62.9 | -26.8 | -171.6 | 23.1 | -33.6 | 0 | 0 | 0 | 114.2 | N1741 | P1739-N1741 VanDerWaalsContact C-N 3.3Å; P1739-N1741 PolarHBondContact O-N 2.79Å |
| 1740 | K | 67.1 | Low | 80.7 | Confident | 186 Ų | 186 | 51 Ų | 51 | 81% | 0.809 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -70 | -22.2 | 175 | -64.6 | -172.4 | 177.4 | -173.6 | 0 | 113.3 | K1738 | K1738-K1740 PolarHBondContact O-N 3.26Å; K1738-K1740 VanDerWaalsContact O-N 3.12Å |
| 1741 | N | 74.5 | Confident | 81.4 | Confident | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | G | 310 helix | trans | -101.8 | 20.3 | -164.6 | -58.2 | 47.5 | 0 | 0 | 0 | 112.9 | I1716 F1735 V1736 K1738 P1739 T1743 | I1716-N1741 HydrophobicContact CG2-CB 4.25Å; I1716-N1741 PolarHBondContact O-ND2 3.19Å; F1735-N1741 WeakPolarHBondContact O-CB 3.45Å; V1736-N1741 WeakPolarHBondContact CG1-O 3.29Å; K1738-N1741 HydrophobicContact CB-CB 4.22Å; K1738-N1741 WeakPolarHBondContact CB-OD1 3.44Å; K1738-N1741 PolarHBondContact O-N 3.38Å; P1739-N1741 VanDerWaalsContact C-N 3.3Å; P1739-N1741 PolarHBondContact O-N 2.79Å; N1741-T1743 PolarHBondContact O-N 3.02Å; N1741-T1743 VanDerWaalsContact O-N 3.17Å |
| 1742 | R | 81.5 | Confident | 81.5 | Confident | 134 Ų | 134 | 53.5 Ų | 53.5 | 51% | 0.506 | 25% | 0.252 | S | S | . | . | trans | -76 | 7.6 | -177.6 | -67.6 | -177.9 | 174.3 | -177.3 | 0.8 | 115.2 | R1646 | R1646-R1742 PolarHBondContact N-O 2.79Š| ||
| 1743 | T | 85 | Confident | 81.9 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 17% | 0.166 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 128 | 173.3 | -55.2 | 0 | 0 | 0 | 0 | 108.8 | R1646 A1648 F1668 N1741 V1745 | R1646-T1743 HydrophobicContact CB-CG2 4.39Å; R1646-T1743 CarbonylContact O-C 3.59Å; R1646-T1743 WeakPolarHBondContact O-CA 3.49Å; A1648-T1743 HydrophobicContact CB-CG2 4.19Å; F1668-T1743 HydrophobicContact CE1-CG2 3.92Å; N1741-T1743 PolarHBondContact O-N 3.02Å; N1741-T1743 VanDerWaalsContact O-N 3.17Å; T1743-V1745 HydrophobicContact CG2-CG2 4.13Å |
| 1744 | V | 88 | Confident | 82.1 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 128.2 | 164.9 | 176.4 | 0 | 0 | 0 | 0 | 107.7 | I1645 R1646 V1647 A1648 V1687 F1714 D1715 I1716 | I1645-V1744 HydrophobicContact CG2-CG2 3.78Å; R1646-V1744 PolarHBondContact O-N 2.95Å; V1647-V1744 WeakPolarHBondContact CA-O 3.12Å; A1648-V1744 PolarHBondContact N-O 2.84Å; V1687-V1744 HydrophobicContact CG1-CG1 4.37Å; V1687-V1744 HydrophobicContact CG2-CG1 4.06Å; F1714-V1744 HydrophobicContact CB-CG1 3.89Å; F1714-V1744 HydrophobicContact CD2-CG1 3.72Å; F1714-V1744 HydrophobicContact CG-CG1 4.04Å; D1715-V1744 WeakPolarHBondContact O-CA 3.46Å; I1716-V1744 HydrophobicContact CD1-CG2 3.98Å; I1716-V1744 HydrophobicContact CG1-CG1 4.46Å; I1716-V1744 HydrophobicContact CG1-CG2 4.05Å |
| 1745 | V | 89.8 | Confident | 82.8 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 7% | 0.067 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115.1 | 179.6 | 176.5 | 0 | 0 | 0 | 0 | 109.1 | A1650 Y1666 F1714 D1715 T1743 | A1650-V1745 HydrophobicContact CB-CG1 3.63Å; Y1666-V1745 HydrophobicContact CD1-CG1 3.81Å; Y1666-V1745 HydrophobicContact CD1-CG2 3.83Å; Y1666-V1745 HydrophobicContact CE1-CB 4.29Å; Y1666-V1745 HydrophobicContact CE1-CG1 3.64Å; Y1666-V1745 HydrophobicContact CE1-CG2 3.64Å; F1714-V1745 CarbonylContact C-O 3.45Å; F1714-V1745 WeakPolarHBondContact CA-O 3.29Å; F1714-V1745 WeakPolarHBondContact CB-O 3.15Å; D1715-V1745 HydrophobicContact CB-CB 4.4Å; D1715-V1745 PolarHBondContact N-O 3.36Å; D1715-V1745 PolarHBondContact O-N 3.15Å; T1743-V1745 HydrophobicContact CG2-CG2 4.13Å |
| 1746 | I | 92 | Very high | 83.5 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 127.5 | 174.6 | -60.3 | 176.7 | 0 | 0 | 0 | 109 | V1647 A1648 V1649 A1650 I1669 V1687 F1691 I1711 F1714 L1748 | V1647-I1746 HydrophobicContact CG1-CD1 3.77Å; V1647-I1746 HydrophobicContact CG1-CG1 4.04Å; A1648-I1746 WeakPolarHBondContact O-CB 3.28Å; A1648-I1746 PolarHBondContact O-N 2.97Å; V1649-I1746 CarbonylContact C-O 3.55Å; V1649-I1746 WeakPolarHBondContact CA-O 3.41Å; V1649-I1746 HydrophobicContact CG2-CB 4.21Å; A1650-I1746 PolarHBondContact N-O 2.94Å; I1669-I1746 HydrophobicContact CD1-CD1 3.75Å; V1687-I1746 HydrophobicContact CG1-CD1 3.62Å; V1687-I1746 HydrophobicContact CG1-CG1 3.7Å; F1691-I1746 HydrophobicContact CB-CD1 4.06Å; F1691-I1746 HydrophobicContact CD2-CD1 4.25Å; F1691-I1746 HydrophobicContact CG-CD1 4.37Å; I1711-I1746 HydrophobicContact CB-CG2 4.49Å; I1711-I1746 HydrophobicContact CD1-CG2 4.41Å; I1711-I1746 HydrophobicContact CG1-CG2 3.96Å; I1711-I1746 HydrophobicContact CG2-CG2 4.07Å; F1714-I1746 HydrophobicContact CB-CG1 4.46Å; I1746-L1748 HydrophobicContact CG2-CD2 3.91Å |
| 1747 | R | 90.3 | Very high | 84.3 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 31% | 0.309 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 131.5 | 162.9 | -71.8 | 174.4 | 130.9 | 75.5 | 5.6 | 109 | A1650 E1664 L1712 Q1713 D1715 | A1650-R1747 HydrophobicContact CB-CG 4.2Å; E1664-R1747 IonicContact OE1-CZ 3.37Å; E1664-R1747 IonicContact OE1-NH1 3.15Å; E1664-R1747 PolarHBondContact OE1-NH1 2.79Å; E1664-R1747 VanDerWaalsContact OE1-NH1 3.15Å; E1664-R1747 IonicContact OE1-NH2 2.69Å; E1664-R1747 PolarHBondContact OE1-NH2 3.14Å; E1664-R1747 IonicContact OE2-NH1 3.27Å; E1664-R1747 PolarHBondContact OE2-NH1 3.36Å; E1664-R1747 IonicContact OE2-NH2 3.98Å; L1712-R1747 WeakPolarHBondContact CB-O 3.26Å; L1712-R1747 PolarHBondContact N-O 3.13Å; Q1713-R1747 HydrophobicContact CG-CB 3.76Å; Q1713-R1747 HydrophobicContact CG-CG 4.22Å; Q1713-R1747 PolarHBondContact O-N 2.79Å; D1715-R1747 WeakPolarHBondContact OD2-CD 3.49Å; D1715-R1747 IonicContact OD2-CZ 3.78Å; D1715-R1747 IonicContact OD2-NE 3.94Å; D1715-R1747 IonicContact OD2-NH1 2.88Å; D1715-R1747 PolarHBondContact OD2-NH1 2.94Å |
| 1748 | L | 92.5 | Very high | 85.1 | Confident | 11 Ų | 11 | 55.8 Ų | 55.8 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 155.1 | 175 | -60.1 | -179.1 | 0 | 0 | 0 | 110.4 | V1649 F1691 S1710 I1711 I1746 G1750 F1761 | V1649-L1748 HydrophobicContact CG1-CD1 3.99Å; V1649-L1748 HydrophobicContact CG1-CG 3.98Å; F1691-L1748 HydrophobicContact CE1-CD2 4.06Å; F1691-L1748 HydrophobicContact CE2-CD1 4.45Å; F1691-L1748 HydrophobicContact CE2-CD2 3.93Å; F1691-L1748 HydrophobicContact CZ-CD1 4.16Å; F1691-L1748 HydrophobicContact CZ-CD2 3.51Å; F1691-L1748 HydrophobicContact CZ-CG 4.49Å; S1710-L1748 CarbonylContact O-C 3.6Å; S1710-L1748 WeakPolarHBondContact O-CA 3.25Å; I1711-L1748 HydrophobicContact CG1-CD2 4.36Å; I1746-L1748 HydrophobicContact CG2-CD2 3.91Å; L1748-G1750 PolarHBondContact O-N 2.94Å; L1748-F1761 HydrophobicContact CD1-CB 3.58Å; L1748-F1761 HydrophobicContact CD1-CD1 4.02Å; L1748-F1761 HydrophobicContact CD1-CD2 3.85Å; L1748-F1761 HydrophobicContact CD1-CG 3.56Å |
| 1749 | R | 91.3 | Very high | 85.9 | Confident | 104 Ų | 104 | 51.3 Ų | 51.3 | 39% | 0.392 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -61.2 | 129.4 | 176.3 | -59 | -172.7 | -168.2 | -173.3 | 9.3 | 110.4 | D1709 S1710 L1712 A1755 D1757 S1758 | D1709-R1749 PolarHBondContact O-NE 2.77Å; D1709-R1749 PolarHBondContact O-NH2 3Å; S1710-R1749 PolarHBondContact O-N 3.17Å; L1712-R1749 HydrophobicContact CB-CG 4.07Å; L1712-R1749 HydrophobicContact CD1-CG 4.47Å; R1749-A1755 HydrophobicContact CB-CB 3.55Å; R1749-D1757 HydrophobicContact CB-CB 4.44Å; R1749-D1757 WeakPolarHBondContact O-CB 3.4Å; R1749-D1757 PolarHBondContact O-N 3.36Å; R1749-S1758 PolarHBondContact O-N 3.07Å |
| 1750 | G | 87.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 46.3 Ų | 46.3 | 6% | 0.062 | 22% | 0.215 | C | C | . | . | trans | -127 | -162.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.2 | L1748 E1752 Q1753 A1755 | L1748-G1750 PolarHBondContact O-N 2.94Å; G1750-E1752 VanDerWaalsContact C-N 3.28Å; G1750-E1752 PolarHBondContact O-N 2.93Å; G1750-Q1753 PolarHBondContact O-N 2.97Å; G1750-Q1753 VanDerWaalsContact O-N 3.17Å; G1750-A1755 CarbonylContact C-O 3.55Å; G1750-A1755 PolarHBondContact O-N 2.59Å | ||
| 1751 | P | 85.8 | Confident | 88.3 | Confident | 11 Ų | 11 | 37.5 Ų | 37.5 | 7% | 0.071 | 18% | 0.177 | C | C | . | . | G | 310 helix | trans | -54.8 | -43.1 | -177.7 | 21.2 | -32.7 | 0 | 0 | 0 | 112.5 | Q1753 N1754 Y1803 T1806 R1807 | P1751-Q1753 VanDerWaalsContact C-N 3.31Å; P1751-Q1753 PolarHBondContact O-N 3.02Å; P1751-N1754 WeakPolarHBondContact O-CA 3.35Å; P1751-N1754 PolarHBondContact O-N 3.47Å; P1751-Y1803 HydrophobicContact CB-CD2 3.88Å; P1751-Y1803 HydrophobicContact CB-CE2 3.76Å; P1751-Y1803 HydrophobicContact CG-CD2 4.2Å; P1751-Y1803 HydrophobicContact CG-CE2 4.36Å; P1751-T1806 HydrophobicContact CB-CG2 4.38Å; P1751-T1806 HydrophobicContact CG-CG2 3.56Å; P1751-R1807 HydrophobicContact CB-CG 3.7Å; P1751-R1807 WeakPolarHBondContact O-CD 3.44Å; P1751-R1807 PolarHBondContact O-NE 2.8Å |
| 1752 | E | 81.4 | Confident | 88.9 | Confident | 144 Ų | 144 | 38.5 Ų | 38.5 | 67% | 0.673 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | -49.4 | -43 | 176.1 | -63.8 | 175.7 | 155.9 | 0 | 0 | 114.2 | G1750 N1754 | G1750-E1752 VanDerWaalsContact C-N 3.28Å; G1750-E1752 PolarHBondContact O-N 2.93Å; E1752-N1754 PolarHBondContact O-N 3.49Å |
| 1753 | Q | 86.7 | Confident | 89.2 | Confident | 66 Ų | 66 | 32.7 Ų | 32.7 | 31% | 0.308 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -92 | 20.9 | -178.5 | -57.6 | 82.2 | 32.5 | 0 | 0 | 112.3 | L1712 G1750 P1751 A1755 | L1712-Q1753 HydrophobicContact CD1-CG 3.73Å; L1712-Q1753 VanDerWaalsContact CD2-NE2 3.32Å; G1750-Q1753 PolarHBondContact O-N 2.97Å; G1750-Q1753 VanDerWaalsContact O-N 3.17Å; P1751-Q1753 VanDerWaalsContact C-N 3.31Å; P1751-Q1753 PolarHBondContact O-N 3.02Å; Q1753-A1755 HydrophobicContact CB-CB 4.49Å; Q1753-A1755 PolarHBondContact O-N 2.8Å |
| 1754 | N | 87.2 | Confident | 89.5 | Confident | 115 Ų | 115 | 31.6 Ų | 31.6 | 62% | 0.615 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 29.1 | -172.1 | -73.2 | -53.2 | 0 | 0 | 0 | 114 | P1751 E1752 R1807 | P1751-N1754 WeakPolarHBondContact O-CA 3.35Å; P1751-N1754 PolarHBondContact O-N 3.47Å; E1752-N1754 PolarHBondContact O-N 3.49Å; N1754-R1807 VanDerWaalsContact CA-NH2 3.31Å; N1754-R1807 PolarHBondContact O-NH2 3.19Å; N1754-R1807 PolarHBondContact OD1-NH1 3.49Å |
| 1755 | A | 90.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 31.7 Ų | 31.7 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | trans | -116.3 | 155.1 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | R1749 G1750 Q1753 Y1803 | R1749-A1755 HydrophobicContact CB-CB 3.55Å; G1750-A1755 CarbonylContact C-O 3.55Å; G1750-A1755 PolarHBondContact O-N 2.59Å; Q1753-A1755 HydrophobicContact CB-CB 4.49Å; Q1753-A1755 PolarHBondContact O-N 2.8Å; A1755-Y1803 WeakPolarHBondContact O-CE2 3.42Å; A1755-Y1803 PolarHBondContact O-OH 3.13Å | ||
| 1756 | F | 91.9 | Very high | 89.5 | Confident | 15 Ų | 15 | 31.9 Ų | 31.9 | 7% | 0.066 | 16% | 0.155 | C | C | . | . | trans | -111.7 | 9.5 | -174.1 | -54.6 | -94.8 | 0 | 0 | 0 | 113.1 | L1759 A1760 K1767 V1770 Q1771 A1774 Y1803 | F1756-L1759 PolarHBondContact O-N 3.12Å; F1756-A1760 PolarHBondContact O-N 2.93Å; F1756-K1767 HydrophobicContact CB-CG 4.22Å; F1756-V1770 HydrophobicContact CB-CG2 4.42Å; F1756-Q1771 HydrophobicContact CB-CB 4.5Å; F1756-Q1771 HydrophobicContact CD1-CB 4.03Å; F1756-Q1771 HydrophobicContact CD1-CG 4.43Å; F1756-Q1771 HydrophobicContact CD2-CB 3.94Å; F1756-Q1771 HydrophobicContact CD2-CG 3.86Å; F1756-Q1771 HydrophobicContact CE1-CB 4.23Å; F1756-Q1771 HydrophobicContact CE1-CG 4.21Å; F1756-Q1771 HydrophobicContact CE2-CB 4.16Å; F1756-Q1771 HydrophobicContact CE2-CG 3.62Å; F1756-Q1771 HydrophobicContact CG-CB 3.89Å; F1756-Q1771 HydrophobicContact CG-CG 4.28Å; F1756-Q1771 HydrophobicContact CZ-CB 4.3Å; F1756-Q1771 HydrophobicContact CZ-CG 3.81Å; F1756-A1774 HydrophobicContact CD1-CB 4.18Å; F1756-A1774 HydrophobicContact CE1-CB 3.72Å; F1756-Y1803 AromaticContact CD1-CE1 3.82Å; F1756-Y1803 HydrophobicContact CD1-CE1 3.82Å; F1756-Y1803 HydrophobicContact CD1-CE2 4.4Å; F1756-Y1803 AromaticContact CD1-CZ 3.51Å; F1756-Y1803 WeakPolarHBondContact CD1-OH 3.28Å; F1756-Y1803 AromaticContact CE1-CE1 3.61Å; F1756-Y1803 HydrophobicContact CE1-CE1 3.61Å; F1756-Y1803 AromaticContact CE1-CZ 3.63Å; F1756-Y1803 WeakPolarHBondContact CE1-OH 3.41Å; F1756-Y1803 WeakPolarHBondContact CG-OH 3.33Å; F1756-Y1803 WeakPolarHBondContact CZ-OH 3.42Å | ||
| 1757 | D | 92.8 | Very high | 89.5 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.6 | -45.2 | -171.8 | -62.8 | -98.1 | 0 | 0 | 0 | 112.7 | L1706 S1710 R1749 L1759 A1760 F1761 K1767 | L1706-D1757 HydrophobicContact CD2-CB 3.78Å; L1706-D1757 WeakPolarHBondContact CD2-O 3.25Å; S1710-D1757 VanDerWaalsContact CB-OD1 3.22Å; S1710-D1757 WeakPolarHBondContact CB-OD1 3.24Å; S1710-D1757 PolarHBondContact OG-OD1 2.85Å; R1749-D1757 HydrophobicContact CB-CB 4.44Å; R1749-D1757 WeakPolarHBondContact O-CB 3.4Å; R1749-D1757 PolarHBondContact O-N 3.36Å; D1757-L1759 PolarHBondContact O-N 3.17Å; D1757-A1760 PolarHBondContact O-N 3.37Å; D1757-F1761 PolarHBondContact O-N 3.42Å; D1757-K1767 WeakPolarHBondContact OD1-CE 3.33Å; D1757-K1767 IonicContact OD1-NZ 2.66Å; D1757-K1767 PolarHBondContact OD1-NZ 3.41Å; D1757-K1767 WeakPolarHBondContact OD2-CE 3.27Å; D1757-K1767 IonicContact OD2-NZ 2.67Å; D1757-K1767 PolarHBondContact OD2-NZ 2.76Å |
| 1758 | S | 91.1 | Very high | 89.6 | Confident | 30 Ų | 30 | 34.6 Ų | 34.6 | 21% | 0.21 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.7 | -46.6 | 174.1 | -172.1 | 0 | 0 | 0 | 0 | 111.9 | R1749 A1760 F1761 E1762 | R1749-S1758 PolarHBondContact O-N 3.07Å; S1758-A1760 PolarHBondContact O-N 3.15Å; S1758-F1761 PolarHBondContact O-N 3.44Å; S1758-E1762 WeakPolarHBondContact O-CB 3.49Å; S1758-E1762 PolarHBondContact O-N 2.94Å |
| 1759 | L | 90.7 | Very high | 89.4 | Confident | 9 Ų | 9 | 36 Ų | 36 | 5% | 0.047 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -63.1 | -38.4 | 179.8 | -177.6 | 62.7 | 0 | 0 | 0 | 112.7 | F1756 D1757 T1763 V1770 L1800 Y1803 | F1756-L1759 PolarHBondContact O-N 3.12Å; D1757-L1759 PolarHBondContact O-N 3.17Å; L1759-T1763 HydrophobicContact CD1-CG2 3.91Å; L1759-T1763 WeakPolarHBondContact O-CB 3.33Å; L1759-T1763 WeakPolarHBondContact O-CG2 3.41Å; L1759-T1763 PolarHBondContact O-N 2.99Å; L1759-T1763 PolarHBondContact O-OG1 3.02Å; L1759-V1770 HydrophobicContact CD2-CB 3.9Å; L1759-V1770 HydrophobicContact CD2-CG2 4.31Å; L1759-V1770 HydrophobicContact CG-CB 4.1Å; L1759-V1770 HydrophobicContact CG-CG1 4.36Å; L1759-V1770 HydrophobicContact CG-CG2 4.3Å; L1759-L1800 HydrophobicContact CD2-CD2 4.18Å; L1759-Y1803 HydrophobicContact CB-CD2 4.36Å; L1759-Y1803 HydrophobicContact CD2-CD1 4.29Å; L1759-Y1803 HydrophobicContact CD2-CD2 4.19Å; L1759-Y1803 HydrophobicContact CD2-CG 4.03Å |
| 1760 | A | 92.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -38.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1706 F1756 D1757 S1758 M1764 K1767 V1770 | L1706-A1760 HydrophobicContact CD2-CB 4.25Å; F1756-A1760 PolarHBondContact O-N 2.93Å; D1757-A1760 PolarHBondContact O-N 3.37Å; S1758-A1760 PolarHBondContact O-N 3.15Å; A1760-M1764 WeakPolarHBondContact O-CA 3.31Å; A1760-M1764 PolarHBondContact O-N 3.29Å; A1760-K1767 HydrophobicContact CB-CB 4.09Å; A1760-V1770 HydrophobicContact CB-CG2 4.1Å |
| 1761 | F | 92 | Very high | 89.5 | Confident | 2 Ų | 2 | 34.9 Ų | 34.9 | 1% | 0.009 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68 | -36.3 | 175.6 | -175.1 | -93.5 | 0 | 0 | 0 | 112.6 | V1649 V1651 I1667 F1691 Y1694 L1706 L1748 D1757 S1758 M1764 R1927 | V1649-F1761 HydrophobicContact CB-CE1 3.87Å; V1649-F1761 HydrophobicContact CB-CZ 3.83Å; V1649-F1761 HydrophobicContact CG1-CD1 4.08Å; V1649-F1761 HydrophobicContact CG1-CE1 3.57Å; V1649-F1761 HydrophobicContact CG1-CZ 3.88Å; V1649-F1761 HydrophobicContact CG2-CE1 4.31Å; V1649-F1761 HydrophobicContact CG2-CE2 4.32Å; V1649-F1761 HydrophobicContact CG2-CZ 3.78Å; V1651-F1761 HydrophobicContact CG2-CD1 4.3Å; V1651-F1761 HydrophobicContact CG2-CE1 4.1Å; I1667-F1761 HydrophobicContact CD1-CE1 4.16Å; F1691-F1761 HydrophobicContact CE2-CD2 4.34Å; F1691-F1761 AromaticContact CE2-CE2 3.95Å; F1691-F1761 HydrophobicContact CE2-CE2 3.95Å; Y1694-F1761 HydrophobicContact CD1-CE2 4.32Å; Y1694-F1761 AromaticContact CE1-CE2 3.62Å; Y1694-F1761 HydrophobicContact CE1-CE2 3.62Å; Y1694-F1761 AromaticContact CE1-CZ 3.95Å; Y1694-F1761 HydrophobicContact CE1-CZ 3.95Å; L1706-F1761 HydrophobicContact CD1-CB 3.85Å; L1706-F1761 HydrophobicContact CD1-CD2 4.02Å; L1706-F1761 HydrophobicContact CD1-CG 4.46Å; L1748-F1761 HydrophobicContact CD1-CB 3.58Å; L1748-F1761 HydrophobicContact CD1-CD1 4.02Å; L1748-F1761 HydrophobicContact CD1-CD2 3.85Å; L1748-F1761 HydrophobicContact CD1-CG 3.56Å; D1757-F1761 PolarHBondContact O-N 3.42Å; S1758-F1761 PolarHBondContact O-N 3.44Å; F1761-M1764 VanDerWaalsContact O-CE 3.31Å; F1761-M1764 WeakPolarHBondContact O-CE 3.35Å; F1761-R1927 PolarHBondContact O-NH1 2.89Å; F1761-R1927 VanDerWaalsContact O-NH1 3.15Å |
| 1762 | E | 87.1 | Confident | 89.6 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 12% | 0.117 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.6 | -49 | 179.7 | -160.9 | -104.7 | 127.4 | 0 | 0 | 111.6 | R1097 V1651 K1654 S1758 S1799 R1927 | R1097-E1762 IonicContact CZ-OE1 3.11Å; R1097-E1762 IonicContact NH1-OE1 2.8Å; R1097-E1762 IonicContact NH2-OE1 2.93Å; R1097-E1762 PolarHBondContact NH2-OE1 3.25Å; V1651-E1762 HydrophobicContact CG1-CG 3.79Å; K1654-E1762 WeakPolarHBondContact CE-OE1 3.43Å; K1654-E1762 IonicContact NZ-OE1 3.87Å; S1758-E1762 WeakPolarHBondContact O-CB 3.49Å; S1758-E1762 PolarHBondContact O-N 2.94Å; E1762-S1799 PolarHBondContact OE1-OG 3.41Å; E1762-S1799 VanDerWaalsContact OE2-CB 3.22Å; E1762-S1799 WeakPolarHBondContact OE2-CB 3.45Å; E1762-S1799 PolarHBondContact OE2-OG 3.01Å; E1762-R1927 PolarHBondContact O-NH1 2.9Å |
| 1763 | T | 87.8 | Confident | 90 | Very high | 12 Ų | 12 | 37 Ų | 37 | 7% | 0.074 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -82.5 | -17.7 | -174.8 | 60 | 0 | 0 | 0 | 0 | 115.6 | L1759 I1765 L1796 | L1759-T1763 HydrophobicContact CD1-CG2 3.91Å; L1759-T1763 WeakPolarHBondContact O-CB 3.33Å; L1759-T1763 WeakPolarHBondContact O-CG2 3.41Å; L1759-T1763 PolarHBondContact O-N 2.99Å; L1759-T1763 PolarHBondContact O-OG1 3.02Å; T1763-I1765 PolarHBondContact O-N 2.82Å; T1763-I1765 PolarHBondContact OG1-N 3.36Å; T1763-L1796 HydrophobicContact CG2-CD1 4.28Å |
| 1764 | M | 90.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 17% | 0.173 | C | C | . | . | trans | 59.2 | 21.8 | -169.9 | -70.1 | -77.1 | 145.7 | 0 | 0 | 114.6 | V1698 L1704 A1760 F1761 K1923 V1924 | V1698-M1764 HydrophobicContact CG1-CE 4.07Å; V1698-M1764 HydrophobicContact CG1-SD 3.76Å; L1704-M1764 HydrophobicContact CD1-CE 4.43Å; L1704-M1764 HydrophobicContact CD1-SD 3.91Å; L1704-M1764 HydrophobicContact CD2-SD 4.46Å; A1760-M1764 WeakPolarHBondContact O-CA 3.31Å; A1760-M1764 PolarHBondContact O-N 3.29Å; F1761-M1764 VanDerWaalsContact O-CE 3.31Å; F1761-M1764 WeakPolarHBondContact O-CE 3.35Å; M1764-K1923 HydrophobicContact CB-CB 4.34Å; M1764-K1923 HydrophobicContact CG-CB 4.45Å; M1764-K1923 HydrophobicContact SD-CB 3.94Å; M1764-V1924 HydrophobicContact CB-CG2 4.19Å; M1764-V1924 HydrophobicContact CG-CG2 4.23Å | ||
| 1765 | I | 87.8 | Confident | 90.2 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -99.3 | 139.8 | 174 | -64 | 177.1 | 0 | 0 | 0 | 108.9 | T1763 K1767 V1769 V1770 L1796 M1911 | T1763-I1765 PolarHBondContact O-N 2.82Å; T1763-I1765 PolarHBondContact OG1-N 3.36Å; I1765-K1767 PolarHBondContact O-N 3.12Å; I1765-V1769 HydrophobicContact CG2-CB 3.78Å; I1765-V1769 HydrophobicContact CG2-CG1 3.68Å; I1765-V1770 HydrophobicContact CB-CG1 3.73Å; I1765-V1770 HydrophobicContact CG2-CG1 3.67Å; I1765-L1796 HydrophobicContact CD1-CD1 4.06Å; I1765-L1796 HydrophobicContact CD1-CD2 4.27Å; I1765-M1911 HydrophobicContact CB-CE 4.34Å; I1765-M1911 HydrophobicContact CD1-CE 4.34Å; I1765-M1911 HydrophobicContact CG1-CE 3.86Å; I1765-M1911 HydrophobicContact CG2-CE 3.95Å |
| 1766 | P | 90.3 | Very high | 90 | Very high | 15 Ų | 15 | 31 Ų | 31 | 10% | 0.097 | 16% | 0.157 | C | C | . | . | trans | -50.7 | 137.3 | 177.8 | -31.4 | 37.6 | 0 | 0 | 0 | 114.3 | N1703 S1768 V1769 V1770 | N1703-P1766 WeakPolarHBondContact O-CB 3.47Å; P1766-S1768 PolarHBondContact O-N 2.92Å; P1766-S1768 VanDerWaalsContact O-N 3.12Å; P1766-V1769 HydrophobicContact CB-CG2 4.26Å; P1766-V1769 WeakPolarHBondContact O-CA 3.25Å; P1766-V1769 WeakPolarHBondContact O-CB 3.38Å; P1766-V1769 PolarHBondContact O-N 3.39Å; P1766-V1770 PolarHBondContact O-N 3.03Å | ||
| 1767 | K | 93 | Very high | 89.9 | Confident | 55 Ų | 55 | 30.5 Ų | 30.5 | 24% | 0.239 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -49.2 | -41.1 | -177.5 | -173.9 | 177.5 | -179 | 174.5 | 0 | 113.5 | L1704 G1705 F1756 D1757 A1760 I1765 V1769 V1770 Q1771 | L1704-K1767 WeakPolarHBondContact O-CB 3.42Å; L1704-K1767 PolarHBondContact O-N 2.84Å; G1705-K1767 WeakPolarHBondContact O-CD 3.44Å; F1756-K1767 HydrophobicContact CB-CG 4.22Å; D1757-K1767 WeakPolarHBondContact OD1-CE 3.33Å; D1757-K1767 IonicContact OD1-NZ 2.66Å; D1757-K1767 PolarHBondContact OD1-NZ 3.41Å; D1757-K1767 WeakPolarHBondContact OD2-CE 3.27Å; D1757-K1767 IonicContact OD2-NZ 2.67Å; D1757-K1767 PolarHBondContact OD2-NZ 2.76Å; A1760-K1767 HydrophobicContact CB-CB 4.09Å; I1765-K1767 PolarHBondContact O-N 3.12Å; K1767-V1769 VanDerWaalsContact C-N 3.31Å; K1767-V1769 PolarHBondContact O-N 2.89Å; K1767-V1770 WeakPolarHBondContact O-CG2 3.38Å; K1767-Q1771 WeakPolarHBondContact O-CB 3.4Å; K1767-Q1771 PolarHBondContact O-N 2.75Å |
| 1768 | S | 90.5 | Very high | 89.7 | Confident | 84 Ų | 84 | 32.4 Ų | 32.4 | 59% | 0.587 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -65.3 | -28.9 | 177.7 | 53.1 | 0 | 0 | 0 | 0 | 114.2 | P1766 R1772 | P1766-S1768 PolarHBondContact O-N 2.92Å; P1766-S1768 VanDerWaalsContact O-N 3.12Å; S1768-R1772 PolarHBondContact O-N 2.79Å |
| 1769 | V | 88.5 | Confident | 89.5 | Confident | 42 Ų | 42 | 36.4 Ų | 36.4 | 26% | 0.255 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -82.9 | -47.2 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 110.4 | I1765 P1766 K1767 Q1771 R1772 Y1773 | I1765-V1769 HydrophobicContact CG2-CB 3.78Å; I1765-V1769 HydrophobicContact CG2-CG1 3.68Å; P1766-V1769 HydrophobicContact CB-CG2 4.26Å; P1766-V1769 WeakPolarHBondContact O-CA 3.25Å; P1766-V1769 WeakPolarHBondContact O-CB 3.38Å; P1766-V1769 PolarHBondContact O-N 3.39Å; K1767-V1769 VanDerWaalsContact C-N 3.31Å; K1767-V1769 PolarHBondContact O-N 2.89Å; V1769-Q1771 VanDerWaalsContact C-N 3.31Å; V1769-Q1771 PolarHBondContact O-N 3.47Å; V1769-R1772 WeakPolarHBondContact O-CB 3.44Å; V1769-R1772 PolarHBondContact O-N 3.46Å; V1769-R1772 VanDerWaalsContact O-N 3.15Å; V1769-Y1773 HydrophobicContact CG1-CD2 4.16Å; V1769-Y1773 HydrophobicContact CG1-CE1 4.29Å; V1769-Y1773 HydrophobicContact CG1-CE2 3.46Å; V1769-Y1773 VanDerWaalsContact CG1-CE2 3.46Å; V1769-Y1773 PolarHBondContact O-N 2.85Å |
| 1770 | V | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.3 | -36.3 | 174.1 | -65.6 | 0 | 0 | 0 | 0 | 112.1 | F1756 L1759 A1760 I1765 P1766 K1767 R1772 Y1773 A1774 | F1756-V1770 HydrophobicContact CB-CG2 4.42Å; L1759-V1770 HydrophobicContact CD2-CB 3.9Å; L1759-V1770 HydrophobicContact CD2-CG2 4.31Å; L1759-V1770 HydrophobicContact CG-CB 4.1Å; L1759-V1770 HydrophobicContact CG-CG1 4.36Å; L1759-V1770 HydrophobicContact CG-CG2 4.3Å; A1760-V1770 HydrophobicContact CB-CG2 4.1Å; I1765-V1770 HydrophobicContact CB-CG1 3.73Å; I1765-V1770 HydrophobicContact CG2-CG1 3.67Å; P1766-V1770 PolarHBondContact O-N 3.03Å; K1767-V1770 WeakPolarHBondContact O-CG2 3.38Å; V1770-R1772 VanDerWaalsContact C-N 3.35Å; V1770-R1772 PolarHBondContact O-N 3.14Å; V1770-Y1773 PolarHBondContact O-N 2.81Å; V1770-A1774 WeakPolarHBondContact O-CB 3.47Å; V1770-A1774 PolarHBondContact O-N 3.27Å |
| 1771 | Q | 91.8 | Very high | 88.8 | Confident | 85 Ų | 85 | 43.6 Ų | 43.6 | 40% | 0.397 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -57.4 | -46.7 | 170.9 | 175.1 | 170 | 3.4 | 0 | 0 | 111.4 | F1756 K1767 V1769 Y1773 A1774 T1775 | F1756-Q1771 HydrophobicContact CB-CB 4.5Å; F1756-Q1771 HydrophobicContact CD1-CB 4.03Å; F1756-Q1771 HydrophobicContact CD1-CG 4.43Å; F1756-Q1771 HydrophobicContact CD2-CB 3.94Å; F1756-Q1771 HydrophobicContact CD2-CG 3.86Å; F1756-Q1771 HydrophobicContact CE1-CB 4.23Å; F1756-Q1771 HydrophobicContact CE1-CG 4.21Å; F1756-Q1771 HydrophobicContact CE2-CB 4.16Å; F1756-Q1771 HydrophobicContact CE2-CG 3.62Å; F1756-Q1771 HydrophobicContact CG-CB 3.89Å; F1756-Q1771 HydrophobicContact CG-CG 4.28Å; F1756-Q1771 HydrophobicContact CZ-CB 4.3Å; F1756-Q1771 HydrophobicContact CZ-CG 3.81Å; K1767-Q1771 WeakPolarHBondContact O-CB 3.4Å; K1767-Q1771 PolarHBondContact O-N 2.75Å; V1769-Q1771 VanDerWaalsContact C-N 3.31Å; V1769-Q1771 PolarHBondContact O-N 3.47Å; Q1771-Y1773 PolarHBondContact O-N 3.34Å; Q1771-A1774 PolarHBondContact O-N 2.96Å; Q1771-T1775 WeakPolarHBondContact O-CB 3.33Å; Q1771-T1775 PolarHBondContact O-N 3.06Å; Q1771-T1775 PolarHBondContact O-OG1 3.45Å |
| 1772 | R | 89.2 | Confident | 88.5 | Confident | 179 Ų | 179 | 44.6 Ų | 44.6 | 68% | 0.675 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -62.1 | -42 | 178.5 | -166.6 | 179.9 | -169.9 | -173.9 | 3.5 | 112.4 | S1768 V1769 V1770 I1776 | S1768-R1772 PolarHBondContact O-N 2.79Å; V1769-R1772 WeakPolarHBondContact O-CB 3.44Å; V1769-R1772 PolarHBondContact O-N 3.46Å; V1769-R1772 VanDerWaalsContact O-N 3.15Å; V1770-R1772 VanDerWaalsContact C-N 3.35Å; V1770-R1772 PolarHBondContact O-N 3.14Å; R1772-I1776 HydrophobicContact CG-CD1 4.12Å; R1772-I1776 WeakPolarHBondContact O-CB 3.49Å; R1772-I1776 WeakPolarHBondContact O-CD1 3.36Å; R1772-I1776 VanDerWaalsContact O-CG1 3.25Å; R1772-I1776 WeakPolarHBondContact O-CG1 3.44Å; R1772-I1776 PolarHBondContact O-N 2.85Å; R1772-I1776 VanDerWaalsContact O-N 3.08Å |
| 1773 | Y | 88.2 | Confident | 88.5 | Confident | 20 Ų | 20 | 43.6 Ų | 43.6 | 8% | 0.078 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -68.1 | -44.1 | 178.9 | -60.7 | -25 | 0 | 0 | 0 | 112.3 | V1769 V1770 Q1771 I1776 L1777 L1796 V1908 L1909 S1910 M1911 | V1769-Y1773 HydrophobicContact CG1-CD2 4.16Å; V1769-Y1773 HydrophobicContact CG1-CE1 4.29Å; V1769-Y1773 HydrophobicContact CG1-CE2 3.46Å; V1769-Y1773 VanDerWaalsContact CG1-CE2 3.46Å; V1769-Y1773 PolarHBondContact O-N 2.85Å; V1770-Y1773 PolarHBondContact O-N 2.81Å; Q1771-Y1773 PolarHBondContact O-N 3.34Å; Y1773-I1776 PolarHBondContact O-N 3.2Å; Y1773-L1777 PolarHBondContact O-N 3.49Å; Y1773-L1796 HydrophobicContact CD2-CD2 4.35Å; Y1773-L1796 HydrophobicContact CE2-CD2 4.36Å; Y1773-V1908 HydrophobicContact CD1-CG1 3.41Å; Y1773-V1908 VanDerWaalsContact CD1-CG1 3.41Å; Y1773-V1908 HydrophobicContact CE1-CG1 3.44Å; Y1773-V1908 VanDerWaalsContact CE1-CG1 3.44Å; Y1773-V1908 HydrophobicContact CG-CG1 4.31Å; Y1773-L1909 PolarHBondContact OH-O 3.27Å; Y1773-S1910 WeakPolarHBondContact OH-CA 3.27Å; Y1773-M1911 PolarHBondContact OH-N 3.46Å |
| 1774 | A | 88.9 | Confident | 88.4 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 2% | 0.017 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -69.4 | -38 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F1756 V1770 Q1771 L1777 L1778 L1800 Y1803 | F1756-A1774 HydrophobicContact CD1-CB 4.18Å; F1756-A1774 HydrophobicContact CE1-CB 3.72Å; V1770-A1774 WeakPolarHBondContact O-CB 3.47Å; V1770-A1774 PolarHBondContact O-N 3.27Å; Q1771-A1774 PolarHBondContact O-N 2.96Å; A1774-L1777 PolarHBondContact O-N 3.49Å; A1774-L1778 VanDerWaalsContact O-CG 3.31Å; A1774-L1778 WeakPolarHBondContact O-CG 3.22Å; A1774-L1778 PolarHBondContact O-N 2.73Å; A1774-L1800 HydrophobicContact CB-CD2 3.86Å; A1774-Y1803 HydrophobicContact CB-CD1 3.94Å; A1774-Y1803 HydrophobicContact CB-CE1 3.8Å |
| 1775 | T | 89.5 | Confident | 88.1 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 30% | 0.301 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.9 | -45.8 | 171.7 | -70.3 | 0 | 0 | 0 | 0 | 111.1 | Q1771 L1777 L1778 D1779 | Q1771-T1775 WeakPolarHBondContact O-CB 3.33Å; Q1771-T1775 PolarHBondContact O-N 3.06Å; Q1771-T1775 PolarHBondContact O-OG1 3.45Å; T1775-L1777 VanDerWaalsContact C-N 3.28Å; T1775-L1777 PolarHBondContact O-N 2.88Å; T1775-L1778 PolarHBondContact O-N 2.87Å; T1775-L1778 VanDerWaalsContact O-N 3.16Å; T1775-D1779 VanDerWaalsContact CG2-OD2 3.26Å; T1775-D1779 WeakPolarHBondContact CG2-OD2 3.2Å; T1775-D1779 WeakPolarHBondContact O-CB 3.5Å; T1775-D1779 PolarHBondContact O-N 3.44Å |
| 1776 | I | 88 | Confident | 87.4 | Confident | 18 Ų | 18 | 43.1 Ų | 43.1 | 9% | 0.092 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.7 | -39.2 | 175.9 | -74 | 167.1 | 0 | 0 | 0 | 112.1 | R1772 Y1773 Q1780 V1783 R1906 V1908 | R1772-I1776 HydrophobicContact CG-CD1 4.12Å; R1772-I1776 WeakPolarHBondContact O-CB 3.49Å; R1772-I1776 WeakPolarHBondContact O-CD1 3.36Å; R1772-I1776 VanDerWaalsContact O-CG1 3.25Å; R1772-I1776 WeakPolarHBondContact O-CG1 3.44Å; R1772-I1776 PolarHBondContact O-N 2.85Å; R1772-I1776 VanDerWaalsContact O-N 3.08Å; Y1773-I1776 PolarHBondContact O-N 3.2Å; I1776-Q1780 PolarHBondContact O-N 3.1Å; I1776-V1783 HydrophobicContact CG2-CG1 4.39Å; I1776-V1783 HydrophobicContact CG2-CG2 3.86Å; I1776-R1906 HydrophobicContact CG2-CB 4.01Å; I1776-R1906 HydrophobicContact CG2-CG 4.4Å; I1776-V1908 HydrophobicContact CD1-CG2 4.12Å; I1776-V1908 HydrophobicContact CG2-CG2 3.77Å |
| 1777 | L | 89.4 | Confident | 86.4 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.6 | -179.2 | 61 | 0 | 0 | 0 | 112.5 | Y1773 A1774 T1775 R1781 V1783 L1800 C1804 Y1882 I1884 | Y1773-L1777 PolarHBondContact O-N 3.49Å; A1774-L1777 PolarHBondContact O-N 3.49Å; T1775-L1777 VanDerWaalsContact C-N 3.28Å; T1775-L1777 PolarHBondContact O-N 2.88Å; L1777-R1781 VanDerWaalsContact O-CA 3.27Å; L1777-R1781 WeakPolarHBondContact O-CA 3.11Å; L1777-R1781 PolarHBondContact O-N 2.97Å; L1777-V1783 HydrophobicContact CB-CG2 4.17Å; L1777-V1783 HydrophobicContact CD1-CB 4.42Å; L1777-V1783 HydrophobicContact CD1-CG2 3.89Å; L1777-L1800 HydrophobicContact CD2-CB 4.27Å; L1777-C1804 HydrophobicContact CD2-CB 3.96Å; L1777-Y1882 HydrophobicContact CD1-CD1 4.13Å; L1777-Y1882 HydrophobicContact CG-CD1 4.23Å; L1777-Y1882 WeakPolarHBondContact O-CD1 3.49Å; L1777-Y1882 WeakPolarHBondContact O-CE1 3.4Å; L1777-I1884 HydrophobicContact CD1-CD1 4.19Å; L1777-I1884 HydrophobicContact CD1-CG1 3.8Å; L1777-I1884 HydrophobicContact CD2-CD1 3.79Å; L1777-I1884 HydrophobicContact CD2-CG1 4.35Å |
| 1778 | L | 88 | Confident | 84.9 | Confident | 45 Ų | 45 | 40.9 Ų | 40.9 | 24% | 0.236 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 178.8 | -70.3 | 168.6 | 0 | 0 | 0 | 112.2 | A1774 T1775 R1807 V1808 | A1774-L1778 VanDerWaalsContact O-CG 3.31Å; A1774-L1778 WeakPolarHBondContact O-CG 3.22Å; A1774-L1778 PolarHBondContact O-N 2.73Å; T1775-L1778 PolarHBondContact O-N 2.87Å; T1775-L1778 VanDerWaalsContact O-N 3.16Å; L1778-R1807 HydrophobicContact CD2-CB 4.49Å; L1778-V1808 HydrophobicContact CD2-CG2 4.03Å |
