| 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 | 33.7 | Very low | 38.6 | Very low | 233 Ų | 233 | 142.8 Ų | 142.8 | 100% | 1.148 | 79% | 0.789 | S | S | * | * | 0 | 17.1 | 0 | -156.2 | 175.3 | -123.1 | 0 | 0 | 113.2 | |||||
| 2 | F | 38.5 | Very low | 39.5 | Very low | 210 Ų | 210 | 136.4 Ų | 136.4 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -134 | 99.8 | 174.4 | -75.7 | -80 | 0 | 0 | 0 | 110.9 | ||||
| 3 | K | 30.8 | Very low | 40.7 | Very low | 204 Ų | 204 | 140.6 Ų | 140.6 | 89% | 0.887 | 78% | 0.775 | S | S | * | * | trans | -133.3 | 144.6 | 157.4 | -82.9 | -174.9 | 173.4 | -179 | 0 | 105.3 | ||||
| 4 | C | 35.7 | Very low | 42.9 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 89.7 | 87.2 | -178.6 | -44.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 5 | L | 38.4 | Very low | 45.5 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | -146.7 | 86.6 | 148.2 | -94 | 179.1 | 0 | 0 | 0 | 110.4 | I7 | L5-I7 PolarHBondContact O-N 3Š| ||
| 6 | P | 35.7 | Very low | 48.3 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 56% | 0.558 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | 46.3 | -169.5 | -17.2 | 36.3 | 0 | 0 | 0 | 116.9 | P737 | P6-P737 HydrophobicContact CB-CG 4.29Å; P6-P737 HydrophobicContact CG-CG 3.72Å |
| 7 | I | 47.5 | Very low | 51 | Low | 113 Ų | 113 | 123.9 Ų | 123.9 | 58% | 0.579 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.2 | -12.5 | 180 | -84.2 | 179.9 | 0 | 0 | 0 | 115 | L5 H736 | L5-I7 PolarHBondContact O-N 3Å; I7-H736 VanDerWaalsContact CB-CE1 3.48Å; I7-H736 WeakPolarHBondContact CB-CE1 3.45Å; I7-H736 VanDerWaalsContact CD1-CE1 3.41Å; I7-H736 WeakPolarHBondContact CD1-CE1 2.92Å; I7-H736 WeakPolarHBondContact CG1-CE1 3.37Å |
| 8 | I | 41.9 | Very low | 53.4 | Low | 163 Ų | 163 | 117.3 Ų | 117.3 | 84% | 0.836 | 64% | 0.639 | S | S | * | * | S | Bend | trans | -104 | 91.1 | 172.4 | -53.2 | 176.4 | 0 | 0 | 0 | 107.9 | ||
| 9 | G | 40.2 | Very low | 55.5 | Low | 55 Ų | 55 | 112.3 Ų | 112.3 | 57% | 0.567 | 61% | 0.611 | S | S | * | * | trans | -61.8 | 142.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | C11 | G9-C11 PolarHBondContact O-N 2.69Š| ||
| 10 | P | 42.4 | Very low | 57.5 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 73% | 0.734 | 60% | 0.598 | S | S | * | * | trans | -62.5 | 130.4 | 178.9 | 27.1 | -33.5 | 0 | 0 | 0 | 108.8 | G12 | P10-G12 PolarHBondContact O-N 3.13Š| ||
| 11 | C | 39.8 | Very low | 59.4 | Low | 132 Ų | 132 | 107.5 Ų | 107.5 | 89% | 0.892 | 58% | 0.576 | S | S | * | * | trans | -62 | 89 | 169.1 | -69.6 | 0 | 0 | 0 | 0 | 108.8 | G9 R13 | G9-C11 PolarHBondContact O-N 2.69Å; C11-R13 PolarHBondContact O-N 2.8Å; C11-R13 VanDerWaalsContact O-N 3.13Å | ||
| 12 | G | 49.4 | Very low | 62.2 | Low | 66 Ų | 66 | 96.6 Ų | 96.6 | 68% | 0.68 | 52% | 0.522 | S | S | * | . | trans | -62.5 | 113.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | P10 H14 | P10-G12 PolarHBondContact O-N 3.13Å; G12-H14 PolarHBondContact O-N 3.42Å | ||
| 13 | R | 55.4 | Low | 64.9 | Low | 191 Ų | 191 | 88.5 Ų | 88.5 | 72% | 0.721 | 49% | 0.491 | S | S | * | . | trans | -55.3 | 134.1 | 166.4 | -68.3 | -178.4 | 177.1 | -176 | -2.5 | 107.1 | C11 T15 | C11-R13 PolarHBondContact O-N 2.8Å; C11-R13 VanDerWaalsContact O-N 3.13Å; R13-T15 PolarHBondContact O-N 2.61Å | ||
| 14 | H | 71.5 | Confident | 67.8 | Low | 116 Ų | 116 | 82 Ų | 82 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | trans | -66.1 | 118.8 | 172.6 | -160.9 | 82.3 | 0 | 0 | 0 | 106.8 | G12 D16 T38 | G12-H14 PolarHBondContact O-N 3.42Å; H14-D16 IonicContact CD2-OD2 2.65Å; H14-T38 VanDerWaalsContact ND1-CG2 3.29Å; H14-T38 WeakPolarHBondContact ND1-CG2 3.37Å | ||
| 15 | T | 81.4 | Confident | 70.6 | Confident | 35 Ų | 35 | 78.1 Ų | 78.1 | 22% | 0.215 | 43% | 0.434 | C | S | . | . | trans | -125.4 | 103.1 | 176.5 | -59.5 | 0 | 0 | 0 | 0 | 106.8 | R13 H17 I18 T38 L39 | R13-T15 PolarHBondContact O-N 2.61Å; T15-H17 VanDerWaalsContact CG2-O 3.31Å; T15-H17 WeakPolarHBondContact CG2-O 3.01Å; T15-I18 HydrophobicContact CG2-CD1 4.21Å; T15-I18 HydrophobicContact CG2-CG1 3.64Å; T15-T38 PolarHBondContact N-OG1 3.19Å; T15-T38 CarbonylContact O-C 3.56Å; T15-T38 VanDerWaalsContact O-C 3.27Å; T15-T38 VanDerWaalsContact O-CB 3.32Å; T15-T38 WeakPolarHBondContact O-CB 3.19Å; T15-T38 PolarHBondContact O-OG1 2.97Å; T15-L39 HydrophobicContact CG2-CD1 4.44Å; T15-L39 WeakPolarHBondContact O-CA 3.38Å; T15-L39 PolarHBondContact O-N 2.95Å | ||
| 16 | D | 90.4 | Very high | 73.4 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 45% | 0.449 | 43% | 0.429 | S | S | . | . | trans | -93 | -35.2 | 178.3 | 40.8 | 16.1 | 0 | 0 | 0 | 111.2 | H14 T38 E40 E41 | H14-D16 IonicContact CD2-OD2 2.65Å; D16-T38 WeakPolarHBondContact CA-O 3.14Å; D16-E40 HydrophobicContact CB-CG 4.34Å; D16-E40 PolarHBondContact O-N 2.94Å; D16-E41 PolarHBondContact O-N 2.72Å | ||
| 17 | H | 93.5 | Very high | 76.2 | Confident | 43 Ų | 43 | 80.8 Ų | 80.8 | 20% | 0.199 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 132.1 | 173.1 | -176.8 | -90.2 | 0 | 0 | 0 | 112.2 | T15 D19 E41 R43 | T15-H17 VanDerWaalsContact CG2-O 3.31Å; T15-H17 WeakPolarHBondContact CG2-O 3.01Å; H17-D19 IonicContact CE1-OD2 3.01Å; H17-D19 PolarHBondContact CE1-OD2 2.81Å; H17-D19 IonicContact NE2-OD2 3.44Å; H17-E41 CarbonylContact C-O 3.58Å; H17-E41 WeakPolarHBondContact CA-O 3.37Å; H17-E41 HydrophobicContact CB-CB 4.36Å; H17-E41 IonicContact CD2-OE2 3.16Å; H17-E41 PolarHBondContact CD2-OE2 2.65Å; H17-R43 PolarHBondContact NE2-NH1 2.88Å |
| 18 | I | 94.2 | Very high | 78.4 | Confident | 6 Ų | 6 | 76 Ų | 76 | 3% | 0.031 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 133.5 | 164.5 | -71.1 | 170 | 0 | 0 | 0 | 109.8 | T15 R20 V32 N35 L39 E41 C42 R43 | T15-I18 HydrophobicContact CG2-CD1 4.21Å; T15-I18 HydrophobicContact CG2-CG1 3.64Å; I18-R20 HydrophobicContact CG2-CG 3.95Å; I18-V32 HydrophobicContact CD1-CB 4.32Å; I18-V32 HydrophobicContact CD1-CG2 3.96Å; I18-V32 HydrophobicContact CG2-CG2 3.93Å; I18-N35 HydrophobicContact CD1-CB 4.37Å; I18-L39 HydrophobicContact CB-CD1 3.84Å; I18-L39 HydrophobicContact CD1-CD1 3.58Å; I18-L39 HydrophobicContact CD1-CD2 3.87Å; I18-L39 HydrophobicContact CD1-CG 4.39Å; I18-L39 HydrophobicContact CG1-CD1 3.47Å; I18-L39 VanDerWaalsContact CG1-CD1 3.47Å; I18-L39 HydrophobicContact CG1-CD2 4.5Å; I18-E41 PolarHBondContact N-O 3.2Å; I18-C42 WeakPolarHBondContact O-CA 3.19Å; I18-R43 PolarHBondContact O-N 2.72Å |
| 19 | D | 95 | Very high | 80.8 | Confident | 21 Ų | 21 | 69.2 Ų | 69.2 | 11% | 0.112 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 123.4 | 176.4 | -148.7 | -66.7 | 0 | 0 | 0 | 111.9 | H17 R21 R43 P1301 G1302 | H17-D19 IonicContact CE1-OD2 3.01Å; H17-D19 PolarHBondContact CE1-OD2 2.81Å; H17-D19 IonicContact NE2-OD2 3.44Å; D19-R21 PolarHBondContact OD1-N 3.25Å; D19-R43 VanDerWaalsContact OD2-CD 3.26Å; D19-R43 WeakPolarHBondContact OD2-CD 3.48Å; D19-P1301 VanDerWaalsContact CG-CB 3.48Å; D19-P1301 VanDerWaalsContact OD1-CA 3.31Å; D19-P1301 WeakPolarHBondContact OD1-CA 3.21Å; D19-P1301 WeakPolarHBondContact OD1-CB 3.31Å; D19-P1301 WeakPolarHBondContact OD2-CA 3.38Å; D19-P1301 WeakPolarHBondContact OD2-CB 3.37Å; D19-P1301 VanDerWaalsContact OD2-CG 3.26Å; D19-P1301 WeakPolarHBondContact OD2-CG 3.36Å; D19-G1302 PolarHBondContact OD1-N 3.08Å |
| 20 | R | 94.9 | Very high | 83.2 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 34% | 0.343 | 39% | 0.386 | S | S | . | . | trans | -145.8 | 32.2 | 176.5 | -56.1 | -74.1 | 178.5 | -99.6 | -0.9 | 111.4 | I18 S23 L25 D31 R43 L44 N47 | I18-R20 HydrophobicContact CG2-CG 3.95Å; R20-S23 VanDerWaalsContact C-OG 3.29Å; R20-S23 WeakPolarHBondContact O-CB 3.38Å; R20-S23 PolarHBondContact O-OG 2.9Å; R20-S23 VanDerWaalsContact O-OG 3.1Å; R20-L25 HydrophobicContact CB-CD1 3.63Å; R20-L25 HydrophobicContact CG-CD1 4.26Å; R20-D31 IonicContact CZ-OD2 3.02Å; R20-D31 IonicContact NE-OD2 2.62Å; R20-D31 IonicContact NH2-OD2 3.68Å; R20-D31 PolarHBondContact NH2-OD2 3.07Å; R20-R43 PolarHBondContact N-O 2.87Å; R20-L44 HydrophobicContact CB-CD2 3.91Å; R20-L44 HydrophobicContact CG-CD2 4.35Å; R20-N47 PolarHBondContact O-ND2 3.39Å | ||
| 21 | R | 96.3 | Very high | 85.3 | Confident | 33 Ų | 33 | 70.5 Ų | 70.5 | 13% | 0.125 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 158.8 | 174.5 | -12.8 | -179.1 | -82.1 | -171.3 | 3.6 | 110.9 | D19 S23 R43 D45 P1301 D1404 | D19-R21 PolarHBondContact OD1-N 3.25Å; R21-S23 PolarHBondContact O-N 3.47Å; R21-S23 PolarHBondContact O-OG 3.32Å; R21-R43 HydrophobicContact CG-CB 3.79Å; R21-D45 CarbonylContact C-O 3.56Å; R21-D45 WeakPolarHBondContact CA-O 3.37Å; R21-D45 HydrophobicContact CB-CB 3.96Å; R21-D45 VanDerWaalsContact CB-O 3.29Å; R21-D45 WeakPolarHBondContact CB-O 3.46Å; R21-D45 WeakPolarHBondContact CD-OD2 3.38Å; R21-D45 HydrophobicContact CG-CB 4.23Å; R21-D45 WeakPolarHBondContact CG-OD2 3.37Å; R21-P1301 HydrophobicContact CG-CB 4.19Å; R21-D1404 HydrophobicContact CB-CB 4.27Å; R21-D1404 WeakPolarHBondContact CB-OD2 3.48Å; R21-D1404 WeakPolarHBondContact CG-OD2 3.28Å; R21-D1404 IonicContact CZ-OD2 3.65Å; R21-D1404 VanDerWaalsContact NE-CB 3.29Å; R21-D1404 IonicContact NE-OD2 2.9Å; R21-D1404 PolarHBondContact NE-OD2 3.31Å |
| 22 | H | 93.7 | Very high | 87.8 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 2% | 0.023 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 48.6 | 19.3 | -174 | -57.9 | -109.8 | 0 | 0 | 0 | 115.8 | K24 D45 A46 R1304 K1366 G1368 D1369 D1404 | H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.13Å; H22-D45 PolarHBondContact N-O 2.86Å; H22-A46 VanDerWaalsContact CA-O 3.31Å; H22-A46 WeakPolarHBondContact CA-O 3.29Å; H22-A46 HydrophobicContact CB-CB 4.33Å; H22-A46 VanDerWaalsContact CD2-CB 3.47Å; H22-A46 WeakPolarHBondContact CD2-CB 3.46Å; H22-A46 WeakPolarHBondContact CE1-CB 3.37Å; H22-A46 VanDerWaalsContact CG-CB 3.5Å; H22-A46 WeakPolarHBondContact ND1-CB 3.37Å; H22-A46 WeakPolarHBondContact NE2-CB 3.43Å; H22-R1304 PolarHBondContact O-NH2 3.16Å; H22-K1366 HydrophobicContact CB-CD 4.49Å; H22-G1368 PolarHBondContact CE1-O 3.23Å; H22-D1369 WeakPolarHBondContact CB-OD1 3.47Å; H22-D1369 IonicContact CG-OD1 3.05Å; H22-D1369 IonicContact ND1-OD1 3.36Å; H22-D1369 PolarHBondContact ND1-OD1 3.06Å; H22-D1404 WeakPolarHBondContact CB-OD1 3.31Å; H22-D1404 WeakPolarHBondContact CD2-CB 3.46Å; H22-D1404 IonicContact CD2-OD1 2.57Å; H22-D1404 PolarHBondContact CD2-OD1 2.85Å; H22-D1404 IonicContact CG-OD1 2.78Å |
| 23 | S | 94.4 | Very high | 89.7 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -89.7 | 11.8 | -167.8 | -66.6 | 0 | 0 | 0 | 0 | 114.6 | R20 R21 L25 N47 | R20-S23 VanDerWaalsContact C-OG 3.29Å; R20-S23 WeakPolarHBondContact O-CB 3.38Å; R20-S23 PolarHBondContact O-OG 2.9Å; R20-S23 VanDerWaalsContact O-OG 3.1Å; R21-S23 PolarHBondContact O-N 3.47Å; R21-S23 PolarHBondContact O-OG 3.32Å; S23-L25 VanDerWaalsContact C-N 3.27Å; S23-L25 PolarHBondContact O-N 3.17Å; S23-N47 VanDerWaalsContact C-OD1 3.3Å; S23-N47 WeakPolarHBondContact CA-OD1 3.15Å; S23-N47 PolarHBondContact N-OD1 2.81Å |
| 24 | K | 93 | Very high | 91.3 | Very high | 66 Ų | 66 | 62.2 Ų | 62.2 | 29% | 0.287 | 30% | 0.297 | S | S | . | . | trans | 59 | 34.7 | 176.8 | -49.7 | -105.8 | -177.4 | 173 | 0 | 113 | H22 N47 G1363 L1365 K1366 | H22-K24 VanDerWaalsContact C-N 3.32Å; H22-K24 PolarHBondContact O-N 3.13Å; K24-N47 PolarHBondContact N-OD1 2.82Å; K24-G1363 WeakPolarHBondContact CD-O 3.22Å; K24-G1363 WeakPolarHBondContact CE-O 3.5Å; K24-G1363 VanDerWaalsContact CG-O 3.3Å; K24-G1363 WeakPolarHBondContact CG-O 3.47Å; K24-G1363 PolarHBondContact NZ-O 2.8Å; K24-L1365 WeakPolarHBondContact CE-O 3.48Å; K24-L1365 PolarHBondContact NZ-O 2.85Å; K24-K1366 HydrophobicContact CD-CD 4.47Å; K24-K1366 HydrophobicContact CD-CG 4.06Å | ||
| 25 | L | 94.6 | Very high | 92 | Very high | 37 Ų | 37 | 58.2 Ų | 58.2 | 19% | 0.194 | 28% | 0.28 | C | S | . | . | trans | -83.8 | 117.5 | -175.1 | -59.6 | 175 | 0 | 0 | 0 | 111.7 | R20 S23 Q27 P29 N47 Q48 I49 | R20-L25 HydrophobicContact CB-CD1 3.63Å; R20-L25 HydrophobicContact CG-CD1 4.26Å; S23-L25 VanDerWaalsContact C-N 3.27Å; S23-L25 PolarHBondContact O-N 3.17Å; L25-Q27 VanDerWaalsContact C-N 3.31Å; L25-P29 HydrophobicContact CD1-CG 3.49Å; L25-P29 VanDerWaalsContact CD1-CG 3.49Å; L25-P29 HydrophobicContact CD2-CG 4.06Å; L25-P29 HydrophobicContact CG-CG 4.36Å; L25-N47 HydrophobicContact CB-CB 4.13Å; L25-N47 WeakPolarHBondContact CB-OD1 3.34Å; L25-N47 WeakPolarHBondContact CG-OD1 3.22Å; L25-N47 PolarHBondContact N-OD1 2.76Å; L25-Q48 CarbonylContact O-C 3.54Å; L25-Q48 VanDerWaalsContact O-C 3.24Å; L25-Q48 WeakPolarHBondContact O-CA 3.47Å; L25-Q48 PolarHBondContact O-N 3.28Å; L25-I49 HydrophobicContact CB-CG1 4.34Å; L25-I49 WeakPolarHBondContact O-CG1 3.25Å; L25-I49 PolarHBondContact O-N 2.88Å | ||
| 26 | E | 95.5 | Very high | 92.2 | Very high | 138 Ų | 138 | 60.7 Ų | 60.7 | 65% | 0.645 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -75.2 | -19.9 | 171.1 | -62.7 | -179.5 | -172.9 | 0 | 0 | 113.1 | Q48 | E26-Q48 WeakPolarHBondContact CA-O 3.33Š|
| 27 | Q | 94.6 | Very high | 92.1 | Very high | 148 Ų | 148 | 65.5 Ų | 65.5 | 69% | 0.692 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -146.8 | 156.3 | -175.1 | -62.6 | -177.6 | 24.3 | 0 | 0 | 110.6 | L25 P29 | L25-Q27 VanDerWaalsContact C-N 3.31Å; Q27-P29 WeakPolarHBondContact O-CD 3.29Å |
| 28 | V | 95.1 | Very high | 92 | Very high | 12 Ų | 12 | 64.5 Ų | 64.5 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | trans | -62.1 | 124.8 | 174.4 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | V32 L44 I49 L52 P53 F56 | V28-V32 HydrophobicContact CG1-CB 4.12Å; V28-V32 HydrophobicContact CG1-CG1 4.09Å; V28-L44 HydrophobicContact CG1-CD1 4.35Å; V28-L44 HydrophobicContact CG2-CD1 4.47Å; V28-I49 HydrophobicContact CG2-CD1 4.35Å; V28-I49 HydrophobicContact CG2-CG2 3.98Å; V28-L52 HydrophobicContact CG2-CD2 3.74Å; V28-P53 HydrophobicContact CB-CG 4.12Å; V28-P53 HydrophobicContact CG2-CG 4.43Å; V28-F56 HydrophobicContact CG1-CD2 3.78Å; V28-F56 HydrophobicContact CG1-CE2 3.92Å; V28-F56 HydrophobicContact CG2-CD2 4.5Å | ||
| 29 | P | 91.5 | Very high | 92 | Very high | 21 Ų | 21 | 64.3 Ų | 64.3 | 14% | 0.136 | 30% | 0.295 | C | S | . | . | trans | -60.9 | 145.9 | -178.4 | -30 | 39.1 | 0 | 0 | 0 | 115.6 | L25 Q27 D31 V32 I33 | L25-P29 HydrophobicContact CD1-CG 3.49Å; L25-P29 VanDerWaalsContact CD1-CG 3.49Å; L25-P29 HydrophobicContact CD2-CG 4.06Å; L25-P29 HydrophobicContact CG-CG 4.36Å; Q27-P29 WeakPolarHBondContact O-CD 3.29Å; P29-D31 WeakPolarHBondContact CB-OD1 2.93Å; P29-D31 PolarHBondContact O-N 3.27Å; P29-V32 HydrophobicContact CB-CG2 4.27Å; P29-V32 WeakPolarHBondContact O-CB 3.41Å; P29-V32 PolarHBondContact O-N 2.74Å; P29-I33 PolarHBondContact O-N 3.12Å | ||
| 30 | D | 90.2 | Very high | 92.1 | Very high | 140 Ų | 140 | 65.6 Ų | 65.6 | 75% | 0.749 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.6 | -26.6 | 177.7 | -90.1 | -30.1 | 0 | 0 | 0 | 113.6 | I33 R34 | D30-I33 PolarHBondContact O-N 3.24Å; D30-R34 VanDerWaalsContact O-CB 3.25Å; D30-R34 WeakPolarHBondContact O-CB 3.27Å; D30-R34 PolarHBondContact O-N 3.16Å |
| 31 | D | 87.5 | Confident | 92.2 | Very high | 55 Ų | 55 | 64 Ų | 64 | 29% | 0.294 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -71.7 | -33.3 | 178.2 | 64.1 | -24.9 | 0 | 0 | 0 | 112.5 | R20 P29 R34 N35 | R20-D31 IonicContact CZ-OD2 3.02Å; R20-D31 IonicContact NE-OD2 2.62Å; R20-D31 IonicContact NH2-OD2 3.68Å; R20-D31 PolarHBondContact NH2-OD2 3.07Å; P29-D31 WeakPolarHBondContact CB-OD1 2.93Å; P29-D31 PolarHBondContact O-N 3.27Å; D31-R34 PolarHBondContact O-N 2.9Å; D31-N35 PolarHBondContact O-N 3.33Å; D31-N35 PolarHBondContact O-ND2 3.19Å; D31-N35 VanDerWaalsContact O-ND2 3.15Å |
| 32 | V | 91.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -54.5 | 166.8 | 177.5 | 0 | 0 | 0 | 0 | 109.9 | I18 V28 P29 R34 N35 L39 L44 F56 L59 | I18-V32 HydrophobicContact CD1-CB 4.32Å; I18-V32 HydrophobicContact CD1-CG2 3.96Å; I18-V32 HydrophobicContact CG2-CG2 3.93Å; V28-V32 HydrophobicContact CG1-CB 4.12Å; V28-V32 HydrophobicContact CG1-CG1 4.09Å; P29-V32 HydrophobicContact CB-CG2 4.27Å; P29-V32 WeakPolarHBondContact O-CB 3.41Å; P29-V32 PolarHBondContact O-N 2.74Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 2.76Å; V32-N35 PolarHBondContact O-N 2.74Å; V32-N35 VanDerWaalsContact O-N 3.14Å; V32-L39 HydrophobicContact CG1-CD2 3.87Å; V32-L44 HydrophobicContact CG2-CD2 4.49Å; V32-F56 HydrophobicContact CG1-CD2 4.19Å; V32-F56 HydrophobicContact CG1-CE2 3.85Å; V32-L59 HydrophobicContact CG1-CD1 3.92Å; V32-L59 HydrophobicContact CG1-CD2 4.47Å; V32-L59 VanDerWaalsContact O-CD2 3.23Å; V32-L59 WeakPolarHBondContact O-CD2 3.22Å |
| 33 | I | 90.4 | Very high | 92.4 | Very high | 35 Ų | 35 | 63.6 Ų | 63.6 | 18% | 0.179 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.7 | -34.4 | -178.4 | -57.8 | 170.2 | 0 | 0 | 0 | 111.3 | P29 D30 N35 F36 P53 N55 | P29-I33 PolarHBondContact O-N 3.12Å; D30-I33 PolarHBondContact O-N 3.24Å; I33-N35 VanDerWaalsContact C-N 3.3Å; I33-N35 PolarHBondContact O-N 3.29Å; I33-F36 WeakPolarHBondContact O-CD1 3.48Å; I33-P53 HydrophobicContact CD1-CG 3.91Å; I33-N55 HydrophobicContact CG2-CB 3.85Å |
| 34 | R | 89.2 | Confident | 92.6 | Very high | 181 Ų | 181 | 61.7 Ų | 61.7 | 68% | 0.683 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -66 | -30.2 | 178 | -176.1 | 177.1 | 173.7 | -164.2 | -4.3 | 113 | D30 D31 V32 F36 | D30-R34 VanDerWaalsContact O-CB 3.25Å; D30-R34 WeakPolarHBondContact O-CB 3.27Å; D30-R34 PolarHBondContact O-N 3.16Å; D31-R34 PolarHBondContact O-N 2.9Å; V32-R34 VanDerWaalsContact C-N 3.27Å; V32-R34 PolarHBondContact O-N 2.76Å; R34-F36 VanDerWaalsContact C-N 3.31Å; R34-F36 PolarHBondContact O-N 3.42Å |
| 35 | N | 86.1 | Confident | 92.8 | Very high | 31 Ų | 31 | 58.7 Ų | 58.7 | 17% | 0.166 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 18 | -177.2 | -68.9 | -29.9 | 0 | 0 | 0 | 114.2 | I18 D31 V32 I33 R37 T38 L39 | I18-N35 HydrophobicContact CD1-CB 4.37Å; D31-N35 PolarHBondContact O-N 3.33Å; D31-N35 PolarHBondContact O-ND2 3.19Å; D31-N35 VanDerWaalsContact O-ND2 3.15Å; V32-N35 PolarHBondContact O-N 2.74Å; V32-N35 VanDerWaalsContact O-N 3.14Å; I33-N35 VanDerWaalsContact C-N 3.3Å; I33-N35 PolarHBondContact O-N 3.29Å; N35-R37 PolarHBondContact O-N 3.3Å; N35-T38 PolarHBondContact O-N 3.49Å; N35-T38 PolarHBondContact O-OG1 2.93Å; N35-L39 HydrophobicContact CB-CB 4.38Å; N35-L39 PolarHBondContact O-N 3.14Å; N35-L39 VanDerWaalsContact O-N 3.07Å |
| 36 | F | 86 | Confident | 92.9 | Very high | 87 Ų | 87 | 57 Ų | 57 | 38% | 0.382 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | -11.8 | -179.1 | 76.7 | -83.7 | 0 | 0 | 0 | 118.1 | I33 R34 R58 L59 | I33-F36 WeakPolarHBondContact O-CD1 3.48Å; R34-F36 VanDerWaalsContact C-N 3.31Å; R34-F36 PolarHBondContact O-N 3.42Å; F36-R58 HydrophobicContact CB-CB 4.28Å; F36-L59 VanDerWaalsContact CA-CD2 3.49Å; F36-L59 HydrophobicContact CB-CD2 4.07Å |
| 37 | R | 87.6 | Confident | 93 | Very high | 186 Ų | 186 | 50.6 Ų | 50.6 | 70% | 0.702 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | -18.1 | 177.8 | -64.6 | -173.4 | 177.4 | -175.6 | -1.9 | 114.1 | N35 R61 | N35-R37 PolarHBondContact O-N 3.3Å; R37-R61 PolarHBondContact O-NE 2.89Å |
| 38 | T | 91.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 46.9 Ų | 46.9 | 14% | 0.135 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129 | -27.9 | -166.9 | 56.7 | 0 | 0 | 0 | 0 | 113.4 | H14 T15 D16 N35 E40 | H14-T38 VanDerWaalsContact ND1-CG2 3.29Å; H14-T38 WeakPolarHBondContact ND1-CG2 3.37Å; T15-T38 PolarHBondContact N-OG1 3.19Å; T15-T38 CarbonylContact O-C 3.56Å; T15-T38 VanDerWaalsContact O-C 3.27Å; T15-T38 VanDerWaalsContact O-CB 3.32Å; T15-T38 WeakPolarHBondContact O-CB 3.19Å; T15-T38 PolarHBondContact O-OG1 2.97Å; D16-T38 WeakPolarHBondContact CA-O 3.14Å; N35-T38 PolarHBondContact O-N 3.49Å; N35-T38 PolarHBondContact O-OG1 2.93Å; T38-E40 WeakPolarHBondContact O-CG 3.27Å; T38-E40 PolarHBondContact O-N 3.4Å |
| 39 | L | 94 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | trans | -65.3 | 122.9 | -172.9 | -163.7 | 67.3 | 0 | 0 | 0 | 112.6 | T15 I18 V32 N35 E41 C42 L59 R61 I62 | T15-L39 HydrophobicContact CG2-CD1 4.44Å; T15-L39 WeakPolarHBondContact O-CA 3.38Å; T15-L39 PolarHBondContact O-N 2.95Å; I18-L39 HydrophobicContact CB-CD1 3.84Å; I18-L39 HydrophobicContact CD1-CD1 3.58Å; I18-L39 HydrophobicContact CD1-CD2 3.87Å; I18-L39 HydrophobicContact CD1-CG 4.39Å; I18-L39 HydrophobicContact CG1-CD1 3.47Å; I18-L39 VanDerWaalsContact CG1-CD1 3.47Å; I18-L39 HydrophobicContact CG1-CD2 4.5Å; V32-L39 HydrophobicContact CG1-CD2 3.87Å; N35-L39 HydrophobicContact CB-CB 4.38Å; N35-L39 PolarHBondContact O-N 3.14Å; N35-L39 VanDerWaalsContact O-N 3.07Å; L39-E41 WeakPolarHBondContact CD1-O 3.5Å; L39-C42 HydrophobicContact CD2-CB 4.02Å; L39-L59 HydrophobicContact CB-CD2 4.1Å; L39-L59 HydrophobicContact CD2-CD1 4.3Å; L39-L59 HydrophobicContact CD2-CD2 3.78Å; L39-R61 CarbonylContact O-C 3.46Å; L39-R61 WeakPolarHBondContact O-CB 3.24Å; L39-I62 HydrophobicContact CB-CD1 4.31Å; L39-I62 HydrophobicContact CD2-CD1 3.97Å; L39-I62 HydrophobicContact CG-CD1 3.84Å; L39-I62 PolarHBondContact O-N 2.83Å | ||
| 40 | E | 96 | Very high | 93.4 | Very high | 48 Ų | 48 | 51.1 Ų | 51.1 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | trans | -114.5 | -31.5 | 178.4 | -44.3 | -152.3 | 163.7 | 0 | 0 | 112.1 | D16 T38 R61 I62 R63 L64 | D16-E40 HydrophobicContact CB-CG 4.34Å; D16-E40 PolarHBondContact O-N 2.94Å; T38-E40 WeakPolarHBondContact O-CG 3.27Å; T38-E40 PolarHBondContact O-N 3.4Å; E40-R61 WeakPolarHBondContact CA-O 3.3Å; E40-R61 HydrophobicContact CG-CB 4.01Å; E40-R61 IonicContact OE1-NH1 3.49Å; E40-I62 CarbonylContact O-C 3.59Å; E40-I62 WeakPolarHBondContact O-CA 3.11Å; E40-R63 PolarHBondContact O-N 3.42Å; E40-L64 PolarHBondContact O-N 2.89Å; E40-L64 VanDerWaalsContact O-N 3.11Å | ||
| 41 | E | 97.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 51.5 Ų | 51.5 | 28% | 0.276 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 127.2 | 179 | -56.9 | -173 | -160.7 | 0 | 0 | 109.7 | D16 H17 I18 L39 L64 | D16-E41 PolarHBondContact O-N 2.72Å; H17-E41 CarbonylContact C-O 3.58Å; H17-E41 WeakPolarHBondContact CA-O 3.37Å; H17-E41 HydrophobicContact CB-CB 4.36Å; H17-E41 IonicContact CD2-OE2 3.16Å; H17-E41 PolarHBondContact CD2-OE2 2.65Å; I18-E41 PolarHBondContact N-O 3.2Å; L39-E41 WeakPolarHBondContact CD1-O 3.5Å; E41-L64 WeakPolarHBondContact CA-O 3.45Å; E41-L64 HydrophobicContact CB-CB 4.3Å; E41-L64 HydrophobicContact CB-CD2 4.5Å; E41-L64 HydrophobicContact CG-CB 4.03Å |
| 42 | C | 97 | Very high | 94 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 111.9 | -179.3 | -170 | 0 | 0 | 0 | 0 | 110.7 | I18 L39 I62 L64 L65 T66 | I18-C42 WeakPolarHBondContact O-CA 3.19Å; L39-C42 HydrophobicContact CD2-CB 4.02Å; C42-I62 HydrophobicContact CB-CD1 3.89Å; C42-L64 PolarHBondContact N-O 3.45Å; C42-L65 HydrophobicContact CB-CD1 4.22Å; C42-L65 WeakPolarHBondContact O-CA 3.37Å; C42-T66 PolarHBondContact O-N 2.83Å; C42-T66 VanDerWaalsContact O-N 3.08Å |
| 43 | R | 97.8 | Very high | 94.1 | Very high | 28 Ų | 28 | 51 Ų | 51 | 11% | 0.106 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 115.5 | -178.2 | -63.3 | -179.2 | 164.8 | 157.1 | -4 | 110.9 | H17 I18 D19 R20 R21 L64 T66 | H17-R43 PolarHBondContact NE2-NH1 2.88Å; I18-R43 PolarHBondContact O-N 2.72Å; D19-R43 VanDerWaalsContact OD2-CD 3.26Å; D19-R43 WeakPolarHBondContact OD2-CD 3.48Å; R20-R43 PolarHBondContact N-O 2.87Å; R21-R43 HydrophobicContact CG-CB 3.79Å; R43-L64 HydrophobicContact CG-CD2 3.83Å; R43-T66 WeakPolarHBondContact CA-OG1 3.33Å; R43-T66 WeakPolarHBondContact CG-OG1 3.5Å |
| 44 | L | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -130.7 | 20.6 | -170.4 | -64.3 | -179.8 | 0 | 0 | 0 | 112.8 | R20 V28 V32 N47 I49 F56 T66 L67 N70 | R20-L44 HydrophobicContact CB-CD2 3.91Å; R20-L44 HydrophobicContact CG-CD2 4.35Å; V28-L44 HydrophobicContact CG1-CD1 4.35Å; V28-L44 HydrophobicContact CG2-CD1 4.47Å; V32-L44 HydrophobicContact CG2-CD2 4.49Å; L44-N47 VanDerWaalsContact C-ND2 3.33Å; L44-N47 PolarHBondContact O-ND2 2.9Å; L44-I49 HydrophobicContact CB-CD1 4.15Å; L44-I49 HydrophobicContact CD1-CD1 4.28Å; L44-F56 HydrophobicContact CD1-CE2 4.29Å; L44-T66 PolarHBondContact N-O 2.87Å; L44-L67 HydrophobicContact CB-CD2 3.81Å; L44-L67 HydrophobicContact CD1-CD2 3.96Å; L44-L67 HydrophobicContact CG-CD2 4.49Å; L44-N70 PolarHBondContact O-ND2 2.96Å | ||
| 45 | D | 97.2 | Very high | 94.3 | Very high | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 24% | 0.243 | C | C | . | . | trans | -69 | 165.1 | -172.4 | -40.2 | -73.9 | 0 | 0 | 0 | 113.8 | R21 H22 N47 T66 L67 S68 | R21-D45 CarbonylContact C-O 3.56Å; R21-D45 WeakPolarHBondContact CA-O 3.37Å; R21-D45 HydrophobicContact CB-CB 3.96Å; R21-D45 VanDerWaalsContact CB-O 3.29Å; R21-D45 WeakPolarHBondContact CB-O 3.46Å; R21-D45 WeakPolarHBondContact CD-OD2 3.38Å; R21-D45 HydrophobicContact CG-CB 4.23Å; R21-D45 WeakPolarHBondContact CG-OD2 3.37Å; H22-D45 PolarHBondContact N-O 2.86Å; D45-N47 VanDerWaalsContact C-N 3.27Å; D45-N47 PolarHBondContact O-N 2.79Å; D45-N47 PolarHBondContact O-ND2 2.96Å; D45-N47 VanDerWaalsContact O-ND2 3.08Å; D45-T66 VanDerWaalsContact CG-OG1 3.28Å; D45-T66 WeakPolarHBondContact OD1-CA 3.16Å; D45-T66 WeakPolarHBondContact OD1-CB 3.15Å; D45-T66 PolarHBondContact OD1-OG1 2.99Å; D45-T66 WeakPolarHBondContact OD2-CB 3.28Å; D45-T66 PolarHBondContact OD2-OG1 2.69Å; D45-L67 PolarHBondContact OD1-N 2.77Å; D45-S68 CarbonylContact C-O 3.48Å; D45-S68 WeakPolarHBondContact CA-O 3.5Å; D45-S68 WeakPolarHBondContact CB-O 3.45Å; D45-S68 PolarHBondContact OD1-N 2.84Å; D45-S68 PolarHBondContact OD1-OG 2.84Å | ||
| 46 | A | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | S | Bend | trans | 50.7 | 44.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | H22 S68 D69 K1366 | H22-A46 VanDerWaalsContact CA-O 3.31Å; H22-A46 WeakPolarHBondContact CA-O 3.29Å; H22-A46 HydrophobicContact CB-CB 4.33Å; H22-A46 VanDerWaalsContact CD2-CB 3.47Å; H22-A46 WeakPolarHBondContact CD2-CB 3.46Å; H22-A46 WeakPolarHBondContact CE1-CB 3.37Å; H22-A46 VanDerWaalsContact CG-CB 3.5Å; H22-A46 WeakPolarHBondContact ND1-CB 3.37Å; H22-A46 WeakPolarHBondContact NE2-CB 3.43Å; A46-S68 PolarHBondContact N-O 3.07Å; A46-D69 CarbonylContact C-O 3.55Å; A46-D69 WeakPolarHBondContact CA-O 3.41Å; A46-D69 VanDerWaalsContact CA-OD2 3.31Å; A46-D69 WeakPolarHBondContact CA-OD2 3.43Å; A46-D69 HydrophobicContact CB-CB 4.19Å; A46-D69 VanDerWaalsContact CB-OD2 3.26Å; A46-D69 WeakPolarHBondContact CB-OD2 3.32Å; A46-D69 PolarHBondContact N-O 3.38Å; A46-K1366 WeakPolarHBondContact O-CD 3.41Å; A46-K1366 WeakPolarHBondContact O-CE 3.28Å; A46-K1366 PolarHBondContact O-NZ 2.95Å |
| 47 | N | 97.7 | Very high | 95 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.027 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -112.2 | -149.5 | -179.5 | -83.3 | -58.9 | 0 | 0 | 0 | 110.5 | R20 S23 K24 L25 L44 D45 I49 D69 N70 K1366 | R20-N47 PolarHBondContact O-ND2 3.39Å; S23-N47 VanDerWaalsContact C-OD1 3.3Å; S23-N47 WeakPolarHBondContact CA-OD1 3.15Å; S23-N47 PolarHBondContact N-OD1 2.81Å; K24-N47 PolarHBondContact N-OD1 2.82Å; L25-N47 HydrophobicContact CB-CB 4.13Å; L25-N47 WeakPolarHBondContact CB-OD1 3.34Å; L25-N47 WeakPolarHBondContact CG-OD1 3.22Å; L25-N47 PolarHBondContact N-OD1 2.76Å; L44-N47 VanDerWaalsContact C-ND2 3.33Å; L44-N47 PolarHBondContact O-ND2 2.9Å; D45-N47 VanDerWaalsContact C-N 3.27Å; D45-N47 PolarHBondContact O-N 2.79Å; D45-N47 PolarHBondContact O-ND2 2.96Å; D45-N47 VanDerWaalsContact O-ND2 3.08Å; N47-I49 HydrophobicContact CB-CD1 4.21Å; N47-I49 HydrophobicContact CB-CG1 4.04Å; N47-D69 PolarHBondContact N-O 3.18Å; N47-N70 VanDerWaalsContact C-OD1 3.32Å; N47-N70 WeakPolarHBondContact CA-OD1 3.49Å; N47-N70 WeakPolarHBondContact CB-OD1 3.28Å; N47-K1366 PolarHBondContact O-NZ 3.42Å; N47-K1366 VanDerWaalsContact O-NZ 3.1Å |
| 48 | Q | 96.9 | Very high | 95.3 | Very high | 70 Ų | 70 | 46.8 Ų | 46.8 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | trans | -140.9 | 29.5 | -179.9 | -64.7 | -176.6 | -68.5 | 0 | 0 | 109.2 | L25 E26 K50 N70 E71 | L25-Q48 CarbonylContact O-C 3.54Å; L25-Q48 VanDerWaalsContact O-C 3.24Å; L25-Q48 WeakPolarHBondContact O-CA 3.47Å; L25-Q48 PolarHBondContact O-N 3.28Å; E26-Q48 WeakPolarHBondContact CA-O 3.33Å; Q48-K50 PolarHBondContact O-N 3.15Å; Q48-N70 PolarHBondContact N-OD1 3.03Å; Q48-E71 VanDerWaalsContact CB-OE1 3.3Å; Q48-E71 WeakPolarHBondContact CB-OE1 3.39Å; Q48-E71 WeakPolarHBondContact CG-OE1 3.34Å | ||
| 49 | I | 97 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | trans | -77.2 | 117.7 | -171.7 | -58.9 | 173.5 | 0 | 0 | 0 | 108.7 | L25 V28 L44 N47 L52 N70 E71 L72 | L25-I49 HydrophobicContact CB-CG1 4.34Å; L25-I49 WeakPolarHBondContact O-CG1 3.25Å; L25-I49 PolarHBondContact O-N 2.88Å; V28-I49 HydrophobicContact CG2-CD1 4.35Å; V28-I49 HydrophobicContact CG2-CG2 3.98Å; L44-I49 HydrophobicContact CB-CD1 4.15Å; L44-I49 HydrophobicContact CD1-CD1 4.28Å; N47-I49 HydrophobicContact CB-CD1 4.21Å; N47-I49 HydrophobicContact CB-CG1 4.04Å; I49-L52 HydrophobicContact CG2-CD2 4.49Å; I49-N70 VanDerWaalsContact CB-OD1 3.3Å; I49-N70 WeakPolarHBondContact CB-OD1 3.47Å; I49-N70 WeakPolarHBondContact CG1-OD1 3.34Å; I49-N70 PolarHBondContact N-OD1 2.92Å; I49-E71 CarbonylContact O-C 3.27Å; I49-E71 VanDerWaalsContact O-C 3.3Å; I49-E71 PolarHBondContact O-N 2.8Å; I49-L72 HydrophobicContact CG2-CD2 4.13Å; I49-L72 WeakPolarHBondContact O-CD2 3.32Å; I49-L72 PolarHBondContact O-N 3.09Å | ||
| 50 | K | 95.7 | Very high | 95.2 | Very high | 121 Ų | 121 | 50.3 Ų | 50.3 | 53% | 0.526 | 23% | 0.227 | S | C | . | . | trans | -90.1 | -28.5 | -176.1 | -72.3 | 169.9 | 178.7 | 174.4 | 0 | 114.6 | Q48 E71 | Q48-K50 PolarHBondContact O-N 3.15Å; K50-E71 WeakPolarHBondContact CA-O 3.31Å; K50-E71 WeakPolarHBondContact CE-OE2 3.21Å; K50-E71 HydrophobicContact CG-CB 3.82Å; K50-E71 IonicContact NZ-OE2 3.99Å; K50-E71 PolarHBondContact NZ-OE2 2.92Å | ||
| 51 | E | 95.2 | Very high | 95.1 | Very high | 149 Ų | 149 | 53.5 Ų | 53.5 | 70% | 0.696 | 24% | 0.237 | S | C | * | . | trans | -151.6 | 151.1 | 178.2 | 58.9 | 165.8 | -157.2 | 0 | 0 | 112.4 | ||||
| 52 | L | 95.5 | Very high | 95 | Very high | 8 Ų | 8 | 50.7 Ų | 50.7 | 4% | 0.042 | 22% | 0.224 | C | C | . | . | trans | -91.6 | 119.9 | 171.6 | -60.7 | 178.4 | 0 | 0 | 0 | 110.1 | V28 I49 F56 F57 L67 L72 L75 P76 | V28-L52 HydrophobicContact CG2-CD2 3.74Å; I49-L52 HydrophobicContact CG2-CD2 4.49Å; L52-F56 HydrophobicContact CB-CD1 4.31Å; L52-F56 HydrophobicContact CD1-CD1 4.18Å; L52-F56 HydrophobicContact CD1-CE1 4.07Å; L52-F56 HydrophobicContact CD2-CD1 4.38Å; L52-F56 HydrophobicContact CD2-CE1 4.23Å; L52-F56 HydrophobicContact CD2-CZ 4.44Å; L52-F57 HydrophobicContact CB-CE2 4.2Å; L52-F57 HydrophobicContact CB-CZ 3.86Å; L52-F57 HydrophobicContact CD1-CE1 4.4Å; L52-F57 HydrophobicContact CD1-CZ 4.01Å; L52-L67 HydrophobicContact CD1-CD1 3.87Å; L52-L67 HydrophobicContact CD2-CD1 4.03Å; L52-L67 HydrophobicContact CD2-CD2 3.97Å; L52-L72 HydrophobicContact CD2-CD2 4.44Å; L52-L72 HydrophobicContact CG-CD2 4.23Å; L52-L75 HydrophobicContact CD1-CD1 4.19Å; L52-P76 HydrophobicContact CB-CG 4.33Å | ||
| 53 | P | 93.6 | Very high | 95.1 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 24% | 0.24 | 25% | 0.245 | C | C | . | . | trans | -69.3 | 147.6 | -175.2 | 27 | -33.2 | 0 | 0 | 0 | 111.5 | V28 I33 N55 F56 | V28-P53 HydrophobicContact CB-CG 4.12Å; V28-P53 HydrophobicContact CG2-CG 4.43Å; I33-P53 HydrophobicContact CD1-CG 3.91Å; P53-N55 PolarHBondContact O-N 2.94Å; P53-F56 HydrophobicContact CG-CB 4.28Å; P53-F56 WeakPolarHBondContact O-CB 3.4Å; P53-F56 PolarHBondContact O-N 2.84Å | ||
| 54 | K | 91.8 | Very high | 95.1 | Very high | 193 Ų | 193 | 55.8 Ų | 55.8 | 84% | 0.839 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.8 | -176.6 | -66.1 | -178.2 | -178.7 | 176.5 | 0 | 115.2 | ||
| 55 | N | 91.7 | Very high | 95.1 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 38% | 0.38 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -17.4 | 177.6 | -69.1 | -36.5 | 0 | 0 | 0 | 113.6 | I33 P53 F57 R58 | I33-N55 HydrophobicContact CG2-CB 3.85Å; P53-N55 PolarHBondContact O-N 2.94Å; N55-F57 VanDerWaalsContact C-N 3.29Å; N55-F57 PolarHBondContact O-N 3.13Å; N55-R58 VanDerWaalsContact O-CB 3.24Å; N55-R58 WeakPolarHBondContact O-CB 3.37Å; N55-R58 WeakPolarHBondContact O-CG 3.38Å; N55-R58 PolarHBondContact O-N 3.39Å; N55-R58 VanDerWaalsContact O-N 3.15Å; N55-R58 PolarHBondContact OD1-NE 2.76Å; N55-R58 PolarHBondContact OD1-NH2 2.61Å; N55-R58 VanDerWaalsContact OD1-NH2 3.15Å |
| 56 | F | 94.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -57.4 | -42.5 | 175.7 | -171.7 | -108.1 | 0 | 0 | 0 | 111.6 | V28 V32 L44 L52 P53 R58 L59 L65 F82 | V28-F56 HydrophobicContact CG1-CD2 3.78Å; V28-F56 HydrophobicContact CG1-CE2 3.92Å; V28-F56 HydrophobicContact CG2-CD2 4.5Å; V32-F56 HydrophobicContact CG1-CD2 4.19Å; V32-F56 HydrophobicContact CG1-CE2 3.85Å; L44-F56 HydrophobicContact CD1-CE2 4.29Å; L52-F56 HydrophobicContact CB-CD1 4.31Å; L52-F56 HydrophobicContact CD1-CD1 4.18Å; L52-F56 HydrophobicContact CD1-CE1 4.07Å; L52-F56 HydrophobicContact CD2-CD1 4.38Å; L52-F56 HydrophobicContact CD2-CE1 4.23Å; L52-F56 HydrophobicContact CD2-CZ 4.44Å; P53-F56 HydrophobicContact CG-CB 4.28Å; P53-F56 WeakPolarHBondContact O-CB 3.4Å; P53-F56 PolarHBondContact O-N 2.84Å; F56-R58 PolarHBondContact O-N 3.13Å; F56-L59 HydrophobicContact CD2-CD1 3.57Å; F56-L59 HydrophobicContact CE2-CD1 3.6Å; F56-L59 HydrophobicContact CG-CD1 4.08Å; F56-L59 HydrophobicContact CZ-CD1 4.1Å; F56-L59 WeakPolarHBondContact O-CB 3.45Å; F56-L59 VanDerWaalsContact O-CD1 3.27Å; F56-L59 WeakPolarHBondContact O-CD1 3.12Å; F56-L59 WeakPolarHBondContact O-CG 3.27Å; F56-L59 PolarHBondContact O-N 2.79Å; F56-L65 HydrophobicContact CE1-CD1 4.32Å; F56-L65 HydrophobicContact CE1-CD2 3.89Å; F56-L65 HydrophobicContact CZ-CD1 3.77Å; F56-L65 HydrophobicContact CZ-CD2 4.18Å; F56-F82 HydrophobicContact CD1-CE2 4.25Å; F56-F82 AromaticContact CD1-CZ 3.9Å; F56-F82 HydrophobicContact CD1-CZ 3.9Å; F56-F82 AromaticContact CE1-CE2 3.97Å; F56-F82 HydrophobicContact CE1-CE2 3.97Å; F56-F82 AromaticContact CE1-CZ 3.93Å; F56-F82 HydrophobicContact CE1-CZ 3.93Å |
| 57 | F | 93.8 | Very high | 95.2 | Very high | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.075 | 25% | 0.245 | C | C | . | . | G | 310 helix | trans | -69.7 | 11.5 | 178.7 | -51.5 | -71.9 | 0 | 0 | 0 | 114.6 | L52 N55 K60 P76 G78 I79 S81 F82 | L52-F57 HydrophobicContact CB-CE2 4.2Å; L52-F57 HydrophobicContact CB-CZ 3.86Å; L52-F57 HydrophobicContact CD1-CE1 4.4Å; L52-F57 HydrophobicContact CD1-CZ 4.01Å; N55-F57 VanDerWaalsContact C-N 3.29Å; N55-F57 PolarHBondContact O-N 3.13Å; F57-K60 WeakPolarHBondContact O-CE 3.28Å; F57-K60 PolarHBondContact O-NZ 3.41Å; F57-P76 HydrophobicContact CE2-CB 3.83Å; F57-P76 HydrophobicContact CE2-CG 4.05Å; F57-P76 HydrophobicContact CZ-CB 3.77Å; F57-P76 HydrophobicContact CZ-CG 3.85Å; F57-G78 WeakPolarHBondContact CD1-O 3.34Å; F57-I79 HydrophobicContact CE1-CB 4.45Å; F57-S81 PolarHBondContact O-OG 3.06Å; F57-F82 HydrophobicContact CD1-CE1 4.48Å; F57-F82 AromaticContact CD1-CE2 3.96Å; F57-F82 HydrophobicContact CD1-CE2 3.96Å; F57-F82 AromaticContact CD1-CZ 3.83Å; F57-F82 HydrophobicContact CD1-CZ 3.83Å; F57-F82 HydrophobicContact CE1-CE2 4.28Å; F57-F82 HydrophobicContact CE1-CZ 4.48Å |
| 58 | R | 92.4 | Very high | 95.2 | Very high | 150 Ų | 150 | 55.7 Ų | 55.7 | 57% | 0.566 | 24% | 0.244 | S | C | * | . | G | 310 helix | trans | -89.3 | -11.6 | 167.1 | -61.2 | 179.3 | 177.8 | -172.2 | 1.1 | 113.4 | F36 N55 F56 K60 | F36-R58 HydrophobicContact CB-CB 4.28Å; N55-R58 VanDerWaalsContact O-CB 3.24Å; N55-R58 WeakPolarHBondContact O-CB 3.37Å; N55-R58 WeakPolarHBondContact O-CG 3.38Å; N55-R58 PolarHBondContact O-N 3.39Å; N55-R58 VanDerWaalsContact O-N 3.15Å; N55-R58 PolarHBondContact OD1-NE 2.76Å; N55-R58 PolarHBondContact OD1-NH2 2.61Å; N55-R58 VanDerWaalsContact OD1-NH2 3.15Å; F56-R58 PolarHBondContact O-N 3.13Å; R58-K60 PolarHBondContact O-N 2.85Å |
| 59 | L | 93.4 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | trans | -71 | 70.6 | 177.8 | -56.1 | 159.4 | 0 | 0 | 0 | 110.6 | V32 F36 L39 F56 R61 I62 F82 | V32-L59 HydrophobicContact CG1-CD1 3.92Å; V32-L59 HydrophobicContact CG1-CD2 4.47Å; V32-L59 VanDerWaalsContact O-CD2 3.23Å; V32-L59 WeakPolarHBondContact O-CD2 3.22Å; F36-L59 VanDerWaalsContact CA-CD2 3.49Å; F36-L59 HydrophobicContact CB-CD2 4.07Å; L39-L59 HydrophobicContact CB-CD2 4.1Å; L39-L59 HydrophobicContact CD2-CD1 4.3Å; L39-L59 HydrophobicContact CD2-CD2 3.78Å; F56-L59 HydrophobicContact CD2-CD1 3.57Å; F56-L59 HydrophobicContact CE2-CD1 3.6Å; F56-L59 HydrophobicContact CG-CD1 4.08Å; F56-L59 HydrophobicContact CZ-CD1 4.1Å; F56-L59 WeakPolarHBondContact O-CB 3.45Å; F56-L59 VanDerWaalsContact O-CD1 3.27Å; F56-L59 WeakPolarHBondContact O-CD1 3.12Å; F56-L59 WeakPolarHBondContact O-CG 3.27Å; F56-L59 PolarHBondContact O-N 2.79Å; L59-R61 PolarHBondContact O-N 2.83Å; L59-I62 HydrophobicContact CB-CD1 4.15Å; L59-I62 HydrophobicContact CB-CG1 3.5Å; L59-I62 HydrophobicContact CD1-CD1 4.32Å; L59-I62 HydrophobicContact CD1-CG1 4.27Å; L59-I62 HydrophobicContact CG-CG1 4.48Å; L59-I62 WeakPolarHBondContact O-CG1 3.32Å; L59-I62 PolarHBondContact O-N 3.11Å; L59-F82 HydrophobicContact CB-CE1 3.97Å; L59-F82 HydrophobicContact CB-CZ 4.43Å; L59-F82 VanDerWaalsContact O-CD1 3.31Å; L59-F82 WeakPolarHBondContact O-CD1 3.5Å; L59-F82 VanDerWaalsContact O-CE1 3.28Å; L59-F82 WeakPolarHBondContact O-CE1 3.32Å | ||
| 60 | K | 90.9 | Very high | 95.2 | Very high | 96 Ų | 96 | 54 Ų | 54 | 42% | 0.417 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -6.7 | -168.6 | -65.8 | -45.4 | -169.3 | -167.5 | 0 | 116.3 | F57 R58 S81 N84 | F57-K60 WeakPolarHBondContact O-CE 3.28Å; F57-K60 PolarHBondContact O-NZ 3.41Å; R58-K60 PolarHBondContact O-N 2.85Å; K60-S81 WeakPolarHBondContact CD-O 3.35Å; K60-S81 PolarHBondContact NZ-O 3.18Å; K60-S81 PolarHBondContact NZ-OG 3.05Å; K60-N84 PolarHBondContact O-ND2 2.79Å |
| 61 | R | 93.9 | Very high | 95.3 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 43% | 0.434 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -0.1 | -179.8 | -65.3 | -172.9 | 172.8 | -156.3 | -2.8 | 114.1 | R37 L39 E40 L59 R63 | R37-R61 PolarHBondContact O-NE 2.89Å; L39-R61 CarbonylContact O-C 3.46Å; L39-R61 WeakPolarHBondContact O-CB 3.24Å; E40-R61 WeakPolarHBondContact CA-O 3.3Å; E40-R61 HydrophobicContact CG-CB 4.01Å; E40-R61 IonicContact OE1-NH1 3.49Å; L59-R61 PolarHBondContact O-N 2.83Å; R61-R63 WeakPolarHBondContact O-CG 3.46Å; R61-R63 PolarHBondContact O-N 3.22Å |
| 62 | I | 96.2 | Very high | 95.3 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -56 | 126.4 | 178.8 | -64.6 | -70.5 | 0 | 0 | 0 | 110.1 | L39 E40 C42 L59 L65 F82 N84 L85 | L39-I62 HydrophobicContact CB-CD1 4.31Å; L39-I62 HydrophobicContact CD2-CD1 3.97Å; L39-I62 HydrophobicContact CG-CD1 3.84Å; L39-I62 PolarHBondContact O-N 2.83Å; E40-I62 CarbonylContact O-C 3.59Å; E40-I62 WeakPolarHBondContact O-CA 3.11Å; C42-I62 HydrophobicContact CB-CD1 3.89Å; L59-I62 HydrophobicContact CB-CD1 4.15Å; L59-I62 HydrophobicContact CB-CG1 3.5Å; L59-I62 HydrophobicContact CD1-CD1 4.32Å; L59-I62 HydrophobicContact CD1-CG1 4.27Å; L59-I62 HydrophobicContact CG-CG1 4.48Å; L59-I62 WeakPolarHBondContact O-CG1 3.32Å; L59-I62 PolarHBondContact O-N 3.11Å; I62-L65 HydrophobicContact CG2-CB 3.89Å; I62-F82 HydrophobicContact CB-CD1 4.36Å; I62-F82 HydrophobicContact CB-CG 4.39Å; I62-F82 HydrophobicContact CG1-CE1 4.38Å; I62-N84 CarbonylContact O-C 3.48Å; I62-N84 VanDerWaalsContact O-C 3.25Å; I62-L85 HydrophobicContact CG2-CD1 3.68Å; I62-L85 WeakPolarHBondContact O-CA 3.4Å; I62-L85 PolarHBondContact O-N 3.33Å | ||
| 63 | R | 97.6 | Very high | 95.3 | Very high | 118 Ų | 118 | 47.4 Ų | 47.4 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -117.3 | -35.3 | 176.4 | -67.4 | 176.8 | 65.2 | -142.6 | -8.7 | 110.9 | E40 R61 N84 V86 E87 | E40-R63 PolarHBondContact O-N 3.42Å; R61-R63 WeakPolarHBondContact O-CG 3.46Å; R61-R63 PolarHBondContact O-N 3.22Å; R63-N84 WeakPolarHBondContact CA-O 3.33Å; R63-N84 HydrophobicContact CG-CB 4.38Å; R63-N84 WeakPolarHBondContact CG-O 3.21Å; R63-V86 HydrophobicContact CB-CG2 4.35Å; R63-V86 WeakPolarHBondContact O-CA 3.49Å; R63-V86 WeakPolarHBondContact O-CB 3.25Å; R63-V86 PolarHBondContact O-N 3.23Å; R63-E87 PolarHBondContact O-N 3.3Å |
| 64 | L | 98 | Very high | 95.4 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 125.4 | 174.3 | -177 | 153.3 | 0 | 0 | 0 | 109.3 | E40 E41 C42 R43 T66 E87 | E40-L64 PolarHBondContact O-N 2.89Å; E40-L64 VanDerWaalsContact O-N 3.11Å; E41-L64 WeakPolarHBondContact CA-O 3.45Å; E41-L64 HydrophobicContact CB-CB 4.3Å; E41-L64 HydrophobicContact CB-CD2 4.5Å; E41-L64 HydrophobicContact CG-CB 4.03Å; C42-L64 PolarHBondContact N-O 3.45Å; R43-L64 HydrophobicContact CG-CD2 3.83Å; L64-T66 HydrophobicContact CD2-CG2 3.81Å; L64-T66 HydrophobicContact CG-CG2 4.39Å; L64-E87 HydrophobicContact CB-CB 4.5Å; L64-E87 HydrophobicContact CD1-CB 4.49Å; L64-E87 WeakPolarHBondContact CD1-OE2 3.45Å; L64-E87 HydrophobicContact CG-CB 4.24Å; L64-E87 HydrophobicContact CG-CG 4.4Å |