| 1779 | D | 87 | Confident | 83.5 | Confident | 113 Ų | 113 | 37 Ų | 37 | 60% | 0.604 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -67.3 | -40 | -176 | -67.1 | -9.4 | 0 | 0 | 0 | 112.8 | T1775 | T1775-D1779 VanDerWaalsContact CG2-OD2 3.26Å; T1775-D1779 WeakPolarHBondContact CG2-OD2 3.2Å; T1775-D1779 WeakPolarHBondContact O-CB 3.5Å; T1775-D1779 PolarHBondContact O-N 3.44Å |
| 1780 | Q | 81.6 | Confident | 82.1 | Confident | 62 Ų | 62 | 36.5 Ų | 36.5 | 29% | 0.29 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -116.6 | -8.1 | -168.4 | -65.9 | -178.3 | -91.3 | 0 | 0 | 114.6 | I1776 R1782 R1906 | I1776-Q1780 PolarHBondContact O-N 3.1Å; Q1780-R1782 PolarHBondContact O-N 3.29Å; Q1780-R1906 VanDerWaalsContact OE1-CB 3.26Å |
| 1781 | R | 87.2 | Confident | 81 | Confident | 99 Ų | 99 | 37.4 Ų | 37.4 | 37% | 0.374 | 18% | 0.176 | S | C | . | . | S | Bend | trans | 60.4 | -26.5 | -174.8 | -55.4 | -178.2 | 175.4 | -172.5 | -4.9 | 116.4 | L1777 S1879 N1880 Y1882 V1883 | L1777-R1781 VanDerWaalsContact O-CA 3.27Å; L1777-R1781 WeakPolarHBondContact O-CA 3.11Å; L1777-R1781 PolarHBondContact O-N 2.97Å; R1781-S1879 PolarHBondContact NH1-O 2.78Å; R1781-S1879 VanDerWaalsContact NH1-O 3.08Å; R1781-N1880 PolarHBondContact NH1-OD1 3.45Å; R1781-Y1882 HydrophobicContact CB-CD1 4.01Å; R1781-Y1882 HydrophobicContact CB-CE1 4.22Å; R1781-Y1882 HydrophobicContact CG-CD1 4.08Å; R1781-Y1882 HydrophobicContact CG-CE1 3.78Å; R1781-Y1882 CarbonylContact O-C 3.54Å; R1781-Y1882 VanDerWaalsContact O-CA 3.29Å; R1781-Y1882 WeakPolarHBondContact O-CA 3.26Å; R1781-V1883 PolarHBondContact O-N 3.16Å |
| 1782 | R | 85.5 | Confident | 79.9 | Confident | 23 Ų | 23 | 35.9 Ų | 35.9 | 9% | 0.087 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 110.6 | -167.9 | -67.9 | 176 | 173.6 | -137.8 | -14.7 | 110.7 | Q1780 L1872 I1878 V1883 E1904 F1905 R1906 | Q1780-R1782 PolarHBondContact O-N 3.29Å; R1782-L1872 PolarHBondContact NH1-O 3.25Å; R1782-L1872 PolarHBondContact NH2-O 2.89Å; R1782-I1878 PolarHBondContact NH2-O 3.27Å; R1782-V1883 WeakPolarHBondContact CA-O 3.14Å; R1782-V1883 HydrophobicContact CG-CB 4.3Å; R1782-V1883 HydrophobicContact CG-CG2 4.41Å; R1782-E1904 WeakPolarHBondContact CB-O 3.36Å; R1782-E1904 IonicContact CZ-OE2 2.77Å; R1782-E1904 IonicContact NE-OE2 3.18Å; R1782-E1904 IonicContact NH1-OE2 3.66Å; R1782-E1904 PolarHBondContact NH1-OE2 3.01Å; R1782-F1905 HydrophobicContact CB-CD1 3.81Å; R1782-F1905 HydrophobicContact CB-CE1 3.87Å; R1782-F1905 HydrophobicContact CB-CG 4.17Å; R1782-F1905 HydrophobicContact CB-CZ 4.27Å; R1782-F1905 HydrophobicContact CG-CE1 4.29Å; R1782-F1905 HydrophobicContact CG-CZ 4.31Å; R1782-R1906 PolarHBondContact O-N 3.43Å |
| 1783 | V | 87.3 | Confident | 79.5 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 2% | 0.024 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 136.7 | -169.9 | -177.7 | 0 | 0 | 0 | 0 | 111.5 | I1776 L1777 L1785 V1883 I1884 V1885 V1908 | I1776-V1783 HydrophobicContact CG2-CG1 4.39Å; I1776-V1783 HydrophobicContact CG2-CG2 3.86Å; L1777-V1783 HydrophobicContact CB-CG2 4.17Å; L1777-V1783 HydrophobicContact CD1-CB 4.42Å; L1777-V1783 HydrophobicContact CD1-CG2 3.89Å; V1783-L1785 HydrophobicContact CG1-CD2 4.06Å; V1783-L1785 HydrophobicContact CG1-CG 4.34Å; V1783-V1883 PolarHBondContact N-O 3.32Å; V1783-I1884 WeakPolarHBondContact O-CA 3.46Å; V1783-V1885 PolarHBondContact O-N 3.16Å; V1783-V1908 HydrophobicContact CG1-CB 4.12Å; V1783-V1908 HydrophobicContact CG1-CG2 3.67Å |
| 1784 | I | 84.3 | Confident | 79.1 | Confident | 5 Ų | 5 | 29.1 Ų | 29.1 | 3% | 0.026 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 109.5 | 170.8 | -52.7 | 172.3 | 0 | 0 | 0 | 108.4 | L1869 V1885 A1887 F1905 R1906 Y1907 V1908 | I1784-L1869 HydrophobicContact CD1-CD1 3.78Å; I1784-L1869 HydrophobicContact CD1-CD2 4Å; I1784-L1869 HydrophobicContact CG1-CD2 4.48Å; I1784-V1885 CarbonylContact C-O 3.2Å; I1784-V1885 WeakPolarHBondContact CA-O 3.31Å; I1784-V1885 HydrophobicContact CB-CB 4.49Å; I1784-V1885 HydrophobicContact CG1-CB 4.18Å; I1784-V1885 HydrophobicContact CG1-CG2 4.39Å; I1784-V1885 HydrophobicContact CG2-CB 4.35Å; I1784-A1887 HydrophobicContact CG2-CB 4.1Å; I1784-F1905 HydrophobicContact CD1-CB 4.02Å; I1784-F1905 HydrophobicContact CD1-CD1 4.5Å; I1784-F1905 HydrophobicContact CG1-CB 4.25Å; I1784-F1905 HydrophobicContact CG1-CD1 4.13Å; I1784-R1906 PolarHBondContact N-O 3.12Å; I1784-Y1907 HydrophobicContact CB-CD2 4.01Å; I1784-Y1907 HydrophobicContact CB-CE2 4.18Å; I1784-Y1907 HydrophobicContact CD1-CD2 4.08Å; I1784-Y1907 HydrophobicContact CD1-CE2 4.44Å; I1784-Y1907 HydrophobicContact CG2-CD2 4.01Å; I1784-Y1907 HydrophobicContact CG2-CE2 3.64Å; I1784-V1908 PolarHBondContact O-N 2.82Å |
| 1785 | L | 83.8 | Confident | 78.8 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 121.5 | 172.5 | -63.8 | 178 | 0 | 0 | 0 | 109.4 | V1783 A1797 L1800 I1884 V1885 A1887 V1908 | V1783-L1785 HydrophobicContact CG1-CD2 4.06Å; V1783-L1785 HydrophobicContact CG1-CG 4.34Å; L1785-A1797 HydrophobicContact CD1-CB 3.96Å; L1785-L1800 HydrophobicContact CD1-CD1 4.1Å; L1785-I1884 HydrophobicContact CD1-CG2 3.56Å; L1785-I1884 HydrophobicContact CG-CG2 3.99Å; L1785-V1885 PolarHBondContact N-O 2.97Å; L1785-A1887 PolarHBondContact O-N 3.4Å; L1785-V1908 HydrophobicContact CD2-CB 4.11Å; L1785-V1908 HydrophobicContact CD2-CG1 3.94Å |
| 1786 | S | 74.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 150.7 | 171.2 | -167.7 | 0 | 0 | 0 | 0 | 111.5 | A1887 Y1907 V1908 L1909 S1910 | S1786-A1887 VanDerWaalsContact CB-O 3.3Å; S1786-A1887 WeakPolarHBondContact CB-O 3.38Å; S1786-A1887 PolarHBondContact OG-O 2.53Å; S1786-Y1907 WeakPolarHBondContact CB-OH 3.49Å; S1786-Y1907 PolarHBondContact OG-OH 2.78Å; S1786-V1908 PolarHBondContact N-O 2.97Å; S1786-L1909 WeakPolarHBondContact O-CA 3.48Å; S1786-S1910 WeakPolarHBondContact O-CB 3.45Å; S1786-S1910 PolarHBondContact O-N 3.02Å |
| 1787 | C | 69.5 | Low | 78.7 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 3% | 0.027 | 14% | 0.138 | C | C | . | . | trans | -126.8 | 138.9 | 179.3 | -172.5 | 0 | 0 | 0 | 0 | 109.8 | V1789 L1793 S1910 | C1787-V1789 VanDerWaalsContact CB-O 3.25Å; C1787-V1789 WeakPolarHBondContact CB-O 3.49Å; C1787-V1789 PolarHBondContact O-N 3.39Å; C1787-V1789 PolarHBondContact SG-N 2.9Å; C1787-V1789 VanDerWaalsContact SG-N 3.41Å; C1787-V1789 PolarHBondContact SG-O 2.82Å; C1787-V1789 VanDerWaalsContact SG-O 3.33Å; C1787-L1793 HydrophobicContact CB-CD1 3.89Å; C1787-L1793 HydrophobicContact CB-CD2 4.1Å; C1787-L1793 HydrophobicContact CB-CG 4.17Å; C1787-S1910 PolarHBondContact SG-O 2.77Å | ||
| 1788 | P | 61.1 | Low | 78.7 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -63.7 | 2.4 | 167.9 | -23.9 | 36.2 | 0 | 0 | 0 | 114.9 | R1889 L1909 Q1913 | P1788-R1889 PolarHBondContact O-NE 3.31Å; P1788-R1889 PolarHBondContact O-NH2 2.85Å; P1788-L1909 HydrophobicContact CG-CD2 4.5Å; P1788-Q1913 HydrophobicContact CB-CG 4.24Å; P1788-Q1913 HydrophobicContact CG-CG 4.16Å |
| 1789 | V | 62 | Low | 78.7 | Confident | 2 Ų | 2 | 27.1 Ų | 27.1 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -134.1 | 140 | 179.4 | -172.2 | 0 | 0 | 0 | 0 | 107.7 | C1787 M1791 W1955 Y1959 P1974 | C1787-V1789 VanDerWaalsContact CB-O 3.25Å; C1787-V1789 WeakPolarHBondContact CB-O 3.49Å; C1787-V1789 PolarHBondContact O-N 3.39Å; C1787-V1789 PolarHBondContact SG-N 2.9Å; C1787-V1789 VanDerWaalsContact SG-N 3.41Å; C1787-V1789 PolarHBondContact SG-O 2.82Å; C1787-V1789 VanDerWaalsContact SG-O 3.33Å; V1789-M1791 VanDerWaalsContact C-N 3.25Å; V1789-M1791 HydrophobicContact CB-CG 4.18Å; V1789-M1791 HydrophobicContact CG1-CG 4.12Å; V1789-M1791 PolarHBondContact O-N 3.14Å; V1789-W1955 HydrophobicContact CG1-CZ2 3.95Å; V1789-Y1959 HydrophobicContact CG2-CD2 4.46Å; V1789-Y1959 HydrophobicContact CG2-CE2 3.76Å; V1789-P1974 HydrophobicContact CG1-CG 4.4Å |
| 1790 | P | 59.5 | Low | 78.8 | Confident | 31 Ų | 31 | 22 Ų | 22 | 20% | 0.201 | 11% | 0.109 | C | C | . | . | trans | -71 | 85.2 | 171.4 | 30.3 | -33 | 0 | 0 | 0 | 109.3 | M1970 P1971 S1973 | P1790-M1970 HydrophobicContact CB-SD 4.41Å; P1790-M1970 HydrophobicContact CG-CG 3.91Å; P1790-M1970 HydrophobicContact CG-SD 4.28Å; P1790-P1971 VanDerWaalsContact CD-O 3.3Å; P1790-P1971 WeakPolarHBondContact CD-O 3.38Å; P1790-P1971 WeakPolarHBondContact CG-O 3.32Å; P1790-S1973 WeakPolarHBondContact O-CA 3.41Å; P1790-S1973 WeakPolarHBondContact O-CB 3.43Å; P1790-S1973 PolarHBondContact O-OG 2.92Å | ||
| 1791 | M | 65.5 | Low | 79.2 | Confident | 20 Ų | 20 | 19 Ų | 19 | 10% | 0.099 | 10% | 0.095 | C | C | . | . | trans | -99.3 | 164.2 | 167.2 | -59.3 | -156.5 | -60.2 | 0 | 0 | 110 | V1789 L1793 M1911 S1917 P1974 D1975 | V1789-M1791 VanDerWaalsContact C-N 3.25Å; V1789-M1791 HydrophobicContact CB-CG 4.18Å; V1789-M1791 HydrophobicContact CG1-CG 4.12Å; V1789-M1791 PolarHBondContact O-N 3.14Å; M1791-L1793 PolarHBondContact O-N 2.83Å; M1791-M1911 HydrophobicContact CE-CB 4.46Å; M1791-M1911 HydrophobicContact CE-CG 4.26Å; M1791-M1911 HydrophobicContact CE-SD 4.04Å; M1791-S1917 PolarHBondContact SD-OG 3.46Å; M1791-S1917 VanDerWaalsContact SD-OG 3.39Å; M1791-P1974 HydrophobicContact CG-CG 3.67Å; M1791-P1974 HydrophobicContact SD-CG 3.77Å; M1791-D1975 VanDerWaalsContact CA-OD2 3.27Å; M1791-D1975 WeakPolarHBondContact CA-OD2 3.32Å | ||
| 1792 | N | 69.2 | Low | 79.2 | Confident | 52 Ų | 52 | 15.2 Ų | 15.2 | 28% | 0.278 | 8% | 0.082 | S | C | . | . | trans | -64.4 | 60.7 | 169 | 63.6 | -9.8 | 0 | 0 | 0 | 113.9 | N1794 D1795 L1796 R1920 D1975 | N1792-N1794 PolarHBondContact O-N 3.3Å; N1792-D1795 HydrophobicContact CB-CB 4.12Å; N1792-D1795 PolarHBondContact ND2-OD2 2.86Å; N1792-D1795 WeakPolarHBondContact O-CB 3.35Å; N1792-D1795 PolarHBondContact O-N 3.13Å; N1792-L1796 PolarHBondContact O-N 3.39Å; N1792-R1920 VanDerWaalsContact OD1-CZ 3.26Å; N1792-R1920 PolarHBondContact OD1-NH1 2.81Å; N1792-R1920 PolarHBondContact OD1-NH2 2.9Å; N1792-D1975 PolarHBondContact N-OD2 3.33Å; N1792-D1975 PolarHBondContact OD1-OD2 3.14Å | ||
| 1793 | L | 79.3 | Confident | 79.4 | Confident | 9 Ų | 9 | 14.8 Ų | 14.8 | 5% | 0.047 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -54.3 | -31.2 | 171.9 | -76.6 | 170 | 0 | 0 | 0 | 112.5 | C1787 M1791 D1795 L1796 A1797 V1886 | C1787-L1793 HydrophobicContact CB-CD1 3.89Å; C1787-L1793 HydrophobicContact CB-CD2 4.1Å; C1787-L1793 HydrophobicContact CB-CG 4.17Å; M1791-L1793 PolarHBondContact O-N 2.83Å; L1793-D1795 VanDerWaalsContact C-N 3.28Å; L1793-D1795 PolarHBondContact O-N 2.76Å; L1793-L1796 PolarHBondContact O-N 2.67Å; L1793-A1797 WeakPolarHBondContact O-CB 3.29Å; L1793-A1797 PolarHBondContact O-N 3.15Å; L1793-V1886 HydrophobicContact CB-CG1 3.57Å; L1793-V1886 HydrophobicContact CD1-CG1 4.09Å; L1793-V1886 HydrophobicContact CG-CG1 4.49Å |
| 1794 | N | 81.5 | Confident | 79.5 | Confident | 49 Ų | 49 | 14.7 Ų | 14.7 | 26% | 0.262 | 8% | 0.079 | S | C | . | . | H | α-helix | trans | -58.6 | -39.3 | 173.4 | -68.5 | -9.9 | 0 | 0 | 0 | 112 | N1792 L1796 A1797 L1798 Q1856 | N1792-N1794 PolarHBondContact O-N 3.3Å; N1794-L1796 VanDerWaalsContact C-N 3.35Å; N1794-A1797 PolarHBondContact O-N 3.35Å; N1794-L1798 WeakPolarHBondContact O-CB 3.32Å; N1794-L1798 VanDerWaalsContact O-CG 3.25Å; N1794-L1798 WeakPolarHBondContact O-CG 3.4Å; N1794-L1798 PolarHBondContact O-N 3.23Å; N1794-Q1856 VanDerWaalsContact CG-CD 3.41Å; N1794-Q1856 PolarHBondContact ND2-OE1 3.44Å |
| 1795 | D | 81.6 | Confident | 79.7 | Confident | 27 Ų | 27 | 14.5 Ų | 14.5 | 14% | 0.144 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -69.8 | -35.8 | -179.5 | -135.5 | -6.9 | 0 | 0 | 0 | 110.8 | R1097 K1654 N1792 L1793 S1799 | R1097-D1795 IonicContact CZ-OD2 3.6Å; R1097-D1795 IonicContact NH1-OD1 2.77Å; R1097-D1795 PolarHBondContact NH1-OD1 3.4Å; R1097-D1795 VanDerWaalsContact NH1-OD1 3.14Å; R1097-D1795 IonicContact NH1-OD2 3.37Å; R1097-D1795 PolarHBondContact NH1-OD2 3.36Å; K1654-D1795 PolarHBondContact NZ-O 3.43Å; K1654-D1795 IonicContact NZ-OD1 3.15Å; K1654-D1795 PolarHBondContact NZ-OD1 3.15Å; N1792-D1795 HydrophobicContact CB-CB 4.12Å; N1792-D1795 PolarHBondContact ND2-OD2 2.86Å; N1792-D1795 WeakPolarHBondContact O-CB 3.35Å; N1792-D1795 PolarHBondContact O-N 3.13Å; L1793-D1795 VanDerWaalsContact C-N 3.28Å; L1793-D1795 PolarHBondContact O-N 2.76Å; D1795-S1799 PolarHBondContact O-N 3.14Å; D1795-S1799 VanDerWaalsContact O-N 3.07Å; D1795-S1799 PolarHBondContact O-OG 2.91Å; D1795-S1799 VanDerWaalsContact O-OG 3.13Å |
| 1796 | L | 85.8 | Confident | 79.7 | Confident | 8 Ų | 8 | 15.9 Ų | 15.9 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -71.1 | -41.6 | 172.1 | 177.9 | 60.8 | 0 | 0 | 0 | 112.3 | T1763 I1765 Y1773 N1792 L1793 N1794 L1798 S1799 L1800 | T1763-L1796 HydrophobicContact CG2-CD1 4.28Å; I1765-L1796 HydrophobicContact CD1-CD1 4.06Å; I1765-L1796 HydrophobicContact CD1-CD2 4.27Å; Y1773-L1796 HydrophobicContact CD2-CD2 4.35Å; Y1773-L1796 HydrophobicContact CE2-CD2 4.36Å; N1792-L1796 PolarHBondContact O-N 3.39Å; L1793-L1796 PolarHBondContact O-N 2.67Å; N1794-L1796 VanDerWaalsContact C-N 3.35Å; L1796-L1798 VanDerWaalsContact C-N 3.33Å; L1796-S1799 PolarHBondContact O-N 2.87Å; L1796-L1800 HydrophobicContact CD1-CD1 4.03Å; L1796-L1800 HydrophobicContact CD1-CG 4.16Å; L1796-L1800 HydrophobicContact CG-CD1 3.95Å; L1796-L1800 WeakPolarHBondContact O-CB 3.4Å; L1796-L1800 VanDerWaalsContact O-CG 3.27Å; L1796-L1800 WeakPolarHBondContact O-CG 3.26Å; L1796-L1800 PolarHBondContact O-N 2.86Å |
| 1797 | A | 88.7 | Confident | 80.3 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.2 | -41.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1785 L1793 N1794 L1800 A1801 I1854 I1884 V1886 | L1785-A1797 HydrophobicContact CD1-CB 3.96Å; L1793-A1797 WeakPolarHBondContact O-CB 3.29Å; L1793-A1797 PolarHBondContact O-N 3.15Å; N1794-A1797 PolarHBondContact O-N 3.35Å; A1797-L1800 PolarHBondContact O-N 3.46Å; A1797-A1801 VanDerWaalsContact O-CB 3.25Å; A1797-A1801 WeakPolarHBondContact O-CB 3.32Å; A1797-A1801 PolarHBondContact O-N 3.38Å; A1797-I1854 HydrophobicContact CB-CD1 4.45Å; A1797-I1854 HydrophobicContact CB-CG2 4.18Å; A1797-I1884 HydrophobicContact CB-CG2 3.96Å; A1797-V1886 HydrophobicContact CB-CG2 3.82Å |
| 1798 | L | 89.4 | Confident | 81.1 | Confident | 38 Ų | 38 | 21.8 Ų | 21.8 | 20% | 0.199 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -63.9 | -50.8 | 173.9 | -75 | 166 | 0 | 0 | 0 | 111.8 | N1794 L1796 L1800 A1801 E1802 I1819 I1854 | N1794-L1798 WeakPolarHBondContact O-CB 3.32Å; N1794-L1798 VanDerWaalsContact O-CG 3.25Å; N1794-L1798 WeakPolarHBondContact O-CG 3.4Å; N1794-L1798 PolarHBondContact O-N 3.23Å; L1796-L1798 VanDerWaalsContact C-N 3.33Å; L1798-L1800 VanDerWaalsContact C-N 3.27Å; L1798-L1800 PolarHBondContact O-N 3.42Å; L1798-A1801 PolarHBondContact O-N 2.95Å; L1798-A1801 VanDerWaalsContact O-N 3.11Å; L1798-E1802 WeakPolarHBondContact O-CB 3.46Å; L1798-E1802 VanDerWaalsContact O-CG 3.24Å; L1798-E1802 WeakPolarHBondContact O-CG 3.35Å; L1798-E1802 PolarHBondContact O-N 3.39Å; L1798-I1819 HydrophobicContact CD2-CD1 3.76Å; L1798-I1819 HydrophobicContact CD2-CG1 4.43Å; L1798-I1854 HydrophobicContact CD2-CD1 3.73Å; L1798-I1854 HydrophobicContact CG-CD1 4.16Å |
| 1799 | S | 88.4 | Confident | 82 | Confident | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -63.7 | -30.9 | 178.2 | -62.2 | 0 | 0 | 0 | 0 | 113 | K1654 E1762 D1795 L1796 Y1803 | K1654-S1799 PolarHBondContact NZ-OG 3.44Å; E1762-S1799 PolarHBondContact OE1-OG 3.41Å; E1762-S1799 VanDerWaalsContact OE2-CB 3.22Å; E1762-S1799 WeakPolarHBondContact OE2-CB 3.45Å; E1762-S1799 PolarHBondContact OE2-OG 3.01Å; D1795-S1799 PolarHBondContact O-N 3.14Å; D1795-S1799 VanDerWaalsContact O-N 3.07Å; D1795-S1799 PolarHBondContact O-OG 2.91Å; D1795-S1799 VanDerWaalsContact O-OG 3.13Å; L1796-S1799 PolarHBondContact O-N 2.87Å; S1799-Y1803 WeakPolarHBondContact O-CB 3.36Å; S1799-Y1803 PolarHBondContact O-N 2.92Å; S1799-Y1803 VanDerWaalsContact O-N 3.12Å |
| 1800 | L | 89.9 | Confident | 82.8 | Confident | 5 Ų | 5 | 27.4 Ų | 27.4 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -72.7 | -37.9 | 171.4 | -74.6 | 169.4 | 0 | 0 | 0 | 112.6 | L1759 A1774 L1777 L1785 L1796 A1797 L1798 C1804 | L1759-L1800 HydrophobicContact CD2-CD2 4.18Å; A1774-L1800 HydrophobicContact CB-CD2 3.86Å; L1777-L1800 HydrophobicContact CD2-CB 4.27Å; L1785-L1800 HydrophobicContact CD1-CD1 4.1Å; L1796-L1800 HydrophobicContact CD1-CD1 4.03Å; L1796-L1800 HydrophobicContact CD1-CG 4.16Å; L1796-L1800 HydrophobicContact CG-CD1 3.95Å; L1796-L1800 WeakPolarHBondContact O-CB 3.4Å; L1796-L1800 VanDerWaalsContact O-CG 3.27Å; L1796-L1800 WeakPolarHBondContact O-CG 3.26Å; L1796-L1800 PolarHBondContact O-N 2.86Å; A1797-L1800 PolarHBondContact O-N 3.46Å; L1798-L1800 VanDerWaalsContact C-N 3.27Å; L1798-L1800 PolarHBondContact O-N 3.42Å; L1800-C1804 VanDerWaalsContact O-CB 3.26Å; L1800-C1804 WeakPolarHBondContact O-CB 3.5Å; L1800-C1804 PolarHBondContact O-N 3.18Å |
| 1801 | A | 90.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -45.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A1797 L1798 Y1803 C1804 V1805 I1817 V1852 I1854 I1884 | A1797-A1801 VanDerWaalsContact O-CB 3.25Å; A1797-A1801 WeakPolarHBondContact O-CB 3.32Å; A1797-A1801 PolarHBondContact O-N 3.38Å; L1798-A1801 PolarHBondContact O-N 2.95Å; L1798-A1801 VanDerWaalsContact O-N 3.11Å; A1801-Y1803 VanDerWaalsContact C-N 3.34Å; A1801-Y1803 PolarHBondContact O-N 3.06Å; A1801-C1804 WeakPolarHBondContact O-CB 3.18Å; A1801-C1804 PolarHBondContact O-N 3.37Å; A1801-C1804 VanDerWaalsContact O-N 3.08Å; A1801-V1805 WeakPolarHBondContact O-CG2 3.49Å; A1801-V1805 PolarHBondContact O-N 2.89Å; A1801-I1817 HydrophobicContact CB-CD1 3.89Å; A1801-I1817 HydrophobicContact CB-CG1 4.29Å; A1801-I1817 HydrophobicContact CB-CG2 4.04Å; A1801-V1852 HydrophobicContact CB-CB 4.19Å; A1801-V1852 HydrophobicContact CB-CG1 3.69Å; A1801-V1852 HydrophobicContact CB-CG2 4.39Å; A1801-I1854 HydrophobicContact CB-CD1 3.84Å; A1801-I1854 HydrophobicContact CB-CG1 4.35Å; A1801-I1884 HydrophobicContact CB-CD1 4.11Å |
| 1802 | E | 87.1 | Confident | 83.6 | Confident | 19 Ų | 19 | 32.4 Ų | 32.4 | 9% | 0.089 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -56.4 | -49.3 | 173.5 | -71.5 | 165.4 | -160.9 | 0 | 0 | 110.3 | L1798 C1804 V1805 T1806 R1814 I1817 | L1798-E1802 WeakPolarHBondContact O-CB 3.46Å; L1798-E1802 VanDerWaalsContact O-CG 3.24Å; L1798-E1802 WeakPolarHBondContact O-CG 3.35Å; L1798-E1802 PolarHBondContact O-N 3.39Å; E1802-C1804 VanDerWaalsContact C-N 3.31Å; E1802-C1804 PolarHBondContact O-N 2.9Å; E1802-V1805 PolarHBondContact O-N 3.07Å; E1802-T1806 PolarHBondContact O-N 2.88Å; E1802-T1806 PolarHBondContact O-OG1 2.84Å; E1802-T1806 VanDerWaalsContact O-OG1 3.14Å; E1802-R1814 HydrophobicContact CG-CG 4.15Å; E1802-R1814 IonicContact OE1-CZ 2.76Å; E1802-R1814 IonicContact OE1-NE 2.81Å; E1802-R1814 PolarHBondContact OE1-NE 2.94Å; E1802-R1814 IonicContact OE1-NH2 3.19Å; E1802-R1814 PolarHBondContact OE1-NH2 3.45Å; E1802-R1814 VanDerWaalsContact OE1-NH2 3.15Å; E1802-R1814 IonicContact OE2-CZ 3.84Å; E1802-R1814 IonicContact OE2-NE 2.72Å; E1802-R1814 IonicContact OE2-NH2 2.76Å; E1802-R1814 PolarHBondContact OE2-NH2 3.32Å; E1802-I1817 HydrophobicContact CB-CD1 4.46Å; E1802-I1817 HydrophobicContact CG-CD1 3.74Å |
| 1803 | Y | 88.8 | Confident | 83.7 | Confident | 14 Ų | 14 | 31.3 Ų | 31.3 | 6% | 0.055 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.7 | -37.3 | 173.9 | -175.1 | -97.4 | 0 | 0 | 0 | 113.1 | P1751 A1755 F1756 L1759 A1774 S1799 A1801 R1807 | P1751-Y1803 HydrophobicContact CB-CD2 3.88Å; P1751-Y1803 HydrophobicContact CB-CE2 3.76Å; P1751-Y1803 HydrophobicContact CG-CD2 4.2Å; P1751-Y1803 HydrophobicContact CG-CE2 4.36Å; A1755-Y1803 WeakPolarHBondContact O-CE2 3.42Å; A1755-Y1803 PolarHBondContact O-OH 3.13Å; F1756-Y1803 AromaticContact CD1-CE1 3.82Å; F1756-Y1803 HydrophobicContact CD1-CE1 3.82Å; F1756-Y1803 HydrophobicContact CD1-CE2 4.4Å; F1756-Y1803 AromaticContact CD1-CZ 3.51Å; F1756-Y1803 WeakPolarHBondContact CD1-OH 3.28Å; F1756-Y1803 AromaticContact CE1-CE1 3.61Å; F1756-Y1803 HydrophobicContact CE1-CE1 3.61Å; F1756-Y1803 AromaticContact CE1-CZ 3.63Å; F1756-Y1803 WeakPolarHBondContact CE1-OH 3.41Å; F1756-Y1803 WeakPolarHBondContact CG-OH 3.33Å; F1756-Y1803 WeakPolarHBondContact CZ-OH 3.42Å; L1759-Y1803 HydrophobicContact CB-CD2 4.36Å; L1759-Y1803 HydrophobicContact CD2-CD1 4.29Å; L1759-Y1803 HydrophobicContact CD2-CD2 4.19Å; L1759-Y1803 HydrophobicContact CD2-CG 4.03Å; A1774-Y1803 HydrophobicContact CB-CD1 3.94Å; A1774-Y1803 HydrophobicContact CB-CE1 3.8Å; S1799-Y1803 WeakPolarHBondContact O-CB 3.36Å; S1799-Y1803 PolarHBondContact O-N 2.92Å; S1799-Y1803 VanDerWaalsContact O-N 3.12Å; A1801-Y1803 VanDerWaalsContact C-N 3.34Å; A1801-Y1803 PolarHBondContact O-N 3.06Å; Y1803-R1807 HydrophobicContact CD1-CG 4.1Å; Y1803-R1807 HydrophobicContact CE1-CG 3.84Å; Y1803-R1807 VanDerWaalsContact O-CB 3.25Å; Y1803-R1807 WeakPolarHBondContact O-CB 3.36Å; Y1803-R1807 WeakPolarHBondContact O-CG 3.27Å; Y1803-R1807 PolarHBondContact O-N 2.84Å; Y1803-R1807 PolarHBondContact OH-NE 3.07Å; Y1803-R1807 PolarHBondContact OH-NH2 2.89Å |
| 1804 | C | 89.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -69.6 | -41.5 | 177.8 | -166.3 | 0 | 0 | 0 | 0 | 112.3 | L1777 L1800 A1801 E1802 R1807 V1808 V1852 | L1777-C1804 HydrophobicContact CD2-CB 3.96Å; L1800-C1804 VanDerWaalsContact O-CB 3.26Å; L1800-C1804 WeakPolarHBondContact O-CB 3.5Å; L1800-C1804 PolarHBondContact O-N 3.18Å; A1801-C1804 WeakPolarHBondContact O-CB 3.18Å; A1801-C1804 PolarHBondContact O-N 3.37Å; A1801-C1804 VanDerWaalsContact O-N 3.08Å; E1802-C1804 VanDerWaalsContact C-N 3.31Å; E1802-C1804 PolarHBondContact O-N 2.9Å; C1804-R1807 PolarHBondContact O-N 3.13Å; C1804-V1808 WeakPolarHBondContact O-CB 3.31Å; C1804-V1808 VanDerWaalsContact O-CG2 3.32Å; C1804-V1808 WeakPolarHBondContact O-CG2 3.3Å; C1804-V1808 PolarHBondContact O-N 3.42Å; C1804-V1852 HydrophobicContact CB-CG2 4.33Å |
| 1805 | V | 87.7 | Confident | 83 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.006 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.8 | -52.9 | 175 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | A1801 E1802 R1807 V1808 D1809 G1813 A1816 I1817 L1851 V1852 | A1801-V1805 WeakPolarHBondContact O-CG2 3.49Å; A1801-V1805 PolarHBondContact O-N 2.89Å; E1802-V1805 PolarHBondContact O-N 3.07Å; V1805-R1807 PolarHBondContact O-N 3.28Å; V1805-R1807 VanDerWaalsContact O-N 3.1Å; V1805-V1808 PolarHBondContact O-N 3.46Å; V1805-D1809 WeakPolarHBondContact CG1-O 3.41Å; V1805-D1809 CarbonylContact O-C 3.2Å; V1805-D1809 PolarHBondContact O-N 3.05Å; V1805-G1813 WeakPolarHBondContact CG1-O 3.33Å; V1805-A1816 HydrophobicContact CG1-CB 4.13Å; V1805-A1816 HydrophobicContact CG2-CB 4.12Å; V1805-I1817 HydrophobicContact CG2-CD1 4.26Å; V1805-I1817 HydrophobicContact CG2-CG1 3.76Å; V1805-L1851 HydrophobicContact CB-CD2 4.49Å; V1805-L1851 HydrophobicContact CG1-CD2 4.34Å; V1805-L1851 HydrophobicContact CG2-CD2 4.25Å; V1805-V1852 HydrophobicContact CG2-CG2 3.75Å |
| 1806 | T | 85.5 | Confident | 83 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 19% | 0.19 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68 | -12.1 | -179.6 | -45.4 | 0 | 0 | 0 | 0 | 113 | P1751 E1802 | P1751-T1806 HydrophobicContact CB-CG2 4.38Å; P1751-T1806 HydrophobicContact CG-CG2 3.56Å; E1802-T1806 PolarHBondContact O-N 2.88Å; E1802-T1806 PolarHBondContact O-OG1 2.84Å; E1802-T1806 VanDerWaalsContact O-OG1 3.14Å |
| 1807 | R | 85.8 | Confident | 83 | Confident | 60 Ų | 60 | 36.4 Ų | 36.4 | 23% | 0.226 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -81.5 | -38.1 | 167 | -87.1 | -66.3 | -166.7 | 124.4 | -0.2 | 114 | P1751 N1754 L1778 Y1803 C1804 V1805 | P1751-R1807 HydrophobicContact CB-CG 3.7Å; P1751-R1807 WeakPolarHBondContact O-CD 3.44Å; P1751-R1807 PolarHBondContact O-NE 2.8Å; N1754-R1807 VanDerWaalsContact CA-NH2 3.31Å; N1754-R1807 PolarHBondContact O-NH2 3.19Å; N1754-R1807 PolarHBondContact OD1-NH1 3.49Å; L1778-R1807 HydrophobicContact CD2-CB 4.49Å; Y1803-R1807 HydrophobicContact CD1-CG 4.1Å; Y1803-R1807 HydrophobicContact CE1-CG 3.84Å; Y1803-R1807 VanDerWaalsContact O-CB 3.25Å; Y1803-R1807 WeakPolarHBondContact O-CB 3.36Å; Y1803-R1807 WeakPolarHBondContact O-CG 3.27Å; Y1803-R1807 PolarHBondContact O-N 2.84Å; Y1803-R1807 PolarHBondContact OH-NE 3.07Å; Y1803-R1807 PolarHBondContact OH-NH2 2.89Å; C1804-R1807 PolarHBondContact O-N 3.13Å; V1805-R1807 PolarHBondContact O-N 3.28Å; V1805-R1807 VanDerWaalsContact O-N 3.1Å |
| 1808 | V | 85.4 | Confident | 82.9 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -102.8 | -42.8 | -166.1 | 173.6 | 0 | 0 | 0 | 0 | 111.9 | L1778 C1804 V1805 L1851 Y1882 | L1778-V1808 HydrophobicContact CD2-CG2 4.03Å; C1804-V1808 WeakPolarHBondContact O-CB 3.31Å; C1804-V1808 VanDerWaalsContact O-CG2 3.32Å; C1804-V1808 WeakPolarHBondContact O-CG2 3.3Å; C1804-V1808 PolarHBondContact O-N 3.42Å; V1805-V1808 PolarHBondContact O-N 3.46Å; V1808-L1851 HydrophobicContact CB-CD2 4.2Å; V1808-L1851 HydrophobicContact CG1-CD1 4.29Å; V1808-L1851 HydrophobicContact CG1-CD2 4.09Å; V1808-Y1882 HydrophobicContact CG1-CE2 4.48Å; V1808-Y1882 HydrophobicContact CG2-CE2 4.27Å |
| 1809 | D | 80.9 | Confident | 82.6 | Confident | 50 Ų | 50 | 38.9 Ų | 38.9 | 27% | 0.267 | 22% | 0.221 | S | C | . | . | trans | -150.8 | 88.8 | 177.8 | -173.8 | -8.3 | 0 | 0 | 0 | 110.6 | V1805 S1811 R1812 L1851 | V1805-D1809 WeakPolarHBondContact CG1-O 3.41Å; V1805-D1809 CarbonylContact O-C 3.2Å; V1805-D1809 PolarHBondContact O-N 3.05Å; D1809-S1811 PolarHBondContact O-N 2.7Å; D1809-S1811 VanDerWaalsContact O-N 3.13Å; D1809-S1811 VanDerWaalsContact OD1-CB 3.31Å; D1809-S1811 WeakPolarHBondContact OD1-CB 3.26Å; D1809-S1811 PolarHBondContact OD1-N 3.06Å; D1809-S1811 PolarHBondContact OD1-OG 2.88Å; D1809-R1812 WeakPolarHBondContact OD2-CD 3.35Å; D1809-R1812 VanDerWaalsContact OD2-CG 3.25Å; D1809-R1812 WeakPolarHBondContact OD2-CG 3.38Å; D1809-L1851 HydrophobicContact CB-CD2 4.05Å | ||
| 1810 | P | 77.7 | Confident | 82.2 | Confident | 89 Ų | 89 | 39.3 Ų | 39.3 | 58% | 0.578 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -21 | 177.3 | -23.3 | 33.1 | 0 | 0 | 0 | 114.2 | R1812 | P1810-R1812 VanDerWaalsContact C-N 3.3Å; P1810-R1812 PolarHBondContact O-N 3.35Å |
| 1811 | S | 71.7 | Confident | 81.4 | Confident | 103 Ų | 103 | 42 Ų | 42 | 72% | 0.72 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -25 | -172.3 | 76.3 | 0 | 0 | 0 | 0 | 113.4 | D1809 | D1809-S1811 PolarHBondContact O-N 2.7Å; D1809-S1811 VanDerWaalsContact O-N 3.13Å; D1809-S1811 VanDerWaalsContact OD1-CB 3.31Å; D1809-S1811 WeakPolarHBondContact OD1-CB 3.26Å; D1809-S1811 PolarHBondContact OD1-N 3.06Å; D1809-S1811 PolarHBondContact OD1-OG 2.88Å |
| 1812 | R | 71.6 | Confident | 80.2 | Confident | 54 Ų | 54 | 43.3 Ų | 43.3 | 20% | 0.204 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -95.2 | -16 | -172 | -55.5 | -179.1 | 68.8 | -155.7 | -1.4 | 114.6 | D1809 P1810 S1815 A1816 C1847 G1848 N1849 | D1809-R1812 WeakPolarHBondContact OD2-CD 3.35Å; D1809-R1812 VanDerWaalsContact OD2-CG 3.25Å; D1809-R1812 WeakPolarHBondContact OD2-CG 3.38Å; P1810-R1812 VanDerWaalsContact C-N 3.3Å; P1810-R1812 PolarHBondContact O-N 3.35Å; R1812-S1815 PolarHBondContact O-OG 2.9Å; R1812-A1816 HydrophobicContact CB-CB 3.76Å; R1812-C1847 PolarHBondContact NH2-O 3.26Å; R1812-G1848 PolarHBondContact NH2-O 2.69Å; R1812-N1849 VanDerWaalsContact CZ-O 3.32Å; R1812-N1849 PolarHBondContact NH1-O 3.01Å; R1812-N1849 PolarHBondContact NH2-O 2.98Å |
| 1813 | G | 71.4 | Confident | 78.9 | Confident | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | 51.7 | -157.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1805 S1815 A1816 | V1805-G1813 WeakPolarHBondContact CG1-O 3.33Å; G1813-S1815 PolarHBondContact O-N 3.45Å; G1813-S1815 VanDerWaalsContact O-N 3.1Å; G1813-A1816 PolarHBondContact O-N 2.73Å; G1813-A1816 VanDerWaalsContact O-N 3.11Å |
| 1814 | R | 72.6 | Confident | 76.9 | Confident | 99 Ų | 99 | 53.5 Ų | 53.5 | 37% | 0.374 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -57.7 | -25.7 | -179.2 | -89.2 | -156.5 | -174.6 | 96.1 | 12.4 | 114.4 | A1653 E1802 A1816 I1817 | A1653-R1814 PolarHBondContact O-NH1 2.93Å; E1802-R1814 HydrophobicContact CG-CG 4.15Å; E1802-R1814 IonicContact OE1-CZ 2.76Å; E1802-R1814 IonicContact OE1-NE 2.81Å; E1802-R1814 PolarHBondContact OE1-NE 2.94Å; E1802-R1814 IonicContact OE1-NH2 3.19Å; E1802-R1814 PolarHBondContact OE1-NH2 3.45Å; E1802-R1814 VanDerWaalsContact OE1-NH2 3.15Å; E1802-R1814 IonicContact OE2-CZ 3.84Å; E1802-R1814 IonicContact OE2-NE 2.72Å; E1802-R1814 IonicContact OE2-NH2 2.76Å; E1802-R1814 PolarHBondContact OE2-NH2 3.32Å; R1814-A1816 PolarHBondContact O-N 3.04Å; R1814-I1817 HydrophobicContact CG-CD1 4.41Å; R1814-I1817 WeakPolarHBondContact O-CB 3.37Å; R1814-I1817 PolarHBondContact O-N 3.47Å |
| 1815 | S | 73.2 | Confident | 74.5 | Confident | 78 Ų | 78 | 55.8 Ų | 55.8 | 55% | 0.545 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -69.5 | -9.6 | 179.7 | 47.2 | 0 | 0 | 0 | 0 | 113.8 | R1812 G1813 I1817 C1847 | R1812-S1815 PolarHBondContact O-OG 2.9Å; G1813-S1815 PolarHBondContact O-N 3.45Å; G1813-S1815 VanDerWaalsContact O-N 3.1Å; S1815-I1817 VanDerWaalsContact C-N 3.26Å; S1815-C1847 VanDerWaalsContact CB-SG 3.52Å; S1815-C1847 PolarHBondContact O-SG 3.48Å |
| 1816 | A | 82.2 | Confident | 72.1 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -80.6 | 0.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1805 R1812 G1813 R1814 P1850 L1851 V1852 | V1805-A1816 HydrophobicContact CG1-CB 4.13Å; V1805-A1816 HydrophobicContact CG2-CB 4.12Å; R1812-A1816 HydrophobicContact CB-CB 3.76Å; G1813-A1816 PolarHBondContact O-N 2.73Å; G1813-A1816 VanDerWaalsContact O-N 3.11Å; R1814-A1816 PolarHBondContact O-N 3.04Å; A1816-P1850 CarbonylContact O-C 3.56Å; A1816-L1851 HydrophobicContact CB-CB 3.85Å; A1816-L1851 PolarHBondContact O-N 2.96Å; A1816-V1852 PolarHBondContact O-N 2.88Å |
| 1817 | I | 85.9 | Confident | 69.9 | Low | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 109.3 | -179.5 | -51 | 173.1 | 0 | 0 | 0 | 109.3 | A1801 E1802 V1805 R1814 S1815 I1819 V1852 I1854 | A1801-I1817 HydrophobicContact CB-CD1 3.89Å; A1801-I1817 HydrophobicContact CB-CG1 4.29Å; A1801-I1817 HydrophobicContact CB-CG2 4.04Å; E1802-I1817 HydrophobicContact CB-CD1 4.46Å; E1802-I1817 HydrophobicContact CG-CD1 3.74Å; V1805-I1817 HydrophobicContact CG2-CD1 4.26Å; V1805-I1817 HydrophobicContact CG2-CG1 3.76Å; R1814-I1817 HydrophobicContact CG-CD1 4.41Å; R1814-I1817 WeakPolarHBondContact O-CB 3.37Å; R1814-I1817 PolarHBondContact O-N 3.47Å; S1815-I1817 VanDerWaalsContact C-N 3.26Å; I1817-I1819 HydrophobicContact CG2-CG1 4.44Å; I1817-V1852 WeakPolarHBondContact CA-O 3.49Å; I1817-V1852 HydrophobicContact CG1-CB 4.47Å; I1817-V1852 HydrophobicContact CG2-CB 4.5Å; I1817-I1854 HydrophobicContact CG2-CD1 3.79Å; I1817-I1854 HydrophobicContact CG2-CG1 4.12Å |
| 1818 | A | 84.7 | Confident | 68 | Low | 10 Ų | 10 | 69.9 Ų | 69.9 | 8% | 0.083 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 139.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | E1841 P1850 V1852 L1853 I1854 | A1818-E1841 HydrophobicContact CB-CG 4.17Å; A1818-P1850 HydrophobicContact CB-CB 3.72Å; A1818-P1850 HydrophobicContact CB-CG 3.97Å; A1818-V1852 PolarHBondContact N-O 3.07Å; A1818-L1853 HydrophobicContact CB-CD1 3.68Å; A1818-I1854 PolarHBondContact O-N 3.11Å |
| 1819 | I | 84.3 | Confident | 66.2 | Low | 80 Ų | 80 | 69.4 Ų | 69.4 | 41% | 0.41 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 117.2 | 179.7 | -50.5 | 169.6 | 0 | 0 | 0 | 108.5 | L1798 I1817 Q1856 | L1798-I1819 HydrophobicContact CD2-CD1 3.76Å; L1798-I1819 HydrophobicContact CD2-CG1 4.43Å; I1817-I1819 HydrophobicContact CG2-CG1 4.44Å; I1819-Q1856 HydrophobicContact CG2-CG 4.21Å |
| 1820 | L | 79.3 | Confident | 64.9 | Low | 11 Ų | 11 | 75.7 Ų | 75.7 | 6% | 0.058 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 129.4 | 177 | -62.8 | 174.6 | 0 | 0 | 0 | 109.2 | M1837 I1838 E1841 L1853 I1854 L1855 Q1856 W1858 | L1820-M1837 HydrophobicContact CB-CE 4.19Å; L1820-M1837 HydrophobicContact CD1-CE 3.74Å; L1820-M1837 HydrophobicContact CD2-CE 3.79Å; L1820-M1837 HydrophobicContact CG-CE 4.13Å; L1820-I1838 HydrophobicContact CD1-CD1 4.5Å; L1820-I1838 HydrophobicContact CD1-CG1 3.54Å; L1820-E1841 HydrophobicContact CD2-CB 4.34Å; L1820-E1841 HydrophobicContact CD2-CG 4.01Å; L1820-L1853 HydrophobicContact CD1-CD1 3.79Å; L1820-L1853 HydrophobicContact CG-CD1 4.13Å; L1820-I1854 PolarHBondContact N-O 3.43Å; L1820-L1855 HydrophobicContact CB-CD2 3.86Å; L1820-L1855 HydrophobicContact CD1-CD2 3.86Å; L1820-L1855 HydrophobicContact CG-CD2 4.35Å; L1820-Q1856 PolarHBondContact O-N 3.45Å; L1820-W1858 HydrophobicContact CB-CZ2 3.91Å; L1820-W1858 PolarHBondContact O-NE1 3.42Å |
| 1821 | N | 74.1 | Confident | 64 | Low | 63 Ų | 63 | 73.3 Ų | 73.3 | 34% | 0.337 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 116.9 | -178.5 | -178.7 | 19 | 0 | 0 | 0 | 110.5 | K1823 S1824 Q1856 N1857 | N1821-K1823 PolarHBondContact O-N 2.91Å; N1821-S1824 WeakPolarHBondContact O-CB 3.27Å; N1821-S1824 PolarHBondContact O-N 3.36Å; N1821-S1824 VanDerWaalsContact O-N 3.13Å; N1821-Q1856 WeakPolarHBondContact CA-O 3.37Å; N1821-N1857 PolarHBondContact OD1-ND2 2.96Å |
| 1822 | G | 64.8 | Low | 63.5 | Low | 27 Ų | 27 | 70.6 Ų | 70.6 | 28% | 0.278 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -7.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | Q1856 W1858 | G1822-Q1856 PolarHBondContact N-O 2.8Å; G1822-W1858 VanDerWaalsContact CA-CD2 3.49Å; G1822-W1858 VanDerWaalsContact CA-CE2 3.4Å; G1822-W1858 VanDerWaalsContact N-CE2 3.3Å |
| 1823 | K | 60.3 | Low | 63.3 | Low | 139 Ų | 139 | 71.2 Ų | 71.2 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -6.3 | 177.7 | -60.3 | -160.3 | 168.9 | -144.8 | 0 | 114.7 | N1821 G1825 N1857 E1860 | N1821-K1823 PolarHBondContact O-N 2.91Å; K1823-G1825 PolarHBondContact O-N 2.93Å; K1823-N1857 HydrophobicContact CG-CB 4.09Å; K1823-E1860 IonicContact NZ-OE1 3.88Å |
| 1824 | S | 46.4 | Very low | 62.9 | Low | 108 Ų | 108 | 70.6 Ų | 70.6 | 76% | 0.755 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -90.5 | 14.4 | -164.9 | -158.7 | 0 | 0 | 0 | 0 | 115.9 | N1821 | N1821-S1824 WeakPolarHBondContact O-CB 3.27Å; N1821-S1824 PolarHBondContact O-N 3.36Å; N1821-S1824 VanDerWaalsContact O-N 3.13Å |
| 1825 | G | 39.4 | Very low | 62.7 | Low | 49 Ų | 49 | 67 Ų | 67 | 51% | 0.505 | 41% | 0.408 | S | S | . | . | S | Bend | trans | -165.5 | 148.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1823 C1827 | K1823-G1825 PolarHBondContact O-N 2.93Å; G1825-C1827 PolarHBondContact O-N 3.4Å |
| 1826 | G | 36.7 | Very low | 62.5 | Low | 84 Ų | 84 | 68.8 Ų | 68.8 | 87% | 0.866 | 41% | 0.407 | S | S | * | . | trans | -72.2 | 28.4 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | K1828 | G1826-K1828 PolarHBondContact O-N 3.47Š| ||
| 1827 | C | 40.2 | Very low | 61.9 | Low | 93 Ų | 93 | 72 Ų | 72 | 63% | 0.628 | 42% | 0.423 | S | S | * | . | trans | -73.8 | 83.4 | -171.5 | -60.8 | 0 | 0 | 0 | 0 | 112.1 | G1825 G1829 | G1825-C1827 PolarHBondContact O-N 3.4Å; C1827-G1829 VanDerWaalsContact C-N 3.26Å; C1827-G1829 PolarHBondContact O-N 3.49Å | ||
| 1828 | K | 44.8 | Very low | 61.1 | Low | 211 Ų | 211 | 71 Ų | 71 | 92% | 0.917 | 42% | 0.418 | S | S | * | . | trans | -67.2 | 80.7 | 171.2 | -75.3 | -178.9 | 178.9 | 169.9 | 0 | 111.9 | G1826 | G1826-K1828 PolarHBondContact O-N 3.47Š| ||
| 1829 | G | 48.3 | Very low | 60.4 | Low | 57 Ų | 57 | 75.9 Ų | 75.9 | 59% | 0.588 | 44% | 0.435 | S | S | * | . | S | Bend | trans | 71.9 | 88.6 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | C1827 | C1827-G1829 VanDerWaalsContact C-N 3.26Å; C1827-G1829 PolarHBondContact O-N 3.49Å |
| 1830 | R | 54.2 | Low | 59.8 | Low | 182 Ų | 182 | 78.1 Ų | 78.1 | 69% | 0.687 | 44% | 0.443 | S | S | * | . | trans | -168.4 | 135.3 | 147.9 | -113.9 | 165.5 | -179.1 | 173.8 | -0.8 | 112.7 | S1832 D1833 | R1830-S1832 WeakPolarHBondContact CB-OG 3.25Å; R1830-S1832 PolarHBondContact O-N 3.08Å; R1830-D1833 PolarHBondContact O-N 3.17Å; R1830-D1833 VanDerWaalsContact O-N 3.13Å | ||
| 1831 | S | 58.5 | Low | 59.2 | Low | 39 Ų | 39 | 80.8 Ų | 80.8 | 27% | 0.273 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -53.9 | -28.6 | 169.9 | 43.1 | 0 | 0 | 0 | 0 | 114.3 | D1833 T1835 E1867 | S1831-D1833 PolarHBondContact O-N 2.87Å; S1831-T1835 WeakPolarHBondContact O-CB 3.22Å; S1831-T1835 PolarHBondContact O-N 3.48Å; S1831-T1835 PolarHBondContact O-OG1 3.02Å; S1831-E1867 WeakPolarHBondContact CB-OE1 3.41Å; S1831-E1867 PolarHBondContact N-OE1 3.33Å; S1831-E1867 PolarHBondContact OG-OE1 3.47Å |
| 1832 | S | 60.5 | Low | 58.9 | Low | 46 Ų | 46 | 78.5 Ų | 78.5 | 32% | 0.322 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.6 | -37.1 | 176 | 51 | 0 | 0 | 0 | 0 | 112.6 | R1830 T1835 Q1836 | R1830-S1832 WeakPolarHBondContact CB-OG 3.25Å; R1830-S1832 PolarHBondContact O-N 3.08Å; S1832-T1835 CarbonylContact O-C 3.59Å; S1832-T1835 PolarHBondContact O-N 3.46Å; S1832-Q1836 VanDerWaalsContact O-CG 3.32Å; S1832-Q1836 WeakPolarHBondContact O-CG 3.41Å; S1832-Q1836 PolarHBondContact O-N 3.25Å |
| 1833 | D | 66.7 | Low | 59 | Low | 68 Ų | 68 | 85.9 Ų | 85.9 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -84.8 | -40.6 | -165.5 | -60.3 | 9 | 0 | 0 | 0 | 109.6 | R1830 S1831 T1835 Q1836 M1837 | R1830-D1833 PolarHBondContact O-N 3.17Å; R1830-D1833 VanDerWaalsContact O-N 3.13Å; S1831-D1833 PolarHBondContact O-N 2.87Å; D1833-T1835 VanDerWaalsContact C-N 3.31Å; D1833-T1835 PolarHBondContact O-N 3.08Å; D1833-Q1836 PolarHBondContact O-N 2.84Å; D1833-M1837 WeakPolarHBondContact O-CB 3.3Å; D1833-M1837 PolarHBondContact O-N 2.77Å |
| 1834 | L | 65 | Low | 59 | Low | 15 Ų | 15 | 82 Ų | 82 | 8% | 0.079 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57.6 | -44.1 | 163.1 | 171 | 123 | 0 | 0 | 0 | 111.2 | Q1836 M1837 I1838 W1858 L1868 A1871 L1872 | L1834-Q1836 VanDerWaalsContact C-N 3.26Å; L1834-Q1836 PolarHBondContact O-N 3.16Å; L1834-M1837 PolarHBondContact O-N 2.69Å; L1834-I1838 HydrophobicContact CD1-CD1 4.19Å; L1834-I1838 HydrophobicContact CD2-CD1 3.62Å; L1834-I1838 HydrophobicContact CG-CD1 3.64Å; L1834-I1838 HydrophobicContact CG-CG1 4.27Å; L1834-I1838 WeakPolarHBondContact O-CB 3.32Å; L1834-I1838 VanDerWaalsContact O-CG1 3.3Å; L1834-I1838 WeakPolarHBondContact O-CG1 3.3Å; L1834-I1838 PolarHBondContact O-N 2.89Å; L1834-W1858 HydrophobicContact CD1-CD2 3.73Å; L1834-W1858 HydrophobicContact CD1-CE3 3.37Å; L1834-W1858 HydrophobicContact CD1-CH2 4.07Å; L1834-W1858 HydrophobicContact CD1-CZ2 4.38Å; L1834-W1858 HydrophobicContact CD1-CZ3 3.55Å; L1834-L1868 HydrophobicContact CD1-CD1 3.43Å; L1834-L1868 VanDerWaalsContact CD1-CD1 3.43Å; L1834-L1868 HydrophobicContact CD2-CD1 3.62Å; L1834-L1868 HydrophobicContact CG-CD1 4.16Å; L1834-A1871 HydrophobicContact CD2-CB 4.32Å; L1834-L1872 HydrophobicContact CD2-CD2 4.5Å |
| 1835 | T | 67.5 | Low | 59.7 | Low | 25 Ų | 25 | 78.2 Ų | 78.2 | 15% | 0.153 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67.3 | -28.2 | 179.3 | -52.6 | 0 | 0 | 0 | 0 | 112 | S1831 S1832 D1833 R1839 | S1831-T1835 WeakPolarHBondContact O-CB 3.22Å; S1831-T1835 PolarHBondContact O-N 3.48Å; S1831-T1835 PolarHBondContact O-OG1 3.02Å; S1832-T1835 CarbonylContact O-C 3.59Å; S1832-T1835 PolarHBondContact O-N 3.46Å; D1833-T1835 VanDerWaalsContact C-N 3.31Å; D1833-T1835 PolarHBondContact O-N 3.08Å; T1835-R1839 WeakPolarHBondContact O-CB 3.42Å; T1835-R1839 WeakPolarHBondContact O-CG 3.48Å; T1835-R1839 PolarHBondContact O-N 3.39Å; T1835-R1839 PolarHBondContact O-NE 3.3Å |
| 1836 | Q | 68.7 | Low | 60.3 | Low | 114 Ų | 114 | 84.5 Ų | 84.5 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -74.5 | -45.9 | 170.5 | -76.7 | -179.9 | 68.5 | 0 | 0 | 111.9 | S1832 D1833 L1834 R1839 H1840 | S1832-Q1836 VanDerWaalsContact O-CG 3.32Å; S1832-Q1836 WeakPolarHBondContact O-CG 3.41Å; S1832-Q1836 PolarHBondContact O-N 3.25Å; D1833-Q1836 PolarHBondContact O-N 2.84Å; L1834-Q1836 VanDerWaalsContact C-N 3.26Å; L1834-Q1836 PolarHBondContact O-N 3.16Å; Q1836-R1839 CarbonylContact O-C 3.6Å; Q1836-R1839 WeakPolarHBondContact O-CA 3.16Å; Q1836-R1839 WeakPolarHBondContact O-CB 3.06Å; Q1836-R1839 PolarHBondContact O-N 2.87Å; Q1836-R1839 VanDerWaalsContact O-N 3.13Å; Q1836-H1840 PolarHBondContact O-N 3.39Å |
| 1837 | M | 69.3 | Low | 60.9 | Low | 67 Ų | 67 | 83 Ų | 83 | 33% | 0.33 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -65.3 | -39.7 | 179.7 | -169.9 | -162.2 | 64.7 | 0 | 0 | 112 | L1820 D1833 L1834 H1840 E1841 W1858 | L1820-M1837 HydrophobicContact CB-CE 4.19Å; L1820-M1837 HydrophobicContact CD1-CE 3.74Å; L1820-M1837 HydrophobicContact CD2-CE 3.79Å; L1820-M1837 HydrophobicContact CG-CE 4.13Å; D1833-M1837 WeakPolarHBondContact O-CB 3.3Å; D1833-M1837 PolarHBondContact O-N 2.77Å; L1834-M1837 PolarHBondContact O-N 2.69Å; M1837-H1840 WeakPolarHBondContact O-CB 3.21Å; M1837-H1840 PolarHBondContact O-N 3.43Å; M1837-E1841 WeakPolarHBondContact O-CB 3.42Å; M1837-E1841 PolarHBondContact O-N 2.88Å; M1837-W1858 HydrophobicContact CE-CH2 3.36Å; M1837-W1858 HydrophobicContact CE-CZ2 3.5Å; M1837-W1858 HydrophobicContact CE-CZ3 4.44Å; M1837-W1858 HydrophobicContact SD-CH2 4.1Å |
| 1838 | I | 69 | Low | 62 | Low | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63 | -42.7 | 170.7 | -68.1 | 168.7 | 0 | 0 | 0 | 110.5 | L1820 L1834 H1840 E1841 I1842 L1853 L1872 I1878 | L1820-I1838 HydrophobicContact CD1-CD1 4.5Å; L1820-I1838 HydrophobicContact CD1-CG1 3.54Å; L1834-I1838 HydrophobicContact CD1-CD1 4.19Å; L1834-I1838 HydrophobicContact CD2-CD1 3.62Å; L1834-I1838 HydrophobicContact CG-CD1 3.64Å; L1834-I1838 HydrophobicContact CG-CG1 4.27Å; L1834-I1838 WeakPolarHBondContact O-CB 3.32Å; L1834-I1838 VanDerWaalsContact O-CG1 3.3Å; L1834-I1838 WeakPolarHBondContact O-CG1 3.3Å; L1834-I1838 PolarHBondContact O-N 2.89Å; I1838-H1840 VanDerWaalsContact C-N 3.27Å; I1838-H1840 PolarHBondContact O-N 3.38Å; I1838-E1841 PolarHBondContact O-N 3.38Å; I1838-I1842 HydrophobicContact CG2-CD1 3.59Å; I1838-I1842 HydrophobicContact CG2-CG1 4.25Å; I1838-I1842 WeakPolarHBondContact O-CB 3.38Å; I1838-I1842 WeakPolarHBondContact O-CD1 3.44Å; I1838-I1842 WeakPolarHBondContact O-CG1 3.36Å; I1838-I1842 PolarHBondContact O-N 3.41Å; I1838-L1853 HydrophobicContact CD1-CD2 4.29Å; I1838-L1853 HydrophobicContact CG1-CD2 4.36Å; I1838-L1853 HydrophobicContact CG2-CD2 4.06Å; I1838-L1872 HydrophobicContact CD1-CD2 3.62Å; I1838-I1878 HydrophobicContact CD1-CD1 4.24Å; I1838-I1878 HydrophobicContact CG2-CD1 3.77Å; I1838-I1878 HydrophobicContact CG2-CG1 4.09Å |
| 1839 | R | 70.6 | Confident | 63.2 | Low | 114 Ų | 114 | 75 Ų | 75 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.6 | -30.4 | 173.8 | -83.3 | 178.6 | -70.9 | 168.3 | -4.3 | 112.8 | T1835 Q1836 K1843 A1877 | T1835-R1839 WeakPolarHBondContact O-CB 3.42Å; T1835-R1839 WeakPolarHBondContact O-CG 3.48Å; T1835-R1839 PolarHBondContact O-N 3.39Å; T1835-R1839 PolarHBondContact O-NE 3.3Å; Q1836-R1839 CarbonylContact O-C 3.6Å; Q1836-R1839 WeakPolarHBondContact O-CA 3.16Å; Q1836-R1839 WeakPolarHBondContact O-CB 3.06Å; Q1836-R1839 PolarHBondContact O-N 2.87Å; Q1836-R1839 VanDerWaalsContact O-N 3.13Å; R1839-K1843 WeakPolarHBondContact O-CB 3.38Å; R1839-K1843 WeakPolarHBondContact O-CD 3.48Å; R1839-K1843 WeakPolarHBondContact O-CG 3.11Å; R1839-K1843 PolarHBondContact O-N 3.22Å; R1839-A1877 HydrophobicContact CG-CB 4.42Å |
| 1840 | H | 70.9 | Confident | 64.5 | Low | 127 Ų | 127 | 72.5 Ų | 72.5 | 59% | 0.588 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -69.3 | -52.5 | 173.5 | -173.5 | -80.3 | 0 | 0 | 0 | 110 | Q1836 M1837 I1838 I1842 K1843 S1844 | Q1836-H1840 PolarHBondContact O-N 3.39Å; M1837-H1840 WeakPolarHBondContact O-CB 3.21Å; M1837-H1840 PolarHBondContact O-N 3.43Å; I1838-H1840 VanDerWaalsContact C-N 3.27Å; I1838-H1840 PolarHBondContact O-N 3.38Å; H1840-I1842 VanDerWaalsContact C-N 3.33Å; H1840-I1842 PolarHBondContact O-N 2.96Å; H1840-K1843 CarbonylContact O-C 3.47Å; H1840-K1843 WeakPolarHBondContact O-CA 3.22Å; H1840-K1843 WeakPolarHBondContact O-CB 3.46Å; H1840-K1843 PolarHBondContact O-N 3.04Å; H1840-S1844 PolarHBondContact O-N 2.99Å; H1840-S1844 PolarHBondContact O-OG 2.99Å; H1840-S1844 VanDerWaalsContact O-OG 3.09Å |
| 1841 | E | 68.2 | Low | 65.8 | Low | 67 Ų | 67 | 64.7 Ų | 64.7 | 31% | 0.313 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.4 | -42.2 | 179.6 | -160.5 | 65.3 | -162.5 | 0 | 0 | 112.6 | A1818 L1820 M1837 I1838 K1843 S1844 S1845 | A1818-E1841 HydrophobicContact CB-CG 4.17Å; L1820-E1841 HydrophobicContact CD2-CB 4.34Å; L1820-E1841 HydrophobicContact CD2-CG 4.01Å; M1837-E1841 WeakPolarHBondContact O-CB 3.42Å; M1837-E1841 PolarHBondContact O-N 2.88Å; I1838-E1841 PolarHBondContact O-N 3.38Å; E1841-K1843 VanDerWaalsContact C-N 3.26Å; E1841-K1843 PolarHBondContact O-N 3.01Å; E1841-S1844 WeakPolarHBondContact CA-OG 3.33Å; E1841-S1844 PolarHBondContact O-N 2.63Å; E1841-S1844 PolarHBondContact O-OG 3.48Å; E1841-S1845 PolarHBondContact O-N 3.4Å; E1841-S1845 VanDerWaalsContact O-N 3.1Å |
| 1842 | I | 67.2 | Low | 67.1 | Low | 15 Ų | 15 | 62.9 Ų | 62.9 | 8% | 0.077 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.3 | -35.3 | 174.3 | -69.3 | 168.8 | 0 | 0 | 0 | 111.3 | I1838 H1840 N1849 P1850 A1877 I1878 | I1838-I1842 HydrophobicContact CG2-CD1 3.59Å; I1838-I1842 HydrophobicContact CG2-CG1 4.25Å; I1838-I1842 WeakPolarHBondContact O-CB 3.38Å; I1838-I1842 WeakPolarHBondContact O-CD1 3.44Å; I1838-I1842 WeakPolarHBondContact O-CG1 3.36Å; I1838-I1842 PolarHBondContact O-N 3.41Å; H1840-I1842 VanDerWaalsContact C-N 3.33Å; H1840-I1842 PolarHBondContact O-N 2.96Å; I1842-N1849 HydrophobicContact CG2-CB 4.21Å; I1842-N1849 WeakPolarHBondContact CG2-OD1 3.45Å; I1842-P1850 HydrophobicContact CG1-CG 3.97Å; I1842-A1877 HydrophobicContact CD1-CB 4.26Å; I1842-I1878 HydrophobicContact CD1-CG1 4.36Å |
| 1843 | K | 66.5 | Low | 68.4 | Low | 181 Ų | 181 | 60.8 Ų | 60.8 | 79% | 0.787 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -82.9 | -29.6 | 178.5 | -76.1 | 177.5 | 175 | -167.1 | 0 | 114.1 | R1839 H1840 E1841 | R1839-K1843 WeakPolarHBondContact O-CB 3.38Å; R1839-K1843 WeakPolarHBondContact O-CD 3.48Å; R1839-K1843 WeakPolarHBondContact O-CG 3.11Å; R1839-K1843 PolarHBondContact O-N 3.22Å; H1840-K1843 CarbonylContact O-C 3.47Å; H1840-K1843 WeakPolarHBondContact O-CA 3.22Å; H1840-K1843 WeakPolarHBondContact O-CB 3.46Å; H1840-K1843 PolarHBondContact O-N 3.04Å; E1841-K1843 VanDerWaalsContact C-N 3.26Å; E1841-K1843 PolarHBondContact O-N 3.01Å |
| 1844 | S | 61.4 | Low | 69.4 | Low | 57 Ų | 57 | 57.5 Ų | 57.5 | 40% | 0.399 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -87.2 | -10.8 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | H1840 E1841 I1846 | H1840-S1844 PolarHBondContact O-N 2.99Å; H1840-S1844 PolarHBondContact O-OG 2.99Å; H1840-S1844 VanDerWaalsContact O-OG 3.09Å; E1841-S1844 WeakPolarHBondContact CA-OG 3.33Å; E1841-S1844 PolarHBondContact O-N 2.63Å; E1841-S1844 PolarHBondContact O-OG 3.48Å; S1844-I1846 PolarHBondContact O-N 3.37Å; S1844-I1846 VanDerWaalsContact O-N 3.08Å |
| 1845 | S | 60.3 | Low | 70.3 | Confident | 29 Ų | 29 | 56.8 Ų | 56.8 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | trans | -60.3 | 108.1 | 172.8 | 178.3 | 0 | 0 | 0 | 0 | 111.7 | E1841 C1847 G1848 | E1841-S1845 PolarHBondContact O-N 3.4Å; E1841-S1845 VanDerWaalsContact O-N 3.1Å; S1845-C1847 PolarHBondContact O-N 3.18Å; S1845-G1848 VanDerWaalsContact CB-O 3.31Å; S1845-G1848 WeakPolarHBondContact CB-O 3.45Å; S1845-G1848 PolarHBondContact O-N 2.93Å; S1845-G1848 PolarHBondContact OG-O 2.9Å | ||
| 1846 | I | 51.2 | Low | 70.9 | Confident | 181 Ų | 181 | 56.7 Ų | 56.7 | 93% | 0.928 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -24 | -179.4 | -59 | 169.9 | 0 | 0 | 0 | 112.5 | S1844 | S1844-I1846 PolarHBondContact O-N 3.37Å; S1844-I1846 VanDerWaalsContact O-N 3.08Å |
| 1847 | C | 49.8 | Very low | 70.9 | Confident | 52 Ų | 52 | 53.3 Ų | 53.3 | 35% | 0.351 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 24.9 | -179.4 | 41.3 | 0 | 0 | 0 | 0 | 113.3 | R1812 S1815 S1845 | R1812-C1847 PolarHBondContact NH2-O 3.26Å; S1815-C1847 VanDerWaalsContact CB-SG 3.52Å; S1815-C1847 PolarHBondContact O-SG 3.48Å; S1845-C1847 PolarHBondContact O-N 3.18Å |
| 1848 | G | 63.4 | Low | 70.6 | Confident | 35 Ų | 35 | 52.6 Ų | 52.6 | 36% | 0.361 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 74.4 | -179.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1812 S1845 | R1812-G1848 PolarHBondContact NH2-O 2.69Å; S1845-G1848 VanDerWaalsContact CB-O 3.31Å; S1845-G1848 WeakPolarHBondContact CB-O 3.45Å; S1845-G1848 PolarHBondContact O-N 2.93Å; S1845-G1848 PolarHBondContact OG-O 2.9Å |
| 1849 | N | 69.3 | Low | 70.2 | Confident | 103 Ų | 103 | 53.2 Ų | 53.2 | 55% | 0.551 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -43.8 | 123.1 | -171.4 | -60.7 | 1.3 | 0 | 0 | 0 | 112.8 | R1812 I1842 L1851 | R1812-N1849 VanDerWaalsContact CZ-O 3.32Å; R1812-N1849 PolarHBondContact NH1-O 3.01Å; R1812-N1849 PolarHBondContact NH2-O 2.98Å; I1842-N1849 HydrophobicContact CG2-CB 4.21Å; I1842-N1849 WeakPolarHBondContact CG2-OD1 3.45Å; N1849-L1851 PolarHBondContact O-N 3.36Å |
| 1850 | P | 76.2 | Confident | 69.5 | Low | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.019 | 28% | 0.282 | C | S | . | . | trans | -57.8 | 134.6 | -179.1 | 22.7 | -33.7 | 0 | 0 | 0 | 111.2 | A1816 A1818 I1842 T1881 | A1816-P1850 CarbonylContact O-C 3.56Å; A1818-P1850 HydrophobicContact CB-CB 3.72Å; A1818-P1850 HydrophobicContact CB-CG 3.97Å; I1842-P1850 HydrophobicContact CG1-CG 3.97Å; P1850-T1881 VanDerWaalsContact O-CG2 3.26Å; P1850-T1881 WeakPolarHBondContact O-CG2 3.19Å; P1850-T1881 PolarHBondContact O-OG1 3.35Å | ||
| 1851 | L | 80.6 | Confident | 68.8 | Low | 19 Ų | 19 | 50.7 Ų | 50.7 | 10% | 0.099 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -75.8 | -34.8 | 177.6 | -175.1 | 56.8 | 0 | 0 | 0 | 110.9 | V1805 V1808 D1809 A1816 N1849 Y1882 | V1805-L1851 HydrophobicContact CB-CD2 4.49Å; V1805-L1851 HydrophobicContact CG1-CD2 4.34Å; V1805-L1851 HydrophobicContact CG2-CD2 4.25Å; V1808-L1851 HydrophobicContact CB-CD2 4.2Å; V1808-L1851 HydrophobicContact CG1-CD1 4.29Å; V1808-L1851 HydrophobicContact CG1-CD2 4.09Å; D1809-L1851 HydrophobicContact CB-CD2 4.05Å; A1816-L1851 HydrophobicContact CB-CB 3.85Å; A1816-L1851 PolarHBondContact O-N 2.96Å; N1849-L1851 PolarHBondContact O-N 3.36Å; L1851-Y1882 HydrophobicContact CD1-CD2 4.06Å; L1851-Y1882 HydrophobicContact CD1-CE2 4.1Å; L1851-Y1882 HydrophobicContact CG-CD2 4.33Å; L1851-Y1882 WeakPolarHBondContact O-CD2 3.33Å; L1851-Y1882 PolarHBondContact O-N 3.15Å |
| 1852 | V | 86.7 | Confident | 68.4 | Low | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 135.3 | 175.5 | -166.9 | 0 | 0 | 0 | 0 | 110.2 | A1801 C1804 V1805 A1816 I1817 A1818 I1854 Y1882 I1884 | A1801-V1852 HydrophobicContact CB-CB 4.19Å; A1801-V1852 HydrophobicContact CB-CG1 3.69Å; A1801-V1852 HydrophobicContact CB-CG2 4.39Å; C1804-V1852 HydrophobicContact CB-CG2 4.33Å; V1805-V1852 HydrophobicContact CG2-CG2 3.75Å; A1816-V1852 PolarHBondContact O-N 2.88Å; I1817-V1852 WeakPolarHBondContact CA-O 3.49Å; I1817-V1852 HydrophobicContact CG1-CB 4.47Å; I1817-V1852 HydrophobicContact CG2-CB 4.5Å; A1818-V1852 PolarHBondContact N-O 3.07Å; V1852-I1854 HydrophobicContact CG1-CG1 4.47Å; V1852-Y1882 CarbonylContact C-O 3.59Å; V1852-Y1882 WeakPolarHBondContact CA-O 3.36Å; V1852-I1884 HydrophobicContact CG1-CD1 3.88Å; V1852-I1884 HydrophobicContact CG1-CG1 4.18Å |
| 1853 | L | 87.7 | Confident | 68.2 | Low | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 113 | 177.5 | -174 | 66.5 | 0 | 0 | 0 | 109.4 | A1818 L1820 I1838 L1855 I1878 T1881 Y1882 V1883 I1884 | A1818-L1853 HydrophobicContact CB-CD1 3.68Å; L1820-L1853 HydrophobicContact CD1-CD1 3.79Å; L1820-L1853 HydrophobicContact CG-CD1 4.13Å; I1838-L1853 HydrophobicContact CD1-CD2 4.29Å; I1838-L1853 HydrophobicContact CG1-CD2 4.36Å; I1838-L1853 HydrophobicContact CG2-CD2 4.06Å; L1853-L1855 HydrophobicContact CD1-CD2 4.42Å; L1853-L1855 HydrophobicContact CD2-CD2 4.07Å; L1853-L1855 HydrophobicContact CG-CD2 3.9Å; L1853-L1855 HydrophobicContact CG-CG 4.4Å; L1853-I1878 HydrophobicContact CD2-CG2 4.42Å; L1853-T1881 HydrophobicContact CB-CG2 3.76Å; L1853-Y1882 PolarHBondContact N-O 2.94Å; L1853-V1883 WeakPolarHBondContact O-CA 3.22Å; L1853-I1884 PolarHBondContact O-N 3.18Å |
| 1854 | I | 88.1 | Confident | 68.1 | Low | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 118.1 | 177.6 | -53.9 | 179.3 | 0 | 0 | 0 | 109 | A1797 L1798 A1801 I1817 A1818 L1820 V1852 Q1856 I1884 V1886 | A1797-I1854 HydrophobicContact CB-CD1 4.45Å; A1797-I1854 HydrophobicContact CB-CG2 4.18Å; L1798-I1854 HydrophobicContact CD2-CD1 3.73Å; L1798-I1854 HydrophobicContact CG-CD1 4.16Å; A1801-I1854 HydrophobicContact CB-CD1 3.84Å; A1801-I1854 HydrophobicContact CB-CG1 4.35Å; I1817-I1854 HydrophobicContact CG2-CD1 3.79Å; I1817-I1854 HydrophobicContact CG2-CG1 4.12Å; A1818-I1854 PolarHBondContact O-N 3.11Å; L1820-I1854 PolarHBondContact N-O 3.43Å; V1852-I1854 HydrophobicContact CG1-CG1 4.47Å; I1854-Q1856 HydrophobicContact CG2-CG 3.93Å; I1854-I1884 WeakPolarHBondContact CA-O 3.24Å; I1854-I1884 HydrophobicContact CG1-CB 4.5Å; I1854-V1886 HydrophobicContact CG2-CG2 4.34Å |
| 1855 | L | 84.5 | Confident | 68.5 | Low | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 102.3 | 178.8 | -58.8 | -174.4 | 0 | 0 | 0 | 109.5 | L1820 L1853 W1858 L1868 L1872 V1883 I1884 V1885 V1886 | L1820-L1855 HydrophobicContact CB-CD2 3.86Å; L1820-L1855 HydrophobicContact CD1-CD2 3.86Å; L1820-L1855 HydrophobicContact CG-CD2 4.35Å; L1853-L1855 HydrophobicContact CD1-CD2 4.42Å; L1853-L1855 HydrophobicContact CD2-CD2 4.07Å; L1853-L1855 HydrophobicContact CG-CD2 3.9Å; L1853-L1855 HydrophobicContact CG-CG 4.4Å; L1855-W1858 VanDerWaalsContact C-CD1 3.48Å; L1855-W1858 HydrophobicContact CB-CG 4.36Å; L1855-L1868 HydrophobicContact CD1-CD1 4.35Å; L1855-L1872 HydrophobicContact CD1-CD1 3.49Å; L1855-L1872 VanDerWaalsContact CD1-CD1 3.49Å; L1855-L1872 HydrophobicContact CD1-CD2 3.91Å; L1855-L1872 HydrophobicContact CD1-CG 4.33Å; L1855-V1883 HydrophobicContact CD1-CG1 4.07Å; L1855-V1883 HydrophobicContact CG-CG1 4.43Å; L1855-I1884 PolarHBondContact N-O 2.86Å; L1855-V1885 HydrophobicContact CD1-CG2 4.35Å; L1855-V1886 PolarHBondContact O-N 3.19Å |
| 1856 | Q | 79.6 | Confident | 68.9 | Low | 22 Ų | 22 | 49.4 Ų | 49.4 | 10% | 0.103 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.7 | 179.6 | -55.4 | -175.5 | 3.3 | 0 | 0 | 112 | N1794 I1819 L1820 N1821 G1822 I1854 W1858 | N1794-Q1856 VanDerWaalsContact CG-CD 3.41Å; N1794-Q1856 PolarHBondContact ND2-OE1 3.44Å; I1819-Q1856 HydrophobicContact CG2-CG 4.21Å; L1820-Q1856 PolarHBondContact O-N 3.45Å; N1821-Q1856 WeakPolarHBondContact CA-O 3.37Å; G1822-Q1856 PolarHBondContact N-O 2.8Å; I1854-Q1856 HydrophobicContact CG2-CG 3.93Å; Q1856-W1858 VanDerWaalsContact C-N 3.27Å; Q1856-W1858 PolarHBondContact O-N 3.34Å; Q1856-W1858 VanDerWaalsContact O-N 3.15Å; Q1856-W1858 PolarHBondContact O-NE1 3.49Å |
| 1857 | N | 68.2 | Low | 69.7 | Low | 43 Ų | 43 | 44.6 Ų | 44.6 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | S | Bend | trans | 59.2 | 20.5 | 171.5 | -54.2 | -53.8 | 0 | 0 | 0 | 116.9 | N1821 K1823 A1859 N1888 | N1821-N1857 PolarHBondContact OD1-ND2 2.96Å; K1823-N1857 HydrophobicContact CG-CB 4.09Å; N1857-A1859 VanDerWaalsContact C-N 3.26Å; N1857-A1859 PolarHBondContact O-N 3.39Å; N1857-N1888 PolarHBondContact OD1-ND2 3.11Å |
| 1858 | W | 63.5 | Low | 70.9 | Confident | 52 Ų | 52 | 42.6 Ų | 42.6 | 20% | 0.197 | 23% | 0.229 | C | C | . | . | trans | -77.5 | 5.5 | -174.3 | -74.1 | 91 | 0 | 0 | 0 | 116.6 | L1820 G1822 L1834 M1837 L1855 Q1856 L1868 | L1820-W1858 HydrophobicContact CB-CZ2 3.91Å; L1820-W1858 PolarHBondContact O-NE1 3.42Å; G1822-W1858 VanDerWaalsContact CA-CD2 3.49Å; G1822-W1858 VanDerWaalsContact CA-CE2 3.4Å; G1822-W1858 VanDerWaalsContact N-CE2 3.3Å; L1834-W1858 HydrophobicContact CD1-CD2 3.73Å; L1834-W1858 HydrophobicContact CD1-CE3 3.37Å; L1834-W1858 HydrophobicContact CD1-CH2 4.07Å; L1834-W1858 HydrophobicContact CD1-CZ2 4.38Å; L1834-W1858 HydrophobicContact CD1-CZ3 3.55Å; M1837-W1858 HydrophobicContact CE-CH2 3.36Å; M1837-W1858 HydrophobicContact CE-CZ2 3.5Å; M1837-W1858 HydrophobicContact CE-CZ3 4.44Å; M1837-W1858 HydrophobicContact SD-CH2 4.1Å; L1855-W1858 VanDerWaalsContact C-CD1 3.48Å; L1855-W1858 HydrophobicContact CB-CG 4.36Å; Q1856-W1858 VanDerWaalsContact C-N 3.27Å; Q1856-W1858 PolarHBondContact O-N 3.34Å; Q1856-W1858 VanDerWaalsContact O-N 3.15Å; Q1856-W1858 PolarHBondContact O-NE1 3.49Å; W1858-L1868 HydrophobicContact CB-CD1 4.42Å; W1858-L1868 HydrophobicContact CB-CD2 3.6Å | ||
| 1859 | A | 60.1 | Low | 71.5 | Confident | 15 Ų | 15 | 41.3 Ų | 41.3 | 12% | 0.124 | 21% | 0.214 | C | C | . | . | trans | -144.1 | 115.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | N1857 L1865 V1891 | N1857-A1859 VanDerWaalsContact C-N 3.26Å; N1857-A1859 PolarHBondContact O-N 3.39Å; A1859-L1865 HydrophobicContact CB-CB 3.78Å; A1859-L1865 HydrophobicContact CB-CD1 3.66Å; A1859-L1865 HydrophobicContact CB-CG 4.34Å; A1859-V1891 HydrophobicContact CB-CG2 4.23Å | ||
| 1860 | E | 55.6 | Low | 71.8 | Confident | 125 Ų | 125 | 38.7 Ų | 38.7 | 58% | 0.584 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -96.2 | -30.8 | 166.6 | -58.2 | -167.1 | 144.6 | 0 | 0 | 110.3 | K1823 | K1823-E1860 IonicContact NZ-OE1 3.88Š|
| 1861 | T | 56.4 | Low | 71.7 | Confident | 64 Ų | 64 | 39 Ų | 39 | 39% | 0.393 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -114.4 | 164.5 | 172.2 | 71 | 0 | 0 | 0 | 0 | 113.2 | Q1864 L1865 | T1861-Q1864 VanDerWaalsContact N-OE1 3.07Å; T1861-Q1864 VanDerWaalsContact OG1-CG 3.27Å; T1861-Q1864 WeakPolarHBondContact OG1-CG 3.3Å; T1861-Q1864 PolarHBondContact OG1-N 3.3Å; T1861-L1865 PolarHBondContact O-N 2.9Å |
| 1862 | E | 60.9 | Low | 71.5 | Confident | 59 Ų | 59 | 38.1 Ų | 38.1 | 28% | 0.276 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.9 | -42.1 | 178.6 | -171.7 | 169 | -141.5 | 0 | 0 | 112.2 | Q1864 L1865 S1866 K1894 | E1862-Q1864 VanDerWaalsContact C-N 3.35Å; E1862-Q1864 PolarHBondContact O-N 2.76Å; E1862-L1865 PolarHBondContact O-N 2.88Å; E1862-S1866 PolarHBondContact O-N 2.58Å; E1862-S1866 VanDerWaalsContact O-N 3.11Å; E1862-K1894 WeakPolarHBondContact OE1-CB 3.5Å; E1862-K1894 VanDerWaalsContact OE1-CD 3.25Å; E1862-K1894 WeakPolarHBondContact OE1-CD 3.39Å; E1862-K1894 WeakPolarHBondContact OE1-CG 3.31Å; E1862-K1894 IonicContact OE1-NZ 3.7Å; E1862-K1894 PolarHBondContact OE1-NZ 2.84Å; E1862-K1894 WeakPolarHBondContact OE2-CD 3.25Å; E1862-K1894 WeakPolarHBondContact OE2-CE 3.43Å; E1862-K1894 IonicContact OE2-NZ 3.57Å; E1862-K1894 PolarHBondContact OE2-NZ 3.01Å |
| 1863 | D | 63 | Low | 71 | Confident | 120 Ų | 120 | 39.6 Ų | 39.6 | 64% | 0.642 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -60.3 | -43.7 | 177.7 | -53 | -59.2 | 0 | 0 | 0 | 111.5 | L1865 S1866 E1867 | D1863-L1865 VanDerWaalsContact C-N 3.31Å; D1863-L1865 PolarHBondContact O-N 3.08Å; D1863-S1866 PolarHBondContact O-N 2.98Å; D1863-S1866 PolarHBondContact O-OG 2.88Å; D1863-E1867 PolarHBondContact O-N 3.43Å |
| 1864 | Q | 64.6 | Low | 70.1 | Confident | 83 Ų | 83 | 46.9 Ų | 46.9 | 39% | 0.388 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -57.8 | -41.2 | 176 | -75.1 | 169.4 | -6.5 | 0 | 0 | 112.1 | T1861 E1862 E1867 L1868 | T1861-Q1864 VanDerWaalsContact N-OE1 3.07Å; T1861-Q1864 VanDerWaalsContact OG1-CG 3.27Å; T1861-Q1864 WeakPolarHBondContact OG1-CG 3.3Å; T1861-Q1864 PolarHBondContact OG1-N 3.3Å; E1862-Q1864 VanDerWaalsContact C-N 3.35Å; E1862-Q1864 PolarHBondContact O-N 2.76Å; Q1864-E1867 PolarHBondContact O-N 2.82Å; Q1864-L1868 WeakPolarHBondContact O-CB 3.41Å; Q1864-L1868 PolarHBondContact O-N 3.39Å |
| 1865 | L | 69.4 | Low | 69.2 | Low | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.6 | -39.8 | 175.6 | -165.9 | 106.1 | 0 | 0 | 0 | 111 | A1859 T1861 E1862 D1863 L1868 L1869 A1887 V1891 A1895 | A1859-L1865 HydrophobicContact CB-CB 3.78Å; A1859-L1865 HydrophobicContact CB-CD1 3.66Å; A1859-L1865 HydrophobicContact CB-CG 4.34Å; T1861-L1865 PolarHBondContact O-N 2.9Å; E1862-L1865 PolarHBondContact O-N 2.88Å; D1863-L1865 VanDerWaalsContact C-N 3.31Å; D1863-L1865 PolarHBondContact O-N 3.08Å; L1865-L1868 WeakPolarHBondContact O-CB 3.32Å; L1865-L1868 PolarHBondContact O-N 3.38Å; L1865-L1869 HydrophobicContact CD2-CD1 3.61Å; L1865-L1869 HydrophobicContact CD2-CG 4.45Å; L1865-L1869 HydrophobicContact CG-CD1 4.03Å; L1865-L1869 HydrophobicContact CG-CG 4.34Å; L1865-L1869 WeakPolarHBondContact O-CB 3.34Å; L1865-L1869 WeakPolarHBondContact O-CG 3.4Å; L1865-L1869 PolarHBondContact O-N 3Å; L1865-A1887 HydrophobicContact CD1-CB 4.28Å; L1865-V1891 HydrophobicContact CB-CG1 4.03Å; L1865-V1891 HydrophobicContact CD1-CG1 4.22Å; L1865-V1891 HydrophobicContact CD2-CG1 3.79Å; L1865-V1891 HydrophobicContact CG-CG1 4.21Å; L1865-A1895 HydrophobicContact CD2-CB 4.36Å |
| 1866 | S | 67.4 | Low | 68.3 | Low | 52 Ų | 52 | 56 Ų | 56 | 36% | 0.364 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.5 | 77.1 | 0 | 0 | 0 | 0 | 112.4 | E1862 D1863 L1869 C1870 | E1862-S1866 PolarHBondContact O-N 2.58Å; E1862-S1866 VanDerWaalsContact O-N 3.11Å; D1863-S1866 PolarHBondContact O-N 2.98Å; D1863-S1866 PolarHBondContact O-OG 2.88Å; S1866-L1869 PolarHBondContact O-N 3.16Å; S1866-C1870 WeakPolarHBondContact O-CB 3.33Å; S1866-C1870 PolarHBondContact O-N 2.75Å; S1866-C1870 PolarHBondContact O-SG 3.4Å |
| 1867 | E | 69.7 | Low | 67.4 | Low | 80 Ų | 80 | 56.9 Ų | 56.9 | 37% | 0.374 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66.8 | -39.9 | 178 | -152.8 | -160.9 | 152.7 | 0 | 0 | 111.5 | S1831 D1863 Q1864 C1870 A1871 | S1831-E1867 WeakPolarHBondContact CB-OE1 3.41Å; S1831-E1867 PolarHBondContact N-OE1 3.33Å; S1831-E1867 PolarHBondContact OG-OE1 3.47Å; D1863-E1867 PolarHBondContact O-N 3.43Å; Q1864-E1867 PolarHBondContact O-N 2.82Å; E1867-C1870 WeakPolarHBondContact O-CB 3.32Å; E1867-A1871 WeakPolarHBondContact O-CB 3.41Å; E1867-A1871 PolarHBondContact O-N 3.2Å |