| 65 | L | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 115.2 | 175.2 | 174.4 | 57.8 | 0 | 0 | 0 | 109.7 | C42 F56 I62 L67 I79 F82 L85 E87 L88 D89 | C42-L65 HydrophobicContact CB-CD1 4.22Å; C42-L65 WeakPolarHBondContact O-CA 3.37Å; F56-L65 HydrophobicContact CE1-CD1 4.32Å; F56-L65 HydrophobicContact CE1-CD2 3.89Å; F56-L65 HydrophobicContact CZ-CD1 3.77Å; F56-L65 HydrophobicContact CZ-CD2 4.18Å; I62-L65 HydrophobicContact CG2-CB 3.89Å; L65-L67 HydrophobicContact CD1-CD1 3.88Å; L65-L67 HydrophobicContact CD1-CG 3.95Å; L65-L67 HydrophobicContact CD2-CD1 3.93Å; L65-L67 HydrophobicContact CG-CD1 3.9Å; L65-L67 HydrophobicContact CG-CG 4.3Å; L65-I79 HydrophobicContact CD2-CD1 4.45Å; L65-F82 HydrophobicContact CD2-CD2 4.42Å; L65-F82 HydrophobicContact CD2-CE2 3.95Å; L65-L85 HydrophobicContact CB-CD1 3.85Å; L65-E87 PolarHBondContact N-O 3.38Å; L65-L88 HydrophobicContact CB-CD1 4.08Å; L65-L88 HydrophobicContact CD2-CD1 3.94Å; L65-L88 HydrophobicContact CG-CD1 3.95Å; L65-L88 WeakPolarHBondContact O-CA 3.5Å; L65-D89 PolarHBondContact O-N 2.85Å |
| 66 | T | 97.7 | Very high | 95.7 | Very high | 7 Ų | 7 | 40 Ų | 40 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 129.2 | 175.7 | 67.3 | 0 | 0 | 0 | 0 | 109.3 | C42 R43 L44 D45 L64 D89 | C42-T66 PolarHBondContact O-N 2.83Å; C42-T66 VanDerWaalsContact O-N 3.08Å; R43-T66 WeakPolarHBondContact CA-OG1 3.33Å; R43-T66 WeakPolarHBondContact CG-OG1 3.5Å; L44-T66 PolarHBondContact N-O 2.87Å; D45-T66 VanDerWaalsContact CG-OG1 3.28Å; D45-T66 WeakPolarHBondContact OD1-CA 3.16Å; D45-T66 WeakPolarHBondContact OD1-CB 3.15Å; D45-T66 PolarHBondContact OD1-OG1 2.99Å; D45-T66 WeakPolarHBondContact OD2-CB 3.28Å; D45-T66 PolarHBondContact OD2-OG1 2.69Å; L64-T66 HydrophobicContact CD2-CG2 3.81Å; L64-T66 HydrophobicContact CG-CG2 4.39Å; T66-D89 HydrophobicContact CG2-CB 3.96Å |
| 67 | L | 97.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -138.9 | 19.6 | -172.6 | -81.9 | 164.6 | 0 | 0 | 0 | 111.3 | L44 D45 L52 L65 N70 L72 D89 I90 N93 | L44-L67 HydrophobicContact CB-CD2 3.81Å; L44-L67 HydrophobicContact CD1-CD2 3.96Å; L44-L67 HydrophobicContact CG-CD2 4.49Å; D45-L67 PolarHBondContact OD1-N 2.77Å; L52-L67 HydrophobicContact CD1-CD1 3.87Å; L52-L67 HydrophobicContact CD2-CD1 4.03Å; L52-L67 HydrophobicContact CD2-CD2 3.97Å; L65-L67 HydrophobicContact CD1-CD1 3.88Å; L65-L67 HydrophobicContact CD1-CG 3.95Å; L65-L67 HydrophobicContact CD2-CD1 3.93Å; L65-L67 HydrophobicContact CG-CD1 3.9Å; L65-L67 HydrophobicContact CG-CG 4.3Å; L67-N70 PolarHBondContact O-ND2 2.97Å; L67-L72 HydrophobicContact CB-CD1 4.22Å; L67-L72 HydrophobicContact CD1-CD1 4.27Å; L67-L72 HydrophobicContact CD2-CD1 4.4Å; L67-D89 PolarHBondContact N-O 3.04Å; L67-I90 HydrophobicContact CB-CG2 4.03Å; L67-I90 HydrophobicContact CD1-CG2 4.29Å; L67-N93 PolarHBondContact O-ND2 3.43Å | ||
| 68 | S | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | trans | -67.7 | 161.1 | -177.1 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | D45 A46 N70 D89 S91 V1407 | D45-S68 CarbonylContact C-O 3.48Å; D45-S68 WeakPolarHBondContact CA-O 3.5Å; D45-S68 WeakPolarHBondContact CB-O 3.45Å; D45-S68 PolarHBondContact OD1-N 2.84Å; D45-S68 PolarHBondContact OD1-OG 2.84Å; A46-S68 PolarHBondContact N-O 3.07Å; S68-N70 PolarHBondContact O-N 2.77Å; S68-N70 PolarHBondContact O-ND2 3Å; S68-D89 WeakPolarHBondContact CB-OD1 3.32Å; S68-D89 WeakPolarHBondContact CB-OD2 3.36Å; S68-D89 PolarHBondContact OG-OD2 3.15Å; S68-S91 CarbonylContact C-O 3.55Å; S68-S91 WeakPolarHBondContact CA-O 3.45Å; S68-S91 WeakPolarHBondContact CB-O 3.22Å; S68-S91 WeakPolarHBondContact CB-OG 3.24Å; S68-V1407 WeakPolarHBondContact OG-CG1 3.45Å | ||
| 69 | D | 97.5 | Very high | 96 | Very high | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.123 | 18% | 0.182 | C | C | . | . | S | Bend | trans | 50 | 62.7 | -177.5 | -175.1 | 28.4 | 0 | 0 | 0 | 111.9 | A46 N47 S91 R92 L1411 N1414 | A46-D69 CarbonylContact C-O 3.55Å; A46-D69 WeakPolarHBondContact CA-O 3.41Å; A46-D69 VanDerWaalsContact CA-OD2 3.31Å; A46-D69 WeakPolarHBondContact CA-OD2 3.43Å; A46-D69 HydrophobicContact CB-CB 4.19Å; A46-D69 VanDerWaalsContact CB-OD2 3.26Å; A46-D69 WeakPolarHBondContact CB-OD2 3.32Å; A46-D69 PolarHBondContact N-O 3.38Å; N47-D69 PolarHBondContact N-O 3.18Å; D69-S91 PolarHBondContact N-O 3.35Å; D69-R92 WeakPolarHBondContact CA-O 3.41Å; D69-R92 PolarHBondContact N-O 3.07Å; D69-L1411 HydrophobicContact CB-CD2 3.95Å; D69-N1414 PolarHBondContact OD1-ND2 3.17Å |
| 70 | N | 97.8 | Very high | 96 | Very high | 10 Ų | 10 | 38.5 Ų | 38.5 | 5% | 0.053 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -139.4 | 177.5 | -179.8 | -90.5 | -83.6 | 0 | 0 | 0 | 110.8 | L44 N47 Q48 I49 L67 S68 L72 R92 N93 | L44-N70 PolarHBondContact O-ND2 2.96Å; N47-N70 VanDerWaalsContact C-OD1 3.32Å; N47-N70 WeakPolarHBondContact CA-OD1 3.49Å; N47-N70 WeakPolarHBondContact CB-OD1 3.28Å; Q48-N70 PolarHBondContact N-OD1 3.03Å; I49-N70 VanDerWaalsContact CB-OD1 3.3Å; I49-N70 WeakPolarHBondContact CB-OD1 3.47Å; I49-N70 WeakPolarHBondContact CG1-OD1 3.34Å; I49-N70 PolarHBondContact N-OD1 2.92Å; L67-N70 PolarHBondContact O-ND2 2.97Å; S68-N70 PolarHBondContact O-N 2.77Å; S68-N70 PolarHBondContact O-ND2 3Å; N70-L72 HydrophobicContact CB-CG 4.44Å; N70-R92 PolarHBondContact N-O 3.41Å; N70-N93 WeakPolarHBondContact CA-OD1 3.46Å; N70-N93 WeakPolarHBondContact CB-OD1 3.24Å; N70-N93 PolarHBondContact O-OD1 2.65Å; N70-N93 VanDerWaalsContact O-OD1 3.12Å |
| 71 | E | 96.6 | Very high | 96.2 | Very high | 62 Ų | 62 | 35.7 Ų | 35.7 | 29% | 0.29 | 18% | 0.182 | S | C | . | . | trans | -102.5 | 30 | -176.5 | -63 | 178.1 | -130 | 0 | 0 | 111.5 | Q48 I49 K50 T73 | Q48-E71 VanDerWaalsContact CB-OE1 3.3Å; Q48-E71 WeakPolarHBondContact CB-OE1 3.39Å; Q48-E71 WeakPolarHBondContact CG-OE1 3.34Å; I49-E71 CarbonylContact O-C 3.27Å; I49-E71 VanDerWaalsContact O-C 3.3Å; I49-E71 PolarHBondContact O-N 2.8Å; K50-E71 WeakPolarHBondContact CA-O 3.31Å; K50-E71 WeakPolarHBondContact CE-OE2 3.21Å; K50-E71 HydrophobicContact CG-CB 3.82Å; K50-E71 IonicContact NZ-OE2 3.99Å; K50-E71 PolarHBondContact NZ-OE2 2.92Å; E71-T73 PolarHBondContact O-N 2.75Å | ||
| 72 | L | 96.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | trans | -73.7 | 117 | -178 | -62.4 | 172.8 | 0 | 0 | 0 | 110.8 | I49 L52 L67 N70 N93 D94 I95 | I49-L72 HydrophobicContact CG2-CD2 4.13Å; I49-L72 WeakPolarHBondContact O-CD2 3.32Å; I49-L72 PolarHBondContact O-N 3.09Å; L52-L72 HydrophobicContact CD2-CD2 4.44Å; L52-L72 HydrophobicContact CG-CD2 4.23Å; L67-L72 HydrophobicContact CB-CD1 4.22Å; L67-L72 HydrophobicContact CD1-CD1 4.27Å; L67-L72 HydrophobicContact CD2-CD1 4.4Å; N70-L72 HydrophobicContact CB-CG 4.44Å; L72-N93 HydrophobicContact CB-CB 4.19Å; L72-N93 WeakPolarHBondContact CB-OD1 3.13Å; L72-N93 VanDerWaalsContact CG-OD1 3.28Å; L72-N93 WeakPolarHBondContact CG-OD1 3.46Å; L72-N93 PolarHBondContact N-OD1 2.79Å; L72-D94 CarbonylContact O-C 3.42Å; L72-D94 WeakPolarHBondContact O-CA 3.27Å; L72-D94 PolarHBondContact O-N 3.26Å; L72-I95 HydrophobicContact CB-CD1 4.3Å; L72-I95 HydrophobicContact CB-CG1 4.15Å; L72-I95 VanDerWaalsContact O-CG1 3.27Å; L72-I95 WeakPolarHBondContact O-CG1 3.44Å; L72-I95 PolarHBondContact O-N 2.99Å | ||
| 73 | T | 94.8 | Very high | 96.2 | Very high | 79 Ų | 79 | 32.7 Ų | 32.7 | 49% | 0.485 | 18% | 0.179 | S | C | . | . | trans | -86.2 | -12.6 | 177.5 | 51.1 | 0 | 0 | 0 | 0 | 114.3 | E71 D94 | E71-T73 PolarHBondContact O-N 2.75Å; T73-D94 CarbonylContact C-O 3.59Å; T73-D94 WeakPolarHBondContact CA-O 3.48Å; T73-D94 HydrophobicContact CG2-CB 4.15Å | ||
| 74 | R | 95.4 | Very high | 96.1 | Very high | 121 Ų | 121 | 30.5 Ų | 30.5 | 46% | 0.457 | 18% | 0.176 | S | C | . | . | trans | -165.2 | 148.3 | -178.7 | 60.2 | -174.8 | -60 | -97 | -3.2 | 112.5 | P76 | R74-P76 WeakPolarHBondContact O-CD 3.24Š| ||
| 75 | L | 95.3 | Very high | 96 | Very high | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | trans | -93.3 | 118.5 | 170.8 | -171.1 | 65 | 0 | 0 | 0 | 110.7 | L52 I79 I90 L98 P99 | L52-L75 HydrophobicContact CD1-CD1 4.19Å; L75-I79 HydrophobicContact CD1-CB 4.48Å; L75-I79 HydrophobicContact CD1-CD1 4.31Å; L75-I79 HydrophobicContact CD2-CB 4.18Å; L75-I79 HydrophobicContact CD2-CG1 3.99Å; L75-I79 HydrophobicContact CD2-CG2 4.03Å; L75-I79 HydrophobicContact CG-CB 4.17Å; L75-I79 HydrophobicContact CG-CG1 4.39Å; L75-I79 HydrophobicContact CG-CG2 4.19Å; L75-I90 HydrophobicContact CD2-CD1 4.12Å; L75-L98 HydrophobicContact CD2-CD2 4.27Å; L75-P99 HydrophobicContact CB-CG 4.28Å; L75-P99 HydrophobicContact CD2-CG 4.3Å; L75-P99 HydrophobicContact CG-CG 4.24Å; L75-P99 WeakPolarHBondContact O-CD 3.36Å; L75-P99 WeakPolarHBondContact O-CG 3.3Å | ||
| 76 | P | 95.2 | Very high | 96 | Very high | 22 Ų | 22 | 31.4 Ų | 31.4 | 14% | 0.143 | 18% | 0.182 | C | C | . | . | trans | -67.8 | 147.9 | -178.7 | -22.1 | 34 | 0 | 0 | 0 | 113.3 | L52 F57 R74 G78 I79 | L52-P76 HydrophobicContact CB-CG 4.33Å; F57-P76 HydrophobicContact CE2-CB 3.83Å; F57-P76 HydrophobicContact CE2-CG 4.05Å; F57-P76 HydrophobicContact CZ-CB 3.77Å; F57-P76 HydrophobicContact CZ-CG 3.85Å; R74-P76 WeakPolarHBondContact O-CD 3.24Å; P76-G78 PolarHBondContact O-N 3.15Å; P76-I79 WeakPolarHBondContact O-CG2 3.34Å; P76-I79 PolarHBondContact O-N 3.17Å | ||
| 77 | T | 94.9 | Very high | 96.1 | Very high | 100 Ų | 100 | 34.7 Ų | 34.7 | 61% | 0.613 | 20% | 0.197 | S | C | * | . | G | 310 helix | trans | -59 | -9.8 | 178.4 | 54.6 | 0 | 0 | 0 | 0 | 115.2 | I79 P99 S101 | T77-I79 PolarHBondContact O-N 2.98Å; T77-P99 HydrophobicContact CG2-CB 3.87Å; T77-S101 VanDerWaalsContact CA-OG 3.29Å; T77-S101 WeakPolarHBondContact CA-OG 3.38Å; T77-S101 WeakPolarHBondContact O-CB 3.42Å; T77-S101 PolarHBondContact O-OG 2.87Å |
| 78 | G | 94.6 | Very high | 96.1 | Very high | 20 Ų | 20 | 34.7 Ų | 34.7 | 21% | 0.206 | 20% | 0.197 | C | C | . | . | G | 310 helix | trans | -65.6 | -15.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | F57 P76 G80 S81 | F57-G78 WeakPolarHBondContact CD1-O 3.34Å; P76-G78 PolarHBondContact O-N 3.15Å; G78-G80 VanDerWaalsContact C-N 3.3Å; G78-G80 PolarHBondContact O-N 3.37Å; G78-S81 VanDerWaalsContact O-CB 3.28Å; G78-S81 WeakPolarHBondContact O-CB 3.23Å; G78-S81 PolarHBondContact O-N 3.41Å; G78-S81 VanDerWaalsContact O-N 3.15Å; G78-S81 PolarHBondContact O-OG 2.87Å |
| 79 | I | 96.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -56.7 | -41.8 | 179.8 | -171.2 | 70.2 | 0 | 0 | 0 | 112.4 | F57 L65 L75 P76 T77 S81 F82 L85 L88 P99 C105 | F57-I79 HydrophobicContact CE1-CB 4.45Å; L65-I79 HydrophobicContact CD2-CD1 4.45Å; L75-I79 HydrophobicContact CD1-CB 4.48Å; L75-I79 HydrophobicContact CD1-CD1 4.31Å; L75-I79 HydrophobicContact CD2-CB 4.18Å; L75-I79 HydrophobicContact CD2-CG1 3.99Å; L75-I79 HydrophobicContact CD2-CG2 4.03Å; L75-I79 HydrophobicContact CG-CB 4.17Å; L75-I79 HydrophobicContact CG-CG1 4.39Å; L75-I79 HydrophobicContact CG-CG2 4.19Å; P76-I79 WeakPolarHBondContact O-CG2 3.34Å; P76-I79 PolarHBondContact O-N 3.17Å; T77-I79 PolarHBondContact O-N 2.98Å; I79-S81 PolarHBondContact O-N 3.02Å; I79-F82 HydrophobicContact CD1-CD2 3.83Å; I79-F82 HydrophobicContact CD1-CE2 4.14Å; I79-F82 PolarHBondContact O-N 2.78Å; I79-L85 HydrophobicContact CD1-CD2 4.24Å; I79-L88 HydrophobicContact CD1-CD2 4.18Å; I79-L88 HydrophobicContact CG1-CD2 4.37Å; I79-P99 HydrophobicContact CG2-CG 3.61Å; I79-C105 PolarHBondContact O-SG 3.5Å |
| 80 | G | 94.1 | Very high | 96.2 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 18% | 0.175 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -66.7 | 18.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | G78 S101 F104 | G78-G80 VanDerWaalsContact C-N 3.3Å; G78-G80 PolarHBondContact O-N 3.37Å; G80-S101 WeakPolarHBondContact CA-O 3.36Å; G80-F104 VanDerWaalsContact O-CB 3.3Å; G80-F104 WeakPolarHBondContact O-CB 3.33Å |
| 81 | S | 94.3 | Very high | 96.2 | Very high | 36 Ų | 36 | 33.9 Ų | 33.9 | 25% | 0.252 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -118.7 | 6.3 | 175.5 | 84.7 | 0 | 0 | 0 | 0 | 112.4 | F57 K60 G78 I79 | F57-S81 PolarHBondContact O-OG 3.06Å; K60-S81 WeakPolarHBondContact CD-O 3.35Å; K60-S81 PolarHBondContact NZ-O 3.18Å; K60-S81 PolarHBondContact NZ-OG 3.05Å; G78-S81 VanDerWaalsContact O-CB 3.28Å; G78-S81 WeakPolarHBondContact O-CB 3.23Å; G78-S81 PolarHBondContact O-N 3.41Å; G78-S81 VanDerWaalsContact O-N 3.15Å; G78-S81 PolarHBondContact O-OG 2.87Å; I79-S81 PolarHBondContact O-N 3.02Å |
| 82 | F | 95.8 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -99.1 | 67.1 | 164.4 | -58.1 | -35.9 | 0 | 0 | 0 | 109.9 | F56 F57 L59 I62 L65 I79 N84 L85 | F56-F82 HydrophobicContact CD1-CE2 4.25Å; F56-F82 AromaticContact CD1-CZ 3.9Å; F56-F82 HydrophobicContact CD1-CZ 3.9Å; F56-F82 AromaticContact CE1-CE2 3.97Å; F56-F82 HydrophobicContact CE1-CE2 3.97Å; F56-F82 AromaticContact CE1-CZ 3.93Å; F56-F82 HydrophobicContact CE1-CZ 3.93Å; F57-F82 HydrophobicContact CD1-CE1 4.48Å; F57-F82 AromaticContact CD1-CE2 3.96Å; F57-F82 HydrophobicContact CD1-CE2 3.96Å; F57-F82 AromaticContact CD1-CZ 3.83Å; F57-F82 HydrophobicContact CD1-CZ 3.83Å; F57-F82 HydrophobicContact CE1-CE2 4.28Å; F57-F82 HydrophobicContact CE1-CZ 4.48Å; L59-F82 HydrophobicContact CB-CE1 3.97Å; L59-F82 HydrophobicContact CB-CZ 4.43Å; L59-F82 VanDerWaalsContact O-CD1 3.31Å; L59-F82 WeakPolarHBondContact O-CD1 3.5Å; L59-F82 VanDerWaalsContact O-CE1 3.28Å; L59-F82 WeakPolarHBondContact O-CE1 3.32Å; I62-F82 HydrophobicContact CB-CD1 4.36Å; I62-F82 HydrophobicContact CB-CG 4.39Å; I62-F82 HydrophobicContact CG1-CE1 4.38Å; L65-F82 HydrophobicContact CD2-CD2 4.42Å; L65-F82 HydrophobicContact CD2-CE2 3.95Å; I79-F82 HydrophobicContact CD1-CD2 3.83Å; I79-F82 HydrophobicContact CD1-CE2 4.14Å; I79-F82 PolarHBondContact O-N 2.78Å; F82-N84 PolarHBondContact O-N 3.36Å; F82-L85 HydrophobicContact CB-CB 3.95Å; F82-L85 HydrophobicContact CB-CD2 4.44Å; F82-L85 WeakPolarHBondContact O-CB 3.5Å; F82-L85 PolarHBondContact O-N 2.73Å | ||
| 83 | S | 94 | Very high | 96.2 | Very high | 53 Ų | 53 | 33.2 Ų | 33.2 | 37% | 0.371 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.9 | -178.7 | 59.7 | 0 | 0 | 0 | 0 | 114.6 | S107 | S83-S107 WeakPolarHBondContact O-CB 3.5Å; S83-S107 PolarHBondContact O-N 3.22Å; S83-S107 PolarHBondContact O-OG 2.84Å |
| 84 | N | 95.3 | Very high | 96.3 | Very high | 72 Ų | 72 | 34.2 Ų | 34.2 | 39% | 0.385 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -0.7 | 177.9 | -57.1 | -49.9 | 0 | 0 | 0 | 113 | K60 I62 R63 F82 V86 | K60-N84 PolarHBondContact O-ND2 2.79Å; I62-N84 CarbonylContact O-C 3.48Å; I62-N84 VanDerWaalsContact O-C 3.25Å; R63-N84 WeakPolarHBondContact CA-O 3.33Å; R63-N84 HydrophobicContact CG-CB 4.38Å; R63-N84 WeakPolarHBondContact CG-O 3.21Å; F82-N84 PolarHBondContact O-N 3.36Å; N84-V86 WeakPolarHBondContact O-CG2 3.45Å; N84-V86 PolarHBondContact O-N 2.65Å |
| 85 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -63.5 | 123.1 | -179.8 | -171.7 | 67.8 | 0 | 0 | 0 | 109.4 | I62 L65 I79 F82 E87 L88 S107 L108 | I62-L85 HydrophobicContact CG2-CD1 3.68Å; I62-L85 WeakPolarHBondContact O-CA 3.4Å; I62-L85 PolarHBondContact O-N 3.33Å; L65-L85 HydrophobicContact CB-CD1 3.85Å; I79-L85 HydrophobicContact CD1-CD2 4.24Å; F82-L85 HydrophobicContact CB-CB 3.95Å; F82-L85 HydrophobicContact CB-CD2 4.44Å; F82-L85 WeakPolarHBondContact O-CB 3.5Å; F82-L85 PolarHBondContact O-N 2.73Å; L85-E87 WeakPolarHBondContact CD1-O 3.43Å; L85-L88 HydrophobicContact CD2-CB 3.98Å; L85-L88 HydrophobicContact CD2-CD1 4.38Å; L85-L88 HydrophobicContact CD2-CD2 4.08Å; L85-L88 HydrophobicContact CD2-CG 4.38Å; L85-L88 HydrophobicContact CG-CB 4.4Å; L85-S107 CarbonylContact O-C 3.54Å; L85-S107 WeakPolarHBondContact O-CB 3.43Å; L85-L108 HydrophobicContact CB-CD1 4.45Å; L85-L108 HydrophobicContact CD2-CD1 4.03Å; L85-L108 HydrophobicContact CG-CD1 3.8Å; L85-L108 WeakPolarHBondContact O-CA 3.17Å; L85-L108 PolarHBondContact O-N 2.88Å | ||
| 86 | V | 98 | Very high | 96.3 | Very high | 34 Ų | 34 | 31.9 Ų | 31.9 | 21% | 0.206 | 19% | 0.193 | C | C | . | . | trans | -106.2 | -39.3 | 180 | -177.3 | 0 | 0 | 0 | 0 | 110.4 | R63 N84 Q109 S110 | R63-V86 HydrophobicContact CB-CG2 4.35Å; R63-V86 WeakPolarHBondContact O-CA 3.49Å; R63-V86 WeakPolarHBondContact O-CB 3.25Å; R63-V86 PolarHBondContact O-N 3.23Å; N84-V86 WeakPolarHBondContact O-CG2 3.45Å; N84-V86 PolarHBondContact O-N 2.65Å; V86-Q109 HydrophobicContact CG1-CB 3.93Å; V86-Q109 HydrophobicContact CG1-CG 4.02Å; V86-Q109 PolarHBondContact O-N 2.92Å; V86-S110 PolarHBondContact O-N 3.03Å | ||
| 87 | E | 98.5 | Very high | 96.2 | Very high | 76 Ų | 76 | 36.5 Ų | 36.5 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 126.6 | -178.4 | -175.7 | 179.4 | 143.7 | 0 | 0 | 109.9 | R63 L64 L65 L85 S110 | R63-E87 PolarHBondContact O-N 3.3Å; L64-E87 HydrophobicContact CB-CB 4.5Å; L64-E87 HydrophobicContact CD1-CB 4.49Å; L64-E87 WeakPolarHBondContact CD1-OE2 3.45Å; L64-E87 HydrophobicContact CG-CB 4.24Å; L64-E87 HydrophobicContact CG-CG 4.4Å; L65-E87 PolarHBondContact N-O 3.38Å; L85-E87 WeakPolarHBondContact CD1-O 3.43Å; E87-S110 WeakPolarHBondContact CA-O 3.32Å |
| 88 | L | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 116 | 174.7 | 179.7 | 60.1 | 0 | 0 | 0 | 110 | L65 I79 L85 I90 L108 S110 L111 D112 | L65-L88 HydrophobicContact CB-CD1 4.08Å; L65-L88 HydrophobicContact CD2-CD1 3.94Å; L65-L88 HydrophobicContact CG-CD1 3.95Å; L65-L88 WeakPolarHBondContact O-CA 3.5Å; I79-L88 HydrophobicContact CD1-CD2 4.18Å; I79-L88 HydrophobicContact CG1-CD2 4.37Å; L85-L88 HydrophobicContact CD2-CB 3.98Å; L85-L88 HydrophobicContact CD2-CD1 4.38Å; L85-L88 HydrophobicContact CD2-CD2 4.08Å; L85-L88 HydrophobicContact CD2-CG 4.38Å; L85-L88 HydrophobicContact CG-CB 4.4Å; L88-I90 HydrophobicContact CD1-CG2 3.87Å; L88-I90 HydrophobicContact CG-CG2 4.27Å; L88-L108 HydrophobicContact CB-CD1 3.9Å; L88-S110 PolarHBondContact N-O 3.31Å; L88-L111 HydrophobicContact CB-CD1 3.96Å; L88-L111 HydrophobicContact CD2-CD1 3.85Å; L88-L111 HydrophobicContact CG-CD1 3.97Å; L88-L111 WeakPolarHBondContact O-CA 3.42Å; L88-D112 PolarHBondContact O-N 3.06Å |
| 89 | D | 98.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 31.8 Ų | 31.8 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 120.8 | 168.9 | 176.3 | 14.7 | 0 | 0 | 0 | 109 | L65 T66 L67 S68 S91 D112 | L65-D89 PolarHBondContact O-N 2.85Å; T66-D89 HydrophobicContact CG2-CB 3.96Å; L67-D89 PolarHBondContact N-O 3.04Å; S68-D89 WeakPolarHBondContact CB-OD1 3.32Å; S68-D89 WeakPolarHBondContact CB-OD2 3.36Å; S68-D89 PolarHBondContact OG-OD2 3.15Å; D89-S91 VanDerWaalsContact OD1-CB 3.3Å; D89-S91 WeakPolarHBondContact OD1-CB 3.29Å; D89-S91 PolarHBondContact OD1-N 3.15Å; D89-S91 PolarHBondContact OD1-OG 2.84Å; D89-D112 HydrophobicContact CB-CB 4.49Å |
| 90 | I | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -130.7 | 23.5 | 173.7 | 52.1 | 163.8 | 0 | 0 | 0 | 111.2 | L67 L75 L88 N93 I95 L98 D112 V113 N116 | L67-I90 HydrophobicContact CB-CG2 4.03Å; L67-I90 HydrophobicContact CD1-CG2 4.29Å; L75-I90 HydrophobicContact CD2-CD1 4.12Å; L88-I90 HydrophobicContact CD1-CG2 3.87Å; L88-I90 HydrophobicContact CG-CG2 4.27Å; I90-N93 PolarHBondContact O-ND2 3.26Å; I90-I95 HydrophobicContact CB-CD1 4.06Å; I90-I95 HydrophobicContact CD1-CD1 3.74Å; I90-I95 HydrophobicContact CG1-CD1 4.38Å; I90-L98 HydrophobicContact CD1-CD2 3.76Å; I90-D112 WeakPolarHBondContact CG1-O 3.23Å; I90-D112 PolarHBondContact N-O 3.16Å; I90-V113 HydrophobicContact CD1-CB 4.32Å; I90-V113 HydrophobicContact CD1-CG1 3.7Å; I90-V113 HydrophobicContact CG1-CB 4.23Å; I90-V113 HydrophobicContact CG1-CG1 3.73Å; I90-N116 PolarHBondContact O-ND2 3.41Å | ||
| 91 | S | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -64.5 | 156.7 | -177 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | S68 D69 D89 N93 S114 | S68-S91 CarbonylContact C-O 3.55Å; S68-S91 WeakPolarHBondContact CA-O 3.45Å; S68-S91 WeakPolarHBondContact CB-O 3.22Å; S68-S91 WeakPolarHBondContact CB-OG 3.24Å; D69-S91 PolarHBondContact N-O 3.35Å; D89-S91 VanDerWaalsContact OD1-CB 3.3Å; D89-S91 WeakPolarHBondContact OD1-CB 3.29Å; D89-S91 PolarHBondContact OD1-N 3.15Å; D89-S91 PolarHBondContact OD1-OG 2.84Å; S91-N93 PolarHBondContact O-N 2.77Å; S91-N93 PolarHBondContact O-ND2 3.19Å; S91-S114 CarbonylContact C-O 3.6Å; S91-S114 WeakPolarHBondContact CA-O 3.49Å; S91-S114 WeakPolarHBondContact CB-O 3.32Å | ||
| 92 | R | 97.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 32.1 Ų | 32.1 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | S | Bend | trans | 40 | 66.2 | -174.1 | -59 | 176.1 | -148.8 | 178.8 | 14.2 | 112.7 | D69 N70 S114 N115 L1411 | D69-R92 WeakPolarHBondContact CA-O 3.41Å; D69-R92 PolarHBondContact N-O 3.07Å; N70-R92 PolarHBondContact N-O 3.41Å; R92-S114 PolarHBondContact N-O 2.9Å; R92-N115 WeakPolarHBondContact CA-O 3.44Å; R92-N115 HydrophobicContact CB-CB 4.24Å; R92-N115 HydrophobicContact CG-CB 3.18Å; R92-N115 VanDerWaalsContact CZ-OD1 3.31Å; R92-N115 PolarHBondContact NE-ND2 2.87Å; R92-N115 PolarHBondContact NE-OD1 2.73Å; R92-N115 PolarHBondContact NH2-OD1 2.86Å; R92-L1411 HydrophobicContact CB-CD2 3.41Å; R92-L1411 VanDerWaalsContact CB-CD2 3.41Å; R92-L1411 VanDerWaalsContact CD-CB 3.41Å; R92-L1411 WeakPolarHBondContact CD-O 3.32Å; R92-L1411 HydrophobicContact CG-CB 4.41Å; R92-L1411 HydrophobicContact CG-CD1 4.48Å; R92-L1411 HydrophobicContact CG-CD2 3.59Å; R92-L1411 HydrophobicContact CG-CG 4.34Å; R92-L1411 VanDerWaalsContact CZ-CB 3.4Å; R92-L1411 PolarHBondContact NH1-O 3.37Å |
| 93 | N | 97.6 | Very high | 96.5 | Very high | 7 Ų | 7 | 36 Ų | 36 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -129.4 | 179.8 | 167.6 | -82.7 | -99 | 0 | 0 | 0 | 108 | L67 N70 L72 I90 S91 I95 N116 | L67-N93 PolarHBondContact O-ND2 3.43Å; N70-N93 WeakPolarHBondContact CA-OD1 3.46Å; N70-N93 WeakPolarHBondContact CB-OD1 3.24Å; N70-N93 PolarHBondContact O-OD1 2.65Å; N70-N93 VanDerWaalsContact O-OD1 3.12Å; L72-N93 HydrophobicContact CB-CB 4.19Å; L72-N93 WeakPolarHBondContact CB-OD1 3.13Å; L72-N93 VanDerWaalsContact CG-OD1 3.28Å; L72-N93 WeakPolarHBondContact CG-OD1 3.46Å; L72-N93 PolarHBondContact N-OD1 2.79Å; I90-N93 PolarHBondContact O-ND2 3.26Å; S91-N93 PolarHBondContact O-N 2.77Å; S91-N93 PolarHBondContact O-ND2 3.19Å; N93-I95 HydrophobicContact CB-CD1 4.18Å; N93-I95 HydrophobicContact CB-CG1 4.02Å; N93-N116 WeakPolarHBondContact CA-OD1 3.46Å; N93-N116 WeakPolarHBondContact CB-OD1 3.48Å; N93-N116 PolarHBondContact N-OD1 2.88Å; N93-N116 PolarHBondContact O-OD1 3.43Å |
| 94 | D | 96 | Very high | 96.6 | Very high | 99 Ų | 99 | 38.1 Ų | 38.1 | 53% | 0.529 | 20% | 0.199 | S | C | . | . | trans | -96.7 | 29.8 | 178.5 | -66.9 | -55.1 | 0 | 0 | 0 | 112.5 | L72 T73 S96 | L72-D94 CarbonylContact O-C 3.42Å; L72-D94 WeakPolarHBondContact O-CA 3.27Å; L72-D94 PolarHBondContact O-N 3.26Å; T73-D94 CarbonylContact C-O 3.59Å; T73-D94 WeakPolarHBondContact CA-O 3.48Å; T73-D94 HydrophobicContact CG2-CB 4.15Å; D94-S96 PolarHBondContact O-N 2.8Å | ||
| 95 | I | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -74.6 | 111.4 | -172.8 | -57.3 | 171.7 | 0 | 0 | 0 | 110.2 | L72 I90 N93 E97 L98 N116 P117 L118 | L72-I95 HydrophobicContact CB-CD1 4.3Å; L72-I95 HydrophobicContact CB-CG1 4.15Å; L72-I95 VanDerWaalsContact O-CG1 3.27Å; L72-I95 WeakPolarHBondContact O-CG1 3.44Å; L72-I95 PolarHBondContact O-N 2.99Å; I90-I95 HydrophobicContact CB-CD1 4.06Å; I90-I95 HydrophobicContact CD1-CD1 3.74Å; I90-I95 HydrophobicContact CG1-CD1 4.38Å; N93-I95 HydrophobicContact CB-CD1 4.18Å; N93-I95 HydrophobicContact CB-CG1 4.02Å; I95-E97 VanDerWaalsContact CG2-O 3.29Å; I95-E97 WeakPolarHBondContact CG2-O 3.47Å; I95-L98 HydrophobicContact CG2-CD2 4.36Å; I95-N116 HydrophobicContact CB-CB 4.25Å; I95-N116 WeakPolarHBondContact CB-OD1 3.33Å; I95-N116 WeakPolarHBondContact CG1-OD1 3.34Å; I95-N116 PolarHBondContact N-OD1 3.01Å; I95-P117 WeakPolarHBondContact O-CD 3.18Å; I95-L118 HydrophobicContact CG2-CD2 4.11Å; I95-L118 VanDerWaalsContact O-CD2 3.23Å; I95-L118 WeakPolarHBondContact O-CD2 3.06Å | ||
| 96 | S | 93.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 39.2 Ų | 39.2 | 52% | 0.524 | 20% | 0.204 | S | C | . | . | trans | -88.8 | -18.7 | -179 | 45.5 | 0 | 0 | 0 | 0 | 114.9 | D94 | D94-S96 PolarHBondContact O-N 2.8Š| ||
| 97 | E | 94.9 | Very high | 96.3 | Very high | 118 Ų | 118 | 39.5 Ų | 39.5 | 55% | 0.551 | 21% | 0.208 | S | C | * | . | trans | -146.7 | 140.2 | 174.7 | 55.4 | 165.2 | -150.7 | 0 | 0 | 111.7 | I95 | I95-E97 VanDerWaalsContact CG2-O 3.29Å; I95-E97 WeakPolarHBondContact CG2-O 3.47Å | ||
| 98 | L | 96.2 | Very high | 96.3 | Very high | 10 Ų | 10 | 35.9 Ų | 35.9 | 5% | 0.052 | 19% | 0.191 | C | C | . | . | trans | -89.8 | 134.3 | 166.2 | -65 | 178.1 | 0 | 0 | 0 | 110 | L75 I90 I95 V113 L118 L121 P122 F125 | L75-L98 HydrophobicContact CD2-CD2 4.27Å; I90-L98 HydrophobicContact CD1-CD2 3.76Å; I95-L98 HydrophobicContact CG2-CD2 4.36Å; L98-V113 HydrophobicContact CD1-CG1 4.24Å; L98-V113 HydrophobicContact CD2-CG1 4.37Å; L98-L118 HydrophobicContact CD1-CD1 3.99Å; L98-L118 HydrophobicContact CD2-CD1 4.27Å; L98-L118 HydrophobicContact CD2-CD2 4.43Å; L98-L118 HydrophobicContact CG-CD1 3.89Å; L98-L118 HydrophobicContact CG-CD2 3.94Å; L98-L121 HydrophobicContact CD1-CD2 4.31Å; L98-P122 HydrophobicContact CB-CG 3.84Å; L98-P122 WeakPolarHBondContact O-CB 3.44Å; L98-F125 HydrophobicContact CD1-CE2 4.31Å | ||
| 99 | P | 96 | Very high | 96.3 | Very high | 11 Ų | 11 | 39.8 Ų | 39.8 | 7% | 0.071 | 21% | 0.209 | C | C | . | . | trans | -72.8 | 133.6 | 179.8 | 30.6 | -37 | 0 | 0 | 0 | 110.8 | L75 T77 I79 S101 I102 | L75-P99 HydrophobicContact CB-CG 4.28Å; L75-P99 HydrophobicContact CD2-CG 4.3Å; L75-P99 HydrophobicContact CG-CG 4.24Å; L75-P99 WeakPolarHBondContact O-CD 3.36Å; L75-P99 WeakPolarHBondContact O-CG 3.3Å; T77-P99 HydrophobicContact CG2-CB 3.87Å; I79-P99 HydrophobicContact CG2-CG 3.61Å; P99-S101 PolarHBondContact O-N 2.84Å; P99-I102 WeakPolarHBondContact O-CB 3.11Å; P99-I102 WeakPolarHBondContact O-CG2 3.2Å; P99-I102 PolarHBondContact O-N 3.17Å | ||
| 100 | A | 95.9 | Very high | 96.3 | Very high | 42 Ų | 42 | 40.7 Ų | 40.7 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -57.8 | -9.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | I102 R103 P122 | A100-I102 VanDerWaalsContact C-N 3.28Å; A100-R103 WeakPolarHBondContact O-CD 3.44Å; A100-R103 VanDerWaalsContact O-CG 3.22Å; A100-R103 WeakPolarHBondContact O-CG 3.5Å; A100-R103 PolarHBondContact O-NE 3.43Å; A100-P122 HydrophobicContact CB-CB 4.38Å |
| 101 | S | 96.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 40.7 Ų | 40.7 | 13% | 0.126 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -72.8 | -13.5 | 168.7 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | T77 G80 P99 R103 F104 | T77-S101 VanDerWaalsContact CA-OG 3.29Å; T77-S101 WeakPolarHBondContact CA-OG 3.38Å; T77-S101 WeakPolarHBondContact O-CB 3.42Å; T77-S101 PolarHBondContact O-OG 2.87Å; G80-S101 WeakPolarHBondContact CA-O 3.36Å; P99-S101 PolarHBondContact O-N 2.84Å; S101-R103 PolarHBondContact O-N 2.68Å; S101-R103 VanDerWaalsContact O-N 3.16Å; S101-F104 VanDerWaalsContact O-CD2 3.28Å; S101-F104 WeakPolarHBondContact O-CD2 3.47Å; S101-F104 PolarHBondContact O-N 3.17Å; S101-F104 VanDerWaalsContact O-N 3.09Å |
| 102 | I | 96.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -55.1 | -31.8 | 177.8 | -165 | 170.5 | 0 | 0 | 0 | 111.9 | P99 A100 F104 C105 L111 P122 F125 L128 | P99-I102 WeakPolarHBondContact O-CB 3.11Å; P99-I102 WeakPolarHBondContact O-CG2 3.2Å; P99-I102 PolarHBondContact O-N 3.17Å; A100-I102 VanDerWaalsContact C-N 3.28Å; I102-F104 PolarHBondContact O-N 2.78Å; I102-C105 VanDerWaalsContact O-CB 3.32Å; I102-C105 WeakPolarHBondContact O-CB 3.36Å; I102-C105 PolarHBondContact O-N 3.28Å; I102-C105 PolarHBondContact O-SG 3.35Å; I102-L111 HydrophobicContact CD1-CD2 4.09Å; I102-P122 HydrophobicContact CG2-CG 4.11Å; I102-F125 HydrophobicContact CG2-CD2 4.31Å; I102-L128 WeakPolarHBondContact O-CD2 3.45Å |
| 103 | R | 95.1 | Very high | 96.4 | Very high | 83 Ų | 83 | 40.3 Ų | 40.3 | 31% | 0.313 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -55.3 | -11.1 | 174.3 | 77.9 | -168.9 | 179 | -166.3 | 1.3 | 116.5 | A100 S101 G124 Q127 | A100-R103 WeakPolarHBondContact O-CD 3.44Å; A100-R103 VanDerWaalsContact O-CG 3.22Å; A100-R103 WeakPolarHBondContact O-CG 3.5Å; A100-R103 PolarHBondContact O-NE 3.43Å; S101-R103 PolarHBondContact O-N 2.68Å; S101-R103 VanDerWaalsContact O-N 3.16Å; R103-G124 WeakPolarHBondContact CB-O 3.32Å; R103-Q127 HydrophobicContact CB-CB 4.25Å |
| 104 | F | 95.6 | Very high | 96.4 | Very high | 96 Ų | 96 | 40.1 Ų | 40.1 | 42% | 0.421 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -97.7 | 3.1 | 176.6 | -56 | -55 | 0 | 0 | 0 | 112.9 | G80 S101 I102 D106 | G80-F104 VanDerWaalsContact O-CB 3.3Å; G80-F104 WeakPolarHBondContact O-CB 3.33Å; S101-F104 VanDerWaalsContact O-CD2 3.28Å; S101-F104 WeakPolarHBondContact O-CD2 3.47Å; S101-F104 PolarHBondContact O-N 3.17Å; S101-F104 VanDerWaalsContact O-N 3.09Å; I102-F104 PolarHBondContact O-N 2.78Å; F104-D106 PolarHBondContact O-N 2.92Å |
| 105 | C | 96.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -78.7 | 63.1 | 166.6 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | I79 I102 S107 L108 L128 | I79-C105 PolarHBondContact O-SG 3.5Å; I102-C105 VanDerWaalsContact O-CB 3.32Å; I102-C105 WeakPolarHBondContact O-CB 3.36Å; I102-C105 PolarHBondContact O-N 3.28Å; I102-C105 PolarHBondContact O-SG 3.35Å; C105-S107 PolarHBondContact O-N 2.89Å; C105-L108 HydrophobicContact CB-CB 4.14Å; C105-L108 HydrophobicContact CB-CD2 4.47Å; C105-L108 VanDerWaalsContact O-CB 3.24Å; C105-L108 WeakPolarHBondContact O-CB 3.29Å; C105-L108 PolarHBondContact O-N 3.12Å; C105-L128 HydrophobicContact CB-CD2 4.3Å | ||
| 106 | D | 92.4 | Very high | 96.5 | Very high | 95 Ų | 95 | 36.5 Ų | 36.5 | 51% | 0.508 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -24.8 | -166.8 | -56.5 | -29.3 | 0 | 0 | 0 | 113.8 | F104 N130 | F104-D106 PolarHBondContact O-N 2.92Å; D106-N130 PolarHBondContact O-ND2 3.09Å |
| 107 | S | 96.8 | Very high | 96.4 | Very high | 40 Ų | 40 | 36 Ų | 36 | 28% | 0.28 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89 | 1 | 179.7 | -51.9 | 0 | 0 | 0 | 0 | 114.8 | S83 L85 C105 Q109 | S83-S107 WeakPolarHBondContact O-CB 3.5Å; S83-S107 PolarHBondContact O-N 3.22Å; S83-S107 PolarHBondContact O-OG 2.84Å; L85-S107 CarbonylContact O-C 3.54Å; L85-S107 WeakPolarHBondContact O-CB 3.43Å; C105-S107 PolarHBondContact O-N 2.89Å; S107-Q109 PolarHBondContact O-N 2.93Å |
| 108 | L | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | trans | -69.3 | 124.8 | -169.6 | -165.2 | 71 | 0 | 0 | 0 | 110.9 | L85 L88 C105 S110 L111 L128 N130 L131 | L85-L108 HydrophobicContact CB-CD1 4.45Å; L85-L108 HydrophobicContact CD2-CD1 4.03Å; L85-L108 HydrophobicContact CG-CD1 3.8Å; L85-L108 WeakPolarHBondContact O-CA 3.17Å; L85-L108 PolarHBondContact O-N 2.88Å; L88-L108 HydrophobicContact CB-CD1 3.9Å; C105-L108 HydrophobicContact CB-CB 4.14Å; C105-L108 HydrophobicContact CB-CD2 4.47Å; C105-L108 VanDerWaalsContact O-CB 3.24Å; C105-L108 WeakPolarHBondContact O-CB 3.29Å; C105-L108 PolarHBondContact O-N 3.12Å; L108-S110 WeakPolarHBondContact CD1-O 3.25Å; L108-L111 HydrophobicContact CD2-CB 4.07Å; L108-L111 HydrophobicContact CD2-CD1 4.42Å; L108-L111 HydrophobicContact CD2-CD2 4.17Å; L108-L111 HydrophobicContact CD2-CG 4.46Å; L108-L128 HydrophobicContact CB-CD2 4.26Å; L108-L128 HydrophobicContact CD2-CD1 4.15Å; L108-L128 HydrophobicContact CD2-CD2 4.24Å; L108-N130 CarbonylContact O-C 3.49Å; L108-L131 HydrophobicContact CD2-CD1 4.21Å; L108-L131 HydrophobicContact CG-CD1 4.06Å; L108-L131 WeakPolarHBondContact O-CA 3.44Å; L108-L131 PolarHBondContact O-N 2.94Å | ||
| 109 | Q | 98.4 | Very high | 95.9 | Very high | 84 Ų | 84 | 37.6 Ų | 37.6 | 39% | 0.393 | 20% | 0.2 | S | C | . | . | trans | -115.8 | -33.6 | -178.7 | -67.2 | 177 | 8.3 | 0 | 0 | 112 | V86 S107 N130 R132 V133 | V86-Q109 HydrophobicContact CG1-CB 3.93Å; V86-Q109 HydrophobicContact CG1-CG 4.02Å; V86-Q109 PolarHBondContact O-N 2.92Å; S107-Q109 PolarHBondContact O-N 2.93Å; Q109-N130 WeakPolarHBondContact CA-O 3.36Å; Q109-N130 WeakPolarHBondContact CG-O 3.47Å; Q109-R132 WeakPolarHBondContact O-CA 3.4Å; Q109-R132 PolarHBondContact O-N 2.99Å; Q109-V133 PolarHBondContact O-N 2.68Å | ||
| 110 | S | 98.5 | Very high | 95.7 | Very high | 34 Ų | 34 | 40.7 Ų | 40.7 | 24% | 0.238 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.5 | 175.9 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | V86 E87 L88 L108 V133 | V86-S110 PolarHBondContact O-N 3.03Å; E87-S110 WeakPolarHBondContact CA-O 3.32Å; L88-S110 PolarHBondContact N-O 3.31Å; L108-S110 WeakPolarHBondContact CD1-O 3.25Å; S110-V133 WeakPolarHBondContact CA-O 3.42Å |
| 111 | L | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 115.1 | 176.1 | 177.3 | 58 | 0 | 0 | 0 | 110.1 | L88 I102 L108 V113 F125 L131 V133 L134 C135 | L88-L111 HydrophobicContact CB-CD1 3.96Å; L88-L111 HydrophobicContact CD2-CD1 3.85Å; L88-L111 HydrophobicContact CG-CD1 3.97Å; L88-L111 WeakPolarHBondContact O-CA 3.42Å; I102-L111 HydrophobicContact CD1-CD2 4.09Å; L108-L111 HydrophobicContact CD2-CB 4.07Å; L108-L111 HydrophobicContact CD2-CD1 4.42Å; L108-L111 HydrophobicContact CD2-CD2 4.17Å; L108-L111 HydrophobicContact CD2-CG 4.46Å; L111-V113 HydrophobicContact CD1-CG1 3.59Å; L111-V113 HydrophobicContact CD2-CG1 4.31Å; L111-V113 HydrophobicContact CG-CG1 3.84Å; L111-F125 HydrophobicContact CD2-CE2 3.64Å; L111-F125 HydrophobicContact CD2-CZ 3.76Å; L111-L131 HydrophobicContact CB-CD1 3.81Å; L111-V133 PolarHBondContact N-O 3.28Å; L111-L134 HydrophobicContact CB-CD1 4.38Å; L111-L134 HydrophobicContact CD2-CD1 4.32Å; L111-L134 HydrophobicContact CG-CD1 4.37Å; L111-C135 PolarHBondContact O-N 3.23Å |
| 112 | D | 98.4 | Very high | 95.6 | Very high | 34 Ų | 34 | 39.8 Ų | 39.8 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 121.1 | 168.1 | -169.2 | -2.2 | 0 | 0 | 0 | 110.1 | L88 D89 I90 S114 C135 | L88-D112 PolarHBondContact O-N 3.06Å; D89-D112 HydrophobicContact CB-CB 4.49Å; I90-D112 WeakPolarHBondContact CG1-O 3.23Å; I90-D112 PolarHBondContact N-O 3.16Å; D112-S114 WeakPolarHBondContact OD1-CB 3.46Å; D112-S114 PolarHBondContact OD1-N 3Å; D112-S114 PolarHBondContact OD1-OG 3.44Å; D112-C135 HydrophobicContact CB-CB 4.01Å; D112-C135 WeakPolarHBondContact OD1-CB 3.38Å |
| 113 | V | 97.7 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | trans | -125.4 | 12.2 | 173.8 | -51.1 | 0 | 0 | 0 | 0 | 112.1 | I90 L98 L111 N116 L118 C135 L136 | I90-V113 HydrophobicContact CD1-CB 4.32Å; I90-V113 HydrophobicContact CD1-CG1 3.7Å; I90-V113 HydrophobicContact CG1-CB 4.23Å; I90-V113 HydrophobicContact CG1-CG1 3.73Å; L98-V113 HydrophobicContact CD1-CG1 4.24Å; L98-V113 HydrophobicContact CD2-CG1 4.37Å; L111-V113 HydrophobicContact CD1-CG1 3.59Å; L111-V113 HydrophobicContact CD2-CG1 4.31Å; L111-V113 HydrophobicContact CG-CG1 3.84Å; V113-N116 WeakPolarHBondContact O-CB 3.45Å; V113-N116 PolarHBondContact O-ND2 2.86Å; V113-L118 HydrophobicContact CB-CD1 3.91Å; V113-L118 HydrophobicContact CG2-CD1 3.65Å; V113-C135 PolarHBondContact N-O 2.89Å; V113-C135 VanDerWaalsContact N-O 3.1Å; V113-L136 HydrophobicContact CG2-CD2 3.46Å; V113-L136 VanDerWaalsContact CG2-CD2 3.46Å | ||
| 114 | S | 98 | Very high | 95 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | trans | -52.9 | 148 | -173.8 | -54 | 0 | 0 | 0 | 0 | 112.2 | S91 R92 D112 N116 N137 | S91-S114 CarbonylContact C-O 3.6Å; S91-S114 WeakPolarHBondContact CA-O 3.49Å; S91-S114 WeakPolarHBondContact CB-O 3.32Å; R92-S114 PolarHBondContact N-O 2.9Å; D112-S114 WeakPolarHBondContact OD1-CB 3.46Å; D112-S114 PolarHBondContact OD1-N 3Å; D112-S114 PolarHBondContact OD1-OG 3.44Å; S114-N116 VanDerWaalsContact C-N 3.3Å; S114-N116 PolarHBondContact O-N 2.94Å; S114-N116 PolarHBondContact O-ND2 3.03Å; S114-N137 CarbonylContact C-O 3.41Å; S114-N137 WeakPolarHBondContact CA-O 3.31Å; S114-N137 WeakPolarHBondContact CB-O 3.41Å; S114-N137 PolarHBondContact OG-N 2.94Å | ||
| 115 | N | 96.8 | Very high | 95 | Very high | 21 Ų | 21 | 36.4 Ų | 36.4 | 11% | 0.112 | 22% | 0.22 | C | C | . | . | S | Bend | trans | 58.2 | 41 | 176.2 | -42 | 93.7 | 0 | 0 | 0 | 112.9 | R92 N137 D138 K1415 | R92-N115 WeakPolarHBondContact CA-O 3.44Å; R92-N115 HydrophobicContact CB-CB 4.24Å; R92-N115 HydrophobicContact CG-CB 3.18Å; R92-N115 VanDerWaalsContact CZ-OD1 3.31Å; R92-N115 PolarHBondContact NE-ND2 2.87Å; R92-N115 PolarHBondContact NE-OD1 2.73Å; R92-N115 PolarHBondContact NH2-OD1 2.86Å; N115-N137 PolarHBondContact N-O 2.96Å; N115-D138 WeakPolarHBondContact CA-O 3.5Å; N115-D138 HydrophobicContact CB-CB 4.41Å; N115-D138 PolarHBondContact N-O 2.82Å; N115-D138 WeakPolarHBondContact ND2-CB 3.48Å; N115-D138 PolarHBondContact ND2-OD2 3.05Å; N115-K1415 WeakPolarHBondContact ND2-CE 3.31Å |
| 116 | N | 96.1 | Very high | 95 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.011 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -119.9 | 142.4 | 166.4 | -78.1 | -93.1 | 0 | 0 | 0 | 107.4 | I90 N93 I95 V113 S114 L118 I139 | I90-N116 PolarHBondContact O-ND2 3.41Å; N93-N116 WeakPolarHBondContact CA-OD1 3.46Å; N93-N116 WeakPolarHBondContact CB-OD1 3.48Å; N93-N116 PolarHBondContact N-OD1 2.88Å; N93-N116 PolarHBondContact O-OD1 3.43Å; I95-N116 HydrophobicContact CB-CB 4.25Å; I95-N116 WeakPolarHBondContact CB-OD1 3.33Å; I95-N116 WeakPolarHBondContact CG1-OD1 3.34Å; I95-N116 PolarHBondContact N-OD1 3.01Å; V113-N116 WeakPolarHBondContact O-CB 3.45Å; V113-N116 PolarHBondContact O-ND2 2.86Å; S114-N116 VanDerWaalsContact C-N 3.3Å; S114-N116 PolarHBondContact O-N 2.94Å; S114-N116 PolarHBondContact O-ND2 3.03Å; N116-L118 HydrophobicContact CB-CD1 4.24Å; N116-L118 HydrophobicContact CB-CG 4Å; N116-L118 PolarHBondContact O-N 2.91Å; N116-I139 WeakPolarHBondContact O-CA 3.35Å; N116-I139 VanDerWaalsContact O-CB 3.29Å; N116-I139 WeakPolarHBondContact O-CB 3.42Å; N116-I139 WeakPolarHBondContact O-CG2 3.01Å |
| 117 | P | 92.9 | Very high | 95.1 | Very high | 65 Ų | 65 | 37.7 Ų | 37.7 | 42% | 0.422 | 22% | 0.224 | S | C | . | . | trans | -73.7 | 58.8 | -176.1 | 31.4 | -37.1 | 0 | 0 | 0 | 113.7 | I95 Q119 | I95-P117 WeakPolarHBondContact O-CD 3.18Å; P117-Q119 PolarHBondContact O-N 2.79Å | ||
| 118 | L | 90.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -90.5 | 91.5 | -178.1 | -61.3 | 172.9 | 0 | 0 | 0 | 111.3 | I95 L98 V113 N116 S120 I139 | I95-L118 HydrophobicContact CG2-CD2 4.11Å; I95-L118 VanDerWaalsContact O-CD2 3.23Å; I95-L118 WeakPolarHBondContact O-CD2 3.06Å; L98-L118 HydrophobicContact CD1-CD1 3.99Å; L98-L118 HydrophobicContact CD2-CD1 4.27Å; L98-L118 HydrophobicContact CD2-CD2 4.43Å; L98-L118 HydrophobicContact CG-CD1 3.89Å; L98-L118 HydrophobicContact CG-CD2 3.94Å; V113-L118 HydrophobicContact CB-CD1 3.91Å; V113-L118 HydrophobicContact CG2-CD1 3.65Å; N116-L118 HydrophobicContact CB-CD1 4.24Å; N116-L118 HydrophobicContact CB-CG 4Å; N116-L118 PolarHBondContact O-N 2.91Å; L118-S120 PolarHBondContact O-N 3.03Å; L118-I139 CarbonylContact C-O 3.57Å; L118-I139 VanDerWaalsContact C-O 3.28Å; L118-I139 HydrophobicContact CB-CB 4.12Å; L118-I139 HydrophobicContact CB-CD1 4.23Å; L118-I139 PolarHBondContact N-O 3.11Å; L118-I139 VanDerWaalsContact N-O 3.14Å; L118-I139 VanDerWaalsContact O-O 3.09Å | ||
| 119 | Q | 88.1 | Confident | 95 | Very high | 161 Ų | 161 | 44.2 Ų | 44.2 | 75% | 0.752 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -61.9 | -16.7 | 177.7 | -62.9 | 179.4 | -4.9 | 0 | 0 | 114.4 | P117 | P117-Q119 PolarHBondContact O-N 2.79Š|
| 120 | S | 92.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 43.6 Ų | 43.6 | 52% | 0.524 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -162.9 | 160.3 | 178.6 | 57.4 | 0 | 0 | 0 | 0 | 112.7 | L118 | L118-S120 PolarHBondContact O-N 3.03Š|
| 121 | L | 95 | Very high | 94.9 | Very high | 20 Ų | 20 | 42 Ų | 42 | 11% | 0.105 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -86.9 | 145.2 | 170.4 | -65.9 | 174.9 | 0 | 0 | 0 | 111.4 | L98 F125 L136 I141 P145 | L98-L121 HydrophobicContact CD1-CD2 4.31Å; L121-F125 HydrophobicContact CB-CB 4.32Å; L121-F125 HydrophobicContact CB-CD1 4.46Å; L121-F125 HydrophobicContact CB-CG 4.22Å; L121-F125 HydrophobicContact CD1-CD1 3.9Å; L121-F125 HydrophobicContact CD1-CE1 3.87Å; L121-F125 HydrophobicContact CD1-CG 4.43Å; L121-F125 HydrophobicContact CD1-CZ 4.37Å; L121-F125 HydrophobicContact CD2-CD2 4.18Å; L121-F125 HydrophobicContact CD2-CE1 4.36Å; L121-F125 HydrophobicContact CD2-CE2 3.97Å; L121-F125 HydrophobicContact CD2-CG 4.45Å; L121-F125 HydrophobicContact CD2-CZ 4.06Å; L121-L136 HydrophobicContact CD1-CD1 4.24Å; L121-L136 HydrophobicContact CD2-CD2 3.89Å; L121-I141 HydrophobicContact CD1-CD1 4.5Å; L121-I141 HydrophobicContact CG-CD1 4.05Å; L121-P145 HydrophobicContact CD1-CG 4.26Å |
| 122 | P | 94.8 | Very high | 94.9 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 14% | 0.143 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -77 | 153.4 | -171.5 | 30.2 | -35.9 | 0 | 0 | 0 | 113.7 | L98 A100 I102 G124 F125 | L98-P122 HydrophobicContact CB-CG 3.84Å; L98-P122 WeakPolarHBondContact O-CB 3.44Å; A100-P122 HydrophobicContact CB-CB 4.38Å; I102-P122 HydrophobicContact CG2-CG 4.11Å; P122-G124 PolarHBondContact O-N 2.79Å; P122-G124 VanDerWaalsContact O-N 3.13Å; P122-F125 HydrophobicContact CG-CB 4.22Å; P122-F125 HydrophobicContact CG-CD2 4.19Å; P122-F125 WeakPolarHBondContact O-CB 3.35Å; P122-F125 PolarHBondContact O-N 2.87Å |