| 1868 | L | 74.1 | Confident | 67.4 | Low | 10 Ų | 10 | 54.9 Ų | 54.9 | 5% | 0.052 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.4 | -50.3 | 172.4 | 173 | 68 | 0 | 0 | 0 | 111.9 | L1834 L1855 W1858 Q1864 L1865 A1871 L1872 V1885 | L1834-L1868 HydrophobicContact CD1-CD1 3.43Å; L1834-L1868 VanDerWaalsContact CD1-CD1 3.43Å; L1834-L1868 HydrophobicContact CD2-CD1 3.62Å; L1834-L1868 HydrophobicContact CG-CD1 4.16Å; L1855-L1868 HydrophobicContact CD1-CD1 4.35Å; W1858-L1868 HydrophobicContact CB-CD1 4.42Å; W1858-L1868 HydrophobicContact CB-CD2 3.6Å; Q1864-L1868 WeakPolarHBondContact O-CB 3.41Å; Q1864-L1868 PolarHBondContact O-N 3.39Å; L1865-L1868 WeakPolarHBondContact O-CB 3.32Å; L1865-L1868 PolarHBondContact O-N 3.38Å; L1868-A1871 PolarHBondContact O-N 3.47Å; L1868-L1872 HydrophobicContact CD1-CD1 3.88Å; L1868-L1872 HydrophobicContact CD1-CG 4.35Å; L1868-L1872 HydrophobicContact CG-CD1 3.91Å; L1868-L1872 VanDerWaalsContact O-CG 3.22Å; L1868-L1872 WeakPolarHBondContact O-CG 3.22Å; L1868-L1872 PolarHBondContact O-N 3.02Å; L1868-V1885 HydrophobicContact CD2-CG1 4.44Å |
| 1869 | L | 76.3 | Confident | 67.6 | Low | 8 Ų | 8 | 55.8 Ų | 55.8 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.5 | -38.3 | -178.7 | -67.3 | 174.5 | 0 | 0 | 0 | 111.9 | I1784 L1865 S1866 A1871 L1872 A1873 V1885 H1902 F1905 | I1784-L1869 HydrophobicContact CD1-CD1 3.78Å; I1784-L1869 HydrophobicContact CD1-CD2 4Å; I1784-L1869 HydrophobicContact CG1-CD2 4.48Å; L1865-L1869 HydrophobicContact CD2-CD1 3.61Å; L1865-L1869 HydrophobicContact CD2-CG 4.45Å; L1865-L1869 HydrophobicContact CG-CD1 4.03Å; L1865-L1869 HydrophobicContact CG-CG 4.34Å; L1865-L1869 WeakPolarHBondContact O-CB 3.34Å; L1865-L1869 WeakPolarHBondContact O-CG 3.4Å; L1865-L1869 PolarHBondContact O-N 3Å; S1866-L1869 PolarHBondContact O-N 3.16Å; L1869-A1871 VanDerWaalsContact C-N 3.35Å; L1869-A1871 PolarHBondContact O-N 3.12Å; L1869-L1872 PolarHBondContact O-N 3.47Å; L1869-A1873 WeakPolarHBondContact O-CB 3.29Å; L1869-A1873 PolarHBondContact O-N 3.27Å; L1869-V1885 HydrophobicContact CD2-CG2 4.45Å; L1869-H1902 VanDerWaalsContact CB-CD2 3.47Å; L1869-H1902 WeakPolarHBondContact CB-CD2 3.11Å; L1869-F1905 HydrophobicContact CD2-CB 4.4Å; L1869-F1905 HydrophobicContact CD2-CD1 3.59Å; L1869-F1905 HydrophobicContact CD2-CD2 3.84Å; L1869-F1905 HydrophobicContact CD2-CE1 3.69Å; L1869-F1905 HydrophobicContact CD2-CE2 3.94Å; L1869-F1905 HydrophobicContact CD2-CG 3.68Å; L1869-F1905 HydrophobicContact CD2-CZ 3.87Å |
| 1870 | C | 74.8 | Confident | 68 | Low | 47 Ų | 47 | 60.5 Ų | 60.5 | 32% | 0.318 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -53.1 | -50.1 | 168 | -77.7 | 0 | 0 | 0 | 0 | 112 | S1866 E1867 L1872 A1873 Q1874 H1902 | S1866-C1870 WeakPolarHBondContact O-CB 3.33Å; S1866-C1870 PolarHBondContact O-N 2.75Å; S1866-C1870 PolarHBondContact O-SG 3.4Å; E1867-C1870 WeakPolarHBondContact O-CB 3.32Å; C1870-L1872 PolarHBondContact O-N 2.81Å; C1870-A1873 PolarHBondContact O-N 2.83Å; C1870-Q1874 VanDerWaalsContact O-CG 3.32Å; C1870-Q1874 WeakPolarHBondContact O-CG 3.29Å; C1870-Q1874 PolarHBondContact O-N 2.87Å; C1870-H1902 PolarHBondContact SG-CE1 2.74Å |
| 1871 | A | 73.9 | Confident | 69.4 | Low | 10 Ų | 10 | 54.8 Ų | 54.8 | 8% | 0.083 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.6 | -40.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L1834 E1867 L1868 L1869 Q1874 S1875 | L1834-A1871 HydrophobicContact CD2-CB 4.32Å; E1867-A1871 WeakPolarHBondContact O-CB 3.41Å; E1867-A1871 PolarHBondContact O-N 3.2Å; L1868-A1871 PolarHBondContact O-N 3.47Å; L1869-A1871 VanDerWaalsContact C-N 3.35Å; L1869-A1871 PolarHBondContact O-N 3.12Å; A1871-Q1874 PolarHBondContact O-N 3.1Å; A1871-S1875 VanDerWaalsContact O-CB 3.29Å; A1871-S1875 WeakPolarHBondContact O-CB 3.35Å; A1871-S1875 PolarHBondContact O-N 2.82Å; A1871-S1875 VanDerWaalsContact O-N 3.08Å |
| 1872 | L | 76.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.9 | -34 | 177.9 | -63.8 | 165.5 | 0 | 0 | 0 | 112.5 | R1782 L1834 I1838 L1855 L1868 L1869 C1870 I1878 V1883 F1905 | R1782-L1872 PolarHBondContact NH1-O 3.25Å; R1782-L1872 PolarHBondContact NH2-O 2.89Å; L1834-L1872 HydrophobicContact CD2-CD2 4.5Å; I1838-L1872 HydrophobicContact CD1-CD2 3.62Å; L1855-L1872 HydrophobicContact CD1-CD1 3.49Å; L1855-L1872 VanDerWaalsContact CD1-CD1 3.49Å; L1855-L1872 HydrophobicContact CD1-CD2 3.91Å; L1855-L1872 HydrophobicContact CD1-CG 4.33Å; L1868-L1872 HydrophobicContact CD1-CD1 3.88Å; L1868-L1872 HydrophobicContact CD1-CG 4.35Å; L1868-L1872 HydrophobicContact CG-CD1 3.91Å; L1868-L1872 VanDerWaalsContact O-CG 3.22Å; L1868-L1872 WeakPolarHBondContact O-CG 3.22Å; L1868-L1872 PolarHBondContact O-N 3.02Å; L1869-L1872 PolarHBondContact O-N 3.47Å; C1870-L1872 PolarHBondContact O-N 2.81Å; L1872-I1878 HydrophobicContact CD2-CD1 3.56Å; L1872-V1883 HydrophobicContact CD1-CG1 4.44Å; L1872-F1905 HydrophobicContact CB-CE2 4.25Å; L1872-F1905 HydrophobicContact CB-CZ 3.7Å; L1872-F1905 HydrophobicContact CD1-CE1 4.43Å; L1872-F1905 HydrophobicContact CD1-CZ 4.08Å |
| 1873 | A | 76 | Confident | 72.2 | Confident | 31 Ų | 31 | 50 Ų | 50 | 26% | 0.256 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.5 | -49.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | L1869 C1870 S1875 | L1869-A1873 WeakPolarHBondContact O-CB 3.29Å; L1869-A1873 PolarHBondContact O-N 3.27Å; C1870-A1873 PolarHBondContact O-N 2.83Å; A1873-S1875 VanDerWaalsContact C-N 3.32Å; A1873-S1875 PolarHBondContact O-N 2.93Å |
| 1874 | Q | 70.2 | Confident | 73.4 | Confident | 155 Ų | 155 | 44.3 Ų | 44.3 | 72% | 0.724 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -74.6 | -17.1 | -176.1 | -65.8 | 170.8 | 19.3 | 0 | 0 | 114.2 | C1870 A1871 Q1876 | C1870-Q1874 VanDerWaalsContact O-CG 3.32Å; C1870-Q1874 WeakPolarHBondContact O-CG 3.29Å; C1870-Q1874 PolarHBondContact O-N 2.87Å; A1871-Q1874 PolarHBondContact O-N 3.1Å; Q1874-Q1876 PolarHBondContact O-N 2.89Å; Q1874-Q1876 VanDerWaalsContact O-N 3.14Å |
| 1875 | S | 68.2 | Low | 74.4 | Confident | 15 Ų | 15 | 40.5 Ų | 40.5 | 11% | 0.105 | 23% | 0.227 | C | C | . | . | trans | -80.2 | 96.7 | -175.5 | -170.3 | 0 | 0 | 0 | 0 | 113.1 | A1871 A1873 A1877 I1878 | A1871-S1875 VanDerWaalsContact O-CB 3.29Å; A1871-S1875 WeakPolarHBondContact O-CB 3.35Å; A1871-S1875 PolarHBondContact O-N 2.82Å; A1871-S1875 VanDerWaalsContact O-N 3.08Å; A1873-S1875 VanDerWaalsContact C-N 3.32Å; A1873-S1875 PolarHBondContact O-N 2.93Å; S1875-A1877 PolarHBondContact O-N 2.68Å; S1875-I1878 PolarHBondContact O-N 3.44Å | ||
| 1876 | Q | 65.2 | Low | 75 | Confident | 176 Ų | 176 | 40.3 Ų | 40.3 | 82% | 0.822 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -52.4 | -28.5 | 173.7 | -66.8 | -177.7 | -7 | 0 | 0 | 113.5 | Q1874 I1878 S1879 | Q1874-Q1876 PolarHBondContact O-N 2.89Å; Q1874-Q1876 VanDerWaalsContact O-N 3.14Å; Q1876-I1878 PolarHBondContact O-N 2.86Å; Q1876-I1878 VanDerWaalsContact O-N 3.17Å; Q1876-S1879 WeakPolarHBondContact O-CB 3.43Å; Q1876-S1879 PolarHBondContact O-N 3.39Å; Q1876-S1879 PolarHBondContact O-OG 3.35Å |
| 1877 | A | 61.4 | Low | 75.2 | Confident | 41 Ų | 41 | 38.1 Ų | 38.1 | 34% | 0.339 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -64 | -15.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R1839 I1842 S1875 | R1839-A1877 HydrophobicContact CG-CB 4.42Å; I1842-A1877 HydrophobicContact CD1-CB 4.26Å; S1875-A1877 PolarHBondContact O-N 2.68Å |
| 1878 | I | 69.1 | Low | 75 | Confident | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -114.8 | 19.9 | -177 | -33.8 | 171.5 | 0 | 0 | 0 | 110.8 | R1782 I1838 I1842 L1853 L1872 S1875 Q1876 T1881 V1883 | R1782-I1878 PolarHBondContact NH2-O 3.27Å; I1838-I1878 HydrophobicContact CD1-CD1 4.24Å; I1838-I1878 HydrophobicContact CG2-CD1 3.77Å; I1838-I1878 HydrophobicContact CG2-CG1 4.09Å; I1842-I1878 HydrophobicContact CD1-CG1 4.36Å; L1853-I1878 HydrophobicContact CD2-CG2 4.42Å; L1872-I1878 HydrophobicContact CD2-CD1 3.56Å; S1875-I1878 PolarHBondContact O-N 3.44Å; Q1876-I1878 PolarHBondContact O-N 2.86Å; Q1876-I1878 VanDerWaalsContact O-N 3.17Å; I1878-T1881 HydrophobicContact CG2-CG2 4.06Å; I1878-V1883 HydrophobicContact CG2-CG2 3.54Å |
| 1879 | S | 65.9 | Low | 74.1 | Confident | 70 Ų | 70 | 39.8 Ų | 39.8 | 49% | 0.49 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -68.1 | -34.4 | -179 | 49.1 | 0 | 0 | 0 | 0 | 113.5 | R1781 Q1876 | R1781-S1879 PolarHBondContact NH1-O 2.78Å; R1781-S1879 VanDerWaalsContact NH1-O 3.08Å; Q1876-S1879 WeakPolarHBondContact O-CB 3.43Å; Q1876-S1879 PolarHBondContact O-N 3.39Å; Q1876-S1879 PolarHBondContact O-OG 3.35Å |
| 1880 | N | 70.4 | Confident | 73 | Confident | 114 Ų | 114 | 46 Ų | 46 | 61% | 0.61 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -108.7 | 13.1 | 179.8 | -75.3 | -38 | 0 | 0 | 0 | 114.4 | R1781 | R1781-N1880 PolarHBondContact NH1-OD1 3.45Š|
| 1881 | T | 84.6 | Confident | 72 | Confident | 6 Ų | 6 | 44 Ų | 44 | 4% | 0.037 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -108 | 134.4 | 178 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | P1850 L1853 I1878 | P1850-T1881 VanDerWaalsContact O-CG2 3.26Å; P1850-T1881 WeakPolarHBondContact O-CG2 3.19Å; P1850-T1881 PolarHBondContact O-OG1 3.35Å; L1853-T1881 HydrophobicContact CB-CG2 3.76Å; I1878-T1881 HydrophobicContact CG2-CG2 4.06Å |
| 1882 | Y | 87.8 | Confident | 70.9 | Confident | 22 Ų | 22 | 44 Ų | 44 | 9% | 0.086 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 131.1 | 171 | -69 | -97.5 | 0 | 0 | 0 | 109.5 | L1777 R1781 V1808 L1851 V1852 L1853 | L1777-Y1882 HydrophobicContact CD1-CD1 4.13Å; L1777-Y1882 HydrophobicContact CG-CD1 4.23Å; L1777-Y1882 WeakPolarHBondContact O-CD1 3.49Å; L1777-Y1882 WeakPolarHBondContact O-CE1 3.4Å; R1781-Y1882 HydrophobicContact CB-CD1 4.01Å; R1781-Y1882 HydrophobicContact CB-CE1 4.22Å; R1781-Y1882 HydrophobicContact CG-CD1 4.08Å; R1781-Y1882 HydrophobicContact CG-CE1 3.78Å; R1781-Y1882 CarbonylContact O-C 3.54Å; R1781-Y1882 VanDerWaalsContact O-CA 3.29Å; R1781-Y1882 WeakPolarHBondContact O-CA 3.26Å; V1808-Y1882 HydrophobicContact CG1-CE2 4.48Å; V1808-Y1882 HydrophobicContact CG2-CE2 4.27Å; L1851-Y1882 HydrophobicContact CD1-CD2 4.06Å; L1851-Y1882 HydrophobicContact CD1-CE2 4.1Å; L1851-Y1882 HydrophobicContact CG-CD2 4.33Å; L1851-Y1882 WeakPolarHBondContact O-CD2 3.33Å; L1851-Y1882 PolarHBondContact O-N 3.15Å; V1852-Y1882 CarbonylContact C-O 3.59Å; V1852-Y1882 WeakPolarHBondContact CA-O 3.36Å; L1853-Y1882 PolarHBondContact N-O 2.94Å |
| 1883 | V | 87.4 | Confident | 69.7 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 121.6 | -177.1 | -173.4 | 0 | 0 | 0 | 0 | 110.2 | R1781 R1782 V1783 L1853 L1855 L1872 I1878 V1885 F1905 | R1781-V1883 PolarHBondContact O-N 3.16Å; R1782-V1883 WeakPolarHBondContact CA-O 3.14Å; R1782-V1883 HydrophobicContact CG-CB 4.3Å; R1782-V1883 HydrophobicContact CG-CG2 4.41Å; V1783-V1883 PolarHBondContact N-O 3.32Å; L1853-V1883 WeakPolarHBondContact O-CA 3.22Å; L1855-V1883 HydrophobicContact CD1-CG1 4.07Å; L1855-V1883 HydrophobicContact CG-CG1 4.43Å; L1872-V1883 HydrophobicContact CD1-CG1 4.44Å; I1878-V1883 HydrophobicContact CG2-CG2 3.54Å; V1883-V1885 HydrophobicContact CG1-CG2 4.21Å; V1883-F1905 HydrophobicContact CB-CE1 4.45Å; V1883-F1905 HydrophobicContact CG1-CE1 4.19Å |
| 1884 | I | 88.4 | Confident | 68.3 | Low | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 106.9 | 176.8 | -53.4 | 177.9 | 0 | 0 | 0 | 108.7 | L1777 V1783 L1785 A1797 A1801 V1852 L1853 I1854 L1855 | L1777-I1884 HydrophobicContact CD1-CD1 4.19Å; L1777-I1884 HydrophobicContact CD1-CG1 3.8Å; L1777-I1884 HydrophobicContact CD2-CD1 3.79Å; L1777-I1884 HydrophobicContact CD2-CG1 4.35Å; V1783-I1884 WeakPolarHBondContact O-CA 3.46Å; L1785-I1884 HydrophobicContact CD1-CG2 3.56Å; L1785-I1884 HydrophobicContact CG-CG2 3.99Å; A1797-I1884 HydrophobicContact CB-CG2 3.96Å; A1801-I1884 HydrophobicContact CB-CD1 4.11Å; V1852-I1884 HydrophobicContact CG1-CD1 3.88Å; V1852-I1884 HydrophobicContact CG1-CG1 4.18Å; L1853-I1884 PolarHBondContact O-N 3.18Å; I1854-I1884 WeakPolarHBondContact CA-O 3.24Å; I1854-I1884 HydrophobicContact CG1-CB 4.5Å; L1855-I1884 PolarHBondContact N-O 2.86Å |
| 1885 | V | 85.6 | Confident | 67.2 | Low | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.012 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 124.8 | 175.1 | -170.1 | 0 | 0 | 0 | 0 | 109.2 | V1783 I1784 L1785 L1855 L1868 L1869 V1883 F1905 | V1783-V1885 PolarHBondContact O-N 3.16Å; I1784-V1885 CarbonylContact C-O 3.2Å; I1784-V1885 WeakPolarHBondContact CA-O 3.31Å; I1784-V1885 HydrophobicContact CB-CB 4.49Å; I1784-V1885 HydrophobicContact CG1-CB 4.18Å; I1784-V1885 HydrophobicContact CG1-CG2 4.39Å; I1784-V1885 HydrophobicContact CG2-CB 4.35Å; L1785-V1885 PolarHBondContact N-O 2.97Å; L1855-V1885 HydrophobicContact CD1-CG2 4.35Å; L1868-V1885 HydrophobicContact CD2-CG1 4.44Å; L1869-V1885 HydrophobicContact CD2-CG2 4.45Å; V1883-V1885 HydrophobicContact CG1-CG2 4.21Å; V1885-F1905 HydrophobicContact CG2-CE1 4.16Å |
| 1886 | V | 82.8 | Confident | 66.3 | Low | 5 Ų | 5 | 50.5 Ų | 50.5 | 3% | 0.03 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 107.9 | 175.3 | -177.7 | 0 | 0 | 0 | 0 | 109.3 | L1793 A1797 I1854 L1855 | L1793-V1886 HydrophobicContact CB-CG1 3.57Å; L1793-V1886 HydrophobicContact CD1-CG1 4.09Å; L1793-V1886 HydrophobicContact CG-CG1 4.49Å; A1797-V1886 HydrophobicContact CB-CG2 3.82Å; I1854-V1886 HydrophobicContact CG2-CG2 4.34Å; L1855-V1886 PolarHBondContact O-N 3.19Å |
| 1887 | A | 71.2 | Confident | 65.5 | Low | 5 Ų | 5 | 45.3 Ų | 45.3 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 133.1 | -171.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I1784 L1785 S1786 L1865 | I1784-A1887 HydrophobicContact CG2-CB 4.1Å; L1785-A1887 PolarHBondContact O-N 3.4Å; S1786-A1887 VanDerWaalsContact CB-O 3.3Å; S1786-A1887 WeakPolarHBondContact CB-O 3.38Å; S1786-A1887 PolarHBondContact OG-O 2.53Å; L1865-A1887 HydrophobicContact CD1-CB 4.28Å |
| 1888 | N | 65.4 | Low | 64.7 | Low | 80 Ų | 80 | 46.7 Ų | 46.7 | 43% | 0.428 | 26% | 0.256 | S | S | . | . | trans | -83.6 | 165.9 | -178.2 | -83.4 | -41.2 | 0 | 0 | 0 | 113.9 | N1857 L1890 V1891 | N1857-N1888 PolarHBondContact OD1-ND2 3.11Å; N1888-L1890 VanDerWaalsContact C-N 3.26Å; N1888-L1890 PolarHBondContact O-N 3.47Å; N1888-V1891 PolarHBondContact O-N 2.81Å | ||
| 1889 | R | 55 | Low | 63.7 | Low | 45 Ų | 45 | 48.8 Ų | 48.8 | 17% | 0.17 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -47 | -34.3 | -162.1 | -158.3 | -173.3 | -150.5 | -144.8 | 0.4 | 116.6 | P1788 Y1959 G1969 | P1788-R1889 PolarHBondContact O-NE 3.31Å; P1788-R1889 PolarHBondContact O-NH2 2.85Å; R1889-Y1959 PolarHBondContact NH2-OH 3Å; R1889-G1969 PolarHBondContact NH1-O 2.96Å |
| 1890 | L | 52.5 | Low | 62.7 | Low | 139 Ų | 139 | 51 Ų | 51 | 73% | 0.728 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.5 | -42.9 | -171.2 | -66 | 174.5 | 0 | 0 | 0 | 112.8 | N1888 | N1888-L1890 VanDerWaalsContact C-N 3.26Å; N1888-L1890 PolarHBondContact O-N 3.47Å |
| 1891 | V | 53.7 | Low | 61.7 | Low | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -74.3 | -31 | -174.2 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | A1859 L1865 N1888 K1893 K1894 A1895 | A1859-V1891 HydrophobicContact CB-CG2 4.23Å; L1865-V1891 HydrophobicContact CB-CG1 4.03Å; L1865-V1891 HydrophobicContact CD1-CG1 4.22Å; L1865-V1891 HydrophobicContact CD2-CG1 3.79Å; L1865-V1891 HydrophobicContact CG-CG1 4.21Å; N1888-V1891 PolarHBondContact O-N 2.81Å; V1891-K1893 PolarHBondContact O-N 2.8Å; V1891-K1894 PolarHBondContact O-N 2.89Å; V1891-A1895 HydrophobicContact CG1-CB 3.79Å; V1891-A1895 VanDerWaalsContact O-CB 3.22Å; V1891-A1895 WeakPolarHBondContact O-CB 2.99Å; V1891-A1895 PolarHBondContact O-N 2.85Å |
| 1892 | A | 51.7 | Low | 60.5 | Low | 10 Ų | 10 | 52.8 Ų | 52.8 | 8% | 0.083 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.5 | -38 | -168.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | K1894 S1896 Y1907 | A1892-K1894 PolarHBondContact O-N 2.81Å; A1892-S1896 PolarHBondContact O-N 3.26Å; A1892-Y1907 VanDerWaalsContact CA-OH 3.23Å; A1892-Y1907 WeakPolarHBondContact CA-OH 2.95Å; A1892-Y1907 WeakPolarHBondContact CB-OH 3.43Å |
| 1893 | K | 51.2 | Low | 59.1 | Low | 152 Ų | 152 | 60.2 Ų | 60.2 | 66% | 0.661 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -68.4 | -18.6 | -174.8 | -80.3 | -170.9 | 174.8 | -176.1 | 0 | 114 | V1891 | V1891-K1893 PolarHBondContact O-N 2.8Å |
| 1894 | K | 46 | Very low | 58.2 | Low | 106 Ų | 106 | 64.5 Ų | 64.5 | 46% | 0.461 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -126 | -34 | -172 | -165.1 | -178.6 | 157.2 | -66.5 | 0 | 113 | E1862 V1891 A1892 S1896 A1897 D1898 | E1862-K1894 WeakPolarHBondContact OE1-CB 3.5Å; E1862-K1894 VanDerWaalsContact OE1-CD 3.25Å; E1862-K1894 WeakPolarHBondContact OE1-CD 3.39Å; E1862-K1894 WeakPolarHBondContact OE1-CG 3.31Å; E1862-K1894 IonicContact OE1-NZ 3.7Å; E1862-K1894 PolarHBondContact OE1-NZ 2.84Å; E1862-K1894 WeakPolarHBondContact OE2-CD 3.25Å; E1862-K1894 WeakPolarHBondContact OE2-CE 3.43Å; E1862-K1894 IonicContact OE2-NZ 3.57Å; E1862-K1894 PolarHBondContact OE2-NZ 3.01Å; V1891-K1894 PolarHBondContact O-N 2.89Å; A1892-K1894 PolarHBondContact O-N 2.81Å; K1894-S1896 PolarHBondContact O-N 2.76Å; K1894-S1896 VanDerWaalsContact O-N 3.09Å; K1894-A1897 WeakPolarHBondContact O-CB 3.38Å; K1894-A1897 PolarHBondContact O-N 3.34Å; K1894-D1898 IonicContact NZ-OD2 3.68Å; K1894-D1898 PolarHBondContact NZ-OD2 3.47Å; K1894-D1898 VanDerWaalsContact NZ-OD2 3.11Å; K1894-D1898 PolarHBondContact O-N 3.22Å |
| 1895 | A | 47.4 | Very low | 57.5 | Low | 10 Ų | 10 | 65 Ų | 65 | 8% | 0.083 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -19.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1865 V1891 A1897 D1898 A1899 Y1907 | L1865-A1895 HydrophobicContact CD2-CB 4.36Å; V1891-A1895 HydrophobicContact CG1-CB 3.79Å; V1891-A1895 VanDerWaalsContact O-CB 3.22Å; V1891-A1895 WeakPolarHBondContact O-CB 2.99Å; V1891-A1895 PolarHBondContact O-N 2.85Å; A1895-A1897 PolarHBondContact O-N 3.33Å; A1895-D1898 PolarHBondContact O-N 2.92Å; A1895-A1899 WeakPolarHBondContact O-CB 3.42Å; A1895-A1899 PolarHBondContact O-N 3.14Å; A1895-Y1907 HydrophobicContact CB-CE2 4.49Å |
| 1896 | S | 48.9 | Very low | 57.1 | Low | 71 Ų | 71 | 70.3 Ų | 70.3 | 50% | 0.497 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.5 | -15 | 170.3 | -173.5 | 0 | 0 | 0 | 0 | 114.2 | A1892 K1894 | A1892-S1896 PolarHBondContact O-N 3.26Å; K1894-S1896 PolarHBondContact O-N 2.76Å; K1894-S1896 VanDerWaalsContact O-N 3.09Å |
| 1897 | A | 49.5 | Very low | 56.7 | Low | 67 Ų | 67 | 72 Ų | 72 | 55% | 0.554 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -92.7 | -44.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | K1894 A1895 A1899 | K1894-A1897 WeakPolarHBondContact O-CB 3.38Å; K1894-A1897 PolarHBondContact O-N 3.34Å; A1895-A1897 PolarHBondContact O-N 3.33Å; A1897-A1899 PolarHBondContact O-N 3.46Å |
| 1898 | D | 44.2 | Very low | 56.9 | Low | 70 Ų | 70 | 72.2 Ų | 72.2 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -74.4 | -2.7 | -179.7 | -69.9 | -35.3 | 0 | 0 | 0 | 113.6 | K1894 A1895 Q1900 L1901 | K1894-D1898 IonicContact NZ-OD2 3.68Å; K1894-D1898 PolarHBondContact NZ-OD2 3.47Å; K1894-D1898 VanDerWaalsContact NZ-OD2 3.11Å; K1894-D1898 PolarHBondContact O-N 3.22Å; A1895-D1898 PolarHBondContact O-N 2.92Å; D1898-Q1900 PolarHBondContact O-N 3.42Å; D1898-L1901 HydrophobicContact CB-CD1 4.04Å; D1898-L1901 WeakPolarHBondContact O-CB 3.29Å; D1898-L1901 PolarHBondContact O-N 3.35Å |
| 1899 | A | 47.3 | Very low | 57 | Low | 45 Ų | 45 | 72.8 Ų | 72.8 | 37% | 0.372 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -58.4 | -12.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | A1895 A1897 L1901 | A1895-A1899 WeakPolarHBondContact O-CB 3.42Å; A1895-A1899 PolarHBondContact O-N 3.14Å; A1897-A1899 PolarHBondContact O-N 3.46Å; A1899-L1901 PolarHBondContact O-N 3.47Å |
| 1900 | Q | 45.2 | Very low | 57.4 | Low | 116 Ų | 116 | 70.7 Ų | 70.7 | 54% | 0.542 | 36% | 0.363 | S | S | . | . | G | 310 helix | trans | -68.4 | -19.6 | 170.1 | -68.1 | -176 | -27 | 0 | 0 | 113.3 | L1263 D1898 | L1263-Q1900 PolarHBondContact O-NE2 3.43Å; D1898-Q1900 PolarHBondContact O-N 3.42Å |
| 1901 | L | 48.8 | Very low | 57.7 | Low | 122 Ų | 122 | 65.2 Ų | 65.2 | 64% | 0.639 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -74.2 | -26.2 | -179.5 | -76.5 | 151.9 | 0 | 0 | 0 | 113.9 | D1898 A1899 | D1898-L1901 HydrophobicContact CB-CD1 4.04Å; D1898-L1901 WeakPolarHBondContact O-CB 3.29Å; D1898-L1901 PolarHBondContact O-N 3.35Å; A1899-L1901 PolarHBondContact O-N 3.47Å |
| 1902 | H | 59.5 | Low | 57.9 | Low | 37 Ų | 37 | 69.9 Ų | 69.9 | 17% | 0.171 | 36% | 0.358 | C | S | . | . | trans | -132.5 | 73.3 | -175.6 | -64.7 | -49.8 | 0 | 0 | 0 | 112 | L1869 C1870 E1904 F1905 | L1869-H1902 VanDerWaalsContact CB-CD2 3.47Å; L1869-H1902 WeakPolarHBondContact CB-CD2 3.11Å; C1870-H1902 PolarHBondContact SG-CE1 2.74Å; H1902-E1904 PolarHBondContact O-N 2.91Å; H1902-F1905 HydrophobicContact CB-CD2 4.48Å; H1902-F1905 PolarHBondContact O-N 3.47Å | ||
| 1903 | Q | 60.3 | Low | 58.4 | Low | 178 Ų | 178 | 73.6 Ų | 73.6 | 83% | 0.832 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -22.4 | -178.1 | -60.1 | -174.6 | 6.2 | 0 | 0 | 114.4 | ||
| 1904 | E | 67 | Low | 59.1 | Low | 90 Ų | 90 | 67 Ų | 67 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -31.6 | 174.4 | -63.9 | -176.6 | -168.4 | 0 | 0 | 114.1 | R1782 H1902 | R1782-E1904 WeakPolarHBondContact CB-O 3.36Å; R1782-E1904 IonicContact CZ-OE2 2.77Å; R1782-E1904 IonicContact NE-OE2 3.18Å; R1782-E1904 IonicContact NH1-OE2 3.66Å; R1782-E1904 PolarHBondContact NH1-OE2 3.01Å; H1902-E1904 PolarHBondContact O-N 2.91Å |
| 1905 | F | 74.1 | Confident | 60.4 | Low | 12 Ų | 12 | 67.8 Ų | 67.8 | 5% | 0.053 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -102.2 | 112.2 | -170.4 | -79.1 | -92.9 | 0 | 0 | 0 | 111.5 | R1782 I1784 L1869 L1872 V1883 V1885 H1902 Y1907 | R1782-F1905 HydrophobicContact CB-CD1 3.81Å; R1782-F1905 HydrophobicContact CB-CE1 3.87Å; R1782-F1905 HydrophobicContact CB-CG 4.17Å; R1782-F1905 HydrophobicContact CB-CZ 4.27Å; R1782-F1905 HydrophobicContact CG-CE1 4.29Å; R1782-F1905 HydrophobicContact CG-CZ 4.31Å; I1784-F1905 HydrophobicContact CD1-CB 4.02Å; I1784-F1905 HydrophobicContact CD1-CD1 4.5Å; I1784-F1905 HydrophobicContact CG1-CB 4.25Å; I1784-F1905 HydrophobicContact CG1-CD1 4.13Å; L1869-F1905 HydrophobicContact CD2-CB 4.4Å; L1869-F1905 HydrophobicContact CD2-CD1 3.59Å; L1869-F1905 HydrophobicContact CD2-CD2 3.84Å; L1869-F1905 HydrophobicContact CD2-CE1 3.69Å; L1869-F1905 HydrophobicContact CD2-CE2 3.94Å; L1869-F1905 HydrophobicContact CD2-CG 3.68Å; L1869-F1905 HydrophobicContact CD2-CZ 3.87Å; L1872-F1905 HydrophobicContact CB-CE2 4.25Å; L1872-F1905 HydrophobicContact CB-CZ 3.7Å; L1872-F1905 HydrophobicContact CD1-CE1 4.43Å; L1872-F1905 HydrophobicContact CD1-CZ 4.08Å; V1883-F1905 HydrophobicContact CB-CE1 4.45Å; V1883-F1905 HydrophobicContact CG1-CE1 4.19Å; V1885-F1905 HydrophobicContact CG2-CE1 4.16Å; H1902-F1905 HydrophobicContact CB-CD2 4.48Å; H1902-F1905 PolarHBondContact O-N 3.47Å; F1905-Y1907 PolarHBondContact O-N 2.88Å |
| 1906 | R | 78.3 | Confident | 61.8 | Low | 113 Ų | 113 | 68.6 Ų | 68.6 | 43% | 0.426 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 123.2 | 175.2 | -141.9 | -156.4 | -155.9 | 117.5 | 0.8 | 111.4 | I1776 Q1780 R1782 I1784 | I1776-R1906 HydrophobicContact CG2-CB 4.01Å; I1776-R1906 HydrophobicContact CG2-CG 4.4Å; Q1780-R1906 VanDerWaalsContact OE1-CB 3.26Å; R1782-R1906 PolarHBondContact O-N 3.43Å; I1784-R1906 PolarHBondContact N-O 3.12Å |
| 1907 | Y | 73.6 | Confident | 63.1 | Low | 41 Ų | 41 | 65.3 Ų | 65.3 | 16% | 0.161 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 129.6 | 169.2 | -148.5 | -85.5 | 0 | 0 | 0 | 111.2 | I1784 S1786 A1892 A1895 F1905 L1909 | I1784-Y1907 HydrophobicContact CB-CD2 4.01Å; I1784-Y1907 HydrophobicContact CB-CE2 4.18Å; I1784-Y1907 HydrophobicContact CD1-CD2 4.08Å; I1784-Y1907 HydrophobicContact CD1-CE2 4.44Å; I1784-Y1907 HydrophobicContact CG2-CD2 4.01Å; I1784-Y1907 HydrophobicContact CG2-CE2 3.64Å; S1786-Y1907 WeakPolarHBondContact CB-OH 3.49Å; S1786-Y1907 PolarHBondContact OG-OH 2.78Å; A1892-Y1907 VanDerWaalsContact CA-OH 3.23Å; A1892-Y1907 WeakPolarHBondContact CA-OH 2.95Å; A1892-Y1907 WeakPolarHBondContact CB-OH 3.43Å; A1895-Y1907 HydrophobicContact CB-CE2 4.49Å; F1905-Y1907 PolarHBondContact O-N 2.88Å; Y1907-L1909 HydrophobicContact CD1-CG 4.21Å; Y1907-L1909 HydrophobicContact CE1-CD2 3.89Å; Y1907-L1909 HydrophobicContact CE1-CG 4.1Å |
| 1908 | V | 74.9 | Confident | 64.9 | Low | 8 Ų | 8 | 65.8 Ų | 65.8 | 5% | 0.048 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 103.4 | 179.7 | 175.5 | 0 | 0 | 0 | 0 | 109.6 | Y1773 I1776 V1783 I1784 L1785 S1786 S1910 | Y1773-V1908 HydrophobicContact CD1-CG1 3.41Å; Y1773-V1908 VanDerWaalsContact CD1-CG1 3.41Å; Y1773-V1908 HydrophobicContact CE1-CG1 3.44Å; Y1773-V1908 VanDerWaalsContact CE1-CG1 3.44Å; Y1773-V1908 HydrophobicContact CG-CG1 4.31Å; I1776-V1908 HydrophobicContact CD1-CG2 4.12Å; I1776-V1908 HydrophobicContact CG2-CG2 3.77Å; V1783-V1908 HydrophobicContact CG1-CB 4.12Å; V1783-V1908 HydrophobicContact CG1-CG2 3.67Å; I1784-V1908 PolarHBondContact O-N 2.82Å; L1785-V1908 HydrophobicContact CD2-CB 4.11Å; L1785-V1908 HydrophobicContact CD2-CG1 3.94Å; S1786-V1908 PolarHBondContact N-O 2.97Å; V1908-S1910 PolarHBondContact O-N 3.34Å |
| 1909 | L | 67.7 | Low | 66.8 | Low | 93 Ų | 93 | 64 Ų | 64 | 49% | 0.487 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 116.9 | 169.1 | -73.2 | 167.4 | 0 | 0 | 0 | 109.8 | Y1773 S1786 P1788 Y1907 | Y1773-L1909 PolarHBondContact OH-O 3.27Å; S1786-L1909 WeakPolarHBondContact O-CA 3.48Å; P1788-L1909 HydrophobicContact CG-CD2 4.5Å; Y1907-L1909 HydrophobicContact CD1-CG 4.21Å; Y1907-L1909 HydrophobicContact CE1-CD2 3.89Å; Y1907-L1909 HydrophobicContact CE1-CG 4.1Å |
| 1910 | S | 63.3 | Low | 68.7 | Low | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | trans | -84.8 | 113.7 | 178.3 | -171 | 0 | 0 | 0 | 0 | 110.4 | Y1773 S1786 C1787 V1908 | Y1773-S1910 WeakPolarHBondContact OH-CA 3.27Å; S1786-S1910 WeakPolarHBondContact O-CB 3.45Å; S1786-S1910 PolarHBondContact O-N 3.02Å; C1787-S1910 PolarHBondContact SG-O 2.77Å; V1908-S1910 PolarHBondContact O-N 3.34Å | ||
| 1911 | M | 59.9 | Low | 70.8 | Confident | 25 Ų | 25 | 57.9 Ų | 57.9 | 12% | 0.123 | 28% | 0.279 | C | S | . | . | S | Bend | trans | 61.2 | 146.6 | 178.9 | -61.4 | -156.2 | 135 | 0 | 0 | 117.8 | I1765 Y1773 M1791 A1916 | I1765-M1911 HydrophobicContact CB-CE 4.34Å; I1765-M1911 HydrophobicContact CD1-CE 4.34Å; I1765-M1911 HydrophobicContact CG1-CE 3.86Å; I1765-M1911 HydrophobicContact CG2-CE 3.95Å; Y1773-M1911 PolarHBondContact OH-N 3.46Å; M1791-M1911 HydrophobicContact CE-CB 4.46Å; M1791-M1911 HydrophobicContact CE-CG 4.26Å; M1791-M1911 HydrophobicContact CE-SD 4.04Å; M1911-A1916 HydrophobicContact CB-CB 3.97Å; M1911-A1916 HydrophobicContact CE-CB 4Å; M1911-A1916 HydrophobicContact CG-CB 4.2Å; M1911-A1916 HydrophobicContact SD-CB 3.79Å |
| 1912 | D | 56.6 | Low | 72.8 | Confident | 101 Ų | 101 | 54.4 Ų | 54.4 | 54% | 0.54 | 26% | 0.259 | S | S | . | . | trans | -79.3 | 146.2 | 171.5 | -167.8 | 9.8 | 0 | 0 | 0 | 110.5 | G1914 | D1912-G1914 PolarHBondContact O-N 2.9Š| ||
| 1913 | Q | 62.3 | Low | 74.3 | Confident | 89 Ų | 89 | 52.7 Ų | 52.7 | 42% | 0.416 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | 4 | -132.1 | -51 | -166 | 28.9 | 0 | 0 | 117.1 | P1788 Y1959 | P1788-Q1913 HydrophobicContact CB-CG 4.24Å; P1788-Q1913 HydrophobicContact CG-CG 4.16Å; Q1913-Y1959 WeakPolarHBondContact O-CE1 3.25Å; Q1913-Y1959 PolarHBondContact O-OH 2.82Å |
| 1914 | G | 65.7 | Low | 75.7 | Confident | 12 Ų | 12 | 45.8 Ų | 45.8 | 12% | 0.124 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -167.7 | -35.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1912 A1916 S1917 R1918 W1955 | D1912-G1914 PolarHBondContact O-N 2.9Å; G1914-A1916 VanDerWaalsContact C-N 3.33Å; G1914-A1916 PolarHBondContact O-N 3.24Å; G1914-S1917 PolarHBondContact O-N 2.86Å; G1914-R1918 WeakPolarHBondContact O-CB 3.35Å; G1914-R1918 PolarHBondContact O-N 3.16Å; G1914-W1955 WeakPolarHBondContact O-CZ3 3.26Å |
| 1915 | E | 74 | Confident | 76.9 | Confident | 123 Ų | 123 | 41.5 Ų | 41.5 | 58% | 0.575 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -66.5 | -35.9 | -177.2 | -63.8 | -132.1 | 111.7 | 0 | 0 | 112.8 | R1918 D1919 | E1915-R1918 IonicContact OE1-CZ 2.84Å; E1915-R1918 VanDerWaalsContact OE1-CZ 3.29Å; E1915-R1918 IonicContact OE1-NH1 2.97Å; E1915-R1918 PolarHBondContact OE1-NH1 2.69Å; E1915-R1918 IonicContact OE1-NH2 2.84Å; E1915-R1918 PolarHBondContact OE1-NH2 2.88Å; E1915-R1918 IonicContact OE2-NH2 2.61Å; E1915-D1919 PolarHBondContact O-N 2.81Å |
| 1916 | A | 76 | Confident | 77.6 | Confident | 27 Ų | 27 | 43.4 Ų | 43.4 | 22% | 0.223 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.6 | -40 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | M1911 G1914 R1918 D1919 R1920 | M1911-A1916 HydrophobicContact CB-CB 3.97Å; M1911-A1916 HydrophobicContact CE-CB 4Å; M1911-A1916 HydrophobicContact CG-CB 4.2Å; M1911-A1916 HydrophobicContact SD-CB 3.79Å; G1914-A1916 VanDerWaalsContact C-N 3.33Å; G1914-A1916 PolarHBondContact O-N 3.24Å; A1916-R1918 VanDerWaalsContact C-N 3.33Å; A1916-R1918 PolarHBondContact O-N 2.61Å; A1916-D1919 PolarHBondContact O-N 2.7Å; A1916-R1920 PolarHBondContact O-N 3.19Å |
| 1917 | S | 77.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 40 Ų | 40 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.5 | -37.5 | 172 | -56.7 | 0 | 0 | 0 | 0 | 112 | M1791 G1914 R1920 L1921 | M1791-S1917 PolarHBondContact SD-OG 3.46Å; M1791-S1917 VanDerWaalsContact SD-OG 3.39Å; G1914-S1917 PolarHBondContact O-N 2.86Å; S1917-R1920 PolarHBondContact O-N 2.95Å; S1917-L1921 WeakPolarHBondContact O-CB 3.34Å; S1917-L1921 PolarHBondContact O-N 2.99Å |
| 1918 | R | 85.7 | Confident | 78.9 | Confident | 77 Ų | 77 | 41.1 Ų | 41.1 | 29% | 0.291 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -45.5 | 172 | -179 | -164.8 | 66.5 | -154.2 | -9.2 | 112 | G1914 E1915 A1916 L1921 F1922 P1952 W1955 | G1914-R1918 WeakPolarHBondContact O-CB 3.35Å; G1914-R1918 PolarHBondContact O-N 3.16Å; E1915-R1918 IonicContact OE1-CZ 2.84Å; E1915-R1918 VanDerWaalsContact OE1-CZ 3.29Å; E1915-R1918 IonicContact OE1-NH1 2.97Å; E1915-R1918 PolarHBondContact OE1-NH1 2.69Å; E1915-R1918 IonicContact OE1-NH2 2.84Å; E1915-R1918 PolarHBondContact OE1-NH2 2.88Å; E1915-R1918 IonicContact OE2-NH2 2.61Å; A1916-R1918 VanDerWaalsContact C-N 3.33Å; A1916-R1918 PolarHBondContact O-N 2.61Å; R1918-L1921 PolarHBondContact O-N 3.07Å; R1918-F1922 WeakPolarHBondContact O-CB 3.45Å; R1918-F1922 PolarHBondContact O-N 2.82Å; R1918-P1952 HydrophobicContact CG-CB 3.95Å; R1918-W1955 HydrophobicContact CB-CE3 4.36Å; R1918-W1955 HydrophobicContact CB-CZ3 4.18Å |