| 123 | A | 89.1 | Confident | 94.9 | Very high | 80 Ų | 80 | 46.1 Ų | 46.1 | 66% | 0.661 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 118.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 124 | G | 89.7 | Confident | 94.9 | Very high | 25 Ų | 25 | 46 Ų | 46 | 26% | 0.258 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | 12.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | R103 P122 C126 Q127 | R103-G124 WeakPolarHBondContact CB-O 3.32Å; P122-G124 PolarHBondContact O-N 2.79Å; P122-G124 VanDerWaalsContact O-N 3.13Å; G124-C126 VanDerWaalsContact C-N 3.27Å; G124-C126 PolarHBondContact O-N 3.18Å; G124-Q127 VanDerWaalsContact O-CB 3.27Å; G124-Q127 WeakPolarHBondContact O-CB 3.36Å; G124-Q127 VanDerWaalsContact O-CG 3.32Å; G124-Q127 WeakPolarHBondContact O-CG 3.28Å; G124-Q127 PolarHBondContact O-N 3.05Å; G124-Q127 VanDerWaalsContact O-N 3.11Å |
| 125 | F | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 1% | 0.013 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -52 | -44.7 | 171.5 | -178.7 | -92.2 | 0 | 0 | 0 | 112.2 | L98 I102 L111 L121 P122 Q127 L128 L134 L151 | L98-F125 HydrophobicContact CD1-CE2 4.31Å; I102-F125 HydrophobicContact CG2-CD2 4.31Å; L111-F125 HydrophobicContact CD2-CE2 3.64Å; L111-F125 HydrophobicContact CD2-CZ 3.76Å; L121-F125 HydrophobicContact CB-CB 4.32Å; L121-F125 HydrophobicContact CB-CD1 4.46Å; L121-F125 HydrophobicContact CB-CG 4.22Å; L121-F125 HydrophobicContact CD1-CD1 3.9Å; L121-F125 HydrophobicContact CD1-CE1 3.87Å; L121-F125 HydrophobicContact CD1-CG 4.43Å; L121-F125 HydrophobicContact CD1-CZ 4.37Å; L121-F125 HydrophobicContact CD2-CD2 4.18Å; L121-F125 HydrophobicContact CD2-CE1 4.36Å; L121-F125 HydrophobicContact CD2-CE2 3.97Å; L121-F125 HydrophobicContact CD2-CG 4.45Å; L121-F125 HydrophobicContact CD2-CZ 4.06Å; P122-F125 HydrophobicContact CG-CB 4.22Å; P122-F125 HydrophobicContact CG-CD2 4.19Å; P122-F125 WeakPolarHBondContact O-CB 3.35Å; P122-F125 PolarHBondContact O-N 2.87Å; F125-Q127 PolarHBondContact O-N 2.78Å; F125-L128 HydrophobicContact CD2-CD1 4.18Å; F125-L128 HydrophobicContact CE2-CD1 4.08Å; F125-L128 HydrophobicContact CZ-CD1 4.39Å; F125-L128 WeakPolarHBondContact O-CB 3.27Å; F125-L128 WeakPolarHBondContact O-CG 3.33Å; F125-L128 PolarHBondContact O-N 3.49Å; F125-L128 VanDerWaalsContact O-N 3.1Å; F125-L134 HydrophobicContact CE1-CD1 4.45Å; F125-L134 HydrophobicContact CE1-CD2 3.87Å; F125-L134 HydrophobicContact CZ-CD1 3.9Å; F125-L134 HydrophobicContact CZ-CD2 4.17Å; F125-L151 HydrophobicContact CE1-CD1 4.43Å |
| 126 | C | 95.2 | Very high | 95 | Very high | 11 Ų | 11 | 45.5 Ų | 45.5 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -66.4 | 3.6 | 179.4 | -40.9 | 0 | 0 | 0 | 0 | 114.5 | G124 L128 E147 S150 | G124-C126 VanDerWaalsContact C-N 3.27Å; G124-C126 PolarHBondContact O-N 3.18Å; C126-L128 VanDerWaalsContact C-N 3.26Å; C126-E147 HydrophobicContact CB-CB 4.38Å; C126-E147 WeakPolarHBondContact CB-O 3.25Å; C126-S150 VanDerWaalsContact CB-OG 3.3Å; C126-S150 WeakPolarHBondContact CB-OG 3.24Å; C126-S150 PolarHBondContact O-OG 3.35Å |
| 127 | Q | 94.7 | Very high | 95.1 | Very high | 110 Ų | 110 | 46.5 Ų | 46.5 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -79.1 | -8.4 | 169.3 | -60.4 | 177.7 | 4.2 | 0 | 0 | 112.8 | R103 G124 F125 R129 | R103-Q127 HydrophobicContact CB-CB 4.25Å; G124-Q127 VanDerWaalsContact O-CB 3.27Å; G124-Q127 WeakPolarHBondContact O-CB 3.36Å; G124-Q127 VanDerWaalsContact O-CG 3.32Å; G124-Q127 WeakPolarHBondContact O-CG 3.28Å; G124-Q127 PolarHBondContact O-N 3.05Å; G124-Q127 VanDerWaalsContact O-N 3.11Å; F125-Q127 PolarHBondContact O-N 2.78Å; Q127-R129 PolarHBondContact O-N 3.25Å |
| 128 | L | 96.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | trans | -71.3 | 57.4 | 173.1 | -66.7 | 170.5 | 0 | 0 | 0 | 112.1 | I102 C105 L108 F125 C126 N130 L131 L151 | I102-L128 WeakPolarHBondContact O-CD2 3.45Å; C105-L128 HydrophobicContact CB-CD2 4.3Å; L108-L128 HydrophobicContact CB-CD2 4.26Å; L108-L128 HydrophobicContact CD2-CD1 4.15Å; L108-L128 HydrophobicContact CD2-CD2 4.24Å; F125-L128 HydrophobicContact CD2-CD1 4.18Å; F125-L128 HydrophobicContact CE2-CD1 4.08Å; F125-L128 HydrophobicContact CZ-CD1 4.39Å; F125-L128 WeakPolarHBondContact O-CB 3.27Å; F125-L128 WeakPolarHBondContact O-CG 3.33Å; F125-L128 PolarHBondContact O-N 3.49Å; F125-L128 VanDerWaalsContact O-N 3.1Å; C126-L128 VanDerWaalsContact C-N 3.26Å; L128-N130 PolarHBondContact O-N 2.72Å; L128-L131 HydrophobicContact CB-CB 4.44Å; L128-L131 VanDerWaalsContact O-CB 3.23Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.01Å; L128-L151 HydrophobicContact CB-CD2 4.38Å; L128-L151 VanDerWaalsContact O-CD2 3.32Å; L128-L151 WeakPolarHBondContact O-CD2 3.26Å | ||
| 129 | R | 95.5 | Very high | 95.4 | Very high | 176 Ų | 176 | 45.9 Ų | 45.9 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9.1 | -169.2 | -67.9 | 179.4 | 179.4 | -177.9 | -2.5 | 116.4 | Q127 | Q127-R129 PolarHBondContact O-N 3.25Š|
| 130 | N | 97.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 41.4 Ų | 41.4 | 38% | 0.38 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -1.3 | 174.9 | -71.6 | -55.3 | 0 | 0 | 0 | 113 | D106 L108 Q109 L128 R132 | D106-N130 PolarHBondContact O-ND2 3.09Å; L108-N130 CarbonylContact O-C 3.49Å; Q109-N130 WeakPolarHBondContact CA-O 3.36Å; Q109-N130 WeakPolarHBondContact CG-O 3.47Å; L128-N130 PolarHBondContact O-N 2.72Å; N130-R132 PolarHBondContact O-N 3.21Å |
| 131 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -65.8 | 130 | -178 | -156.4 | 73.2 | 0 | 0 | 0 | 110.9 | L108 L111 L128 L134 L151 L153 L154 | L108-L131 HydrophobicContact CD2-CD1 4.21Å; L108-L131 HydrophobicContact CG-CD1 4.06Å; L108-L131 WeakPolarHBondContact O-CA 3.44Å; L108-L131 PolarHBondContact O-N 2.94Å; L111-L131 HydrophobicContact CB-CD1 3.81Å; L128-L131 HydrophobicContact CB-CB 4.44Å; L128-L131 VanDerWaalsContact O-CB 3.23Å; L128-L131 WeakPolarHBondContact O-CB 3.46Å; L128-L131 PolarHBondContact O-N 3.01Å; L131-L134 HydrophobicContact CD2-CB 3.85Å; L131-L134 HydrophobicContact CD2-CD1 4.13Å; L131-L134 HydrophobicContact CD2-CD2 3.93Å; L131-L134 HydrophobicContact CD2-CG 4.19Å; L131-L151 HydrophobicContact CB-CD2 4.42Å; L131-L151 HydrophobicContact CD2-CD1 4.15Å; L131-L153 CarbonylContact O-C 3.45Å; L131-L154 HydrophobicContact CD2-CD1 4.28Å; L131-L154 HydrophobicContact CG-CD1 4.24Å; L131-L154 WeakPolarHBondContact O-CA 3.15Å; L131-L154 PolarHBondContact O-N 3.44Å | ||
| 132 | R | 98.5 | Very high | 95.6 | Very high | 77 Ų | 77 | 39.8 Ų | 39.8 | 29% | 0.291 | 23% | 0.225 | S | C | . | . | trans | -117.7 | -39.1 | -177.3 | -76.4 | 169.1 | 164 | -94.3 | -24.2 | 111.8 | Q109 N130 L153 E155 K156 | Q109-R132 WeakPolarHBondContact O-CA 3.4Å; Q109-R132 PolarHBondContact O-N 2.99Å; N130-R132 PolarHBondContact O-N 3.21Å; R132-L153 WeakPolarHBondContact CA-O 3.43Å; R132-L153 WeakPolarHBondContact CG-O 3.35Å; R132-E155 WeakPolarHBondContact CG-OE2 3.27Å; R132-E155 IonicContact CZ-OE1 2.69Å; R132-E155 IonicContact CZ-OE2 2.99Å; R132-E155 IonicContact NE-OE2 3.08Å; R132-E155 IonicContact NH1-OE1 3.18Å; R132-E155 PolarHBondContact NH1-OE1 2.93Å; R132-E155 IonicContact NH1-OE2 3.51Å; R132-E155 PolarHBondContact NH1-OE2 2.81Å; R132-E155 IonicContact NH2-OE1 3.45Å; R132-E155 PolarHBondContact NH2-OE1 2.65Å; R132-E155 VanDerWaalsContact NH2-OE1 3.17Å; R132-E155 PolarHBondContact O-N 2.77Å; R132-K156 PolarHBondContact O-N 2.82Å | ||
| 133 | V | 98.6 | Very high | 95.6 | Very high | 43 Ų | 43 | 46.2 Ų | 46.2 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 127.1 | 177.5 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | Q109 S110 L111 K156 | Q109-V133 PolarHBondContact O-N 2.68Å; S110-V133 WeakPolarHBondContact CA-O 3.42Å; L111-V133 PolarHBondContact N-O 3.28Å; V133-K156 WeakPolarHBondContact CA-O 3.37Å; V133-K156 HydrophobicContact CG1-CB 4.33Å; V133-K156 HydrophobicContact CG1-CD 4.44Å; V133-K156 HydrophobicContact CG1-CG 4.28Å; V133-K156 HydrophobicContact CG2-CB 4.33Å |
| 134 | L | 98.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 111.4 | 176.8 | 177.9 | 51.4 | 0 | 0 | 0 | 110.2 | L111 F125 L131 L136 L151 L154 K156 L157 E158 | L111-L134 HydrophobicContact CB-CD1 4.38Å; L111-L134 HydrophobicContact CD2-CD1 4.32Å; L111-L134 HydrophobicContact CG-CD1 4.37Å; F125-L134 HydrophobicContact CE1-CD1 4.45Å; F125-L134 HydrophobicContact CE1-CD2 3.87Å; F125-L134 HydrophobicContact CZ-CD1 3.9Å; F125-L134 HydrophobicContact CZ-CD2 4.17Å; L131-L134 HydrophobicContact CD2-CB 3.85Å; L131-L134 HydrophobicContact CD2-CD1 4.13Å; L131-L134 HydrophobicContact CD2-CD2 3.93Å; L131-L134 HydrophobicContact CD2-CG 4.19Å; L134-L136 HydrophobicContact CD1-CD1 4Å; L134-L136 HydrophobicContact CD1-CD2 4.03Å; L134-L136 HydrophobicContact CD1-CG 3.75Å; L134-L136 HydrophobicContact CD2-CD1 3.79Å; L134-L136 HydrophobicContact CD2-CG 4.46Å; L134-L136 HydrophobicContact CG-CD1 3.7Å; L134-L136 HydrophobicContact CG-CG 3.86Å; L134-L151 HydrophobicContact CD2-CD1 4.27Å; L134-L154 HydrophobicContact CB-CD1 3.78Å; L134-K156 PolarHBondContact N-O 2.91Å; L134-L157 HydrophobicContact CB-CD1 4.06Å; L134-L157 HydrophobicContact CD2-CD1 4.03Å; L134-L157 HydrophobicContact CG-CD1 3.94Å; L134-L157 WeakPolarHBondContact O-CA 3.4Å; L134-E158 PolarHBondContact O-N 2.99Å |
| 135 | C | 98.5 | Very high | 96.2 | Very high | 12 Ų | 12 | 43.5 Ų | 43.5 | 8% | 0.081 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 118 | 177.4 | -61 | 0 | 0 | 0 | 0 | 109.9 | L111 D112 V113 E158 | L111-C135 PolarHBondContact O-N 3.23Å; D112-C135 HydrophobicContact CB-CB 4.01Å; D112-C135 WeakPolarHBondContact OD1-CB 3.38Å; V113-C135 PolarHBondContact N-O 2.89Å; V113-C135 VanDerWaalsContact N-O 3.1Å; C135-E158 VanDerWaalsContact SG-CD 3.55Å; C135-E158 PolarHBondContact SG-OE2 3.13Å |
| 136 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -129.7 | 25.6 | -173.8 | -69 | 168.4 | 0 | 0 | 0 | 111.2 | V113 L121 L134 I139 L157 E158 L159 N162 | V113-L136 HydrophobicContact CG2-CD2 3.46Å; V113-L136 VanDerWaalsContact CG2-CD2 3.46Å; L121-L136 HydrophobicContact CD1-CD1 4.24Å; L121-L136 HydrophobicContact CD2-CD2 3.89Å; L134-L136 HydrophobicContact CD1-CD1 4Å; L134-L136 HydrophobicContact CD1-CD2 4.03Å; L134-L136 HydrophobicContact CD1-CG 3.75Å; L134-L136 HydrophobicContact CD2-CD1 3.79Å; L134-L136 HydrophobicContact CD2-CG 4.46Å; L134-L136 HydrophobicContact CG-CD1 3.7Å; L134-L136 HydrophobicContact CG-CG 3.86Å; L136-I139 HydrophobicContact CB-CD1 3.98Å; L136-I139 HydrophobicContact CD2-CD1 3.64Å; L136-I139 HydrophobicContact CG-CD1 4.37Å; L136-I139 WeakPolarHBondContact O-CG1 3.33Å; L136-L157 HydrophobicContact CD1-CD1 4.31Å; L136-E158 WeakPolarHBondContact CA-O 3.27Å; L136-E158 WeakPolarHBondContact CB-O 3.13Å; L136-E158 PolarHBondContact N-O 2.9Å; L136-L159 HydrophobicContact CB-CD2 3.79Å; L136-L159 HydrophobicContact CD1-CD2 3.69Å; L136-L159 HydrophobicContact CG-CD2 4.39Å; L136-N162 PolarHBondContact O-ND2 2.87Å | ||
| 137 | N | 97.3 | Very high | 96.1 | Very high | 24 Ų | 24 | 55.2 Ų | 55.2 | 13% | 0.128 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 142.1 | -175 | -52.6 | -52.6 | 0 | 0 | 0 | 111 | S114 N115 I139 E158 L159 R160 | S114-N137 CarbonylContact C-O 3.41Å; S114-N137 WeakPolarHBondContact CA-O 3.31Å; S114-N137 WeakPolarHBondContact CB-O 3.41Å; S114-N137 PolarHBondContact OG-N 2.94Å; N115-N137 PolarHBondContact N-O 2.96Å; N137-I139 PolarHBondContact O-N 2.89Å; N137-E158 PolarHBondContact ND2-OE2 2.75Å; N137-E158 VanDerWaalsContact OD1-C 3.26Å; N137-E158 WeakPolarHBondContact OD1-CB 3.44Å; N137-L159 PolarHBondContact OD1-N 3Å; N137-R160 CarbonylContact C-O 3.5Å; N137-R160 WeakPolarHBondContact CA-O 3.38Å; N137-R160 HydrophobicContact CB-CB 4.49Å; N137-R160 PolarHBondContact OD1-N 2.92Å |
| 138 | D | 96.4 | Very high | 96.1 | Very high | 51 Ų | 51 | 50 Ų | 50 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55 | 47.1 | 172.8 | -171.3 | 19.3 | 0 | 0 | 0 | 113.3 | N115 R160 D161 K1415 | N115-D138 WeakPolarHBondContact CA-O 3.5Å; N115-D138 HydrophobicContact CB-CB 4.41Å; N115-D138 PolarHBondContact N-O 2.82Å; N115-D138 WeakPolarHBondContact ND2-CB 3.48Å; N115-D138 PolarHBondContact ND2-OD2 3.05Å; D138-R160 PolarHBondContact N-O 3.2Å; D138-D161 VanDerWaalsContact CA-O 3.27Å; D138-D161 WeakPolarHBondContact CA-O 3.24Å; D138-D161 HydrophobicContact CB-CB 3.77Å; D138-K1415 WeakPolarHBondContact OD2-CE 3.32Å; D138-K1415 IonicContact OD2-NZ 2.75Å; D138-K1415 PolarHBondContact OD2-NZ 3.1Å |
| 139 | I | 95.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -107.1 | -4.7 | 177 | 70.9 | 171.1 | 0 | 0 | 0 | 114 | N116 L118 L136 N137 I141 N162 | N116-I139 WeakPolarHBondContact O-CA 3.35Å; N116-I139 VanDerWaalsContact O-CB 3.29Å; N116-I139 WeakPolarHBondContact O-CB 3.42Å; N116-I139 WeakPolarHBondContact O-CG2 3.01Å; L118-I139 CarbonylContact C-O 3.57Å; L118-I139 VanDerWaalsContact C-O 3.28Å; L118-I139 HydrophobicContact CB-CB 4.12Å; L118-I139 HydrophobicContact CB-CD1 4.23Å; L118-I139 PolarHBondContact N-O 3.11Å; L118-I139 VanDerWaalsContact N-O 3.14Å; L118-I139 VanDerWaalsContact O-O 3.09Å; L136-I139 HydrophobicContact CB-CD1 3.98Å; L136-I139 HydrophobicContact CD2-CD1 3.64Å; L136-I139 HydrophobicContact CG-CD1 4.37Å; L136-I139 WeakPolarHBondContact O-CG1 3.33Å; N137-I139 PolarHBondContact O-N 2.89Å; I139-I141 VanDerWaalsContact C-N 3.32Å; I139-I141 HydrophobicContact CD1-CB 3.85Å; I139-I141 HydrophobicContact CD1-CD1 4.32Å; I139-I141 HydrophobicContact CD1-CG2 3.87Å; I139-I141 HydrophobicContact CG1-CB 3.81Å; I139-I141 HydrophobicContact CG1-CG2 3.77Å; I139-N162 WeakPolarHBondContact CG1-OD1 3.2Å; I139-N162 PolarHBondContact N-OD1 2.84Å; I139-N162 VanDerWaalsContact N-OD1 3.08Å |
| 140 | S | 91.6 | Very high | 96.1 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 47% | 0.469 | 24% | 0.236 | S | C | . | . | trans | 62.1 | 33.9 | -173.9 | -48.5 | 0 | 0 | 0 | 0 | 113.6 | N162 | S140-N162 PolarHBondContact N-OD1 2.89Š| ||
| 141 | I | 94.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.218 | C | C | . | . | trans | -78.3 | 134.4 | 174.3 | -165 | 163.2 | 0 | 0 | 0 | 110.3 | L121 I139 E143 L144 N162 C163 L164 | L121-I141 HydrophobicContact CD1-CD1 4.5Å; L121-I141 HydrophobicContact CG-CD1 4.05Å; I139-I141 VanDerWaalsContact C-N 3.32Å; I139-I141 HydrophobicContact CD1-CB 3.85Å; I139-I141 HydrophobicContact CD1-CD1 4.32Å; I139-I141 HydrophobicContact CD1-CG2 3.87Å; I139-I141 HydrophobicContact CG1-CB 3.81Å; I139-I141 HydrophobicContact CG1-CG2 3.77Å; I141-E143 WeakPolarHBondContact CD1-O 3.23Å; I141-E143 WeakPolarHBondContact CG1-O 3.28Å; I141-L144 HydrophobicContact CD1-CD2 4.2Å; I141-N162 HydrophobicContact CG2-CB 4.14Å; I141-N162 PolarHBondContact N-OD1 3.14Å; I141-N162 VanDerWaalsContact N-OD1 3.17Å; I141-C163 PolarHBondContact O-N 3.38Å; I141-L164 HydrophobicContact CG2-CD2 4.26Å | ||
| 142 | A | 93.8 | Very high | 96 | Very high | 62 Ų | 62 | 45.3 Ų | 45.3 | 51% | 0.512 | 24% | 0.241 | S | C | . | . | trans | -103.4 | -22.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | C163 | A142-C163 HydrophobicContact CB-CB 4.31Š| ||
| 143 | E | 94.7 | Very high | 96 | Very high | 157 Ų | 157 | 44.4 Ų | 44.4 | 73% | 0.734 | 24% | 0.242 | S | C | * | . | trans | -145.8 | 142.1 | 178.2 | 63.1 | -176.4 | -165.4 | 0 | 0 | 110.9 | I141 | I141-E143 WeakPolarHBondContact CD1-O 3.23Å; I141-E143 WeakPolarHBondContact CG1-O 3.28Å | ||
| 144 | L | 95.4 | Very high | 95.9 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 7% | 0.068 | 23% | 0.229 | C | C | . | . | trans | -90.7 | 147.9 | 171.1 | -67.7 | 171.9 | 0 | 0 | 0 | 109.9 | I141 E146 L159 L164 P168 F171 | I141-L144 HydrophobicContact CD1-CD2 4.2Å; L144-E146 PolarHBondContact O-N 3.16Å; L144-L159 HydrophobicContact CD1-CD1 3.79Å; L144-L159 HydrophobicContact CD1-CD2 4.37Å; L144-L159 HydrophobicContact CD2-CD2 3.92Å; L144-L164 HydrophobicContact CD1-CD1 4.23Å; L144-L164 HydrophobicContact CG-CD1 4.43Å; L144-L164 HydrophobicContact CG-CD2 4.1Å; L144-P168 HydrophobicContact CB-CG 4.34Å; L144-F171 HydrophobicContact CD1-CE2 3.63Å; L144-F171 HydrophobicContact CD1-CZ 3.57Å | ||
| 145 | P | 95.1 | Very high | 95.9 | Very high | 34 Ų | 34 | 44.7 Ų | 44.7 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | trans | -63.2 | 136 | 177.9 | 25.4 | -32.8 | 0 | 0 | 0 | 111 | L121 E147 I148 | L121-P145 HydrophobicContact CD1-CG 4.26Å; P145-E147 PolarHBondContact O-N 2.85Å; P145-I148 HydrophobicContact CG-CB 4.31Å; P145-I148 HydrophobicContact CG-CD1 4.33Å; P145-I148 VanDerWaalsContact O-CB 3.24Å; P145-I148 WeakPolarHBondContact O-CB 3.36Å; P145-I148 VanDerWaalsContact O-CG2 3.32Å; P145-I148 WeakPolarHBondContact O-CG2 3.34Å; P145-I148 PolarHBondContact O-N 3.31Å | ||
| 146 | E | 93.7 | Very high | 95.9 | Very high | 132 Ų | 132 | 47 Ų | 47 | 62% | 0.617 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.6 | -179.6 | -71.8 | -70.5 | 177.3 | 0 | 0 | 113.3 | L144 I148 P168 S170 | L144-E146 PolarHBondContact O-N 3.16Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 2.85Å; E146-P168 WeakPolarHBondContact OE2-CB 3.07Å; E146-S170 WeakPolarHBondContact O-CB 3.45Å; E146-S170 PolarHBondContact O-OG 3.01Å |
| 147 | E | 95.2 | Very high | 96 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 60% | 0.598 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | 10.1 | 176.7 | -51.3 | 91.3 | 161.8 | 0 | 0 | 114.9 | C126 P145 G149 S150 | C126-E147 HydrophobicContact CB-CB 4.38Å; C126-E147 WeakPolarHBondContact CB-O 3.25Å; P145-E147 PolarHBondContact O-N 2.85Å; E147-G149 PolarHBondContact O-N 3.26Å; E147-S150 WeakPolarHBondContact O-CB 3.36Å; E147-S150 PolarHBondContact O-N 3.17Å; E147-S150 PolarHBondContact O-OG 3.32Å |
| 148 | I | 96.4 | Very high | 96 | Very high | 1 Ų | 1 | 47.6 Ų | 47.6 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -56.4 | -35.1 | -177.7 | -167.3 | 69.1 | 0 | 0 | 0 | 113 | P145 E146 S150 L151 P168 F171 | P145-I148 HydrophobicContact CG-CB 4.31Å; P145-I148 HydrophobicContact CG-CD1 4.33Å; P145-I148 VanDerWaalsContact O-CB 3.24Å; P145-I148 WeakPolarHBondContact O-CB 3.36Å; P145-I148 VanDerWaalsContact O-CG2 3.32Å; P145-I148 WeakPolarHBondContact O-CG2 3.34Å; P145-I148 PolarHBondContact O-N 3.31Å; E146-I148 VanDerWaalsContact C-N 3.34Å; E146-I148 PolarHBondContact O-N 2.85Å; I148-S150 PolarHBondContact O-N 3.48Å; I148-L151 HydrophobicContact CD1-CD1 3.71Å; I148-L151 WeakPolarHBondContact O-CB 3.43Å; I148-L151 WeakPolarHBondContact O-CG 3.24Å; I148-L151 PolarHBondContact O-N 3.01Å; I148-P168 HydrophobicContact CG2-CG 3.71Å; I148-F171 HydrophobicContact CG2-CD2 3.76Å; I148-F171 HydrophobicContact CG2-CE2 3.63Å |
| 149 | G | 95.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -55 | -18.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116 | E147 L151 S170 D173 | E147-G149 PolarHBondContact O-N 3.26Å; G149-L151 PolarHBondContact O-N 2.96Å; G149-S170 WeakPolarHBondContact CA-O 3.35Å; G149-S170 PolarHBondContact N-OG 2.95Å; G149-D173 WeakPolarHBondContact O-CB 3.44Å |
| 150 | S | 96.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 46.3 Ų | 46.3 | 32% | 0.315 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -71.1 | -7.3 | 175.7 | 65.8 | 0 | 0 | 0 | 0 | 114.4 | C126 E147 I148 Q152 | C126-S150 VanDerWaalsContact CB-OG 3.3Å; C126-S150 WeakPolarHBondContact CB-OG 3.24Å; C126-S150 PolarHBondContact O-OG 3.35Å; E147-S150 WeakPolarHBondContact O-CB 3.36Å; E147-S150 PolarHBondContact O-N 3.17Å; E147-S150 PolarHBondContact O-OG 3.32Å; I148-S150 PolarHBondContact O-N 3.48Å; S150-Q152 PolarHBondContact O-N 3.49Å |
| 151 | L | 97.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.235 | C | C | . | . | trans | -79.9 | 56.7 | 168 | -59.6 | -178.7 | 0 | 0 | 0 | 111.2 | F125 L128 L131 L134 I148 G149 L153 L154 L174 | F125-L151 HydrophobicContact CE1-CD1 4.43Å; L128-L151 HydrophobicContact CB-CD2 4.38Å; L128-L151 VanDerWaalsContact O-CD2 3.32Å; L128-L151 WeakPolarHBondContact O-CD2 3.26Å; L131-L151 HydrophobicContact CB-CD2 4.42Å; L131-L151 HydrophobicContact CD2-CD1 4.15Å; L134-L151 HydrophobicContact CD2-CD1 4.27Å; I148-L151 HydrophobicContact CD1-CD1 3.71Å; I148-L151 WeakPolarHBondContact O-CB 3.43Å; I148-L151 WeakPolarHBondContact O-CG 3.24Å; I148-L151 PolarHBondContact O-N 3.01Å; G149-L151 PolarHBondContact O-N 2.96Å; L151-L153 PolarHBondContact O-N 2.87Å; L151-L154 HydrophobicContact CB-CB 4.28Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 2.74Å; L151-L174 HydrophobicContact CB-CD2 4.29Å; L151-L174 WeakPolarHBondContact O-CD2 3.4Å | ||
| 152 | Q | 95.8 | Very high | 96.6 | Very high | 106 Ų | 106 | 46.4 Ų | 46.4 | 50% | 0.495 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -10.1 | -170.6 | -63.7 | -177.3 | -39 | 0 | 0 | 115.6 | S150 H176 | S150-Q152 PolarHBondContact O-N 3.49Å; Q152-H176 PolarHBondContact O-CD2 3.03Å |
| 153 | L | 97.5 | Very high | 96.7 | Very high | 57 Ų | 57 | 45.6 Ų | 45.6 | 30% | 0.298 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 7.2 | 174.9 | -59.9 | -173.5 | 0 | 0 | 0 | 113.1 | L131 R132 L151 E155 | L131-L153 CarbonylContact O-C 3.45Å; R132-L153 WeakPolarHBondContact CA-O 3.43Å; R132-L153 WeakPolarHBondContact CG-O 3.35Å; L151-L153 PolarHBondContact O-N 2.87Å; L153-E155 PolarHBondContact O-N 2.61Å |
| 154 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -70.9 | 117.6 | -179.3 | -161.2 | 72.2 | 0 | 0 | 0 | 110.1 | L131 L134 L151 L157 L174 H176 L177 | L131-L154 HydrophobicContact CD2-CD1 4.28Å; L131-L154 HydrophobicContact CG-CD1 4.24Å; L131-L154 WeakPolarHBondContact O-CA 3.15Å; L131-L154 PolarHBondContact O-N 3.44Å; L134-L154 HydrophobicContact CB-CD1 3.78Å; L151-L154 HydrophobicContact CB-CB 4.28Å; L151-L154 WeakPolarHBondContact O-CB 3.36Å; L151-L154 PolarHBondContact O-N 2.74Å; L154-L157 HydrophobicContact CD2-CB 3.95Å; L154-L157 HydrophobicContact CD2-CD1 4.3Å; L154-L157 HydrophobicContact CD2-CD2 4.07Å; L154-L157 HydrophobicContact CD2-CG 4.34Å; L154-L174 HydrophobicContact CB-CD2 4.32Å; L154-L174 HydrophobicContact CD2-CD1 4.44Å; L154-H176 CarbonylContact O-C 3.54Å; L154-H176 VanDerWaalsContact O-C 3.25Å; L154-L177 HydrophobicContact CB-CD1 4.36Å; L154-L177 HydrophobicContact CD2-CD1 4.11Å; L154-L177 HydrophobicContact CG-CD1 3.99Å; L154-L177 VanDerWaalsContact O-CA 3.28Å; L154-L177 WeakPolarHBondContact O-CA 3.47Å; L154-L177 PolarHBondContact O-N 2.85Å; L154-L177 VanDerWaalsContact O-N 3.17Å | ||
| 155 | E | 98.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 43.3 Ų | 43.3 | 23% | 0.234 | 22% | 0.215 | C | C | . | . | trans | -101.1 | -31.4 | -178.4 | -71.4 | 161 | 168.6 | 0 | 0 | 110.8 | R132 L153 H176 E178 F179 | R132-E155 WeakPolarHBondContact CG-OE2 3.27Å; R132-E155 IonicContact CZ-OE1 2.69Å; R132-E155 IonicContact CZ-OE2 2.99Å; R132-E155 IonicContact NE-OE2 3.08Å; R132-E155 IonicContact NH1-OE1 3.18Å; R132-E155 PolarHBondContact NH1-OE1 2.93Å; R132-E155 IonicContact NH1-OE2 3.51Å; R132-E155 PolarHBondContact NH1-OE2 2.81Å; R132-E155 IonicContact NH2-OE1 3.45Å; R132-E155 PolarHBondContact NH2-OE1 2.65Å; R132-E155 VanDerWaalsContact NH2-OE1 3.17Å; R132-E155 PolarHBondContact O-N 2.77Å; L153-E155 PolarHBondContact O-N 2.61Å; E155-H176 WeakPolarHBondContact CA-O 3.49Å; E155-E178 PolarHBondContact O-N 3.13Å; E155-F179 PolarHBondContact O-N 2.93Å; E155-F179 VanDerWaalsContact O-N 3.09Å | ||
| 156 | K | 98.6 | Very high | 96.9 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 27% | 0.265 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 129.8 | 179.4 | 175.2 | 161.9 | -178.8 | 174.9 | 0 | 112.5 | R132 V133 L134 E158 F179 | R132-K156 PolarHBondContact O-N 2.82Å; V133-K156 WeakPolarHBondContact CA-O 3.37Å; V133-K156 HydrophobicContact CG1-CB 4.33Å; V133-K156 HydrophobicContact CG1-CD 4.44Å; V133-K156 HydrophobicContact CG1-CG 4.28Å; V133-K156 HydrophobicContact CG2-CB 4.33Å; L134-K156 PolarHBondContact N-O 2.91Å; K156-E158 VanDerWaalsContact CE-CD 3.49Å; K156-E158 VanDerWaalsContact CE-CG 3.44Å; K156-E158 WeakPolarHBondContact CE-OE1 3.22Å; K156-E158 HydrophobicContact CG-CG 4.43Å; K156-E158 IonicContact NZ-OE1 2.92Å; K156-E158 PolarHBondContact NZ-OE1 3.03Å; K156-F179 HydrophobicContact CB-CB 4.22Å; K156-F179 HydrophobicContact CD-CB 4.25Å; K156-F179 HydrophobicContact CD-CD1 3.96Å; K156-F179 HydrophobicContact CD-CG 4.09Å; K156-F179 HydrophobicContact CG-CB 4.01Å; K156-F179 HydrophobicContact CG-CD1 3.74Å; K156-F179 HydrophobicContact CG-CG 4.1Å |
| 157 | L | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 120.5 | 176.4 | 179.6 | 54.5 | 0 | 0 | 0 | 110.6 | L134 L136 L154 L159 F171 L177 F179 L180 D181 | L134-L157 HydrophobicContact CB-CD1 4.06Å; L134-L157 HydrophobicContact CD2-CD1 4.03Å; L134-L157 HydrophobicContact CG-CD1 3.94Å; L134-L157 WeakPolarHBondContact O-CA 3.4Å; L136-L157 HydrophobicContact CD1-CD1 4.31Å; L154-L157 HydrophobicContact CD2-CB 3.95Å; L154-L157 HydrophobicContact CD2-CD1 4.3Å; L154-L157 HydrophobicContact CD2-CD2 4.07Å; L154-L157 HydrophobicContact CD2-CG 4.34Å; L157-L159 HydrophobicContact CD1-CD1 4.1Å; L157-L159 HydrophobicContact CD1-CD2 4.34Å; L157-L159 HydrophobicContact CD1-CG 3.96Å; L157-L159 HydrophobicContact CD2-CD1 3.81Å; L157-L159 HydrophobicContact CG-CD1 3.76Å; L157-L159 HydrophobicContact CG-CG 4.02Å; L157-F171 HydrophobicContact CD2-CE1 4.02Å; L157-F171 HydrophobicContact CD2-CZ 3.85Å; L157-L177 HydrophobicContact CB-CD1 3.85Å; L157-L177 HydrophobicContact CB-CD2 4.49Å; L157-F179 PolarHBondContact N-O 3.49Å; L157-L180 HydrophobicContact CB-CD1 4.1Å; L157-L180 HydrophobicContact CD2-CD1 4.06Å; L157-L180 HydrophobicContact CG-CD1 4.04Å; L157-L180 WeakPolarHBondContact O-CA 3.38Å; L157-D181 PolarHBondContact O-N 3.19Å; L157-D181 VanDerWaalsContact O-N 3.07Å |
| 158 | E | 98.6 | Very high | 97 | Very high | 35 Ų | 35 | 34 Ų | 34 | 16% | 0.164 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 126.1 | 174.7 | -47.9 | -175.8 | 155.4 | 0 | 0 | 110.3 | L134 C135 L136 N137 K156 F179 | L134-E158 PolarHBondContact O-N 2.99Å; C135-E158 VanDerWaalsContact SG-CD 3.55Å; C135-E158 PolarHBondContact SG-OE2 3.13Å; L136-E158 WeakPolarHBondContact CA-O 3.27Å; L136-E158 WeakPolarHBondContact CB-O 3.13Å; L136-E158 PolarHBondContact N-O 2.9Å; N137-E158 PolarHBondContact ND2-OE2 2.75Å; N137-E158 VanDerWaalsContact OD1-C 3.26Å; N137-E158 WeakPolarHBondContact OD1-CB 3.44Å; K156-E158 VanDerWaalsContact CE-CD 3.49Å; K156-E158 VanDerWaalsContact CE-CG 3.44Å; K156-E158 WeakPolarHBondContact CE-OE1 3.22Å; K156-E158 HydrophobicContact CG-CG 4.43Å; K156-E158 IonicContact NZ-OE1 2.92Å; K156-E158 PolarHBondContact NZ-OE1 3.03Å; E158-F179 HydrophobicContact CG-CE1 4.01Å |
| 159 | L | 98.1 | Very high | 97 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -134.8 | 19.9 | -174.2 | -70.8 | 162.8 | 0 | 0 | 0 | 112.7 | L136 N137 L144 L157 N162 L164 F171 L180 D181 L182 N185 | L136-L159 HydrophobicContact CB-CD2 3.79Å; L136-L159 HydrophobicContact CD1-CD2 3.69Å; L136-L159 HydrophobicContact CG-CD2 4.39Å; N137-L159 PolarHBondContact OD1-N 3Å; L144-L159 HydrophobicContact CD1-CD1 3.79Å; L144-L159 HydrophobicContact CD1-CD2 4.37Å; L144-L159 HydrophobicContact CD2-CD2 3.92Å; L157-L159 HydrophobicContact CD1-CD1 4.1Å; L157-L159 HydrophobicContact CD1-CD2 4.34Å; L157-L159 HydrophobicContact CD1-CG 3.96Å; L157-L159 HydrophobicContact CD2-CD1 3.81Å; L157-L159 HydrophobicContact CG-CD1 3.76Å; L157-L159 HydrophobicContact CG-CG 4.02Å; L159-N162 PolarHBondContact O-ND2 3.11Å; L159-L164 HydrophobicContact CB-CD1 4.09Å; L159-L164 HydrophobicContact CD1-CD1 4.04Å; L159-L164 HydrophobicContact CD2-CD1 4.16Å; L159-L164 HydrophobicContact CG-CD1 4.34Å; L159-F171 HydrophobicContact CD1-CZ 4.46Å; L159-L180 HydrophobicContact CD1-CD1 4.48Å; L159-D181 WeakPolarHBondContact CA-O 3.47Å; L159-D181 WeakPolarHBondContact CB-O 3.32Å; L159-D181 PolarHBondContact N-O 2.81Å; L159-L182 HydrophobicContact CB-CD2 4.1Å; L159-L182 HydrophobicContact CD1-CD2 3.7Å; L159-N185 PolarHBondContact O-ND2 2.66Å | ||
| 160 | R | 97.6 | Very high | 97 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 9% | 0.091 | 22% | 0.216 | C | C | . | . | trans | -62.5 | 156.9 | -177.5 | 167 | 171.5 | -71.5 | -89.5 | 6.5 | 113.3 | N137 D138 N162 D181 G183 A184 D206 | N137-R160 CarbonylContact C-O 3.5Å; N137-R160 WeakPolarHBondContact CA-O 3.38Å; N137-R160 HydrophobicContact CB-CB 4.49Å; N137-R160 PolarHBondContact OD1-N 2.92Å; D138-R160 PolarHBondContact N-O 3.2Å; R160-N162 PolarHBondContact O-ND2 2.94Å; R160-N162 VanDerWaalsContact O-ND2 3.12Å; R160-D181 WeakPolarHBondContact CB-OD2 3.41Å; R160-D181 IonicContact NE-OD1 3.21Å; R160-D181 IonicContact NE-OD2 3.62Å; R160-D181 PolarHBondContact NE-OD2 3.17Å; R160-D181 IonicContact NH2-OD1 2.76Å; R160-G183 WeakPolarHBondContact CA-O 3.45Å; R160-A184 HydrophobicContact CG-CB 4.36Å; R160-D206 IonicContact CZ-OD1 3.38Å; R160-D206 IonicContact CZ-OD2 2.81Å; R160-D206 IonicContact NH1-OD2 2.73Å; R160-D206 PolarHBondContact NH1-OD2 3.05Å; R160-D206 IonicContact NH2-OD1 2.64Å; R160-D206 PolarHBondContact NH2-OD1 3.17Å; R160-D206 IonicContact NH2-OD2 2.71Å; R160-D206 PolarHBondContact NH2-OD2 3.13Å | ||
| 161 | D | 96.9 | Very high | 97 | Very high | 60 Ų | 60 | 38.7 Ų | 38.7 | 32% | 0.321 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 59.7 | 44.7 | 176.5 | -62.6 | -21.1 | 0 | 0 | 0 | 111.8 | D138 G183 A184 K1415 | D138-D161 VanDerWaalsContact CA-O 3.27Å; D138-D161 WeakPolarHBondContact CA-O 3.24Å; D138-D161 HydrophobicContact CB-CB 3.77Å; D161-G183 PolarHBondContact N-O 3.27Å; D161-A184 VanDerWaalsContact CA-O 3.29Å; D161-A184 WeakPolarHBondContact CA-O 3.43Å; D161-A184 PolarHBondContact N-O 2.81Å; D161-A184 WeakPolarHBondContact OD1-CB 3.11Å; D161-K1415 IonicContact OD2-NZ 3.78Å; D161-K1415 PolarHBondContact OD2-NZ 3.38Å |
| 162 | N | 97 | Very high | 96.9 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -126.3 | -177 | -178.8 | -78.5 | -63.3 | 0 | 0 | 0 | 112.3 | L136 I139 S140 I141 L159 R160 L164 A184 N185 | L136-N162 PolarHBondContact O-ND2 2.87Å; I139-N162 WeakPolarHBondContact CG1-OD1 3.2Å; I139-N162 PolarHBondContact N-OD1 2.84Å; I139-N162 VanDerWaalsContact N-OD1 3.08Å; S140-N162 PolarHBondContact N-OD1 2.89Å; I141-N162 HydrophobicContact CG2-CB 4.14Å; I141-N162 PolarHBondContact N-OD1 3.14Å; I141-N162 VanDerWaalsContact N-OD1 3.17Å; L159-N162 PolarHBondContact O-ND2 3.11Å; R160-N162 PolarHBondContact O-ND2 2.94Å; R160-N162 VanDerWaalsContact O-ND2 3.12Å; N162-L164 HydrophobicContact CB-CG 4.39Å; N162-A184 PolarHBondContact N-O 3.4Å; N162-A184 VanDerWaalsContact N-O 3.15Å; N162-N185 WeakPolarHBondContact CA-OD1 3.35Å; N162-N185 VanDerWaalsContact CB-OD1 3.27Å; N162-N185 WeakPolarHBondContact CB-OD1 3.33Å; N162-N185 PolarHBondContact O-OD1 3.34Å |
| 163 | C | 95.7 | Very high | 97 | Very high | 45 Ų | 45 | 38.6 Ų | 38.6 | 30% | 0.304 | 21% | 0.208 | S | C | . | . | trans | -108.2 | 28.3 | -177.2 | -58.1 | 0 | 0 | 0 | 0 | 112 | I141 A142 | I141-C163 PolarHBondContact O-N 3.38Å; A142-C163 HydrophobicContact CB-CB 4.31Å | ||
| 164 | L | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -74.2 | 139.6 | -177.7 | -60.8 | 176 | 0 | 0 | 0 | 111.2 | I141 L144 L159 N162 L182 N185 E186 F187 | I141-L164 HydrophobicContact CG2-CD2 4.26Å; L144-L164 HydrophobicContact CD1-CD1 4.23Å; L144-L164 HydrophobicContact CG-CD1 4.43Å; L144-L164 HydrophobicContact CG-CD2 4.1Å; L159-L164 HydrophobicContact CB-CD1 4.09Å; L159-L164 HydrophobicContact CD1-CD1 4.04Å; L159-L164 HydrophobicContact CD2-CD1 4.16Å; L159-L164 HydrophobicContact CG-CD1 4.34Å; N162-L164 HydrophobicContact CB-CG 4.39Å; L164-L182 HydrophobicContact CD1-CD2 4.47Å; L164-N185 VanDerWaalsContact CB-OD1 3.27Å; L164-N185 WeakPolarHBondContact CB-OD1 3.29Å; L164-N185 PolarHBondContact N-OD1 3.3Å; L164-E186 CarbonylContact O-C 3.2Å; L164-E186 VanDerWaalsContact O-C 3.31Å; L164-E186 WeakPolarHBondContact O-CA 3.22Å; L164-E186 PolarHBondContact O-N 2.96Å; L164-F187 HydrophobicContact CB-CE2 3.75Å; L164-F187 HydrophobicContact CB-CZ 3.93Å; L164-F187 PolarHBondContact O-N 2.94Å | ||
| 165 | K | 96.6 | Very high | 96.7 | Very high | 122 Ų | 122 | 40 Ų | 40 | 53% | 0.53 | 21% | 0.214 | S | C | . | . | trans | -114.1 | -18.7 | 178.6 | -64.7 | -179.7 | -177.1 | -165.1 | 0 | 113.3 | E186 | K165-E186 WeakPolarHBondContact CE-OE2 3.37Å; K165-E186 HydrophobicContact CG-CB 3.83Å; K165-E186 IonicContact NZ-OE2 3.49Å; K165-E186 PolarHBondContact NZ-OE2 2.87Å | ||
| 166 | S | 95.9 | Very high | 96.6 | Very high | 79 Ų | 79 | 41.4 Ų | 41.4 | 55% | 0.552 | 22% | 0.221 | S | C | * | . | trans | -163.3 | 154 | -173.2 | 54.8 | 0 | 0 | 0 | 0 | 109.8 | F187 | S166-F187 VanDerWaalsContact CA-CE1 3.47Š| ||
| 167 | I | 95.9 | Very high | 96.6 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 4% | 0.036 | 21% | 0.208 | C | C | . | . | trans | -98 | 141.8 | 166.2 | 56.4 | 176 | 0 | 0 | 0 | 109.6 | F171 L182 F187 | I167-F171 HydrophobicContact CB-CD1 4.02Å; I167-F171 HydrophobicContact CB-CD2 3.94Å; I167-F171 HydrophobicContact CB-CE1 4.11Å; I167-F171 HydrophobicContact CB-CE2 4.03Å; I167-F171 HydrophobicContact CB-CG 3.94Å; I167-F171 HydrophobicContact CB-CZ 4.11Å; I167-F171 HydrophobicContact CD1-CB 4.18Å; I167-F171 HydrophobicContact CD1-CD1 3.8Å; I167-F171 HydrophobicContact CD1-CE1 4.42Å; I167-F171 HydrophobicContact CD1-CG 4.06Å; I167-F171 HydrophobicContact CG1-CD1 4.46Å; I167-F171 HydrophobicContact CG1-CG 4.41Å; I167-F171 HydrophobicContact CG2-CD1 4.08Å; I167-F171 HydrophobicContact CG2-CD2 4.5Å; I167-F171 HydrophobicContact CG2-CE1 3.71Å; I167-F171 HydrophobicContact CG2-CE2 4.15Å; I167-F171 HydrophobicContact CG2-CG 4.46Å; I167-F171 HydrophobicContact CG2-CZ 3.74Å; I167-L182 HydrophobicContact CG2-CD1 4.48Å; I167-L182 HydrophobicContact CG2-CD2 4.45Å; I167-F187 HydrophobicContact CG2-CE1 4.12Å; I167-F187 HydrophobicContact CG2-CZ 4Å | ||
| 168 | P | 95.9 | Very high | 96.6 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.091 | 23% | 0.227 | C | C | . | . | trans | -70.1 | 154.4 | 176.9 | 27.7 | -34.1 | 0 | 0 | 0 | 112 | L144 E146 I148 S170 F171 | L144-P168 HydrophobicContact CB-CG 4.34Å; E146-P168 WeakPolarHBondContact OE2-CB 3.07Å; I148-P168 HydrophobicContact CG2-CG 3.71Å; P168-S170 PolarHBondContact O-N 3.38Å; P168-F171 HydrophobicContact CG-CD2 3.87Å; P168-F171 HydrophobicContact CG-CE2 4.04Å; P168-F171 WeakPolarHBondContact O-CB 3.29Å; P168-F171 PolarHBondContact O-N 2.88Å | ||
| 169 | D | 95.8 | Very high | 96.6 | Very high | 122 Ų | 122 | 41.9 Ų | 41.9 | 65% | 0.652 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -57.3 | -26.9 | -176 | -79 | -17.4 | 0 | 0 | 0 | 113.5 | F171 A172 | D169-F171 PolarHBondContact O-N 3.37Å; D169-F171 VanDerWaalsContact O-N 3.17Å; D169-A172 WeakPolarHBondContact O-CB 3.34Å; D169-A172 PolarHBondContact O-N 3.48Å |
| 170 | S | 96.5 | Very high | 96.6 | Very high | 21 Ų | 21 | 41.9 Ų | 41.9 | 15% | 0.147 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -66.4 | -11 | 177.4 | 70.6 | 0 | 0 | 0 | 0 | 114.3 | E146 G149 P168 A172 D173 | E146-S170 WeakPolarHBondContact O-CB 3.45Å; E146-S170 PolarHBondContact O-OG 3.01Å; G149-S170 WeakPolarHBondContact CA-O 3.35Å; G149-S170 PolarHBondContact N-OG 2.95Å; P168-S170 PolarHBondContact O-N 3.38Å; S170-A172 PolarHBondContact O-N 2.57Å; S170-A172 VanDerWaalsContact O-N 3.07Å; S170-D173 WeakPolarHBondContact O-CB 3.45Å; S170-D173 PolarHBondContact O-N 3.36Å |
| 171 | F | 96 | Very high | 96.7 | Very high | 1 Ų | 1 | 41 Ų | 41 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -52.6 | -29.1 | 168.9 | -96.8 | -120.9 | 0 | 0 | 0 | 112.1 | L144 I148 L157 L159 I167 P168 D169 D173 L174 L180 V193 L197 | L144-F171 HydrophobicContact CD1-CE2 3.63Å; L144-F171 HydrophobicContact CD1-CZ 3.57Å; I148-F171 HydrophobicContact CG2-CD2 3.76Å; I148-F171 HydrophobicContact CG2-CE2 3.63Å; L157-F171 HydrophobicContact CD2-CE1 4.02Å; L157-F171 HydrophobicContact CD2-CZ 3.85Å; L159-F171 HydrophobicContact CD1-CZ 4.46Å; I167-F171 HydrophobicContact CB-CD1 4.02Å; I167-F171 HydrophobicContact CB-CD2 3.94Å; I167-F171 HydrophobicContact CB-CE1 4.11Å; I167-F171 HydrophobicContact CB-CE2 4.03Å; I167-F171 HydrophobicContact CB-CG 3.94Å; I167-F171 HydrophobicContact CB-CZ 4.11Å; I167-F171 HydrophobicContact CD1-CB 4.18Å; I167-F171 HydrophobicContact CD1-CD1 3.8Å; I167-F171 HydrophobicContact CD1-CE1 4.42Å; I167-F171 HydrophobicContact CD1-CG 4.06Å; I167-F171 HydrophobicContact CG1-CD1 4.46Å; I167-F171 HydrophobicContact CG1-CG 4.41Å; I167-F171 HydrophobicContact CG2-CD1 4.08Å; I167-F171 HydrophobicContact CG2-CD2 4.5Å; I167-F171 HydrophobicContact CG2-CE1 3.71Å; I167-F171 HydrophobicContact CG2-CE2 4.15Å; I167-F171 HydrophobicContact CG2-CG 4.46Å; I167-F171 HydrophobicContact CG2-CZ 3.74Å; P168-F171 HydrophobicContact CG-CD2 3.87Å; P168-F171 HydrophobicContact CG-CE2 4.04Å; P168-F171 WeakPolarHBondContact O-CB 3.29Å; P168-F171 PolarHBondContact O-N 2.88Å; D169-F171 PolarHBondContact O-N 3.37Å; D169-F171 VanDerWaalsContact O-N 3.17Å; F171-D173 PolarHBondContact O-N 3.15Å; F171-D173 VanDerWaalsContact O-N 3.09Å; F171-L174 HydrophobicContact CD1-CD1 4.14Å; F171-L174 HydrophobicContact CD2-CD1 4.44Å; F171-L174 HydrophobicContact CE1-CD1 4.37Å; F171-L174 HydrophobicContact CG-CD1 4.18Å; F171-L174 WeakPolarHBondContact O-CB 3.28Å; F171-L174 PolarHBondContact O-N 2.86Å; F171-L180 HydrophobicContact CE1-CD1 4.45Å; F171-L180 HydrophobicContact CE1-CD2 4.43Å; F171-V193 HydrophobicContact CB-CG1 3.86Å; F171-L197 VanDerWaalsContact O-CD2 3.22Å; F171-L197 WeakPolarHBondContact O-CD2 3.41Å |
| 172 | A | 95.5 | Very high | 96.7 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -52.8 | -27.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D169 S170 V193 | D169-A172 WeakPolarHBondContact O-CB 3.34Å; D169-A172 PolarHBondContact O-N 3.48Å; S170-A172 PolarHBondContact O-N 2.57Å; S170-A172 VanDerWaalsContact O-N 3.07Å; A172-V193 HydrophobicContact CB-CG1 4.07Å |
| 173 | D | 96.3 | Very high | 96.8 | Very high | 82 Ų | 82 | 37.8 Ų | 37.8 | 44% | 0.439 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -82.3 | -8.9 | -179.6 | -69.4 | -40.1 | 0 | 0 | 0 | 113.5 | G149 S170 F171 I175 | G149-D173 WeakPolarHBondContact O-CB 3.44Å; S170-D173 WeakPolarHBondContact O-CB 3.45Å; S170-D173 PolarHBondContact O-N 3.36Å; F171-D173 PolarHBondContact O-N 3.15Å; F171-D173 VanDerWaalsContact O-N 3.09Å; D173-I175 PolarHBondContact O-N 3.05Å |
| 174 | L | 97.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -79.3 | 52.9 | 178 | -57.8 | 179.9 | 0 | 0 | 0 | 111.7 | L151 L154 F171 H176 L177 L197 | L151-L174 HydrophobicContact CB-CD2 4.29Å; L151-L174 WeakPolarHBondContact O-CD2 3.4Å; L154-L174 HydrophobicContact CB-CD2 4.32Å; L154-L174 HydrophobicContact CD2-CD1 4.44Å; F171-L174 HydrophobicContact CD1-CD1 4.14Å; F171-L174 HydrophobicContact CD2-CD1 4.44Å; F171-L174 HydrophobicContact CE1-CD1 4.37Å; F171-L174 HydrophobicContact CG-CD1 4.18Å; F171-L174 WeakPolarHBondContact O-CB 3.28Å; F171-L174 PolarHBondContact O-N 2.86Å; L174-H176 PolarHBondContact O-N 2.92Å; L174-L177 HydrophobicContact CB-CB 4.24Å; L174-L177 WeakPolarHBondContact O-CB 3.33Å; L174-L177 PolarHBondContact O-N 3.15Å; L174-L197 HydrophobicContact CB-CD2 4.16Å | ||
| 175 | I | 93.2 | Very high | 96.9 | Very high | 85 Ų | 85 | 37 Ų | 37 | 44% | 0.436 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -1.7 | -171.4 | 61.5 | 165.6 | 0 | 0 | 0 | 115.6 | D173 Q199 | D173-I175 PolarHBondContact O-N 3.05Å; I175-Q199 VanDerWaalsContact O-CG 3.25Å; I175-Q199 WeakPolarHBondContact O-CG 3.03Å |
| 176 | H | 96.4 | Very high | 96.9 | Very high | 81 Ų | 81 | 34.6 Ų | 34.6 | 38% | 0.375 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.3 | 4.6 | 176.8 | -64.3 | -22.3 | 0 | 0 | 0 | 112.7 | Q152 L154 E155 L174 E178 | Q152-H176 PolarHBondContact O-CD2 3.03Å; L154-H176 CarbonylContact O-C 3.54Å; L154-H176 VanDerWaalsContact O-C 3.25Å; E155-H176 WeakPolarHBondContact CA-O 3.49Å; L174-H176 PolarHBondContact O-N 2.92Å; H176-E178 PolarHBondContact O-N 2.8Å |
| 177 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -71 | 117.2 | -179.1 | -160.4 | 73.9 | 0 | 0 | 0 | 110.3 | L154 L157 L174 L180 L197 Q199 L200 | L154-L177 HydrophobicContact CB-CD1 4.36Å; L154-L177 HydrophobicContact CD2-CD1 4.11Å; L154-L177 HydrophobicContact CG-CD1 3.99Å; L154-L177 VanDerWaalsContact O-CA 3.28Å; L154-L177 WeakPolarHBondContact O-CA 3.47Å; L154-L177 PolarHBondContact O-N 2.85Å; L154-L177 VanDerWaalsContact O-N 3.17Å; L157-L177 HydrophobicContact CB-CD1 3.85Å; L157-L177 HydrophobicContact CB-CD2 4.49Å; L174-L177 HydrophobicContact CB-CB 4.24Å; L174-L177 WeakPolarHBondContact O-CB 3.33Å; L174-L177 PolarHBondContact O-N 3.15Å; L177-L180 HydrophobicContact CD2-CB 3.99Å; L177-L180 HydrophobicContact CD2-CD1 4.29Å; L177-L180 HydrophobicContact CD2-CD2 4.15Å; L177-L180 HydrophobicContact CD2-CG 4.38Å; L177-L197 HydrophobicContact CD2-CD1 4.19Å; L177-Q199 CarbonylContact O-C 3.58Å; L177-L200 HydrophobicContact CD2-CD1 4.21Å; L177-L200 HydrophobicContact CG-CD1 4.18Å; L177-L200 VanDerWaalsContact O-CA 3.29Å; L177-L200 WeakPolarHBondContact O-CA 3.4Å; L177-L200 PolarHBondContact O-N 2.9Å; L177-L200 VanDerWaalsContact O-N 3.15Å | ||
| 178 | E | 98.5 | Very high | 97.1 | Very high | 85 Ų | 85 | 36.3 Ų | 36.3 | 40% | 0.397 | 19% | 0.188 | S | C | . | . | trans | -98.3 | -40.1 | 177.7 | -67 | 175.6 | -163.4 | 0 | 0 | 110.8 | E155 H176 L200 S201 E202 | E155-E178 PolarHBondContact O-N 3.13Å; H176-E178 PolarHBondContact O-N 2.8Å; E178-L200 WeakPolarHBondContact O-CD1 3.48Å; E178-S201 PolarHBondContact O-N 2.86Å; E178-S201 PolarHBondContact O-OG 3.35Å; E178-S201 VanDerWaalsContact O-OG 3.07Å; E178-E202 PolarHBondContact O-N 3.03Å | ||