| 1919 | D | 85.3 | Confident | 79.5 | Confident | 33 Ų | 33 | 41 Ų | 41 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.5 | -43.9 | 176.9 | -172.2 | 37.9 | 0 | 0 | 0 | 111.1 | N1703 E1915 A1916 F1922 K1923 | N1703-D1919 PolarHBondContact ND2-OD2 2.77Å; E1915-D1919 PolarHBondContact O-N 2.81Å; A1916-D1919 PolarHBondContact O-N 2.7Å; D1919-F1922 PolarHBondContact O-N 3.37Å; D1919-K1923 WeakPolarHBondContact O-CB 3.31Å; D1919-K1923 WeakPolarHBondContact O-CD 3.14Å; D1919-K1923 VanDerWaalsContact O-CG 3.29Å; D1919-K1923 WeakPolarHBondContact O-CG 3.49Å; D1919-K1923 PolarHBondContact O-N 2.99Å; D1919-K1923 WeakPolarHBondContact OD1-CE 3.21Å; D1919-K1923 IonicContact OD1-NZ 2.7Å; D1919-K1923 PolarHBondContact OD1-NZ 2.98Å; D1919-K1923 WeakPolarHBondContact OD2-CE 3.22Å; D1919-K1923 IonicContact OD2-NZ 2.66Å; D1919-K1923 PolarHBondContact OD2-NZ 2.89Å |
| 1920 | R | 86.4 | Confident | 80.4 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 10% | 0.098 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -49.8 | 173.6 | -175.1 | -178.1 | 179.7 | -121.8 | 8.3 | 112 | N1792 A1916 S1917 F1922 K1923 V1924 D1975 | N1792-R1920 VanDerWaalsContact OD1-CZ 3.26Å; N1792-R1920 PolarHBondContact OD1-NH1 2.81Å; N1792-R1920 PolarHBondContact OD1-NH2 2.9Å; A1916-R1920 PolarHBondContact O-N 3.19Å; S1917-R1920 PolarHBondContact O-N 2.95Å; R1920-F1922 PolarHBondContact O-N 3.03Å; R1920-K1923 PolarHBondContact O-N 3.26Å; R1920-V1924 WeakPolarHBondContact O-CG2 3.19Å; R1920-V1924 PolarHBondContact O-N 3.32Å; R1920-D1975 IonicContact NH1-OD1 2.69Å; R1920-D1975 PolarHBondContact NH1-OD1 3.41Å |
| 1921 | L | 89.3 | Confident | 81.3 | Confident | 6 Ų | 6 | 37.7 Ų | 37.7 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.1 | -45.9 | 178.8 | 176.2 | 59 | 0 | 0 | 0 | 111.7 | S1917 R1918 K1923 V1924 L1925 P1952 W1955 P1974 F1977 V1978 | S1917-L1921 WeakPolarHBondContact O-CB 3.34Å; S1917-L1921 PolarHBondContact O-N 2.99Å; R1918-L1921 PolarHBondContact O-N 3.07Å; L1921-K1923 PolarHBondContact O-N 3.36Å; L1921-V1924 PolarHBondContact O-N 3.17Å; L1921-L1925 HydrophobicContact CD1-CD1 3.96Å; L1921-L1925 HydrophobicContact CD1-CG 4.09Å; L1921-L1925 HydrophobicContact CG-CD1 4.12Å; L1921-L1925 WeakPolarHBondContact O-CB 3.27Å; L1921-L1925 WeakPolarHBondContact O-CG 3.29Å; L1921-L1925 PolarHBondContact O-N 3.02Å; L1921-P1952 HydrophobicContact CD2-CB 4.41Å; L1921-P1952 HydrophobicContact CG-CG 4.31Å; L1921-W1955 HydrophobicContact CD2-CB 4.09Å; L1921-W1955 HydrophobicContact CD2-CG 4.31Å; L1921-P1974 HydrophobicContact CD2-CB 4.29Å; L1921-F1977 HydrophobicContact CD1-CB 3.96Å; L1921-F1977 HydrophobicContact CD2-CB 3.92Å; L1921-F1977 HydrophobicContact CD2-CG 4.47Å; L1921-V1978 HydrophobicContact CD1-CG2 3.7Å |
| 1922 | F | 90.8 | Very high | 82.4 | Confident | 49 Ų | 49 | 36.8 Ų | 36.8 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -56.6 | -47.8 | 175.2 | 175.8 | -93.1 | 0 | 0 | 0 | 111.9 | R1918 D1919 R1920 L1925 R1926 D1949 P1952 | R1918-F1922 WeakPolarHBondContact O-CB 3.45Å; R1918-F1922 PolarHBondContact O-N 2.82Å; D1919-F1922 PolarHBondContact O-N 3.37Å; R1920-F1922 PolarHBondContact O-N 3.03Å; F1922-L1925 PolarHBondContact O-N 3.24Å; F1922-R1926 HydrophobicContact CD1-CG 4.25Å; F1922-R1926 HydrophobicContact CD2-CG 4.49Å; F1922-R1926 HydrophobicContact CE1-CG 3.85Å; F1922-R1926 HydrophobicContact CE2-CG 4.13Å; F1922-R1926 HydrophobicContact CZ-CG 3.79Å; F1922-R1926 WeakPolarHBondContact O-CB 3.48Å; F1922-R1926 WeakPolarHBondContact O-CG 3.35Å; F1922-R1926 PolarHBondContact O-N 2.87Å; F1922-D1949 VanDerWaalsContact CE2-OD1 3.32Å; F1922-D1949 WeakPolarHBondContact CE2-OD1 3.21Å; F1922-P1952 HydrophobicContact CB-CB 4.41Å; F1922-P1952 HydrophobicContact CB-CG 4.09Å; F1922-P1952 HydrophobicContact CD2-CG 4.38Å |
| 1923 | K | 91.1 | Very high | 83.6 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.5 | -41.8 | 179.1 | -74.1 | 165.2 | 176.6 | 178.6 | 0 | 113.1 | V1698 D1699 L1704 M1764 D1919 R1920 L1921 R1926 R1927 | V1698-K1923 HydrophobicContact CG1-CB 4.29Å; D1699-K1923 IonicContact OD1-NZ 3.13Å; D1699-K1923 WeakPolarHBondContact OD2-CE 3.29Å; D1699-K1923 IonicContact OD2-NZ 2.68Å; D1699-K1923 PolarHBondContact OD2-NZ 2.93Å; L1704-K1923 HydrophobicContact CD2-CD 4.34Å; L1704-K1923 HydrophobicContact CG-CD 4.32Å; M1764-K1923 HydrophobicContact CB-CB 4.34Å; M1764-K1923 HydrophobicContact CG-CB 4.45Å; M1764-K1923 HydrophobicContact SD-CB 3.94Å; D1919-K1923 WeakPolarHBondContact O-CB 3.31Å; D1919-K1923 WeakPolarHBondContact O-CD 3.14Å; D1919-K1923 VanDerWaalsContact O-CG 3.29Å; D1919-K1923 WeakPolarHBondContact O-CG 3.49Å; D1919-K1923 PolarHBondContact O-N 2.99Å; D1919-K1923 WeakPolarHBondContact OD1-CE 3.21Å; D1919-K1923 IonicContact OD1-NZ 2.7Å; D1919-K1923 PolarHBondContact OD1-NZ 2.98Å; D1919-K1923 WeakPolarHBondContact OD2-CE 3.22Å; D1919-K1923 IonicContact OD2-NZ 2.66Å; D1919-K1923 PolarHBondContact OD2-NZ 2.89Å; R1920-K1923 PolarHBondContact O-N 3.26Å; L1921-K1923 PolarHBondContact O-N 3.36Å; K1923-R1926 PolarHBondContact O-N 3.48Å; K1923-R1927 WeakPolarHBondContact O-CB 3.3Å; K1923-R1927 PolarHBondContact O-N 3.06Å |
| 1924 | V | 89.2 | Confident | 84.5 | Confident | 34 Ų | 34 | 31.4 Ų | 31.4 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.5 | -44.7 | 176.6 | 170.8 | 0 | 0 | 0 | 0 | 111 | M1764 R1920 L1921 R1927 R1928 V1978 | M1764-V1924 HydrophobicContact CB-CG2 4.19Å; M1764-V1924 HydrophobicContact CG-CG2 4.23Å; R1920-V1924 WeakPolarHBondContact O-CG2 3.19Å; R1920-V1924 PolarHBondContact O-N 3.32Å; L1921-V1924 PolarHBondContact O-N 3.17Å; V1924-R1927 PolarHBondContact O-N 2.96Å; V1924-R1928 PolarHBondContact O-N 2.95Å; V1924-V1978 HydrophobicContact CG1-CG1 3.71Å; V1924-V1978 HydrophobicContact CG1-CG2 4.13Å |
| 1925 | L | 91.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.3 | -47.8 | 175 | -73.8 | 175 | 0 | 0 | 0 | 111.7 | L1921 F1922 R1927 R1928 L1929 F1948 L1951 P1952 C1980 | L1921-L1925 HydrophobicContact CD1-CD1 3.96Å; L1921-L1925 HydrophobicContact CD1-CG 4.09Å; L1921-L1925 HydrophobicContact CG-CD1 4.12Å; L1921-L1925 WeakPolarHBondContact O-CB 3.27Å; L1921-L1925 WeakPolarHBondContact O-CG 3.29Å; L1921-L1925 PolarHBondContact O-N 3.02Å; F1922-L1925 PolarHBondContact O-N 3.24Å; L1925-R1927 VanDerWaalsContact C-N 3.31Å; L1925-R1927 PolarHBondContact O-N 2.94Å; L1925-R1928 PolarHBondContact O-N 3.34Å; L1925-L1929 PolarHBondContact O-N 3.06Å; L1925-F1948 HydrophobicContact CB-CB 4.46Å; L1925-F1948 HydrophobicContact CB-CD2 3.76Å; L1925-F1948 HydrophobicContact CB-CE2 4.29Å; L1925-F1948 HydrophobicContact CB-CG 4.33Å; L1925-F1948 HydrophobicContact CD2-CD2 4.15Å; L1925-F1948 HydrophobicContact CD2-CE2 4.02Å; L1925-F1948 HydrophobicContact CD2-CZ 4.32Å; L1925-F1948 HydrophobicContact CG-CD2 4.49Å; L1925-F1948 VanDerWaalsContact O-CD2 3.3Å; L1925-F1948 WeakPolarHBondContact O-CD2 3.47Å; L1925-F1948 WeakPolarHBondContact O-CE2 3.16Å; L1925-L1951 HydrophobicContact CD1-CB 4.15Å; L1925-L1951 HydrophobicContact CD1-CD1 4.36Å; L1925-P1952 HydrophobicContact CD1-CG 4.09Å; L1925-C1980 HydrophobicContact CD2-CB 4.5Å |
| 1926 | R | 90.4 | Very high | 84.7 | Confident | 51 Ų | 51 | 37.5 Ų | 37.5 | 19% | 0.192 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.7 | -38.9 | 176 | -74.2 | -55.4 | -164.1 | 106.4 | -12.2 | 112.3 | F1922 K1923 L1929 I1930 D1949 | F1922-R1926 HydrophobicContact CD1-CG 4.25Å; F1922-R1926 HydrophobicContact CD2-CG 4.49Å; F1922-R1926 HydrophobicContact CE1-CG 3.85Å; F1922-R1926 HydrophobicContact CE2-CG 4.13Å; F1922-R1926 HydrophobicContact CZ-CG 3.79Å; F1922-R1926 WeakPolarHBondContact O-CB 3.48Å; F1922-R1926 WeakPolarHBondContact O-CG 3.35Å; F1922-R1926 PolarHBondContact O-N 2.87Å; K1923-R1926 PolarHBondContact O-N 3.48Å; R1926-L1929 PolarHBondContact O-N 2.72Å; R1926-I1930 VanDerWaalsContact O-CD1 3.23Å; R1926-I1930 WeakPolarHBondContact O-CD1 3.39Å; R1926-I1930 WeakPolarHBondContact O-CG1 3.38Å; R1926-I1930 PolarHBondContact O-N 3.17Å; R1926-D1949 IonicContact CZ-OD1 2.63Å; R1926-D1949 IonicContact CZ-OD2 3.62Å; R1926-D1949 IonicContact NE-OD1 3.96Å; R1926-D1949 PolarHBondContact NE-OD1 3.35Å; R1926-D1949 IonicContact NH2-OD1 2.68Å; R1926-D1949 PolarHBondContact NH2-OD1 3.46Å; R1926-D1949 IonicContact NH2-OD2 2.69Å; R1926-D1949 PolarHBondContact NH2-OD2 2.81Å |
| 1927 | R | 90.2 | Very high | 84.1 | Confident | 41 Ų | 41 | 42.5 Ų | 42.5 | 16% | 0.155 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -49.3 | 171.5 | 171.9 | 167.7 | 153.6 | -160.6 | -16.2 | 112.1 | I1667 V1698 F1761 E1762 K1923 V1924 L1925 L1929 I1930 D1931 | I1667-R1927 VanDerWaalsContact CD1-NH2 3.27Å; V1698-R1927 HydrophobicContact CG1-CB 4.47Å; V1698-R1927 HydrophobicContact CG2-CB 4.39Å; F1761-R1927 PolarHBondContact O-NH1 2.89Å; F1761-R1927 VanDerWaalsContact O-NH1 3.15Å; E1762-R1927 PolarHBondContact O-NH1 2.9Å; K1923-R1927 WeakPolarHBondContact O-CB 3.3Å; K1923-R1927 PolarHBondContact O-N 3.06Å; V1924-R1927 PolarHBondContact O-N 2.96Å; L1925-R1927 VanDerWaalsContact C-N 3.31Å; L1925-R1927 PolarHBondContact O-N 2.94Å; R1927-L1929 VanDerWaalsContact C-N 3.27Å; R1927-L1929 PolarHBondContact O-N 2.74Å; R1927-I1930 PolarHBondContact O-N 2.83Å; R1927-D1931 WeakPolarHBondContact O-CB 3.17Å; R1927-D1931 PolarHBondContact O-N 2.92Å |
| 1928 | R | 88.2 | Confident | 83.4 | Confident | 66 Ų | 66 | 44.1 Ų | 44.1 | 25% | 0.249 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.3 | -37.9 | 176.1 | -72.3 | -179.8 | 81.2 | -120.2 | 4.5 | 112.2 | V1924 L1925 G1932 V1978 D1979 C1980 | V1924-R1928 PolarHBondContact O-N 2.95Å; L1925-R1928 PolarHBondContact O-N 3.34Å; R1928-G1932 PolarHBondContact O-N 2.84Å; R1928-V1978 WeakPolarHBondContact CD-O 3.4Å; R1928-V1978 VanDerWaalsContact CZ-O 3.22Å; R1928-V1978 PolarHBondContact NH1-O 3.01Å; R1928-D1979 PolarHBondContact NH2-O 3.37Å; R1928-D1979 VanDerWaalsContact NH2-O 3.12Å; R1928-C1980 PolarHBondContact NH1-O 3.08Å |
| 1929 | L | 87.5 | Confident | 82.6 | Confident | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 175 | -169.6 | 76.3 | 0 | 0 | 0 | 112 | L1925 R1926 R1927 G1932 E1933 L1940 L1944 A1945 F1948 | L1925-L1929 PolarHBondContact O-N 3.06Å; R1926-L1929 PolarHBondContact O-N 2.72Å; R1927-L1929 VanDerWaalsContact C-N 3.27Å; R1927-L1929 PolarHBondContact O-N 2.74Å; L1929-G1932 WeakPolarHBondContact O-CA 3.43Å; L1929-G1932 PolarHBondContact O-N 2.69Å; L1929-E1933 PolarHBondContact O-N 3.29Å; L1929-L1940 HydrophobicContact CD1-CB 4.48Å; L1929-L1940 HydrophobicContact CD1-CD1 3.62Å; L1929-L1940 HydrophobicContact CG-CD1 4.17Å; L1929-L1940 WeakPolarHBondContact O-CD1 3.47Å; L1929-L1944 HydrophobicContact CD1-CB 4.4Å; L1929-L1944 HydrophobicContact CD1-CD2 3.78Å; L1929-L1944 HydrophobicContact CD1-CG 3.94Å; L1929-A1945 HydrophobicContact CD2-CB 4.03Å; L1929-F1948 HydrophobicContact CB-CD2 3.9Å; L1929-F1948 HydrophobicContact CB-CE2 4.07Å; L1929-F1948 HydrophobicContact CD1-CD2 4.15Å; L1929-F1948 HydrophobicContact CD1-CE2 4.3Å; L1929-F1948 HydrophobicContact CG-CD2 4.48Å |
| 1930 | I | 86.6 | Confident | 82.1 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.031 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -68.4 | -43.6 | -179.6 | -65.6 | 156.9 | 0 | 0 | 0 | 111.1 | Y1694 R1697 V1698 R1926 R1927 G1932 E1933 V1934 | Y1694-I1930 HydrophobicContact CD2-CG2 3.8Å; Y1694-I1930 HydrophobicContact CE2-CG2 3.83Å; R1697-I1930 HydrophobicContact CB-CD1 3.52Å; R1697-I1930 HydrophobicContact CB-CG1 4.33Å; V1698-I1930 HydrophobicContact CG2-CD1 3.57Å; R1926-I1930 VanDerWaalsContact O-CD1 3.23Å; R1926-I1930 WeakPolarHBondContact O-CD1 3.39Å; R1926-I1930 WeakPolarHBondContact O-CG1 3.38Å; R1926-I1930 PolarHBondContact O-N 3.17Å; R1927-I1930 PolarHBondContact O-N 2.83Å; I1930-G1932 PolarHBondContact O-N 2.73Å; I1930-E1933 PolarHBondContact O-N 3.4Å; I1930-E1933 VanDerWaalsContact O-N 3.16Å; I1930-V1934 HydrophobicContact CG2-CG2 4.2Å; I1930-V1934 WeakPolarHBondContact O-CG2 3.41Å; I1930-V1934 PolarHBondContact O-N 2.66Å |
| 1931 | D | 83.5 | Confident | 81.4 | Confident | 17 Ų | 17 | 50.8 Ų | 50.8 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.6 | -39.2 | 172 | -73.5 | -17.8 | 0 | 0 | 0 | 110.4 | I1667 R1927 R1935 | I1667-D1931 WeakPolarHBondContact CG2-OD1 3.47Å; R1927-D1931 WeakPolarHBondContact O-CB 3.17Å; R1927-D1931 PolarHBondContact O-N 2.92Å; D1931-R1935 VanDerWaalsContact O-CB 3.26Å; D1931-R1935 WeakPolarHBondContact O-CB 3.29Å; D1931-R1935 WeakPolarHBondContact O-CD 3.39Å; D1931-R1935 WeakPolarHBondContact O-CG 3.44Å; D1931-R1935 PolarHBondContact O-N 3.31Å |
| 1932 | G | 81.3 | Confident | 80.7 | Confident | 6 Ų | 6 | 55 Ų | 55 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | R1928 L1929 I1930 R1936 | R1928-G1932 PolarHBondContact O-N 2.84Å; L1929-G1932 WeakPolarHBondContact O-CA 3.43Å; L1929-G1932 PolarHBondContact O-N 2.69Å; I1930-G1932 PolarHBondContact O-N 2.73Å; G1932-R1936 WeakPolarHBondContact O-CB 3.39Å; G1932-R1936 PolarHBondContact O-N 2.92Å; G1932-R1936 VanDerWaalsContact O-N 3.1Å |
| 1933 | E | 83.6 | Confident | 80.1 | Confident | 38 Ų | 38 | 55.8 Ų | 55.8 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.9 | -47.8 | 173.9 | -76.8 | -178.6 | -147 | 0 | 0 | 111.8 | R1697 L1929 I1930 R1936 Q1937 G1938 L1940 | R1697-E1933 IonicContact CZ-OE1 2.69Å; R1697-E1933 IonicContact CZ-OE2 2.74Å; R1697-E1933 VanDerWaalsContact CZ-OE2 3.29Å; R1697-E1933 IonicContact NH1-OE2 2.84Å; R1697-E1933 PolarHBondContact NH1-OE2 3.36Å; R1697-E1933 IonicContact NH2-OE1 3.29Å; R1697-E1933 PolarHBondContact NH2-OE1 2.76Å; R1697-E1933 IonicContact NH2-OE2 3.73Å; R1697-E1933 PolarHBondContact NH2-OE2 3.49Å; L1929-E1933 PolarHBondContact O-N 3.29Å; I1930-E1933 PolarHBondContact O-N 3.4Å; I1930-E1933 VanDerWaalsContact O-N 3.16Å; E1933-R1936 PolarHBondContact O-N 2.88Å; E1933-Q1937 PolarHBondContact O-N 2.8Å; E1933-G1938 WeakPolarHBondContact CA-O 3.19Å; E1933-G1938 PolarHBondContact O-N 2.99Å; E1933-L1940 HydrophobicContact CG-CB 4.2Å; E1933-L1940 HydrophobicContact CG-CD1 4.11Å; E1933-L1940 HydrophobicContact CG-CG 3.98Å |
| 1934 | V | 80.3 | Confident | 79.8 | Confident | 40 Ų | 40 | 55.8 Ų | 55.8 | 24% | 0.242 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.6 | -39 | -175.6 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | F1668 I1930 Q1937 | F1668-V1934 HydrophobicContact CB-CG1 3.72Å; F1668-V1934 WeakPolarHBondContact O-CG1 3.34Å; I1930-V1934 HydrophobicContact CG2-CG2 4.2Å; I1930-V1934 WeakPolarHBondContact O-CG2 3.41Å; I1930-V1934 PolarHBondContact O-N 2.66Å; V1934-Q1937 PolarHBondContact O-N 3.43Å |
| 1935 | R | 74.3 | Confident | 79.7 | Confident | 125 Ų | 125 | 55.5 Ų | 55.5 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.9 | -45.5 | 174.5 | -72.1 | 172.7 | -163.7 | -162.1 | 7.6 | 112.3 | D1931 Q1937 | D1931-R1935 VanDerWaalsContact O-CB 3.26Å; D1931-R1935 WeakPolarHBondContact O-CB 3.29Å; D1931-R1935 WeakPolarHBondContact O-CD 3.39Å; D1931-R1935 WeakPolarHBondContact O-CG 3.44Å; D1931-R1935 PolarHBondContact O-N 3.31Å; R1935-Q1937 VanDerWaalsContact C-N 3.26Å; R1935-Q1937 PolarHBondContact O-N 3.17Å |
| 1936 | R | 70.1 | Confident | 79.5 | Confident | 138 Ų | 138 | 61.6 Ų | 61.6 | 52% | 0.521 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -75.8 | -9.6 | 178.9 | -70.7 | -171.7 | -121.4 | -163.6 | 0.9 | 113.9 | G1932 E1933 G1938 L1982 | G1932-R1936 WeakPolarHBondContact O-CB 3.39Å; G1932-R1936 PolarHBondContact O-N 2.92Å; G1932-R1936 VanDerWaalsContact O-N 3.1Å; E1933-R1936 PolarHBondContact O-N 2.88Å; R1936-G1938 PolarHBondContact O-N 3.45Å; R1936-L1982 VanDerWaalsContact NH2-CB 3.31Å; R1936-L1982 PolarHBondContact NH2-O 3.05Å |
| 1937 | Q | 62.5 | Low | 79.5 | Confident | 132 Ų | 132 | 59.2 Ų | 59.2 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 19.6 | -172.1 | -58.8 | -166.6 | 49.5 | 0 | 0 | 114.8 | E1933 V1934 R1935 | E1933-Q1937 PolarHBondContact O-N 2.8Å; V1934-Q1937 PolarHBondContact O-N 3.43Å; R1935-Q1937 VanDerWaalsContact C-N 3.26Å; R1935-Q1937 PolarHBondContact O-N 3.17Å |
| 1938 | G | 63.7 | Low | 79.5 | Confident | 37 Ų | 37 | 57.3 Ų | 57.3 | 38% | 0.381 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -138.5 | 154.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | E1933 R1936 L1940 | E1933-G1938 WeakPolarHBondContact CA-O 3.19Å; E1933-G1938 PolarHBondContact O-N 2.99Å; R1936-G1938 PolarHBondContact O-N 3.45Å; G1938-L1940 PolarHBondContact O-N 3.38Å |
| 1939 | K | 69 | Low | 79.6 | Confident | 197 Ų | 197 | 56.4 Ų | 56.4 | 86% | 0.857 | 29% | 0.285 | S | S | * | . | P | Polyproline II helix | trans | -66.9 | 132 | 173.8 | -68.6 | -172.7 | 176.6 | -173.4 | 0 | 109.3 | ||
| 1940 | L | 75.5 | Confident | 79.8 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.089 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 158.7 | 165.5 | -73.8 | 171.5 | 0 | 0 | 0 | 110.4 | L1929 E1933 G1938 S1942 L1944 | L1929-L1940 HydrophobicContact CD1-CB 4.48Å; L1929-L1940 HydrophobicContact CD1-CD1 3.62Å; L1929-L1940 HydrophobicContact CG-CD1 4.17Å; L1929-L1940 WeakPolarHBondContact O-CD1 3.47Å; E1933-L1940 HydrophobicContact CG-CB 4.2Å; E1933-L1940 HydrophobicContact CG-CD1 4.11Å; E1933-L1940 HydrophobicContact CG-CG 3.98Å; G1938-L1940 PolarHBondContact O-N 3.38Å; L1940-S1942 PolarHBondContact O-N 3.01Å; L1940-L1944 HydrophobicContact CD1-CD2 4.2Å |
| 1941 | P | 70.7 | Confident | 80.1 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 40% | 0.396 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 128 | 173.5 | -25.4 | 34.9 | 0 | 0 | 0 | 110.7 | E1943 L1944 | P1941-E1943 PolarHBondContact O-N 3.02Å; P1941-L1944 WeakPolarHBondContact O-CB 3.36Å; P1941-L1944 PolarHBondContact O-N 2.97Å |
| 1942 | S | 74.9 | Confident | 80.5 | Confident | 95 Ų | 95 | 56 Ų | 56 | 66% | 0.664 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -61.3 | -18.6 | -177.1 | 39.5 | 0 | 0 | 0 | 0 | 113.8 | L1940 | L1940-S1942 PolarHBondContact O-N 3.01Å |
| 1943 | E | 78.4 | Confident | 80.9 | Confident | 65 Ų | 65 | 61 Ų | 61 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -72.6 | -31.7 | 172.6 | -68.9 | 132.8 | -143 | 0 | 0 | 113.1 | P1941 A1945 K1946 V1947 K1984 | P1941-E1943 PolarHBondContact O-N 3.02Å; E1943-A1945 PolarHBondContact O-N 3.5Å; E1943-K1946 WeakPolarHBondContact O-CA 3.4Å; E1943-K1946 VanDerWaalsContact O-CB 3.3Å; E1943-K1946 WeakPolarHBondContact O-CB 3.4Å; E1943-K1946 PolarHBondContact O-N 3.04Å; E1943-V1947 PolarHBondContact O-N 3.17Å; E1943-K1984 WeakPolarHBondContact OE2-CD 3.33Å; E1943-K1984 VanDerWaalsContact OE2-CE 3.31Å; E1943-K1984 WeakPolarHBondContact OE2-CE 3.47Å; E1943-K1984 IonicContact OE2-NZ 2.58Å; E1943-K1984 PolarHBondContact OE2-NZ 3.01Å |
| 1944 | L | 85.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -31.9 | 176.9 | -171.3 | 66.6 | 0 | 0 | 0 | 111 | L1929 L1940 P1941 V1947 F1948 L1982 | L1929-L1944 HydrophobicContact CD1-CB 4.4Å; L1929-L1944 HydrophobicContact CD1-CD2 3.78Å; L1929-L1944 HydrophobicContact CD1-CG 3.94Å; L1940-L1944 HydrophobicContact CD1-CD2 4.2Å; P1941-L1944 WeakPolarHBondContact O-CB 3.36Å; P1941-L1944 PolarHBondContact O-N 2.97Å; L1944-V1947 PolarHBondContact O-N 2.92Å; L1944-F1948 HydrophobicContact CD1-CD1 4.07Å; L1944-F1948 HydrophobicContact CD1-CE1 3.71Å; L1944-F1948 HydrophobicContact CG-CD1 4.16Å; L1944-F1948 HydrophobicContact CG-CE1 4Å; L1944-F1948 WeakPolarHBondContact O-CB 3.45Å; L1944-F1948 VanDerWaalsContact O-CD1 3.3Å; L1944-F1948 WeakPolarHBondContact O-CD1 3.49Å; L1944-F1948 PolarHBondContact O-N 2.92Å; L1944-L1982 HydrophobicContact CD2-CD2 4.43Å |
| 1945 | A | 85.3 | Confident | 81.8 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 22% | 0.223 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.2 | -37 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1929 E1943 F1948 D1949 | L1929-A1945 HydrophobicContact CD2-CB 4.03Å; E1943-A1945 PolarHBondContact O-N 3.5Å; A1945-F1948 PolarHBondContact O-N 3.03Å; A1945-D1949 WeakPolarHBondContact O-CB 3.37Å; A1945-D1949 VanDerWaalsContact O-CG 3.23Å; A1945-D1949 PolarHBondContact O-N 3.1Å |
| 1946 | K | 87.8 | Confident | 82.4 | Confident | 128 Ų | 128 | 51.8 Ų | 51.8 | 56% | 0.557 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 173.6 | -59.9 | -175.4 | 177.3 | -174.6 | 0 | 111.6 | E1943 F1948 D1949 W1950 | E1943-K1946 WeakPolarHBondContact O-CA 3.4Å; E1943-K1946 VanDerWaalsContact O-CB 3.3Å; E1943-K1946 WeakPolarHBondContact O-CB 3.4Å; E1943-K1946 PolarHBondContact O-N 3.04Å; K1946-F1948 VanDerWaalsContact C-N 3.34Å; K1946-F1948 PolarHBondContact O-N 3.42Å; K1946-D1949 PolarHBondContact O-N 2.85Å; K1946-W1950 VanDerWaalsContact O-CB 3.29Å; K1946-W1950 WeakPolarHBondContact O-CB 3.41Å; K1946-W1950 PolarHBondContact O-N 2.84Å |
| 1947 | V | 91 | Very high | 83.3 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 174.9 | 178.3 | 0 | 0 | 0 | 0 | 110.1 | E1943 L1944 D1949 W1950 L1951 P2032 W2033 | E1943-V1947 PolarHBondContact O-N 3.17Å; L1944-V1947 PolarHBondContact O-N 2.92Å; V1947-D1949 VanDerWaalsContact C-N 3.3Å; V1947-D1949 PolarHBondContact O-N 2.87Å; V1947-W1950 WeakPolarHBondContact O-CB 3.44Å; V1947-W1950 PolarHBondContact O-N 2.82Å; V1947-L1951 HydrophobicContact CG1-CD1 4.19Å; V1947-L1951 HydrophobicContact CG1-CG 4.27Å; V1947-L1951 WeakPolarHBondContact O-CG 3.47Å; V1947-L1951 PolarHBondContact O-N 3.22Å; V1947-P2032 HydrophobicContact CG2-CB 4.13Å; V1947-P2032 HydrophobicContact CG2-CG 4.04Å; V1947-W2033 HydrophobicContact CG1-CH2 4.06Å; V1947-W2033 HydrophobicContact CG1-CZ2 3.57Å; V1947-W2033 HydrophobicContact CG2-CD2 4.44Å; V1947-W2033 HydrophobicContact CG2-CZ2 4.07Å |
| 1948 | F | 90.4 | Very high | 84.5 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.5 | -26.7 | -179 | -81.8 | 36.8 | 0 | 0 | 0 | 113.1 | L1925 L1929 L1944 A1945 K1946 P1952 C1980 L1982 | L1925-F1948 HydrophobicContact CB-CB 4.46Å; L1925-F1948 HydrophobicContact CB-CD2 3.76Å; L1925-F1948 HydrophobicContact CB-CE2 4.29Å; L1925-F1948 HydrophobicContact CB-CG 4.33Å; L1925-F1948 HydrophobicContact CD2-CD2 4.15Å; L1925-F1948 HydrophobicContact CD2-CE2 4.02Å; L1925-F1948 HydrophobicContact CD2-CZ 4.32Å; L1925-F1948 HydrophobicContact CG-CD2 4.49Å; L1925-F1948 VanDerWaalsContact O-CD2 3.3Å; L1925-F1948 WeakPolarHBondContact O-CD2 3.47Å; L1925-F1948 WeakPolarHBondContact O-CE2 3.16Å; L1929-F1948 HydrophobicContact CB-CD2 3.9Å; L1929-F1948 HydrophobicContact CB-CE2 4.07Å; L1929-F1948 HydrophobicContact CD1-CD2 4.15Å; L1929-F1948 HydrophobicContact CD1-CE2 4.3Å; L1929-F1948 HydrophobicContact CG-CD2 4.48Å; L1944-F1948 HydrophobicContact CD1-CD1 4.07Å; L1944-F1948 HydrophobicContact CD1-CE1 3.71Å; L1944-F1948 HydrophobicContact CG-CD1 4.16Å; L1944-F1948 HydrophobicContact CG-CE1 4Å; L1944-F1948 WeakPolarHBondContact O-CB 3.45Å; L1944-F1948 VanDerWaalsContact O-CD1 3.3Å; L1944-F1948 WeakPolarHBondContact O-CD1 3.49Å; L1944-F1948 PolarHBondContact O-N 2.92Å; A1945-F1948 PolarHBondContact O-N 3.03Å; K1946-F1948 VanDerWaalsContact C-N 3.34Å; K1946-F1948 PolarHBondContact O-N 3.42Å; F1948-P1952 WeakPolarHBondContact O-CD 3.4Å; F1948-C1980 HydrophobicContact CE1-CB 4.26Å; F1948-C1980 HydrophobicContact CZ-CB 4.45Å; F1948-L1982 HydrophobicContact CE2-CD2 3.91Å; F1948-L1982 HydrophobicContact CZ-CD2 3.68Å |
| 1949 | D | 89.3 | Confident | 85.5 | Confident | 48 Ų | 48 | 38.8 Ų | 38.8 | 26% | 0.257 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -81.2 | -16.1 | 170.6 | -69.7 | -7.8 | 0 | 0 | 0 | 113.1 | F1922 R1926 A1945 K1946 V1947 K1953 | F1922-D1949 VanDerWaalsContact CE2-OD1 3.32Å; F1922-D1949 WeakPolarHBondContact CE2-OD1 3.21Å; R1926-D1949 IonicContact CZ-OD1 2.63Å; R1926-D1949 IonicContact CZ-OD2 3.62Å; R1926-D1949 IonicContact NE-OD1 3.96Å; R1926-D1949 PolarHBondContact NE-OD1 3.35Å; R1926-D1949 IonicContact NH2-OD1 2.68Å; R1926-D1949 PolarHBondContact NH2-OD1 3.46Å; R1926-D1949 IonicContact NH2-OD2 2.69Å; R1926-D1949 PolarHBondContact NH2-OD2 2.81Å; A1945-D1949 WeakPolarHBondContact O-CB 3.37Å; A1945-D1949 VanDerWaalsContact O-CG 3.23Å; A1945-D1949 PolarHBondContact O-N 3.1Å; K1946-D1949 PolarHBondContact O-N 2.85Å; V1947-D1949 VanDerWaalsContact C-N 3.3Å; V1947-D1949 PolarHBondContact O-N 2.87Å; D1949-K1953 VanDerWaalsContact O-CE 3.29Å; D1949-K1953 WeakPolarHBondContact O-CE 3.49Å; D1949-K1953 WeakPolarHBondContact O-CG 3.4Å |
| 1950 | W | 92.2 | Very high | 86.2 | Confident | 13 Ų | 13 | 34.1 Ų | 34.1 | 5% | 0.049 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -91.2 | -42.7 | 179.8 | 175.7 | 84.1 | 0 | 0 | 0 | 113 | K1946 V1947 K1953 I1954 F1991 I2027 S2030 W2031 P2032 W2033 | K1946-W1950 VanDerWaalsContact O-CB 3.29Å; K1946-W1950 WeakPolarHBondContact O-CB 3.41Å; K1946-W1950 PolarHBondContact O-N 2.84Å; V1947-W1950 WeakPolarHBondContact O-CB 3.44Å; V1947-W1950 PolarHBondContact O-N 2.82Å; W1950-K1953 WeakPolarHBondContact O-CA 3.47Å; W1950-K1953 VanDerWaalsContact O-CB 3.25Å; W1950-K1953 WeakPolarHBondContact O-CB 3.27Å; W1950-K1953 PolarHBondContact O-N 2.86Å; W1950-I1954 HydrophobicContact CD2-CD1 4.3Å; W1950-I1954 HydrophobicContact CD2-CG1 3.6Å; W1950-I1954 HydrophobicContact CE3-CG1 3.96Å; W1950-I1954 HydrophobicContact CG-CG1 4.25Å; W1950-I1954 HydrophobicContact CH2-CD1 4.45Å; W1950-I1954 HydrophobicContact CH2-CG1 3.9Å; W1950-I1954 HydrophobicContact CZ2-CD1 3.66Å; W1950-I1954 HydrophobicContact CZ2-CG1 3.5Å; W1950-I1954 HydrophobicContact CZ3-CG1 4.1Å; W1950-I1954 PolarHBondContact O-N 3.22Å; W1950-F1991 HydrophobicContact CH2-CD1 4.38Å; W1950-F1991 HydrophobicContact CH2-CD2 4.42Å; W1950-F1991 AromaticContact CH2-CE1 3.82Å; W1950-F1991 HydrophobicContact CH2-CE1 3.82Å; W1950-F1991 AromaticContact CH2-CE2 3.83Å; W1950-F1991 HydrophobicContact CH2-CE2 3.83Å; W1950-F1991 AromaticContact CH2-CZ 3.51Å; W1950-F1991 HydrophobicContact CH2-CZ 3.51Å; W1950-F1991 AromaticContact CZ3-CD2 3.94Å; W1950-F1991 HydrophobicContact CZ3-CD2 3.94Å; W1950-F1991 HydrophobicContact CZ3-CE1 4.29Å; W1950-F1991 AromaticContact CZ3-CE2 3.62Å; W1950-F1991 HydrophobicContact CZ3-CE2 3.62Å; W1950-F1991 HydrophobicContact CZ3-CG 4.38Å; W1950-F1991 AromaticContact CZ3-CZ 3.83Å; W1950-F1991 HydrophobicContact CZ3-CZ 3.83Å; W1950-I2027 HydrophobicContact CH2-CG2 4.2Å; W1950-I2027 HydrophobicContact CZ2-CG2 4.17Å; W1950-S2030 PolarHBondContact NE1-O 2.8Å; W1950-S2030 PolarHBondContact NE1-OG 3.01Å; W1950-W2031 HydrophobicContact CH2-CE3 4.24Å; W1950-W2031 HydrophobicContact CH2-CZ3 4.42Å; W1950-P2032 HydrophobicContact CB-CG 4.49Å; W1950-P2032 HydrophobicContact CD2-CG 3.72Å; W1950-P2032 HydrophobicContact CE3-CG 3.68Å; W1950-P2032 HydrophobicContact CG-CB 4.46Å; W1950-P2032 HydrophobicContact CG-CG 4.12Å; W1950-P2032 HydrophobicContact CH2-CG 4.39Å; W1950-P2032 HydrophobicContact CZ2-CG 4.44Å; W1950-P2032 HydrophobicContact CZ3-CG 4.04Å; W1950-W2033 HydrophobicContact CE3-CH2 4.49Å; W1950-W2033 HydrophobicContact CE3-CZ3 4.44Å; W1950-W2033 AromaticContact CH2-CZ3 3.92Å; W1950-W2033 HydrophobicContact CH2-CZ3 3.92Å; W1950-W2033 AromaticContact CZ3-CH2 3.82Å; W1950-W2033 HydrophobicContact CZ3-CH2 3.82Å; W1950-W2033 AromaticContact CZ3-CZ3 3.63Å; W1950-W2033 HydrophobicContact CZ3-CZ3 3.63Å |
| 1951 | L | 94 | Very high | 86.5 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -52.9 | -42 | -178.8 | -65.3 | 170.6 | 0 | 0 | 0 | 113.7 | L1925 V1947 K1953 I1954 W1955 F1977 C1980 W1990 F1991 | L1925-L1951 HydrophobicContact CD1-CB 4.15Å; L1925-L1951 HydrophobicContact CD1-CD1 4.36Å; V1947-L1951 HydrophobicContact CG1-CD1 4.19Å; V1947-L1951 HydrophobicContact CG1-CG 4.27Å; V1947-L1951 WeakPolarHBondContact O-CG 3.47Å; V1947-L1951 PolarHBondContact O-N 3.22Å; L1951-K1953 VanDerWaalsContact C-N 3.3Å; L1951-K1953 PolarHBondContact O-N 2.79Å; L1951-I1954 PolarHBondContact O-N 3.17Å; L1951-W1955 PolarHBondContact O-N 2.77Å; L1951-F1977 HydrophobicContact CB-CD1 4.14Å; L1951-F1977 HydrophobicContact CD2-CD1 4.01Å; L1951-F1977 HydrophobicContact CD2-CE1 4.36Å; L1951-C1980 HydrophobicContact CD1-CB 3.94Å; L1951-W1990 HydrophobicContact CD1-CH2 4.33Å; L1951-W1990 HydrophobicContact CD1-CZ3 4.07Å; L1951-W1990 HydrophobicContact CD2-CZ3 4.17Å; L1951-F1991 HydrophobicContact CD2-CD2 3.69Å; L1951-F1991 HydrophobicContact CD2-CE2 3.93Å |
| 1952 | P | 91 | Very high | 87 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -67.1 | -26.2 | 174.8 | -20.3 | 33.5 | 0 | 0 | 0 | 114 | R1918 L1921 F1922 L1925 F1948 S1956 | R1918-P1952 HydrophobicContact CG-CB 3.95Å; L1921-P1952 HydrophobicContact CD2-CB 4.41Å; L1921-P1952 HydrophobicContact CG-CG 4.31Å; F1922-P1952 HydrophobicContact CB-CB 4.41Å; F1922-P1952 HydrophobicContact CB-CG 4.09Å; F1922-P1952 HydrophobicContact CD2-CG 4.38Å; L1925-P1952 HydrophobicContact CD1-CG 4.09Å; F1948-P1952 WeakPolarHBondContact O-CD 3.4Å; P1952-S1956 VanDerWaalsContact O-CB 3.28Å; P1952-S1956 WeakPolarHBondContact O-CB 3.46Å; P1952-S1956 PolarHBondContact O-N 3.05Å; P1952-S1956 VanDerWaalsContact O-N 3.13Å |
| 1953 | K | 90.4 | Very high | 87 | Confident | 113 Ų | 113 | 30.7 Ų | 30.7 | 49% | 0.491 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -69.7 | -46.7 | 173 | -55.1 | 175.4 | -174.2 | 174.4 | 0 | 109.8 | D1949 W1950 L1951 S1956 Y1957 | D1949-K1953 VanDerWaalsContact O-CE 3.29Å; D1949-K1953 WeakPolarHBondContact O-CE 3.49Å; D1949-K1953 WeakPolarHBondContact O-CG 3.4Å; W1950-K1953 WeakPolarHBondContact O-CA 3.47Å; W1950-K1953 VanDerWaalsContact O-CB 3.25Å; W1950-K1953 WeakPolarHBondContact O-CB 3.27Å; W1950-K1953 PolarHBondContact O-N 2.86Å; L1951-K1953 VanDerWaalsContact C-N 3.3Å; L1951-K1953 PolarHBondContact O-N 2.79Å; K1953-S1956 PolarHBondContact O-N 3Å; K1953-Y1957 PolarHBondContact O-N 3.13Å |
| 1954 | I | 91.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -49 | 177.3 | -63.4 | -51.4 | 0 | 0 | 0 | 111.5 | W1950 L1951 S1956 Y1957 L1958 F1977 F1991 F2026 I2027 | W1950-I1954 HydrophobicContact CD2-CD1 4.3Å; W1950-I1954 HydrophobicContact CD2-CG1 3.6Å; W1950-I1954 HydrophobicContact CE3-CG1 3.96Å; W1950-I1954 HydrophobicContact CG-CG1 4.25Å; W1950-I1954 HydrophobicContact CH2-CD1 4.45Å; W1950-I1954 HydrophobicContact CH2-CG1 3.9Å; W1950-I1954 HydrophobicContact CZ2-CD1 3.66Å; W1950-I1954 HydrophobicContact CZ2-CG1 3.5Å; W1950-I1954 HydrophobicContact CZ3-CG1 4.1Å; W1950-I1954 PolarHBondContact O-N 3.22Å; L1951-I1954 PolarHBondContact O-N 3.17Å; I1954-S1956 VanDerWaalsContact C-N 3.28Å; I1954-S1956 PolarHBondContact O-N 2.77Å; I1954-Y1957 PolarHBondContact O-N 3.15Å; I1954-Y1957 VanDerWaalsContact O-N 3.14Å; I1954-L1958 HydrophobicContact CG2-CD1 3.79Å; I1954-L1958 HydrophobicContact CG2-CG 4.27Å; I1954-L1958 WeakPolarHBondContact O-CG 3.34Å; I1954-L1958 PolarHBondContact O-N 2.76Å; I1954-F1977 HydrophobicContact CG2-CE1 4.42Å; I1954-F1991 HydrophobicContact CG2-CZ 4.49Å; I1954-F2026 HydrophobicContact CD1-CD1 4.05Å; I1954-F2026 HydrophobicContact CD1-CE1 3.7Å; I1954-I2027 HydrophobicContact CD1-CG1 3.95Å; I1954-I2027 HydrophobicContact CG2-CD1 4.16Å; I1954-I2027 HydrophobicContact CG2-CG1 4.31Å |
| 1955 | W | 90.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -58.5 | -41.1 | 175.8 | 178.3 | 81.3 | 0 | 0 | 0 | 111.7 | V1789 G1914 R1918 L1921 L1951 Y1957 L1958 Y1959 L1972 P1974 F1977 | V1789-W1955 HydrophobicContact CG1-CZ2 3.95Å; G1914-W1955 WeakPolarHBondContact O-CZ3 3.26Å; R1918-W1955 HydrophobicContact CB-CE3 4.36Å; R1918-W1955 HydrophobicContact CB-CZ3 4.18Å; L1921-W1955 HydrophobicContact CD2-CB 4.09Å; L1921-W1955 HydrophobicContact CD2-CG 4.31Å; L1951-W1955 PolarHBondContact O-N 2.77Å; W1955-Y1957 PolarHBondContact O-N 3.26Å; W1955-L1958 PolarHBondContact O-N 3.3Å; W1955-Y1959 HydrophobicContact CH2-CD2 4.12Å; W1955-Y1959 HydrophobicContact CH2-CG 4.13Å; W1955-Y1959 AromaticContact CZ2-CD2 3.79Å; W1955-Y1959 HydrophobicContact CZ2-CD2 3.79Å; W1955-Y1959 HydrophobicContact CZ2-CG 4.12Å; W1955-Y1959 VanDerWaalsContact O-CB 3.3Å; W1955-Y1959 WeakPolarHBondContact O-CB 3.44Å; W1955-Y1959 PolarHBondContact O-N 2.98Å; W1955-L1972 PolarHBondContact NE1-O 3.49Å; W1955-P1974 HydrophobicContact CD2-CB 4.03Å; W1955-P1974 HydrophobicContact CG-CB 4.43Å; W1955-P1974 HydrophobicContact CZ2-CB 4.07Å; W1955-P1974 HydrophobicContact CZ2-CG 4.25Å; W1955-F1977 HydrophobicContact CB-CD2 4.14Å; W1955-F1977 HydrophobicContact CB-CE2 4.07Å; W1955-F1977 HydrophobicContact CB-CG 4.49Å; W1955-F1977 HydrophobicContact CB-CZ 4.32Å; W1955-F1977 AromaticContact CD1-CD2 3.81Å; W1955-F1977 AromaticContact CD1-CE2 3.66Å; W1955-F1977 HydrophobicContact CG-CD2 4.27Å; W1955-F1977 HydrophobicContact CG-CE2 4.26Å |
| 1956 | S | 87.6 | Confident | 85.4 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.063 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69 | -29.7 | 177.6 | -170.9 | 0 | 0 | 0 | 0 | 113.7 | P1952 K1953 I1954 K1960 | P1952-S1956 VanDerWaalsContact O-CB 3.28Å; P1952-S1956 WeakPolarHBondContact O-CB 3.46Å; P1952-S1956 PolarHBondContact O-N 3.05Å; P1952-S1956 VanDerWaalsContact O-N 3.13Å; K1953-S1956 PolarHBondContact O-N 3Å; I1954-S1956 VanDerWaalsContact C-N 3.28Å; I1954-S1956 PolarHBondContact O-N 2.77Å; S1956-K1960 WeakPolarHBondContact O-CD 3.43Å; S1956-K1960 WeakPolarHBondContact O-CG 3.47Å; S1956-K1960 PolarHBondContact O-N 3.47Å |
| 1957 | Y | 88.4 | Confident | 84 | Confident | 28 Ų | 28 | 29 Ų | 29 | 11% | 0.11 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69 | -53.6 | 171 | 179.5 | -89.6 | 0 | 0 | 0 | 110.8 | K1953 I1954 W1955 Y1959 K1960 Y1961 W2020 P2021 P2023 F2026 | K1953-Y1957 PolarHBondContact O-N 3.13Å; I1954-Y1957 PolarHBondContact O-N 3.15Å; I1954-Y1957 VanDerWaalsContact O-N 3.14Å; W1955-Y1957 PolarHBondContact O-N 3.26Å; Y1957-Y1959 VanDerWaalsContact C-N 3.31Å; Y1957-Y1959 PolarHBondContact O-N 2.92Å; Y1957-K1960 PolarHBondContact O-N 2.86Å; Y1957-K1960 VanDerWaalsContact O-N 3.14Å; Y1957-Y1961 PolarHBondContact O-N 2.85Å; Y1957-W2020 HydrophobicContact CE2-CZ3 4.47Å; Y1957-P2021 PolarHBondContact OH-O 2.94Å; Y1957-P2023 HydrophobicContact CE1-CB 4.34Å; Y1957-P2023 HydrophobicContact CE1-CG 4.48Å; Y1957-F2026 AromaticContact CD1-CD1 3.61Å; Y1957-F2026 HydrophobicContact CD1-CD1 3.61Å; Y1957-F2026 HydrophobicContact CD1-CE1 4.06Å; Y1957-F2026 HydrophobicContact CD1-CG 4.23Å; Y1957-F2026 AromaticContact CD2-CD1 3.69Å; Y1957-F2026 HydrophobicContact CD2-CD1 3.69Å; Y1957-F2026 HydrophobicContact CD2-CD2 4.18Å; Y1957-F2026 AromaticContact CD2-CE1 3.62Å; Y1957-F2026 HydrophobicContact CD2-CE1 3.62Å; Y1957-F2026 HydrophobicContact CD2-CE2 4.12Å; Y1957-F2026 AromaticContact CD2-CG 3.98Å; Y1957-F2026 HydrophobicContact CD2-CG 3.98Å; Y1957-F2026 AromaticContact CD2-CZ 3.84Å; Y1957-F2026 HydrophobicContact CD2-CZ 3.84Å; Y1957-F2026 HydrophobicContact CE1-CB 4.1Å; Y1957-F2026 AromaticContact CE1-CD1 3.97Å; Y1957-F2026 HydrophobicContact CE1-CD1 3.97Å; Y1957-F2026 HydrophobicContact CE1-CG 4.14Å; Y1957-F2026 HydrophobicContact CE2-CB 4.36Å; Y1957-F2026 HydrophobicContact CE2-CD1 4.03Å; Y1957-F2026 HydrophobicContact CE2-CD2 4.03Å; Y1957-F2026 HydrophobicContact CE2-CE1 4.34Å; Y1957-F2026 HydrophobicContact CE2-CE2 4.35Å; Y1957-F2026 AromaticContact CE2-CG 3.86Å; Y1957-F2026 HydrophobicContact CE2-CG 3.86Å; Y1957-F2026 HydrophobicContact CE2-CZ 4.5Å; Y1957-F2026 AromaticContact CG-CD1 3.48Å; Y1957-F2026 HydrophobicContact CG-CD1 3.48Å; Y1957-F2026 VanDerWaalsContact CG-CD1 3.48Å; Y1957-F2026 AromaticContact CG-CE1 3.46Å; Y1957-F2026 HydrophobicContact CG-CE1 3.46Å; Y1957-F2026 VanDerWaalsContact CG-CE1 3.46Å; Y1957-F2026 HydrophobicContact CG-CG 4.17Å; Y1957-F2026 HydrophobicContact CG-CZ 4.14Å; Y1957-F2026 AromaticContact CZ-CG 3.96Å |
| 1958 | L | 88 | Confident | 82.3 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59 | -42.6 | 179.5 | -67.1 | 172 | 0 | 0 | 0 | 111.2 | I1954 W1955 K1960 Y1961 F1962 L1972 F1977 W1995 I1999 L2003 P2023 | I1954-L1958 HydrophobicContact CG2-CD1 3.79Å; I1954-L1958 HydrophobicContact CG2-CG 4.27Å; I1954-L1958 WeakPolarHBondContact O-CG 3.34Å; I1954-L1958 PolarHBondContact O-N 2.76Å; W1955-L1958 PolarHBondContact O-N 3.3Å; L1958-K1960 VanDerWaalsContact C-N 3.34Å; L1958-K1960 PolarHBondContact O-N 3.19Å; L1958-Y1961 WeakPolarHBondContact O-CB 3.32Å; L1958-Y1961 PolarHBondContact O-N 3.34Å; L1958-Y1961 VanDerWaalsContact O-N 3.13Å; L1958-F1962 VanDerWaalsContact O-CD2 3.27Å; L1958-F1962 WeakPolarHBondContact O-CD2 3.32Å; L1958-F1962 PolarHBondContact O-N 3.37Å; L1958-L1972 HydrophobicContact CB-CD1 4.13Å; L1958-L1972 HydrophobicContact CD1-CD1 3.87Å; L1958-F1977 HydrophobicContact CD1-CZ 4.31Å; L1958-W1995 HydrophobicContact CD1-CZ3 4.31Å; L1958-W1995 HydrophobicContact CD2-CH2 4.45Å; L1958-W1995 HydrophobicContact CD2-CZ3 4.13Å; L1958-I1999 HydrophobicContact CD1-CD1 4.25Å; L1958-I1999 HydrophobicContact CD1-CG2 4.12Å; L1958-L2003 HydrophobicContact CD2-CD1 4.41Å; L1958-P2023 HydrophobicContact CD2-CB 3.99Å |
| 1959 | Y | 84.3 | Confident | 80.8 | Confident | 5 Ų | 5 | 32.7 Ų | 32.7 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56 | -47.1 | 175.8 | -178.4 | -89.6 | 0 | 0 | 0 | 112.1 | V1789 R1889 Q1913 W1955 Y1957 Y1961 F1962 E1963 P1971 | V1789-Y1959 HydrophobicContact CG2-CD2 4.46Å; V1789-Y1959 HydrophobicContact CG2-CE2 3.76Å; R1889-Y1959 PolarHBondContact NH2-OH 3Å; Q1913-Y1959 WeakPolarHBondContact O-CE1 3.25Å; Q1913-Y1959 PolarHBondContact O-OH 2.82Å; W1955-Y1959 HydrophobicContact CH2-CD2 4.12Å; W1955-Y1959 HydrophobicContact CH2-CG 4.13Å; W1955-Y1959 AromaticContact CZ2-CD2 3.79Å; W1955-Y1959 HydrophobicContact CZ2-CD2 3.79Å; W1955-Y1959 HydrophobicContact CZ2-CG 4.12Å; W1955-Y1959 VanDerWaalsContact O-CB 3.3Å; W1955-Y1959 WeakPolarHBondContact O-CB 3.44Å; W1955-Y1959 PolarHBondContact O-N 2.98Å; Y1957-Y1959 VanDerWaalsContact C-N 3.31Å; Y1957-Y1959 PolarHBondContact O-N 2.92Å; Y1959-Y1961 VanDerWaalsContact C-N 3.32Å; Y1959-Y1961 PolarHBondContact O-N 3.38Å; Y1959-F1962 PolarHBondContact O-N 2.97Å; Y1959-E1963 HydrophobicContact CE1-CB 4.31Å; Y1959-E1963 WeakPolarHBondContact CE1-OE2 3.03Å; Y1959-E1963 WeakPolarHBondContact O-CB 3.17Å; Y1959-E1963 PolarHBondContact O-N 2.89Å; Y1959-P1971 HydrophobicContact CD2-CB 3.81Å; Y1959-P1971 HydrophobicContact CD2-CG 4.36Å; Y1959-P1971 HydrophobicContact CE2-CB 3.67Å; Y1959-P1971 HydrophobicContact CE2-CG 3.82Å |
| 1960 | K | 83.3 | Confident | 79.6 | Confident | 100 Ų | 100 | 36.1 Ų | 36.1 | 44% | 0.435 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -65.6 | -34.7 | 177.6 | -71.4 | 168.4 | -177.6 | 170.1 | 0 | 112.4 | S1956 Y1957 L1958 E1963 A1964 W2020 | S1956-K1960 WeakPolarHBondContact O-CD 3.43Å; S1956-K1960 WeakPolarHBondContact O-CG 3.47Å; S1956-K1960 PolarHBondContact O-N 3.47Å; Y1957-K1960 PolarHBondContact O-N 2.86Å; Y1957-K1960 VanDerWaalsContact O-N 3.14Å; L1958-K1960 VanDerWaalsContact C-N 3.34Å; L1958-K1960 PolarHBondContact O-N 3.19Å; K1960-E1963 PolarHBondContact O-N 3.41Å; K1960-A1964 WeakPolarHBondContact O-CB 3.16Å; K1960-A1964 PolarHBondContact O-N 2.94Å; K1960-W2020 HydrophobicContact CB-CH2 4.44Å |
| 1961 | Y | 83.4 | Confident | 78.5 | Confident | 4 Ų | 4 | 35.6 Ų | 35.6 | 2% | 0.016 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.9 | -51.1 | 173 | -169.5 | -87.3 | 0 | 0 | 0 | 110.8 | Y1957 L1958 Y1959 E1963 A1964 F1965 L2003 V2007 P2023 | Y1957-Y1961 PolarHBondContact O-N 2.85Å; L1958-Y1961 WeakPolarHBondContact O-CB 3.32Å; L1958-Y1961 PolarHBondContact O-N 3.34Å; L1958-Y1961 VanDerWaalsContact O-N 3.13Å; Y1959-Y1961 VanDerWaalsContact C-N 3.32Å; Y1959-Y1961 PolarHBondContact O-N 3.38Å; Y1961-E1963 VanDerWaalsContact C-N 3.3Å; Y1961-E1963 PolarHBondContact O-N 3.18Å; Y1961-A1964 PolarHBondContact O-N 2.85Å; Y1961-F1965 AromaticContact CD1-CD2 3.83Å; Y1961-F1965 HydrophobicContact CD1-CD2 3.83Å; Y1961-F1965 AromaticContact CD2-CD2 3.62Å; Y1961-F1965 HydrophobicContact CD2-CD2 3.62Å; Y1961-F1965 AromaticContact CD2-CE2 3.48Å; Y1961-F1965 HydrophobicContact CD2-CE2 3.48Å; Y1961-F1965 VanDerWaalsContact CD2-CE2 3.48Å; Y1961-F1965 AromaticContact CE1-CD2 3.75Å; Y1961-F1965 HydrophobicContact CE1-CD2 3.75Å; Y1961-F1965 HydrophobicContact CE1-CE2 4.34Å; Y1961-F1965 HydrophobicContact CE1-CG 4.25Å; Y1961-F1965 AromaticContact CE2-CD2 3.55Å; Y1961-F1965 HydrophobicContact CE2-CD2 3.55Å; Y1961-F1965 AromaticContact CE2-CE2 3.27Å; Y1961-F1965 HydrophobicContact CE2-CE2 3.27Å; Y1961-F1965 HydrophobicContact CE2-CZ 4.08Å; Y1961-F1965 AromaticContact CG-CD2 3.76Å; Y1961-F1965 HydrophobicContact CG-CD2 3.76Å; Y1961-F1965 HydrophobicContact CG-CE2 4.12Å; Y1961-F1965 AromaticContact CZ-CD2 3.61Å; Y1961-F1965 AromaticContact CZ-CE2 3.75Å; Y1961-F1965 VanDerWaalsContact O-CD2 3.3Å; Y1961-F1965 WeakPolarHBondContact O-CD2 3.35Å; Y1961-F1965 PolarHBondContact O-N 2.77Å; Y1961-L2003 HydrophobicContact CD1-CD2 3.8Å; Y1961-L2003 HydrophobicContact CE1-CD2 3.82Å; Y1961-V2007 HydrophobicContact CE1-CG2 3.95Å; Y1961-P2023 HydrophobicContact CD1-CG 3.89Å; Y1961-P2023 HydrophobicContact CD2-CG 3.71Å; Y1961-P2023 HydrophobicContact CE1-CG 3.71Å; Y1961-P2023 HydrophobicContact CE2-CG 3.51Å; Y1961-P2023 HydrophobicContact CG-CG 3.9Å |
| 1962 | F | 80 | Confident | 77.7 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.8 | -36.2 | 174.3 | -81.4 | -79.9 | 0 | 0 | 0 | 112.7 | L1958 Y1959 A1966 P1971 L1972 E2002 L2003 T2006 | L1958-F1962 VanDerWaalsContact O-CD2 3.27Å; L1958-F1962 WeakPolarHBondContact O-CD2 3.32Å; L1958-F1962 PolarHBondContact O-N 3.37Å; Y1959-F1962 PolarHBondContact O-N 2.97Å; F1962-A1966 CarbonylContact O-C 3.6Å; F1962-A1966 VanDerWaalsContact O-CA 3.3Å; F1962-A1966 WeakPolarHBondContact O-CA 3.4Å; F1962-A1966 WeakPolarHBondContact O-CB 3.41Å; F1962-A1966 PolarHBondContact O-N 3.3Å; F1962-P1971 HydrophobicContact CB-CB 4.35Å; F1962-L1972 HydrophobicContact CD2-CD1 4.31Å; F1962-L1972 HydrophobicContact CD2-CG 4.18Å; F1962-L1972 HydrophobicContact CE2-CD1 3.62Å; F1962-L1972 HydrophobicContact CE2-CD2 4.42Å; F1962-L1972 HydrophobicContact CE2-CG 3.6Å; F1962-L1972 HydrophobicContact CZ-CD1 4.4Å; F1962-L1972 HydrophobicContact CZ-CG 4.12Å; F1962-E2002 HydrophobicContact CE1-CG 4.3Å; F1962-E2002 HydrophobicContact CZ-CB 4.36Å; F1962-E2002 HydrophobicContact CZ-CG 4.31Å; F1962-L2003 HydrophobicContact CD2-CD2 4.4Å; F1962-L2003 HydrophobicContact CE1-CD2 4.28Å; F1962-L2003 HydrophobicContact CE2-CD2 3.59Å; F1962-L2003 HydrophobicContact CE2-CG 4.15Å; F1962-L2003 HydrophobicContact CZ-CD2 3.53Å; F1962-L2003 HydrophobicContact CZ-CG 3.88Å; F1962-T2006 HydrophobicContact CD1-CG2 4.31Å; F1962-T2006 HydrophobicContact CE1-CG2 3.97Å; F1962-T2006 WeakPolarHBondContact CE1-OG1 3.4Å |
| 1963 | E | 75.5 | Confident | 77.1 | Confident | 92 Ų | 92 | 37 Ų | 37 | 43% | 0.43 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.4 | -39.7 | 175.2 | -169.5 | -177.8 | 177.2 | 0 | 0 | 112.4 | Y1959 K1960 Y1961 | Y1959-E1963 HydrophobicContact CE1-CB 4.31Å; Y1959-E1963 WeakPolarHBondContact CE1-OE2 3.03Å; Y1959-E1963 WeakPolarHBondContact O-CB 3.17Å; Y1959-E1963 PolarHBondContact O-N 2.89Å; K1960-E1963 PolarHBondContact O-N 3.41Å; Y1961-E1963 VanDerWaalsContact C-N 3.3Å; Y1961-E1963 PolarHBondContact O-N 3.18Å |
| 1964 | A | 76.3 | Confident | 76.7 | Confident | 45 Ų | 45 | 31.7 Ų | 31.7 | 37% | 0.372 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -75.7 | -45.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1960 Y1961 W2020 | K1960-A1964 WeakPolarHBondContact O-CB 3.16Å; K1960-A1964 PolarHBondContact O-N 2.94Å; Y1961-A1964 PolarHBondContact O-N 2.85Å; A1964-W2020 HydrophobicContact CB-CZ2 4.48Å |
| 1965 | F | 70.9 | Confident | 76.2 | Confident | 29 Ų | 29 | 33.3 Ų | 33.3 | 13% | 0.127 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -92.4 | -26.6 | -173.2 | -69.5 | -78.3 | 0 | 0 | 0 | 113.6 | Y1961 P1967 A2010 C2017 W2020 | Y1961-F1965 AromaticContact CD1-CD2 3.83Å; Y1961-F1965 HydrophobicContact CD1-CD2 3.83Å; Y1961-F1965 AromaticContact CD2-CD2 3.62Å; Y1961-F1965 HydrophobicContact CD2-CD2 3.62Å; Y1961-F1965 AromaticContact CD2-CE2 3.48Å; Y1961-F1965 HydrophobicContact CD2-CE2 3.48Å; Y1961-F1965 VanDerWaalsContact CD2-CE2 3.48Å; Y1961-F1965 AromaticContact CE1-CD2 3.75Å; Y1961-F1965 HydrophobicContact CE1-CD2 3.75Å; Y1961-F1965 HydrophobicContact CE1-CE2 4.34Å; Y1961-F1965 HydrophobicContact CE1-CG 4.25Å; Y1961-F1965 AromaticContact CE2-CD2 3.55Å; Y1961-F1965 HydrophobicContact CE2-CD2 3.55Å; Y1961-F1965 AromaticContact CE2-CE2 3.27Å; Y1961-F1965 HydrophobicContact CE2-CE2 3.27Å; Y1961-F1965 HydrophobicContact CE2-CZ 4.08Å; Y1961-F1965 AromaticContact CG-CD2 3.76Å; Y1961-F1965 HydrophobicContact CG-CD2 3.76Å; Y1961-F1965 HydrophobicContact CG-CE2 4.12Å; Y1961-F1965 AromaticContact CZ-CD2 3.61Å; Y1961-F1965 AromaticContact CZ-CE2 3.75Å; Y1961-F1965 VanDerWaalsContact O-CD2 3.3Å; Y1961-F1965 WeakPolarHBondContact O-CD2 3.35Å; Y1961-F1965 PolarHBondContact O-N 2.77Å; F1965-P1967 VanDerWaalsContact C-CD 3.48Å; F1965-A2010 HydrophobicContact CB-CB 3.89Å; F1965-A2010 HydrophobicContact CD1-CB 4.03Å; F1965-A2010 HydrophobicContact CG-CB 4.46Å; F1965-A2010 WeakPolarHBondContact O-CB 3.47Å; F1965-C2017 HydrophobicContact CE1-CB 3.98Å; F1965-W2020 HydrophobicContact CE2-CB 3.99Å; F1965-W2020 AromaticContact CE2-CD1 3.97Å; F1965-W2020 HydrophobicContact CE2-CD2 4.4Å; F1965-W2020 AromaticContact CE2-CG 3.85Å; F1965-W2020 HydrophobicContact CE2-CG 3.85Å; F1965-W2020 HydrophobicContact CZ-CB 3.91Å; F1965-W2020 AromaticContact CZ-CD1 3.81Å; F1965-W2020 AromaticContact CZ-CG 3.95Å; F1965-W2020 HydrophobicContact CZ-CG 3.95Å |
| 1966 | A | 68.1 | Low | 76 | Confident | 14 Ų | 14 | 36 Ų | 36 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | trans | -130.4 | 66.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1962 G1968 G1969 T2006 | F1962-A1966 CarbonylContact O-C 3.6Å; F1962-A1966 VanDerWaalsContact O-CA 3.3Å; F1962-A1966 WeakPolarHBondContact O-CA 3.4Å; F1962-A1966 WeakPolarHBondContact O-CB 3.41Å; F1962-A1966 PolarHBondContact O-N 3.3Å; A1966-G1968 PolarHBondContact O-N 3.13Å; A1966-G1969 PolarHBondContact O-N 3.3Å; A1966-T2006 HydrophobicContact CB-CG2 4.1Å | ||
| 1967 | P | 58 | Low | 76.1 | Confident | 99 Ų | 99 | 35.6 Ų | 35.6 | 64% | 0.643 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 53.9 | -178.9 | 31 | -37.8 | 0 | 0 | 0 | 114.2 | F1965 | F1965-P1967 VanDerWaalsContact C-CD 3.48Š|
| 1968 | G | 55.5 | Low | 76 | Confident | 50 Ų | 50 | 35.7 Ų | 35.7 | 52% | 0.515 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 170.6 | -20.4 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1966 | A1966-G1968 PolarHBondContact O-N 3.13Š|
| 1969 | G | 59.9 | Low | 75.9 | Confident | 28 Ų | 28 | 40.9 Ų | 40.9 | 29% | 0.289 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -68.3 | 168.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R1889 A1966 | R1889-G1969 PolarHBondContact NH1-O 2.96Å; A1966-G1969 PolarHBondContact O-N 3.3Å |
| 1970 | M | 63.5 | Low | 76.1 | Confident | 121 Ų | 121 | 40.6 Ų | 40.6 | 60% | 0.596 | 24% | 0.24 | S | C | * | . | P | Polyproline II helix | trans | -78.2 | 120.9 | 169.8 | -174.3 | 171.3 | 68.6 | 0 | 0 | 109.1 | P1790 | P1790-M1970 HydrophobicContact CB-SD 4.41Å; P1790-M1970 HydrophobicContact CG-CG 3.91Å; P1790-M1970 HydrophobicContact CG-SD 4.28Å |
| 1971 | P | 68.7 | Low | 76.4 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.013 | 23% | 0.228 | C | C | . | . | P | Polyproline II helix | trans | -79.9 | 153.6 | 176 | 34.7 | -33.3 | 0 | 0 | 0 | 109.5 | P1790 Y1959 F1962 S1973 | P1790-P1971 VanDerWaalsContact CD-O 3.3Å; P1790-P1971 WeakPolarHBondContact CD-O 3.38Å; P1790-P1971 WeakPolarHBondContact CG-O 3.32Å; Y1959-P1971 HydrophobicContact CD2-CB 3.81Å; Y1959-P1971 HydrophobicContact CD2-CG 4.36Å; Y1959-P1971 HydrophobicContact CE2-CB 3.67Å; Y1959-P1971 HydrophobicContact CE2-CG 3.82Å; F1962-P1971 HydrophobicContact CB-CB 4.35Å; P1971-S1973 PolarHBondContact O-N 3Å |
| 1972 | L | 78.2 | Confident | 76.5 | Confident | 10 Ų | 10 | 38.8 Ų | 38.8 | 5% | 0.052 | 24% | 0.236 | C | C | . | . | P | Polyproline II helix | trans | -55.5 | 132.1 | 177.3 | -65.4 | 172.7 | 0 | 0 | 0 | 111.8 | W1955 L1958 F1962 L1976 I1999 E2002 | W1955-L1972 PolarHBondContact NE1-O 3.49Å; L1958-L1972 HydrophobicContact CB-CD1 4.13Å; L1958-L1972 HydrophobicContact CD1-CD1 3.87Å; F1962-L1972 HydrophobicContact CD2-CD1 4.31Å; F1962-L1972 HydrophobicContact CD2-CG 4.18Å; F1962-L1972 HydrophobicContact CE2-CD1 3.62Å; F1962-L1972 HydrophobicContact CE2-CD2 4.42Å; F1962-L1972 HydrophobicContact CE2-CG 3.6Å; F1962-L1972 HydrophobicContact CZ-CD1 4.4Å; F1962-L1972 HydrophobicContact CZ-CG 4.12Å; L1972-L1976 HydrophobicContact CB-CD1 4.34Å; L1972-L1976 HydrophobicContact CD2-CD1 4.1Å; L1972-I1999 HydrophobicContact CD1-CB 4.39Å; L1972-I1999 HydrophobicContact CD1-CD1 4.42Å; L1972-I1999 HydrophobicContact CD1-CG1 3.95Å; L1972-I1999 HydrophobicContact CD1-CG2 3.85Å; L1972-I1999 HydrophobicContact CD2-CG1 4.35Å; L1972-E2002 HydrophobicContact CD2-CB 4.46Å |
| 1973 | S | 78 | Confident | 76.8 | Confident | 23 Ų | 23 | 41.3 Ų | 41.3 | 16% | 0.161 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -63.4 | 137.3 | 173.1 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | P1790 P1971 D1975 L1976 | P1790-S1973 WeakPolarHBondContact O-CA 3.41Å; P1790-S1973 WeakPolarHBondContact O-CB 3.43Å; P1790-S1973 PolarHBondContact O-OG 2.92Å; P1971-S1973 PolarHBondContact O-N 3Å; S1973-D1975 PolarHBondContact O-N 2.69Å; S1973-D1975 WeakPolarHBondContact OG-CB 3.35Å; S1973-D1975 PolarHBondContact OG-N 3.42Å; S1973-D1975 VanDerWaalsContact OG-N 3.1Å; S1973-L1976 WeakPolarHBondContact O-CB 3.32Å; S1973-L1976 PolarHBondContact O-N 3.16Å |
| 1974 | P | 82.3 | Confident | 77.2 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -67.3 | -23.4 | 169.3 | 29 | -34.5 | 0 | 0 | 0 | 111.7 | V1789 M1791 L1921 W1955 L1976 F1977 | V1789-P1974 HydrophobicContact CG1-CG 4.4Å; M1791-P1974 HydrophobicContact CG-CG 3.67Å; M1791-P1974 HydrophobicContact SD-CG 3.77Å; L1921-P1974 HydrophobicContact CD2-CB 4.29Å; W1955-P1974 HydrophobicContact CD2-CB 4.03Å; W1955-P1974 HydrophobicContact CG-CB 4.43Å; W1955-P1974 HydrophobicContact CZ2-CB 4.07Å; W1955-P1974 HydrophobicContact CZ2-CG 4.25Å; P1974-L1976 PolarHBondContact O-N 3.14Å; P1974-F1977 PolarHBondContact O-N 3Å; P1974-F1977 VanDerWaalsContact O-N 3.07Å |
| 1975 | D | 80.6 | Confident | 77.6 | Confident | 33 Ų | 33 | 42.2 Ų | 42.2 | 18% | 0.176 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -68.5 | -23.7 | -178.8 | -57.6 | -48.4 | 0 | 0 | 0 | 111.3 | M1791 N1792 R1920 S1973 F1977 V1978 | M1791-D1975 VanDerWaalsContact CA-OD2 3.27Å; M1791-D1975 WeakPolarHBondContact CA-OD2 3.32Å; N1792-D1975 PolarHBondContact N-OD2 3.33Å; N1792-D1975 PolarHBondContact OD1-OD2 3.14Å; R1920-D1975 IonicContact NH1-OD1 2.69Å; R1920-D1975 PolarHBondContact NH1-OD1 3.41Å; S1973-D1975 PolarHBondContact O-N 2.69Å; S1973-D1975 WeakPolarHBondContact OG-CB 3.35Å; S1973-D1975 PolarHBondContact OG-N 3.42Å; S1973-D1975 VanDerWaalsContact OG-N 3.1Å; D1975-F1977 PolarHBondContact O-N 3.48Å; D1975-V1978 WeakPolarHBondContact O-CB 3.47Å; D1975-V1978 PolarHBondContact O-N 3.34Å |
| 1976 | L | 85.9 | Confident | 78.5 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -54.1 | -25.6 | 168.8 | -71.5 | 169.5 | 0 | 0 | 0 | 113.7 | L1972 S1973 P1974 W1990 L1994 V1998 | L1972-L1976 HydrophobicContact CB-CD1 4.34Å; L1972-L1976 HydrophobicContact CD2-CD1 4.1Å; S1973-L1976 WeakPolarHBondContact O-CB 3.32Å; S1973-L1976 PolarHBondContact O-N 3.16Å; P1974-L1976 PolarHBondContact O-N 3.14Å; L1976-W1990 WeakPolarHBondContact O-CZ2 3.32Å; L1976-L1994 HydrophobicContact CB-CD1 4.37Å; L1976-L1994 HydrophobicContact CD2-CD1 4.41Å; L1976-V1998 HydrophobicContact CD1-CG1 4.47Å; L1976-V1998 HydrophobicContact CD2-CG1 4.37Å |
| 1977 | F | 89.7 | Confident | 79.6 | Confident | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -95.8 | -9.8 | -178.2 | -68.9 | -98.9 | 0 | 0 | 0 | 112.9 | L1921 L1951 I1954 W1955 L1958 P1974 D1975 F1991 L1994 I1999 | L1921-F1977 HydrophobicContact CD1-CB 3.96Å; L1921-F1977 HydrophobicContact CD2-CB 3.92Å; L1921-F1977 HydrophobicContact CD2-CG 4.47Å; L1951-F1977 HydrophobicContact CB-CD1 4.14Å; L1951-F1977 HydrophobicContact CD2-CD1 4.01Å; L1951-F1977 HydrophobicContact CD2-CE1 4.36Å; I1954-F1977 HydrophobicContact CG2-CE1 4.42Å; W1955-F1977 HydrophobicContact CB-CD2 4.14Å; W1955-F1977 HydrophobicContact CB-CE2 4.07Å; W1955-F1977 HydrophobicContact CB-CG 4.49Å; W1955-F1977 HydrophobicContact CB-CZ 4.32Å; W1955-F1977 AromaticContact CD1-CD2 3.81Å; W1955-F1977 AromaticContact CD1-CE2 3.66Å; W1955-F1977 HydrophobicContact CG-CD2 4.27Å; W1955-F1977 HydrophobicContact CG-CE2 4.26Å; L1958-F1977 HydrophobicContact CD1-CZ 4.31Å; P1974-F1977 PolarHBondContact O-N 3Å; P1974-F1977 VanDerWaalsContact O-N 3.07Å; D1975-F1977 PolarHBondContact O-N 3.48Å; F1977-F1991 HydrophobicContact CE1-CE2 4.29Å; F1977-L1994 HydrophobicContact CD1-CD2 4.41Å; F1977-L1994 HydrophobicContact CE1-CD2 4.27Å; F1977-L1994 HydrophobicContact CZ-CD2 4.41Å; F1977-I1999 HydrophobicContact CE2-CD1 4.44Å; F1977-I1999 HydrophobicContact CZ-CD1 3.79Å |
| 1978 | V | 85.8 | Confident | 81.1 | Confident | 29 Ų | 29 | 41.9 Ų | 41.9 | 18% | 0.176 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -33.8 | -174.1 | 168.2 | 0 | 0 | 0 | 0 | 112.1 | L1921 V1924 R1928 D1975 C1980 | L1921-V1978 HydrophobicContact CD1-CG2 3.7Å; V1924-V1978 HydrophobicContact CG1-CG1 3.71Å; V1924-V1978 HydrophobicContact CG1-CG2 4.13Å; R1928-V1978 WeakPolarHBondContact CD-O 3.4Å; R1928-V1978 VanDerWaalsContact CZ-O 3.22Å; R1928-V1978 PolarHBondContact NH1-O 3.01Å; D1975-V1978 WeakPolarHBondContact O-CB 3.47Å; D1975-V1978 PolarHBondContact O-N 3.34Å; V1978-C1980 VanDerWaalsContact C-N 3.34Å; V1978-C1980 PolarHBondContact O-N 2.85Å |
| 1979 | D | 85.8 | Confident | 82.8 | Confident | 109 Ų | 109 | 44.1 Ų | 44.1 | 58% | 0.583 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.5 | -170.6 | -70.8 | -41.5 | 0 | 0 | 0 | 115.5 | R1928 | R1928-D1979 PolarHBondContact NH2-O 3.37Å; R1928-D1979 VanDerWaalsContact NH2-O 3.12Å |
| 1980 | C | 89 | Confident | 84.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -34.2 | 121.5 | -179.7 | -176 | 0 | 0 | 0 | 0 | 113.1 | L1925 R1928 F1948 L1951 V1978 W1990 | L1925-C1980 HydrophobicContact CD2-CB 4.5Å; R1928-C1980 PolarHBondContact NH1-O 3.08Å; F1948-C1980 HydrophobicContact CE1-CB 4.26Å; F1948-C1980 HydrophobicContact CZ-CB 4.45Å; L1951-C1980 HydrophobicContact CD1-CB 3.94Å; V1978-C1980 VanDerWaalsContact C-N 3.34Å; V1978-C1980 PolarHBondContact O-N 2.85Å; C1980-W1990 HydrophobicContact CB-CD2 4.37Å; C1980-W1990 HydrophobicContact CB-CE3 3.97Å; C1980-W1990 HydrophobicContact CB-CH2 3.56Å; C1980-W1990 HydrophobicContact CB-CZ2 3.97Å; C1980-W1990 HydrophobicContact CB-CZ3 3.55Å; C1980-W1990 VanDerWaalsContact SG-CZ3 3.56Å | ||
| 1981 | P | 90 | Very high | 85.9 | Confident | 28 Ų | 28 | 39.6 Ų | 39.6 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | trans | -66.3 | 156.9 | -174.4 | 26.7 | -35.1 | 0 | 0 | 0 | 112.2 | D1983 E1986 W1990 | P1981-D1983 PolarHBondContact O-N 2.85Å; P1981-E1986 HydrophobicContact CB-CB 3.87Å; P1981-E1986 VanDerWaalsContact CG-C 3.48Å; P1981-E1986 HydrophobicContact CG-CB 3.6Å; P1981-W1990 HydrophobicContact CG-CB 3.93Å; P1981-W1990 HydrophobicContact CG-CG 4.28Å | ||
| 1982 | L | 84.8 | Confident | 86.9 | Confident | 37 Ų | 37 | 39.9 Ų | 39.9 | 19% | 0.194 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -91.5 | 36.3 | -173.7 | -66.2 | 169.2 | 0 | 0 | 0 | 112.8 | R1936 L1944 F1948 | R1936-L1982 VanDerWaalsContact NH2-CB 3.31Å; R1936-L1982 PolarHBondContact NH2-O 3.05Å; L1944-L1982 HydrophobicContact CD2-CD2 4.43Å; F1948-L1982 HydrophobicContact CE2-CD2 3.91Å; F1948-L1982 HydrophobicContact CZ-CD2 3.68Å |
| 1983 | D | 85.4 | Confident | 87.6 | Confident | 57 Ų | 57 | 41.6 Ų | 41.6 | 31% | 0.305 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -135.4 | 152.8 | 171.4 | -178.1 | -96.5 | 0 | 0 | 0 | 111.2 | P1981 Q1985 E1986 S1987 | P1981-D1983 PolarHBondContact O-N 2.85Å; D1983-Q1985 PolarHBondContact OD1-N 3.18Å; D1983-E1986 HydrophobicContact CB-CB 4.1Å; D1983-E1986 HydrophobicContact CB-CG 3.98Å; D1983-E1986 PolarHBondContact OD1-N 2.78Å; D1983-S1987 WeakPolarHBondContact O-CB 3.4Å; D1983-S1987 PolarHBondContact O-N 3.4Å; D1983-S1987 PolarHBondContact O-OG 2.99Å |
| 1984 | K | 84.9 | Confident | 88.3 | Confident | 44 Ų | 44 | 41.3 Ų | 41.3 | 19% | 0.191 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.6 | -41.8 | -177.6 | 178.9 | -178.9 | 175.9 | 177.1 | 0 | 113.3 | E1943 S1987 R1988 W2033 D2035 | E1943-K1984 WeakPolarHBondContact OE2-CD 3.33Å; E1943-K1984 VanDerWaalsContact OE2-CE 3.31Å; E1943-K1984 WeakPolarHBondContact OE2-CE 3.47Å; E1943-K1984 IonicContact OE2-NZ 2.58Å; E1943-K1984 PolarHBondContact OE2-NZ 3.01Å; K1984-S1987 PolarHBondContact O-OG 2.78Å; K1984-S1987 VanDerWaalsContact O-OG 3.1Å; K1984-R1988 PolarHBondContact O-N 2.97Å; K1984-W2033 PolarHBondContact O-NE1 3.13Å; K1984-W2033 VanDerWaalsContact O-NE1 3.17Å; K1984-D2035 IonicContact NZ-OD2 3.71Å; K1984-D2035 PolarHBondContact NZ-OD2 2.91Å |
| 1985 | Q | 85.1 | Confident | 88.7 | Confident | 112 Ų | 112 | 41.1 Ų | 41.1 | 52% | 0.523 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -79.1 | -44 | -176.8 | -172 | 81.9 | -26.7 | 0 | 0 | 110.1 | D1983 S1987 R1988 Q1989 | D1983-Q1985 PolarHBondContact OD1-N 3.18Å; Q1985-S1987 VanDerWaalsContact C-N 3.32Å; Q1985-S1987 PolarHBondContact O-N 3.26Å; Q1985-R1988 VanDerWaalsContact CD-NH2 3.31Å; Q1985-R1988 PolarHBondContact O-N 3.17Å; Q1985-R1988 VanDerWaalsContact OE1-CZ 3.27Å; Q1985-Q1989 PolarHBondContact O-N 3.35Å; Q1985-Q1989 VanDerWaalsContact O-N 3.11Å |
| 1986 | E | 89.4 | Confident | 89.3 | Confident | 116 Ų | 116 | 41 Ų | 41 | 54% | 0.542 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.4 | -60.9 | -179.8 | 163.7 | 0 | 0 | 111.4 | P1981 D1983 R1988 Q1989 W1990 | P1981-E1986 HydrophobicContact CB-CB 3.87Å; P1981-E1986 VanDerWaalsContact CG-C 3.48Å; P1981-E1986 HydrophobicContact CG-CB 3.6Å; D1983-E1986 HydrophobicContact CB-CB 4.1Å; D1983-E1986 HydrophobicContact CB-CG 3.98Å; D1983-E1986 PolarHBondContact OD1-N 2.78Å; E1986-R1988 VanDerWaalsContact C-N 3.33Å; E1986-R1988 PolarHBondContact O-N 3.29Å; E1986-Q1989 PolarHBondContact O-N 3.07Å; E1986-W1990 VanDerWaalsContact O-CB 3.23Å; E1986-W1990 WeakPolarHBondContact O-CB 3.26Å; E1986-W1990 PolarHBondContact O-N 2.97Å |
| 1987 | S | 90.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.4 | -31.7 | 179.3 | 55.1 | 0 | 0 | 0 | 0 | 113 | D1983 K1984 Q1985 F1991 W2033 | D1983-S1987 WeakPolarHBondContact O-CB 3.4Å; D1983-S1987 PolarHBondContact O-N 3.4Å; D1983-S1987 PolarHBondContact O-OG 2.99Å; K1984-S1987 PolarHBondContact O-OG 2.78Å; K1984-S1987 VanDerWaalsContact O-OG 3.1Å; Q1985-S1987 VanDerWaalsContact C-N 3.32Å; Q1985-S1987 PolarHBondContact O-N 3.26Å; S1987-F1991 WeakPolarHBondContact O-CB 3.39Å; S1987-F1991 PolarHBondContact O-N 3.27Å; S1987-W2033 WeakPolarHBondContact O-CZ2 3.44Å; S1987-W2033 PolarHBondContact OG-NE1 3.01Å |
| 1988 | R | 91 | Very high | 89.4 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 8% | 0.075 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.9 | -49.2 | 171.9 | -162.5 | -179.9 | 71 | -122.4 | -17.9 | 110.6 | K1984 Q1985 E1986 F1991 V1992 W2031 W2033 D2035 L2042 | K1984-R1988 PolarHBondContact O-N 2.97Å; Q1985-R1988 VanDerWaalsContact CD-NH2 3.31Å; Q1985-R1988 PolarHBondContact O-N 3.17Å; Q1985-R1988 VanDerWaalsContact OE1-CZ 3.27Å; E1986-R1988 VanDerWaalsContact C-N 3.33Å; E1986-R1988 PolarHBondContact O-N 3.29Å; R1988-F1991 PolarHBondContact O-N 3.1Å; R1988-V1992 VanDerWaalsContact O-CG2 3.29Å; R1988-V1992 WeakPolarHBondContact O-CG2 3.38Å; R1988-V1992 PolarHBondContact O-N 3.08Å; R1988-W2031 HydrophobicContact CG-CH2 4.23Å; R1988-W2031 HydrophobicContact CG-CZ2 3.73Å; R1988-W2033 HydrophobicContact CB-CD2 3.97Å; R1988-W2033 HydrophobicContact CB-CG 3.95Å; R1988-W2033 HydrophobicContact CB-CZ2 4.43Å; R1988-W2033 HydrophobicContact CG-CB 4.21Å; R1988-W2033 HydrophobicContact CG-CD2 3.81Å; R1988-W2033 HydrophobicContact CG-CE3 4.2Å; R1988-W2033 HydrophobicContact CG-CG 3.81Å; R1988-D2035 PolarHBondContact NH1-O 2.7Å; R1988-D2035 VanDerWaalsContact NH1-O 3.12Å; R1988-L2042 HydrophobicContact CG-CD1 4.41Å |
| 1989 | Q | 90.7 | Very high | 89.5 | Confident | 96 Ų | 96 | 46.9 Ų | 46.9 | 45% | 0.449 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.4 | -47.8 | -179.3 | -175.7 | 55.9 | 45.3 | 0 | 0 | 111.6 | Q1985 E1986 F1991 V1992 D1993 | Q1985-Q1989 PolarHBondContact O-N 3.35Å; Q1985-Q1989 VanDerWaalsContact O-N 3.11Å; E1986-Q1989 PolarHBondContact O-N 3.07Å; Q1989-F1991 VanDerWaalsContact C-N 3.3Å; Q1989-F1991 PolarHBondContact O-N 2.84Å; Q1989-V1992 PolarHBondContact O-N 3.26Å; Q1989-V1992 VanDerWaalsContact O-N 3.14Å; Q1989-D1993 PolarHBondContact NE2-OD2 2.74Å; Q1989-D1993 PolarHBondContact O-N 3.17Å |
| 1990 | W | 93.6 | Very high | 89.6 | Confident | 54 Ų | 54 | 42.5 Ų | 42.5 | 21% | 0.205 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.8 | -41.1 | 174.7 | 166.9 | 87.9 | 0 | 0 | 0 | 112.5 | L1951 L1976 C1980 P1981 E1986 D1993 L1994 | L1951-W1990 HydrophobicContact CD1-CH2 4.33Å; L1951-W1990 HydrophobicContact CD1-CZ3 4.07Å; L1951-W1990 HydrophobicContact CD2-CZ3 4.17Å; L1976-W1990 WeakPolarHBondContact O-CZ2 3.32Å; C1980-W1990 HydrophobicContact CB-CD2 4.37Å; C1980-W1990 HydrophobicContact CB-CE3 3.97Å; C1980-W1990 HydrophobicContact CB-CH2 3.56Å; C1980-W1990 HydrophobicContact CB-CZ2 3.97Å; C1980-W1990 HydrophobicContact CB-CZ3 3.55Å; C1980-W1990 VanDerWaalsContact SG-CZ3 3.56Å; P1981-W1990 HydrophobicContact CG-CB 3.93Å; P1981-W1990 HydrophobicContact CG-CG 4.28Å; E1986-W1990 VanDerWaalsContact O-CB 3.23Å; E1986-W1990 WeakPolarHBondContact O-CB 3.26Å; E1986-W1990 PolarHBondContact O-N 2.97Å; W1990-D1993 PolarHBondContact O-N 2.93Å; W1990-L1994 HydrophobicContact CH2-CD2 3.86Å; W1990-L1994 HydrophobicContact CZ2-CD2 3.87Å; W1990-L1994 HydrophobicContact CZ3-CD2 4.46Å; W1990-L1994 VanDerWaalsContact O-CB 3.26Å; W1990-L1994 WeakPolarHBondContact O-CB 3.42Å; W1990-L1994 PolarHBondContact O-N 3.14Å |