| 179 | F | 98.6 | Very high | 97.1 | Very high | 21 Ų | 21 | 42.9 Ų | 42.9 | 9% | 0.092 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 130.3 | -178.4 | -177.8 | -75.6 | 0 | 0 | 0 | 111.9 | E155 K156 L157 E158 D181 E202 W204 | E155-F179 PolarHBondContact O-N 2.93Å; E155-F179 VanDerWaalsContact O-N 3.09Å; K156-F179 HydrophobicContact CB-CB 4.22Å; K156-F179 HydrophobicContact CD-CB 4.25Å; K156-F179 HydrophobicContact CD-CD1 3.96Å; K156-F179 HydrophobicContact CD-CG 4.09Å; K156-F179 HydrophobicContact CG-CB 4.01Å; K156-F179 HydrophobicContact CG-CD1 3.74Å; K156-F179 HydrophobicContact CG-CG 4.1Å; L157-F179 PolarHBondContact N-O 3.49Å; E158-F179 HydrophobicContact CG-CE1 4.01Å; F179-D181 HydrophobicContact CE1-CB 3.67Å; F179-D181 HydrophobicContact CZ-CB 4.09Å; F179-E202 HydrophobicContact CD2-CB 3.71Å; F179-E202 HydrophobicContact CD2-CG 4.38Å; F179-E202 WeakPolarHBondContact CD2-OE2 3.44Å; F179-E202 HydrophobicContact CE2-CB 4.2Å; F179-E202 VanDerWaalsContact CE2-OE2 3.31Å; F179-E202 WeakPolarHBondContact CE2-OE2 3.31Å; F179-W204 HydrophobicContact CE2-CD2 4.4Å; F179-W204 AromaticContact CE2-CE2 3.97Å; F179-W204 HydrophobicContact CE2-CH2 4.02Å; F179-W204 AromaticContact CE2-CZ2 3.77Å; F179-W204 HydrophobicContact CE2-CZ2 3.77Å; F179-W204 HydrophobicContact CE2-CZ3 4.44Å; F179-W204 HydrophobicContact CZ-CD2 4.09Å; F179-W204 AromaticContact CZ-CE3 3.95Å; F179-W204 HydrophobicContact CZ-CE3 3.95Å; F179-W204 AromaticContact CZ-CH2 3.88Å; F179-W204 HydrophobicContact CZ-CH2 3.88Å; F179-W204 HydrophobicContact CZ-CZ2 4.01Å; F179-W204 AromaticContact CZ-CZ3 3.86Å; F179-W204 HydrophobicContact CZ-CZ3 3.86Å |
| 180 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 115.1 | 174.1 | 179.6 | 56.2 | 0 | 0 | 0 | 111.7 | L157 L159 F171 L177 L182 I194 L197 L200 E202 L203 W204 | L157-L180 HydrophobicContact CB-CD1 4.1Å; L157-L180 HydrophobicContact CD2-CD1 4.06Å; L157-L180 HydrophobicContact CG-CD1 4.04Å; L157-L180 WeakPolarHBondContact O-CA 3.38Å; L159-L180 HydrophobicContact CD1-CD1 4.48Å; F171-L180 HydrophobicContact CE1-CD1 4.45Å; F171-L180 HydrophobicContact CE1-CD2 4.43Å; L177-L180 HydrophobicContact CD2-CB 3.99Å; L177-L180 HydrophobicContact CD2-CD1 4.29Å; L177-L180 HydrophobicContact CD2-CD2 4.15Å; L177-L180 HydrophobicContact CD2-CG 4.38Å; L180-L182 HydrophobicContact CD1-CD1 4.43Å; L180-L182 HydrophobicContact CD1-CD2 4.13Å; L180-L182 HydrophobicContact CD1-CG 3.96Å; L180-L182 HydrophobicContact CD2-CD1 3.97Å; L180-L182 HydrophobicContact CD2-CG 4.37Å; L180-L182 HydrophobicContact CG-CD1 4.1Å; L180-L182 HydrophobicContact CG-CG 3.96Å; L180-I194 HydrophobicContact CD2-CD1 3.78Å; L180-L197 HydrophobicContact CD2-CD1 4.16Å; L180-L200 HydrophobicContact CB-CD1 3.79Å; L180-E202 PolarHBondContact N-O 2.8Å; L180-L203 HydrophobicContact CB-CD1 4.18Å; L180-L203 HydrophobicContact CD2-CD1 4.08Å; L180-L203 HydrophobicContact CG-CD1 4.09Å; L180-L203 WeakPolarHBondContact O-CA 3.37Å; L180-W204 PolarHBondContact O-N 2.9Å |
| 181 | D | 98.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 118.1 | 170 | -176.4 | 4.1 | 0 | 0 | 0 | 110.2 | L157 L159 R160 F179 G183 W204 | L157-D181 PolarHBondContact O-N 3.19Å; L157-D181 VanDerWaalsContact O-N 3.07Å; L159-D181 WeakPolarHBondContact CA-O 3.47Å; L159-D181 WeakPolarHBondContact CB-O 3.32Å; L159-D181 PolarHBondContact N-O 2.81Å; R160-D181 WeakPolarHBondContact CB-OD2 3.41Å; R160-D181 IonicContact NE-OD1 3.21Å; R160-D181 IonicContact NE-OD2 3.62Å; R160-D181 PolarHBondContact NE-OD2 3.17Å; R160-D181 IonicContact NH2-OD1 2.76Å; F179-D181 HydrophobicContact CE1-CB 3.67Å; F179-D181 HydrophobicContact CZ-CB 4.09Å; D181-G183 PolarHBondContact OD1-N 3.31Å; D181-W204 HydrophobicContact CB-CB 4.42Å; D181-W204 HydrophobicContact CB-CE3 4.11Å |
| 182 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | trans | -120.5 | 12.8 | 176.1 | -67.1 | 171.8 | 0 | 0 | 0 | 111.7 | L159 L164 I167 L180 N185 F187 W204 I205 N208 | L159-L182 HydrophobicContact CB-CD2 4.1Å; L159-L182 HydrophobicContact CD1-CD2 3.7Å; L164-L182 HydrophobicContact CD1-CD2 4.47Å; I167-L182 HydrophobicContact CG2-CD1 4.48Å; I167-L182 HydrophobicContact CG2-CD2 4.45Å; L180-L182 HydrophobicContact CD1-CD1 4.43Å; L180-L182 HydrophobicContact CD1-CD2 4.13Å; L180-L182 HydrophobicContact CD1-CG 3.96Å; L180-L182 HydrophobicContact CD2-CD1 3.97Å; L180-L182 HydrophobicContact CD2-CG 4.37Å; L180-L182 HydrophobicContact CG-CD1 4.1Å; L180-L182 HydrophobicContact CG-CG 3.96Å; L182-N185 PolarHBondContact O-ND2 3.16Å; L182-N185 VanDerWaalsContact O-ND2 3.14Å; L182-F187 HydrophobicContact CB-CE2 4.18Å; L182-F187 HydrophobicContact CD1-CE2 4.48Å; L182-F187 HydrophobicContact CD1-CZ 4.24Å; L182-F187 HydrophobicContact CD2-CE2 4.02Å; L182-F187 HydrophobicContact CD2-CZ 3.96Å; L182-F187 HydrophobicContact CG-CE2 4.47Å; L182-W204 PolarHBondContact N-O 2.85Å; L182-I205 HydrophobicContact CB-CB 4.28Å; L182-I205 HydrophobicContact CB-CD1 4.2Å; L182-I205 HydrophobicContact CB-CG1 3.94Å; L182-I205 HydrophobicContact CD1-CD1 3.99Å; L182-N208 PolarHBondContact O-ND2 2.6Å; L182-N208 VanDerWaalsContact O-ND2 3.07Å | ||
| 183 | G | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -65.5 | 158.7 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | R160 D161 D181 N185 D206 | R160-G183 WeakPolarHBondContact CA-O 3.45Å; D161-G183 PolarHBondContact N-O 3.27Å; D181-G183 PolarHBondContact OD1-N 3.31Å; G183-N185 PolarHBondContact O-ND2 2.71Å; G183-D206 CarbonylContact C-O 3.46Å; G183-D206 WeakPolarHBondContact CA-O 3.15Å | ||
| 184 | A | 97.3 | Very high | 97.2 | Very high | 14 Ų | 14 | 36.6 Ų | 36.6 | 12% | 0.116 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 51 | 63.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | R160 D161 N162 D206 D207 | R160-A184 HydrophobicContact CG-CB 4.36Å; D161-A184 VanDerWaalsContact CA-O 3.29Å; D161-A184 WeakPolarHBondContact CA-O 3.43Å; D161-A184 PolarHBondContact N-O 2.81Å; D161-A184 WeakPolarHBondContact OD1-CB 3.11Å; N162-A184 PolarHBondContact N-O 3.4Å; N162-A184 VanDerWaalsContact N-O 3.15Å; A184-D206 PolarHBondContact N-O 3.37Å; A184-D207 WeakPolarHBondContact CA-O 3.4Å; A184-D207 HydrophobicContact CB-CB 4.27Å; A184-D207 WeakPolarHBondContact CB-OD2 3.36Å; A184-D207 PolarHBondContact N-O 3.45Å |
| 185 | N | 97.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 37 Ų | 37 | 7% | 0.07 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -138.5 | -173.1 | 179.4 | -88.4 | -88.8 | 0 | 0 | 0 | 110.8 | L159 N162 L164 L182 G183 F187 D207 N208 | L159-N185 PolarHBondContact O-ND2 2.66Å; N162-N185 WeakPolarHBondContact CA-OD1 3.35Å; N162-N185 VanDerWaalsContact CB-OD1 3.27Å; N162-N185 WeakPolarHBondContact CB-OD1 3.33Å; N162-N185 PolarHBondContact O-OD1 3.34Å; L164-N185 VanDerWaalsContact CB-OD1 3.27Å; L164-N185 WeakPolarHBondContact CB-OD1 3.29Å; L164-N185 PolarHBondContact N-OD1 3.3Å; L182-N185 PolarHBondContact O-ND2 3.16Å; L182-N185 VanDerWaalsContact O-ND2 3.14Å; G183-N185 PolarHBondContact O-ND2 2.71Å; N185-F187 HydrophobicContact CB-CD2 3.67Å; N185-F187 HydrophobicContact CB-CE2 3.88Å; N185-D207 PolarHBondContact N-O 2.76Å; N185-N208 WeakPolarHBondContact CB-OD1 3.26Å; N185-N208 PolarHBondContact O-OD1 3.09Å; N185-N208 VanDerWaalsContact O-OD1 3.13Å |
| 186 | E | 97 | Very high | 97.3 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 34% | 0.341 | 19% | 0.192 | S | C | . | . | trans | -106.4 | 30.6 | -177.1 | -63 | -177.5 | -138 | 0 | 0 | 112.5 | L164 K165 Q188 | L164-E186 CarbonylContact O-C 3.2Å; L164-E186 VanDerWaalsContact O-C 3.31Å; L164-E186 WeakPolarHBondContact O-CA 3.22Å; L164-E186 PolarHBondContact O-N 2.96Å; K165-E186 WeakPolarHBondContact CE-OE2 3.37Å; K165-E186 HydrophobicContact CG-CB 3.83Å; K165-E186 IonicContact NZ-OE2 3.49Å; K165-E186 PolarHBondContact NZ-OE2 2.87Å; E186-Q188 PolarHBondContact O-N 3.04Å | ||
| 187 | F | 98 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | trans | -73.8 | 114.2 | -179.2 | -72.3 | -93.8 | 0 | 0 | 0 | 112.1 | L164 S166 I167 L182 N185 I205 N208 E209 L210 | L164-F187 HydrophobicContact CB-CE2 3.75Å; L164-F187 HydrophobicContact CB-CZ 3.93Å; L164-F187 PolarHBondContact O-N 2.94Å; S166-F187 VanDerWaalsContact CA-CE1 3.47Å; I167-F187 HydrophobicContact CG2-CE1 4.12Å; I167-F187 HydrophobicContact CG2-CZ 4Å; L182-F187 HydrophobicContact CB-CE2 4.18Å; L182-F187 HydrophobicContact CD1-CE2 4.48Å; L182-F187 HydrophobicContact CD1-CZ 4.24Å; L182-F187 HydrophobicContact CD2-CE2 4.02Å; L182-F187 HydrophobicContact CD2-CZ 3.96Å; L182-F187 HydrophobicContact CG-CE2 4.47Å; N185-F187 HydrophobicContact CB-CD2 3.67Å; N185-F187 HydrophobicContact CB-CE2 3.88Å; F187-I205 HydrophobicContact CG-CD1 4.44Å; F187-N208 WeakPolarHBondContact CB-OD1 3.03Å; F187-N208 WeakPolarHBondContact CD2-OD1 3.38Å; F187-N208 PolarHBondContact N-OD1 3.19Å; F187-E209 CarbonylContact O-C 3.14Å; F187-E209 VanDerWaalsContact O-C 3.25Å; F187-E209 WeakPolarHBondContact O-CA 3.4Å; F187-E209 PolarHBondContact O-N 3.27Å; F187-L210 HydrophobicContact CB-CD2 4.01Å; F187-L210 PolarHBondContact O-N 3.01Å | ||
| 188 | Q | 97.1 | Very high | 97.1 | Very high | 120 Ų | 120 | 37 Ų | 37 | 56% | 0.561 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -89.5 | -26.1 | 173.3 | -69.4 | 179.8 | -1.4 | 0 | 0 | 113.2 | E186 E209 | E186-Q188 PolarHBondContact O-N 3.04Å; Q188-E209 HydrophobicContact CG-CB 3.8Å; Q188-E209 WeakPolarHBondContact CG-OE2 3.28Å; Q188-E209 PolarHBondContact NE2-OE2 3.04Å |
| 189 | E | 96.9 | Very high | 97 | Very high | 153 Ų | 153 | 37.2 Ų | 37.2 | 72% | 0.715 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -141.7 | 149.7 | 174.2 | 63.1 | -179.8 | -170 | 0 | 0 | 110.2 | L210 | E189-L210 VanDerWaalsContact C-CD2 3.5Š|
| 190 | L | 96.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 4% | 0.042 | 19% | 0.191 | C | C | . | . | trans | -99.9 | 122 | 175.8 | 177 | 57.8 | 0 | 0 | 0 | 109.3 | I194 I205 L210 P214 L217 | L190-I194 HydrophobicContact CD1-CB 4.14Å; L190-I194 HydrophobicContact CD1-CD1 4.41Å; L190-I194 HydrophobicContact CD1-CG1 4.3Å; L190-I194 HydrophobicContact CD1-CG2 4.32Å; L190-I194 HydrophobicContact CD2-CG1 4.48Å; L190-I194 HydrophobicContact CD2-CG2 4.01Å; L190-I194 HydrophobicContact CG-CB 4.33Å; L190-I194 HydrophobicContact CG-CG2 3.95Å; L190-I205 HydrophobicContact CD1-CD1 3.86Å; L190-I205 HydrophobicContact CD2-CD1 4.48Å; L190-L210 HydrophobicContact CB-CD2 4.06Å; L190-P214 HydrophobicContact CB-CG 4.36Å; L190-P214 HydrophobicContact CD2-CG 4.44Å; L190-P214 HydrophobicContact CG-CG 4.2Å; L190-P214 WeakPolarHBondContact O-CG 3.39Å; L190-L217 HydrophobicContact CD2-CD1 4.42Å | ||
| 191 | S | 95.9 | Very high | 96.9 | Very high | 27 Ų | 27 | 37.4 Ų | 37.4 | 19% | 0.189 | 20% | 0.199 | C | C | . | . | trans | -60.5 | 135.7 | -177.9 | 177.7 | 0 | 0 | 0 | 0 | 111.9 | V193 I194 | S191-V193 PolarHBondContact O-N 3.42Å; S191-V193 WeakPolarHBondContact OG-CG2 3.33Å; S191-V193 PolarHBondContact OG-N 2.78Å; S191-I194 WeakPolarHBondContact O-CB 3.46Å; S191-I194 VanDerWaalsContact O-CG2 3.31Å; S191-I194 WeakPolarHBondContact O-CG2 3.36Å; S191-I194 PolarHBondContact O-N 3.25Å | ||
| 192 | P | 96.8 | Very high | 96.9 | Very high | 69 Ų | 69 | 39.3 Ų | 39.3 | 45% | 0.448 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -56.3 | -17.3 | 173.5 | -26.1 | 35.2 | 0 | 0 | 0 | 114.7 | I194 G195 P214 E216 | P192-I194 PolarHBondContact O-N 2.82Å; P192-G195 PolarHBondContact O-N 3.06Å; P192-G195 VanDerWaalsContact O-N 3.16Å; P192-P214 HydrophobicContact CB-CB 4.48Å; P192-P214 HydrophobicContact CG-CB 4.27Å; P192-E216 HydrophobicContact CB-CB 4.32Å; P192-E216 HydrophobicContact CB-CG 4.05Å |
| 193 | V | 96.4 | Very high | 96.9 | Very high | 12 Ų | 12 | 39.3 Ų | 39.3 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -55.4 | -30.2 | 172.2 | 174.6 | 0 | 0 | 0 | 0 | 112 | F171 A172 S191 G195 Q196 | F171-V193 HydrophobicContact CB-CG1 3.86Å; A172-V193 HydrophobicContact CB-CG1 4.07Å; S191-V193 PolarHBondContact O-N 3.42Å; S191-V193 WeakPolarHBondContact OG-CG2 3.33Å; S191-V193 PolarHBondContact OG-N 2.78Å; V193-G195 PolarHBondContact O-N 2.79Å; V193-G195 VanDerWaalsContact O-N 3.15Å; V193-Q196 WeakPolarHBondContact O-CB 3.26Å; V193-Q196 PolarHBondContact O-N 2.82Å |
| 194 | I | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -54 | -37.3 | 177.1 | -161.4 | 75.1 | 0 | 0 | 0 | 112 | L180 L190 S191 P192 Q196 L197 L203 P214 L217 L220 | L180-I194 HydrophobicContact CD2-CD1 3.78Å; L190-I194 HydrophobicContact CD1-CB 4.14Å; L190-I194 HydrophobicContact CD1-CD1 4.41Å; L190-I194 HydrophobicContact CD1-CG1 4.3Å; L190-I194 HydrophobicContact CD1-CG2 4.32Å; L190-I194 HydrophobicContact CD2-CG1 4.48Å; L190-I194 HydrophobicContact CD2-CG2 4.01Å; L190-I194 HydrophobicContact CG-CB 4.33Å; L190-I194 HydrophobicContact CG-CG2 3.95Å; S191-I194 WeakPolarHBondContact O-CB 3.46Å; S191-I194 VanDerWaalsContact O-CG2 3.31Å; S191-I194 WeakPolarHBondContact O-CG2 3.36Å; S191-I194 PolarHBondContact O-N 3.25Å; P192-I194 PolarHBondContact O-N 2.82Å; I194-Q196 PolarHBondContact O-N 2.75Å; I194-L197 HydrophobicContact CD1-CD1 3.8Å; I194-L197 PolarHBondContact O-N 2.69Å; I194-L203 HydrophobicContact CD1-CD1 4.28Å; I194-L203 HydrophobicContact CD1-CD2 4.29Å; I194-L203 HydrophobicContact CG1-CD2 4.06Å; I194-P214 HydrophobicContact CG2-CG 4.15Å; I194-L217 HydrophobicContact CG2-CD1 4.18Å; I194-L220 HydrophobicContact CG1-CD1 4.48Å |
| 195 | G | 95.9 | Very high | 97 | Very high | 7 Ų | 7 | 41.8 Ų | 41.8 | 7% | 0.072 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -72.3 | 8.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | P192 V193 E216 N219 | P192-G195 PolarHBondContact O-N 3.06Å; P192-G195 VanDerWaalsContact O-N 3.16Å; V193-G195 PolarHBondContact O-N 2.79Å; V193-G195 VanDerWaalsContact O-N 3.15Å; G195-E216 VanDerWaalsContact CA-O 3.22Å; G195-E216 WeakPolarHBondContact CA-O 3.43Å; G195-N219 VanDerWaalsContact O-CB 3.27Å; G195-N219 WeakPolarHBondContact O-CB 3.26Å; G195-N219 PolarHBondContact O-ND2 3.32Å |
| 196 | Q | 95.9 | Very high | 97 | Very high | 105 Ų | 105 | 42 Ų | 42 | 49% | 0.491 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -103.7 | -14.2 | 174.9 | -54.9 | -177.3 | 41.7 | 0 | 0 | 112.1 | V193 I194 S198 | V193-Q196 WeakPolarHBondContact O-CB 3.26Å; V193-Q196 PolarHBondContact O-N 2.82Å; I194-Q196 PolarHBondContact O-N 2.75Å; Q196-S198 PolarHBondContact O-N 2.95Å |
| 197 | L | 96.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -76.3 | 61.3 | -179.9 | -57.2 | -179.3 | 0 | 0 | 0 | 111.8 | F171 L174 L177 L180 I194 Q199 L200 L220 | F171-L197 VanDerWaalsContact O-CD2 3.22Å; F171-L197 WeakPolarHBondContact O-CD2 3.41Å; L174-L197 HydrophobicContact CB-CD2 4.16Å; L177-L197 HydrophobicContact CD2-CD1 4.19Å; L180-L197 HydrophobicContact CD2-CD1 4.16Å; I194-L197 HydrophobicContact CD1-CD1 3.8Å; I194-L197 PolarHBondContact O-N 2.69Å; L197-Q199 PolarHBondContact O-N 2.95Å; L197-L200 HydrophobicContact CB-CB 4.15Å; L197-L200 HydrophobicContact CD1-CD2 4.41Å; L197-L200 VanDerWaalsContact O-CB 3.22Å; L197-L200 WeakPolarHBondContact O-CB 3.06Å; L197-L200 PolarHBondContact O-N 2.94Å; L197-L220 HydrophobicContact CB-CD2 4.4Å; L197-L220 VanDerWaalsContact O-CD2 3.29Å; L197-L220 WeakPolarHBondContact O-CD2 3.21Å | ||
| 198 | S | 93.3 | Very high | 97.1 | Very high | 62 Ų | 62 | 42.9 Ų | 42.9 | 43% | 0.434 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -12.6 | -168.4 | 58.9 | 0 | 0 | 0 | 0 | 117.1 | Q196 N222 | Q196-S198 PolarHBondContact O-N 2.95Å; S198-N222 PolarHBondContact O-ND2 2.8Å |
| 199 | Q | 96.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 41 Ų | 41 | 42% | 0.416 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | -4.9 | 174.4 | -59 | -56.5 | -25.1 | 0 | 0 | 113.7 | I175 L177 L197 S201 | I175-Q199 VanDerWaalsContact O-CG 3.25Å; I175-Q199 WeakPolarHBondContact O-CG 3.03Å; L177-Q199 CarbonylContact O-C 3.58Å; L197-Q199 PolarHBondContact O-N 2.95Å; Q199-S201 PolarHBondContact O-N 2.87Å |
| 200 | L | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | -62.5 | 120.3 | -175.1 | -158.6 | 74.2 | 0 | 0 | 0 | 110.6 | L177 E178 L180 L197 L203 L220 N222 L223 | L177-L200 HydrophobicContact CD2-CD1 4.21Å; L177-L200 HydrophobicContact CG-CD1 4.18Å; L177-L200 VanDerWaalsContact O-CA 3.29Å; L177-L200 WeakPolarHBondContact O-CA 3.4Å; L177-L200 PolarHBondContact O-N 2.9Å; L177-L200 VanDerWaalsContact O-N 3.15Å; E178-L200 WeakPolarHBondContact O-CD1 3.48Å; L180-L200 HydrophobicContact CB-CD1 3.79Å; L197-L200 HydrophobicContact CB-CB 4.15Å; L197-L200 HydrophobicContact CD1-CD2 4.41Å; L197-L200 VanDerWaalsContact O-CB 3.22Å; L197-L200 WeakPolarHBondContact O-CB 3.06Å; L197-L200 PolarHBondContact O-N 2.94Å; L200-L203 HydrophobicContact CD2-CB 3.85Å; L200-L203 HydrophobicContact CD2-CD1 4.24Å; L200-L203 HydrophobicContact CD2-CD2 4.2Å; L200-L203 HydrophobicContact CD2-CG 4.31Å; L200-L220 HydrophobicContact CD2-CD1 4.07Å; L200-N222 CarbonylContact O-C 3.48Å; L200-L223 HydrophobicContact CB-CD1 4.37Å; L200-L223 HydrophobicContact CD2-CD1 4.17Å; L200-L223 HydrophobicContact CG-CD1 4.09Å; L200-L223 VanDerWaalsContact O-CA 3.26Å; L200-L223 WeakPolarHBondContact O-CA 3.42Å; L200-L223 PolarHBondContact O-N 3.09Å | ||
| 201 | S | 98.2 | Very high | 97.2 | Very high | 24 Ų | 24 | 40.9 Ų | 40.9 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | trans | -105.9 | -31.2 | -179.6 | 61.1 | 0 | 0 | 0 | 0 | 111.8 | E178 Q199 Q224 Q225 | E178-S201 PolarHBondContact O-N 2.86Å; E178-S201 PolarHBondContact O-OG 3.35Å; E178-S201 VanDerWaalsContact O-OG 3.07Å; Q199-S201 PolarHBondContact O-N 2.87Å; S201-Q224 WeakPolarHBondContact O-CA 3.37Å; S201-Q224 PolarHBondContact O-N 3.02Å; S201-Q225 PolarHBondContact O-N 2.66Å | ||
| 202 | E | 98.6 | Very high | 97.2 | Very high | 48 Ų | 48 | 42.7 Ų | 42.7 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 125.5 | 176.9 | -61.4 | -173.9 | -160.3 | 0 | 0 | 111 | E178 F179 L180 Q225 | E178-E202 PolarHBondContact O-N 3.03Å; F179-E202 HydrophobicContact CD2-CB 3.71Å; F179-E202 HydrophobicContact CD2-CG 4.38Å; F179-E202 WeakPolarHBondContact CD2-OE2 3.44Å; F179-E202 HydrophobicContact CE2-CB 4.2Å; F179-E202 VanDerWaalsContact CE2-OE2 3.31Å; F179-E202 WeakPolarHBondContact CE2-OE2 3.31Å; L180-E202 PolarHBondContact N-O 2.8Å; E202-Q225 HydrophobicContact CG-CB 4.11Å; E202-Q225 HydrophobicContact CG-CG 4.14Å; E202-Q225 PolarHBondContact OE1-NE2 3.12Å; E202-Q225 VanDerWaalsContact OE1-NE2 3.14Å |
| 203 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 115.9 | 175.4 | 176.4 | 57.5 | 0 | 0 | 0 | 110 | L180 I194 L200 L217 L223 Q225 L226 D227 | L180-L203 HydrophobicContact CB-CD1 4.18Å; L180-L203 HydrophobicContact CD2-CD1 4.08Å; L180-L203 HydrophobicContact CG-CD1 4.09Å; L180-L203 WeakPolarHBondContact O-CA 3.37Å; I194-L203 HydrophobicContact CD1-CD1 4.28Å; I194-L203 HydrophobicContact CD1-CD2 4.29Å; I194-L203 HydrophobicContact CG1-CD2 4.06Å; L200-L203 HydrophobicContact CD2-CB 3.85Å; L200-L203 HydrophobicContact CD2-CD1 4.24Å; L200-L203 HydrophobicContact CD2-CD2 4.2Å; L200-L203 HydrophobicContact CD2-CG 4.31Å; L203-L217 HydrophobicContact CD2-CD1 4.03Å; L203-L223 HydrophobicContact CB-CD1 3.85Å; L203-Q225 PolarHBondContact N-O 3.12Å; L203-L226 HydrophobicContact CB-CD1 4.1Å; L203-L226 HydrophobicContact CD2-CD1 3.99Å; L203-L226 HydrophobicContact CG-CD1 4.03Å; L203-L226 WeakPolarHBondContact O-CA 3.32Å; L203-D227 PolarHBondContact O-N 2.83Å |
| 204 | W | 98.5 | Very high | 97.3 | Very high | 65 Ų | 65 | 40.5 Ų | 40.5 | 25% | 0.246 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.6 | 172.8 | -54 | -12.1 | 0 | 0 | 0 | 108.9 | F179 L180 D181 L182 D227 | F179-W204 HydrophobicContact CE2-CD2 4.4Å; F179-W204 AromaticContact CE2-CE2 3.97Å; F179-W204 HydrophobicContact CE2-CH2 4.02Å; F179-W204 AromaticContact CE2-CZ2 3.77Å; F179-W204 HydrophobicContact CE2-CZ2 3.77Å; F179-W204 HydrophobicContact CE2-CZ3 4.44Å; F179-W204 HydrophobicContact CZ-CD2 4.09Å; F179-W204 AromaticContact CZ-CE3 3.95Å; F179-W204 HydrophobicContact CZ-CE3 3.95Å; F179-W204 AromaticContact CZ-CH2 3.88Å; F179-W204 HydrophobicContact CZ-CH2 3.88Å; F179-W204 HydrophobicContact CZ-CZ2 4.01Å; F179-W204 AromaticContact CZ-CZ3 3.86Å; F179-W204 HydrophobicContact CZ-CZ3 3.86Å; L180-W204 PolarHBondContact O-N 2.9Å; D181-W204 HydrophobicContact CB-CB 4.42Å; D181-W204 HydrophobicContact CB-CE3 4.11Å; L182-W204 PolarHBondContact N-O 2.85Å; W204-D227 HydrophobicContact CB-CB 4.47Å; W204-D227 HydrophobicContact CG-CB 4.46Å |
| 205 | I | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -146.6 | 36.9 | 176.4 | -163.9 | 167.8 | 0 | 0 | 0 | 110.2 | L182 F187 L190 L210 D227 L228 N231 | L182-I205 HydrophobicContact CB-CB 4.28Å; L182-I205 HydrophobicContact CB-CD1 4.2Å; L182-I205 HydrophobicContact CB-CG1 3.94Å; L182-I205 HydrophobicContact CD1-CD1 3.99Å; F187-I205 HydrophobicContact CG-CD1 4.44Å; L190-I205 HydrophobicContact CD1-CD1 3.86Å; L190-I205 HydrophobicContact CD2-CD1 4.48Å; I205-L210 HydrophobicContact CD1-CD1 3.99Å; I205-L210 HydrophobicContact CG1-CD1 4.06Å; I205-L210 HydrophobicContact CG2-CD1 3.99Å; I205-D227 PolarHBondContact N-O 2.86Å; I205-L228 HydrophobicContact CG2-CD2 3.43Å; I205-L228 VanDerWaalsContact CG2-CD2 3.43Å; I205-L228 HydrophobicContact CG2-CG 4.39Å; I205-N231 PolarHBondContact O-ND2 3.23Å | ||
| 206 | D | 98.4 | Very high | 97.4 | Very high | 18 Ų | 18 | 49.5 Ų | 49.5 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | trans | -69.4 | 167 | 171.9 | 60.8 | -71.5 | 0 | 0 | 0 | 112.6 | R160 G183 A184 N208 S229 | R160-D206 IonicContact CZ-OD1 3.38Å; R160-D206 IonicContact CZ-OD2 2.81Å; R160-D206 IonicContact NH1-OD2 2.73Å; R160-D206 PolarHBondContact NH1-OD2 3.05Å; R160-D206 IonicContact NH2-OD1 2.64Å; R160-D206 PolarHBondContact NH2-OD1 3.17Å; R160-D206 IonicContact NH2-OD2 2.71Å; R160-D206 PolarHBondContact NH2-OD2 3.13Å; G183-D206 CarbonylContact C-O 3.46Å; G183-D206 WeakPolarHBondContact CA-O 3.15Å; A184-D206 PolarHBondContact N-O 3.37Å; D206-N208 PolarHBondContact O-ND2 3.46Å; D206-S229 CarbonylContact C-O 3.4Å; D206-S229 WeakPolarHBondContact CA-O 3.23Å; D206-S229 WeakPolarHBondContact CB-O 3.29Å | ||
| 207 | D | 98 | Very high | 97.5 | Very high | 81 Ų | 81 | 44.6 Ų | 44.6 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 49 | 64.6 | -179 | -171.1 | 22.7 | 0 | 0 | 0 | 112 | A184 N185 S229 E230 | A184-D207 WeakPolarHBondContact CA-O 3.4Å; A184-D207 HydrophobicContact CB-CB 4.27Å; A184-D207 WeakPolarHBondContact CB-OD2 3.36Å; A184-D207 PolarHBondContact N-O 3.45Å; N185-D207 PolarHBondContact N-O 2.76Å; D207-S229 PolarHBondContact N-O 3.04Å; D207-S229 VanDerWaalsContact N-O 3.12Å; D207-E230 VanDerWaalsContact CA-O 3.22Å; D207-E230 WeakPolarHBondContact CA-O 3.49Å; D207-E230 HydrophobicContact CB-CB 4.34Å; D207-E230 PolarHBondContact N-O 3.22Å |
| 208 | N | 98.1 | Very high | 97.5 | Very high | 11 Ų | 11 | 45 Ų | 45 | 6% | 0.059 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -147.2 | 176.2 | -176 | -91 | -82.8 | 0 | 0 | 0 | 110.5 | L182 N185 F187 D206 L210 E230 N231 | L182-N208 PolarHBondContact O-ND2 2.6Å; L182-N208 VanDerWaalsContact O-ND2 3.07Å; N185-N208 WeakPolarHBondContact CB-OD1 3.26Å; N185-N208 PolarHBondContact O-OD1 3.09Å; N185-N208 VanDerWaalsContact O-OD1 3.13Å; F187-N208 WeakPolarHBondContact CB-OD1 3.03Å; F187-N208 WeakPolarHBondContact CD2-OD1 3.38Å; F187-N208 PolarHBondContact N-OD1 3.19Å; D206-N208 PolarHBondContact O-ND2 3.46Å; N208-L210 HydrophobicContact CB-CG 4.41Å; N208-E230 PolarHBondContact N-O 3.17Å; N208-E230 VanDerWaalsContact N-O 3.11Å; N208-N231 VanDerWaalsContact C-OD1 3.22Å; N208-N231 VanDerWaalsContact CB-OD1 3.24Å; N208-N231 WeakPolarHBondContact CB-OD1 3.26Å; N208-N231 WeakPolarHBondContact O-CA 3.22Å; N208-N231 PolarHBondContact O-OD1 3.47Å |
| 209 | E | 97.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 47.1 Ų | 47.1 | 38% | 0.383 | 23% | 0.23 | S | C | . | . | trans | -98.3 | 18 | -176.6 | -62.3 | -169 | 175.7 | 0 | 0 | 113.8 | F187 Q188 R211 | F187-E209 CarbonylContact O-C 3.14Å; F187-E209 VanDerWaalsContact O-C 3.25Å; F187-E209 WeakPolarHBondContact O-CA 3.4Å; F187-E209 PolarHBondContact O-N 3.27Å; Q188-E209 HydrophobicContact CG-CB 3.8Å; Q188-E209 WeakPolarHBondContact CG-OE2 3.28Å; Q188-E209 PolarHBondContact NE2-OE2 3.04Å; E209-R211 PolarHBondContact O-N 3.2Å | ||
| 210 | L | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -64.4 | 126.1 | -171.2 | -60.3 | 174.8 | 0 | 0 | 0 | 112.2 | F187 E189 L190 I205 N208 L213 L228 N231 L232 I233 | F187-L210 HydrophobicContact CB-CD2 4.01Å; F187-L210 PolarHBondContact O-N 3.01Å; E189-L210 VanDerWaalsContact C-CD2 3.5Å; L190-L210 HydrophobicContact CB-CD2 4.06Å; I205-L210 HydrophobicContact CD1-CD1 3.99Å; I205-L210 HydrophobicContact CG1-CD1 4.06Å; I205-L210 HydrophobicContact CG2-CD1 3.99Å; N208-L210 HydrophobicContact CB-CG 4.41Å; L210-L213 HydrophobicContact CD1-CD2 4.33Å; L210-L228 HydrophobicContact CD1-CD2 4.22Å; L210-N231 HydrophobicContact CB-CB 4.48Å; L210-N231 WeakPolarHBondContact CB-OD1 3.25Å; L210-N231 VanDerWaalsContact CG-OD1 3.26Å; L210-N231 WeakPolarHBondContact CG-OD1 3.39Å; L210-N231 PolarHBondContact N-OD1 3.07Å; L210-L232 CarbonylContact O-C 3.29Å; L210-L232 WeakPolarHBondContact O-CA 3.47Å; L210-L232 WeakPolarHBondContact O-CB 3.29Å; L210-L232 PolarHBondContact O-N 3.01Å; L210-I233 HydrophobicContact CB-CG1 4.29Å; L210-I233 WeakPolarHBondContact O-CG1 3.41Å; L210-I233 PolarHBondContact O-N 3Å | ||
| 211 | R | 97.1 | Very high | 97.6 | Very high | 157 Ų | 157 | 44 Ų | 44 | 59% | 0.592 | 22% | 0.222 | S | C | * | . | trans | -96.7 | -21.3 | 178.9 | -63.1 | 174.4 | -177.6 | -107.6 | -5.4 | 114.2 | E209 L232 S234 | E209-R211 PolarHBondContact O-N 3.2Å; R211-L232 HydrophobicContact CG-CB 4.14Å; R211-S234 PolarHBondContact O-N 2.9Å | ||
| 212 | S | 96.9 | Very high | 97.6 | Very high | 66 Ų | 66 | 46.3 Ų | 46.3 | 46% | 0.462 | 23% | 0.232 | S | C | . | . | trans | -165.2 | 159.6 | -174.7 | 54.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 213 | L | 97.5 | Very high | 97.6 | Very high | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | trans | -108.2 | 144.6 | 179.4 | -56.1 | 172.2 | 0 | 0 | 0 | 111.5 | L210 L217 L228 I233 L236 P237 | L210-L213 HydrophobicContact CD1-CD2 4.33Å; L213-L217 HydrophobicContact CB-CD2 4.21Å; L213-L217 HydrophobicContact CD1-CD2 3.84Å; L213-L217 HydrophobicContact CG-CD2 4.41Å; L213-L228 HydrophobicContact CD1-CD1 3.63Å; L213-L228 HydrophobicContact CD1-CD2 4.49Å; L213-L228 HydrophobicContact CD2-CD1 4.39Å; L213-L228 HydrophobicContact CD2-CD2 3.75Å; L213-I233 HydrophobicContact CD1-CD1 4.39Å; L213-I233 HydrophobicContact CD2-CD1 4.01Å; L213-I233 HydrophobicContact CG-CD1 4.21Å; L213-L236 HydrophobicContact CD1-CD2 3.8Å; L213-P237 HydrophobicContact CB-CG 4.25Å | ||
| 214 | P | 97.1 | Very high | 97.6 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 12% | 0.117 | 24% | 0.239 | C | C | . | . | trans | -65 | 142.1 | 172.5 | 29.4 | -35.7 | 0 | 0 | 0 | 110 | L190 P192 I194 E216 L217 | L190-P214 HydrophobicContact CB-CG 4.36Å; L190-P214 HydrophobicContact CD2-CG 4.44Å; L190-P214 HydrophobicContact CG-CG 4.2Å; L190-P214 WeakPolarHBondContact O-CG 3.39Å; P192-P214 HydrophobicContact CB-CB 4.48Å; P192-P214 HydrophobicContact CG-CB 4.27Å; I194-P214 HydrophobicContact CG2-CG 4.15Å; P214-E216 PolarHBondContact O-N 2.92Å; P214-L217 HydrophobicContact CG-CB 4.49Å; P214-L217 VanDerWaalsContact O-CB 3.27Å; P214-L217 WeakPolarHBondContact O-CB 3.37Å; P214-L217 PolarHBondContact O-N 3.05Å; P214-L217 VanDerWaalsContact O-N 3.1Å | ||
| 215 | K | 96.9 | Very high | 97.6 | Very high | 140 Ų | 140 | 47.7 Ų | 47.7 | 61% | 0.609 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | -61.4 | -28.5 | 177.8 | 63.7 | -179.8 | -178.2 | -175 | 0 | 111.8 | L217 G218 S239 | K215-L217 PolarHBondContact O-N 2.98Å; K215-G218 PolarHBondContact O-N 2.84Å; K215-S239 WeakPolarHBondContact CA-OG 3.5Å; K215-S239 WeakPolarHBondContact O-CB 3.46Å; K215-S239 PolarHBondContact O-OG 3.16Å |
| 216 | E | 97.4 | Very high | 97.6 | Very high | 57 Ų | 57 | 47.9 Ų | 47.9 | 27% | 0.266 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -61.5 | -20 | 177.2 | -70.1 | 72 | -161.3 | 0 | 0 | 113.1 | P192 G195 P214 G218 N219 | P192-E216 HydrophobicContact CB-CB 4.32Å; P192-E216 HydrophobicContact CB-CG 4.05Å; G195-E216 VanDerWaalsContact CA-O 3.22Å; G195-E216 WeakPolarHBondContact CA-O 3.43Å; P214-E216 PolarHBondContact O-N 2.92Å; E216-G218 PolarHBondContact O-N 2.94Å; E216-N219 VanDerWaalsContact O-CB 3.26Å; E216-N219 WeakPolarHBondContact O-CB 3.27Å; E216-N219 VanDerWaalsContact O-CG 3.27Å; E216-N219 PolarHBondContact O-N 3.18Å; E216-N219 PolarHBondContact O-ND2 3.19Å |
| 217 | L | 97.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -54.3 | -35.7 | 172.1 | -174 | 69.4 | 0 | 0 | 0 | 111.6 | L190 I194 L203 L213 P214 K215 N219 L220 L226 L243 | L190-L217 HydrophobicContact CD2-CD1 4.42Å; I194-L217 HydrophobicContact CG2-CD1 4.18Å; L203-L217 HydrophobicContact CD2-CD1 4.03Å; L213-L217 HydrophobicContact CB-CD2 4.21Å; L213-L217 HydrophobicContact CD1-CD2 3.84Å; L213-L217 HydrophobicContact CG-CD2 4.41Å; P214-L217 HydrophobicContact CG-CB 4.49Å; P214-L217 VanDerWaalsContact O-CB 3.27Å; P214-L217 WeakPolarHBondContact O-CB 3.37Å; P214-L217 PolarHBondContact O-N 3.05Å; P214-L217 VanDerWaalsContact O-N 3.1Å; K215-L217 PolarHBondContact O-N 2.98Å; L217-N219 PolarHBondContact O-N 2.83Å; L217-L220 HydrophobicContact CD1-CD1 3.91Å; L217-L220 WeakPolarHBondContact O-CB 3.17Å; L217-L220 WeakPolarHBondContact O-CG 3.37Å; L217-L220 PolarHBondContact O-N 3.25Å; L217-L220 VanDerWaalsContact O-N 3.14Å; L217-L226 HydrophobicContact CD2-CD2 4.26Å; L217-L243 VanDerWaalsContact O-CD2 3.31Å; L217-L243 WeakPolarHBondContact O-CD2 3.21Å |
| 218 | G | 96.9 | Very high | 97.6 | Very high | 10 Ų | 10 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -63.3 | -6.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | K215 E216 L220 S239 G242 | K215-G218 PolarHBondContact O-N 2.84Å; E216-G218 PolarHBondContact O-N 2.94Å; G218-L220 VanDerWaalsContact C-N 3.29Å; G218-S239 WeakPolarHBondContact CA-O 3.25Å; G218-G242 CarbonylContact O-C 3.25Å; G218-G242 VanDerWaalsContact O-CA 3.29Å; G218-G242 WeakPolarHBondContact O-CA 3.42Å |
| 219 | N | 97.1 | Very high | 97.6 | Very high | 106 Ų | 106 | 44.9 Ų | 44.9 | 57% | 0.567 | 23% | 0.227 | S | C | * | . | G | 310 helix | trans | -78 | -14.1 | 173.7 | -62.3 | -18.5 | 0 | 0 | 0 | 112.8 | G195 E216 L217 G221 | G195-N219 VanDerWaalsContact O-CB 3.27Å; G195-N219 WeakPolarHBondContact O-CB 3.26Å; G195-N219 PolarHBondContact O-ND2 3.32Å; E216-N219 VanDerWaalsContact O-CB 3.26Å; E216-N219 WeakPolarHBondContact O-CB 3.27Å; E216-N219 VanDerWaalsContact O-CG 3.27Å; E216-N219 PolarHBondContact O-N 3.18Å; E216-N219 PolarHBondContact O-ND2 3.19Å; L217-N219 PolarHBondContact O-N 2.83Å; N219-G221 PolarHBondContact O-N 3.15Å |
| 220 | L | 97.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -80.1 | 63.6 | -175.2 | -58.6 | -177 | 0 | 0 | 0 | 112.2 | I194 L197 L200 L217 G218 N222 L223 L243 | I194-L220 HydrophobicContact CG1-CD1 4.48Å; L197-L220 HydrophobicContact CB-CD2 4.4Å; L197-L220 VanDerWaalsContact O-CD2 3.29Å; L197-L220 WeakPolarHBondContact O-CD2 3.21Å; L200-L220 HydrophobicContact CD2-CD1 4.07Å; L217-L220 HydrophobicContact CD1-CD1 3.91Å; L217-L220 WeakPolarHBondContact O-CB 3.17Å; L217-L220 WeakPolarHBondContact O-CG 3.37Å; L217-L220 PolarHBondContact O-N 3.25Å; L217-L220 VanDerWaalsContact O-N 3.14Å; G218-L220 VanDerWaalsContact C-N 3.29Å; L220-N222 PolarHBondContact O-N 2.99Å; L220-L223 HydrophobicContact CB-CB 4.02Å; L220-L223 HydrophobicContact CD1-CD2 4.41Å; L220-L223 VanDerWaalsContact O-CB 3.26Å; L220-L223 WeakPolarHBondContact O-CB 3.26Å; L220-L223 PolarHBondContact O-N 2.9Å; L220-L243 HydrophobicContact CB-CD2 3.85Å; L220-L243 WeakPolarHBondContact O-CD2 3.28Å | ||
| 221 | G | 96.3 | Very high | 97.7 | Very high | 22 Ų | 22 | 45.2 Ų | 45.2 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -11.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | N219 V244 S245 | N219-G221 PolarHBondContact O-N 3.15Å; G221-V244 WeakPolarHBondContact O-CG2 3.14Å; G221-S245 WeakPolarHBondContact O-CB 3.49Å; G221-S245 PolarHBondContact O-N 2.83Å; G221-S245 PolarHBondContact O-OG 3.17Å |
| 222 | N | 97.3 | Very high | 97.7 | Very high | 72 Ų | 72 | 41.5 Ų | 41.5 | 39% | 0.385 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -9.5 | 173.9 | -74.1 | -28.7 | 0 | 0 | 0 | 113.6 | S198 L200 L220 Q224 | S198-N222 PolarHBondContact O-ND2 2.8Å; L200-N222 CarbonylContact O-C 3.48Å; L220-N222 PolarHBondContact O-N 2.99Å; N222-Q224 WeakPolarHBondContact O-CG 3.49Å; N222-Q224 PolarHBondContact O-N 2.93Å |
| 223 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -64.4 | 126 | -177.3 | -160.6 | 72.1 | 0 | 0 | 0 | 110.3 | L200 L203 L220 L226 L243 S245 L246 | L200-L223 HydrophobicContact CB-CD1 4.37Å; L200-L223 HydrophobicContact CD2-CD1 4.17Å; L200-L223 HydrophobicContact CG-CD1 4.09Å; L200-L223 VanDerWaalsContact O-CA 3.26Å; L200-L223 WeakPolarHBondContact O-CA 3.42Å; L200-L223 PolarHBondContact O-N 3.09Å; L203-L223 HydrophobicContact CB-CD1 3.85Å; L220-L223 HydrophobicContact CB-CB 4.02Å; L220-L223 HydrophobicContact CD1-CD2 4.41Å; L220-L223 VanDerWaalsContact O-CB 3.26Å; L220-L223 WeakPolarHBondContact O-CB 3.26Å; L220-L223 PolarHBondContact O-N 2.9Å; L223-L226 HydrophobicContact CD2-CB 4Å; L223-L226 HydrophobicContact CD2-CD1 4.28Å; L223-L226 HydrophobicContact CD2-CD2 4.12Å; L223-L226 HydrophobicContact CD2-CG 4.37Å; L223-L243 HydrophobicContact CB-CD2 4.26Å; L223-L243 HydrophobicContact CD2-CD1 4.26Å; L223-L243 HydrophobicContact CD2-CD2 4.1Å; L223-S245 CarbonylContact O-C 3.25Å; L223-L246 HydrophobicContact CB-CD1 4.49Å; L223-L246 HydrophobicContact CD2-CD1 4.23Å; L223-L246 HydrophobicContact CG-CD1 4.19Å; L223-L246 VanDerWaalsContact O-CA 3.25Å; L223-L246 WeakPolarHBondContact O-CA 3.22Å; L223-L246 PolarHBondContact O-N 3.02Å | ||
| 224 | Q | 98.3 | Very high | 97.7 | Very high | 78 Ų | 78 | 40.1 Ų | 40.1 | 36% | 0.364 | 21% | 0.212 | S | C | . | . | trans | -106.2 | -43.3 | -178.9 | -57 | -173.4 | 5.7 | 0 | 0 | 110.9 | S201 N222 L246 S247 D248 | S201-Q224 WeakPolarHBondContact O-CA 3.37Å; S201-Q224 PolarHBondContact O-N 3.02Å; N222-Q224 WeakPolarHBondContact O-CG 3.49Å; N222-Q224 PolarHBondContact O-N 2.93Å; Q224-L246 WeakPolarHBondContact O-CD1 3.42Å; Q224-S247 PolarHBondContact O-N 2.89Å; Q224-S247 PolarHBondContact O-OG 3.02Å; Q224-D248 PolarHBondContact O-N 3.08Å | ||
| 225 | Q | 98.5 | Very high | 97.6 | Very high | 65 Ų | 65 | 42.8 Ų | 42.8 | 30% | 0.304 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.1 | 179 | -49.8 | -174.4 | 37 | 0 | 0 | 111.1 | S201 E202 L203 D248 | S201-Q225 PolarHBondContact O-N 2.66Å; E202-Q225 HydrophobicContact CG-CB 4.11Å; E202-Q225 HydrophobicContact CG-CG 4.14Å; E202-Q225 PolarHBondContact OE1-NE2 3.12Å; E202-Q225 VanDerWaalsContact OE1-NE2 3.14Å; L203-Q225 PolarHBondContact N-O 3.12Å; Q225-D248 WeakPolarHBondContact CA-O 3.34Å; Q225-D248 HydrophobicContact CB-CB 4.36Å; Q225-D248 HydrophobicContact CG-CB 4.12Å |
| 226 | L | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 36.9 Ų | 36.9 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 110.9 | 176.4 | 178.2 | 54.9 | 0 | 0 | 0 | 109.9 | L203 L217 L223 L228 I240 L243 L246 D248 L249 N250 | L203-L226 HydrophobicContact CB-CD1 4.1Å; L203-L226 HydrophobicContact CD2-CD1 3.99Å; L203-L226 HydrophobicContact CG-CD1 4.03Å; L203-L226 WeakPolarHBondContact O-CA 3.32Å; L217-L226 HydrophobicContact CD2-CD2 4.26Å; L223-L226 HydrophobicContact CD2-CB 4Å; L223-L226 HydrophobicContact CD2-CD1 4.28Å; L223-L226 HydrophobicContact CD2-CD2 4.12Å; L223-L226 HydrophobicContact CD2-CG 4.37Å; L226-L228 HydrophobicContact CD1-CD1 3.98Å; L226-L228 HydrophobicContact CD1-CD2 4.47Å; L226-L228 HydrophobicContact CD1-CG 3.85Å; L226-L228 HydrophobicContact CD2-CD1 3.71Å; L226-L228 HydrophobicContact CD2-CG 4.47Å; L226-L228 HydrophobicContact CG-CD1 3.71Å; L226-L228 HydrophobicContact CG-CG 3.95Å; L226-I240 HydrophobicContact CD2-CD1 4.48Å; L226-L243 HydrophobicContact CD2-CD1 3.84Å; L226-L246 HydrophobicContact CB-CD1 3.82Å; L226-D248 PolarHBondContact N-O 2.58Å; L226-L249 HydrophobicContact CB-CD1 4.06Å; L226-L249 HydrophobicContact CD2-CD1 3.98Å; L226-L249 HydrophobicContact CG-CD1 4Å; L226-N250 PolarHBondContact O-N 3.19Å |
| 227 | D | 98.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 35.4 Ų | 35.4 | 20% | 0.198 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 121.7 | 170.2 | -150.3 | -41.1 | 0 | 0 | 0 | 110.8 | L203 W204 I205 S229 N250 | L203-D227 PolarHBondContact O-N 2.83Å; W204-D227 HydrophobicContact CB-CB 4.47Å; W204-D227 HydrophobicContact CG-CB 4.46Å; I205-D227 PolarHBondContact N-O 2.86Å; D227-S229 VanDerWaalsContact OD1-CB 3.32Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 3.24Å; D227-S229 PolarHBondContact OD1-OG 3.03Å; D227-N250 HydrophobicContact CB-CB 4.45Å; D227-N250 VanDerWaalsContact CG-ND2 3.31Å; D227-N250 PolarHBondContact OD1-ND2 2.87Å; D227-N250 VanDerWaalsContact OD1-ND2 3.09Å; D227-N250 WeakPolarHBondContact OD2-CB 3.36Å; D227-N250 PolarHBondContact OD2-ND2 2.67Å |
| 228 | L | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | trans | -131.3 | 16.6 | -178.1 | -77.1 | 168 | 0 | 0 | 0 | 110.6 | I205 L210 L213 L226 I233 N250 L251 N254 | I205-L228 HydrophobicContact CG2-CD2 3.43Å; I205-L228 VanDerWaalsContact CG2-CD2 3.43Å; I205-L228 HydrophobicContact CG2-CG 4.39Å; L210-L228 HydrophobicContact CD1-CD2 4.22Å; L213-L228 HydrophobicContact CD1-CD1 3.63Å; L213-L228 HydrophobicContact CD1-CD2 4.49Å; L213-L228 HydrophobicContact CD2-CD1 4.39Å; L213-L228 HydrophobicContact CD2-CD2 3.75Å; L226-L228 HydrophobicContact CD1-CD1 3.98Å; L226-L228 HydrophobicContact CD1-CD2 4.47Å; L226-L228 HydrophobicContact CD1-CG 3.85Å; L226-L228 HydrophobicContact CD2-CD1 3.71Å; L226-L228 HydrophobicContact CD2-CG 4.47Å; L226-L228 HydrophobicContact CG-CD1 3.71Å; L226-L228 HydrophobicContact CG-CG 3.95Å; L228-I233 HydrophobicContact CB-CD1 4.21Å; L228-I233 HydrophobicContact CD2-CD1 4.01Å; L228-N250 CarbonylContact C-O 3.36Å; L228-N250 WeakPolarHBondContact CA-O 3.43Å; L228-N250 WeakPolarHBondContact CB-O 3.22Å; L228-N250 PolarHBondContact N-O 2.91Å; L228-L251 HydrophobicContact CB-CD2 3.73Å; L228-L251 HydrophobicContact CD1-CD2 3.79Å; L228-L251 HydrophobicContact CG-CD2 4.44Å; L228-N254 PolarHBondContact O-ND2 3.26Å | ||
| 229 | S | 98.4 | Very high | 97.4 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | trans | -69 | 164.3 | -178.4 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | D206 D207 D227 N231 N250 S252 | D206-S229 CarbonylContact C-O 3.4Å; D206-S229 WeakPolarHBondContact CA-O 3.23Å; D206-S229 WeakPolarHBondContact CB-O 3.29Å; D207-S229 PolarHBondContact N-O 3.04Å; D207-S229 VanDerWaalsContact N-O 3.12Å; D227-S229 VanDerWaalsContact OD1-CB 3.32Å; D227-S229 WeakPolarHBondContact OD1-CB 3.49Å; D227-S229 PolarHBondContact OD1-N 3.24Å; D227-S229 PolarHBondContact OD1-OG 3.03Å; S229-N231 PolarHBondContact O-N 2.8Å; S229-N231 PolarHBondContact O-ND2 3.34Å; S229-N250 WeakPolarHBondContact CB-ND2 3.31Å; S229-N250 PolarHBondContact N-O 2.83Å; S229-N250 PolarHBondContact OG-ND2 2.97Å; S229-S252 CarbonylContact C-O 3.46Å; S229-S252 WeakPolarHBondContact CA-O 3.29Å; S229-S252 WeakPolarHBondContact CB-O 3.45Å | ||
| 230 | E | 98 | Very high | 97.4 | Very high | 83 Ų | 83 | 36.4 Ų | 36.4 | 39% | 0.388 | 20% | 0.201 | S | C | . | . | S | Bend | trans | 54.9 | 52.6 | 177.4 | -63.7 | -177.3 | -135.9 | 0 | 0 | 112 | D207 N208 S252 Q253 | D207-E230 VanDerWaalsContact CA-O 3.22Å; D207-E230 WeakPolarHBondContact CA-O 3.49Å; D207-E230 HydrophobicContact CB-CB 4.34Å; D207-E230 PolarHBondContact N-O 3.22Å; N208-E230 PolarHBondContact N-O 3.17Å; N208-E230 VanDerWaalsContact N-O 3.11Å; E230-S252 PolarHBondContact N-O 2.89Å; E230-Q253 VanDerWaalsContact CA-O 3.32Å; E230-Q253 WeakPolarHBondContact CA-O 2.81Å; E230-Q253 HydrophobicContact CB-CB 4.47Å; E230-Q253 HydrophobicContact CG-CB 3.7Å; E230-Q253 HydrophobicContact CG-CG 4.2Å; E230-Q253 PolarHBondContact N-O 2.85Å; E230-Q253 PolarHBondContact OE1-NE2 2.95Å |
| 231 | N | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 38.1 Ų | 38.1 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -135.4 | -177.9 | -179.1 | -90.8 | -89.4 | 0 | 0 | 0 | 110.9 | I205 N208 L210 S229 I233 Q253 N254 | I205-N231 PolarHBondContact O-ND2 3.23Å; N208-N231 VanDerWaalsContact C-OD1 3.22Å; N208-N231 VanDerWaalsContact CB-OD1 3.24Å; N208-N231 WeakPolarHBondContact CB-OD1 3.26Å; N208-N231 WeakPolarHBondContact O-CA 3.22Å; N208-N231 PolarHBondContact O-OD1 3.47Å; L210-N231 HydrophobicContact CB-CB 4.48Å; L210-N231 WeakPolarHBondContact CB-OD1 3.25Å; L210-N231 VanDerWaalsContact CG-OD1 3.26Å; L210-N231 WeakPolarHBondContact CG-OD1 3.39Å; L210-N231 PolarHBondContact N-OD1 3.07Å; S229-N231 PolarHBondContact O-N 2.8Å; S229-N231 PolarHBondContact O-ND2 3.34Å; N231-I233 HydrophobicContact CB-CD1 4.34Å; N231-I233 HydrophobicContact CB-CG1 4.2Å; N231-Q253 PolarHBondContact N-O 2.95Å; N231-Q253 VanDerWaalsContact N-O 3.13Å; N231-N254 WeakPolarHBondContact CB-OD1 3.22Å; N231-N254 WeakPolarHBondContact O-CA 3.41Å; N231-N254 PolarHBondContact O-OD1 3.22Å |
| 232 | L | 97.9 | Very high | 97.4 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 41% | 0.408 | 21% | 0.214 | S | C | . | . | trans | -106.9 | 22 | -177.6 | -58.3 | 178.7 | 0 | 0 | 0 | 113.1 | L210 R211 S234 | L210-L232 CarbonylContact O-C 3.29Å; L210-L232 WeakPolarHBondContact O-CA 3.47Å; L210-L232 WeakPolarHBondContact O-CB 3.29Å; L210-L232 PolarHBondContact O-N 3.01Å; R211-L232 HydrophobicContact CG-CB 4.14Å; L232-S234 PolarHBondContact O-N 2.72Å | ||
| 233 | I | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 20% | 0.196 | C | C | . | . | trans | -68.3 | 126.9 | -172 | -57.7 | 170.1 | 0 | 0 | 0 | 109.7 | L210 L213 L228 N231 T235 L236 N254 S255 I256 | L210-I233 HydrophobicContact CB-CG1 4.29Å; L210-I233 WeakPolarHBondContact O-CG1 3.41Å; L210-I233 PolarHBondContact O-N 3Å; L213-I233 HydrophobicContact CD1-CD1 4.39Å; L213-I233 HydrophobicContact CD2-CD1 4.01Å; L213-I233 HydrophobicContact CG-CD1 4.21Å; L228-I233 HydrophobicContact CB-CD1 4.21Å; L228-I233 HydrophobicContact CD2-CD1 4.01Å; N231-I233 HydrophobicContact CB-CD1 4.34Å; N231-I233 HydrophobicContact CB-CG1 4.2Å; I233-T235 WeakPolarHBondContact CG2-O 3.46Å; I233-L236 HydrophobicContact CG2-CD2 4.13Å; I233-N254 WeakPolarHBondContact CB-OD1 3.26Å; I233-N254 WeakPolarHBondContact CG1-OD1 3.48Å; I233-N254 PolarHBondContact N-OD1 3.19Å; I233-S255 CarbonylContact O-C 3.57Å; I233-S255 VanDerWaalsContact O-CA 3.3Å; I233-S255 WeakPolarHBondContact O-CA 3.45Å; I233-S255 PolarHBondContact O-N 3.48Å; I233-I256 HydrophobicContact CG2-CG1 4.32Å; I233-I256 WeakPolarHBondContact O-CG1 3.44Å; I233-I256 PolarHBondContact O-N 3.4Å; I233-I256 VanDerWaalsContact O-N 3.1Å | ||
| 234 | S | 96.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 39.1 Ų | 39.1 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | trans | -102.5 | -25.6 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | R211 L232 I256 T257 | R211-S234 PolarHBondContact O-N 2.9Å; L232-S234 PolarHBondContact O-N 2.72Å; S234-I256 WeakPolarHBondContact O-CA 3.42Å; S234-T257 PolarHBondContact O-N 3.36Å | ||
| 235 | T | 95.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 36.2 Ų | 36.2 | 46% | 0.46 | 21% | 0.21 | S | C | . | . | trans | -152.8 | 153 | -179.2 | 52.7 | 0 | 0 | 0 | 0 | 109.8 | I233 | I233-T235 WeakPolarHBondContact CG2-O 3.46Š| ||
| 236 | L | 97 | Very high | 97.3 | Very high | 15 Ų | 15 | 33.2 Ų | 33.2 | 8% | 0.079 | 20% | 0.196 | C | C | . | . | trans | -105.9 | 146.5 | 173.3 | -61.3 | 170.2 | 0 | 0 | 0 | 110.2 | L213 I233 L251 I256 L259 P260 | L213-L236 HydrophobicContact CD1-CD2 3.8Å; I233-L236 HydrophobicContact CG2-CD2 4.13Å; L236-L251 HydrophobicContact CD1-CD1 3.67Å; L236-L251 HydrophobicContact CD2-CD1 4.47Å; L236-L251 HydrophobicContact CD2-CD2 3.89Å; L236-I256 HydrophobicContact CG-CD1 4.43Å; L236-L259 HydrophobicContact CD1-CD2 4.45Å; L236-P260 HydrophobicContact CB-CG 3.9Å | ||
| 237 | P | 96.1 | Very high | 97.3 | Very high | 27 Ų | 27 | 34 Ų | 34 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | trans | -72.1 | 145.5 | 175.5 | 31.2 | -34.9 | 0 | 0 | 0 | 111.3 | L213 S239 I240 | L213-P237 HydrophobicContact CB-CG 4.25Å; P237-S239 PolarHBondContact O-N 3.21Å; P237-S239 VanDerWaalsContact O-N 3.1Å; P237-I240 WeakPolarHBondContact O-CB 3.33Å; P237-I240 WeakPolarHBondContact O-CG2 3.27Å; P237-I240 PolarHBondContact O-N 3.4Å | ||
| 238 | E | 95.3 | Very high | 97.3 | Very high | 102 Ų | 102 | 34.3 Ų | 34.3 | 48% | 0.477 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -60.3 | -23.1 | 176.8 | -158.6 | 69.2 | -159.1 | 0 | 0 | 112.7 | I240 S241 P260 N261 G262 | E238-I240 PolarHBondContact O-N 3.11Å; E238-S241 PolarHBondContact O-N 3.46Å; E238-S241 PolarHBondContact O-OG 2.75Å; E238-P260 WeakPolarHBondContact OE2-CB 3.39Å; E238-N261 WeakPolarHBondContact OE1-CB 3.18Å; E238-N261 PolarHBondContact OE1-N 3.29Å; E238-G262 PolarHBondContact OE1-N 2.91Å |
| 239 | S | 96.1 | Very high | 97.3 | Very high | 36 Ų | 36 | 34.4 Ų | 34.4 | 25% | 0.252 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -68.6 | -3.8 | 174.3 | 58.4 | 0 | 0 | 0 | 0 | 114.4 | K215 G218 P237 S241 G242 | K215-S239 WeakPolarHBondContact CA-OG 3.5Å; K215-S239 WeakPolarHBondContact O-CB 3.46Å; K215-S239 PolarHBondContact O-OG 3.16Å; G218-S239 WeakPolarHBondContact CA-O 3.25Å; P237-S239 PolarHBondContact O-N 3.21Å; P237-S239 VanDerWaalsContact O-N 3.1Å; S239-S241 PolarHBondContact O-N 3.17Å; S239-S241 VanDerWaalsContact O-N 3.15Å; S239-G242 PolarHBondContact O-N 3.4Å |
| 240 | I | 96.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -54.8 | -28.7 | 168.4 | -158.4 | 75.7 | 0 | 0 | 0 | 111.8 | L226 P237 E238 G242 L243 P260 | L226-I240 HydrophobicContact CD2-CD1 4.48Å; P237-I240 WeakPolarHBondContact O-CB 3.33Å; P237-I240 WeakPolarHBondContact O-CG2 3.27Å; P237-I240 PolarHBondContact O-N 3.4Å; E238-I240 PolarHBondContact O-N 3.11Å; I240-G242 PolarHBondContact O-N 2.95Å; I240-G242 VanDerWaalsContact O-N 3.12Å; I240-L243 HydrophobicContact CD1-CD1 3.53Å; I240-L243 HydrophobicContact CD1-CG 4.48Å; I240-L243 HydrophobicContact CG1-CD1 4.13Å; I240-L243 WeakPolarHBondContact O-CB 3.38Å; I240-L243 WeakPolarHBondContact O-CG 2.85Å; I240-L243 PolarHBondContact O-N 2.96Å; I240-L243 VanDerWaalsContact O-N 3.11Å; I240-P260 HydrophobicContact CG2-CG 3.79Å |
| 241 | S | 96.5 | Very high | 97.3 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 25% | 0.252 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -54.3 | -22.4 | 170.4 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | E238 S239 L243 G262 | E238-S241 PolarHBondContact O-N 3.46Å; E238-S241 PolarHBondContact O-OG 2.75Å; S239-S241 PolarHBondContact O-N 3.17Å; S239-S241 VanDerWaalsContact O-N 3.15Å; S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 3.27Å; S241-G262 WeakPolarHBondContact CA-O 3.34Å; S241-G262 WeakPolarHBondContact CB-O 3.16Å |
| 242 | G | 96.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 31.4 Ų | 31.4 | 26% | 0.258 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -76.8 | -11.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | G218 S239 I240 V244 | G218-G242 CarbonylContact O-C 3.25Å; G218-G242 VanDerWaalsContact O-CA 3.29Å; G218-G242 WeakPolarHBondContact O-CA 3.42Å; S239-G242 PolarHBondContact O-N 3.4Å; I240-G242 PolarHBondContact O-N 2.95Å; I240-G242 VanDerWaalsContact O-N 3.12Å; G242-V244 PolarHBondContact O-N 3.4Å |
| 243 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -77 | 54.8 | 175.4 | -56.4 | -178.2 | 0 | 0 | 0 | 111.4 | L217 L220 L223 L226 I240 S241 S245 L246 L266 | L217-L243 VanDerWaalsContact O-CD2 3.31Å; L217-L243 WeakPolarHBondContact O-CD2 3.21Å; L220-L243 HydrophobicContact CB-CD2 3.85Å; L220-L243 WeakPolarHBondContact O-CD2 3.28Å; L223-L243 HydrophobicContact CB-CD2 4.26Å; L223-L243 HydrophobicContact CD2-CD1 4.26Å; L223-L243 HydrophobicContact CD2-CD2 4.1Å; L226-L243 HydrophobicContact CD2-CD1 3.84Å; I240-L243 HydrophobicContact CD1-CD1 3.53Å; I240-L243 HydrophobicContact CD1-CG 4.48Å; I240-L243 HydrophobicContact CG1-CD1 4.13Å; I240-L243 WeakPolarHBondContact O-CB 3.38Å; I240-L243 WeakPolarHBondContact O-CG 2.85Å; I240-L243 PolarHBondContact O-N 2.96Å; I240-L243 VanDerWaalsContact O-N 3.11Å; S241-L243 VanDerWaalsContact C-N 3.3Å; S241-L243 PolarHBondContact O-N 3.27Å; L243-S245 PolarHBondContact O-N 3.47Å; L243-L246 HydrophobicContact CB-CB 4.04Å; L243-L246 HydrophobicContact CB-CD2 4.37Å; L243-L246 HydrophobicContact CD1-CD1 4.42Å; L243-L246 HydrophobicContact CD1-CD2 4.03Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.41Å; L243-L246 PolarHBondContact O-N 2.79Å; L243-L266 HydrophobicContact CB-CD2 4.41Å; L243-L266 WeakPolarHBondContact O-CD2 3.38Å | ||
| 244 | V | 96.6 | Very high | 97.3 | Very high | 90 Ų | 90 | 32.1 Ų | 32.1 | 55% | 0.545 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -6.4 | -169.1 | -62.1 | 0 | 0 | 0 | 0 | 115.7 | G221 G242 K268 | G221-V244 WeakPolarHBondContact O-CG2 3.14Å; G242-V244 PolarHBondContact O-N 3.4Å; V244-K268 WeakPolarHBondContact O-CE 3.45Å |
| 245 | S | 97.5 | Very high | 97.4 | Very high | 18 Ų | 18 | 30.8 Ų | 30.8 | 13% | 0.126 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -1.5 | 174.7 | -64.1 | 0 | 0 | 0 | 0 | 114.9 | G221 L223 L243 S247 K268 | G221-S245 WeakPolarHBondContact O-CB 3.49Å; G221-S245 PolarHBondContact O-N 2.83Å; G221-S245 PolarHBondContact O-OG 3.17Å; L223-S245 CarbonylContact O-C 3.25Å; L243-S245 PolarHBondContact O-N 3.47Å; S245-S247 PolarHBondContact O-N 3.22Å; S245-K268 PolarHBondContact OG-NZ 3.32Å |
| 246 | L | 98.4 | Very high | 97.5 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | trans | -66.4 | 122.4 | -171.2 | -159 | 75.2 | 0 | 0 | 0 | 111.5 | L223 Q224 L226 L243 L249 L266 K268 L269 | L223-L246 HydrophobicContact CB-CD1 4.49Å; L223-L246 HydrophobicContact CD2-CD1 4.23Å; L223-L246 HydrophobicContact CG-CD1 4.19Å; L223-L246 VanDerWaalsContact O-CA 3.25Å; L223-L246 WeakPolarHBondContact O-CA 3.22Å; L223-L246 PolarHBondContact O-N 3.02Å; Q224-L246 WeakPolarHBondContact O-CD1 3.42Å; L226-L246 HydrophobicContact CB-CD1 3.82Å; L243-L246 HydrophobicContact CB-CB 4.04Å; L243-L246 HydrophobicContact CB-CD2 4.37Å; L243-L246 HydrophobicContact CD1-CD1 4.42Å; L243-L246 HydrophobicContact CD1-CD2 4.03Å; L243-L246 VanDerWaalsContact O-CB 3.26Å; L243-L246 WeakPolarHBondContact O-CB 3.41Å; L243-L246 PolarHBondContact O-N 2.79Å; L246-L249 HydrophobicContact CD2-CB 3.92Å; L246-L249 HydrophobicContact CD2-CD1 4.28Å; L246-L249 HydrophobicContact CD2-CD2 4.05Å; L246-L249 HydrophobicContact CD2-CG 4.31Å; L246-L266 HydrophobicContact CD2-CD1 3.99Å; L246-K268 CarbonylContact O-C 3.27Å; L246-K268 VanDerWaalsContact O-C 3.3Å; L246-L269 HydrophobicContact CD2-CD1 4.24Å; L246-L269 HydrophobicContact CG-CD1 4.34Å; L246-L269 VanDerWaalsContact O-CA 3.29Å; L246-L269 WeakPolarHBondContact O-CA 3.17Å; L246-L269 PolarHBondContact O-N 3.25Å | ||
| 247 | S | 97.8 | Very high | 97.4 | Very high | 20 Ų | 20 | 28.6 Ų | 28.6 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | trans | -104 | -32.9 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 112 | Q224 S245 I270 I271 | Q224-S247 PolarHBondContact O-N 2.89Å; Q224-S247 PolarHBondContact O-OG 3.02Å; S245-S247 PolarHBondContact O-N 3.22Å; S247-I270 WeakPolarHBondContact O-CA 3.27Å; S247-I270 PolarHBondContact O-N 3.34Å; S247-I271 PolarHBondContact O-N 2.99Å | ||
| 248 | D | 98.1 | Very high | 97.4 | Very high | 45 Ų | 45 | 32 Ų | 32 | 24% | 0.241 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 117.5 | -171.2 | -65 | -100.3 | 0 | 0 | 0 | 110.5 | Q224 Q225 L226 I271 | Q224-D248 PolarHBondContact O-N 3.08Å; Q225-D248 WeakPolarHBondContact CA-O 3.34Å; Q225-D248 HydrophobicContact CB-CB 4.36Å; Q225-D248 HydrophobicContact CG-CB 4.12Å; L226-D248 PolarHBondContact N-O 2.58Å; D248-I271 WeakPolarHBondContact OD1-CD1 3.38Å |
| 249 | L | 98.6 | Very high | 97.4 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 114.3 | 178.8 | -179.4 | 54.2 | 0 | 0 | 0 | 110.5 | L226 L246 L251 L263 L269 I271 L272 K273 | L226-L249 HydrophobicContact CB-CD1 4.06Å; L226-L249 HydrophobicContact CD2-CD1 3.98Å; L226-L249 HydrophobicContact CG-CD1 4Å; L246-L249 HydrophobicContact CD2-CB 3.92Å; L246-L249 HydrophobicContact CD2-CD1 4.28Å; L246-L249 HydrophobicContact CD2-CD2 4.05Å; L246-L249 HydrophobicContact CD2-CG 4.31Å; L249-L251 HydrophobicContact CD1-CD1 4.04Å; L249-L251 HydrophobicContact CD1-CD2 4.43Å; L249-L251 HydrophobicContact CD1-CG 3.92Å; L249-L251 HydrophobicContact CD2-CD1 3.79Å; L249-L251 HydrophobicContact CG-CD1 3.76Å; L249-L251 HydrophobicContact CG-CG 4.03Å; L249-L263 HydrophobicContact CD2-CD1 3.84Å; L249-L269 HydrophobicContact CB-CD1 3.9Å; L249-I271 PolarHBondContact N-O 3.15Å; L249-L272 HydrophobicContact CB-CD1 4.05Å; L249-L272 HydrophobicContact CD2-CD1 3.93Å; L249-L272 HydrophobicContact CG-CD1 3.98Å; L249-K273 PolarHBondContact O-N 3.02Å |
| 250 | N | 98.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 26.7 Ų | 26.7 | 12% | 0.118 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 120.1 | 173.8 | -174.1 | 17.7 | 0 | 0 | 0 | 110.9 | L226 D227 L228 S229 S252 K273 | L226-N250 PolarHBondContact O-N 3.19Å; D227-N250 HydrophobicContact CB-CB 4.45Å; D227-N250 VanDerWaalsContact CG-ND2 3.31Å; D227-N250 PolarHBondContact OD1-ND2 2.87Å; D227-N250 VanDerWaalsContact OD1-ND2 3.09Å; D227-N250 WeakPolarHBondContact OD2-CB 3.36Å; D227-N250 PolarHBondContact OD2-ND2 2.67Å; L228-N250 CarbonylContact C-O 3.36Å; L228-N250 WeakPolarHBondContact CA-O 3.43Å; L228-N250 WeakPolarHBondContact CB-O 3.22Å; L228-N250 PolarHBondContact N-O 2.91Å; S229-N250 WeakPolarHBondContact CB-ND2 3.31Å; S229-N250 PolarHBondContact N-O 2.83Å; S229-N250 PolarHBondContact OG-ND2 2.97Å; N250-S252 WeakPolarHBondContact OD1-CB 3.37Å; N250-S252 PolarHBondContact OD1-N 3.16Å; N250-S252 PolarHBondContact OD1-OG 3.41Å; N250-K273 HydrophobicContact CB-CB 4.41Å; N250-K273 HydrophobicContact CB-CD 4.31Å; N250-K273 WeakPolarHBondContact OD1-CB 3.26Å |
| 251 | L | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 18% | 0.18 | C | C | . | . | trans | -129.9 | 18 | -178.7 | -72.2 | 163.7 | 0 | 0 | 0 | 110.9 | L228 L236 L249 N254 I256 K273 L274 N277 | L228-L251 HydrophobicContact CB-CD2 3.73Å; L228-L251 HydrophobicContact CD1-CD2 3.79Å; L228-L251 HydrophobicContact CG-CD2 4.44Å; L236-L251 HydrophobicContact CD1-CD1 3.67Å; L236-L251 HydrophobicContact CD2-CD1 4.47Å; L236-L251 HydrophobicContact CD2-CD2 3.89Å; L249-L251 HydrophobicContact CD1-CD1 4.04Å; L249-L251 HydrophobicContact CD1-CD2 4.43Å; L249-L251 HydrophobicContact CD1-CG 3.92Å; L249-L251 HydrophobicContact CD2-CD1 3.79Å; L249-L251 HydrophobicContact CG-CD1 3.76Å; L249-L251 HydrophobicContact CG-CG 4.03Å; L251-N254 PolarHBondContact O-ND2 2.85Å; L251-I256 HydrophobicContact CB-CD1 3.95Å; L251-I256 HydrophobicContact CD1-CD1 4.24Å; L251-I256 HydrophobicContact CD2-CD1 4.02Å; L251-I256 HydrophobicContact CG-CD1 4.32Å; L251-K273 CarbonylContact C-O 3.58Å; L251-K273 WeakPolarHBondContact CA-O 3.47Å; L251-K273 PolarHBondContact N-O 3.06Å; L251-L274 HydrophobicContact CB-CD2 3.76Å; L251-L274 HydrophobicContact CD1-CD2 3.88Å; L251-N277 PolarHBondContact O-ND2 2.8Å | ||
| 252 | S | 98.4 | Very high | 97.2 | Very high | 13 Ų | 13 | 29.3 Ų | 29.3 | 9% | 0.091 | 17% | 0.168 | C | C | . | . | trans | -62.8 | 157.4 | -177.9 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | S229 E230 N250 N254 K273 N275 | S229-S252 CarbonylContact C-O 3.46Å; S229-S252 WeakPolarHBondContact CA-O 3.29Å; S229-S252 WeakPolarHBondContact CB-O 3.45Å; E230-S252 PolarHBondContact N-O 2.89Å; N250-S252 WeakPolarHBondContact OD1-CB 3.37Å; N250-S252 PolarHBondContact OD1-N 3.16Å; N250-S252 PolarHBondContact OD1-OG 3.41Å; S252-N254 PolarHBondContact O-N 3.13Å; S252-N254 PolarHBondContact O-ND2 3.09Å; S252-N254 VanDerWaalsContact O-ND2 3.07Å; S252-K273 PolarHBondContact N-O 3.14Å; S252-K273 WeakPolarHBondContact OG-CB 3.41Å; S252-N275 CarbonylContact C-O 3.28Å; S252-N275 WeakPolarHBondContact CA-O 3.35Å | ||
| 253 | Q | 98 | Very high | 97.2 | Very high | 84 Ų | 84 | 28.1 Ų | 28.1 | 39% | 0.393 | 16% | 0.156 | S | C | . | . | S | Bend | trans | 53.1 | 58.3 | 178.1 | -66.2 | -171.4 | 87.6 | 0 | 0 | 112.4 | E230 N231 N275 Q276 | E230-Q253 VanDerWaalsContact CA-O 3.32Å; E230-Q253 WeakPolarHBondContact CA-O 2.81Å; E230-Q253 HydrophobicContact CB-CB 4.47Å; E230-Q253 HydrophobicContact CG-CB 3.7Å; E230-Q253 HydrophobicContact CG-CG 4.2Å; E230-Q253 PolarHBondContact N-O 2.85Å; E230-Q253 PolarHBondContact OE1-NE2 2.95Å; N231-Q253 PolarHBondContact N-O 2.95Å; N231-Q253 VanDerWaalsContact N-O 3.13Å; Q253-N275 PolarHBondContact N-O 2.87Å; Q253-Q276 WeakPolarHBondContact CA-O 3.3Å; Q253-Q276 HydrophobicContact CG-CB 4Å; Q253-Q276 PolarHBondContact N-O 2.71Å |
| 254 | N | 98.3 | Very high | 97 | Very high | 9 Ų | 9 | 28.1 Ų | 28.1 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -134.1 | -173.5 | 177.4 | -90.5 | -88.7 | 0 | 0 | 0 | 110.2 | L228 N231 I233 L251 S252 I256 Q276 N277 | L228-N254 PolarHBondContact O-ND2 3.26Å; N231-N254 WeakPolarHBondContact CB-OD1 3.22Å; N231-N254 WeakPolarHBondContact O-CA 3.41Å; N231-N254 PolarHBondContact O-OD1 3.22Å; I233-N254 WeakPolarHBondContact CB-OD1 3.26Å; I233-N254 WeakPolarHBondContact CG1-OD1 3.48Å; I233-N254 PolarHBondContact N-OD1 3.19Å; L251-N254 PolarHBondContact O-ND2 2.85Å; S252-N254 PolarHBondContact O-N 3.13Å; S252-N254 PolarHBondContact O-ND2 3.09Å; S252-N254 VanDerWaalsContact O-ND2 3.07Å; N254-I256 HydrophobicContact CB-CD1 4.32Å; N254-I256 HydrophobicContact CB-CG1 4.09Å; N254-Q276 PolarHBondContact N-O 3.41Å; N254-N277 VanDerWaalsContact C-OD1 3.23Å; N254-N277 WeakPolarHBondContact CB-OD1 3.34Å; N254-N277 PolarHBondContact O-OD1 3.01Å |
| 255 | S | 97.5 | Very high | 96.9 | Very high | 25 Ų | 25 | 28.5 Ų | 28.5 | 18% | 0.175 | 16% | 0.155 | C | C | . | . | trans | -112.1 | 26.6 | 178 | -68.9 | 0 | 0 | 0 | 0 | 113.1 | I233 T257 R278 | I233-S255 CarbonylContact O-C 3.57Å; I233-S255 VanDerWaalsContact O-CA 3.3Å; I233-S255 WeakPolarHBondContact O-CA 3.45Å; I233-S255 PolarHBondContact O-N 3.48Å; S255-T257 PolarHBondContact O-N 2.91Å; S255-R278 PolarHBondContact OG-NE 2.96Å; S255-R278 PolarHBondContact OG-NH2 2.87Å | ||
| 256 | I | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -67.2 | 123.8 | -173 | -56.7 | 171.5 | 0 | 0 | 0 | 109.9 | I233 S234 L236 L251 N254 H258 L259 L274 N277 R278 L279 | I233-I256 HydrophobicContact CG2-CG1 4.32Å; I233-I256 WeakPolarHBondContact O-CG1 3.44Å; I233-I256 PolarHBondContact O-N 3.4Å; I233-I256 VanDerWaalsContact O-N 3.1Å; S234-I256 WeakPolarHBondContact O-CA 3.42Å; L236-I256 HydrophobicContact CG-CD1 4.43Å; L251-I256 HydrophobicContact CB-CD1 3.95Å; L251-I256 HydrophobicContact CD1-CD1 4.24Å; L251-I256 HydrophobicContact CD2-CD1 4.02Å; L251-I256 HydrophobicContact CG-CD1 4.32Å; N254-I256 HydrophobicContact CB-CD1 4.32Å; N254-I256 HydrophobicContact CB-CG1 4.09Å; I256-H258 VanDerWaalsContact CG2-O 3.3Å; I256-H258 WeakPolarHBondContact CG2-O 3.17Å; I256-L259 HydrophobicContact CG2-CD2 4.18Å; I256-L274 HydrophobicContact CD1-CD2 4.31Å; I256-N277 VanDerWaalsContact CB-OD1 3.23Å; I256-N277 WeakPolarHBondContact CB-OD1 3.47Å; I256-N277 WeakPolarHBondContact CG1-OD1 3.4Å; I256-N277 PolarHBondContact N-OD1 3.07Å; I256-R278 CarbonylContact O-C 3.56Å; I256-R278 VanDerWaalsContact O-CA 3.3Å; I256-R278 WeakPolarHBondContact O-CA 3.03Å; I256-R278 PolarHBondContact O-N 3.48Å; I256-L279 HydrophobicContact CG2-CD2 3.91Å; I256-L279 PolarHBondContact O-N 3.3Å | ||
| 257 | T | 95.7 | Very high | 96.7 | Very high | 43 Ų | 43 | 32.5 Ų | 32.5 | 26% | 0.264 | 17% | 0.174 | S | C | . | . | trans | -95.9 | -31 | -179.5 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | S234 S255 R278 | S234-T257 PolarHBondContact O-N 3.36Å; S255-T257 PolarHBondContact O-N 2.91Å; T257-R278 HydrophobicContact CG2-CB 4.16Å | ||
| 258 | H | 95 | Very high | 96.6 | Very high | 100 Ų | 100 | 36.6 Ų | 36.6 | 46% | 0.463 | 19% | 0.19 | S | C | . | . | trans | -148.3 | 149.9 | -176.3 | -57.6 | 84 | 0 | 0 | 0 | 110.1 | I256 | I256-H258 VanDerWaalsContact CG2-O 3.3Å; I256-H258 WeakPolarHBondContact CG2-O 3.17Å | ||
| 259 | L | 96.7 | Very high | 96.6 | Very high | 14 Ų | 14 | 34.4 Ų | 34.4 | 7% | 0.073 | 18% | 0.178 | C | C | . | . | trans | -99.1 | 140.1 | 174.3 | -58.2 | 174.1 | 0 | 0 | 0 | 110.5 | L236 I256 L263 L274 L279 V282 T283 | L236-L259 HydrophobicContact CD1-CD2 4.45Å; I256-L259 HydrophobicContact CG2-CD2 4.18Å; L259-L263 HydrophobicContact CB-CD2 4.13Å; L259-L263 HydrophobicContact CD1-CD2 3.9Å; L259-L263 HydrophobicContact CD2-CD2 4.2Å; L259-L263 HydrophobicContact CG-CD2 4.3Å; L259-L274 HydrophobicContact CD1-CD1 3.75Å; L259-L274 HydrophobicContact CD2-CD1 4.03Å; L259-L274 HydrophobicContact CD2-CD2 3.88Å; L259-L279 HydrophobicContact CD1-CD1 4.45Å; L259-L279 HydrophobicContact CD2-CD2 4.13Å; L259-L279 HydrophobicContact CG-CD2 3.97Å; L259-V282 HydrophobicContact CD1-CG1 4.13Å; L259-T283 HydrophobicContact CB-CG2 4.02Å | ||
| 260 | P | 96.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.078 | 19% | 0.192 | C | C | . | . | trans | -67.6 | 156 | 175.2 | 29.1 | -34.6 | 0 | 0 | 0 | 111.1 | L236 E238 I240 L263 | L236-P260 HydrophobicContact CB-CG 3.9Å; E238-P260 WeakPolarHBondContact OE2-CB 3.39Å; I240-P260 HydrophobicContact CG2-CG 3.79Å; P260-L263 HydrophobicContact CG-CB 4.38Å; P260-L263 WeakPolarHBondContact O-CB 3.13Å; P260-L263 PolarHBondContact O-N 2.97Å | ||
| 261 | N | 95.2 | Very high | 96.5 | Very high | 91 Ų | 91 | 37.3 Ų | 37.3 | 49% | 0.487 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -70.4 | -38.1 | -177.1 | -73.9 | -34.9 | 0 | 0 | 0 | 111.7 | E238 L263 G264 T283 T285 | E238-N261 WeakPolarHBondContact OE1-CB 3.18Å; E238-N261 PolarHBondContact OE1-N 3.29Å; N261-L263 PolarHBondContact O-N 3.48Å; N261-L263 VanDerWaalsContact O-N 3.09Å; N261-G264 PolarHBondContact O-N 3.02Å; N261-T283 PolarHBondContact OD1-OG1 3.37Å; N261-T285 WeakPolarHBondContact CA-OG1 3.2Å; N261-T285 HydrophobicContact CB-CG2 4.1Å; N261-T285 WeakPolarHBondContact O-CB 3.03Å; N261-T285 PolarHBondContact O-OG1 3.28Å |
| 262 | G | 93.5 | Very high | 96.5 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -62.7 | -8.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E238 S241 G264 D265 | E238-G262 PolarHBondContact OE1-N 2.91Å; S241-G262 WeakPolarHBondContact CA-O 3.34Å; S241-G262 WeakPolarHBondContact CB-O 3.16Å; G262-G264 PolarHBondContact O-N 2.87Å; G262-D265 PolarHBondContact O-N 3.04Å |
| 263 | L | 96.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | -61.1 | -31.5 | 165.8 | -172.6 | 70 | 0 | 0 | 0 | 111.3 | L249 L259 P260 N261 D265 L266 L272 C289 | L249-L263 HydrophobicContact CD2-CD1 3.84Å; L259-L263 HydrophobicContact CB-CD2 4.13Å; L259-L263 HydrophobicContact CD1-CD2 3.9Å; L259-L263 HydrophobicContact CD2-CD2 4.2Å; L259-L263 HydrophobicContact CG-CD2 4.3Å; P260-L263 HydrophobicContact CG-CB 4.38Å; P260-L263 WeakPolarHBondContact O-CB 3.13Å; P260-L263 PolarHBondContact O-N 2.97Å; N261-L263 PolarHBondContact O-N 3.48Å; N261-L263 VanDerWaalsContact O-N 3.09Å; L263-D265 PolarHBondContact O-N 3.24Å; L263-L266 HydrophobicContact CD1-CD1 3.99Å; L263-L266 PolarHBondContact O-N 3.23Å; L263-L272 HydrophobicContact CD2-CD2 4.12Å; L263-C289 PolarHBondContact O-SG 3.23Å; L263-C289 VanDerWaalsContact O-SG 3.35Å |
| 264 | G | 94.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -68.6 | -16.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | N261 G262 L266 T285 N288 | N261-G264 PolarHBondContact O-N 3.02Å; G262-G264 PolarHBondContact O-N 2.87Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 3.49Å; G264-T285 VanDerWaalsContact CA-O 3.24Å; G264-T285 WeakPolarHBondContact CA-O 3.36Å; G264-N288 WeakPolarHBondContact O-CB 3.19Å |
| 265 | D | 94.8 | Very high | 96.6 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 52% | 0.524 | 19% | 0.192 | S | C | . | . | G | 310 helix | trans | -85.4 | -1.5 | -179.1 | -57.9 | -30 | 0 | 0 | 0 | 112.3 | G262 L263 D267 | G262-D265 PolarHBondContact O-N 3.04Å; L263-D265 PolarHBondContact O-N 3.24Å; D265-D267 VanDerWaalsContact C-N 3.3Å; D265-D267 PolarHBondContact O-N 3.13Å |
| 266 | L | 96.9 | Very high | 96.6 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.01 | 20% | 0.201 | C | C | . | . | trans | -80.8 | 73.8 | 177.6 | -58.8 | -174 | 0 | 0 | 0 | 111.1 | L243 L246 L263 G264 K268 L269 | L243-L266 HydrophobicContact CB-CD2 4.41Å; L243-L266 WeakPolarHBondContact O-CD2 3.38Å; L246-L266 HydrophobicContact CD2-CD1 3.99Å; L263-L266 HydrophobicContact CD1-CD1 3.99Å; L263-L266 PolarHBondContact O-N 3.23Å; G264-L266 VanDerWaalsContact C-N 3.26Å; G264-L266 PolarHBondContact O-N 3.49Å; L266-K268 PolarHBondContact O-N 3.03Å; L266-K268 VanDerWaalsContact O-N 3.08Å; L266-L269 HydrophobicContact CB-CB 4.03Å; L266-L269 WeakPolarHBondContact O-CB 3.31Å; L266-L269 PolarHBondContact O-N 2.99Å | ||
| 267 | D | 93.2 | Very high | 96.6 | Very high | 100 Ų | 100 | 40.3 Ų | 40.3 | 54% | 0.535 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -25.8 | -177.3 | -81 | -29.8 | 0 | 0 | 0 | 114.4 | D265 S291 | D265-D267 VanDerWaalsContact C-N 3.3Å; D265-D267 PolarHBondContact O-N 3.13Å; D267-S291 WeakPolarHBondContact O-CB 3.27Å; D267-S291 PolarHBondContact O-OG 2.81Å |
| 268 | K | 96.8 | Very high | 96.7 | Very high | 106 Ų | 106 | 44.5 Ų | 44.5 | 46% | 0.461 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -8 | 179.1 | -61.6 | -162.8 | -155.4 | 164.8 | 0 | 114.7 | V244 S245 L246 L266 I270 | V244-K268 WeakPolarHBondContact O-CE 3.45Å; S245-K268 PolarHBondContact OG-NZ 3.32Å; L246-K268 CarbonylContact O-C 3.27Å; L246-K268 VanDerWaalsContact O-C 3.3Å; L266-K268 PolarHBondContact O-N 3.03Å; L266-K268 VanDerWaalsContact O-N 3.08Å; K268-I270 WeakPolarHBondContact O-CG1 3.25Å; K268-I270 PolarHBondContact O-N 2.94Å |
| 269 | L | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -63 | 122.7 | -173.2 | -167.3 | 68.3 | 0 | 0 | 0 | 110.5 | L246 L249 L266 L272 S291 L292 | L246-L269 HydrophobicContact CD2-CD1 4.24Å; L246-L269 HydrophobicContact CG-CD1 4.34Å; L246-L269 VanDerWaalsContact O-CA 3.29Å; L246-L269 WeakPolarHBondContact O-CA 3.17Å; L246-L269 PolarHBondContact O-N 3.25Å; L249-L269 HydrophobicContact CB-CD1 3.9Å; L266-L269 HydrophobicContact CB-CB 4.03Å; L266-L269 WeakPolarHBondContact O-CB 3.31Å; L266-L269 PolarHBondContact O-N 2.99Å; L269-L272 HydrophobicContact CD2-CB 4.18Å; L269-L272 HydrophobicContact CD2-CD1 4.5Å; L269-L272 HydrophobicContact CD2-CD2 4.32Å; L269-S291 CarbonylContact O-C 3.59Å; L269-L292 HydrophobicContact CB-CD1 4.31Å; L269-L292 HydrophobicContact CD2-CD1 4.03Å; L269-L292 HydrophobicContact CG-CD1 3.83Å; L269-L292 WeakPolarHBondContact O-CA 3.4Å; L269-L292 PolarHBondContact O-N 2.97Å | ||
| 270 | I | 98 | Very high | 96.8 | Very high | 57 Ų | 57 | 42.9 Ų | 42.9 | 29% | 0.292 | 21% | 0.208 | S | C | . | . | trans | -104.3 | -46.9 | -177.1 | -56.8 | -173.9 | 0 | 0 | 0 | 110.4 | S247 K268 Q293 E294 | S247-I270 WeakPolarHBondContact O-CA 3.27Å; S247-I270 PolarHBondContact O-N 3.34Å; K268-I270 WeakPolarHBondContact O-CG1 3.25Å; K268-I270 PolarHBondContact O-N 2.94Å; I270-Q293 HydrophobicContact CG2-CB 3.86Å; I270-Q293 HydrophobicContact CG2-CG 4.19Å; I270-Q293 PolarHBondContact O-N 3.38Å; I270-E294 PolarHBondContact O-N 3.2Å | ||
| 271 | I | 97.5 | Very high | 96.8 | Very high | 28 Ų | 28 | 45 Ų | 45 | 14% | 0.144 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 124.4 | -176.4 | -55.4 | -168.4 | 0 | 0 | 0 | 109.6 | S247 D248 L249 K273 E294 | S247-I271 PolarHBondContact O-N 2.99Å; D248-I271 WeakPolarHBondContact OD1-CD1 3.38Å; L249-I271 PolarHBondContact N-O 3.15Å; I271-K273 HydrophobicContact CG2-CD 4.42Å; I271-K273 HydrophobicContact CG2-CG 4.09Å; I271-E294 HydrophobicContact CG1-CB 4.23Å; I271-E294 HydrophobicContact CG1-CG 4.34Å; I271-E294 HydrophobicContact CG2-CB 4.34Å |
| 272 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 115.4 | 172.6 | 179.3 | 58.7 | 0 | 0 | 0 | 110.5 | L249 L263 L269 L274 I286 L292 E294 L295 Y296 | L249-L272 HydrophobicContact CB-CD1 4.05Å; L249-L272 HydrophobicContact CD2-CD1 3.93Å; L249-L272 HydrophobicContact CG-CD1 3.98Å; L263-L272 HydrophobicContact CD2-CD2 4.12Å; L269-L272 HydrophobicContact CD2-CB 4.18Å; L269-L272 HydrophobicContact CD2-CD1 4.5Å; L269-L272 HydrophobicContact CD2-CD2 4.32Å; L272-L274 HydrophobicContact CD1-CD1 4.09Å; L272-L274 HydrophobicContact CD1-CG 4.1Å; L272-L274 HydrophobicContact CD2-CD1 3.79Å; L272-L274 HydrophobicContact CG-CD1 3.82Å; L272-L274 HydrophobicContact CG-CG 4.16Å; L272-I286 HydrophobicContact CD2-CD1 3.75Å; L272-L292 HydrophobicContact CB-CD1 3.95Å; L272-E294 PolarHBondContact N-O 3.16Å; L272-L295 HydrophobicContact CB-CD1 4.03Å; L272-L295 HydrophobicContact CD2-CD1 3.92Å; L272-L295 HydrophobicContact CG-CD1 4.01Å; L272-Y296 PolarHBondContact O-N 3.24Å |
| 273 | K | 98.6 | Very high | 96.9 | Very high | 74 Ų | 74 | 41.4 Ų | 41.4 | 32% | 0.322 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 119.2 | 178.2 | -61.9 | 168.3 | -178 | 165.5 | 0 | 110.9 | L249 N250 L251 S252 I271 Y296 | L249-K273 PolarHBondContact O-N 3.02Å; N250-K273 HydrophobicContact CB-CB 4.41Å; N250-K273 HydrophobicContact CB-CD 4.31Å; N250-K273 WeakPolarHBondContact OD1-CB 3.26Å; L251-K273 CarbonylContact C-O 3.58Å; L251-K273 WeakPolarHBondContact CA-O 3.47Å; L251-K273 PolarHBondContact N-O 3.06Å; S252-K273 PolarHBondContact N-O 3.14Å; S252-K273 WeakPolarHBondContact OG-CB 3.41Å; I271-K273 HydrophobicContact CG2-CD 4.42Å; I271-K273 HydrophobicContact CG2-CG 4.09Å; K273-Y296 HydrophobicContact CG-CD2 3.75Å; K273-Y296 HydrophobicContact CG-CE2 4.37Å; K273-Y296 HydrophobicContact CG-CG 4.33Å |
| 274 | L | 98.5 | Very high | 96.9 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | trans | -132.2 | 26.2 | -175.9 | -76.5 | 164.2 | 0 | 0 | 0 | 111.7 | L251 I256 L259 L272 N277 L279 Y296 L297 N300 | L251-L274 HydrophobicContact CB-CD2 3.76Å; L251-L274 HydrophobicContact CD1-CD2 3.88Å; I256-L274 HydrophobicContact CD1-CD2 4.31Å; L259-L274 HydrophobicContact CD1-CD1 3.75Å; L259-L274 HydrophobicContact CD2-CD1 4.03Å; L259-L274 HydrophobicContact CD2-CD2 3.88Å; L272-L274 HydrophobicContact CD1-CD1 4.09Å; L272-L274 HydrophobicContact CD1-CG 4.1Å; L272-L274 HydrophobicContact CD2-CD1 3.79Å; L272-L274 HydrophobicContact CG-CD1 3.82Å; L272-L274 HydrophobicContact CG-CG 4.16Å; L274-N277 PolarHBondContact O-ND2 2.92Å; L274-L279 HydrophobicContact CB-CD1 4.19Å; L274-L279 HydrophobicContact CD1-CD1 4.1Å; L274-L279 HydrophobicContact CD2-CD1 4.41Å; L274-L279 HydrophobicContact CG-CD1 4.49Å; L274-Y296 WeakPolarHBondContact CA-O 3.27Å; L274-Y296 WeakPolarHBondContact CB-O 3.46Å; L274-Y296 PolarHBondContact N-O 2.88Å; L274-L297 HydrophobicContact CB-CD2 3.91Å; L274-L297 HydrophobicContact CD1-CD2 3.97Å; L274-N300 PolarHBondContact O-ND2 3.03Å | ||
| 275 | N | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 47 Ų | 47 | 19% | 0.187 | 24% | 0.237 | C | C | . | . | trans | -64.1 | 153.2 | -177.5 | -59.3 | -39.8 | 0 | 0 | 0 | 111.5 | S252 Q253 N277 Y296 L297 T298 | S252-N275 CarbonylContact C-O 3.28Å; S252-N275 WeakPolarHBondContact CA-O 3.35Å; Q253-N275 PolarHBondContact N-O 2.87Å; N275-N277 PolarHBondContact O-N 2.79Å; N275-N277 PolarHBondContact O-ND2 3.03Å; N275-Y296 VanDerWaalsContact OD1-C 3.31Å; N275-Y296 WeakPolarHBondContact OD1-CB 3.27Å; N275-L297 PolarHBondContact OD1-N 3.05Å; N275-T298 CarbonylContact C-O 3.33Å; N275-T298 WeakPolarHBondContact CA-O 3.43Å; N275-T298 VanDerWaalsContact OD1-CB 3.3Å; N275-T298 WeakPolarHBondContact OD1-CB 3.47Å; N275-T298 PolarHBondContact OD1-N 3.32Å; N275-T298 PolarHBondContact OD1-OG1 2.82Å | ||
| 276 | Q | 97.9 | Very high | 97 | Very high | 76 Ų | 76 | 42.3 Ų | 42.3 | 36% | 0.355 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 50.3 | 60.7 | 174.9 | -70.3 | 177.7 | -15 | 0 | 0 | 111.8 | Q253 N254 T298 E299 | Q253-Q276 WeakPolarHBondContact CA-O 3.3Å; Q253-Q276 HydrophobicContact CG-CB 4Å; Q253-Q276 PolarHBondContact N-O 2.71Å; N254-Q276 PolarHBondContact N-O 3.41Å; Q276-T298 PolarHBondContact N-O 3.48Å; Q276-E299 VanDerWaalsContact CA-O 3.27Å; Q276-E299 WeakPolarHBondContact CA-O 3.43Å; Q276-E299 HydrophobicContact CG-CB 3.68Å; Q276-E299 HydrophobicContact CG-CG 4.34Å; Q276-E299 VanDerWaalsContact CG-OE2 3.29Å; Q276-E299 WeakPolarHBondContact CG-OE2 3.31Å; Q276-E299 PolarHBondContact N-O 2.8Å; Q276-E299 PolarHBondContact NE2-OE1 2.99Å; Q276-E299 PolarHBondContact NE2-OE2 3.18Å |
| 277 | N | 98.2 | Very high | 97 | Very high | 7 Ų | 7 | 42.4 Ų | 42.4 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -131 | -171.5 | 178.2 | -92.4 | -84 | 0 | 0 | 0 | 109.8 | L251 N254 I256 L274 N275 L279 E299 N300 | L251-N277 PolarHBondContact O-ND2 2.8Å; N254-N277 VanDerWaalsContact C-OD1 3.23Å; N254-N277 WeakPolarHBondContact CB-OD1 3.34Å; N254-N277 PolarHBondContact O-OD1 3.01Å; I256-N277 VanDerWaalsContact CB-OD1 3.23Å; I256-N277 WeakPolarHBondContact CB-OD1 3.47Å; I256-N277 WeakPolarHBondContact CG1-OD1 3.4Å; I256-N277 PolarHBondContact N-OD1 3.07Å; L274-N277 PolarHBondContact O-ND2 2.92Å; N275-N277 PolarHBondContact O-N 2.79Å; N275-N277 PolarHBondContact O-ND2 3.03Å; N277-L279 HydrophobicContact CB-CG 4.47Å; N277-E299 PolarHBondContact N-O 2.97Å; N277-N300 WeakPolarHBondContact CA-OD1 3.43Å; N277-N300 WeakPolarHBondContact CB-OD1 3.15Å; N277-N300 PolarHBondContact O-OD1 3.06Å |
| 278 | R | 97.6 | Very high | 97.1 | Very high | 131 Ų | 131 | 41.4 Ų | 41.4 | 49% | 0.494 | 21% | 0.209 | S | C | . | . | trans | -116.7 | 27.4 | -175.4 | -53.3 | -174.7 | -171 | -169.9 | 3.9 | 112.4 | S255 I256 T257 L280 N300 F301 | S255-R278 PolarHBondContact OG-NE 2.96Å; S255-R278 PolarHBondContact OG-NH2 2.87Å; I256-R278 CarbonylContact O-C 3.56Å; I256-R278 VanDerWaalsContact O-CA 3.3Å; I256-R278 WeakPolarHBondContact O-CA 3.03Å; I256-R278 PolarHBondContact O-N 3.48Å; T257-R278 HydrophobicContact CG2-CB 4.16Å; R278-L280 PolarHBondContact O-N 2.77Å; R278-N300 PolarHBondContact N-OD1 2.97Å; R278-F301 HydrophobicContact CB-CD2 4.21Å; R278-F301 HydrophobicContact CB-CE2 4.1Å; R278-F301 HydrophobicContact CG-CE2 4.18Å | ||
| 279 | L | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.187 | C | C | . | . | trans | -67.3 | 121 | -175.3 | -63.3 | 173.8 | 0 | 0 | 0 | 111 | I256 L259 L274 N277 L297 N300 F301 L302 | I256-L279 HydrophobicContact CG2-CD2 3.91Å; I256-L279 PolarHBondContact O-N 3.3Å; L259-L279 HydrophobicContact CD1-CD1 4.45Å; L259-L279 HydrophobicContact CD2-CD2 4.13Å; L259-L279 HydrophobicContact CG-CD2 3.97Å; L274-L279 HydrophobicContact CB-CD1 4.19Å; L274-L279 HydrophobicContact CD1-CD1 4.1Å; L274-L279 HydrophobicContact CD2-CD1 4.41Å; L274-L279 HydrophobicContact CG-CD1 4.49Å; N277-L279 HydrophobicContact CB-CG 4.47Å; L279-L297 HydrophobicContact CD1-CD2 3.97Å; L279-N300 HydrophobicContact CB-CB 4.36Å; L279-N300 VanDerWaalsContact CB-OD1 3.27Å; L279-N300 WeakPolarHBondContact CB-OD1 3.17Å; L279-N300 WeakPolarHBondContact CG-OD1 3.48Å; L279-N300 PolarHBondContact N-OD1 3.1Å; L279-F301 CarbonylContact O-C 3.21Å; L279-F301 WeakPolarHBondContact O-CA 3.28Å; L279-F301 PolarHBondContact O-N 3.03Å; L279-L302 HydrophobicContact CB-CD2 3.94Å; L279-L302 PolarHBondContact O-N 3.33Å | ||
| 280 | L | 95.8 | Very high | 96.8 | Very high | 81 Ų | 81 | 39.4 Ų | 39.4 | 42% | 0.424 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -83.9 | -29.7 | 171.6 | -62.8 | 171.6 | 0 | 0 | 0 | 112 | R278 F301 | R278-L280 PolarHBondContact O-N 2.77Å; L280-F301 HydrophobicContact CD2-CB 3.91Å |
| 281 | T | 96.1 | Very high | 96.7 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 34% | 0.344 | 21% | 0.208 | S | C | . | . | trans | -151.3 | 146.2 | 178.7 | 57.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 282 | V | 96.4 | Very high | 96.7 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.036 | 20% | 0.201 | C | C | . | . | trans | -82.8 | 138 | 163.4 | -171.9 | 0 | 0 | 0 | 0 | 109 | L259 I286 L297 L302 P306 | L259-V282 HydrophobicContact CD1-CG1 4.13Å; V282-I286 HydrophobicContact CG1-CB 3.87Å; V282-I286 HydrophobicContact CG1-CG1 4.04Å; V282-I286 HydrophobicContact CG1-CG2 3.74Å; V282-L297 HydrophobicContact CG2-CD1 3.89Å; V282-L297 HydrophobicContact CG2-CD2 4.09Å; V282-L302 HydrophobicContact CG2-CD1 3.96Å; V282-L302 HydrophobicContact CG2-CD2 3.88Å; V282-P306 HydrophobicContact CB-CG 4.27Å | ||
| 283 | T | 95.2 | Very high | 96.7 | Very high | 10 Ų | 10 | 40.8 Ų | 40.8 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | trans | -62.6 | 139 | 178.6 | -179 | 0 | 0 | 0 | 0 | 111.3 | L259 N261 T285 I286 | L259-T283 HydrophobicContact CB-CG2 4.02Å; N261-T283 PolarHBondContact OD1-OG1 3.37Å; T283-T285 VanDerWaalsContact CG2-OG1 3.32Å; T283-T285 WeakPolarHBondContact CG2-OG1 3.32Å; T283-T285 PolarHBondContact O-N 2.64Å; T283-T285 VanDerWaalsContact O-N 3.14Å; T283-T285 PolarHBondContact OG1-OG1 3.01Å; T283-I286 WeakPolarHBondContact O-CB 3.29Å; T283-I286 WeakPolarHBondContact O-CG2 3.3Å; T283-I286 PolarHBondContact O-N 2.85Å; T283-I286 VanDerWaalsContact O-N 3.08Å | ||
| 284 | P | 95.7 | Very high | 96.7 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 55% | 0.552 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -58.6 | -23.7 | 176.5 | -25.7 | 35.4 | 0 | 0 | 0 | 114.4 | I286 G287 S308 | P284-I286 PolarHBondContact O-N 3.04Å; P284-G287 PolarHBondContact O-N 3.07Å; P284-S308 WeakPolarHBondContact CA-OG 3.3Å; P284-S308 VanDerWaalsContact O-CB 3.26Å; P284-S308 WeakPolarHBondContact O-CB 3.35Å; P284-S308 PolarHBondContact O-OG 3.06Å |
| 285 | T | 96.1 | Very high | 96.7 | Very high | 32 Ų | 32 | 39.1 Ų | 39.1 | 20% | 0.196 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -68.9 | -11.3 | 177.2 | 59 | 0 | 0 | 0 | 0 | 113.3 | N261 G264 T283 G287 N288 | N261-T285 WeakPolarHBondContact CA-OG1 3.2Å; N261-T285 HydrophobicContact CB-CG2 4.1Å; N261-T285 WeakPolarHBondContact O-CB 3.03Å; N261-T285 PolarHBondContact O-OG1 3.28Å; G264-T285 VanDerWaalsContact CA-O 3.24Å; G264-T285 WeakPolarHBondContact CA-O 3.36Å; T283-T285 VanDerWaalsContact CG2-OG1 3.32Å; T283-T285 WeakPolarHBondContact CG2-OG1 3.32Å; T283-T285 PolarHBondContact O-N 2.64Å; T283-T285 VanDerWaalsContact O-N 3.14Å; T283-T285 PolarHBondContact OG1-OG1 3.01Å; T285-G287 PolarHBondContact O-N 3.15Å; T285-G287 VanDerWaalsContact O-N 3.11Å; T285-N288 VanDerWaalsContact O-CB 3.25Å; T285-N288 WeakPolarHBondContact O-CB 3.31Å; T285-N288 PolarHBondContact O-N 2.63Å |
| 286 | I | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -55.2 | -31.7 | 175 | -164.4 | 59 | 0 | 0 | 0 | 112.5 | L272 V282 T283 P284 N288 C289 L292 P306 L312 | L272-I286 HydrophobicContact CD2-CD1 3.75Å; V282-I286 HydrophobicContact CG1-CB 3.87Å; V282-I286 HydrophobicContact CG1-CG1 4.04Å; V282-I286 HydrophobicContact CG1-CG2 3.74Å; T283-I286 WeakPolarHBondContact O-CB 3.29Å; T283-I286 WeakPolarHBondContact O-CG2 3.3Å; T283-I286 PolarHBondContact O-N 2.85Å; T283-I286 VanDerWaalsContact O-N 3.08Å; P284-I286 PolarHBondContact O-N 3.04Å; I286-N288 PolarHBondContact O-N 2.93Å; I286-N288 VanDerWaalsContact O-N 3.13Å; I286-C289 WeakPolarHBondContact O-CB 3.25Å; I286-C289 PolarHBondContact O-N 2.87Å; I286-L292 HydrophobicContact CD1-CD2 4.38Å; I286-P306 HydrophobicContact CG2-CG 4.04Å; I286-L312 WeakPolarHBondContact O-CD2 3.42Å |
| 287 | G | 95.7 | Very high | 96.7 | Very high | 5 Ų | 5 | 36 Ų | 36 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -70.8 | 0.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P284 T285 S308 N311 | P284-G287 PolarHBondContact O-N 3.07Å; T285-G287 PolarHBondContact O-N 3.15Å; T285-G287 VanDerWaalsContact O-N 3.11Å; G287-S308 VanDerWaalsContact CA-O 3.27Å; G287-S308 WeakPolarHBondContact CA-O 3.04Å; G287-N311 WeakPolarHBondContact O-CB 3.19Å; G287-N311 PolarHBondContact O-ND2 2.83Å |
| 288 | N | 96.3 | Very high | 96.7 | Very high | 79 Ų | 79 | 36.8 Ų | 36.8 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | G | 310 helix | trans | -88.7 | -21.9 | 171.9 | -64.9 | -2.7 | 0 | 0 | 0 | 112.1 | G264 T285 I286 S290 | G264-N288 WeakPolarHBondContact O-CB 3.19Å; T285-N288 VanDerWaalsContact O-CB 3.25Å; T285-N288 WeakPolarHBondContact O-CB 3.31Å; T285-N288 PolarHBondContact O-N 2.63Å; I286-N288 PolarHBondContact O-N 2.93Å; I286-N288 VanDerWaalsContact O-N 3.13Å; N288-S290 PolarHBondContact O-N 2.94Å |
| 289 | C | 96.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | -66.5 | 71.2 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | L263 I286 S291 L292 L312 | L263-C289 PolarHBondContact O-SG 3.23Å; L263-C289 VanDerWaalsContact O-SG 3.35Å; I286-C289 WeakPolarHBondContact O-CB 3.25Å; I286-C289 PolarHBondContact O-N 2.87Å; C289-S291 PolarHBondContact O-N 2.77Å; C289-S291 VanDerWaalsContact O-N 3.1Å; C289-L292 HydrophobicContact CB-CB 4.06Å; C289-L292 VanDerWaalsContact O-CB 3.26Å; C289-L292 WeakPolarHBondContact O-CB 3.46Å; C289-L292 PolarHBondContact O-N 3.2Å; C289-L312 HydrophobicContact CB-CD2 4.45Å; C289-L312 VanDerWaalsContact O-CD2 3.26Å; C289-L312 WeakPolarHBondContact O-CD2 3.39Å | ||
| 290 | S | 91.7 | Very high | 96.7 | Very high | 63 Ų | 63 | 34.2 Ų | 34.2 | 44% | 0.441 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -20.2 | -165.9 | 62 | 0 | 0 | 0 | 0 | 114.9 | N288 S314 | N288-S290 PolarHBondContact O-N 2.94Å; S290-S314 WeakPolarHBondContact O-CB 3.35Å; S290-S314 PolarHBondContact O-OG 3.26Å |
| 291 | S | 95.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 34 Ų | 34 | 29% | 0.294 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | -6.2 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 114.6 | D267 L269 C289 Q293 | D267-S291 WeakPolarHBondContact O-CB 3.27Å; D267-S291 PolarHBondContact O-OG 2.81Å; L269-S291 CarbonylContact O-C 3.59Å; C289-S291 PolarHBondContact O-N 2.77Å; C289-S291 VanDerWaalsContact O-N 3.1Å; S291-Q293 PolarHBondContact O-N 2.69Å |
| 292 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -65.2 | 122.5 | -171.6 | -160.8 | 73.6 | 0 | 0 | 0 | 111 | L269 L272 I286 C289 L295 L312 S314 M315 | L269-L292 HydrophobicContact CB-CD1 4.31Å; L269-L292 HydrophobicContact CD2-CD1 4.03Å; L269-L292 HydrophobicContact CG-CD1 3.83Å; L269-L292 WeakPolarHBondContact O-CA 3.4Å; L269-L292 PolarHBondContact O-N 2.97Å; L272-L292 HydrophobicContact CB-CD1 3.95Å; I286-L292 HydrophobicContact CD1-CD2 4.38Å; C289-L292 HydrophobicContact CB-CB 4.06Å; C289-L292 VanDerWaalsContact O-CB 3.26Å; C289-L292 WeakPolarHBondContact O-CB 3.46Å; C289-L292 PolarHBondContact O-N 3.2Å; L292-L295 HydrophobicContact CD2-CB 4.18Å; L292-L295 HydrophobicContact CD2-CD1 4.47Å; L292-L295 HydrophobicContact CD2-CD2 4.38Å; L292-L312 HydrophobicContact CB-CD2 4.22Å; L292-L312 HydrophobicContact CD2-CD1 3.99Å; L292-S314 CarbonylContact O-C 3.56Å; L292-M315 VanDerWaalsContact O-CA 3.28Å; L292-M315 WeakPolarHBondContact O-CA 3.27Å; L292-M315 PolarHBondContact O-N 2.96Å; L292-M315 VanDerWaalsContact O-N 3.09Å | ||