| 1991 | F | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.3 | -39.7 | 177.1 | -176 | -88 | 0 | 0 | 0 | 112.2 | W1950 L1951 I1954 F1977 S1987 R1988 Q1989 D1993 L1994 W1995 I2027 W2031 W2033 L2043 | W1950-F1991 HydrophobicContact CH2-CD1 4.38Å; W1950-F1991 HydrophobicContact CH2-CD2 4.42Å; W1950-F1991 AromaticContact CH2-CE1 3.82Å; W1950-F1991 HydrophobicContact CH2-CE1 3.82Å; W1950-F1991 AromaticContact CH2-CE2 3.83Å; W1950-F1991 HydrophobicContact CH2-CE2 3.83Å; W1950-F1991 AromaticContact CH2-CZ 3.51Å; W1950-F1991 HydrophobicContact CH2-CZ 3.51Å; W1950-F1991 AromaticContact CZ3-CD2 3.94Å; W1950-F1991 HydrophobicContact CZ3-CD2 3.94Å; W1950-F1991 HydrophobicContact CZ3-CE1 4.29Å; W1950-F1991 AromaticContact CZ3-CE2 3.62Å; W1950-F1991 HydrophobicContact CZ3-CE2 3.62Å; W1950-F1991 HydrophobicContact CZ3-CG 4.38Å; W1950-F1991 AromaticContact CZ3-CZ 3.83Å; W1950-F1991 HydrophobicContact CZ3-CZ 3.83Å; L1951-F1991 HydrophobicContact CD2-CD2 3.69Å; L1951-F1991 HydrophobicContact CD2-CE2 3.93Å; I1954-F1991 HydrophobicContact CG2-CZ 4.49Å; F1977-F1991 HydrophobicContact CE1-CE2 4.29Å; S1987-F1991 WeakPolarHBondContact O-CB 3.39Å; S1987-F1991 PolarHBondContact O-N 3.27Å; R1988-F1991 PolarHBondContact O-N 3.1Å; Q1989-F1991 VanDerWaalsContact C-N 3.3Å; Q1989-F1991 PolarHBondContact O-N 2.84Å; F1991-D1993 VanDerWaalsContact C-N 3.34Å; F1991-L1994 PolarHBondContact O-N 2.78Å; F1991-W1995 HydrophobicContact CE1-CB 4.39Å; F1991-W1995 VanDerWaalsContact O-CB 3.29Å; F1991-W1995 WeakPolarHBondContact O-CB 3.46Å; F1991-W1995 PolarHBondContact O-N 2.94Å; F1991-I2027 HydrophobicContact CE1-CG2 3.97Å; F1991-I2027 HydrophobicContact CZ-CD1 4.44Å; F1991-I2027 HydrophobicContact CZ-CG2 4.18Å; F1991-W2031 HydrophobicContact CD1-CH2 4.12Å; F1991-W2031 AromaticContact CD1-CZ3 3.73Å; F1991-W2031 HydrophobicContact CD1-CZ3 3.73Å; F1991-W2031 AromaticContact CE1-CZ3 3.83Å; F1991-W2031 HydrophobicContact CE1-CZ3 3.83Å; F1991-W2033 HydrophobicContact CB-CH2 3.58Å; F1991-W2033 HydrophobicContact CB-CZ2 4.29Å; F1991-W2033 HydrophobicContact CB-CZ3 4.23Å; F1991-W2033 HydrophobicContact CD1-CH2 4.25Å; F1991-W2033 HydrophobicContact CD1-CZ3 4.12Å; F1991-W2033 HydrophobicContact CD2-CH2 4.27Å; F1991-W2033 AromaticContact CG-CH2 3.76Å; F1991-W2033 HydrophobicContact CG-CH2 3.76Å; F1991-W2033 HydrophobicContact CG-CZ3 4.11Å; F1991-L2043 HydrophobicContact CD1-CD2 4.43Å; F1991-L2043 HydrophobicContact CE1-CD2 4.33Å |
| 1992 | V | 91.7 | Very high | 89 | Confident | 8 Ų | 8 | 45.6 Ų | 45.6 | 5% | 0.048 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 175.1 | 170 | 0 | 0 | 0 | 0 | 111 | R1988 Q1989 N1996 W2031 L2042 L2043 | R1988-V1992 VanDerWaalsContact O-CG2 3.29Å; R1988-V1992 WeakPolarHBondContact O-CG2 3.38Å; R1988-V1992 PolarHBondContact O-N 3.08Å; Q1989-V1992 PolarHBondContact O-N 3.26Å; Q1989-V1992 VanDerWaalsContact O-N 3.14Å; V1992-N1996 WeakPolarHBondContact CG1-ND2 3.42Å; V1992-N1996 VanDerWaalsContact O-CB 3.27Å; V1992-N1996 WeakPolarHBondContact O-CB 3.47Å; V1992-N1996 PolarHBondContact O-N 2.73Å; V1992-N1996 PolarHBondContact O-ND2 3.5Å; V1992-W2031 HydrophobicContact CG2-CH2 4.13Å; V1992-L2042 HydrophobicContact CG1-CB 4.17Å; V1992-L2042 WeakPolarHBondContact CG1-O 3.25Å; V1992-L2042 HydrophobicContact CG2-CB 3.74Å; V1992-L2042 HydrophobicContact CG2-CD1 3.93Å; V1992-L2042 HydrophobicContact CG2-CG 4.42Å; V1992-L2043 HydrophobicContact CG2-CD2 4.01Å |
| 1993 | D | 92.5 | Very high | 88.9 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 25% | 0.251 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65.2 | -48.1 | 174.1 | -81 | -56.8 | 0 | 0 | 0 | 112.1 | Q1989 W1990 F1991 W1995 N1996 K1997 | Q1989-D1993 PolarHBondContact NE2-OD2 2.74Å; Q1989-D1993 PolarHBondContact O-N 3.17Å; W1990-D1993 PolarHBondContact O-N 2.93Å; F1991-D1993 VanDerWaalsContact C-N 3.34Å; D1993-W1995 VanDerWaalsContact C-N 3.3Å; D1993-W1995 PolarHBondContact O-N 3.17Å; D1993-N1996 PolarHBondContact O-N 3.46Å; D1993-K1997 HydrophobicContact CB-CD 4.29Å; D1993-K1997 WeakPolarHBondContact O-CB 3.22Å; D1993-K1997 WeakPolarHBondContact O-CG 3.24Å; D1993-K1997 PolarHBondContact O-N 2.83Å; D1993-K1997 WeakPolarHBondContact OD1-CE 3.49Å; D1993-K1997 IonicContact OD1-NZ 2.83Å; D1993-K1997 PolarHBondContact OD1-NZ 3.01Å |
| 1994 | L | 92.1 | Very high | 88.7 | Confident | 16 Ų | 16 | 43.3 Ų | 43.3 | 8% | 0.084 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 176 | -179.7 | 67.6 | 0 | 0 | 0 | 111.6 | L1976 F1977 W1990 F1991 V1998 I1999 | L1976-L1994 HydrophobicContact CB-CD1 4.37Å; L1976-L1994 HydrophobicContact CD2-CD1 4.41Å; F1977-L1994 HydrophobicContact CD1-CD2 4.41Å; F1977-L1994 HydrophobicContact CE1-CD2 4.27Å; F1977-L1994 HydrophobicContact CZ-CD2 4.41Å; W1990-L1994 HydrophobicContact CH2-CD2 3.86Å; W1990-L1994 HydrophobicContact CZ2-CD2 3.87Å; W1990-L1994 HydrophobicContact CZ3-CD2 4.46Å; W1990-L1994 VanDerWaalsContact O-CB 3.26Å; W1990-L1994 WeakPolarHBondContact O-CB 3.42Å; W1990-L1994 PolarHBondContact O-N 3.14Å; F1991-L1994 PolarHBondContact O-N 2.78Å; L1994-V1998 HydrophobicContact CD1-CB 4.12Å; L1994-V1998 HydrophobicContact CD1-CG2 4.23Å; L1994-V1998 WeakPolarHBondContact O-CB 3.31Å; L1994-V1998 PolarHBondContact O-N 2.66Å; L1994-V1998 VanDerWaalsContact O-N 3.14Å; L1994-I1999 HydrophobicContact CD2-CD1 4.15Å; L1994-I1999 HydrophobicContact CG-CD1 3.89Å; L1994-I1999 HydrophobicContact CG-CG1 4.31Å; L1994-I1999 PolarHBondContact O-N 3.13Å |
| 1995 | W | 91.4 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -64.3 | -59.6 | 176.1 | -176.8 | -101.3 | 0 | 0 | 0 | 111.4 | L1958 F1991 D1993 K1997 I1999 L2000 L2003 P2023 I2027 L2043 R2044 | L1958-W1995 HydrophobicContact CD1-CZ3 4.31Å; L1958-W1995 HydrophobicContact CD2-CH2 4.45Å; L1958-W1995 HydrophobicContact CD2-CZ3 4.13Å; F1991-W1995 HydrophobicContact CE1-CB 4.39Å; F1991-W1995 VanDerWaalsContact O-CB 3.29Å; F1991-W1995 WeakPolarHBondContact O-CB 3.46Å; F1991-W1995 PolarHBondContact O-N 2.94Å; D1993-W1995 VanDerWaalsContact C-N 3.3Å; D1993-W1995 PolarHBondContact O-N 3.17Å; W1995-K1997 PolarHBondContact O-N 2.71Å; W1995-I1999 HydrophobicContact CD2-CG2 4.46Å; W1995-I1999 HydrophobicContact CE3-CB 3.89Å; W1995-I1999 HydrophobicContact CE3-CD1 4.14Å; W1995-I1999 HydrophobicContact CE3-CG2 3.53Å; W1995-I1999 HydrophobicContact CH2-CG2 4.12Å; W1995-I1999 HydrophobicContact CZ3-CB 4.21Å; W1995-I1999 HydrophobicContact CZ3-CG2 3.32Å; W1995-I1999 PolarHBondContact O-N 3.17Å; W1995-L2000 HydrophobicContact CZ2-CD1 4.18Å; W1995-L2000 VanDerWaalsContact O-CB 3.23Å; W1995-L2000 WeakPolarHBondContact O-CB 3.39Å; W1995-L2000 PolarHBondContact O-N 3.44Å; W1995-L2003 HydrophobicContact CH2-CD1 3.59Å; W1995-L2003 HydrophobicContact CZ2-CD1 4.25Å; W1995-L2003 HydrophobicContact CZ3-CD1 4.15Å; W1995-P2023 HydrophobicContact CH2-CB 4Å; W1995-I2027 HydrophobicContact CD2-CD1 4.37Å; W1995-I2027 HydrophobicContact CE3-CD1 3.63Å; W1995-I2027 HydrophobicContact CH2-CD1 3.52Å; W1995-I2027 HydrophobicContact CZ2-CD1 4.26Å; W1995-I2027 HydrophobicContact CZ3-CD1 3.14Å; W1995-L2043 HydrophobicContact CB-CD2 3.98Å; W1995-L2043 HydrophobicContact CG-CD2 3.9Å; W1995-R2044 PolarHBondContact NE1-O 3.12Å |
| 1996 | N | 91.7 | Very high | 87.7 | Confident | 29 Ų | 29 | 42.4 Ų | 42.4 | 16% | 0.155 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -70.3 | -29.9 | -171.6 | -71.4 | -28.4 | 0 | 0 | 0 | 113.7 | V1992 D1993 L2042 R2044 | V1992-N1996 WeakPolarHBondContact CG1-ND2 3.42Å; V1992-N1996 VanDerWaalsContact O-CB 3.27Å; V1992-N1996 WeakPolarHBondContact O-CB 3.47Å; V1992-N1996 PolarHBondContact O-N 2.73Å; V1992-N1996 PolarHBondContact O-ND2 3.5Å; D1993-N1996 PolarHBondContact O-N 3.46Å; N1996-L2042 PolarHBondContact ND2-O 2.98Å; N1996-R2044 WeakPolarHBondContact OD1-CB 3.19Å; N1996-R2044 PolarHBondContact OD1-N 3.2Å |
| 1997 | K | 90.7 | Very high | 86.8 | Confident | 148 Ų | 148 | 37.5 Ų | 37.5 | 64% | 0.643 | 19% | 0.19 | S | C | * | . | I | π-helix | trans | -102.7 | -22.6 | -173.9 | -61.1 | 169.6 | 170.5 | 165.4 | 0 | 114.5 | D1993 W1995 | D1993-K1997 HydrophobicContact CB-CD 4.29Å; D1993-K1997 WeakPolarHBondContact O-CB 3.22Å; D1993-K1997 WeakPolarHBondContact O-CG 3.24Å; D1993-K1997 PolarHBondContact O-N 2.83Å; D1993-K1997 WeakPolarHBondContact OD1-CE 3.49Å; D1993-K1997 IonicContact OD1-NZ 2.83Å; D1993-K1997 PolarHBondContact OD1-NZ 3.01Å; W1995-K1997 PolarHBondContact O-N 2.71Å |
| 1998 | V | 87.8 | Confident | 85.6 | Confident | 64 Ų | 64 | 40.9 Ų | 40.9 | 39% | 0.388 | 21% | 0.213 | S | C | . | . | I | π-helix | trans | -123.6 | -55.3 | -174.8 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | L1976 L1994 E2002 | L1976-V1998 HydrophobicContact CD1-CG1 4.47Å; L1976-V1998 HydrophobicContact CD2-CG1 4.37Å; L1994-V1998 HydrophobicContact CD1-CB 4.12Å; L1994-V1998 HydrophobicContact CD1-CG2 4.23Å; L1994-V1998 WeakPolarHBondContact O-CB 3.31Å; L1994-V1998 PolarHBondContact O-N 2.66Å; L1994-V1998 VanDerWaalsContact O-N 3.14Å; V1998-E2002 PolarHBondContact O-N 3.18Å |
| 1999 | I | 88.6 | Confident | 84.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -73.8 | -48.8 | -172.3 | -63.2 | 171.5 | 0 | 0 | 0 | 111.8 | L1958 L1972 F1977 L1994 W1995 E2002 L2003 | L1958-I1999 HydrophobicContact CD1-CD1 4.25Å; L1958-I1999 HydrophobicContact CD1-CG2 4.12Å; L1972-I1999 HydrophobicContact CD1-CB 4.39Å; L1972-I1999 HydrophobicContact CD1-CD1 4.42Å; L1972-I1999 HydrophobicContact CD1-CG1 3.95Å; L1972-I1999 HydrophobicContact CD1-CG2 3.85Å; L1972-I1999 HydrophobicContact CD2-CG1 4.35Å; F1977-I1999 HydrophobicContact CE2-CD1 4.44Å; F1977-I1999 HydrophobicContact CZ-CD1 3.79Å; L1994-I1999 HydrophobicContact CD2-CD1 4.15Å; L1994-I1999 HydrophobicContact CG-CD1 3.89Å; L1994-I1999 HydrophobicContact CG-CG1 4.31Å; L1994-I1999 PolarHBondContact O-N 3.13Å; W1995-I1999 HydrophobicContact CD2-CG2 4.46Å; W1995-I1999 HydrophobicContact CE3-CB 3.89Å; W1995-I1999 HydrophobicContact CE3-CD1 4.14Å; W1995-I1999 HydrophobicContact CE3-CG2 3.53Å; W1995-I1999 HydrophobicContact CH2-CG2 4.12Å; W1995-I1999 HydrophobicContact CZ3-CB 4.21Å; W1995-I1999 HydrophobicContact CZ3-CG2 3.32Å; W1995-I1999 PolarHBondContact O-N 3.17Å; I1999-E2002 PolarHBondContact O-N 2.94Å; I1999-L2003 HydrophobicContact CG2-CD1 3.84Å; I1999-L2003 HydrophobicContact CG2-CG 4.32Å; I1999-L2003 WeakPolarHBondContact O-CG 3.31Å; I1999-L2003 PolarHBondContact O-N 2.97Å |
| 2000 | L | 86.9 | Confident | 82.4 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.1 | -42.2 | -177.2 | -175.1 | 73.8 | 0 | 0 | 0 | 112.6 | W1995 E2002 L2003 A2004 R2044 L2046 | W1995-L2000 HydrophobicContact CZ2-CD1 4.18Å; W1995-L2000 VanDerWaalsContact O-CB 3.23Å; W1995-L2000 WeakPolarHBondContact O-CB 3.39Å; W1995-L2000 PolarHBondContact O-N 3.44Å; L2000-E2002 VanDerWaalsContact C-N 3.31Å; L2000-E2002 PolarHBondContact O-N 3.41Å; L2000-L2003 PolarHBondContact O-N 3.29Å; L2000-A2004 WeakPolarHBondContact O-CB 3.14Å; L2000-A2004 PolarHBondContact O-N 3.17Å; L2000-R2044 HydrophobicContact CD2-CB 3.41Å; L2000-R2044 VanDerWaalsContact CD2-CB 3.41Å; L2000-R2044 WeakPolarHBondContact CD2-O 3.19Å; L2000-L2046 HydrophobicContact CD1-CD2 3.61Å; L2000-L2046 HydrophobicContact CD1-CG 3.78Å; L2000-L2046 HydrophobicContact CG-CD2 4.42Å |
| 2001 | P | 85.1 | Confident | 80.6 | Confident | 50 Ų | 50 | 42.3 Ų | 42.3 | 33% | 0.325 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -35.5 | 171.6 | -27.2 | 37.5 | 0 | 0 | 0 | 113.9 | A2004 K2005 | P2001-A2004 PolarHBondContact O-N 3.21Å; P2001-K2005 WeakPolarHBondContact O-CG 3.39Å; P2001-K2005 PolarHBondContact O-N 2.95Å |
| 2002 | E | 81.5 | Confident | 78.7 | Confident | 44 Ų | 44 | 50 Ų | 50 | 21% | 0.206 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -75.6 | -33.4 | 178.9 | -157.1 | 61 | -153.3 | 0 | 0 | 112.4 | F1962 L1972 V1998 I1999 L2000 K2005 T2006 | F1962-E2002 HydrophobicContact CE1-CG 4.3Å; F1962-E2002 HydrophobicContact CZ-CB 4.36Å; F1962-E2002 HydrophobicContact CZ-CG 4.31Å; L1972-E2002 HydrophobicContact CD2-CB 4.46Å; V1998-E2002 PolarHBondContact O-N 3.18Å; I1999-E2002 PolarHBondContact O-N 2.94Å; L2000-E2002 VanDerWaalsContact C-N 3.31Å; L2000-E2002 PolarHBondContact O-N 3.41Å; E2002-K2005 WeakPolarHBondContact OE2-CD 3.42Å; E2002-K2005 WeakPolarHBondContact OE2-CE 3.29Å; E2002-K2005 IonicContact OE2-NZ 3.39Å; E2002-K2005 PolarHBondContact OE2-NZ 3.22Å; E2002-T2006 WeakPolarHBondContact O-CG2 3.41Å; E2002-T2006 PolarHBondContact O-N 3.02Å; E2002-T2006 PolarHBondContact O-OG1 3.4Å |
| 2003 | L | 83.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 166.6 | -72 | 169.8 | 0 | 0 | 0 | 111.1 | L1958 Y1961 F1962 W1995 I1999 L2000 K2005 T2006 V2007 P2023 L2046 | L1958-L2003 HydrophobicContact CD2-CD1 4.41Å; Y1961-L2003 HydrophobicContact CD1-CD2 3.8Å; Y1961-L2003 HydrophobicContact CE1-CD2 3.82Å; F1962-L2003 HydrophobicContact CD2-CD2 4.4Å; F1962-L2003 HydrophobicContact CE1-CD2 4.28Å; F1962-L2003 HydrophobicContact CE2-CD2 3.59Å; F1962-L2003 HydrophobicContact CE2-CG 4.15Å; F1962-L2003 HydrophobicContact CZ-CD2 3.53Å; F1962-L2003 HydrophobicContact CZ-CG 3.88Å; W1995-L2003 HydrophobicContact CH2-CD1 3.59Å; W1995-L2003 HydrophobicContact CZ2-CD1 4.25Å; W1995-L2003 HydrophobicContact CZ3-CD1 4.15Å; I1999-L2003 HydrophobicContact CG2-CD1 3.84Å; I1999-L2003 HydrophobicContact CG2-CG 4.32Å; I1999-L2003 WeakPolarHBondContact O-CG 3.31Å; I1999-L2003 PolarHBondContact O-N 2.97Å; L2000-L2003 PolarHBondContact O-N 3.29Å; L2003-K2005 VanDerWaalsContact C-N 3.32Å; L2003-K2005 PolarHBondContact O-N 3.26Å; L2003-T2006 WeakPolarHBondContact CA-OG1 3.34Å; L2003-T2006 PolarHBondContact O-N 3.28Å; L2003-T2006 VanDerWaalsContact O-N 3.08Å; L2003-T2006 PolarHBondContact O-OG1 3.03Å; L2003-T2006 VanDerWaalsContact O-OG1 3.08Å; L2003-V2007 WeakPolarHBondContact O-CG2 3.48Å; L2003-V2007 PolarHBondContact O-N 2.82Å; L2003-P2023 HydrophobicContact CD1-CB 4.09Å; L2003-P2023 HydrophobicContact CD1-CG 4.35Å; L2003-P2023 HydrophobicContact CD2-CG 4.36Å; L2003-L2046 HydrophobicContact CB-CD1 4.41Å; L2003-L2046 HydrophobicContact CB-CD2 4.16Å |
| 2004 | A | 81.3 | Confident | 74.6 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 38% | 0.38 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.7 | -32.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L2000 P2001 T2006 P2008 L2046 | L2000-A2004 WeakPolarHBondContact O-CB 3.14Å; L2000-A2004 PolarHBondContact O-N 3.17Å; P2001-A2004 PolarHBondContact O-N 3.21Å; A2004-T2006 VanDerWaalsContact C-N 3.33Å; A2004-P2008 WeakPolarHBondContact O-CD 3.07Å; A2004-P2008 WeakPolarHBondContact O-CG 3.44Å; A2004-L2046 HydrophobicContact CB-CD2 4.04Å |
| 2005 | K | 77.8 | Confident | 72.5 | Confident | 117 Ų | 117 | 65.8 Ų | 65.8 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -70.1 | -25.4 | 172.6 | -69.3 | 169.6 | -154.1 | 167.7 | 0 | 114 | P2001 E2002 L2003 | P2001-K2005 WeakPolarHBondContact O-CG 3.39Å; P2001-K2005 PolarHBondContact O-N 2.95Å; E2002-K2005 WeakPolarHBondContact OE2-CD 3.42Å; E2002-K2005 WeakPolarHBondContact OE2-CE 3.29Å; E2002-K2005 IonicContact OE2-NZ 3.39Å; E2002-K2005 PolarHBondContact OE2-NZ 3.22Å; L2003-K2005 VanDerWaalsContact C-N 3.32Å; L2003-K2005 PolarHBondContact O-N 3.26Å |
| 2006 | T | 71.3 | Confident | 70.4 | Confident | 19 Ų | 19 | 72.9 Ų | 72.9 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -103.9 | -36.8 | -169.4 | 47.6 | 0 | 0 | 0 | 0 | 113.7 | F1962 A1966 E2002 L2003 A2004 K2009 A2010 | F1962-T2006 HydrophobicContact CD1-CG2 4.31Å; F1962-T2006 HydrophobicContact CE1-CG2 3.97Å; F1962-T2006 WeakPolarHBondContact CE1-OG1 3.4Å; A1966-T2006 HydrophobicContact CB-CG2 4.1Å; E2002-T2006 WeakPolarHBondContact O-CG2 3.41Å; E2002-T2006 PolarHBondContact O-N 3.02Å; E2002-T2006 PolarHBondContact O-OG1 3.4Å; L2003-T2006 WeakPolarHBondContact CA-OG1 3.34Å; L2003-T2006 PolarHBondContact O-N 3.28Å; L2003-T2006 VanDerWaalsContact O-N 3.08Å; L2003-T2006 PolarHBondContact O-OG1 3.03Å; L2003-T2006 VanDerWaalsContact O-OG1 3.08Å; A2004-T2006 VanDerWaalsContact C-N 3.33Å; T2006-K2009 PolarHBondContact O-N 2.88Å; T2006-A2010 PolarHBondContact O-N 2.69Å |
| 2007 | V | 69.5 | Low | 68.4 | Low | 13 Ų | 13 | 73 Ų | 73 | 8% | 0.079 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -62.5 | -43.2 | -177.5 | 169.9 | 0 | 0 | 0 | 0 | 114.3 | Y1961 L2003 K2009 A2010 C2011 L2046 | Y1961-V2007 HydrophobicContact CE1-CG2 3.95Å; L2003-V2007 WeakPolarHBondContact O-CG2 3.48Å; L2003-V2007 PolarHBondContact O-N 2.82Å; V2007-K2009 PolarHBondContact O-N 3.27Å; V2007-A2010 WeakPolarHBondContact O-CB 3.49Å; V2007-A2010 PolarHBondContact O-N 3.15Å; V2007-A2010 VanDerWaalsContact O-N 3.09Å; V2007-C2011 PolarHBondContact O-N 3.39Å; V2007-C2011 PolarHBondContact O-SG 2.93Å; V2007-C2011 VanDerWaalsContact O-SG 3.33Å; V2007-L2046 HydrophobicContact CG2-CD1 4.03Å |
| 2008 | P | 64.6 | Low | 66.4 | Low | 72 Ų | 72 | 74.8 Ų | 74.8 | 47% | 0.468 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 177.4 | -24.9 | 35.1 | 0 | 0 | 0 | 112 | A2004 A2010 C2011 E2012 | A2004-P2008 WeakPolarHBondContact O-CD 3.07Å; A2004-P2008 WeakPolarHBondContact O-CG 3.44Å; P2008-A2010 PolarHBondContact O-N 3.32Å; P2008-C2011 PolarHBondContact O-N 3.09Å; P2008-E2012 PolarHBondContact O-N 3.47Å |
| 2009 | K | 60.2 | Low | 65.2 | Low | 134 Ų | 134 | 78.5 Ų | 78.5 | 58% | 0.583 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -66.1 | -8.1 | 177.8 | -62.4 | 179.3 | -179 | 177.4 | 0 | 113.6 | T2006 V2007 R2013 | T2006-K2009 PolarHBondContact O-N 2.88Å; V2007-K2009 PolarHBondContact O-N 3.27Å; K2009-R2013 PolarHBondContact O-NH1 3.11Å |
| 2010 | A | 56.1 | Low | 64.2 | Low | 7 Ų | 7 | 83.7 Ų | 83.7 | 6% | 0.058 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -98.8 | -43.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F1965 T2006 V2007 P2008 E2012 R2013 Q2014 | F1965-A2010 HydrophobicContact CB-CB 3.89Å; F1965-A2010 HydrophobicContact CD1-CB 4.03Å; F1965-A2010 HydrophobicContact CG-CB 4.46Å; F1965-A2010 WeakPolarHBondContact O-CB 3.47Å; T2006-A2010 PolarHBondContact O-N 2.69Å; V2007-A2010 WeakPolarHBondContact O-CB 3.49Å; V2007-A2010 PolarHBondContact O-N 3.15Å; V2007-A2010 VanDerWaalsContact O-N 3.09Å; P2008-A2010 PolarHBondContact O-N 3.32Å; A2010-E2012 VanDerWaalsContact C-N 3.3Å; A2010-E2012 PolarHBondContact O-N 2.96Å; A2010-R2013 PolarHBondContact O-N 2.75Å; A2010-Q2014 PolarHBondContact O-N 2.79Å |
| 2011 | C | 54 | Low | 63.5 | Low | 59 Ų | 59 | 86.1 Ų | 86.1 | 40% | 0.399 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.8 | -37.7 | -178.4 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | V2007 P2008 R2013 | V2007-C2011 PolarHBondContact O-N 3.39Å; V2007-C2011 PolarHBondContact O-SG 2.93Å; V2007-C2011 VanDerWaalsContact O-SG 3.33Å; P2008-C2011 PolarHBondContact O-N 3.09Å; C2011-R2013 PolarHBondContact O-N 3.08Å |
| 2012 | E | 55.1 | Low | 63 | Low | 160 Ų | 160 | 86 Ų | 86 | 75% | 0.748 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -27.5 | 175 | -65.8 | 171.8 | 156.4 | 0 | 0 | 113.6 | P2008 A2010 | P2008-E2012 PolarHBondContact O-N 3.47Å; A2010-E2012 VanDerWaalsContact C-N 3.3Å; A2010-E2012 PolarHBondContact O-N 2.96Å |
| 2013 | R | 51.1 | Low | 63.1 | Low | 187 Ų | 187 | 83.9 Ų | 83.9 | 71% | 0.706 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -16.6 | -166.4 | -67.9 | -170.5 | 173.9 | 108.2 | -2 | 114.8 | K2009 A2010 C2011 | K2009-R2013 PolarHBondContact O-NH1 3.11Å; A2010-R2013 PolarHBondContact O-N 2.75Å; C2011-R2013 PolarHBondContact O-N 3.08Å |
| 2014 | Q | 47 | Very low | 63.1 | Low | 108 Ų | 108 | 84.1 Ų | 84.1 | 51% | 0.505 | 43% | 0.426 | S | S | . | . | trans | -154.8 | 121.1 | -178.3 | -120.4 | 165 | 20 | 0 | 0 | 115.5 | A2010 R2016 C2017 | A2010-Q2014 PolarHBondContact O-N 2.79Å; Q2014-R2016 HydrophobicContact CG-CB 4.45Å; Q2014-R2016 HydrophobicContact CG-CG 4.46Å; Q2014-R2016 PolarHBondContact O-N 2.88Å; Q2014-C2017 PolarHBondContact O-SG 2.92Å | ||
| 2015 | A | 46.5 | Very low | 63.1 | Low | 109 Ų | 109 | 84 Ų | 84 | 90% | 0.901 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 30 | 167.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 2016 | R | 47.4 | Very low | 63.5 | Low | 148 Ų | 148 | 81.7 Ų | 81.7 | 56% | 0.558 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | 5.3 | 177 | -71.1 | -175.7 | 172.9 | -178.1 | -4.2 | 113.1 | Q2014 Q2018 | Q2014-R2016 HydrophobicContact CG-CB 4.45Å; Q2014-R2016 HydrophobicContact CG-CG 4.46Å; Q2014-R2016 PolarHBondContact O-N 2.88Å; R2016-Q2018 PolarHBondContact O-N 3.1Å |
| 2017 | C | 49.7 | Very low | 64.3 | Low | 31 Ų | 31 | 80.8 Ų | 80.8 | 21% | 0.209 | 41% | 0.407 | C | S | . | . | G | 310 helix | trans | -67 | -13.6 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 114.3 | F1965 Q2014 D2019 | F1965-C2017 HydrophobicContact CE1-CB 3.98Å; Q2014-C2017 PolarHBondContact O-SG 2.92Å; C2017-D2019 VanDerWaalsContact C-N 3.34Å; C2017-D2019 PolarHBondContact O-N 3.11Å |
| 2018 | Q | 49.8 | Very low | 65.2 | Low | 187 Ų | 187 | 82.1 Ų | 82.1 | 87% | 0.874 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -72.9 | -17.5 | -173 | -66.3 | -176 | -7.9 | 0 | 0 | 114.9 | R2016 | R2016-Q2018 PolarHBondContact O-N 3.1Š|
| 2019 | D | 63.1 | Low | 66.2 | Low | 142 Ų | 142 | 85.4 Ų | 85.4 | 76% | 0.759 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -83.9 | -6.9 | -174 | -69.5 | -32.5 | 0 | 0 | 0 | 114.8 | C2017 | C2017-D2019 VanDerWaalsContact C-N 3.34Å; C2017-D2019 PolarHBondContact O-N 3.11Å |
| 2020 | W | 65.8 | Low | 67.5 | Low | 108 Ų | 108 | 80.9 Ų | 80.9 | 41% | 0.409 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -116.2 | 131.8 | -176.8 | -69.3 | 83.6 | 0 | 0 | 0 | 112 | Y1957 K1960 A1964 F1965 | Y1957-W2020 HydrophobicContact CE2-CZ3 4.47Å; K1960-W2020 HydrophobicContact CB-CH2 4.44Å; A1964-W2020 HydrophobicContact CB-CZ2 4.48Å; F1965-W2020 HydrophobicContact CE2-CB 3.99Å; F1965-W2020 AromaticContact CE2-CD1 3.97Å; F1965-W2020 HydrophobicContact CE2-CD2 4.4Å; F1965-W2020 AromaticContact CE2-CG 3.85Å; F1965-W2020 HydrophobicContact CE2-CG 3.85Å; F1965-W2020 HydrophobicContact CZ-CB 3.91Å; F1965-W2020 AromaticContact CZ-CD1 3.81Å; F1965-W2020 AromaticContact CZ-CG 3.95Å; F1965-W2020 HydrophobicContact CZ-CG 3.95Å |
| 2021 | P | 73.2 | Confident | 69 | Low | 68 Ų | 68 | 82 Ų | 82 | 44% | 0.442 | 42% | 0.417 | S | S | . | . | trans | -69.4 | 149 | 172 | 28.3 | -31.3 | 0 | 0 | 0 | 111.3 | Y1957 | Y1957-P2021 PolarHBondContact OH-O 2.94Š| ||
| 2022 | E | 75.3 | Confident | 70.6 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 22% | 0.22 | 41% | 0.405 | C | S | . | . | trans | -57.1 | 135 | 177.9 | -173.1 | -169.4 | 148.4 | 0 | 0 | 109.9 | S2024 S2025 F2026 L2046 Y2048 | E2022-S2024 PolarHBondContact O-N 3.22Å; E2022-S2024 WeakPolarHBondContact OE1-CB 3.36Å; E2022-S2024 PolarHBondContact OE1-OG 3.4Å; E2022-S2025 PolarHBondContact N-OG 2.88Å; E2022-S2025 WeakPolarHBondContact O-CB 3.47Å; E2022-S2025 PolarHBondContact O-N 2.79Å; E2022-S2025 PolarHBondContact O-OG 2.88Å; E2022-F2026 PolarHBondContact O-N 3.36Å; E2022-L2046 PolarHBondContact OE1-N 3.48Å; E2022-Y2048 HydrophobicContact CG-CD2 4.49Å; E2022-Y2048 HydrophobicContact CG-CE2 4.31Å | ||
| 2023 | P | 82.5 | Confident | 72.2 | Confident | 0 Ų | 0 | 72.9 Ų | 72.9 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -51.1 | -35 | 178.9 | -31 | 37.6 | 0 | 0 | 0 | 114.7 | Y1957 L1958 Y1961 W1995 L2003 I2027 | Y1957-P2023 HydrophobicContact CE1-CB 4.34Å; Y1957-P2023 HydrophobicContact CE1-CG 4.48Å; L1958-P2023 HydrophobicContact CD2-CB 3.99Å; Y1961-P2023 HydrophobicContact CD1-CG 3.89Å; Y1961-P2023 HydrophobicContact CD2-CG 3.71Å; Y1961-P2023 HydrophobicContact CE1-CG 3.71Å; Y1961-P2023 HydrophobicContact CE2-CG 3.51Å; Y1961-P2023 HydrophobicContact CG-CG 3.9Å; W1995-P2023 HydrophobicContact CH2-CB 4Å; L2003-P2023 HydrophobicContact CD1-CB 4.09Å; L2003-P2023 HydrophobicContact CD1-CG 4.35Å; L2003-P2023 HydrophobicContact CD2-CG 4.36Å; P2023-I2027 WeakPolarHBondContact O-CG1 3.43Å; P2023-I2027 PolarHBondContact O-N 2.76Å |
| 2024 | S | 83.7 | Confident | 73.6 | Confident | 5 Ų | 5 | 69.2 Ų | 69.2 | 4% | 0.035 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 174.4 | -46.3 | 0 | 0 | 0 | 0 | 112.3 | E2022 I2027 V2028 | E2022-S2024 PolarHBondContact O-N 3.22Å; E2022-S2024 WeakPolarHBondContact OE1-CB 3.36Å; E2022-S2024 PolarHBondContact OE1-OG 3.4Å; S2024-I2027 PolarHBondContact O-N 2.67Å; S2024-V2028 WeakPolarHBondContact O-CG2 3.4Å; S2024-V2028 PolarHBondContact O-N 3.1Å |
| 2025 | S | 82.2 | Confident | 74.7 | Confident | 44 Ų | 44 | 68.2 Ų | 68.2 | 31% | 0.308 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.1 | -45.1 | 179.8 | 64.9 | 0 | 0 | 0 | 0 | 112.2 | E2022 I2027 V2028 D2029 | E2022-S2025 PolarHBondContact N-OG 2.88Å; E2022-S2025 WeakPolarHBondContact O-CB 3.47Å; E2022-S2025 PolarHBondContact O-N 2.79Å; E2022-S2025 PolarHBondContact O-OG 2.88Å; S2025-I2027 PolarHBondContact O-N 3.37Å; S2025-V2028 PolarHBondContact O-N 2.93Å; S2025-D2029 WeakPolarHBondContact O-CB 3.34Å; S2025-D2029 PolarHBondContact O-N 2.95Å |
| 2026 | F | 85.8 | Confident | 76 | Confident | 67 Ų | 67 | 65.8 Ų | 65.8 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.7 | -30.6 | 177.6 | -179.5 | -103.5 | 0 | 0 | 0 | 113.3 | I1954 Y1957 E2022 S2030 | I1954-F2026 HydrophobicContact CD1-CD1 4.05Å; I1954-F2026 HydrophobicContact CD1-CE1 3.7Å; Y1957-F2026 AromaticContact CD1-CD1 3.61Å; Y1957-F2026 HydrophobicContact CD1-CD1 3.61Å; Y1957-F2026 HydrophobicContact CD1-CE1 4.06Å; Y1957-F2026 HydrophobicContact CD1-CG 4.23Å; Y1957-F2026 AromaticContact CD2-CD1 3.69Å; Y1957-F2026 HydrophobicContact CD2-CD1 3.69Å; Y1957-F2026 HydrophobicContact CD2-CD2 4.18Å; Y1957-F2026 AromaticContact CD2-CE1 3.62Å; Y1957-F2026 HydrophobicContact CD2-CE1 3.62Å; Y1957-F2026 HydrophobicContact CD2-CE2 4.12Å; Y1957-F2026 AromaticContact CD2-CG 3.98Å; Y1957-F2026 HydrophobicContact CD2-CG 3.98Å; Y1957-F2026 AromaticContact CD2-CZ 3.84Å; Y1957-F2026 HydrophobicContact CD2-CZ 3.84Å; Y1957-F2026 HydrophobicContact CE1-CB 4.1Å; Y1957-F2026 AromaticContact CE1-CD1 3.97Å; Y1957-F2026 HydrophobicContact CE1-CD1 3.97Å; Y1957-F2026 HydrophobicContact CE1-CG 4.14Å; Y1957-F2026 HydrophobicContact CE2-CB 4.36Å; Y1957-F2026 HydrophobicContact CE2-CD1 4.03Å; Y1957-F2026 HydrophobicContact CE2-CD2 4.03Å; Y1957-F2026 HydrophobicContact CE2-CE1 4.34Å; Y1957-F2026 HydrophobicContact CE2-CE2 4.35Å; Y1957-F2026 AromaticContact CE2-CG 3.86Å; Y1957-F2026 HydrophobicContact CE2-CG 3.86Å; Y1957-F2026 HydrophobicContact CE2-CZ 4.5Å; Y1957-F2026 AromaticContact CG-CD1 3.48Å; Y1957-F2026 HydrophobicContact CG-CD1 3.48Å; Y1957-F2026 VanDerWaalsContact CG-CD1 3.48Å; Y1957-F2026 AromaticContact CG-CE1 3.46Å; Y1957-F2026 HydrophobicContact CG-CE1 3.46Å; Y1957-F2026 VanDerWaalsContact CG-CE1 3.46Å; Y1957-F2026 HydrophobicContact CG-CG 4.17Å; Y1957-F2026 HydrophobicContact CG-CZ 4.14Å; Y1957-F2026 AromaticContact CZ-CG 3.96Å; E2022-F2026 PolarHBondContact O-N 3.36Å; F2026-S2030 WeakPolarHBondContact O-CB 3.44Å; F2026-S2030 PolarHBondContact O-N 3.38Å; F2026-S2030 PolarHBondContact O-OG 3.13Å |
| 2027 | I | 88.6 | Confident | 77.4 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.7 | -37.1 | 177.3 | -72.1 | 166 | 0 | 0 | 0 | 111.6 | W1950 I1954 F1991 W1995 P2023 S2024 S2025 S2030 W2031 L2043 | W1950-I2027 HydrophobicContact CH2-CG2 4.2Å; W1950-I2027 HydrophobicContact CZ2-CG2 4.17Å; I1954-I2027 HydrophobicContact CD1-CG1 3.95Å; I1954-I2027 HydrophobicContact CG2-CD1 4.16Å; I1954-I2027 HydrophobicContact CG2-CG1 4.31Å; F1991-I2027 HydrophobicContact CE1-CG2 3.97Å; F1991-I2027 HydrophobicContact CZ-CD1 4.44Å; F1991-I2027 HydrophobicContact CZ-CG2 4.18Å; W1995-I2027 HydrophobicContact CD2-CD1 4.37Å; W1995-I2027 HydrophobicContact CE3-CD1 3.63Å; W1995-I2027 HydrophobicContact CH2-CD1 3.52Å; W1995-I2027 HydrophobicContact CZ2-CD1 4.26Å; W1995-I2027 HydrophobicContact CZ3-CD1 3.14Å; P2023-I2027 WeakPolarHBondContact O-CG1 3.43Å; P2023-I2027 PolarHBondContact O-N 2.76Å; S2024-I2027 PolarHBondContact O-N 2.67Å; S2025-I2027 PolarHBondContact O-N 3.37Å; I2027-S2030 PolarHBondContact O-N 3.37Å; I2027-W2031 HydrophobicContact CG2-CE3 4.24Å; I2027-W2031 HydrophobicContact CG2-CZ3 4.37Å; I2027-W2031 PolarHBondContact O-N 3.26Å; I2027-L2043 HydrophobicContact CG2-CD1 3.53Å |
| 2028 | V | 87.2 | Confident | 78.7 | Confident | 42 Ų | 42 | 64.1 Ų | 64.1 | 26% | 0.255 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 171.6 | 170.5 | 0 | 0 | 0 | 0 | 110.5 | S2024 S2025 S2030 W2031 A2039 V2040 | S2024-V2028 WeakPolarHBondContact O-CG2 3.4Å; S2024-V2028 PolarHBondContact O-N 3.1Å; S2025-V2028 PolarHBondContact O-N 2.93Å; V2028-S2030 PolarHBondContact O-N 2.77Å; V2028-W2031 WeakPolarHBondContact O-CB 3.42Å; V2028-W2031 PolarHBondContact O-N 3.03Å; V2028-A2039 HydrophobicContact CB-CB 4.26Å; V2028-A2039 HydrophobicContact CG1-CB 4.39Å; V2028-A2039 HydrophobicContact CG2-CB 3.86Å; V2028-V2040 HydrophobicContact CG1-CG2 3.68Å; V2028-V2040 HydrophobicContact CG2-CG2 4.07Å |
| 2029 | D | 85.5 | Confident | 80.2 | Confident | 140 Ų | 140 | 55.2 Ų | 55.2 | 75% | 0.749 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -65.3 | -22.8 | -178.5 | -71.5 | -16.7 | 0 | 0 | 0 | 113.8 | S2025 | S2025-D2029 WeakPolarHBondContact O-CB 3.34Å; S2025-D2029 PolarHBondContact O-N 2.95Å |
| 2030 | S | 87.8 | Confident | 81 | Confident | 39 Ų | 39 | 53 Ų | 53 | 27% | 0.273 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 12 | -176.8 | 67.4 | 0 | 0 | 0 | 0 | 114.5 | W1950 F2026 I2027 V2028 P2032 | W1950-S2030 PolarHBondContact NE1-O 2.8Å; W1950-S2030 PolarHBondContact NE1-OG 3.01Å; F2026-S2030 WeakPolarHBondContact O-CB 3.44Å; F2026-S2030 PolarHBondContact O-N 3.38Å; F2026-S2030 PolarHBondContact O-OG 3.13Å; I2027-S2030 PolarHBondContact O-N 3.37Å; V2028-S2030 PolarHBondContact O-N 2.77Å; S2030-P2032 WeakPolarHBondContact O-CD 3.18Å |