| 293 | Q | 97.9 | Very high | 96.8 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 35% | 0.346 | 19% | 0.188 | S | C | . | . | trans | -109.4 | -36.9 | -175.3 | -79.3 | 173 | 64.5 | 0 | 0 | 112 | I270 S291 M315 F316 H317 | I270-Q293 HydrophobicContact CG2-CB 3.86Å; I270-Q293 HydrophobicContact CG2-CG 4.19Å; I270-Q293 PolarHBondContact O-N 3.38Å; S291-Q293 PolarHBondContact O-N 2.69Å; Q293-M315 WeakPolarHBondContact O-CA 3.46Å; Q293-F316 HydrophobicContact CB-CD1 3.88Å; Q293-F316 HydrophobicContact CB-CE1 3.89Å; Q293-F316 HydrophobicContact CG-CD1 4.32Å; Q293-F316 PolarHBondContact O-N 2.74Å; Q293-H317 PolarHBondContact O-N 2.98Å; Q293-H317 VanDerWaalsContact O-N 3.11Å | ||
| 294 | E | 98.2 | Very high | 96.9 | Very high | 39 Ų | 39 | 39.1 Ų | 39.1 | 18% | 0.182 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 126.5 | -178 | -52.3 | -170.2 | -180 | 0 | 0 | 111.3 | I270 I271 L272 Y296 F316 H317 | I270-E294 PolarHBondContact O-N 3.2Å; I271-E294 HydrophobicContact CG1-CB 4.23Å; I271-E294 HydrophobicContact CG1-CG 4.34Å; I271-E294 HydrophobicContact CG2-CB 4.34Å; L272-E294 PolarHBondContact N-O 3.16Å; E294-Y296 HydrophobicContact CB-CD2 4.45Å; E294-Y296 HydrophobicContact CB-CE2 3.82Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.35Å; E294-Y296 PolarHBondContact OE2-OH 3.26Å; E294-F316 HydrophobicContact CG-CE1 3.94Å; E294-F316 HydrophobicContact CG-CZ 3.92Å; E294-F316 WeakPolarHBondContact OE1-CZ 3.46Å; E294-H317 WeakPolarHBondContact CA-O 3.31Å; E294-H317 HydrophobicContact CB-CB 4.39Å; E294-H317 HydrophobicContact CG-CB 4.12Å |
| 295 | L | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 120.6 | 177.5 | 177.9 | 57.9 | 0 | 0 | 0 | 110.5 | L272 L292 L297 I309 M315 H317 L318 N319 | L272-L295 HydrophobicContact CB-CD1 4.03Å; L272-L295 HydrophobicContact CD2-CD1 3.92Å; L272-L295 HydrophobicContact CG-CD1 4.01Å; L292-L295 HydrophobicContact CD2-CB 4.18Å; L292-L295 HydrophobicContact CD2-CD1 4.47Å; L292-L295 HydrophobicContact CD2-CD2 4.38Å; L295-L297 HydrophobicContact CD1-CD1 4.27Å; L295-L297 HydrophobicContact CD1-CD2 4.43Å; L295-L297 HydrophobicContact CD1-CG 4.12Å; L295-L297 HydrophobicContact CD2-CD1 3.97Å; L295-L297 HydrophobicContact CG-CD1 3.94Å; L295-L297 HydrophobicContact CG-CG 4.15Å; L295-I309 HydrophobicContact CD2-CD1 3.86Å; L295-M315 HydrophobicContact CB-SD 4.07Å; L295-M315 HydrophobicContact CD2-SD 4.48Å; L295-H317 PolarHBondContact N-O 3.2Å; L295-L318 HydrophobicContact CB-CD1 3.95Å; L295-L318 HydrophobicContact CD2-CD1 3.91Å; L295-L318 HydrophobicContact CG-CD1 3.93Å; L295-N319 PolarHBondContact O-N 2.82Å |
| 296 | Y | 98.5 | Very high | 97.1 | Very high | 46 Ų | 46 | 34.9 Ų | 34.9 | 18% | 0.18 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.2 | -178.5 | -61.4 | -95.1 | 0 | 0 | 0 | 111 | L272 K273 L274 N275 E294 H317 N319 | L272-Y296 PolarHBondContact O-N 3.24Å; K273-Y296 HydrophobicContact CG-CD2 3.75Å; K273-Y296 HydrophobicContact CG-CE2 4.37Å; K273-Y296 HydrophobicContact CG-CG 4.33Å; L274-Y296 WeakPolarHBondContact CA-O 3.27Å; L274-Y296 WeakPolarHBondContact CB-O 3.46Å; L274-Y296 PolarHBondContact N-O 2.88Å; N275-Y296 VanDerWaalsContact OD1-C 3.31Å; N275-Y296 WeakPolarHBondContact OD1-CB 3.27Å; E294-Y296 HydrophobicContact CB-CD2 4.45Å; E294-Y296 HydrophobicContact CB-CE2 3.82Å; E294-Y296 WeakPolarHBondContact OE2-CE2 3.35Å; E294-Y296 PolarHBondContact OE2-OH 3.26Å; Y296-H317 AromaticContact CE1-CE1 3.67Å; Y296-H317 AromaticContact CZ-CE1 3.74Å; Y296-H317 AromaticContact CZ-ND1 3.69Å; Y296-H317 PolarHBondContact OH-CE1 3.36Å; Y296-H317 VanDerWaalsContact OH-CE1 3.3Å; Y296-H317 PolarHBondContact OH-ND1 3.36Å; Y296-H317 VanDerWaalsContact OH-ND1 3.15Å; Y296-N319 HydrophobicContact CD1-CB 4Å |
| 297 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -132.1 | 18.1 | -174.2 | -68.4 | 164.1 | 0 | 0 | 0 | 112.1 | L274 N275 L279 V282 L295 N300 L302 L305 N319 V320 N323 | L274-L297 HydrophobicContact CB-CD2 3.91Å; L274-L297 HydrophobicContact CD1-CD2 3.97Å; N275-L297 PolarHBondContact OD1-N 3.05Å; L279-L297 HydrophobicContact CD1-CD2 3.97Å; V282-L297 HydrophobicContact CG2-CD1 3.89Å; V282-L297 HydrophobicContact CG2-CD2 4.09Å; L295-L297 HydrophobicContact CD1-CD1 4.27Å; L295-L297 HydrophobicContact CD1-CD2 4.43Å; L295-L297 HydrophobicContact CD1-CG 4.12Å; L295-L297 HydrophobicContact CD2-CD1 3.97Å; L295-L297 HydrophobicContact CG-CD1 3.94Å; L295-L297 HydrophobicContact CG-CG 4.15Å; L297-N300 PolarHBondContact O-ND2 2.9Å; L297-N300 VanDerWaalsContact O-ND2 3.08Å; L297-L302 HydrophobicContact CB-CD1 4.03Å; L297-L302 HydrophobicContact CD1-CD1 3.96Å; L297-L302 HydrophobicContact CD2-CD1 4.28Å; L297-L302 HydrophobicContact CG-CD1 4.32Å; L297-L305 HydrophobicContact CD1-CD2 4.42Å; L297-N319 PolarHBondContact N-O 2.95Å; L297-V320 HydrophobicContact CB-CG1 4Å; L297-V320 HydrophobicContact CB-CG2 4.49Å; L297-V320 HydrophobicContact CD1-CG1 4.44Å; L297-V320 HydrophobicContact CD1-CG2 4.28Å; L297-N323 PolarHBondContact O-ND2 3.46Å | ||
| 298 | T | 97.7 | Very high | 97.2 | Very high | 23 Ų | 23 | 38.7 Ų | 38.7 | 14% | 0.141 | 21% | 0.21 | C | C | . | . | trans | -54.6 | 141.1 | -177.5 | -49.5 | 0 | 0 | 0 | 0 | 111.5 | N275 Q276 N300 N319 D321 | N275-T298 CarbonylContact C-O 3.33Å; N275-T298 WeakPolarHBondContact CA-O 3.43Å; N275-T298 VanDerWaalsContact OD1-CB 3.3Å; N275-T298 WeakPolarHBondContact OD1-CB 3.47Å; N275-T298 PolarHBondContact OD1-N 3.32Å; N275-T298 PolarHBondContact OD1-OG1 2.82Å; Q276-T298 PolarHBondContact N-O 3.48Å; T298-N300 PolarHBondContact O-ND2 2.91Å; T298-N319 VanDerWaalsContact OG1-CG 3.27Å; T298-N319 PolarHBondContact OG1-OD1 3.08Å; T298-D321 CarbonylContact C-O 3.57Å; T298-D321 VanDerWaalsContact CA-O 3.3Å; T298-D321 WeakPolarHBondContact CA-O 3.44Å; T298-D321 HydrophobicContact CG2-CB 3.98Å | ||
| 299 | E | 97.7 | Very high | 97.2 | Very high | 70 Ų | 70 | 35 Ų | 35 | 33% | 0.327 | 19% | 0.19 | S | C | . | . | S | Bend | trans | 55.2 | 66.1 | 177.8 | -70.3 | 172.4 | -129.4 | 0 | 0 | 112.4 | Q276 N277 D321 Q322 | Q276-E299 VanDerWaalsContact CA-O 3.27Å; Q276-E299 WeakPolarHBondContact CA-O 3.43Å; Q276-E299 HydrophobicContact CG-CB 3.68Å; Q276-E299 HydrophobicContact CG-CG 4.34Å; Q276-E299 VanDerWaalsContact CG-OE2 3.29Å; Q276-E299 WeakPolarHBondContact CG-OE2 3.31Å; Q276-E299 PolarHBondContact N-O 2.8Å; Q276-E299 PolarHBondContact NE2-OE1 2.99Å; Q276-E299 PolarHBondContact NE2-OE2 3.18Å; N277-E299 PolarHBondContact N-O 2.97Å; E299-D321 PolarHBondContact N-O 3.29Å; E299-Q322 WeakPolarHBondContact CA-O 3.14Å; E299-Q322 HydrophobicContact CG-CB 3.66Å; E299-Q322 HydrophobicContact CG-CG 4.21Å; E299-Q322 PolarHBondContact N-O 3.22Å; E299-Q322 PolarHBondContact OE1-NE2 3.44Å |
| 300 | N | 98 | Very high | 97.2 | Very high | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.032 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -133.5 | -177 | 171.6 | -85.1 | -89 | 0 | 0 | 0 | 109.7 | L274 N277 R278 L279 L297 T298 L302 Q322 N323 | L274-N300 PolarHBondContact O-ND2 3.03Å; N277-N300 WeakPolarHBondContact CA-OD1 3.43Å; N277-N300 WeakPolarHBondContact CB-OD1 3.15Å; N277-N300 PolarHBondContact O-OD1 3.06Å; R278-N300 PolarHBondContact N-OD1 2.97Å; L279-N300 HydrophobicContact CB-CB 4.36Å; L279-N300 VanDerWaalsContact CB-OD1 3.27Å; L279-N300 WeakPolarHBondContact CB-OD1 3.17Å; L279-N300 WeakPolarHBondContact CG-OD1 3.48Å; L279-N300 PolarHBondContact N-OD1 3.1Å; L297-N300 PolarHBondContact O-ND2 2.9Å; L297-N300 VanDerWaalsContact O-ND2 3.08Å; T298-N300 PolarHBondContact O-ND2 2.91Å; N300-L302 HydrophobicContact CB-CG 4.19Å; N300-Q322 PolarHBondContact N-O 2.86Å; N300-N323 WeakPolarHBondContact CA-OD1 3.46Å; N300-N323 VanDerWaalsContact CB-OD1 3.23Å; N300-N323 WeakPolarHBondContact CB-OD1 3.41Å; N300-N323 PolarHBondContact N-ND2 3.38Å; N300-N323 PolarHBondContact O-OD1 2.9Å |
| 301 | F | 97.4 | Very high | 97.5 | Very high | 76 Ų | 76 | 35.9 Ų | 35.9 | 33% | 0.333 | 19% | 0.19 | S | C | . | . | trans | -107.4 | 31 | -179.6 | -56.7 | -60.3 | 0 | 0 | 0 | 112.4 | R278 L279 L280 S303 | R278-F301 HydrophobicContact CB-CD2 4.21Å; R278-F301 HydrophobicContact CB-CE2 4.1Å; R278-F301 HydrophobicContact CG-CE2 4.18Å; L279-F301 CarbonylContact O-C 3.21Å; L279-F301 WeakPolarHBondContact O-CA 3.28Å; L279-F301 PolarHBondContact O-N 3.03Å; L280-F301 HydrophobicContact CD2-CB 3.91Å; F301-S303 PolarHBondContact O-N 2.84Å | ||
| 302 | L | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 18% | 0.176 | C | C | . | . | trans | -69.7 | 116.8 | -175.8 | -59.9 | 173.4 | 0 | 0 | 0 | 110.7 | L279 V282 L297 N300 L305 V320 N323 Q324 L325 | L279-L302 HydrophobicContact CB-CD2 3.94Å; L279-L302 PolarHBondContact O-N 3.33Å; V282-L302 HydrophobicContact CG2-CD1 3.96Å; V282-L302 HydrophobicContact CG2-CD2 3.88Å; L297-L302 HydrophobicContact CB-CD1 4.03Å; L297-L302 HydrophobicContact CD1-CD1 3.96Å; L297-L302 HydrophobicContact CD2-CD1 4.28Å; L297-L302 HydrophobicContact CG-CD1 4.32Å; N300-L302 HydrophobicContact CB-CG 4.19Å; L302-L305 HydrophobicContact CD1-CD2 4.33Å; L302-V320 HydrophobicContact CD1-CG1 3.78Å; L302-N323 HydrophobicContact CB-CB 4.45Å; L302-N323 WeakPolarHBondContact CB-OD1 3.31Å; L302-N323 VanDerWaalsContact CG-OD1 3.28Å; L302-N323 WeakPolarHBondContact CG-OD1 3.42Å; L302-N323 PolarHBondContact N-OD1 3.5Å; L302-Q324 CarbonylContact O-C 3.5Å; L302-Q324 VanDerWaalsContact O-CA 3.26Å; L302-Q324 WeakPolarHBondContact O-CA 3.32Å; L302-Q324 PolarHBondContact O-N 2.92Å; L302-L325 HydrophobicContact CB-CD2 4.14Å; L302-L325 PolarHBondContact O-N 2.86Å; L302-L325 VanDerWaalsContact O-N 3.12Å | ||
| 303 | S | 96.1 | Very high | 97.4 | Very high | 54 Ų | 54 | 37.5 Ų | 37.5 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -84.5 | -20.3 | 173.9 | 54.4 | 0 | 0 | 0 | 0 | 113.6 | F301 | F301-S303 PolarHBondContact O-N 2.84Š|
| 304 | K | 97.1 | Very high | 97.2 | Very high | 126 Ų | 126 | 36 Ų | 36 | 55% | 0.548 | 20% | 0.195 | S | C | . | . | trans | -159.8 | 158.3 | 178.6 | 64.7 | -174.2 | -179.1 | -177.6 | 0 | 111.1 | L325 | K304-L325 VanDerWaalsContact CA-CD2 3.47Š| ||
| 305 | L | 97.9 | Very high | 97.2 | Very high | 9 Ų | 9 | 34.1 Ų | 34.1 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | trans | -95.5 | 148.3 | 165.4 | -63.3 | 175.6 | 0 | 0 | 0 | 110.6 | L297 L302 L318 V320 L325 L328 P329 | L297-L305 HydrophobicContact CD1-CD2 4.42Å; L302-L305 HydrophobicContact CD1-CD2 4.33Å; L305-L318 HydrophobicContact CD1-CD2 4.43Å; L305-V320 HydrophobicContact CD1-CG2 4.32Å; L305-V320 HydrophobicContact CD2-CG1 4.32Å; L305-V320 HydrophobicContact CD2-CG2 4.38Å; L305-L325 HydrophobicContact CD1-CD1 4.37Å; L305-L325 HydrophobicContact CD2-CD2 4.47Å; L305-L325 HydrophobicContact CG-CD1 4.28Å; L305-L325 HydrophobicContact CG-CD2 4.06Å; L305-L328 HydrophobicContact CD1-CD2 4.25Å; L305-P329 HydrophobicContact CB-CG 4.22Å | ||
| 306 | P | 97.3 | Very high | 97.1 | Very high | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.123 | 20% | 0.198 | C | C | . | . | trans | -70.9 | 145.8 | 174.6 | 30.7 | -34.8 | 0 | 0 | 0 | 110.9 | V282 I286 S308 I309 | V282-P306 HydrophobicContact CB-CG 4.27Å; I286-P306 HydrophobicContact CG2-CG 4.04Å; P306-S308 PolarHBondContact O-N 3.1Å; P306-I309 VanDerWaalsContact O-CB 3.3Å; P306-I309 WeakPolarHBondContact O-CB 3.26Å; P306-I309 WeakPolarHBondContact O-CG2 3.29Å; P306-I309 PolarHBondContact O-N 2.85Å | ||
| 307 | S | 97.2 | Very high | 97.1 | Very high | 68 Ų | 68 | 35.4 Ų | 35.4 | 48% | 0.476 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -62.1 | -26.1 | 178 | 48.3 | 0 | 0 | 0 | 0 | 113.5 | I309 G310 E331 | S307-I309 PolarHBondContact O-N 3.34Å; S307-I309 VanDerWaalsContact O-N 3.13Å; S307-G310 PolarHBondContact O-N 3.47Å; S307-E331 VanDerWaalsContact CB-CD 3.5Å; S307-E331 WeakPolarHBondContact CB-OE1 3.39Å; S307-E331 WeakPolarHBondContact O-CB 3.2Å |
| 308 | S | 97.2 | Very high | 97.1 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 13% | 0.126 | 19% | 0.193 | C | C | . | . | G | 310 helix | trans | -63.4 | -12.1 | 173.8 | 55.7 | 0 | 0 | 0 | 0 | 114.1 | P284 G287 P306 G310 N311 | P284-S308 WeakPolarHBondContact CA-OG 3.3Å; P284-S308 VanDerWaalsContact O-CB 3.26Å; P284-S308 WeakPolarHBondContact O-CB 3.35Å; P284-S308 PolarHBondContact O-OG 3.06Å; G287-S308 VanDerWaalsContact CA-O 3.27Å; G287-S308 WeakPolarHBondContact CA-O 3.04Å; P306-S308 PolarHBondContact O-N 3.1Å; S308-G310 PolarHBondContact O-N 2.83Å; S308-G310 VanDerWaalsContact O-N 3.15Å; S308-N311 VanDerWaalsContact O-CB 3.29Å; S308-N311 WeakPolarHBondContact O-CB 3.45Å; S308-N311 PolarHBondContact O-N 2.74Å |
| 309 | I | 97.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -54.9 | -30.8 | 171 | -159.1 | 75 | 0 | 0 | 0 | 111.8 | L295 P306 S307 N311 L312 M315 P329 I332 C335 | L295-I309 HydrophobicContact CD2-CD1 3.86Å; P306-I309 VanDerWaalsContact O-CB 3.3Å; P306-I309 WeakPolarHBondContact O-CB 3.26Å; P306-I309 WeakPolarHBondContact O-CG2 3.29Å; P306-I309 PolarHBondContact O-N 2.85Å; S307-I309 PolarHBondContact O-N 3.34Å; S307-I309 VanDerWaalsContact O-N 3.13Å; I309-N311 PolarHBondContact O-N 3.42Å; I309-L312 HydrophobicContact CD1-CD1 3.71Å; I309-L312 HydrophobicContact CG1-CD1 4.39Å; I309-L312 WeakPolarHBondContact O-CB 3.41Å; I309-L312 WeakPolarHBondContact O-CG 3.47Å; I309-L312 PolarHBondContact O-N 3.36Å; I309-M315 HydrophobicContact CD1-CE 4.41Å; I309-M315 HydrophobicContact CG1-CE 4.08Å; I309-P329 HydrophobicContact CG2-CG 3.8Å; I309-I332 HydrophobicContact CG2-CD1 4.27Å; I309-C335 PolarHBondContact O-SG 3.17Å |
| 310 | G | 96.2 | Very high | 97.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -64 | -20.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115 | S307 S308 L312 E331 Q334 | S307-G310 PolarHBondContact O-N 3.47Å; S308-G310 PolarHBondContact O-N 2.83Å; S308-G310 VanDerWaalsContact O-N 3.15Å; G310-L312 PolarHBondContact O-N 2.98Å; G310-E331 WeakPolarHBondContact CA-O 3.14Å; G310-Q334 CarbonylContact O-C 3.42Å; G310-Q334 WeakPolarHBondContact O-CB 3.42Å |
| 311 | N | 96.6 | Very high | 97.1 | Very high | 81 Ų | 81 | 32.6 Ų | 32.6 | 43% | 0.433 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -71.3 | -16.9 | 177.1 | -64 | -8.6 | 0 | 0 | 0 | 112.5 | G287 S308 I309 V313 | G287-N311 WeakPolarHBondContact O-CB 3.19Å; G287-N311 PolarHBondContact O-ND2 2.83Å; S308-N311 VanDerWaalsContact O-CB 3.29Å; S308-N311 WeakPolarHBondContact O-CB 3.45Å; S308-N311 PolarHBondContact O-N 2.74Å; I309-N311 PolarHBondContact O-N 3.42Å; N311-V313 PolarHBondContact O-N 3.43Å |
| 312 | L | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -77.1 | 63.6 | -178.5 | -58.2 | -178.3 | 0 | 0 | 0 | 111.3 | I286 C289 L292 I309 G310 S314 M315 | I286-L312 WeakPolarHBondContact O-CD2 3.42Å; C289-L312 HydrophobicContact CB-CD2 4.45Å; C289-L312 VanDerWaalsContact O-CD2 3.26Å; C289-L312 WeakPolarHBondContact O-CD2 3.39Å; L292-L312 HydrophobicContact CB-CD2 4.22Å; L292-L312 HydrophobicContact CD2-CD1 3.99Å; I309-L312 HydrophobicContact CD1-CD1 3.71Å; I309-L312 HydrophobicContact CG1-CD1 4.39Å; I309-L312 WeakPolarHBondContact O-CB 3.41Å; I309-L312 WeakPolarHBondContact O-CG 3.47Å; I309-L312 PolarHBondContact O-N 3.36Å; G310-L312 PolarHBondContact O-N 2.98Å; L312-S314 PolarHBondContact O-N 3.02Å; L312-S314 VanDerWaalsContact O-N 3.13Å; L312-M315 HydrophobicContact CB-CB 3.87Å; L312-M315 HydrophobicContact CB-CE 4.25Å; L312-M315 HydrophobicContact CB-SD 4.49Å; L312-M315 HydrophobicContact CD1-CE 4.26Å; L312-M315 HydrophobicContact CD1-SD 3.95Å; L312-M315 VanDerWaalsContact O-CB 3.28Å; L312-M315 WeakPolarHBondContact O-CB 3.18Å; L312-M315 PolarHBondContact O-N 3.07Å | ||
| 313 | V | 95.2 | Very high | 97.1 | Very high | 75 Ų | 75 | 33.4 Ų | 33.4 | 46% | 0.455 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.4 | -176.6 | -64.2 | 0 | 0 | 0 | 0 | 113.7 | N311 S337 | N311-V313 PolarHBondContact O-N 3.43Å; V313-S337 WeakPolarHBondContact O-CB 3.48Å; V313-S337 PolarHBondContact O-OG 3.4Å |
| 314 | S | 95.1 | Very high | 97.2 | Very high | 43 Ų | 43 | 34.6 Ų | 34.6 | 30% | 0.301 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -21.2 | 175.6 | -53.5 | 0 | 0 | 0 | 0 | 113.1 | S290 L292 L312 F316 | S290-S314 WeakPolarHBondContact O-CB 3.35Å; S290-S314 PolarHBondContact O-OG 3.26Å; L292-S314 CarbonylContact O-C 3.56Å; L312-S314 PolarHBondContact O-N 3.02Å; L312-S314 VanDerWaalsContact O-N 3.13Å; S314-F316 PolarHBondContact O-N 2.9Å |
| 315 | M | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | trans | -64.5 | 120.2 | -173.7 | -172 | 173.2 | 60.2 | 0 | 0 | 111.1 | L292 Q293 L295 I309 L312 L318 C335 S337 L338 | L292-M315 VanDerWaalsContact O-CA 3.28Å; L292-M315 WeakPolarHBondContact O-CA 3.27Å; L292-M315 PolarHBondContact O-N 2.96Å; L292-M315 VanDerWaalsContact O-N 3.09Å; Q293-M315 WeakPolarHBondContact O-CA 3.46Å; L295-M315 HydrophobicContact CB-SD 4.07Å; L295-M315 HydrophobicContact CD2-SD 4.48Å; I309-M315 HydrophobicContact CD1-CE 4.41Å; I309-M315 HydrophobicContact CG1-CE 4.08Å; L312-M315 HydrophobicContact CB-CB 3.87Å; L312-M315 HydrophobicContact CB-CE 4.25Å; L312-M315 HydrophobicContact CB-SD 4.49Å; L312-M315 HydrophobicContact CD1-CE 4.26Å; L312-M315 HydrophobicContact CD1-SD 3.95Å; L312-M315 VanDerWaalsContact O-CB 3.28Å; L312-M315 WeakPolarHBondContact O-CB 3.18Å; L312-M315 PolarHBondContact O-N 3.07Å; M315-L318 HydrophobicContact CE-CB 4.21Å; M315-L318 HydrophobicContact CE-CD2 3.97Å; M315-L318 HydrophobicContact CE-CG 4.5Å; M315-L318 HydrophobicContact SD-CB 4.03Å; M315-L318 HydrophobicContact SD-CD1 4.16Å; M315-L318 HydrophobicContact SD-CG 4.46Å; M315-C335 HydrophobicContact CE-CB 4.36Å; M315-S337 CarbonylContact O-C 3.1Å; M315-S337 VanDerWaalsContact O-C 3.27Å; M315-L338 HydrophobicContact CE-CD1 4.37Å; M315-L338 HydrophobicContact CG-CD1 4.42Å; M315-L338 VanDerWaalsContact O-CA 3.32Å; M315-L338 WeakPolarHBondContact O-CA 3.44Å; M315-L338 PolarHBondContact O-N 3.31Å; M315-L338 VanDerWaalsContact O-N 3.07Å | ||
| 316 | F | 96.3 | Very high | 97.2 | Very high | 53 Ų | 53 | 31.8 Ų | 31.8 | 23% | 0.232 | 18% | 0.178 | C | C | . | . | trans | -110.9 | -21.1 | 177.2 | 81.1 | -96 | 0 | 0 | 0 | 112.9 | Q293 E294 S314 S337 N339 I340 | Q293-F316 HydrophobicContact CB-CD1 3.88Å; Q293-F316 HydrophobicContact CB-CE1 3.89Å; Q293-F316 HydrophobicContact CG-CD1 4.32Å; Q293-F316 PolarHBondContact O-N 2.74Å; E294-F316 HydrophobicContact CG-CE1 3.94Å; E294-F316 HydrophobicContact CG-CZ 3.92Å; E294-F316 WeakPolarHBondContact OE1-CZ 3.46Å; S314-F316 PolarHBondContact O-N 2.9Å; F316-S337 WeakPolarHBondContact CB-O 3.36Å; F316-N339 HydrophobicContact CB-CB 4.26Å; F316-N339 HydrophobicContact CD2-CB 4.45Å; F316-N339 WeakPolarHBondContact O-CA 3.18Å; F316-N339 WeakPolarHBondContact O-CB 3.16Å; F316-N339 PolarHBondContact O-N 2.97Å; F316-I340 PolarHBondContact O-N 3.1Å | ||
| 317 | H | 97.5 | Very high | 97.1 | Very high | 20 Ų | 20 | 35.7 Ų | 35.7 | 9% | 0.093 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120 | 177.8 | -165.6 | -179 | 0 | 0 | 0 | 110.7 | Q293 E294 L295 Y296 I340 | Q293-H317 PolarHBondContact O-N 2.98Å; Q293-H317 VanDerWaalsContact O-N 3.11Å; E294-H317 WeakPolarHBondContact CA-O 3.31Å; E294-H317 HydrophobicContact CB-CB 4.39Å; E294-H317 HydrophobicContact CG-CB 4.12Å; L295-H317 PolarHBondContact N-O 3.2Å; Y296-H317 AromaticContact CE1-CE1 3.67Å; Y296-H317 AromaticContact CZ-CE1 3.74Å; Y296-H317 AromaticContact CZ-ND1 3.69Å; Y296-H317 PolarHBondContact OH-CE1 3.36Å; Y296-H317 VanDerWaalsContact OH-CE1 3.3Å; Y296-H317 PolarHBondContact OH-ND1 3.36Å; Y296-H317 VanDerWaalsContact OH-ND1 3.15Å; H317-I340 WeakPolarHBondContact CA-O 3.16Å |
| 318 | L | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.2 | 171.7 | 176.7 | 60.8 | 0 | 0 | 0 | 109.4 | L295 L305 M315 V320 I332 L338 I340 L341 S342 | L295-L318 HydrophobicContact CB-CD1 3.95Å; L295-L318 HydrophobicContact CD2-CD1 3.91Å; L295-L318 HydrophobicContact CG-CD1 3.93Å; L305-L318 HydrophobicContact CD1-CD2 4.43Å; M315-L318 HydrophobicContact CE-CB 4.21Å; M315-L318 HydrophobicContact CE-CD2 3.97Å; M315-L318 HydrophobicContact CE-CG 4.5Å; M315-L318 HydrophobicContact SD-CB 4.03Å; M315-L318 HydrophobicContact SD-CD1 4.16Å; M315-L318 HydrophobicContact SD-CG 4.46Å; L318-V320 HydrophobicContact CD1-CG2 3.69Å; L318-V320 HydrophobicContact CD2-CG2 4.28Å; L318-V320 HydrophobicContact CG-CG2 3.82Å; L318-I332 HydrophobicContact CD2-CD1 4Å; L318-L338 HydrophobicContact CB-CD1 3.9Å; L318-I340 PolarHBondContact N-O 3.16Å; L318-L341 HydrophobicContact CB-CD1 4.02Å; L318-L341 HydrophobicContact CD2-CD1 3.83Å; L318-L341 HydrophobicContact CG-CD1 3.98Å; L318-L341 WeakPolarHBondContact O-CA 3.42Å; L318-S342 PolarHBondContact O-N 3.17Å |
| 319 | N | 98.1 | Very high | 97.2 | Very high | 21 Ų | 21 | 33 Ų | 33 | 11% | 0.112 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.9 | 170.5 | -172.9 | -46 | 0 | 0 | 0 | 109.9 | L295 Y296 L297 T298 D321 | L295-N319 PolarHBondContact O-N 2.82Å; Y296-N319 HydrophobicContact CD1-CB 4Å; L297-N319 PolarHBondContact N-O 2.95Å; T298-N319 VanDerWaalsContact OG1-CG 3.27Å; T298-N319 PolarHBondContact OG1-OD1 3.08Å; N319-D321 PolarHBondContact ND2-OD2 3.36Å; N319-D321 WeakPolarHBondContact OD1-CB 3.17Å; N319-D321 PolarHBondContact OD1-N 3.16Å; N319-D321 PolarHBondContact OD1-OD2 2.98Å |
| 320 | V | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | trans | -132.6 | 37.2 | 174.3 | -154.9 | 0 | 0 | 0 | 0 | 110.3 | L297 L302 L305 L318 N323 L325 S342 L343 N346 | L297-V320 HydrophobicContact CB-CG1 4Å; L297-V320 HydrophobicContact CB-CG2 4.49Å; L297-V320 HydrophobicContact CD1-CG1 4.44Å; L297-V320 HydrophobicContact CD1-CG2 4.28Å; L302-V320 HydrophobicContact CD1-CG1 3.78Å; L305-V320 HydrophobicContact CD1-CG2 4.32Å; L305-V320 HydrophobicContact CD2-CG1 4.32Å; L305-V320 HydrophobicContact CD2-CG2 4.38Å; L318-V320 HydrophobicContact CD1-CG2 3.69Å; L318-V320 HydrophobicContact CD2-CG2 4.28Å; L318-V320 HydrophobicContact CG-CG2 3.82Å; V320-N323 HydrophobicContact CG1-CB 4.27Å; V320-L325 HydrophobicContact CB-CD1 4.15Å; V320-L325 HydrophobicContact CG1-CD1 3.88Å; V320-S342 PolarHBondContact N-O 2.85Å; V320-L343 HydrophobicContact CB-CD2 4.14Å; V320-L343 HydrophobicContact CG2-CD2 4.33Å; V320-N346 PolarHBondContact O-ND2 3.18Å | ||
| 321 | D | 98.1 | Very high | 97.3 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | trans | -63.4 | 156.3 | 179.9 | -62.3 | -24.5 | 0 | 0 | 0 | 111.8 | T298 E299 N319 N323 S342 L343 R344 | T298-D321 CarbonylContact C-O 3.57Å; T298-D321 VanDerWaalsContact CA-O 3.3Å; T298-D321 WeakPolarHBondContact CA-O 3.44Å; T298-D321 HydrophobicContact CG2-CB 3.98Å; E299-D321 PolarHBondContact N-O 3.29Å; N319-D321 PolarHBondContact ND2-OD2 3.36Å; N319-D321 WeakPolarHBondContact OD1-CB 3.17Å; N319-D321 PolarHBondContact OD1-N 3.16Å; N319-D321 PolarHBondContact OD1-OD2 2.98Å; D321-N323 PolarHBondContact O-N 2.95Å; D321-N323 PolarHBondContact O-ND2 3.33Å; D321-S342 WeakPolarHBondContact OD1-CB 3.4Å; D321-S342 PolarHBondContact OD1-OG 3.42Å; D321-S342 PolarHBondContact OD2-OG 3.19Å; D321-L343 PolarHBondContact OD1-N 3.2Å; D321-R344 CarbonylContact C-O 3.07Å; D321-R344 VanDerWaalsContact CA-O 3.24Å; D321-R344 WeakPolarHBondContact CA-O 3.42Å; D321-R344 HydrophobicContact CB-CB 4.24Å; D321-R344 WeakPolarHBondContact OD1-CB 3.42Å; D321-R344 PolarHBondContact OD1-N 3.02Å | ||
| 322 | Q | 97.6 | Very high | 97.3 | Very high | 83 Ų | 83 | 34.5 Ų | 34.5 | 39% | 0.388 | 19% | 0.185 | S | C | . | . | S | Bend | trans | 50.2 | 59.4 | 176.7 | -65.4 | -177.2 | 77.5 | 0 | 0 | 112.4 | E299 N300 R344 E345 | E299-Q322 WeakPolarHBondContact CA-O 3.14Å; E299-Q322 HydrophobicContact CG-CB 3.66Å; E299-Q322 HydrophobicContact CG-CG 4.21Å; E299-Q322 PolarHBondContact N-O 3.22Å; E299-Q322 PolarHBondContact OE1-NE2 3.44Å; N300-Q322 PolarHBondContact N-O 2.86Å; Q322-R344 PolarHBondContact N-O 2.85Å; Q322-E345 VanDerWaalsContact CA-O 3.31Å; Q322-E345 WeakPolarHBondContact CA-O 3.29Å; Q322-E345 HydrophobicContact CG-CB 4.05Å |
| 323 | N | 98.1 | Very high | 97.3 | Very high | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -134.1 | -171.9 | -179.7 | -91.2 | -91.8 | 0 | 0 | 0 | 110.1 | L297 N300 L302 V320 D321 L325 E345 N346 | L297-N323 PolarHBondContact O-ND2 3.46Å; N300-N323 WeakPolarHBondContact CA-OD1 3.46Å; N300-N323 VanDerWaalsContact CB-OD1 3.23Å; N300-N323 WeakPolarHBondContact CB-OD1 3.41Å; N300-N323 PolarHBondContact N-ND2 3.38Å; N300-N323 PolarHBondContact O-OD1 2.9Å; L302-N323 HydrophobicContact CB-CB 4.45Å; L302-N323 WeakPolarHBondContact CB-OD1 3.31Å; L302-N323 VanDerWaalsContact CG-OD1 3.28Å; L302-N323 WeakPolarHBondContact CG-OD1 3.42Å; L302-N323 PolarHBondContact N-OD1 3.5Å; V320-N323 HydrophobicContact CG1-CB 4.27Å; D321-N323 PolarHBondContact O-N 2.95Å; D321-N323 PolarHBondContact O-ND2 3.33Å; N323-L325 HydrophobicContact CB-CG 4.49Å; N323-E345 PolarHBondContact N-O 2.87Å; N323-N346 WeakPolarHBondContact CA-OD1 3.36Å; N323-N346 WeakPolarHBondContact CB-OD1 2.67Å; N323-N346 PolarHBondContact O-OD1 3.15Å |
| 324 | Q | 97.2 | Very high | 97.4 | Very high | 79 Ų | 79 | 35.9 Ų | 35.9 | 37% | 0.369 | 19% | 0.188 | S | C | . | . | trans | -112.8 | 21.7 | -175.2 | -57.6 | -175.1 | 7.1 | 0 | 0 | 113 | L302 T326 N346 | L302-Q324 CarbonylContact O-C 3.5Å; L302-Q324 VanDerWaalsContact O-CA 3.26Å; L302-Q324 WeakPolarHBondContact O-CA 3.32Å; L302-Q324 PolarHBondContact O-N 2.92Å; Q324-T326 PolarHBondContact O-N 2.9Å; Q324-N346 PolarHBondContact N-OD1 2.85Å | ||
| 325 | L | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | trans | -62 | 124.7 | -175.3 | -59.5 | 177.6 | 0 | 0 | 0 | 111.1 | L302 K304 L305 V320 N323 L328 L343 N346 N347 L348 | L302-L325 HydrophobicContact CB-CD2 4.14Å; L302-L325 PolarHBondContact O-N 2.86Å; L302-L325 VanDerWaalsContact O-N 3.12Å; K304-L325 VanDerWaalsContact CA-CD2 3.47Å; L305-L325 HydrophobicContact CD1-CD1 4.37Å; L305-L325 HydrophobicContact CD2-CD2 4.47Å; L305-L325 HydrophobicContact CG-CD1 4.28Å; L305-L325 HydrophobicContact CG-CD2 4.06Å; V320-L325 HydrophobicContact CB-CD1 4.15Å; V320-L325 HydrophobicContact CG1-CD1 3.88Å; N323-L325 HydrophobicContact CB-CG 4.49Å; L325-L328 HydrophobicContact CD1-CD2 4.17Å; L325-L343 HydrophobicContact CD1-CD2 3.97Å; L325-N346 HydrophobicContact CB-CB 4.31Å; L325-N346 VanDerWaalsContact CB-OD1 3.24Å; L325-N346 WeakPolarHBondContact CB-OD1 3.39Å; L325-N346 VanDerWaalsContact CG-OD1 3.24Å; L325-N346 WeakPolarHBondContact CG-OD1 3.36Å; L325-N346 PolarHBondContact N-OD1 3.11Å; L325-N347 CarbonylContact O-C 3.13Å; L325-N347 VanDerWaalsContact O-CA 3.23Å; L325-N347 WeakPolarHBondContact O-CA 3.48Å; L325-N347 PolarHBondContact O-N 3.27Å; L325-L348 HydrophobicContact CB-CD2 3.91Å; L325-L348 HydrophobicContact CB-CG 4.48Å; L325-L348 PolarHBondContact O-N 2.9Å; L325-L348 VanDerWaalsContact O-N 3.15Å | ||
| 326 | T | 96.4 | Very high | 97.2 | Very high | 76 Ų | 76 | 37.2 Ų | 37.2 | 47% | 0.466 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -97.1 | -25.6 | 176 | 55.4 | 0 | 0 | 0 | 0 | 113.2 | Q324 N347 | Q324-T326 PolarHBondContact O-N 2.9Å; T326-N347 HydrophobicContact CG2-CB 4.26Å |
| 327 | E | 97 | Very high | 97.2 | Very high | 101 Ų | 101 | 35.5 Ų | 35.5 | 47% | 0.472 | 19% | 0.189 | S | C | . | . | trans | -148.8 | 163.6 | 171.6 | 63.5 | -178.9 | -177.3 | 0 | 0 | 111.3 | R350 | E327-R350 IonicContact OE2-NH2 3.83Š| ||
| 328 | L | 97.6 | Very high | 97.2 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | trans | -103.4 | 144.7 | 168 | -58.3 | 174 | 0 | 0 | 0 | 109.5 | L305 L325 L343 L348 L351 P352 | L305-L328 HydrophobicContact CD1-CD2 4.25Å; L325-L328 HydrophobicContact CD1-CD2 4.17Å; L328-L343 HydrophobicContact CD1-CD1 3.6Å; L328-L343 HydrophobicContact CD2-CD1 4.02Å; L328-L343 HydrophobicContact CD2-CD2 3.9Å; L328-L343 HydrophobicContact CG-CD1 4.33Å; L328-L348 HydrophobicContact CD2-CD1 4.37Å; L328-L348 HydrophobicContact CD2-CD2 4.23Å; L328-L348 HydrophobicContact CG-CD1 4.29Å; L328-L348 HydrophobicContact CG-CD2 4.08Å; L328-L351 HydrophobicContact CD1-CD2 3.86Å; L328-P352 HydrophobicContact CB-CG 4.13Å | ||
| 329 | P | 97.7 | Very high | 97.1 | Very high | 21 Ų | 21 | 36 Ų | 36 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | trans | -63.7 | 141.1 | 172 | 27.9 | -34.2 | 0 | 0 | 0 | 110.7 | L305 I309 E331 I332 | L305-P329 HydrophobicContact CB-CG 4.22Å; I309-P329 HydrophobicContact CG2-CG 3.8Å; P329-E331 PolarHBondContact O-N 3.16Å; P329-E331 VanDerWaalsContact O-N 3.12Å; P329-I332 WeakPolarHBondContact O-CB 3.36Å; P329-I332 WeakPolarHBondContact O-CG2 3.16Å; P329-I332 PolarHBondContact O-N 2.87Å | ||
| 330 | S | 97.5 | Very high | 97 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 38% | 0.378 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -53.9 | -30.7 | 173.7 | 39.3 | 0 | 0 | 0 | 0 | 112.9 | I332 G333 E354 | S330-I332 PolarHBondContact O-N 3.25Å; S330-I332 VanDerWaalsContact O-N 3.13Å; S330-G333 PolarHBondContact O-N 3.36Å; S330-G333 VanDerWaalsContact O-N 3.17Å; S330-E354 WeakPolarHBondContact O-CB 3.39Å |
| 331 | E | 97.9 | Very high | 97 | Very high | 59 Ų | 59 | 37.2 Ų | 37.2 | 28% | 0.276 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -62.9 | -15.5 | 178.4 | -66.4 | 87.5 | 153.3 | 0 | 0 | 113 | S307 G310 P329 G333 Q334 | S307-E331 VanDerWaalsContact CB-CD 3.5Å; S307-E331 WeakPolarHBondContact CB-OE1 3.39Å; S307-E331 WeakPolarHBondContact O-CB 3.2Å; G310-E331 WeakPolarHBondContact CA-O 3.14Å; P329-E331 PolarHBondContact O-N 3.16Å; P329-E331 VanDerWaalsContact O-N 3.12Å; E331-G333 PolarHBondContact O-N 3.12Å; E331-G333 VanDerWaalsContact O-N 3.1Å; E331-Q334 VanDerWaalsContact O-CB 3.25Å; E331-Q334 WeakPolarHBondContact O-CB 3.3Å; E331-Q334 WeakPolarHBondContact O-CG 3.05Å; E331-Q334 PolarHBondContact O-N 3.23Å |
| 332 | I | 97.5 | Very high | 97 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -55.2 | -29.1 | 171.2 | -162.4 | 62.7 | 0 | 0 | 0 | 112.3 | I309 L318 P329 S330 Q334 C335 P352 C358 | I309-I332 HydrophobicContact CG2-CD1 4.27Å; L318-I332 HydrophobicContact CD2-CD1 4Å; P329-I332 WeakPolarHBondContact O-CB 3.36Å; P329-I332 WeakPolarHBondContact O-CG2 3.16Å; P329-I332 PolarHBondContact O-N 2.87Å; S330-I332 PolarHBondContact O-N 3.25Å; S330-I332 VanDerWaalsContact O-N 3.13Å; I332-Q334 PolarHBondContact O-N 3.06Å; I332-C335 WeakPolarHBondContact O-CB 3.18Å; I332-C335 PolarHBondContact O-N 3.04Å; I332-P352 HydrophobicContact CG2-CG 3.78Å; I332-C358 PolarHBondContact O-SG 2.94Å |
| 333 | G | 96.6 | Very high | 97 | Very high | 4 Ų | 4 | 33 Ų | 33 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -66.5 | -9.5 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | S330 E331 E354 N357 | S330-G333 PolarHBondContact O-N 3.36Å; S330-G333 VanDerWaalsContact O-N 3.17Å; E331-G333 PolarHBondContact O-N 3.12Å; E331-G333 VanDerWaalsContact O-N 3.1Å; G333-E354 WeakPolarHBondContact CA-O 3.41Å; G333-N357 VanDerWaalsContact O-CB 3.24Å; G333-N357 WeakPolarHBondContact O-CB 3.45Å |
| 334 | Q | 96.9 | Very high | 96.9 | Very high | 101 Ų | 101 | 35 Ų | 35 | 47% | 0.472 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -87.9 | -14 | 175.9 | -56.7 | -179.1 | 32.4 | 0 | 0 | 112.4 | G310 E331 I332 T336 | G310-Q334 CarbonylContact O-C 3.42Å; G310-Q334 WeakPolarHBondContact O-CB 3.42Å; E331-Q334 VanDerWaalsContact O-CB 3.25Å; E331-Q334 WeakPolarHBondContact O-CB 3.3Å; E331-Q334 WeakPolarHBondContact O-CG 3.05Å; E331-Q334 PolarHBondContact O-N 3.23Å; I332-Q334 PolarHBondContact O-N 3.06Å; Q334-T336 PolarHBondContact O-N 2.75Å |
| 335 | C | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -71.2 | 64.7 | 170.9 | -56.3 | 0 | 0 | 0 | 0 | 110.7 | I309 M315 I332 S337 L338 | I309-C335 PolarHBondContact O-SG 3.17Å; M315-C335 HydrophobicContact CE-CB 4.36Å; I332-C335 WeakPolarHBondContact O-CB 3.18Å; I332-C335 PolarHBondContact O-N 3.04Å; C335-S337 PolarHBondContact O-N 3.07Å; C335-L338 HydrophobicContact CB-CB 4.02Å; C335-L338 WeakPolarHBondContact O-CB 3.32Å; C335-L338 PolarHBondContact O-N 3.06Å | ||
| 336 | T | 93.5 | Very high | 96.8 | Very high | 71 Ų | 71 | 34.5 Ų | 34.5 | 44% | 0.436 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -15.4 | -170.1 | 57.6 | 0 | 0 | 0 | 0 | 114.5 | Q334 | Q334-T336 PolarHBondContact O-N 2.75Š|
| 337 | S | 95.7 | Very high | 96.8 | Very high | 17 Ų | 17 | 33.2 Ų | 33.2 | 12% | 0.119 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -11.5 | 171.9 | -63 | 0 | 0 | 0 | 0 | 114.7 | V313 M315 F316 C335 N339 R360 | V313-S337 WeakPolarHBondContact O-CB 3.48Å; V313-S337 PolarHBondContact O-OG 3.4Å; M315-S337 CarbonylContact O-C 3.1Å; M315-S337 VanDerWaalsContact O-C 3.27Å; F316-S337 WeakPolarHBondContact CB-O 3.36Å; C335-S337 PolarHBondContact O-N 3.07Å; S337-N339 PolarHBondContact O-N 3.1Å; S337-R360 PolarHBondContact OG-NH1 3.02Å; S337-R360 VanDerWaalsContact OG-NH1 3.08Å |
| 338 | L | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | trans | -57.7 | 123.6 | -171.7 | -164.4 | 70.2 | 0 | 0 | 0 | 111.4 | M315 L318 C335 L341 C358 R360 L361 | M315-L338 HydrophobicContact CE-CD1 4.37Å; M315-L338 HydrophobicContact CG-CD1 4.42Å; M315-L338 VanDerWaalsContact O-CA 3.32Å; M315-L338 WeakPolarHBondContact O-CA 3.44Å; M315-L338 PolarHBondContact O-N 3.31Å; M315-L338 VanDerWaalsContact O-N 3.07Å; L318-L338 HydrophobicContact CB-CD1 3.9Å; C335-L338 HydrophobicContact CB-CB 4.02Å; C335-L338 WeakPolarHBondContact O-CB 3.32Å; C335-L338 PolarHBondContact O-N 3.06Å; L338-L341 HydrophobicContact CD2-CB 4.04Å; L338-L341 HydrophobicContact CD2-CD1 4.38Å; L338-L341 HydrophobicContact CD2-CD2 3.99Å; L338-L341 HydrophobicContact CD2-CG 4.37Å; L338-L341 HydrophobicContact CG-CB 4.49Å; L338-C358 HydrophobicContact CB-CB 4.46Å; L338-R360 CarbonylContact O-C 3.42Å; L338-L361 HydrophobicContact CD2-CD1 4.25Å; L338-L361 HydrophobicContact CG-CD1 4.11Å; L338-L361 WeakPolarHBondContact O-CA 3.09Å; L338-L361 PolarHBondContact O-N 3.25Å | ||
| 339 | N | 95.2 | Very high | 96.7 | Very high | 30 Ų | 30 | 32.1 Ų | 32.1 | 16% | 0.16 | 17% | 0.169 | C | C | . | . | trans | -118.4 | -43.5 | -173.3 | -168.5 | -42.3 | 0 | 0 | 0 | 110.8 | F316 S337 R362 V363 | F316-N339 HydrophobicContact CB-CB 4.26Å; F316-N339 HydrophobicContact CD2-CB 4.45Å; F316-N339 WeakPolarHBondContact O-CA 3.18Å; F316-N339 WeakPolarHBondContact O-CB 3.16Å; F316-N339 PolarHBondContact O-N 2.97Å; S337-N339 PolarHBondContact O-N 3.1Å; N339-R362 PolarHBondContact O-N 2.85Å; N339-R362 WeakPolarHBondContact OD1-CB 3.14Å; N339-R362 WeakPolarHBondContact OD1-CG 3.07Å; N339-V363 PolarHBondContact O-N 3.3Å | ||
| 340 | I | 97.2 | Very high | 96.6 | Very high | 45 Ų | 45 | 38.9 Ų | 38.9 | 23% | 0.231 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 123 | 176.2 | -54.8 | 175.2 | 0 | 0 | 0 | 108.5 | F316 H317 L318 V363 | F316-I340 PolarHBondContact O-N 3.1Å; H317-I340 WeakPolarHBondContact CA-O 3.16Å; L318-I340 PolarHBondContact N-O 3.16Å; I340-V363 HydrophobicContact CB-CB 4.41Å; I340-V363 HydrophobicContact CG1-CB 4.19Å; I340-V363 HydrophobicContact CG1-CG2 4.41Å; I340-V363 HydrophobicContact CG2-CB 4.17Å; I340-V363 HydrophobicContact CG2-CG1 4.17Å |
| 341 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 115.3 | 172.2 | 178.4 | 55.7 | 0 | 0 | 0 | 109.1 | L318 L338 L343 I355 L361 V363 L364 D365 | L318-L341 HydrophobicContact CB-CD1 4.02Å; L318-L341 HydrophobicContact CD2-CD1 3.83Å; L318-L341 HydrophobicContact CG-CD1 3.98Å; L318-L341 WeakPolarHBondContact O-CA 3.42Å; L338-L341 HydrophobicContact CD2-CB 4.04Å; L338-L341 HydrophobicContact CD2-CD1 4.38Å; L338-L341 HydrophobicContact CD2-CD2 3.99Å; L338-L341 HydrophobicContact CD2-CG 4.37Å; L338-L341 HydrophobicContact CG-CB 4.49Å; L341-L343 HydrophobicContact CD1-CD1 4.06Å; L341-L343 HydrophobicContact CD1-CD2 4.11Å; L341-L343 HydrophobicContact CD1-CG 3.9Å; L341-L343 HydrophobicContact CD2-CD1 3.89Å; L341-L343 HydrophobicContact CG-CD1 3.82Å; L341-L343 HydrophobicContact CG-CG 3.99Å; L341-I355 HydrophobicContact CD2-CD1 4.18Å; L341-L361 HydrophobicContact CB-CD1 3.78Å; L341-V363 PolarHBondContact N-O 3.1Å; L341-L364 HydrophobicContact CB-CD1 4.02Å; L341-L364 HydrophobicContact CD2-CD1 3.89Å; L341-L364 HydrophobicContact CG-CD1 3.91Å; L341-L364 WeakPolarHBondContact O-CA 3.13Å; L341-D365 PolarHBondContact O-N 3.41Å |
| 342 | S | 97.9 | Very high | 96.5 | Very high | 15 Ų | 15 | 34.7 Ų | 34.7 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 125.1 | 175.8 | -151.5 | 0 | 0 | 0 | 0 | 109.9 | L318 V320 D321 | L318-S342 PolarHBondContact O-N 3.17Å; V320-S342 PolarHBondContact N-O 2.85Å; D321-S342 WeakPolarHBondContact OD1-CB 3.4Å; D321-S342 PolarHBondContact OD1-OG 3.42Å; D321-S342 PolarHBondContact OD2-OG 3.19Å |
| 343 | L | 98 | Very high | 96.5 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -137.2 | 24.7 | -176.1 | -63.4 | 167.1 | 0 | 0 | 0 | 110.6 | V320 D321 L325 L328 L341 N346 L348 D365 V366 N369 | V320-L343 HydrophobicContact CB-CD2 4.14Å; V320-L343 HydrophobicContact CG2-CD2 4.33Å; D321-L343 PolarHBondContact OD1-N 3.2Å; L325-L343 HydrophobicContact CD1-CD2 3.97Å; L328-L343 HydrophobicContact CD1-CD1 3.6Å; L328-L343 HydrophobicContact CD2-CD1 4.02Å; L328-L343 HydrophobicContact CD2-CD2 3.9Å; L328-L343 HydrophobicContact CG-CD1 4.33Å; L341-L343 HydrophobicContact CD1-CD1 4.06Å; L341-L343 HydrophobicContact CD1-CD2 4.11Å; L341-L343 HydrophobicContact CD1-CG 3.9Å; L341-L343 HydrophobicContact CD2-CD1 3.89Å; L341-L343 HydrophobicContact CG-CD1 3.82Å; L341-L343 HydrophobicContact CG-CG 3.99Å; L343-N346 PolarHBondContact O-ND2 3.12Å; L343-L348 HydrophobicContact CB-CD1 4.07Å; L343-L348 HydrophobicContact CD1-CD1 3.91Å; L343-L348 HydrophobicContact CG-CD1 4.45Å; L343-D365 PolarHBondContact N-O 3.18Å; L343-V366 HydrophobicContact CB-CG1 4.23Å; L343-V366 HydrophobicContact CD1-CG1 4.17Å; L343-N369 PolarHBondContact O-ND2 3.19Å | ||
| 344 | R | 95.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 42 Ų | 42 | 19% | 0.189 | 20% | 0.204 | C | C | . | . | trans | -58 | 144.1 | -176.8 | 171.5 | 171 | 169.2 | 151 | 1.9 | 110.4 | D321 Q322 N346 S367 E799 | D321-R344 CarbonylContact C-O 3.07Å; D321-R344 VanDerWaalsContact CA-O 3.24Å; D321-R344 WeakPolarHBondContact CA-O 3.42Å; D321-R344 HydrophobicContact CB-CB 4.24Å; D321-R344 WeakPolarHBondContact OD1-CB 3.42Å; D321-R344 PolarHBondContact OD1-N 3.02Å; Q322-R344 PolarHBondContact N-O 2.85Å; R344-N346 PolarHBondContact O-ND2 2.92Å; R344-N346 VanDerWaalsContact O-ND2 3.14Å; R344-S367 CarbonylContact C-O 3.3Å; R344-S367 VanDerWaalsContact CA-O 3.3Å; R344-S367 WeakPolarHBondContact CA-O 3.05Å; R344-S367 WeakPolarHBondContact CG-OG 3.47Å; R344-E799 PolarHBondContact NH1-O 3.18Å | ||
| 345 | E | 95.9 | Very high | 96.5 | Very high | 63 Ų | 63 | 37.2 Ų | 37.2 | 29% | 0.294 | 18% | 0.181 | S | C | . | . | S | Bend | trans | 54.4 | 59.8 | 174.4 | -69.4 | 164.7 | -133.7 | 0 | 0 | 112.6 | Q322 N323 S367 Q390 | Q322-E345 VanDerWaalsContact CA-O 3.31Å; Q322-E345 WeakPolarHBondContact CA-O 3.29Å; Q322-E345 HydrophobicContact CG-CB 4.05Å; N323-E345 PolarHBondContact N-O 2.87Å; E345-S367 PolarHBondContact N-O 3Å; E345-Q390 PolarHBondContact OE1-NE2 2.73Å |
| 346 | N | 97.3 | Very high | 96.5 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -126.9 | -173.7 | 173.6 | -87.5 | -90.5 | 0 | 0 | 0 | 109.9 | V320 N323 Q324 L325 L343 R344 L348 G368 N369 | V320-N346 PolarHBondContact O-ND2 3.18Å; N323-N346 WeakPolarHBondContact CA-OD1 3.36Å; N323-N346 WeakPolarHBondContact CB-OD1 2.67Å; N323-N346 PolarHBondContact O-OD1 3.15Å; Q324-N346 PolarHBondContact N-OD1 2.85Å; L325-N346 HydrophobicContact CB-CB 4.31Å; L325-N346 VanDerWaalsContact CB-OD1 3.24Å; L325-N346 WeakPolarHBondContact CB-OD1 3.39Å; L325-N346 VanDerWaalsContact CG-OD1 3.24Å; L325-N346 WeakPolarHBondContact CG-OD1 3.36Å; L325-N346 PolarHBondContact N-OD1 3.11Å; L343-N346 PolarHBondContact O-ND2 3.12Å; R344-N346 PolarHBondContact O-ND2 2.92Å; R344-N346 VanDerWaalsContact O-ND2 3.14Å; N346-L348 HydrophobicContact CB-CG 4.35Å; N346-G368 VanDerWaalsContact O-O 3.14Å; N346-N369 WeakPolarHBondContact CA-OD1 3.14Å; N346-N369 WeakPolarHBondContact CB-OD1 3.44Å; N346-N369 PolarHBondContact O-OD1 3.37Å |
| 347 | N | 96.6 | Very high | 96.7 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 26% | 0.262 | 18% | 0.178 | S | C | . | . | trans | -110 | 27.8 | -179.9 | -70.6 | -74.9 | 0 | 0 | 0 | 113.2 | L325 T326 H349 R370 | L325-N347 CarbonylContact O-C 3.13Å; L325-N347 VanDerWaalsContact O-CA 3.23Å; L325-N347 WeakPolarHBondContact O-CA 3.48Å; L325-N347 PolarHBondContact O-N 3.27Å; T326-N347 HydrophobicContact CG2-CB 4.26Å; N347-H349 PolarHBondContact O-CD2 2.84Å; N347-H349 PolarHBondContact O-N 2.97Å; N347-R370 PolarHBondContact OD1-NE 3.04Å; N347-R370 PolarHBondContact OD1-NH2 3.2Å | ||
| 348 | L | 97 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -67.3 | 124.8 | -175.6 | -59.9 | 172.1 | 0 | 0 | 0 | 111.2 | L325 L328 L343 N346 L351 N369 R370 L371 | L325-L348 HydrophobicContact CB-CD2 3.91Å; L325-L348 HydrophobicContact CB-CG 4.48Å; L325-L348 PolarHBondContact O-N 2.9Å; L325-L348 VanDerWaalsContact O-N 3.15Å; L328-L348 HydrophobicContact CD2-CD1 4.37Å; L328-L348 HydrophobicContact CD2-CD2 4.23Å; L328-L348 HydrophobicContact CG-CD1 4.29Å; L328-L348 HydrophobicContact CG-CD2 4.08Å; L343-L348 HydrophobicContact CB-CD1 4.07Å; L343-L348 HydrophobicContact CD1-CD1 3.91Å; L343-L348 HydrophobicContact CG-CD1 4.45Å; N346-L348 HydrophobicContact CB-CG 4.35Å; L348-L351 HydrophobicContact CD1-CD2 4.13Å; L348-N369 HydrophobicContact CB-CB 4.27Å; L348-N369 WeakPolarHBondContact CB-OD1 3.21Å; L348-N369 VanDerWaalsContact CG-OD1 3.26Å; L348-N369 WeakPolarHBondContact CG-OD1 3.46Å; L348-N369 PolarHBondContact N-OD1 3.17Å; L348-R370 CarbonylContact O-C 3.32Å; L348-R370 WeakPolarHBondContact O-CA 3.49Å; L348-R370 PolarHBondContact O-N 2.99Å; L348-L371 HydrophobicContact CB-CD2 4.01Å; L348-L371 WeakPolarHBondContact O-CD2 3.49Å; L348-L371 PolarHBondContact O-N 2.96Å | ||
| 349 | H | 94.6 | Very high | 96.5 | Very high | 88 Ų | 88 | 40 Ų | 40 | 41% | 0.407 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -91.4 | -23.4 | 175.4 | -69.6 | -73.5 | 0 | 0 | 0 | 113.9 | N347 R370 L371 D372 | N347-H349 PolarHBondContact O-CD2 2.84Å; N347-H349 PolarHBondContact O-N 2.97Å; H349-R370 WeakPolarHBondContact CA-O 3.28Å; H349-R370 VanDerWaalsContact CE1-CD 3.48Å; H349-R370 WeakPolarHBondContact CE1-CD 3.32Å; H349-L371 WeakPolarHBondContact O-CA 3.31Å; H349-D372 PolarHBondContact O-N 3.08Å |
| 350 | R | 95.4 | Very high | 96.5 | Very high | 162 Ų | 162 | 43.2 Ų | 43.2 | 61% | 0.611 | 21% | 0.205 | S | C | * | . | trans | -154.1 | 160 | 177.9 | 61.9 | -179.9 | -179.6 | 168.8 | 2.5 | 109.9 | E327 | E327-R350 IonicContact OE2-NH2 3.83Š| ||
| 351 | L | 97.5 | Very high | 96.5 | Very high | 8 Ų | 8 | 41.1 Ų | 41.1 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | trans | -102 | 145.7 | 164.2 | -55.2 | 176.7 | 0 | 0 | 0 | 109.1 | L328 L348 I355 L364 V366 L371 L374 P375 | L328-L351 HydrophobicContact CD1-CD2 3.86Å; L348-L351 HydrophobicContact CD1-CD2 4.13Å; L351-I355 HydrophobicContact CB-CD1 4.4Å; L351-I355 HydrophobicContact CD1-CD1 4.07Å; L351-L364 HydrophobicContact CD1-CD2 4.05Å; L351-V366 HydrophobicContact CD1-CG1 4.32Å; L351-V366 HydrophobicContact CD2-CG1 4.2Å; L351-L371 HydrophobicContact CD1-CD1 4.47Å; L351-L371 HydrophobicContact CD2-CD2 4.23Å; L351-L371 HydrophobicContact CG-CD1 4.35Å; L351-L371 HydrophobicContact CG-CD2 4.1Å; L351-L374 HydrophobicContact CD1-CD2 3.72Å; L351-P375 HydrophobicContact CB-CG 4.09Å | ||
| 352 | P | 97.2 | Very high | 96.4 | Very high | 18 Ų | 18 | 43.2 Ų | 43.2 | 12% | 0.117 | 20% | 0.202 | C | C | . | . | trans | -68.5 | 147.4 | 178.4 | 28.1 | -34.2 | 0 | 0 | 0 | 111.3 | L328 I332 E354 I355 | L328-P352 HydrophobicContact CB-CG 4.13Å; I332-P352 HydrophobicContact CG2-CG 3.78Å; P352-E354 PolarHBondContact O-N 3.14Å; P352-I355 WeakPolarHBondContact O-CB 3.32Å; P352-I355 WeakPolarHBondContact O-CG2 3.35Å; P352-I355 PolarHBondContact O-N 3.49Å | ||
| 353 | D | 96.1 | Very high | 96.3 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 43% | 0.428 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -59.8 | -28.6 | 177.6 | -94.7 | -28 | 0 | 0 | 0 | 112.1 | I355 G356 P375 S377 | D353-I355 PolarHBondContact O-N 3.42Å; D353-G356 PolarHBondContact O-N 3.12Å; D353-P375 WeakPolarHBondContact OD1-CB 3.26Å; D353-S377 WeakPolarHBondContact O-CB 3.39Å; D353-S377 PolarHBondContact O-OG 2.72Å |
| 354 | E | 97.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 44.2 Ų | 44.2 | 37% | 0.369 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -64.3 | -17.3 | 177.5 | -67.7 | 71.5 | -156 | 0 | 0 | 113.4 | S330 G333 P352 G356 N357 | S330-E354 WeakPolarHBondContact O-CB 3.39Å; G333-E354 WeakPolarHBondContact CA-O 3.41Å; P352-E354 PolarHBondContact O-N 3.14Å; E354-G356 PolarHBondContact O-N 3.42Å; E354-G356 VanDerWaalsContact O-N 3.1Å; E354-N357 WeakPolarHBondContact O-CB 3.39Å; E354-N357 PolarHBondContact O-N 2.72Å; E354-N357 PolarHBondContact O-ND2 3.18Å |
| 355 | I | 97.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.2 | C | C | . | . | G | 310 helix | trans | -57.9 | -27.9 | 176.6 | -157.7 | 173.5 | 0 | 0 | 0 | 112.4 | L341 L351 P352 D353 N357 C358 L361 L364 P375 L378 | L341-I355 HydrophobicContact CD2-CD1 4.18Å; L351-I355 HydrophobicContact CB-CD1 4.4Å; L351-I355 HydrophobicContact CD1-CD1 4.07Å; P352-I355 WeakPolarHBondContact O-CB 3.32Å; P352-I355 WeakPolarHBondContact O-CG2 3.35Å; P352-I355 PolarHBondContact O-N 3.49Å; D353-I355 PolarHBondContact O-N 3.42Å; I355-N357 PolarHBondContact O-N 3Å; I355-C358 WeakPolarHBondContact O-CB 3.13Å; I355-C358 PolarHBondContact O-N 3.48Å; I355-C358 VanDerWaalsContact O-N 3.13Å; I355-L361 HydrophobicContact CG1-CD2 4.49Å; I355-L364 HydrophobicContact CD1-CD2 4.27Å; I355-P375 HydrophobicContact CG2-CG 3.76Å; I355-L378 HydrophobicContact CG2-CD1 4.09Å |
| 356 | G | 95.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | G | 310 helix | trans | -68.8 | -4.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D353 E354 S377 R380 | D353-G356 PolarHBondContact O-N 3.12Å; E354-G356 PolarHBondContact O-N 3.42Å; E354-G356 VanDerWaalsContact O-N 3.1Å; G356-S377 VanDerWaalsContact CA-O 3.28Å; G356-S377 WeakPolarHBondContact CA-O 3.47Å; G356-R380 WeakPolarHBondContact O-CB 3.31Å; G356-R380 VanDerWaalsContact O-CD 3.31Å; G356-R380 WeakPolarHBondContact O-CD 3.29Å |
| 357 | N | 96.5 | Very high | 96.3 | Very high | 69 Ų | 69 | 39 Ų | 39 | 37% | 0.369 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -85.7 | -18.1 | 171.9 | -60 | -24.9 | 0 | 0 | 0 | 112 | G333 E354 I355 T359 R380 | G333-N357 VanDerWaalsContact O-CB 3.24Å; G333-N357 WeakPolarHBondContact O-CB 3.45Å; E354-N357 WeakPolarHBondContact O-CB 3.39Å; E354-N357 PolarHBondContact O-N 2.72Å; E354-N357 PolarHBondContact O-ND2 3.18Å; I355-N357 PolarHBondContact O-N 3Å; N357-T359 PolarHBondContact O-N 3.07Å; N357-R380 PolarHBondContact OD1-NH1 3.01Å |
| 358 | C | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.192 | C | C | . | . | trans | -73.4 | 61.4 | 171.2 | -59.7 | 0 | 0 | 0 | 0 | 110.8 | I332 L338 I355 R360 L361 C381 | I332-C358 PolarHBondContact O-SG 2.94Å; L338-C358 HydrophobicContact CB-CB 4.46Å; I355-C358 WeakPolarHBondContact O-CB 3.13Å; I355-C358 PolarHBondContact O-N 3.48Å; I355-C358 VanDerWaalsContact O-N 3.13Å; C358-R360 PolarHBondContact O-N 2.89Å; C358-L361 HydrophobicContact CB-CB 4.15Å; C358-L361 WeakPolarHBondContact O-CB 3.49Å; C358-L361 PolarHBondContact O-N 3.24Å; C358-C381 PolarHBondContact O-SG 3.39Å; C358-C381 VanDerWaalsContact O-SG 3.34Å | ||
| 359 | T | 93.8 | Very high | 96.1 | Very high | 78 Ų | 78 | 39 Ų | 39 | 48% | 0.479 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -17.6 | -172.5 | 57.9 | 0 | 0 | 0 | 0 | 114.6 | N357 R362 | N357-T359 PolarHBondContact O-N 3.07Å; T359-R362 PolarHBondContact O-NH1 2.81Å |
| 360 | R | 95.1 | Very high | 96.1 | Very high | 98 Ų | 98 | 39 Ų | 39 | 37% | 0.37 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -9.1 | 171.4 | -68.8 | -166.2 | -174 | 151 | -1 | 114.3 | S337 L338 C358 R362 | S337-R360 PolarHBondContact OG-NH1 3.02Å; S337-R360 VanDerWaalsContact OG-NH1 3.08Å; L338-R360 CarbonylContact O-C 3.42Å; C358-R360 PolarHBondContact O-N 2.89Å; R360-R362 WeakPolarHBondContact O-CG 3.47Å; R360-R362 PolarHBondContact O-N 2.95Å; R360-R362 PolarHBondContact O-NH1 2.98Å |
| 361 | L | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | trans | -59.9 | 127.4 | -179.4 | -166.3 | 70.3 | 0 | 0 | 0 | 109.7 | L338 L341 I355 C358 L364 C381 L383 | L338-L361 HydrophobicContact CD2-CD1 4.25Å; L338-L361 HydrophobicContact CG-CD1 4.11Å; L338-L361 WeakPolarHBondContact O-CA 3.09Å; L338-L361 PolarHBondContact O-N 3.25Å; L341-L361 HydrophobicContact CB-CD1 3.78Å; I355-L361 HydrophobicContact CG1-CD2 4.49Å; C358-L361 HydrophobicContact CB-CB 4.15Å; C358-L361 WeakPolarHBondContact O-CB 3.49Å; C358-L361 PolarHBondContact O-N 3.24Å; L361-L364 HydrophobicContact CD2-CB 4.33Å; L361-L364 HydrophobicContact CD2-CD2 4.42Å; L361-C381 HydrophobicContact CB-CB 4.26Å; L361-L383 HydrophobicContact CB-CD2 4.28Å; L361-L383 HydrophobicContact CD2-CD2 4.03Å; L361-L383 HydrophobicContact CG-CD2 3.83Å | ||
| 362 | R | 95.9 | Very high | 95.9 | Very high | 46 Ų | 46 | 35.6 Ų | 35.6 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | trans | -121.3 | -36.9 | 179.1 | -60.7 | -56.1 | 170.5 | -110.9 | 2.8 | 111.5 | N339 T359 R360 S382 L383 T384 A385 | N339-R362 PolarHBondContact O-N 2.85Å; N339-R362 WeakPolarHBondContact OD1-CB 3.14Å; N339-R362 WeakPolarHBondContact OD1-CG 3.07Å; T359-R362 PolarHBondContact O-NH1 2.81Å; R360-R362 WeakPolarHBondContact O-CG 3.47Å; R360-R362 PolarHBondContact O-N 2.95Å; R360-R362 PolarHBondContact O-NH1 2.98Å; R362-S382 WeakPolarHBondContact CD-O 3.23Å; R362-L383 CarbonylContact O-C 3.3Å; R362-L383 WeakPolarHBondContact O-CA 3.26Å; R362-T384 HydrophobicContact CB-CG2 4.46Å; R362-T384 PolarHBondContact O-N 3.29Å; R362-T384 PolarHBondContact O-OG1 3.38Å; R362-A385 PolarHBondContact O-N 2.74Å | ||
| 363 | V | 96.3 | Very high | 95.8 | Very high | 36 Ų | 36 | 38.1 Ų | 38.1 | 22% | 0.218 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 125.2 | 179.3 | 178.4 | 0 | 0 | 0 | 0 | 109.3 | N339 I340 L341 A385 W387 | N339-V363 PolarHBondContact O-N 3.3Å; I340-V363 HydrophobicContact CB-CB 4.41Å; I340-V363 HydrophobicContact CG1-CB 4.19Å; I340-V363 HydrophobicContact CG1-CG2 4.41Å; I340-V363 HydrophobicContact CG2-CB 4.17Å; I340-V363 HydrophobicContact CG2-CG1 4.17Å; L341-V363 PolarHBondContact N-O 3.1Å; V363-A385 HydrophobicContact CG1-CB 4.41Å; V363-A385 HydrophobicContact CG2-CB 4.3Å; V363-W387 HydrophobicContact CG1-CE3 4.33Å; V363-W387 HydrophobicContact CG1-CZ3 3.75Å |
| 364 | L | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 112.7 | 171.9 | 179.1 | 57.9 | 0 | 0 | 0 | 109.2 | L341 L351 I355 L361 V366 L378 L383 A385 L386 W387 | L341-L364 HydrophobicContact CB-CD1 4.02Å; L341-L364 HydrophobicContact CD2-CD1 3.89Å; L341-L364 HydrophobicContact CG-CD1 3.91Å; L341-L364 WeakPolarHBondContact O-CA 3.13Å; L351-L364 HydrophobicContact CD1-CD2 4.05Å; I355-L364 HydrophobicContact CD1-CD2 4.27Å; L361-L364 HydrophobicContact CD2-CB 4.33Å; L361-L364 HydrophobicContact CD2-CD2 4.42Å; L364-V366 HydrophobicContact CD1-CG1 3.78Å; L364-V366 HydrophobicContact CG-CG1 4.05Å; L364-L378 HydrophobicContact CD2-CD1 3.96Å; L364-L378 HydrophobicContact CD2-CD2 4.23Å; L364-L383 HydrophobicContact CB-CD1 4.48Å; L364-L383 HydrophobicContact CB-CD2 4.28Å; L364-A385 PolarHBondContact N-O 3.3Å; L364-A385 VanDerWaalsContact N-O 3.07Å; L364-L386 HydrophobicContact CB-CD1 4.08Å; L364-L386 HydrophobicContact CD2-CD1 3.91Å; L364-L386 HydrophobicContact CG-CD1 4.01Å; L364-L386 CarbonylContact O-C 3.55Å; L364-L386 VanDerWaalsContact O-CA 3.26Å; L364-L386 WeakPolarHBondContact O-CA 3.33Å; L364-W387 PolarHBondContact O-N 3.37Å |
| 365 | D | 96.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 31 Ų | 31 | 4% | 0.043 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 121.2 | 167.6 | -165.3 | -16.8 | 0 | 0 | 0 | 109.4 | L341 L343 S367 W387 | L341-D365 PolarHBondContact O-N 3.41Å; L343-D365 PolarHBondContact N-O 3.18Å; D365-S367 WeakPolarHBondContact OD1-CB 3.42Å; D365-S367 PolarHBondContact OD1-N 3.02Å; D365-S367 PolarHBondContact OD1-OG 3.24Å; D365-W387 HydrophobicContact CB-CB 4.23Å; D365-W387 HydrophobicContact CB-CE3 4.32Å; D365-W387 WeakPolarHBondContact OD1-CB 3.43Å |
| 366 | V | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.171 | C | C | . | . | trans | -133.1 | 23.6 | 174.5 | -67 | 0 | 0 | 0 | 0 | 110.1 | L343 L351 L364 N369 L371 W387 L388 Q419 | L343-V366 HydrophobicContact CB-CG1 4.23Å; L343-V366 HydrophobicContact CD1-CG1 4.17Å; L351-V366 HydrophobicContact CD1-CG1 4.32Å; L351-V366 HydrophobicContact CD2-CG1 4.2Å; L364-V366 HydrophobicContact CD1-CG1 3.78Å; L364-V366 HydrophobicContact CG-CG1 4.05Å; V366-N369 WeakPolarHBondContact O-CB 3.48Å; V366-N369 PolarHBondContact O-ND2 3.04Å; V366-N369 VanDerWaalsContact O-ND2 3.11Å; V366-L371 HydrophobicContact CB-CD1 3.81Å; V366-L371 HydrophobicContact CG1-CD1 4.41Å; V366-L371 HydrophobicContact CG2-CD1 3.58Å; V366-W387 CarbonylContact C-O 3.38Å; V366-W387 WeakPolarHBondContact CG2-O 3.41Å; V366-W387 PolarHBondContact N-O 3.14Å; V366-L388 HydrophobicContact CG2-CD2 3.74Å; V366-Q419 PolarHBondContact O-NE2 2.92Å | ||
| 367 | S | 94.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 150.2 | 174.4 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | R344 E345 D365 N369 W387 S389 | R344-S367 CarbonylContact C-O 3.3Å; R344-S367 VanDerWaalsContact CA-O 3.3Å; R344-S367 WeakPolarHBondContact CA-O 3.05Å; R344-S367 WeakPolarHBondContact CG-OG 3.47Å; E345-S367 PolarHBondContact N-O 3Å; D365-S367 WeakPolarHBondContact OD1-CB 3.42Å; D365-S367 PolarHBondContact OD1-N 3.02Å; D365-S367 PolarHBondContact OD1-OG 3.24Å; S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.5Å; S367-N369 PolarHBondContact O-ND2 3.33Å; S367-W387 PolarHBondContact N-O 3.5Å; S367-S389 VanDerWaalsContact CB-C 3.46Å |
| 368 | G | 93.5 | Very high | 95.6 | Very high | 39 Ų | 39 | 31.5 Ų | 31.5 | 40% | 0.402 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66 | 24 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | N346 | N346-G368 VanDerWaalsContact O-O 3.14Š|
| 369 | N | 96.1 | Very high | 95.4 | Very high | 10 Ų | 10 | 34.9 Ų | 34.9 | 5% | 0.053 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -101.2 | -166.7 | 171.4 | -79.1 | -90.8 | 0 | 0 | 0 | 111.5 | L343 N346 L348 V366 S367 L371 Q419 | L343-N369 PolarHBondContact O-ND2 3.19Å; N346-N369 WeakPolarHBondContact CA-OD1 3.14Å; N346-N369 WeakPolarHBondContact CB-OD1 3.44Å; N346-N369 PolarHBondContact O-OD1 3.37Å; L348-N369 HydrophobicContact CB-CB 4.27Å; L348-N369 WeakPolarHBondContact CB-OD1 3.21Å; L348-N369 VanDerWaalsContact CG-OD1 3.26Å; L348-N369 WeakPolarHBondContact CG-OD1 3.46Å; L348-N369 PolarHBondContact N-OD1 3.17Å; V366-N369 WeakPolarHBondContact O-CB 3.48Å; V366-N369 PolarHBondContact O-ND2 3.04Å; V366-N369 VanDerWaalsContact O-ND2 3.11Å; S367-N369 VanDerWaalsContact C-N 3.28Å; S367-N369 PolarHBondContact O-N 3.5Å; S367-N369 PolarHBondContact O-ND2 3.33Å; N369-L371 HydrophobicContact CB-CG 4.21Å; N369-Q419 VanDerWaalsContact CB-OE1 3.23Å; N369-Q419 WeakPolarHBondContact O-CB 3.47Å; N369-Q419 PolarHBondContact O-OE1 3.08Å |
| 370 | R | 94.9 | Very high | 95.5 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 34% | 0.336 | 19% | 0.185 | S | C | . | . | trans | -122.4 | 32.7 | -178.4 | -56.3 | 178.4 | -174.9 | -106.9 | 1.6 | 111.8 | N347 L348 H349 D372 | N347-R370 PolarHBondContact OD1-NE 3.04Å; N347-R370 PolarHBondContact OD1-NH2 3.2Å; L348-R370 CarbonylContact O-C 3.32Å; L348-R370 WeakPolarHBondContact O-CA 3.49Å; L348-R370 PolarHBondContact O-N 2.99Å; H349-R370 WeakPolarHBondContact CA-O 3.28Å; H349-R370 VanDerWaalsContact CE1-CD 3.48Å; H349-R370 WeakPolarHBondContact CE1-CD 3.32Å; R370-D372 PolarHBondContact O-N 2.82Å | ||
| 371 | L | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.17 | C | C | . | . | trans | -68.7 | 121.2 | -173 | -63.2 | 176.3 | 0 | 0 | 0 | 111.8 | L348 H349 L351 V366 N369 L374 L417 P418 Q419 | L348-L371 HydrophobicContact CB-CD2 4.01Å; L348-L371 WeakPolarHBondContact O-CD2 3.49Å; L348-L371 PolarHBondContact O-N 2.96Å; H349-L371 WeakPolarHBondContact O-CA 3.31Å; L351-L371 HydrophobicContact CD1-CD1 4.47Å; L351-L371 HydrophobicContact CD2-CD2 4.23Å; L351-L371 HydrophobicContact CG-CD1 4.35Å; L351-L371 HydrophobicContact CG-CD2 4.1Å; V366-L371 HydrophobicContact CB-CD1 3.81Å; V366-L371 HydrophobicContact CG1-CD1 4.41Å; V366-L371 HydrophobicContact CG2-CD1 3.58Å; N369-L371 HydrophobicContact CB-CG 4.21Å; L371-L374 HydrophobicContact CD1-CD2 4.09Å; L371-L417 HydrophobicContact CB-CD2 3.96Å; L371-L417 VanDerWaalsContact O-CD2 3.27Å; L371-L417 WeakPolarHBondContact O-CD2 2.92Å; L371-P418 CarbonylContact O-C 3.4Å; L371-P418 WeakPolarHBondContact O-CA 3.5Å; L371-Q419 HydrophobicContact CB-CG 4.41Å; L371-Q419 VanDerWaalsContact CB-OE1 3.25Å; L371-Q419 VanDerWaalsContact CG-OE1 3.31Å; L371-Q419 PolarHBondContact O-N 2.77Å | ||
| 372 | D | 92.8 | Very high | 95 | Very high | 98 Ų | 98 | 36.8 Ų | 36.8 | 52% | 0.524 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -75.2 | -37.6 | 174.3 | -70 | -42.8 | 0 | 0 | 0 | 112.3 | H349 R370 | H349-D372 PolarHBondContact O-N 3.08Å; R370-D372 PolarHBondContact O-N 2.82Å |
| 373 | R | 94.4 | Very high | 94.9 | Very high | 70 Ų | 70 | 36.2 Ų | 36.2 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | trans | -159.8 | 160.6 | -174.9 | 65.3 | -162.1 | -167.4 | -164.9 | 10.1 | 111 | D404 E409 Y411 | R373-D404 IonicContact CZ-OD2 3.53Å; R373-D404 IonicContact NH1-OD2 2.76Å; R373-D404 PolarHBondContact NH1-OD2 2.68Å; R373-D404 IonicContact NH2-OD2 3.34Å; R373-E409 IonicContact CZ-OE1 3.88Å; R373-E409 IonicContact NE-OE1 3.61Å; R373-E409 VanDerWaalsContact NH2-CD 3.33Å; R373-E409 IonicContact NH2-OE1 3.62Å; R373-E409 PolarHBondContact NH2-OE1 2.87Å; R373-E409 IonicContact NH2-OE2 3.02Å; R373-E409 PolarHBondContact NH2-OE2 2.91Å; R373-E409 VanDerWaalsContact NH2-OE2 3.07Å; R373-Y411 HydrophobicContact CB-CD2 3.89Å; R373-Y411 HydrophobicContact CB-CG 4.17Å; R373-Y411 HydrophobicContact CG-CG 4.33Å | ||
| 374 | L | 96.6 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 143.8 | 173.6 | -64.5 | 169 | 0 | 0 | 0 | 110.5 | L351 L371 L378 L386 L388 L399 Y411 L412 L417 | L351-L374 HydrophobicContact CD1-CD2 3.72Å; L371-L374 HydrophobicContact CD1-CD2 4.09Å; L374-L378 HydrophobicContact CB-CD2 4.3Å; L374-L378 HydrophobicContact CD1-CD2 4.11Å; L374-L378 HydrophobicContact CD2-CD2 4.27Å; L374-L378 HydrophobicContact CG-CD2 4.47Å; L374-L386 HydrophobicContact CD1-CD2 3.98Å; L374-L388 HydrophobicContact CD1-CD1 4.42Å; L374-L388 HydrophobicContact CD1-CD2 4.13Å; L374-L388 HydrophobicContact CD2-CD2 4.27Å; L374-L399 HydrophobicContact CD1-CD1 4.02Å; L374-L399 HydrophobicContact CD1-CD2 3.93Å; L374-Y411 WeakPolarHBondContact O-CB 3.27Å; L374-L412 HydrophobicContact CB-CB 3.99Å; L374-L412 PolarHBondContact N-O 3.49Å; L374-L412 PolarHBondContact O-N 2.77Å; L374-L417 HydrophobicContact CD1-CD1 3.87Å; L374-L417 HydrophobicContact CG-CD1 3.79Å |
| 375 | P | 96.5 | Very high | 94.4 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 5% | 0.052 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 140.5 | 178.5 | 26.9 | -34.1 | 0 | 0 | 0 | 111.1 | L351 D353 I355 S377 L378 | L351-P375 HydrophobicContact CB-CG 4.09Å; D353-P375 WeakPolarHBondContact OD1-CB 3.26Å; I355-P375 HydrophobicContact CG2-CG 3.76Å; P375-S377 PolarHBondContact O-N 3.29Å; P375-S377 VanDerWaalsContact O-N 3.16Å; P375-L378 VanDerWaalsContact O-CB 3.3Å; P375-L378 WeakPolarHBondContact O-CB 3.31Å; P375-L378 PolarHBondContact O-N 3.28Å; P375-L378 VanDerWaalsContact O-N 3.07Å |
| 376 | F | 95.5 | Very high | 94.4 | Very high | 68 Ų | 68 | 38.1 Ų | 38.1 | 30% | 0.298 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -62.7 | -24.9 | -179.8 | 175 | -105.3 | 0 | 0 | 0 | 113 | L378 S379 R401 Q410 L412 | F376-L378 PolarHBondContact O-N 2.9Å; F376-S379 WeakPolarHBondContact O-CB 3.5Å; F376-S379 PolarHBondContact O-N 3.05Å; F376-S379 VanDerWaalsContact O-N 3.14Å; F376-S379 PolarHBondContact O-OG 3.41Å; F376-R401 HydrophobicContact CD2-CG 4.23Å; F376-R401 HydrophobicContact CE2-CG 4.21Å; F376-Q410 HydrophobicContact CB-CB 3.84Å; F376-Q410 WeakPolarHBondContact CB-O 3.29Å; F376-Q410 HydrophobicContact CD1-CB 4.21Å; F376-Q410 HydrophobicContact CD2-CB 4.35Å; F376-Q410 HydrophobicContact CG-CB 3.87Å; F376-L412 HydrophobicContact CD2-CD2 4.28Å; F376-L412 HydrophobicContact CD2-CG 4.37Å |
| 377 | S | 95.8 | Very high | 94.2 | Very high | 9 Ų | 9 | 40.5 Ų | 40.5 | 6% | 0.063 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -58 | -26.6 | 174 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | D353 G356 P375 S379 R380 | D353-S377 WeakPolarHBondContact O-CB 3.39Å; D353-S377 PolarHBondContact O-OG 2.72Å; G356-S377 VanDerWaalsContact CA-O 3.28Å; G356-S377 WeakPolarHBondContact CA-O 3.47Å; P375-S377 PolarHBondContact O-N 3.29Å; P375-S377 VanDerWaalsContact O-N 3.16Å; S377-S379 PolarHBondContact O-N 2.99Å; S377-S379 VanDerWaalsContact O-N 3.09Å; S377-R380 VanDerWaalsContact O-CB 3.27Å; S377-R380 WeakPolarHBondContact O-CB 3.46Å; S377-R380 VanDerWaalsContact O-CG 3.3Å; S377-R380 WeakPolarHBondContact O-CG 3.37Å; S377-R380 PolarHBondContact O-N 2.96Å |
| 378 | L | 95.3 | Very high | 94.2 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -59.6 | -22.4 | 177.6 | -168.8 | 67.7 | 0 | 0 | 0 | 112.2 | I355 L364 L374 P375 F376 R380 C381 L383 L412 | I355-L378 HydrophobicContact CG2-CD1 4.09Å; L364-L378 HydrophobicContact CD2-CD1 3.96Å; L364-L378 HydrophobicContact CD2-CD2 4.23Å; L374-L378 HydrophobicContact CB-CD2 4.3Å; L374-L378 HydrophobicContact CD1-CD2 4.11Å; L374-L378 HydrophobicContact CD2-CD2 4.27Å; L374-L378 HydrophobicContact CG-CD2 4.47Å; P375-L378 VanDerWaalsContact O-CB 3.3Å; P375-L378 WeakPolarHBondContact O-CB 3.31Å; P375-L378 PolarHBondContact O-N 3.28Å; P375-L378 VanDerWaalsContact O-N 3.07Å; F376-L378 PolarHBondContact O-N 2.9Å; L378-R380 PolarHBondContact O-N 3.12Å; L378-R380 VanDerWaalsContact O-N 3.11Å; L378-C381 HydrophobicContact CD1-CB 4.37Å; L378-C381 WeakPolarHBondContact O-CB 3.43Å; L378-C381 PolarHBondContact O-N 2.96Å; L378-L383 HydrophobicContact CD1-CD1 4.17Å; L378-L383 HydrophobicContact CD2-CD1 4.2Å; L378-L383 HydrophobicContact CG-CD1 4.11Å; L378-L412 HydrophobicContact CB-CD1 4.26Å |
| 379 | S | 92.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 49% | 0.49 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -61 | -14.1 | 171.3 | 65.1 | 0 | 0 | 0 | 0 | 114.8 | F376 S377 | F376-S379 WeakPolarHBondContact O-CB 3.5Å; F376-S379 PolarHBondContact O-N 3.05Å; F376-S379 VanDerWaalsContact O-N 3.14Å; F376-S379 PolarHBondContact O-OG 3.41Å; S377-S379 PolarHBondContact O-N 2.99Å; S377-S379 VanDerWaalsContact O-N 3.09Å |
| 380 | R | 94.3 | Very high | 93.4 | Very high | 149 Ų | 149 | 43 Ų | 43 | 56% | 0.562 | 22% | 0.217 | S | C | * | . | G | 310 helix | trans | -78.9 | -22.4 | 171.9 | -60.4 | 173.8 | -173.2 | 168.5 | 6.2 | 112.5 | G356 N357 S377 L378 | G356-R380 WeakPolarHBondContact O-CB 3.31Å; G356-R380 VanDerWaalsContact O-CD 3.31Å; G356-R380 WeakPolarHBondContact O-CD 3.29Å; N357-R380 PolarHBondContact OD1-NH1 3.01Å; S377-R380 VanDerWaalsContact O-CB 3.27Å; S377-R380 WeakPolarHBondContact O-CB 3.46Å; S377-R380 VanDerWaalsContact O-CG 3.3Å; S377-R380 WeakPolarHBondContact O-CG 3.37Å; S377-R380 PolarHBondContact O-N 2.96Å; L378-R380 PolarHBondContact O-N 3.12Å; L378-R380 VanDerWaalsContact O-N 3.11Å |
| 381 | C | 93 | Very high | 92.5 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 7% | 0.068 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -84 | 121.7 | 177.2 | -58 | 0 | 0 | 0 | 0 | 109 | C358 L361 L378 L383 | C358-C381 PolarHBondContact O-SG 3.39Å; C358-C381 VanDerWaalsContact O-SG 3.34Å; L361-C381 HydrophobicContact CB-CB 4.26Å; L378-C381 HydrophobicContact CD1-CB 4.37Å; L378-C381 WeakPolarHBondContact O-CB 3.43Å; L378-C381 PolarHBondContact O-N 2.96Å; C381-L383 HydrophobicContact CB-CD2 4.06Å; C381-L383 HydrophobicContact CB-CG 4.08Å; C381-L383 PolarHBondContact O-N 3.33Å |
| 382 | S | 89.8 | Confident | 92 | Very high | 58 Ų | 58 | 42.9 Ų | 42.9 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | trans | -80.8 | 65.9 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 110.5 | R362 T384 | R362-S382 WeakPolarHBondContact CD-O 3.23Å; S382-T384 PolarHBondContact O-N 3.4Å | ||
| 383 | L | 93.3 | Very high | 91.3 | Very high | 34 Ų | 34 | 41.7 Ų | 41.7 | 18% | 0.178 | 22% | 0.222 | C | C | . | . | trans | -61.3 | 129.9 | -176.2 | -62.2 | 178.7 | 0 | 0 | 0 | 111.7 | L361 R362 L364 L378 C381 L386 | L361-L383 HydrophobicContact CB-CD2 4.28Å; L361-L383 HydrophobicContact CD2-CD2 4.03Å; L361-L383 HydrophobicContact CG-CD2 3.83Å; R362-L383 CarbonylContact O-C 3.3Å; R362-L383 WeakPolarHBondContact O-CA 3.26Å; L364-L383 HydrophobicContact CB-CD1 4.48Å; L364-L383 HydrophobicContact CB-CD2 4.28Å; L378-L383 HydrophobicContact CD1-CD1 4.17Å; L378-L383 HydrophobicContact CD2-CD1 4.2Å; L378-L383 HydrophobicContact CG-CD1 4.11Å; C381-L383 HydrophobicContact CB-CD2 4.06Å; C381-L383 HydrophobicContact CB-CG 4.08Å; C381-L383 PolarHBondContact O-N 3.33Å; L383-L386 HydrophobicContact CD1-CB 4.11Å; L383-L386 HydrophobicContact CD1-CD1 4.29Å; L383-L386 HydrophobicContact CD1-CD2 4.34Å; L383-L386 HydrophobicContact CD1-CG 4.48Å | ||
| 384 | T | 90.5 | Very high | 90.5 | Very high | 77 Ų | 77 | 43.5 Ų | 43.5 | 47% | 0.472 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -94 | -20.6 | 168.4 | 56.1 | 0 | 0 | 0 | 0 | 112.1 | R362 S382 V396 | R362-T384 HydrophobicContact CB-CG2 4.46Å; R362-T384 PolarHBondContact O-N 3.29Å; R362-T384 PolarHBondContact O-OG1 3.38Å; S382-T384 PolarHBondContact O-N 3.4Å; T384-V396 VanDerWaalsContact C-CG2 3.47Å; T384-V396 VanDerWaalsContact O-CG2 3.24Å; T384-V396 WeakPolarHBondContact O-CG2 3.37Å |
| 385 | A | 93.4 | Very high | 89.5 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 4% | 0.041 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 141.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R362 V363 L364 W387 P395 | R362-A385 PolarHBondContact O-N 2.74Å; V363-A385 HydrophobicContact CG1-CB 4.41Å; V363-A385 HydrophobicContact CG2-CB 4.3Å; L364-A385 PolarHBondContact N-O 3.3Å; L364-A385 VanDerWaalsContact N-O 3.07Å; A385-W387 HydrophobicContact CB-CE3 3.92Å; A385-W387 HydrophobicContact CB-CH2 3.54Å; A385-W387 HydrophobicContact CB-CZ2 4.17Å; A385-W387 HydrophobicContact CB-CZ3 3.41Å; A385-W387 VanDerWaalsContact CB-CZ3 3.41Å; A385-P395 CarbonylContact C-O 3.53Å; A385-P395 VanDerWaalsContact CA-O 3.3Å; A385-P395 WeakPolarHBondContact CA-O 3.2Å; A385-P395 HydrophobicContact CB-CB 4.04Å |
| 386 | L | 96.2 | Very high | 88.6 | Confident | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 103.6 | 175.9 | 174.2 | 60.3 | 0 | 0 | 0 | 108.3 | L364 L374 L383 L388 Q392 P395 L399 | L364-L386 HydrophobicContact CB-CD1 4.08Å; L364-L386 HydrophobicContact CD2-CD1 3.91Å; L364-L386 HydrophobicContact CG-CD1 4.01Å; L364-L386 CarbonylContact O-C 3.55Å; L364-L386 VanDerWaalsContact O-CA 3.26Å; L364-L386 WeakPolarHBondContact O-CA 3.33Å; L374-L386 HydrophobicContact CD1-CD2 3.98Å; L383-L386 HydrophobicContact CD1-CB 4.11Å; L383-L386 HydrophobicContact CD1-CD1 4.29Å; L383-L386 HydrophobicContact CD1-CD2 4.34Å; L383-L386 HydrophobicContact CD1-CG 4.48Å; L386-L388 HydrophobicContact CD1-CD2 4.45Å; L386-L388 HydrophobicContact CD2-CD1 4.47Å; L386-L388 HydrophobicContact CG-CG 4.28Å; L386-Q392 PolarHBondContact O-NE2 3.24Å; L386-P395 CarbonylContact C-O 3.59Å; L386-P395 PolarHBondContact N-O 2.65Å; L386-L399 HydrophobicContact CD2-CD1 3.89Å; L386-L399 HydrophobicContact CD2-CD2 4.15Å; L386-L399 HydrophobicContact CD2-CG 4.36Å |
| 387 | W | 94.4 | Very high | 88 | Confident | 50 Ų | 50 | 46.5 Ų | 46.5 | 19% | 0.189 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 121.7 | 176.6 | -73.6 | -80.5 | 0 | 0 | 0 | 111.1 | V363 L364 D365 V366 S367 A385 P395 I800 | V363-W387 HydrophobicContact CG1-CE3 4.33Å; V363-W387 HydrophobicContact CG1-CZ3 3.75Å; L364-W387 PolarHBondContact O-N 3.37Å; D365-W387 HydrophobicContact CB-CB 4.23Å; D365-W387 HydrophobicContact CB-CE3 4.32Å; D365-W387 WeakPolarHBondContact OD1-CB 3.43Å; V366-W387 CarbonylContact C-O 3.38Å; V366-W387 WeakPolarHBondContact CG2-O 3.41Å; V366-W387 PolarHBondContact N-O 3.14Å; S367-W387 PolarHBondContact N-O 3.5Å; A385-W387 HydrophobicContact CB-CE3 3.92Å; A385-W387 HydrophobicContact CB-CH2 3.54Å; A385-W387 HydrophobicContact CB-CZ2 4.17Å; A385-W387 HydrophobicContact CB-CZ3 3.41Å; A385-W387 VanDerWaalsContact CB-CZ3 3.41Å; W387-P395 HydrophobicContact CZ2-CB 4.11Å; W387-I800 HydrophobicContact CB-CD1 3.94Å; W387-I800 HydrophobicContact CD2-CD1 4.06Å; W387-I800 HydrophobicContact CD2-CG1 4.33Å; W387-I800 HydrophobicContact CD2-CG2 4.34Å; W387-I800 HydrophobicContact CG-CD1 3.54Å; W387-I800 HydrophobicContact CG-CG1 4.17Å; W387-I800 HydrophobicContact CH2-CG2 4.34Å; W387-I800 HydrophobicContact CZ2-CG2 4.16Å; W387-I800 HydrophobicContact CZ3-CG2 4.49Å |
| 388 | L | 94.3 | Very high | 87.5 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -112.4 | -10.1 | 178.1 | -65.7 | 166.9 | 0 | 0 | 0 | 112.1 | V366 L374 L386 C414 L416 L417 Q419 | V366-L388 HydrophobicContact CG2-CD2 3.74Å; L374-L388 HydrophobicContact CD1-CD1 4.42Å; L374-L388 HydrophobicContact CD1-CD2 4.13Å; L374-L388 HydrophobicContact CD2-CD2 4.27Å; L386-L388 HydrophobicContact CD1-CD2 4.45Å; L386-L388 HydrophobicContact CD2-CD1 4.47Å; L386-L388 HydrophobicContact CG-CG 4.28Å; L388-C414 WeakPolarHBondContact CD1-SG 3.2Å; L388-L416 HydrophobicContact CB-CB 4.11Å; L388-L416 HydrophobicContact CB-CD1 3.95Å; L388-L416 HydrophobicContact CD1-CB 4.46Å; L388-L417 HydrophobicContact CD1-CD1 4.25Å; L388-L417 HydrophobicContact CD1-CG 4.46Å; L388-L417 HydrophobicContact CD2-CD2 4.38Å; L388-Q419 PolarHBondContact O-NE2 3.18Å |
| 389 | S | 90.5 | Very high | 87.3 | Confident | 48 Ų | 48 | 54.3 Ų | 54.3 | 34% | 0.336 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -151.1 | 154.1 | 176 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | S367 Q392 | S367-S389 VanDerWaalsContact CB-C 3.46Å; S389-Q392 VanDerWaalsContact O-CB 3.29Å; S389-Q392 WeakPolarHBondContact O-CB 3.28Å |
| 390 | Q | 81.8 | Confident | 87.2 | Confident | 48 Ų | 48 | 57.3 Ų | 57.3 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -55.7 | -178.5 | -64.4 | 173.1 | -24 | 0 | 0 | 110.2 | E345 Q392 E798 E799 | E345-Q390 PolarHBondContact OE1-NE2 2.73Å; Q390-Q392 PolarHBondContact O-N 2.99Å; Q390-E798 CarbonylContact C-O 3.24Å; Q390-E798 VanDerWaalsContact C-O 3.32Å; Q390-E799 WeakPolarHBondContact O-CB 2.77Å |
| 391 | N | 76.6 | Confident | 87.1 | Confident | 77 Ų | 77 | 57.3 Ų | 57.3 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | 42.5 | -176.7 | -45.8 | -9.9 | 0 | 0 | 0 | 113.2 | S393 E798 | N391-S393 PolarHBondContact O-N 3.19Å; N391-E798 HydrophobicContact CB-CB 4.46Å; N391-E798 WeakPolarHBondContact OD1-CA 3.16Å; N391-E798 PolarHBondContact OD1-N 2.83Å; N391-E798 PolarHBondContact OD1-O 2.86Å |
| 392 | Q | 84.6 | Confident | 87.2 | Confident | 10 Ų | 10 | 60.6 Ų | 60.6 | 5% | 0.047 | 33% | 0.327 | C | S | . | . | trans | -92.5 | 91.7 | -173.4 | -168.3 | -173.1 | -70.3 | 0 | 0 | 112.7 | L386 S389 Q390 Q394 I397 L416 E799 | L386-Q392 PolarHBondContact O-NE2 3.24Å; S389-Q392 VanDerWaalsContact O-CB 3.29Å; S389-Q392 WeakPolarHBondContact O-CB 3.28Å; Q390-Q392 PolarHBondContact O-N 2.99Å; Q392-Q394 WeakPolarHBondContact CG-O 3.48Å; Q392-Q394 PolarHBondContact NE2-O 3.3Å; Q392-Q394 PolarHBondContact O-N 2.95Å; Q392-I397 VanDerWaalsContact CD-CD1 3.45Å; Q392-I397 HydrophobicContact CG-CD1 3.78Å; Q392-I397 HydrophobicContact CG-CG1 4.43Å; Q392-L416 HydrophobicContact CG-CD1 4.27Å; Q392-E799 PolarHBondContact N-OE2 2.96Å | ||
| 393 | S | 77.2 | Confident | 87.3 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 51% | 0.51 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -52.2 | -6.7 | -179.7 | 65.1 | 0 | 0 | 0 | 0 | 119.2 | N391 E799 P830 | N391-S393 PolarHBondContact O-N 3.19Å; S393-E799 PolarHBondContact N-OE2 3.14Å; S393-P830 VanDerWaalsContact O-CB 3.28Å; S393-P830 WeakPolarHBondContact O-CB 3.42Å |
| 394 | Q | 78.7 | Confident | 87.1 | Confident | 109 Ų | 109 | 59.8 Ų | 59.8 | 51% | 0.509 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -134.3 | 135 | 175 | -76 | 179.2 | 74.9 | 0 | 0 | 109.5 | Q392 V396 | Q392-Q394 WeakPolarHBondContact CG-O 3.48Å; Q392-Q394 PolarHBondContact NE2-O 3.3Å; Q392-Q394 PolarHBondContact O-N 2.95Å; Q394-V396 VanDerWaalsContact C-N 3.25Å; Q394-V396 PolarHBondContact O-N 3.32Å |
| 395 | P | 76.2 | Confident | 87.1 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -66.8 | -23.9 | -177.7 | 26.6 | -34.7 | 0 | 0 | 0 | 113.1 | A385 L386 W387 | A385-P395 CarbonylContact C-O 3.53Å; A385-P395 VanDerWaalsContact CA-O 3.3Å; A385-P395 WeakPolarHBondContact CA-O 3.2Å; A385-P395 HydrophobicContact CB-CB 4.04Å; L386-P395 CarbonylContact C-O 3.59Å; L386-P395 PolarHBondContact N-O 2.65Å; W387-P395 HydrophobicContact CZ2-CB 4.11Å |
| 396 | V | 76.3 | Confident | 86.9 | Confident | 61 Ų | 61 | 67 Ų | 67 | 37% | 0.37 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -132.7 | 131.5 | 174.5 | -178.4 | 0 | 0 | 0 | 0 | 109.9 | T384 Q394 | T384-V396 VanDerWaalsContact C-CG2 3.47Å; T384-V396 VanDerWaalsContact O-CG2 3.24Å; T384-V396 WeakPolarHBondContact O-CG2 3.37Å; Q394-V396 VanDerWaalsContact C-N 3.25Å; Q394-V396 PolarHBondContact O-N 3.32Å |
| 397 | I | 82.4 | Confident | 86.7 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 6% | 0.062 | 39% | 0.387 | C | S | . | . | trans | -100 | 142.3 | 172.4 | -70.6 | 168.4 | 0 | 0 | 0 | 110 | Q392 L399 C414 Y415 L416 | Q392-I397 VanDerWaalsContact CD-CD1 3.45Å; Q392-I397 HydrophobicContact CG-CD1 3.78Å; Q392-I397 HydrophobicContact CG-CG1 4.43Å; I397-L399 PolarHBondContact O-N 3.26Å; I397-C414 HydrophobicContact CG2-CB 3.81Å; I397-Y415 HydrophobicContact CD1-CE1 4.05Å; I397-Y415 WeakPolarHBondContact CD1-OH 3.26Å; I397-Y415 HydrophobicContact CG1-CE1 4.37Å; I397-Y415 HydrophobicContact CG2-CD1 4.28Å; I397-Y415 HydrophobicContact CG2-CE1 3.8Å; I397-L416 HydrophobicContact CD1-CD1 3.32Å; I397-L416 HydrophobicContact CD1-CG 4.01Å | ||
| 398 | T | 85.8 | Confident | 86.5 | Confident | 126 Ų | 126 | 74.4 Ų | 74.4 | 77% | 0.773 | 41% | 0.407 | S | S | * | . | trans | -62.5 | 108.3 | 172.5 | -51.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 399 | L | 90.8 | Very high | 86.3 | Confident | 50 Ų | 50 | 77.4 Ų | 77.4 | 26% | 0.262 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -78.7 | 141.5 | 173.6 | -57.1 | 179.5 | 0 | 0 | 0 | 111.1 | L374 L386 I397 L412 C414 | L374-L399 HydrophobicContact CD1-CD1 4.02Å; L374-L399 HydrophobicContact CD1-CD2 3.93Å; L386-L399 HydrophobicContact CD2-CD1 3.89Å; L386-L399 HydrophobicContact CD2-CD2 4.15Å; L386-L399 HydrophobicContact CD2-CG 4.36Å; I397-L399 PolarHBondContact O-N 3.26Å; L399-L412 HydrophobicContact CB-CB 4.3Å; L399-L412 HydrophobicContact CB-CD2 4.13Å; L399-L412 HydrophobicContact CD1-CB 4.14Å; L399-L412 HydrophobicContact CD1-CD1 3.96Å; L399-L412 HydrophobicContact CD1-CG 4.48Å; L399-C414 HydrophobicContact CD2-CB 4.06Å |
| 400 | Q | 90.4 | Very high | 86.4 | Confident | 133 Ų | 133 | 78.4 Ų | 78.4 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.1 | 172.2 | -61.4 | -176.7 | 6.3 | 0 | 0 | 109.3 | L412 T413 | Q400-L412 CarbonylContact O-C 3.57Å; Q400-L412 VanDerWaalsContact O-CA 3.31Å; Q400-L412 WeakPolarHBondContact O-CA 3.24Å; Q400-T413 HydrophobicContact CB-CG2 4.28Å; Q400-T413 PolarHBondContact N-O 3.45Å; Q400-T413 PolarHBondContact O-N 2.67Å |
| 401 | R | 93.8 | Very high | 87.1 | Confident | 150 Ų | 150 | 77.8 Ų | 77.8 | 57% | 0.566 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 130.1 | 169 | 173.9 | -177.2 | 169.8 | -167.5 | -5.1 | 109 | F376 Y411 L412 | F376-R401 HydrophobicContact CD2-CG 4.23Å; F376-R401 HydrophobicContact CE2-CG 4.21Å; R401-Y411 WeakPolarHBondContact CA-O 3.13Å; R401-L412 HydrophobicContact CB-CD2 4.41Å |
| 402 | D | 93.2 | Very high | 88 | Confident | 78 Ų | 78 | 74.7 Ų | 74.7 | 42% | 0.417 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 173.7 | 174 | -165.2 | 11.4 | 0 | 0 | 0 | 109.7 | Q410 Y411 T413 | D402-Q410 WeakPolarHBondContact O-CA 3.47Å; D402-Y411 HydrophobicContact CB-CD2 4.24Å; D402-Y411 HydrophobicContact CB-CE1 4.41Å; D402-Y411 HydrophobicContact CB-CE2 3.59Å; D402-Y411 VanDerWaalsContact CG-OH 3.31Å; D402-Y411 PolarHBondContact N-O 3.1Å; D402-Y411 PolarHBondContact O-N 3.05Å; D402-Y411 VanDerWaalsContact O-N 3.13Å; D402-Y411 PolarHBondContact OD2-OH 3.34Å; D402-T413 HydrophobicContact CB-CG2 4.29Å |
| 403 | V | 93.3 | Very high | 88.4 | Confident | 52 Ų | 52 | 75.5 Ų | 75.5 | 32% | 0.315 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 124.2 | -177.1 | -176.5 | 0 | 0 | 0 | 0 | 109.5 | P405 E409 Q410 | V403-P405 WeakPolarHBondContact O-CD 3.36Å; V403-E409 WeakPolarHBondContact CA-O 3.27Å; V403-Q410 HydrophobicContact CG2-CG 4.11Å |
| 404 | D | 89.3 | Confident | 89.1 | Confident | 24 Ų | 24 | 72.6 Ų | 72.6 | 13% | 0.128 | 39% | 0.385 | C | S | . | . | trans | -61.5 | 120.2 | 175.3 | -174.9 | -53.6 | 0 | 0 | 0 | 109 | R373 V406 T407 Q408 E409 Y411 | R373-D404 IonicContact CZ-OD2 3.53Å; R373-D404 IonicContact NH1-OD2 2.76Å; R373-D404 PolarHBondContact NH1-OD2 2.68Å; R373-D404 IonicContact NH2-OD2 3.34Å; D404-V406 PolarHBondContact O-N 3.39Å; D404-V406 VanDerWaalsContact O-N 3.15Å; D404-V406 WeakPolarHBondContact OD1-CA 3.32Å; D404-V406 WeakPolarHBondContact OD1-CB 3.34Å; D404-V406 PolarHBondContact OD1-N 3.35Å; D404-T407 VanDerWaalsContact CB-OG1 3.24Å; D404-T407 WeakPolarHBondContact CB-OG1 3.38Å; D404-T407 VanDerWaalsContact CG-OG1 3.27Å; D404-T407 PolarHBondContact OD1-N 2.87Å; D404-Q408 WeakPolarHBondContact O-CA 3.4Å; D404-Q408 PolarHBondContact O-N 3.21Å; D404-E409 HydrophobicContact CB-CB 4.41Å; D404-E409 PolarHBondContact N-O 2.92Å; D404-Y411 HydrophobicContact CB-CD1 4.3Å; D404-Y411 HydrophobicContact CB-CE1 4.01Å | ||
| 405 | P | 89 | Confident | 89.6 | Confident | 105 Ų | 105 | 75.5 Ų | 75.5 | 68% | 0.682 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.2 | -173.6 | 26.7 | -34.5 | 0 | 0 | 0 | 112.6 | V403 Q408 | V403-P405 WeakPolarHBondContact O-CD 3.36Å; P405-Q408 PolarHBondContact O-NE2 2.71Å; P405-Q408 VanDerWaalsContact O-NE2 3.08Å |
| 406 | V | 91.1 | Very high | 90.3 | Very high | 127 Ų | 127 | 74.2 Ų | 74.2 | 77% | 0.77 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -52.1 | 179.9 | -175.7 | 0 | 0 | 0 | 0 | 111 | D404 | D404-V406 PolarHBondContact O-N 3.39Å; D404-V406 VanDerWaalsContact O-N 3.15Å; D404-V406 WeakPolarHBondContact OD1-CA 3.32Å; D404-V406 WeakPolarHBondContact OD1-CB 3.34Å; D404-V406 PolarHBondContact OD1-N 3.35Å |
| 407 | T | 91.6 | Very high | 91 | Very high | 77 Ų | 77 | 72 Ų | 72 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -15.3 | -175.1 | 67.3 | 0 | 0 | 0 | 0 | 113.6 | D404 E409 | D404-T407 VanDerWaalsContact CB-OG1 3.24Å; D404-T407 WeakPolarHBondContact CB-OG1 3.38Å; D404-T407 VanDerWaalsContact CG-OG1 3.27Å; D404-T407 PolarHBondContact OD1-N 2.87Å; T407-E409 PolarHBondContact O-N 3.05Å; T407-E409 VanDerWaalsContact O-N 3.15Å; T407-E409 WeakPolarHBondContact OG1-CB 3.48Å; T407-E409 PolarHBondContact OG1-N 3Å; T407-E409 PolarHBondContact OG1-OE2 2.96Å |
| 408 | Q | 90.5 | Very high | 91.5 | Very high | 131 Ų | 131 | 75 Ų | 75 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | trans | 58.2 | 14.3 | -169.7 | -58.3 | -66.8 | -61.3 | 0 | 0 | 113.7 | D404 P405 | D404-Q408 WeakPolarHBondContact O-CA 3.4Å; D404-Q408 PolarHBondContact O-N 3.21Å; P405-Q408 PolarHBondContact O-NE2 2.71Å; P405-Q408 VanDerWaalsContact O-NE2 3.08Å | ||
| 409 | E | 89.7 | Confident | 91.6 | Very high | 68 Ų | 68 | 69.9 Ų | 69.9 | 32% | 0.318 | 36% | 0.355 | S | S | . | . | trans | -71.1 | 140.3 | 175.1 | -173.5 | -168 | 136.6 | 0 | 0 | 109.9 | R373 V403 D404 T407 | R373-E409 IonicContact CZ-OE1 3.88Å; R373-E409 IonicContact NE-OE1 3.61Å; R373-E409 VanDerWaalsContact NH2-CD 3.33Å; R373-E409 IonicContact NH2-OE1 3.62Å; R373-E409 PolarHBondContact NH2-OE1 2.87Å; R373-E409 IonicContact NH2-OE2 3.02Å; R373-E409 PolarHBondContact NH2-OE2 2.91Å; R373-E409 VanDerWaalsContact NH2-OE2 3.07Å; V403-E409 WeakPolarHBondContact CA-O 3.27Å; D404-E409 HydrophobicContact CB-CB 4.41Å; D404-E409 PolarHBondContact N-O 2.92Å; T407-E409 PolarHBondContact O-N 3.05Å; T407-E409 VanDerWaalsContact O-N 3.15Å; T407-E409 WeakPolarHBondContact OG1-CB 3.48Å; T407-E409 PolarHBondContact OG1-N 3Å; T407-E409 PolarHBondContact OG1-OE2 2.96Å | ||
| 410 | Q | 93.1 | Very high | 90.7 | Very high | 68 Ų | 68 | 74.5 Ų | 74.5 | 32% | 0.318 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 132.9 | 176 | -71.5 | 164 | 33.6 | 0 | 0 | 108.7 | F376 D402 V403 | F376-Q410 HydrophobicContact CB-CB 3.84Å; F376-Q410 WeakPolarHBondContact CB-O 3.29Å; F376-Q410 HydrophobicContact CD1-CB 4.21Å; F376-Q410 HydrophobicContact CD2-CB 4.35Å; F376-Q410 HydrophobicContact CG-CB 3.87Å; D402-Q410 WeakPolarHBondContact O-CA 3.47Å; V403-Q410 HydrophobicContact CG2-CG 4.11Å |
| 411 | Y | 95.1 | Very high | 89 | Confident | 35 Ų | 35 | 74 Ų | 74 | 14% | 0.137 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 166.8 | 174 | 60.7 | -96.8 | 0 | 0 | 0 | 111 | R373 L374 R401 D402 D404 T413 | R373-Y411 HydrophobicContact CB-CD2 3.89Å; R373-Y411 HydrophobicContact CB-CG 4.17Å; R373-Y411 HydrophobicContact CG-CG 4.33Å; L374-Y411 WeakPolarHBondContact O-CB 3.27Å; R401-Y411 WeakPolarHBondContact CA-O 3.13Å; D402-Y411 HydrophobicContact CB-CD2 4.24Å; D402-Y411 HydrophobicContact CB-CE1 4.41Å; D402-Y411 HydrophobicContact CB-CE2 3.59Å; D402-Y411 VanDerWaalsContact CG-OH 3.31Å; D402-Y411 PolarHBondContact N-O 3.1Å; D402-Y411 PolarHBondContact O-N 3.05Å; D402-Y411 VanDerWaalsContact O-N 3.13Å; D402-Y411 PolarHBondContact OD2-OH 3.34Å; D404-Y411 HydrophobicContact CB-CD1 4.3Å; D404-Y411 HydrophobicContact CB-CE1 4.01Å; Y411-T413 HydrophobicContact CD2-CG2 4.44Å; Y411-T413 HydrophobicContact CE2-CG2 4.03Å |
| 412 | L | 95.3 | Very high | 86.6 | Confident | 13 Ų | 13 | 74.6 Ų | 74.6 | 7% | 0.068 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 133.8 | 172.4 | -67.1 | 167.5 | 0 | 0 | 0 | 108.9 | L374 F376 L378 L399 Q400 R401 | L374-L412 HydrophobicContact CB-CB 3.99Å; L374-L412 PolarHBondContact N-O 3.49Å; L374-L412 PolarHBondContact O-N 2.77Å; F376-L412 HydrophobicContact CD2-CD2 4.28Å; F376-L412 HydrophobicContact CD2-CG 4.37Å; L378-L412 HydrophobicContact CB-CD1 4.26Å; L399-L412 HydrophobicContact CB-CB 4.3Å; L399-L412 HydrophobicContact CB-CD2 4.13Å; L399-L412 HydrophobicContact CD1-CB 4.14Å; L399-L412 HydrophobicContact CD1-CD1 3.96Å; L399-L412 HydrophobicContact CD1-CG 4.48Å; Q400-L412 CarbonylContact O-C 3.57Å; Q400-L412 VanDerWaalsContact O-CA 3.31Å; Q400-L412 WeakPolarHBondContact O-CA 3.24Å; R401-L412 HydrophobicContact CB-CD2 4.41Å |