| 2031 | W | 88.5 | Confident | 81.6 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 12% | 0.117 | 32% | 0.318 | C | S | . | . | trans | -57.5 | 118.2 | -171.6 | -171.6 | -114.1 | 0 | 0 | 0 | 113.9 | W1950 R1988 F1991 V1992 I2027 V2028 W2033 A2039 L2042 L2043 | W1950-W2031 HydrophobicContact CH2-CE3 4.24Å; W1950-W2031 HydrophobicContact CH2-CZ3 4.42Å; R1988-W2031 HydrophobicContact CG-CH2 4.23Å; R1988-W2031 HydrophobicContact CG-CZ2 3.73Å; F1991-W2031 HydrophobicContact CD1-CH2 4.12Å; F1991-W2031 AromaticContact CD1-CZ3 3.73Å; F1991-W2031 HydrophobicContact CD1-CZ3 3.73Å; F1991-W2031 AromaticContact CE1-CZ3 3.83Å; F1991-W2031 HydrophobicContact CE1-CZ3 3.83Å; V1992-W2031 HydrophobicContact CG2-CH2 4.13Å; I2027-W2031 HydrophobicContact CG2-CE3 4.24Å; I2027-W2031 HydrophobicContact CG2-CZ3 4.37Å; I2027-W2031 PolarHBondContact O-N 3.26Å; V2028-W2031 WeakPolarHBondContact O-CB 3.42Å; V2028-W2031 PolarHBondContact O-N 3.03Å; W2031-W2033 AromaticContact CD2-CE3 3.8Å; W2031-W2033 HydrophobicContact CD2-CE3 3.8Å; W2031-W2033 HydrophobicContact CD2-CZ3 4.35Å; W2031-W2033 AromaticContact CE2-CE3 3.66Å; W2031-W2033 AromaticContact CE3-CE3 3.86Å; W2031-W2033 HydrophobicContact CE3-CE3 3.86Å; W2031-W2033 AromaticContact CE3-CZ3 3.92Å; W2031-W2033 HydrophobicContact CE3-CZ3 3.92Å; W2031-W2033 AromaticContact CH2-CE3 3.67Å; W2031-W2033 HydrophobicContact CH2-CE3 3.67Å; W2031-W2033 AromaticContact CH2-CZ3 3.75Å; W2031-W2033 HydrophobicContact CH2-CZ3 3.75Å; W2031-W2033 HydrophobicContact CZ2-CD2 4.39Å; W2031-W2033 AromaticContact CZ2-CE3 3.61Å; W2031-W2033 HydrophobicContact CZ2-CE3 3.61Å; W2031-W2033 HydrophobicContact CZ2-CZ3 4.19Å; W2031-W2033 AromaticContact CZ3-CE3 3.78Å; W2031-W2033 HydrophobicContact CZ3-CE3 3.78Å; W2031-W2033 AromaticContact CZ3-CZ3 3.59Å; W2031-W2033 HydrophobicContact CZ3-CZ3 3.59Å; W2031-W2033 PolarHBondContact NE1-O 2.85Å; W2031-A2039 HydrophobicContact CB-CB 4.13Å; W2031-A2039 HydrophobicContact CD2-CB 3.61Å; W2031-A2039 HydrophobicContact CE3-CB 3.91Å; W2031-A2039 HydrophobicContact CG-CB 3.75Å; W2031-A2039 HydrophobicContact CZ3-CB 4.5Å; W2031-L2042 HydrophobicContact CZ2-CD1 4.13Å; W2031-L2043 HydrophobicContact CE3-CD1 4.28Å; W2031-L2043 HydrophobicContact CH2-CD1 4.43Å; W2031-L2043 HydrophobicContact CH2-CD2 4.31Å; W2031-L2043 HydrophobicContact CH2-CG 4.5Å; W2031-L2043 HydrophobicContact CZ3-CD1 3.83Å; W2031-L2043 HydrophobicContact CZ3-CD2 4.28Å; W2031-L2043 HydrophobicContact CZ3-CG 4.35Å | ||
| 2032 | P | 87.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 53.4 Ų | 53.4 | 14% | 0.136 | 31% | 0.307 | C | S | . | . | trans | -84.7 | -14.8 | -172.4 | 32.9 | -37 | 0 | 0 | 0 | 114.4 | V1947 W1950 S2030 T2034 | V1947-P2032 HydrophobicContact CG2-CB 4.13Å; V1947-P2032 HydrophobicContact CG2-CG 4.04Å; W1950-P2032 HydrophobicContact CB-CG 4.49Å; W1950-P2032 HydrophobicContact CD2-CG 3.72Å; W1950-P2032 HydrophobicContact CE3-CG 3.68Å; W1950-P2032 HydrophobicContact CG-CB 4.46Å; W1950-P2032 HydrophobicContact CG-CG 4.12Å; W1950-P2032 HydrophobicContact CH2-CG 4.39Å; W1950-P2032 HydrophobicContact CZ2-CG 4.44Å; W1950-P2032 HydrophobicContact CZ3-CG 4.04Å; S2030-P2032 WeakPolarHBondContact O-CD 3.18Å; P2032-T2034 PolarHBondContact O-N 2.98Å | ||
| 2033 | W | 88.3 | Confident | 82.7 | Confident | 6 Ų | 6 | 51.8 Ų | 51.8 | 2% | 0.023 | 30% | 0.3 | C | S | . | . | trans | -88.9 | 86.1 | 179.8 | -62.1 | -90.3 | 0 | 0 | 0 | 110.7 | V1947 W1950 K1984 S1987 R1988 F1991 W2031 D2035 | V1947-W2033 HydrophobicContact CG1-CH2 4.06Å; V1947-W2033 HydrophobicContact CG1-CZ2 3.57Å; V1947-W2033 HydrophobicContact CG2-CD2 4.44Å; V1947-W2033 HydrophobicContact CG2-CZ2 4.07Å; W1950-W2033 HydrophobicContact CE3-CH2 4.49Å; W1950-W2033 HydrophobicContact CE3-CZ3 4.44Å; W1950-W2033 AromaticContact CH2-CZ3 3.92Å; W1950-W2033 HydrophobicContact CH2-CZ3 3.92Å; W1950-W2033 AromaticContact CZ3-CH2 3.82Å; W1950-W2033 HydrophobicContact CZ3-CH2 3.82Å; W1950-W2033 AromaticContact CZ3-CZ3 3.63Å; W1950-W2033 HydrophobicContact CZ3-CZ3 3.63Å; K1984-W2033 PolarHBondContact O-NE1 3.13Å; K1984-W2033 VanDerWaalsContact O-NE1 3.17Å; S1987-W2033 WeakPolarHBondContact O-CZ2 3.44Å; S1987-W2033 PolarHBondContact OG-NE1 3.01Å; R1988-W2033 HydrophobicContact CB-CD2 3.97Å; R1988-W2033 HydrophobicContact CB-CG 3.95Å; R1988-W2033 HydrophobicContact CB-CZ2 4.43Å; R1988-W2033 HydrophobicContact CG-CB 4.21Å; R1988-W2033 HydrophobicContact CG-CD2 3.81Å; R1988-W2033 HydrophobicContact CG-CE3 4.2Å; R1988-W2033 HydrophobicContact CG-CG 3.81Å; F1991-W2033 HydrophobicContact CB-CH2 3.58Å; F1991-W2033 HydrophobicContact CB-CZ2 4.29Å; F1991-W2033 HydrophobicContact CB-CZ3 4.23Å; F1991-W2033 HydrophobicContact CD1-CH2 4.25Å; F1991-W2033 HydrophobicContact CD1-CZ3 4.12Å; F1991-W2033 HydrophobicContact CD2-CH2 4.27Å; F1991-W2033 AromaticContact CG-CH2 3.76Å; F1991-W2033 HydrophobicContact CG-CH2 3.76Å; F1991-W2033 HydrophobicContact CG-CZ3 4.11Å; W2031-W2033 AromaticContact CD2-CE3 3.8Å; W2031-W2033 HydrophobicContact CD2-CE3 3.8Å; W2031-W2033 HydrophobicContact CD2-CZ3 4.35Å; W2031-W2033 AromaticContact CE2-CE3 3.66Å; W2031-W2033 AromaticContact CE3-CE3 3.86Å; W2031-W2033 HydrophobicContact CE3-CE3 3.86Å; W2031-W2033 AromaticContact CE3-CZ3 3.92Å; W2031-W2033 HydrophobicContact CE3-CZ3 3.92Å; W2031-W2033 AromaticContact CH2-CE3 3.67Å; W2031-W2033 HydrophobicContact CH2-CE3 3.67Å; W2031-W2033 AromaticContact CH2-CZ3 3.75Å; W2031-W2033 HydrophobicContact CH2-CZ3 3.75Å; W2031-W2033 HydrophobicContact CZ2-CD2 4.39Å; W2031-W2033 AromaticContact CZ2-CE3 3.61Å; W2031-W2033 HydrophobicContact CZ2-CE3 3.61Å; W2031-W2033 HydrophobicContact CZ2-CZ3 4.19Å; W2031-W2033 AromaticContact CZ3-CE3 3.78Å; W2031-W2033 HydrophobicContact CZ3-CE3 3.78Å; W2031-W2033 AromaticContact CZ3-CZ3 3.59Å; W2031-W2033 HydrophobicContact CZ3-CZ3 3.59Å; W2031-W2033 PolarHBondContact NE1-O 2.85Å; W2033-D2035 PolarHBondContact O-N 3.48Å | ||
| 2034 | T | 80.1 | Confident | 82.7 | Confident | 111 Ų | 111 | 58.9 Ų | 58.9 | 68% | 0.681 | 33% | 0.327 | S | S | * | . | trans | -69.5 | -10.4 | -179.8 | 50 | 0 | 0 | 0 | 0 | 115.2 | P2032 | P2032-T2034 PolarHBondContact O-N 2.98Š| ||
| 2035 | D | 70.7 | Confident | 82.4 | Confident | 87 Ų | 87 | 62.6 Ų | 62.6 | 47% | 0.465 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -117.8 | 120.5 | 179.9 | -53.4 | -78.8 | 0 | 0 | 0 | 110.9 | K1984 R1988 W2033 | K1984-D2035 IonicContact NZ-OD2 3.71Å; K1984-D2035 PolarHBondContact NZ-OD2 2.91Å; R1988-D2035 PolarHBondContact NH1-O 2.7Å; R1988-D2035 VanDerWaalsContact NH1-O 3.12Å; W2033-D2035 PolarHBondContact O-N 3.48Å |
| 2036 | G | 72.2 | Confident | 81.8 | Confident | 58 Ų | 58 | 61 Ų | 61 | 60% | 0.598 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 125.8 | -169.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 2037 | P | 76.8 | Confident | 80.5 | Confident | 56 Ų | 56 | 63.6 Ų | 63.6 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -57.8 | 149.1 | 171.2 | 20.3 | -29.5 | 0 | 0 | 0 | 112 | E2041 L2042 | P2037-E2041 WeakPolarHBondContact CA-OE2 3.27Å; P2037-E2041 HydrophobicContact CB-CB 4.48Å; P2037-E2041 WeakPolarHBondContact CB-OE2 3.01Å; P2037-L2042 HydrophobicContact CB-CD2 4.23Å; P2037-L2042 HydrophobicContact CB-CG 4.3Å; P2037-L2042 HydrophobicContact CG-CD1 4.1Å; P2037-L2042 HydrophobicContact CG-CD2 3.92Å; P2037-L2042 HydrophobicContact CG-CG 4.24Å |
| 2038 | N | 77.9 | Confident | 78.8 | Confident | 87 Ų | 87 | 69.4 Ų | 69.4 | 47% | 0.465 | 38% | 0.383 | S | S | . | . | trans | -72.5 | 154.9 | -174 | -165.2 | -3.8 | 0 | 0 | 0 | 111 | V2040 E2041 L2042 | N2038-V2040 PolarHBondContact O-N 2.84Å; N2038-V2040 VanDerWaalsContact O-N 3.15Å; N2038-E2041 HydrophobicContact CB-CG 4.24Å; N2038-E2041 PolarHBondContact N-OE2 3.36Å; N2038-E2041 WeakPolarHBondContact O-CB 3.31Å; N2038-E2041 PolarHBondContact O-N 3.18Å; N2038-L2042 PolarHBondContact O-N 2.82Å | ||
| 2039 | A | 81.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -53.5 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | V2028 W2031 E2041 L2042 L2043 | V2028-A2039 HydrophobicContact CB-CB 4.26Å; V2028-A2039 HydrophobicContact CG1-CB 4.39Å; V2028-A2039 HydrophobicContact CG2-CB 3.86Å; W2031-A2039 HydrophobicContact CB-CB 4.13Å; W2031-A2039 HydrophobicContact CD2-CB 3.61Å; W2031-A2039 HydrophobicContact CE3-CB 3.91Å; W2031-A2039 HydrophobicContact CG-CB 3.75Å; W2031-A2039 HydrophobicContact CZ3-CB 4.5Å; A2039-E2041 PolarHBondContact O-N 3.5Å; A2039-L2042 PolarHBondContact O-N 3.34Å; A2039-L2043 HydrophobicContact CB-CD1 4.12Å; A2039-L2043 WeakPolarHBondContact O-CB 3.32Å; A2039-L2043 WeakPolarHBondContact O-CG 3.43Å; A2039-L2043 PolarHBondContact O-N 3.47Å |
| 2040 | V | 80.5 | Confident | 73.6 | Confident | 97 Ų | 97 | 73.9 Ų | 73.9 | 59% | 0.588 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -63.4 | -24.5 | 178 | -172.5 | 0 | 0 | 0 | 0 | 113.2 | V2028 N2038 | V2028-V2040 HydrophobicContact CG1-CG2 3.68Å; V2028-V2040 HydrophobicContact CG2-CG2 4.07Å; N2038-V2040 PolarHBondContact O-N 2.84Å; N2038-V2040 VanDerWaalsContact O-N 3.15Å |
| 2041 | E | 78.7 | Confident | 70.9 | Confident | 142 Ų | 142 | 76 Ų | 76 | 66% | 0.664 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -88.6 | -21.1 | -178.9 | -60.4 | 169.6 | 157.7 | 0 | 0 | 112.4 | P2037 N2038 A2039 | P2037-E2041 WeakPolarHBondContact CA-OE2 3.27Å; P2037-E2041 HydrophobicContact CB-CB 4.48Å; P2037-E2041 WeakPolarHBondContact CB-OE2 3.01Å; N2038-E2041 HydrophobicContact CB-CG 4.24Å; N2038-E2041 PolarHBondContact N-OE2 3.36Å; N2038-E2041 WeakPolarHBondContact O-CB 3.31Å; N2038-E2041 PolarHBondContact O-N 3.18Å; A2039-E2041 PolarHBondContact O-N 3.5Å |
| 2042 | L | 83.8 | Confident | 68.1 | Low | 41 Ų | 41 | 77.9 Ų | 77.9 | 22% | 0.215 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -107.2 | -33.6 | -173.9 | -59.7 | 176.1 | 0 | 0 | 0 | 113.6 | R1988 V1992 N1996 W2031 P2037 N2038 A2039 | R1988-L2042 HydrophobicContact CG-CD1 4.41Å; V1992-L2042 HydrophobicContact CG1-CB 4.17Å; V1992-L2042 WeakPolarHBondContact CG1-O 3.25Å; V1992-L2042 HydrophobicContact CG2-CB 3.74Å; V1992-L2042 HydrophobicContact CG2-CD1 3.93Å; V1992-L2042 HydrophobicContact CG2-CG 4.42Å; N1996-L2042 PolarHBondContact ND2-O 2.98Å; W2031-L2042 HydrophobicContact CZ2-CD1 4.13Å; P2037-L2042 HydrophobicContact CB-CD2 4.23Å; P2037-L2042 HydrophobicContact CB-CG 4.3Å; P2037-L2042 HydrophobicContact CG-CD1 4.1Å; P2037-L2042 HydrophobicContact CG-CD2 3.92Å; P2037-L2042 HydrophobicContact CG-CG 4.24Å; N2038-L2042 PolarHBondContact O-N 2.82Å; A2039-L2042 PolarHBondContact O-N 3.34Å |
| 2043 | L | 86.1 | Confident | 65.3 | Low | 13 Ų | 13 | 80.5 Ų | 80.5 | 7% | 0.068 | 49% | 0.487 | C | S | . | . | P | Polyproline II helix | trans | -95.7 | 121.7 | -173.7 | -55.9 | 178.1 | 0 | 0 | 0 | 110.1 | F1991 V1992 W1995 I2027 W2031 A2039 | F1991-L2043 HydrophobicContact CD1-CD2 4.43Å; F1991-L2043 HydrophobicContact CE1-CD2 4.33Å; V1992-L2043 HydrophobicContact CG2-CD2 4.01Å; W1995-L2043 HydrophobicContact CB-CD2 3.98Å; W1995-L2043 HydrophobicContact CG-CD2 3.9Å; I2027-L2043 HydrophobicContact CG2-CD1 3.53Å; W2031-L2043 HydrophobicContact CE3-CD1 4.28Å; W2031-L2043 HydrophobicContact CH2-CD1 4.43Å; W2031-L2043 HydrophobicContact CH2-CD2 4.31Å; W2031-L2043 HydrophobicContact CH2-CG 4.5Å; W2031-L2043 HydrophobicContact CZ3-CD1 3.83Å; W2031-L2043 HydrophobicContact CZ3-CD2 4.28Å; W2031-L2043 HydrophobicContact CZ3-CG 4.35Å; A2039-L2043 HydrophobicContact CB-CD1 4.12Å; A2039-L2043 WeakPolarHBondContact O-CB 3.32Å; A2039-L2043 WeakPolarHBondContact O-CG 3.43Å; A2039-L2043 PolarHBondContact O-N 3.47Å |
| 2044 | R | 82.6 | Confident | 62.5 | Low | 150 Ų | 150 | 84.2 Ų | 84.2 | 57% | 0.566 | 52% | 0.519 | S | S | * | . | P | Polyproline II helix | trans | -67.3 | 133.8 | 166.1 | -65.5 | 175.3 | 178.5 | -173.2 | -4.3 | 108.4 | W1995 N1996 L2000 | W1995-R2044 PolarHBondContact NE1-O 3.12Å; N1996-R2044 WeakPolarHBondContact OD1-CB 3.19Å; N1996-R2044 PolarHBondContact OD1-N 3.2Å; L2000-R2044 HydrophobicContact CD2-CB 3.41Å; L2000-R2044 VanDerWaalsContact CD2-CB 3.41Å; L2000-R2044 WeakPolarHBondContact CD2-O 3.19Å |
| 2045 | T | 78.2 | Confident | 60 | Low | 83 Ų | 83 | 89.4 Ų | 89.4 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | P | Polyproline II helix | trans | -86 | 171.5 | 172.2 | 61.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 2046 | L | 70.5 | Confident | 57.9 | Low | 11 Ų | 11 | 97.1 Ų | 97.1 | 6% | 0.058 | 55% | 0.549 | C | S | . | . | P | Polyproline II helix | trans | -70.4 | 139.7 | 165.2 | -71.4 | 169.2 | 0 | 0 | 0 | 108.5 | L2000 L2003 A2004 V2007 E2022 Y2048 | L2000-L2046 HydrophobicContact CD1-CD2 3.61Å; L2000-L2046 HydrophobicContact CD1-CG 3.78Å; L2000-L2046 HydrophobicContact CG-CD2 4.42Å; L2003-L2046 HydrophobicContact CB-CD1 4.41Å; L2003-L2046 HydrophobicContact CB-CD2 4.16Å; A2004-L2046 HydrophobicContact CB-CD2 4.04Å; V2007-L2046 HydrophobicContact CG2-CD1 4.03Å; E2022-L2046 PolarHBondContact OE1-N 3.48Å; L2046-Y2048 HydrophobicContact CB-CD2 4.46Å; L2046-Y2048 PolarHBondContact O-N 2.6Å |
| 2047 | P | 57.4 | Low | 56.1 | Low | 121 Ų | 121 | 98 Ų | 98 | 79% | 0.786 | 54% | 0.542 | S | S | * | . | trans | -74.3 | 74.2 | 169.9 | 31.3 | -33.9 | 0 | 0 | 0 | 109.4 | A2049 | P2047-A2049 VanDerWaalsContact C-N 3.31Å; P2047-A2049 PolarHBondContact O-N 2.94Å | ||
| 2048 | Y | 52.2 | Low | 54 | Low | 121 Ų | 121 | 100.6 Ų | 100.6 | 48% | 0.475 | 55% | 0.553 | S | S | . | * | trans | -62.2 | 98.7 | 160.5 | -98.4 | -72.3 | 0 | 0 | 0 | 107.7 | E2022 L2046 K2050 | E2022-Y2048 HydrophobicContact CG-CD2 4.49Å; E2022-Y2048 HydrophobicContact CG-CE2 4.31Å; L2046-Y2048 HydrophobicContact CB-CD2 4.46Å; L2046-Y2048 PolarHBondContact O-N 2.6Å; Y2048-K2050 PolarHBondContact O-N 2.88Å | ||
| 2049 | A | 31.2 | Very low | 51.8 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | trans | -55.6 | 127.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | P2047 A2051 | P2047-A2049 VanDerWaalsContact C-N 3.31Å; P2047-A2049 PolarHBondContact O-N 2.94Å; A2049-A2051 HydrophobicContact CB-CB 3.97Å; A2049-A2051 PolarHBondContact O-N 3.33Å | ||
| 2050 | K | 33.5 | Very low | 49.7 | Very low | 198 Ų | 198 | 114.6 Ų | 114.6 | 86% | 0.861 | 61% | 0.61 | S | S | * | * | G | 310 helix | trans | -67 | 19 | 167.1 | -75.6 | -178.1 | 175.9 | 175.2 | 0 | 112.8 | Y2048 G2052 G2053 | Y2048-K2050 PolarHBondContact O-N 2.88Å; K2050-G2052 PolarHBondContact O-N 3.27Å; K2050-G2052 VanDerWaalsContact O-N 3.14Å; K2050-G2053 WeakPolarHBondContact O-CA 3.2Å; K2050-G2053 PolarHBondContact O-N 2.88Å |
| 2051 | A | 31.4 | Very low | 47.8 | Very low | 83 Ų | 83 | 113.6 Ų | 113.6 | 69% | 0.686 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -64.4 | -7.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2049 | A2049-A2051 HydrophobicContact CB-CB 3.97Å; A2049-A2051 PolarHBondContact O-N 3.33Å |
| 2052 | G | 29.6 | Very low | 46 | Very low | 71 Ų | 71 | 116.8 Ų | 116.8 | 73% | 0.732 | 61% | 0.613 | S | S | * | * | G | 310 helix | trans | -76.8 | -23.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K2050 A2054 | K2050-G2052 PolarHBondContact O-N 3.27Å; K2050-G2052 VanDerWaalsContact O-N 3.14Å; G2052-A2054 VanDerWaalsContact C-N 3.31Å; G2052-A2054 PolarHBondContact O-N 2.94Å |
| 2053 | G | 29.2 | Very low | 44.7 | Very low | 76 Ų | 76 | 118.5 Ų | 118.5 | 78% | 0.784 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.7 | 12.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | K2050 | K2050-G2053 WeakPolarHBondContact O-CA 3.2Å; K2050-G2053 PolarHBondContact O-N 2.88Å |
| 2054 | A | 28.5 | Very low | 43.5 | Very low | 84 Ų | 84 | 122.6 Ų | 122.6 | 69% | 0.694 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -2.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | G2052 R2056 | G2052-A2054 VanDerWaalsContact C-N 3.31Å; G2052-A2054 PolarHBondContact O-N 2.94Å; A2054-R2056 PolarHBondContact O-N 3.34Å |
| 2055 | R | 28 | Very low | 42.9 | Very low | 221 Ų | 221 | 120.4 Ų | 120.4 | 83% | 0.834 | 65% | 0.648 | S | S | * | * | trans | -79.9 | 75.1 | 165 | -84.5 | -161.4 | 176.2 | -161.2 | 0.6 | 110.9 | V2057 | R2055-V2057 HydrophobicContact CB-CG2 4.37Å; R2055-V2057 HydrophobicContact CG-CG2 4.28Å; R2055-V2057 PolarHBondContact O-N 3.36Å; R2055-V2057 VanDerWaalsContact O-N 3.09Å | ||
| 2056 | R | 27 | Very low | 42.4 | Very low | 248 Ų | 248 | 117.9 Ų | 117.9 | 94% | 0.936 | 63% | 0.634 | S | S | * | * | trans | -65.7 | 91.6 | 141.6 | -76.8 | -170.2 | 178.2 | -154.3 | 3.2 | 107 | A2054 | A2054-R2056 PolarHBondContact O-N 3.34Š| ||
| 2057 | V | 33.5 | Very low | 42.5 | Very low | 76 Ų | 76 | 121.2 Ų | 121.2 | 46% | 0.461 | 66% | 0.655 | S | S | . | * | trans | -127.3 | 135.3 | 161.2 | -178.2 | 0 | 0 | 0 | 0 | 106 | R2055 | R2055-V2057 HydrophobicContact CB-CG2 4.37Å; R2055-V2057 HydrophobicContact CG-CG2 4.28Å; R2055-V2057 PolarHBondContact O-N 3.36Å; R2055-V2057 VanDerWaalsContact O-N 3.09Å | ||
| 2058 | N | 32.4 | Very low | 43.3 | Very low | 112 Ų | 112 | 120 Ų | 120 | 60% | 0.599 | 64% | 0.642 | S | S | * | * | trans | -63.2 | 158.3 | -161.9 | -57.2 | -42.1 | 0 | 0 | 0 | 112.4 | D2060 | N2058-D2060 HydrophobicContact CB-CB 4.07Å; N2058-D2060 PolarHBondContact O-N 3.06Å | ||
| 2059 | R | 31.4 | Very low | 44.6 | Very low | 248 Ų | 248 | 117.8 Ų | 117.8 | 94% | 0.936 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -78.1 | 12.8 | 156 | -85.5 | -172.3 | 164.8 | -157.5 | -2.6 | 112.3 | ||
| 2060 | D | 37.3 | Very low | 46.4 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 71% | 0.711 | 63% | 0.634 | S | S | * | * | trans | -134.7 | 64.9 | -174.2 | -59 | -73.5 | 0 | 0 | 0 | 109.2 | N2058 | N2058-D2060 HydrophobicContact CB-CB 4.07Å; N2058-D2060 PolarHBondContact O-N 3.06Å | ||
| 2061 | D | 40.2 | Very low | 48.2 | Very low | 76 Ų | 76 | 117.4 Ų | 117.4 | 41% | 0.406 | 62% | 0.622 | S | S | . | * | trans | -140.1 | 60.1 | 170.7 | -91.4 | -57.7 | 0 | 0 | 0 | 108 | D2063 | D2061-D2063 PolarHBondContact O-N 3.42Š| ||
| 2062 | K | 41.6 | Very low | 50.1 | Low | 209 Ų | 209 | 117.7 Ų | 117.7 | 91% | 0.909 | 61% | 0.609 | S | S | * | * | trans | -81.7 | 15 | 176.8 | -84.3 | -171.4 | 179.4 | 176.3 | 0 | 113.6 | P2064 | K2062-P2064 WeakPolarHBondContact O-CD 3.24Š| ||
| 2063 | D | 56 | Low | 52 | Low | 76 Ų | 76 | 119.7 Ų | 119.7 | 41% | 0.406 | 60% | 0.599 | S | S | . | * | trans | -96.9 | 111.1 | -179.9 | -179.7 | 18.7 | 0 | 0 | 0 | 111.6 | D2061 L2065 S2066 | D2061-D2063 PolarHBondContact O-N 3.42Å; D2063-L2065 PolarHBondContact O-N 2.92Å; D2063-L2065 WeakPolarHBondContact OD1-CB 3.46Å; D2063-L2065 PolarHBondContact OD1-N 3.28Å; D2063-L2065 WeakPolarHBondContact OD2-CB 3.4Å; D2063-S2066 PolarHBondContact O-N 3.49Å; D2063-S2066 PolarHBondContact O-OG 2.84Å; D2063-S2066 PolarHBondContact OD2-N 3.19Å | ||
| 2064 | P | 62 | Low | 53 | Low | 100 Ų | 100 | 121.4 Ų | 121.4 | 65% | 0.649 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.8 | -25.7 | 173.8 | 27.7 | -34.7 | 0 | 0 | 0 | 112.4 | K2062 T2067 L2068 | K2062-P2064 WeakPolarHBondContact O-CD 3.24Å; P2064-T2067 PolarHBondContact O-N 2.97Å; P2064-L2068 WeakPolarHBondContact O-CB 3.47Å; P2064-L2068 PolarHBondContact O-N 2.97Å |
| 2065 | L | 69.1 | Low | 54 | Low | 103 Ų | 103 | 120.9 Ų | 120.9 | 54% | 0.539 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.5 | -42.1 | -178.9 | -170.7 | 68.2 | 0 | 0 | 0 | 111.6 | D2063 T2067 L2068 I2069 | D2063-L2065 PolarHBondContact O-N 2.92Å; D2063-L2065 WeakPolarHBondContact OD1-CB 3.46Å; D2063-L2065 PolarHBondContact OD1-N 3.28Å; D2063-L2065 WeakPolarHBondContact OD2-CB 3.4Å; L2065-T2067 VanDerWaalsContact C-N 3.27Å; L2065-T2067 PolarHBondContact O-N 2.66Å; L2065-L2068 PolarHBondContact O-N 3.02Å; L2065-L2068 VanDerWaalsContact O-N 3.14Å; L2065-I2069 HydrophobicContact CG-CD1 4.02Å; L2065-I2069 WeakPolarHBondContact O-CB 3.33Å; L2065-I2069 VanDerWaalsContact O-CG1 3.29Å; L2065-I2069 WeakPolarHBondContact O-CG1 3.22Å; L2065-I2069 PolarHBondContact O-N 3.38Å |
| 2066 | S | 69 | Low | 55 | Low | 30 Ų | 30 | 118.4 Ų | 118.4 | 21% | 0.21 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -58.4 | -37 | 174.3 | 75.8 | 0 | 0 | 0 | 0 | 113.3 | D2063 R2070 | D2063-S2066 PolarHBondContact O-N 3.49Å; D2063-S2066 PolarHBondContact O-OG 2.84Å; D2063-S2066 PolarHBondContact OD2-N 3.19Å; S2066-R2070 PolarHBondContact O-N 3.44Å |
| 2067 | T | 72.3 | Confident | 55.8 | Low | 81 Ų | 81 | 110 Ų | 110 | 50% | 0.497 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -73.6 | -38.8 | 176.1 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | P2064 L2065 R2070 L2071 | P2064-T2067 PolarHBondContact O-N 2.97Å; L2065-T2067 VanDerWaalsContact C-N 3.27Å; L2065-T2067 PolarHBondContact O-N 2.66Å; T2067-R2070 PolarHBondContact O-N 3.03Å; T2067-L2071 HydrophobicContact CG2-CD1 4.25Å; T2067-L2071 WeakPolarHBondContact O-CG 3.43Å; T2067-L2071 PolarHBondContact O-N 2.91Å |
| 2068 | L | 73.6 | Confident | 56.2 | Low | 97 Ų | 97 | 113.6 Ų | 113.6 | 51% | 0.508 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -67.2 | -41.4 | 177 | -153.7 | 160.1 | 0 | 0 | 0 | 111.2 | P2064 L2065 R2070 L2071 Q2072 | P2064-L2068 WeakPolarHBondContact O-CB 3.47Å; P2064-L2068 PolarHBondContact O-N 2.97Å; L2065-L2068 PolarHBondContact O-N 3.02Å; L2065-L2068 VanDerWaalsContact O-N 3.14Å; L2068-R2070 PolarHBondContact O-N 3.11Å; L2068-L2071 PolarHBondContact O-N 3.5Å; L2068-Q2072 VanDerWaalsContact O-CB 3.27Å; L2068-Q2072 WeakPolarHBondContact O-CB 3.41Å; L2068-Q2072 PolarHBondContact O-N 3.39Å |
| 2069 | I | 79.8 | Confident | 56.7 | Low | 73 Ų | 73 | 111.9 Ų | 111.9 | 37% | 0.374 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -59.6 | -44.9 | 172.8 | -70.8 | 165.6 | 0 | 0 | 0 | 110.8 | L2065 Q2072 Q2073 | L2065-I2069 HydrophobicContact CG-CD1 4.02Å; L2065-I2069 WeakPolarHBondContact O-CB 3.33Å; L2065-I2069 VanDerWaalsContact O-CG1 3.29Å; L2065-I2069 WeakPolarHBondContact O-CG1 3.22Å; L2065-I2069 PolarHBondContact O-N 3.38Å; I2069-Q2072 CarbonylContact O-C 3.59Å; I2069-Q2072 PolarHBondContact O-N 2.58Å; I2069-Q2073 HydrophobicContact CG2-CG 4.47Å; I2069-Q2073 WeakPolarHBondContact O-CB 3.38Å; I2069-Q2073 VanDerWaalsContact O-CG 3.3Å; I2069-Q2073 WeakPolarHBondContact O-CG 3.47Å; I2069-Q2073 PolarHBondContact O-N 3.22Å |
| 2070 | R | 68.5 | Low | 57 | Low | 152 Ų | 152 | 110.4 Ų | 110.4 | 57% | 0.574 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -42.5 | 175 | -84.3 | 178 | 162.3 | 144.2 | -2.5 | 112.7 | S2066 T2067 L2068 Q2072 Q2073 N2074 | S2066-R2070 PolarHBondContact O-N 3.44Å; T2067-R2070 PolarHBondContact O-N 3.03Å; L2068-R2070 PolarHBondContact O-N 3.11Å; R2070-Q2072 VanDerWaalsContact C-N 3.33Å; R2070-Q2072 PolarHBondContact O-N 3.42Å; R2070-Q2073 PolarHBondContact O-N 3.33Å; R2070-N2074 PolarHBondContact O-N 3.42Å; R2070-N2074 PolarHBondContact O-OD1 2.67Å |
| 2071 | L | 71.1 | Confident | 56.8 | Low | 116 Ų | 116 | 113 Ų | 113 | 61% | 0.607 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -61.4 | -41.4 | 173.7 | -78 | 164.3 | 0 | 0 | 0 | 111.8 | T2067 L2068 N2074 S2075 | T2067-L2071 HydrophobicContact CG2-CD1 4.25Å; T2067-L2071 WeakPolarHBondContact O-CG 3.43Å; T2067-L2071 PolarHBondContact O-N 2.91Å; L2068-L2071 PolarHBondContact O-N 3.5Å; L2071-N2074 PolarHBondContact O-N 2.95Å; L2071-S2075 WeakPolarHBondContact O-CB 3.14Å; L2071-S2075 PolarHBondContact O-N 3.23Å; L2071-S2075 PolarHBondContact O-OG 3.12Å |
| 2072 | Q | 71.4 | Confident | 56.5 | Low | 89 Ų | 89 | 116.5 Ų | 116.5 | 42% | 0.416 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.7 | -21.1 | -179.8 | -161.7 | 177.9 | 38.4 | 0 | 0 | 113.4 | L2068 I2069 R2070 S2075 R2076 | L2068-Q2072 VanDerWaalsContact O-CB 3.27Å; L2068-Q2072 WeakPolarHBondContact O-CB 3.41Å; L2068-Q2072 PolarHBondContact O-N 3.39Å; I2069-Q2072 CarbonylContact O-C 3.59Å; I2069-Q2072 PolarHBondContact O-N 2.58Å; R2070-Q2072 VanDerWaalsContact C-N 3.33Å; R2070-Q2072 PolarHBondContact O-N 3.42Å; Q2072-S2075 PolarHBondContact O-OG 2.87Å; Q2072-R2076 WeakPolarHBondContact O-CD 3.27Å; Q2072-R2076 VanDerWaalsContact O-CG 3.24Å; Q2072-R2076 WeakPolarHBondContact O-CG 3.18Å |
| 2073 | Q | 70.8 | Confident | 56 | Low | 114 Ų | 114 | 115.7 Ų | 115.7 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -77 | -46.4 | 168.3 | -76.2 | 172.1 | -7.2 | 0 | 0 | 110.8 | I2069 R2070 S2075 R2076 A2077 | I2069-Q2073 HydrophobicContact CG2-CG 4.47Å; I2069-Q2073 WeakPolarHBondContact O-CB 3.38Å; I2069-Q2073 VanDerWaalsContact O-CG 3.3Å; I2069-Q2073 WeakPolarHBondContact O-CG 3.47Å; I2069-Q2073 PolarHBondContact O-N 3.22Å; R2070-Q2073 PolarHBondContact O-N 3.33Å; Q2073-S2075 PolarHBondContact O-N 3.31Å; Q2073-R2076 WeakPolarHBondContact O-CB 2.92Å; Q2073-R2076 PolarHBondContact O-N 3.04Å; Q2073-R2076 VanDerWaalsContact O-N 3.08Å; Q2073-A2077 PolarHBondContact O-N 2.92Å |
| 2074 | N | 50.3 | Low | 54.8 | Low | 111 Ų | 111 | 123.8 Ų | 123.8 | 59% | 0.594 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.4 | -43.3 | 175.2 | -77.1 | 29.5 | 0 | 0 | 0 | 111.7 | R2070 L2071 R2076 A2077 D2078 | R2070-N2074 PolarHBondContact O-N 3.42Å; R2070-N2074 PolarHBondContact O-OD1 2.67Å; L2071-N2074 PolarHBondContact O-N 2.95Å; N2074-R2076 PolarHBondContact O-N 3.09Å; N2074-R2076 VanDerWaalsContact O-N 3.1Å; N2074-A2077 WeakPolarHBondContact O-CB 3.12Å; N2074-A2077 PolarHBondContact O-N 3.16Å; N2074-D2078 PolarHBondContact O-N 2.81Å |
| 2075 | S | 49.1 | Very low | 53.4 | Low | 73 Ų | 73 | 123.5 Ų | 123.5 | 51% | 0.51 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -68.2 | -7.2 | 175.6 | 81 | 0 | 0 | 0 | 0 | 114.1 | L2071 Q2072 Q2073 | L2071-S2075 WeakPolarHBondContact O-CB 3.14Å; L2071-S2075 PolarHBondContact O-N 3.23Å; L2071-S2075 PolarHBondContact O-OG 3.12Å; Q2072-S2075 PolarHBondContact O-OG 2.87Å; Q2073-S2075 PolarHBondContact O-N 3.31Å |
| 2076 | R | 48.4 | Very low | 51.5 | Low | 170 Ų | 170 | 125.6 Ų | 125.6 | 64% | 0.642 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -96.8 | -14.2 | 169.8 | -80 | 173.5 | 170.3 | 155.6 | -3.4 | 113 | Q2072 Q2073 N2074 | Q2072-R2076 WeakPolarHBondContact O-CD 3.27Å; Q2072-R2076 VanDerWaalsContact O-CG 3.24Å; Q2072-R2076 WeakPolarHBondContact O-CG 3.18Å; Q2073-R2076 WeakPolarHBondContact O-CB 2.92Å; Q2073-R2076 PolarHBondContact O-N 3.04Å; Q2073-R2076 VanDerWaalsContact O-N 3.08Å; N2074-R2076 PolarHBondContact O-N 3.09Å; N2074-R2076 VanDerWaalsContact O-N 3.1Å |
| 2077 | A | 43.5 | Very low | 49.7 | Very low | 70 Ų | 70 | 132 Ų | 132 | 58% | 0.579 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -80 | -47.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q2073 N2074 A2079 R2080 | Q2073-A2077 PolarHBondContact O-N 2.92Å; N2074-A2077 WeakPolarHBondContact O-CB 3.12Å; N2074-A2077 PolarHBondContact O-N 3.16Å; A2077-A2079 PolarHBondContact O-N 3.41Å; A2077-A2079 VanDerWaalsContact O-N 3.1Å; A2077-R2080 PolarHBondContact O-N 2.72Å |
| 2078 | D | 43 | Very low | 47.7 | Very low | 152 Ų | 152 | 136.1 Ų | 136.1 | 81% | 0.813 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -7.3 | 177.9 | -69.1 | -37.1 | 0 | 0 | 0 | 113.8 | N2074 R2080 | N2074-D2078 PolarHBondContact O-N 2.81Å; D2078-R2080 VanDerWaalsContact C-N 3.35Å; D2078-R2080 PolarHBondContact O-N 2.98Å |
| 2079 | A | 42.4 | Very low | 45.6 | Very low | 76 Ų | 76 | 135.5 Ų | 135.5 | 63% | 0.628 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 17.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A2077 | A2077-A2079 PolarHBondContact O-N 3.41Å; A2077-A2079 VanDerWaalsContact O-N 3.1Å |
| 2080 | R | 38.1 | Very low | 43.3 | Very low | 217 Ų | 217 | 138.9 Ų | 138.9 | 82% | 0.819 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -141.8 | 47.2 | -171.4 | -93.4 | -172.7 | 167.7 | 162.7 | -4.5 | 115.9 | A2077 D2078 | A2077-R2080 PolarHBondContact O-N 2.72Å; D2078-R2080 VanDerWaalsContact C-N 3.35Å; D2078-R2080 PolarHBondContact O-N 2.98Å |
| 2081 | M | 32.6 | Very low | 41.6 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 93% | 0.926 | 72% | 0.716 | S | S | * | * | trans | -150.5 | 90.7 | 150.5 | -97.9 | -53.1 | 168.1 | 0 | 0 | 111.5 | ||||
| 2082 | D | 33.3 | Very low | 39.7 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 72% | 0.718 | S | S | * | * | trans | -149.4 | 163.2 | 167.5 | -128 | -34.6 | 0 | 0 | 0 | 109 | ||||
| 2083 | Y | 31.5 | Very low | 38 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 75% | 0.753 | 74% | 0.738 | S | S | * | * | trans | 70.7 | 86.6 | -179.4 | -67.2 | -84.4 | 0 | 0 | 0 | 119.7 | T2085 | Y2083-T2085 HydrophobicContact CD1-CG2 3.89Å; Y2083-T2085 HydrophobicContact CE1-CG2 4.48Å | ||
| 2084 | R | 30.5 | Very low | 36.1 | Very low | 246 Ų | 246 | 139.4 Ų | 139.4 | 93% | 0.928 | 75% | 0.746 | S | S | * | * | trans | -165.1 | 69 | 137.3 | -109.9 | 178.7 | -179.2 | 177 | 0.9 | 108.9 | ||||
| 2085 | T | 33.1 | Very low | 35.4 | Very low | 93 Ų | 93 | 137.1 Ų | 137.1 | 57% | 0.571 | 74% | 0.742 | S | S | * | * | 39.3 | 106.2 | 78 | 68.8 | 0 | 0 | 0 | 0 | 115.8 | Y2083 | Y2083-T2085 HydrophobicContact CD1-CG2 3.89Å; Y2083-T2085 HydrophobicContact CE1-CG2 4.48Å | |||
| 2086 | N | 30.2 | Very low | 34.5 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | trans | 43.1 | 112 | 140.3 | -53.7 | -9.2 | 0 | 0 | 0 | 119.3 | ||||
| 2087 | N | 30.8 | Very low | 33.6 | Very low | 163 Ų | 163 | 135.3 Ų | 135.3 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | -169.4 | 171.2 | 118.7 | -107.5 | -46.8 | 0 | 0 | 0 | 113.4 | |||||
| 2088 | L | 30.5 | Very low | 32.8 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | trans | 72.1 | 102.5 | 170.5 | -67 | 162 | 0 | 0 | 0 | 117.6 | ||||
| 2089 | A | 29.1 | Very low | 32 | Very low | 85 Ų | 85 | 137.7 Ų | 137.7 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | -89.5 | -177.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 2090 | N | 31.4 | Very low | 31.3 | Very low | 143 Ų | 143 | 143.4 Ų | 143.4 | 77% | 0.765 | 78% | 0.781 | S | S | * | * | trans | 92.7 | 145.7 | 169.1 | -58.2 | -22.6 | 0 | 0 | 0 | 118.7 | ||||
| 2091 | F | 31.8 | Very low | 31 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 91% | 0.912 | 78% | 0.779 | S | S | * | * | trans | 73.6 | 125.4 | 174.1 | -60.8 | -73.4 | 0 | 0 | 0 | 118.8 | ||||
| 2092 | A | 31.9 | Very low | 30.9 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 65% | 0.645 | 77% | 0.771 | S | S | * | * | trans | -112.2 | -141.3 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 2093 | P | 35.9 | Very low | 30.7 | Very low | 129 Ų | 129 | 136.4 Ų | 136.4 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | -109.6 | 179.8 | -87.3 | 34.5 | -23.8 | 0 | 0 | 0 | 113.1 | |||||
| 2094 | G | 31.4 | Very low | 30.7 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | 152 | 135.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 2095 | A | 34.1 | Very low | 30.7 | Very low | 62 Ų | 62 | 126.1 Ų | 126.1 | 51% | 0.512 | 76% | 0.76 | S | S | . | * | trans | 61.7 | 87.5 | 156.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2096 | T | 30.9 | Very low | 30.6 | Very low | 120 Ų | 120 | 128.3 Ų | 128.3 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | 51.2 | 158.4 | 114.5 | 56 | 0 | 0 | 0 | 0 | 124.4 | N1117 | N1117-T2096 PolarHBondContact ND2-O 3.49Š| |||
| 2097 | S | 29.6 | Very low | 30.6 | Very low | 86 Ų | 86 | 126.9 Ų | 126.9 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | 67.7 | 97.7 | 161.6 | 59.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 2098 | D | 27.3 | Very low | 30.6 | Very low | 159 Ų | 159 | 124.2 Ų | 124.2 | 85% | 0.85 | 76% | 0.764 | S | S | * | * | 62.5 | 107.5 | 121.4 | -43.7 | -29.3 | 0 | 0 | 0 | 121.2 | |||||
| 2099 | S | 25.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 120.5 Ų | 120.5 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | -174.5 | 144.7 | 92 | -158.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 2100 | I | 27.7 | Very low | 30.7 | Very low | 196 Ų | 196 | 123.7 Ų | 123.7 | 100% | 1.005 | 76% | 0.759 | S | S | * | * | trans | 70.6 | 0 | 173.9 | -50.4 | -174.6 | 0 | 0 | 0 | 117.5 | Y1109 | Y1109-I2100 PolarHBondContact OH-OXT 2.97Š|
Retrieved 2,100 of 2,100 residues in 731.5 ms
(Link to these results)