| 413 | T | 94.3 | Very high | 83.7 | Confident | 26 Ų | 26 | 76.3 Ų | 76.3 | 16% | 0.16 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.1 | 162.9 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 110.8 | Q400 D402 Y411 | Q400-T413 HydrophobicContact CB-CG2 4.28Å; Q400-T413 PolarHBondContact N-O 3.45Å; Q400-T413 PolarHBondContact O-N 2.67Å; D402-T413 HydrophobicContact CB-CG2 4.29Å; Y411-T413 HydrophobicContact CD2-CG2 4.44Å; Y411-T413 HydrophobicContact CE2-CG2 4.03Å |
| 414 | C | 91.7 | Very high | 80.6 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 8% | 0.081 | 42% | 0.418 | C | S | . | . | trans | -155.2 | -176.7 | 171.8 | 73 | 0 | 0 | 0 | 0 | 109.2 | L388 I397 L399 L416 L417 | L388-C414 WeakPolarHBondContact CD1-SG 3.2Å; I397-C414 HydrophobicContact CG2-CB 3.81Å; L399-C414 HydrophobicContact CD2-CB 4.06Å; C414-L416 PolarHBondContact O-N 3.06Å; C414-L416 VanDerWaalsContact O-N 3.11Å; C414-L416 PolarHBondContact SG-N 3.1Å; C414-L417 PolarHBondContact O-N 3.4Å | ||
| 415 | Y | 89.3 | Confident | 77.8 | Confident | 170 Ų | 170 | 88.5 Ų | 88.5 | 67% | 0.667 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -5.4 | -178.8 | 72.7 | -89.2 | 0 | 0 | 0 | 114.8 | I397 | I397-Y415 HydrophobicContact CD1-CE1 4.05Å; I397-Y415 WeakPolarHBondContact CD1-OH 3.26Å; I397-Y415 HydrophobicContact CG1-CE1 4.37Å; I397-Y415 HydrophobicContact CG2-CD1 4.28Å; I397-Y415 HydrophobicContact CG2-CE1 3.8Å |
| 416 | L | 90.3 | Very high | 75.2 | Confident | 40 Ų | 40 | 88.1 Ų | 88.1 | 21% | 0.209 | 45% | 0.449 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 10.5 | 172.1 | -62.4 | -175.3 | 0 | 0 | 0 | 112.8 | L388 Q392 I397 C414 | L388-L416 HydrophobicContact CB-CB 4.11Å; L388-L416 HydrophobicContact CB-CD1 3.95Å; L388-L416 HydrophobicContact CD1-CB 4.46Å; Q392-L416 HydrophobicContact CG-CD1 4.27Å; I397-L416 HydrophobicContact CD1-CD1 3.32Å; I397-L416 HydrophobicContact CD1-CG 4.01Å; C414-L416 PolarHBondContact O-N 3.06Å; C414-L416 VanDerWaalsContact O-N 3.11Å; C414-L416 PolarHBondContact SG-N 3.1Å |
| 417 | L | 91.8 | Very high | 72.6 | Confident | 16 Ų | 16 | 91.2 Ų | 91.2 | 8% | 0.084 | 46% | 0.455 | C | S | . | . | trans | -126.7 | 130.5 | 179.5 | -70.3 | 165 | 0 | 0 | 0 | 109.5 | L371 L374 L388 C414 Q419 | L371-L417 HydrophobicContact CB-CD2 3.96Å; L371-L417 VanDerWaalsContact O-CD2 3.27Å; L371-L417 WeakPolarHBondContact O-CD2 2.92Å; L374-L417 HydrophobicContact CD1-CD1 3.87Å; L374-L417 HydrophobicContact CG-CD1 3.79Å; L388-L417 HydrophobicContact CD1-CD1 4.25Å; L388-L417 HydrophobicContact CD1-CG 4.46Å; L388-L417 HydrophobicContact CD2-CD2 4.38Å; C414-L417 PolarHBondContact O-N 3.4Å; L417-Q419 HydrophobicContact CD2-CG 4.33Å | ||
| 418 | P | 91.2 | Very high | 70.1 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | S | Bend | cis | -64.7 | 149.9 | -0.8 | 30.9 | -37.6 | 0 | 0 | 0 | 112.3 | L371 D420 | L371-P418 CarbonylContact O-C 3.4Å; L371-P418 WeakPolarHBondContact O-CA 3.5Å; P418-D420 PolarHBondContact O-N 3.18Å |
| 419 | Q | 89.4 | Confident | 67.8 | Low | 18 Ų | 18 | 90.3 Ų | 90.3 | 8% | 0.084 | 46% | 0.456 | C | S | . | . | trans | -68.4 | 110.3 | 167.7 | -73.7 | 173.9 | -37.1 | 0 | 0 | 107.7 | V366 N369 L371 L388 L417 Q421 | V366-Q419 PolarHBondContact O-NE2 2.92Å; N369-Q419 VanDerWaalsContact CB-OE1 3.23Å; N369-Q419 WeakPolarHBondContact O-CB 3.47Å; N369-Q419 PolarHBondContact O-OE1 3.08Å; L371-Q419 HydrophobicContact CB-CG 4.41Å; L371-Q419 VanDerWaalsContact CB-OE1 3.25Å; L371-Q419 VanDerWaalsContact CG-OE1 3.31Å; L371-Q419 PolarHBondContact O-N 2.77Å; L388-Q419 PolarHBondContact O-NE2 3.18Å; L417-Q419 HydrophobicContact CD2-CG 4.33Å; Q419-Q421 PolarHBondContact O-N 3.4Å | ||
| 420 | D | 70.7 | Confident | 65.9 | Low | 148 Ų | 148 | 93.3 Ų | 93.3 | 79% | 0.791 | 48% | 0.481 | S | S | * | . | trans | -53.5 | 134.2 | -174.5 | -86.5 | -39.8 | 0 | 0 | 0 | 111.7 | P418 L422 | P418-D420 PolarHBondContact O-N 3.18Å; D420-L422 PolarHBondContact O-N 3.31Å | ||
| 421 | Q | 56 | Low | 64.3 | Low | 121 Ų | 121 | 94.3 Ų | 94.3 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | trans | -62 | 126.5 | 169.7 | -63.6 | 176 | 7.9 | 0 | 0 | 107.7 | Q419 D423 | Q419-Q421 PolarHBondContact O-N 3.4Å; Q421-D423 HydrophobicContact CB-CB 4.25Å; Q421-D423 PolarHBondContact O-N 2.73Å | ||
| 422 | L | 41.8 | Very low | 62.3 | Low | 163 Ų | 163 | 97 Ų | 97 | 85% | 0.853 | 51% | 0.507 | S | S | * | . | trans | -73.2 | 46.9 | 171.8 | -124.8 | 148.3 | 0 | 0 | 0 | 110.9 | D420 | D420-L422 PolarHBondContact O-N 3.31Š| ||
| 423 | D | 33.9 | Very low | 60.5 | Low | 114 Ų | 114 | 98.4 Ų | 98.4 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | trans | -87.1 | 117.7 | 175.6 | -101.3 | 31.1 | 0 | 0 | 0 | 108.5 | Q421 R425 | Q421-D423 HydrophobicContact CB-CB 4.25Å; Q421-D423 PolarHBondContact O-N 2.73Å; D423-R425 PolarHBondContact O-N 2.83Å | ||
| 424 | S | 28.3 | Very low | 58.6 | Low | 97 Ų | 97 | 102.2 Ų | 102.2 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | trans | -64.2 | 82.4 | -171.3 | 47.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 425 | R | 30.2 | Very low | 56.9 | Low | 235 Ų | 235 | 105.7 Ų | 105.7 | 89% | 0.887 | 57% | 0.567 | S | S | * | * | trans | -139.2 | 84.5 | 166.7 | -75.3 | -166.9 | 170.5 | 163.7 | 1.9 | 112.9 | D423 E427 | D423-R425 PolarHBondContact O-N 2.83Å; R425-E427 PolarHBondContact O-N 2.7Å | ||
| 426 | V | 34.9 | Very low | 55 | Low | 97 Ų | 97 | 100.4 Ų | 100.4 | 59% | 0.588 | 55% | 0.549 | S | S | * | . | trans | -61 | 124.4 | 160 | 176 | 0 | 0 | 0 | 0 | 108.8 | T428 F440 | V426-T428 PolarHBondContact O-N 3.46Å; V426-F440 HydrophobicContact CG2-CE1 3.85Å; V426-F440 HydrophobicContact CG2-CZ 4.35Å | ||
| 427 | E | 35.8 | Very low | 53.3 | Low | 193 Ų | 193 | 102.7 Ų | 102.7 | 90% | 0.902 | 56% | 0.561 | S | S | * | * | trans | -63.3 | 105.9 | 164.7 | -71.3 | -166.5 | 134.8 | 0 | 0 | 108.7 | R425 D429 | R425-E427 PolarHBondContact O-N 2.7Å; E427-D429 PolarHBondContact O-N 2.8Å | ||
| 428 | T | 38.1 | Very low | 51.4 | Low | 102 Ų | 102 | 107.4 Ų | 107.4 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | trans | -68.3 | 120.2 | -177.4 | 52.2 | 0 | 0 | 0 | 0 | 111.2 | V426 | V426-T428 PolarHBondContact O-N 3.46Š| ||
| 429 | D | 43.3 | Very low | 49.5 | Very low | 87 Ų | 87 | 107.7 Ų | 107.7 | 47% | 0.465 | 59% | 0.59 | S | S | . | * | trans | -56.2 | 123.7 | 163.6 | -179.9 | -26.6 | 0 | 0 | 0 | 108.9 | E427 T431 M432 | E427-D429 PolarHBondContact O-N 2.8Å; D429-T431 PolarHBondContact O-N 2.89Å; D429-T431 VanDerWaalsContact OD1-CB 3.31Å; D429-T431 WeakPolarHBondContact OD1-CB 3.23Å; D429-T431 WeakPolarHBondContact OD1-CG2 3.45Å; D429-T431 PolarHBondContact OD1-N 2.95Å; D429-T431 PolarHBondContact OD1-OG1 3.43Å; D429-T431 PolarHBondContact OD2-OG1 3.01Å; D429-M432 PolarHBondContact O-N 2.84Å | ||
| 430 | P | 49.1 | Very low | 47.3 | Very low | 130 Ų | 130 | 112.2 Ų | 112.2 | 84% | 0.844 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | 6.6 | -178.5 | 29.1 | -36.2 | 0 | 0 | 0 | 114.5 | ||
| 431 | T | 60.6 | Low | 46 | Very low | 89 Ų | 89 | 108 Ų | 108 | 55% | 0.546 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -106.7 | -1.1 | 177.6 | 71.1 | 0 | 0 | 0 | 0 | 115.3 | D429 | D429-T431 PolarHBondContact O-N 2.89Å; D429-T431 VanDerWaalsContact OD1-CB 3.31Å; D429-T431 WeakPolarHBondContact OD1-CB 3.23Å; D429-T431 WeakPolarHBondContact OD1-CG2 3.45Å; D429-T431 PolarHBondContact OD1-N 2.95Å; D429-T431 PolarHBondContact OD1-OG1 3.43Å; D429-T431 PolarHBondContact OD2-OG1 3.01Å |
| 432 | M | 51.7 | Low | 45.5 | Very low | 93 Ų | 93 | 105.3 Ų | 105.3 | 46% | 0.458 | 59% | 0.59 | S | S | . | * | trans | -77.6 | 146.3 | 176 | -71.6 | -162.1 | 112.9 | 0 | 0 | 113.2 | D429 E436 L437 | D429-M432 PolarHBondContact O-N 2.84Å; M432-E436 HydrophobicContact CE-CB 3.97Å; M432-E436 HydrophobicContact CE-CG 4.42Å; M432-L437 HydrophobicContact CB-CD1 4.25Å | ||
| 433 | S | 58.5 | Low | 45.5 | Very low | 41 Ų | 41 | 100 Ų | 100 | 29% | 0.287 | 57% | 0.566 | S | S | . | * | trans | -86.4 | 156.3 | -179.7 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | S435 E436 L437 | S433-S435 PolarHBondContact O-N 2.8Å; S433-S435 VanDerWaalsContact O-N 3.17Å; S433-S435 PolarHBondContact OG-OG 3.4Å; S433-E436 VanDerWaalsContact CB-OE2 3.3Å; S433-E436 WeakPolarHBondContact CB-OE2 3.13Å; S433-E436 PolarHBondContact N-OE2 3.36Å; S433-E436 PolarHBondContact O-N 2.96Å; S433-E436 VanDerWaalsContact OG-CD 3.28Å; S433-E436 WeakPolarHBondContact OG-CG 3.35Å; S433-E436 PolarHBondContact OG-OE2 2.82Å; S433-L437 PolarHBondContact O-N 2.71Å | ||
| 434 | P | 53 | Low | 45.6 | Very low | 106 Ų | 106 | 98.5 Ų | 98.5 | 69% | 0.688 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -56.4 | -35.2 | -178.4 | -27 | 35.7 | 0 | 0 | 0 | 114.1 | E436 L437 D438 | P434-E436 VanDerWaalsContact C-N 3.29Å; P434-E436 PolarHBondContact O-N 2.91Å; P434-L437 PolarHBondContact O-N 2.88Å; P434-D438 PolarHBondContact O-N 3.43Å |
| 435 | S | 57.3 | Low | 46.1 | Very low | 86 Ų | 86 | 98.3 Ų | 98.3 | 60% | 0.601 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.5 | -24.3 | 176.6 | 39.8 | 0 | 0 | 0 | 0 | 114.3 | S433 | S433-S435 PolarHBondContact O-N 2.8Å; S433-S435 VanDerWaalsContact O-N 3.17Å; S433-S435 PolarHBondContact OG-OG 3.4Å |
| 436 | E | 48.9 | Very low | 46.5 | Very low | 58 Ų | 58 | 89.9 Ų | 89.9 | 27% | 0.271 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -81.8 | -26.7 | 175.7 | -68.7 | 162.4 | 129.7 | 0 | 0 | 111.4 | M432 S433 P434 S439 F440 | M432-E436 HydrophobicContact CE-CB 3.97Å; M432-E436 HydrophobicContact CE-CG 4.42Å; S433-E436 VanDerWaalsContact CB-OE2 3.3Å; S433-E436 WeakPolarHBondContact CB-OE2 3.13Å; S433-E436 PolarHBondContact N-OE2 3.36Å; S433-E436 PolarHBondContact O-N 2.96Å; S433-E436 VanDerWaalsContact OG-CD 3.28Å; S433-E436 WeakPolarHBondContact OG-CG 3.35Å; S433-E436 PolarHBondContact OG-OE2 2.82Å; P434-E436 VanDerWaalsContact C-N 3.29Å; P434-E436 PolarHBondContact O-N 2.91Å; E436-S439 PolarHBondContact O-OG 3.38Å; E436-F440 WeakPolarHBondContact O-CB 3.04Å; E436-F440 PolarHBondContact O-N 3.48Å |
| 437 | L | 54.2 | Low | 46.7 | Very low | 88 Ų | 88 | 91.8 Ų | 91.8 | 46% | 0.461 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -70.2 | -41.8 | 171.1 | -96.1 | 83 | 0 | 0 | 0 | 112.1 | M432 S433 P434 S439 F440 S441 | M432-L437 HydrophobicContact CB-CD1 4.25Å; S433-L437 PolarHBondContact O-N 2.71Å; P434-L437 PolarHBondContact O-N 2.88Å; L437-S439 PolarHBondContact O-N 2.76Å; L437-F440 PolarHBondContact O-N 2.72Å; L437-S441 WeakPolarHBondContact O-CB 3.26Å; L437-S441 PolarHBondContact O-N 2.76Å; L437-S441 PolarHBondContact O-OG 3.42Å |
| 438 | D | 51.8 | Low | 46.7 | Very low | 116 Ų | 116 | 88.5 Ų | 88.5 | 62% | 0.62 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | -176.3 | -73.2 | -22.4 | 0 | 0 | 0 | 111.9 | P434 S441 A442 | P434-D438 PolarHBondContact O-N 3.43Å; D438-S441 PolarHBondContact O-OG 3.29Å; D438-S441 VanDerWaalsContact O-OG 3.06Å; D438-A442 PolarHBondContact O-N 2.91Å |
| 439 | S | 51.1 | Low | 46.6 | Very low | 80 Ų | 80 | 89.9 Ų | 89.9 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.7 | -37.6 | 175.2 | 62.9 | 0 | 0 | 0 | 0 | 113.1 | E436 L437 S441 A442 | E436-S439 PolarHBondContact O-OG 3.38Å; L437-S439 PolarHBondContact O-N 2.76Å; S439-S441 VanDerWaalsContact C-N 3.33Å; S439-S441 PolarHBondContact O-N 3.44Å; S439-A442 PolarHBondContact O-N 3.15Å |
| 440 | F | 43.6 | Very low | 46.3 | Very low | 113 Ų | 113 | 89.9 Ų | 89.9 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.3 | -31.6 | -179.7 | -155.9 | -85 | 0 | 0 | 0 | 112.1 | V426 E436 L437 A442 L444 | V426-F440 HydrophobicContact CG2-CE1 3.85Å; V426-F440 HydrophobicContact CG2-CZ 4.35Å; E436-F440 WeakPolarHBondContact O-CB 3.04Å; E436-F440 PolarHBondContact O-N 3.48Å; L437-F440 PolarHBondContact O-N 2.72Å; F440-A442 VanDerWaalsContact C-N 3.34Å; F440-L444 HydrophobicContact CD1-CD1 3.84Å; F440-L444 HydrophobicContact CE1-CD1 3.63Å; F440-L444 HydrophobicContact CZ-CD1 4.45Å; F440-L444 VanDerWaalsContact O-CD1 3.32Å; F440-L444 WeakPolarHBondContact O-CD1 3.48Å |
| 441 | S | 44.5 | Very low | 45.7 | Very low | 59 Ų | 59 | 89.1 Ų | 89.1 | 41% | 0.413 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -77.4 | -16.7 | 174.4 | 70 | 0 | 0 | 0 | 0 | 114 | L437 D438 S439 N445 | L437-S441 WeakPolarHBondContact O-CB 3.26Å; L437-S441 PolarHBondContact O-N 2.76Å; L437-S441 PolarHBondContact O-OG 3.42Å; D438-S441 PolarHBondContact O-OG 3.29Å; D438-S441 VanDerWaalsContact O-OG 3.06Å; S439-S441 VanDerWaalsContact C-N 3.33Å; S439-S441 PolarHBondContact O-N 3.44Å; S441-N445 PolarHBondContact O-ND2 2.62Å |
| 442 | A | 45.3 | Very low | 44.6 | Very low | 64 Ų | 64 | 91 Ų | 91 | 53% | 0.529 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -76.3 | -46.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | D438 S439 F440 N445 | D438-A442 PolarHBondContact O-N 2.91Å; S439-A442 PolarHBondContact O-N 3.15Å; F440-A442 VanDerWaalsContact C-N 3.34Å; A442-N445 PolarHBondContact O-N 2.95Å |
| 443 | S | 40.5 | Very low | 44 | Very low | 52 Ų | 52 | 91.4 Ų | 91.4 | 36% | 0.364 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -39.4 | -176.2 | 64.7 | 0 | 0 | 0 | 0 | 113.3 | N445 A446 | S443-N445 VanDerWaalsContact C-N 3.26Å; S443-N445 PolarHBondContact O-N 3.33Å; S443-A446 PolarHBondContact O-N 3.02Å |
| 444 | L | 37.2 | Very low | 43.1 | Very low | 82 Ų | 82 | 94.4 Ų | 94.4 | 43% | 0.429 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.8 | -27.2 | 176.7 | -87.6 | 99.8 | 0 | 0 | 0 | 113.6 | F440 | F440-L444 HydrophobicContact CD1-CD1 3.84Å; F440-L444 HydrophobicContact CE1-CD1 3.63Å; F440-L444 HydrophobicContact CZ-CD1 4.45Å; F440-L444 VanDerWaalsContact O-CD1 3.32Å; F440-L444 WeakPolarHBondContact O-CD1 3.48Å |
| 445 | N | 38.7 | Very low | 42.4 | Very low | 93 Ų | 93 | 92.5 Ų | 92.5 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -87.3 | -7.9 | -177.8 | -81.5 | -60.9 | 0 | 0 | 0 | 114.1 | S441 A442 S443 | S441-N445 PolarHBondContact O-ND2 2.62Å; A442-N445 PolarHBondContact O-N 2.95Å; S443-N445 VanDerWaalsContact C-N 3.26Å; S443-N445 PolarHBondContact O-N 3.33Å |
| 446 | A | 38.9 | Very low | 41.4 | Very low | 59 Ų | 59 | 93.8 Ų | 93.8 | 49% | 0.488 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -77.9 | -44.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | S443 M448 | S443-A446 PolarHBondContact O-N 3.02Å; A446-M448 PolarHBondContact O-N 2.9Å |
| 447 | N | 37.4 | Very low | 40.8 | Very low | 136 Ų | 136 | 95.9 Ų | 95.9 | 73% | 0.727 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -10.9 | -175.1 | -84.5 | -4.3 | 0 | 0 | 0 | 115.5 | ||
| 448 | M | 37.1 | Very low | 40.2 | Very low | 124 Ų | 124 | 94.7 Ų | 94.7 | 61% | 0.611 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | -14.4 | 177.9 | -76.2 | -165.9 | 165.5 | 0 | 0 | 114.6 | A446 | A446-M448 PolarHBondContact O-N 2.9Š|
| 449 | K | 35.5 | Very low | 39.4 | Very low | 131 Ų | 131 | 92.5 Ų | 92.5 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -84.9 | -31.6 | -176.8 | -79.6 | 179.8 | 174.6 | 174.8 | 0 | 114.3 | N451 D453 | K449-N451 VanDerWaalsContact C-N 3.34Å; K449-N451 PolarHBondContact O-N 2.77Å; K449-D453 PolarHBondContact O-N 2.7Å |
| 450 | T | 38 | Very low | 38.5 | Very low | 88 Ų | 88 | 91.3 Ų | 91.3 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.8 | -36.8 | -179.5 | 45.9 | 0 | 0 | 0 | 0 | 113 | ||
| 451 | N | 36.2 | Very low | 38.1 | Very low | 113 Ų | 113 | 92.9 Ų | 92.9 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -85.1 | -27.2 | -179.2 | -72.9 | -23.9 | 0 | 0 | 0 | 114 | K449 L455 | K449-N451 VanDerWaalsContact C-N 3.34Å; K449-N451 PolarHBondContact O-N 2.77Å; N451-L455 WeakPolarHBondContact O-CG 3.26Å |
| 452 | H | 37.9 | Very low | 37.8 | Very low | 128 Ų | 128 | 95.6 Ų | 95.6 | 59% | 0.593 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -81.4 | -39.3 | 179.7 | -116.1 | -66.3 | 0 | 0 | 0 | 113.1 | L454 L455 D456 | H452-L454 VanDerWaalsContact C-N 3.27Å; H452-L454 PolarHBondContact O-N 2.83Å; H452-L455 PolarHBondContact O-N 2.77Å; H452-D456 PolarHBondContact O-N 3.1Å |
| 453 | D | 38 | Very low | 37.2 | Very low | 102 Ų | 102 | 98.7 Ų | 98.7 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.3 | -19.1 | 179 | -71.8 | -26.3 | 0 | 0 | 0 | 112.5 | K449 N457 | K449-D453 PolarHBondContact O-N 2.7Å; D453-N457 PolarHBondContact O-ND2 3.4Å |
| 454 | L | 39.7 | Very low | 36.8 | Very low | 105 Ų | 105 | 104.2 Ų | 104.2 | 55% | 0.55 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -78.4 | -38.8 | 171.4 | -86.3 | 167.6 | 0 | 0 | 0 | 112.6 | H452 N457 I458 | H452-L454 VanDerWaalsContact C-N 3.27Å; H452-L454 PolarHBondContact O-N 2.83Å; L454-N457 PolarHBondContact O-N 2.84Å; L454-I458 WeakPolarHBondContact O-CB 3.14Å; L454-I458 WeakPolarHBondContact O-CD1 3.42Å; L454-I458 VanDerWaalsContact O-CG1 3.24Å; L454-I458 WeakPolarHBondContact O-CG1 3.45Å; L454-I458 PolarHBondContact O-N 3.48Å |
| 455 | L | 38.3 | Very low | 36.3 | Very low | 65 Ų | 65 | 106.1 Ų | 106.1 | 34% | 0.34 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.8 | -35.3 | -178.1 | -74.8 | 168.7 | 0 | 0 | 0 | 113.2 | N451 H452 S459 | N451-L455 WeakPolarHBondContact O-CG 3.26Å; H452-L455 PolarHBondContact O-N 2.77Å; L455-S459 VanDerWaalsContact O-CB 3.28Å; L455-S459 WeakPolarHBondContact O-CB 3.49Å; L455-S459 PolarHBondContact O-N 3.12Å; L455-S459 PolarHBondContact O-OG 2.83Å |
| 456 | D | 36.8 | Very low | 35.9 | Very low | 113 Ų | 113 | 113.1 Ų | 113.1 | 60% | 0.604 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.5 | -31.4 | 174.6 | -81.6 | -16.2 | 0 | 0 | 0 | 112.3 | H452 A460 | H452-D456 PolarHBondContact O-N 3.1Å; D456-A460 PolarHBondContact O-N 3.32Å |
| 457 | N | 36.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 119.3 Ų | 119.3 | 55% | 0.545 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -75.5 | -41.1 | 174.1 | -77.9 | -55.3 | 0 | 0 | 0 | 112.3 | D453 L454 S459 A460 E461 | D453-N457 PolarHBondContact O-ND2 3.4Å; L454-N457 PolarHBondContact O-N 2.84Å; N457-S459 VanDerWaalsContact C-N 3.3Å; N457-S459 PolarHBondContact O-N 3.19Å; N457-A460 WeakPolarHBondContact O-CB 3.09Å; N457-A460 PolarHBondContact O-N 3.31Å; N457-E461 PolarHBondContact O-N 3.42Å |
| 458 | I | 40.1 | Very low | 35.1 | Very low | 63 Ų | 63 | 118.2 Ų | 118.2 | 32% | 0.323 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.9 | -36.2 | 175.3 | -69.2 | 164.9 | 0 | 0 | 0 | 110.8 | L454 A460 E461 I462 | L454-I458 WeakPolarHBondContact O-CB 3.14Å; L454-I458 WeakPolarHBondContact O-CD1 3.42Å; L454-I458 VanDerWaalsContact O-CG1 3.24Å; L454-I458 WeakPolarHBondContact O-CG1 3.45Å; L454-I458 PolarHBondContact O-N 3.48Å; I458-A460 PolarHBondContact O-N 3.02Å; I458-E461 PolarHBondContact O-N 2.65Å; I458-I462 HydrophobicContact CG2-CD1 3.56Å; I458-I462 HydrophobicContact CG2-CG1 4.26Å; I458-I462 WeakPolarHBondContact O-CB 3.44Å; I458-I462 VanDerWaalsContact O-CG1 3.31Å; I458-I462 WeakPolarHBondContact O-CG1 3.3Å; I458-I462 PolarHBondContact O-N 3.3Å |
| 459 | S | 34.9 | Very low | 34.9 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 49% | 0.49 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.1 | -22.8 | 173 | -60.1 | 0 | 0 | 0 | 0 | 113.5 | L455 N457 N463 | L455-S459 VanDerWaalsContact O-CB 3.28Å; L455-S459 WeakPolarHBondContact O-CB 3.49Å; L455-S459 PolarHBondContact O-N 3.12Å; L455-S459 PolarHBondContact O-OG 2.83Å; N457-S459 VanDerWaalsContact C-N 3.3Å; N457-S459 PolarHBondContact O-N 3.19Å; S459-N463 PolarHBondContact O-ND2 2.79Å |
| 460 | A | 32.7 | Very low | 34.8 | Very low | 56 Ų | 56 | 118.8 Ų | 118.8 | 46% | 0.463 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -88.1 | -38 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D456 N457 I458 N463 | D456-A460 PolarHBondContact O-N 3.32Å; N457-A460 WeakPolarHBondContact O-CB 3.09Å; N457-A460 PolarHBondContact O-N 3.31Å; I458-A460 PolarHBondContact O-N 3.02Å; A460-N463 PolarHBondContact O-N 2.68Å |
| 461 | E | 35.5 | Very low | 34.4 | Very low | 145 Ų | 145 | 122.6 Ų | 122.6 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.6 | -31.2 | 179.7 | -72.4 | -173.2 | 135.6 | 0 | 0 | 113.1 | N457 I458 N463 | N457-E461 PolarHBondContact O-N 3.42Å; I458-E461 PolarHBondContact O-N 2.65Å; E461-N463 PolarHBondContact O-N 3.19Å |
| 462 | I | 38.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 125 Ų | 125 | 60% | 0.6 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -16.5 | 176.2 | -68.2 | 175.3 | 0 | 0 | 0 | 112.6 | I458 | I458-I462 HydrophobicContact CG2-CD1 3.56Å; I458-I462 HydrophobicContact CG2-CG1 4.26Å; I458-I462 WeakPolarHBondContact O-CB 3.44Å; I458-I462 VanDerWaalsContact O-CG1 3.31Å; I458-I462 WeakPolarHBondContact O-CG1 3.3Å; I458-I462 PolarHBondContact O-N 3.3Å |
| 463 | N | 33.4 | Very low | 33.9 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 10 | 180 | -81 | -63.2 | 0 | 0 | 0 | 114.6 | S459 A460 E461 | S459-N463 PolarHBondContact O-ND2 2.79Å; A460-N463 PolarHBondContact O-N 2.68Å; E461-N463 PolarHBondContact O-N 3.19Å |
| 464 | H | 30.5 | Very low | 33.5 | Very low | 167 Ų | 167 | 124.8 Ų | 124.8 | 77% | 0.773 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -140.2 | 40.3 | -173.7 | -97.2 | -45.5 | 0 | 0 | 0 | 117 | ||
| 465 | T | 28.2 | Very low | 33 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -158.7 | 62.5 | 162.9 | 16.3 | 0 | 0 | 0 | 0 | 114.8 | ||
| 466 | Y | 28.8 | Very low | 32.7 | Very low | 239 Ų | 239 | 129.3 Ų | 129.3 | 94% | 0.937 | 70% | 0.697 | S | S | * | * | trans | -156.5 | 75.5 | 158.5 | -103.4 | -74.2 | 0 | 0 | 0 | 110.7 | ||||
| 467 | E | 28.7 | Very low | 32.6 | Very low | 190 Ų | 190 | 132.7 Ų | 132.7 | 89% | 0.888 | 71% | 0.709 | S | S | * | * | trans | -94.3 | 136.1 | 158.5 | -97.9 | -166.6 | 156.6 | 0 | 0 | 109.4 | ||||
| 468 | P | 32.1 | Very low | 32.5 | Very low | 113 Ų | 113 | 132.5 Ų | 132.5 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -74 | 137.3 | -179.1 | 30.7 | -34 | 0 | 0 | 0 | 111 | D470 | P468-D470 PolarHBondContact O-N 3Š| ||
| 469 | A | 31.6 | Very low | 32.2 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 90% | 0.901 | 74% | 0.736 | S | S | * | * | trans | -75.1 | 82.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 470 | D | 33.2 | Very low | 32 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 85% | 0.845 | 75% | 0.749 | S | S | * | * | trans | -87.2 | 123.1 | 161.3 | -103.7 | -33.2 | 0 | 0 | 0 | 110.4 | P468 H472 | P468-D470 PolarHBondContact O-N 3Å; D470-H472 PolarHBondContact O-N 3Å | ||
| 471 | M | 31 | Very low | 32 | Very low | 167 Ų | 167 | 141.1 Ų | 141.1 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | trans | -68.3 | 128.5 | 173 | -67.5 | 178.4 | -78.6 | 0 | 0 | 110 | ||||
| 472 | H | 31.6 | Very low | 32 | Very low | 163 Ų | 163 | 142.7 Ų | 142.7 | 76% | 0.755 | 76% | 0.76 | S | S | * | * | 178.6 | 117.5 | 117.5 | -104.9 | -91.8 | 0 | 0 | 0 | 114.3 | D470 | D470-H472 PolarHBondContact O-N 3Š| |||
| 473 | I | 31.5 | Very low | 31.6 | Very low | 135 Ų | 135 | 143.4 Ų | 143.4 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 64.7 | 95.2 | 136.3 | -62.8 | -174.9 | 0 | 0 | 0 | 119.1 | ||||
| 474 | S | 28.7 | Very low | 31.5 | Very low | 92 Ų | 92 | 148 Ų | 148 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | 83.3 | 106.7 | 119 | -59 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 475 | I | 29.5 | Very low | 31.5 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 80.8 | 139.1 | 115.5 | -73.6 | 166 | 0 | 0 | 0 | 118.2 | |||||
| 476 | P | 33.5 | Very low | 31.6 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | -139.6 | -151.2 | -102.9 | 35.5 | -10.6 | 0 | 0 | 0 | 114.2 | |||||
| 477 | Q | 33.1 | Very low | 31.7 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | trans | 80.3 | 143.3 | 168.5 | -57 | 179.7 | -24.1 | 0 | 0 | 115.5 | ||||
| 478 | S | 34.5 | Very low | 32.1 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 69% | 0.692 | 76% | 0.756 | S | S | * | * | cis | -157.9 | 153.6 | 12.7 | 51.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 479 | D | 34.2 | Very low | 32.1 | Very low | 138 Ų | 138 | 136 Ų | 136 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 68.9 | 98.5 | 139.1 | -63.5 | -1.6 | 0 | 0 | 0 | 124.5 | ||||
| 480 | L | 31.3 | Very low | 32.2 | Very low | 147 Ų | 147 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | 60.8 | 112.1 | 105.9 | -77.5 | 157.9 | 0 | 0 | 0 | 122.4 | |||||
| 481 | S | 32.2 | Very low | 32.2 | Very low | 85 Ų | 85 | 140 Ų | 140 | 59% | 0.594 | 74% | 0.741 | S | S | * | * | 87 | 121 | 122.2 | 83 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 482 | K | 35 | Very low | 32.2 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | 169.9 | 125.7 | 97.4 | -96.4 | 162.7 | -169.8 | 170.1 | 0 | 114.8 | |||||
| 483 | N | 31.4 | Very low | 32 | Very low | 132 Ų | 132 | 136.5 Ų | 136.5 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | trans | 59.2 | 122.1 | 131.3 | -70.4 | -6.8 | 0 | 0 | 0 | 122.3 | ||||
| 484 | R | 30.7 | Very low | 32.1 | Very low | 227 Ų | 227 | 137 Ų | 137 | 86% | 0.857 | 74% | 0.744 | S | S | * | * | 46.2 | 138.3 | 111.9 | -71.2 | -175.3 | 176.6 | -162.9 | -0.8 | 117.9 | |||||
| 485 | S | 30.1 | Very low | 32.2 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | cis | 175.6 | -176.4 | 10.5 | 41.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 486 | I | 31.9 | Very low | 32.5 | Very low | 146 Ų | 146 | 139.5 Ų | 139.5 | 75% | 0.749 | 75% | 0.748 | S | S | * | * | trans | 96.7 | 88.3 | 159 | -53.9 | 154.6 | 0 | 0 | 0 | 115.8 | ||||
| 487 | S | 29.5 | Very low | 32.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | 50.2 | 154.6 | 102.3 | -43.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 488 | P | 37.3 | Very low | 32.2 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 83% | 0.831 | 75% | 0.745 | S | S | * | * | trans | -119.7 | -179.2 | -138.7 | 42 | -31.6 | 0 | 0 | 0 | 115.2 | ||||
| 489 | S | 32.5 | Very low | 32 | Very low | 103 Ų | 103 | 137 Ų | 137 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | trans | -156.4 | 133.2 | 163.6 | 73.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 490 | K | 32.7 | Very low | 32.1 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | 82.1 | 128.9 | 127.2 | -82.6 | 174.5 | 170.8 | -177.3 | 0 | 123.4 | |||||
| 491 | Y | 33.3 | Very low | 32 | Very low | 179 Ų | 179 | 133.3 Ų | 133.3 | 70% | 0.702 | 74% | 0.743 | S | S | * | * | trans | 93.3 | 131.1 | 131.4 | -81.8 | -55.5 | 0 | 0 | 0 | 123.3 | ||||
| 492 | E | 32.3 | Very low | 32 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 71% | 0.71 | 75% | 0.746 | S | S | * | * | trans | 73.3 | 96.2 | 139.9 | -82.2 | 157.6 | 164.6 | 0 | 0 | 122 | ||||
| 493 | S | 28 | Very low | 31.8 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | -2 | 133.5 | 127.5 | 55.9 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 494 | T | 33.4 | Very low | 31.7 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | -159.1 | 133.7 | 129.3 | 6.7 | 0 | 0 | 0 | 0 | 113 | |||||
| 495 | K | 30.3 | Very low | 31.7 | Very low | 196 Ų | 196 | 126 Ų | 126 | 85% | 0.852 | 73% | 0.734 | S | S | * | * | trans | -65.6 | 166 | 160 | -94.3 | 178.2 | -179.8 | 177.1 | 0 | 109.5 | ||||
| 496 | P | 34.4 | Very low | 31.7 | Very low | 111 Ų | 111 | 127.2 Ų | 127.2 | 72% | 0.721 | 73% | 0.733 | S | S | * | * | cis | -156.1 | 176.4 | 43.8 | 46 | -24.8 | 0 | 0 | 0 | 120.2 | ||||
| 497 | S | 28.3 | Very low | 31.8 | Very low | 93 Ų | 93 | 128.2 Ų | 128.2 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | 1.3 | 140.6 | 149.6 | 62.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 498 | T | 33.8 | Very low | 31.8 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | -171.8 | 140.1 | 83.9 | 31.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 499 | S | 28.8 | Very low | 31.5 | Very low | 108 Ų | 108 | 125.9 Ų | 125.9 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -64 | 170.2 | 157.9 | 42.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 500 | P | 37.3 | Very low | 31.5 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 73% | 0.728 | S | S | * | * | cis | -152.4 | 171 | 33.7 | 43.2 | -21.4 | 0 | 0 | 0 | 120.1 | ||||
| 501 | S | 29 | Very low | 31.5 | Very low | 100 Ų | 100 | 125 Ų | 125 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | 60.3 | 142.9 | 135.8 | 67.1 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 502 | S | 32 | Very low | 31.5 | Very low | 96 Ų | 96 | 123.8 Ų | 123.8 | 67% | 0.671 | 73% | 0.73 | S | S | * | * | 115.1 | 99.7 | 129.5 | 74.6 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 503 | T | 30.9 | Very low | 31.9 | Very low | 115 Ų | 115 | 122.9 Ų | 122.9 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | 72.2 | 119.5 | 123.9 | 54.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 504 | L | 30.3 | Very low | 32.6 | Very low | 141 Ų | 141 | 122.6 Ų | 122.6 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | 77.9 | 108.9 | 125.2 | -64.6 | 169.3 | 0 | 0 | 0 | 118.6 | |||||
| 505 | N | 29.9 | Very low | 32.8 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | 80.6 | 114.6 | 121.4 | -76.8 | 47.1 | 0 | 0 | 0 | 121.1 | |||||
| 506 | D | 29 | Very low | 33.1 | Very low | 119 Ų | 119 | 116.9 Ų | 116.9 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | 88.7 | 147.9 | 124.2 | -58.4 | -22.9 | 0 | 0 | 0 | 120.8 | |||||
| 507 | H | 34.2 | Very low | 33.2 | Very low | 166 Ų | 166 | 118 Ų | 118 | 77% | 0.769 | 71% | 0.705 | S | S | * | * | trans | 78 | 79.3 | 163.3 | -55.5 | -52.5 | 0 | 0 | 0 | 118.6 | ||||
| 508 | S | 30.1 | Very low | 33.5 | Very low | 102 Ų | 102 | 119.7 Ų | 119.7 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | 44.9 | 115.3 | 116.4 | 63.8 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 509 | A | 31.2 | Very low | 33.6 | Very low | 87 Ų | 87 | 119 Ų | 119 | 72% | 0.719 | 70% | 0.698 | S | S | * | * | 86.3 | 128.4 | 125 | 0 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 510 | I | 31.9 | Very low | 34.1 | Very low | 147 Ų | 147 | 120.7 Ų | 120.7 | 75% | 0.754 | 69% | 0.694 | S | S | * | * | trans | 91.6 | 106.1 | 132.1 | -76.9 | 169 | 0 | 0 | 0 | 118.9 | ||||
| 511 | T | 33.1 | Very low | 34 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 66% | 0.663 | 70% | 0.697 | S | S | * | * | trans | 62.4 | 130.3 | 140.6 | 63.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 512 | N | 33.9 | Very low | 34.2 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 70% | 0.699 | S | S | * | * | -136.8 | 133.2 | 103.4 | -69.4 | -70.4 | 0 | 0 | 0 | 105.7 | |||||
| 513 | D | 39.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 124.7 Ų | 124.7 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | 63.6 | 136.7 | 52.5 | -147.2 | 29.3 | 0 | 0 | 0 | 110.7 | |||||
| 514 | P | 43.3 | Very low | 34 | Very low | 97 Ų | 97 | 126 Ų | 126 | 63% | 0.63 | 70% | 0.703 | S | S | * | * | -154.8 | 167.8 | 76.9 | 42.5 | -23.1 | 0 | 0 | 0 | 119 | |||||
| 515 | N | 38.2 | Very low | 33.8 | Very low | 136 Ų | 136 | 124 Ų | 124 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 91.4 | 135.8 | 142.9 | -71.8 | -37 | 0 | 0 | 0 | 120.6 | ||||
| 516 | S | 36.7 | Very low | 33.7 | Very low | 86 Ų | 86 | 124.3 Ų | 124.3 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | cis | -172.9 | 154.9 | -17.2 | -127.4 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 517 | L | 35.9 | Very low | 33.8 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 71% | 0.707 | 71% | 0.712 | S | S | * | * | trans | 74.5 | 102.6 | 146.5 | -65.7 | 158.7 | 0 | 0 | 0 | 122.2 | ||||
| 518 | N | 35.6 | Very low | 33.7 | Very low | 128 Ų | 128 | 122.6 Ų | 122.6 | 68% | 0.684 | 71% | 0.708 | S | S | * | * | 94.7 | 123.4 | 115 | -78.8 | 6.8 | 0 | 0 | 0 | 124.6 | |||||
| 519 | N | 36.1 | Very low | 34 | Very low | 118 Ų | 118 | 123.6 Ų | 123.6 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | 98.9 | 97.9 | 129.2 | -71 | 1.7 | 0 | 0 | 0 | 122.5 | |||||
| 520 | H | 37.8 | Very low | 34 | Very low | 144 Ų | 144 | 122.3 Ų | 122.3 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | 75.2 | 117.1 | 124.7 | -71.2 | -61.1 | 0 | 0 | 0 | 122.7 | |||||
| 521 | H | 36.5 | Very low | 34 | Very low | 163 Ų | 163 | 122.8 Ų | 122.8 | 76% | 0.755 | 69% | 0.692 | S | S | * | * | trans | 46.4 | 106.8 | 135.2 | -59.7 | -54.4 | 0 | 0 | 0 | 119.4 | ||||
| 522 | S | 32 | Very low | 33.9 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | 175.2 | 122.9 | 90.7 | -74.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 523 | V | 31.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 71% | 0.709 | 69% | 0.686 | S | S | * | * | 50.4 | 113.1 | 125.1 | -170.6 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 524 | N | 27.4 | Very low | 33.5 | Very low | 143 Ų | 143 | 120.1 Ų | 120.1 | 77% | 0.765 | 68% | 0.678 | S | S | * | * | trans | 65.1 | 163.4 | 154.8 | -63.8 | -10 | 0 | 0 | 0 | 118.1 | ||||
| 525 | S | 26.4 | Very low | 32.9 | Very low | 99 Ų | 99 | 125.7 Ų | 125.7 | 69% | 0.692 | 69% | 0.687 | S | S | * | * | trans | 70.8 | 111.2 | 176.3 | -9.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 526 | T | 27.2 | Very low | 32.5 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 74% | 0.742 | 68% | 0.682 | S | S | * | * | 38.5 | 110 | 91.3 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 527 | T | 31.5 | Very low | 32.1 | Very low | 120 Ų | 120 | 125.9 Ų | 125.9 | 74% | 0.736 | 69% | 0.689 | S | S | * | * | 177.3 | 123.2 | 95.9 | 39.4 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 528 | N | 31.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | 5.6 | 142.1 | 122 | -81.5 | 0.4 | 0 | 0 | 0 | 116.3 | T530 | N528-T530 HydrophobicContact CB-CG2 3.45Å; N528-T530 VanDerWaalsContact CB-CG2 3.45Å | |||
| 529 | P | 37 | Very low | 31.3 | Very low | 123 Ų | 123 | 123 Ų | 123 | 80% | 0.799 | 69% | 0.69 | S | S | * | * | -94.4 | 113.6 | 105.6 | 23.8 | -32 | 0 | 0 | 0 | 108.6 | |||||
| 530 | T | 31.7 | Very low | 31 | Very low | 60 Ų | 60 | 124.2 Ų | 124.2 | 37% | 0.368 | 70% | 0.695 | S | S | . | * | 56.9 | 135.3 | 51.4 | 84.6 | 0 | 0 | 0 | 0 | 109.6 | N528 | N528-T530 HydrophobicContact CB-CG2 3.45Å; N528-T530 VanDerWaalsContact CB-CG2 3.45Å | |||
| 531 | K | 30.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 122.4 Ų | 122.4 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | cis | -156.9 | 148.1 | 33.4 | -110.6 | 125.2 | -161.6 | 172.7 | 0 | 104.4 | L533 | K531-L533 HydrophobicContact CG-CD1 3.59Š| ||
| 532 | N | 31 | Very low | 30.6 | Very low | 136 Ų | 136 | 120 Ų | 120 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | cis | -140.4 | 138.8 | 26.5 | -83.6 | -63.2 | 0 | 0 | 0 | 110.1 | ||||
| 533 | L | 32.8 | Very low | 30.8 | Very low | 122 Ų | 122 | 120 Ų | 120 | 64% | 0.639 | 69% | 0.689 | S | S | * | * | 74.4 | 144.5 | 67.7 | -96.6 | 106.5 | 0 | 0 | 0 | 112.3 | K531 | K531-L533 HydrophobicContact CG-CD1 3.59Š| |||
| 534 | P | 32.8 | Very low | 30.9 | Very low | 82 Ų | 82 | 118.4 Ų | 118.4 | 53% | 0.532 | 68% | 0.683 | S | S | . | * | -145.9 | -147.4 | -85.7 | 35.8 | -12.4 | 0 | 0 | 0 | 110.9 | |||||
| 535 | Y | 30.9 | Very low | 31.2 | Very low | 213 Ų | 213 | 116 Ų | 116 | 84% | 0.835 | 67% | 0.671 | S | S | * | * | trans | 37.4 | 131.1 | 139.7 | -60.9 | -37 | 0 | 0 | 0 | 118.7 | ||||
| 536 | S | 29.5 | Very low | 31.6 | Very low | 87 Ų | 87 | 115.4 Ų | 115.4 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | cis | 172.7 | 160.5 | 7.8 | 45.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 537 | N | 27.6 | Very low | 31.8 | Very low | 139 Ų | 139 | 115.8 Ų | 115.8 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | trans | 55.8 | 134.8 | 146.4 | -65.6 | -11.9 | 0 | 0 | 0 | 119.1 | ||||
| 538 | S | 28.3 | Very low | 31.8 | Very low | 102 Ų | 102 | 113.3 Ų | 113.3 | 71% | 0.713 | 66% | 0.658 | S | S | * | * | trans | 56.1 | 105.9 | 142 | 63.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 539 | S | 27.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 114.1 Ų | 114.1 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | 77.7 | 122.6 | 121.7 | -53.7 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 540 | I | 29.9 | Very low | 31.7 | Very low | 142 Ų | 142 | 114.8 Ų | 114.8 | 73% | 0.728 | 66% | 0.659 | S | S | * | * | trans | 83 | 111 | 142.1 | -60.2 | 160.2 | 0 | 0 | 0 | 116.5 | ||||
| 541 | N | 32.4 | Very low | 31.7 | Very low | 106 Ų | 106 | 118.4 Ų | 118.4 | 57% | 0.567 | 68% | 0.676 | S | S | * | * | trans | 67.9 | 106.2 | 149.8 | -57.9 | -9.3 | 0 | 0 | 0 | 120.6 | ||||
| 542 | S | 33.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 115.2 Ų | 115.2 | 78% | 0.783 | 67% | 0.674 | S | S | * | * | 11.9 | 159 | 116.2 | -46.1 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 543 | P | 36.3 | Very low | 32 | Very low | 106 Ų | 106 | 113.1 Ų | 113.1 | 69% | 0.688 | 67% | 0.67 | S | S | * | * | cis | -140.6 | -162.3 | -35.9 | 38.9 | -19.8 | 0 | 0 | 0 | 112.6 | ||||
| 544 | S | 33.6 | Very low | 32.1 | Very low | 85 Ų | 85 | 117 Ų | 117 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | trans | 96 | 119.1 | 148.7 | 80.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 545 | N | 33.5 | Very low | 32.2 | Very low | 93 Ų | 93 | 118.3 Ų | 118.3 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | 97.4 | 123.8 | 116 | -89.6 | 13 | 0 | 0 | 0 | 126.1 | S695 L696 | N545-S695 VanDerWaalsContact CG-CB 3.5Å; N545-S695 VanDerWaalsContact CG-OG 3.27Å; N545-S695 VanDerWaalsContact ND2-CB 3.34Å; N545-S695 WeakPolarHBondContact ND2-CB 3.43Å; N545-S695 PolarHBondContact ND2-OG 2.96Å; N545-S695 WeakPolarHBondContact OD1-CB 3.4Å; N545-S695 PolarHBondContact OD1-OG 2.92Å; N545-L696 WeakPolarHBondContact OD1-CD1 3.32Å | |||
| 546 | V | 34.1 | Very low | 32.4 | Very low | 86 Ų | 86 | 112.6 Ų | 112.6 | 52% | 0.521 | 68% | 0.675 | S | S | . | * | 93.9 | 114.3 | 124.9 | 165.2 | 0 | 0 | 0 | 0 | 119.3 | S695 | V546-S695 VanDerWaalsContact CG2-OG 3.29Å; V546-S695 WeakPolarHBondContact CG2-OG 3.35Å | |||
| 547 | N | 31.4 | Very low | 32.9 | Very low | 128 Ų | 128 | 113.8 Ų | 113.8 | 68% | 0.684 | 68% | 0.68 | S | S | * | * | trans | 45.6 | 130.1 | 145.3 | -60.7 | -16.2 | 0 | 0 | 0 | 120.8 | S694 | N547-S694 PolarHBondContact OD1-OG 3.5Å; N547-S694 VanDerWaalsContact OD1-OG 3.13Å | ||
| 548 | G | 32 | Very low | 33.1 | Very low | 68 Ų | 68 | 112.7 Ų | 112.7 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | 151.1 | 100 | 116.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 549 | N | 31.1 | Very low | 33.4 | Very low | 147 Ų | 147 | 115.5 Ų | 115.5 | 79% | 0.786 | 68% | 0.676 | S | S | * | * | 74.3 | 154.4 | 124.8 | -141.2 | 17 | 0 | 0 | 0 | 119.1 | |||||
| 550 | L | 34.7 | Very low | 33.6 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | trans | 69.8 | 142.3 | 160 | -60.1 | 158 | 0 | 0 | 0 | 116.6 | ||||
| 551 | D | 32.1 | Very low | 33.8 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 73% | 0.727 | 67% | 0.668 | S | S | * | * | cis | -168.3 | -178.6 | -17.8 | -148.9 | -23.7 | 0 | 0 | 0 | 108.1 | ||||
| 552 | S | 35 | Very low | 33.7 | Very low | 91 Ų | 91 | 116.1 Ų | 116.1 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | trans | 61.9 | 100.5 | 159.8 | 62.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 553 | S | 32.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 117.1 Ų | 117.1 | 64% | 0.643 | 67% | 0.668 | S | S | * | * | 72.6 | 122.3 | 76.9 | 75.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 554 | Y | 35.6 | Very low | 33.3 | Very low | 203 Ų | 203 | 116.1 Ų | 116.1 | 80% | 0.796 | 66% | 0.663 | S | S | * | * | -170.2 | 118.3 | 102.2 | -107.1 | -78.3 | 0 | 0 | 0 | 112.2 | |||||
| 555 | T | 34.6 | Very low | 33.2 | Very low | 110 Ų | 110 | 118 Ų | 118 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | trans | 48.7 | 117.5 | 149.1 | 50.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 556 | S | 35.4 | Very low | 33 | Very low | 93 Ų | 93 | 118.2 Ų | 118.2 | 65% | 0.65 | 68% | 0.68 | S | S | * | * | 65.4 | 152.5 | 53.5 | -49.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 557 | P | 39.7 | Very low | 32.7 | Very low | 111 Ų | 111 | 119.5 Ų | 119.5 | 72% | 0.721 | 69% | 0.693 | S | S | * | * | cis | -123.1 | 146 | 16.9 | 27.3 | -4.7 | 0 | 0 | 0 | 114.5 | ||||
| 558 | N | 31.6 | Very low | 32.8 | Very low | 117 Ų | 117 | 117.1 Ų | 117.1 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | 54.7 | 127.4 | 72.6 | -62 | -19.9 | 0 | 0 | 0 | 113.7 | I560 | N558-I560 HydrophobicContact CB-CD1 4.47Š| |||
| 559 | H | 35.5 | Very low | 32.7 | Very low | 160 Ų | 160 | 122.2 Ų | 122.2 | 74% | 0.741 | 70% | 0.696 | S | S | * | * | -156.8 | 118.2 | 113.7 | -102.3 | -86.7 | 0 | 0 | 0 | 107.1 | |||||
| 560 | I | 32.2 | Very low | 32.7 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 55% | 0.549 | 70% | 0.697 | S | S | . | * | 67.5 | 110.3 | 75.2 | -70.6 | 163.4 | 0 | 0 | 0 | 107.2 | N558 | N558-I560 HydrophobicContact CB-CD1 4.47Š| |||
| 561 | N | 33.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 119 Ų | 119 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | cis | -169.1 | 178 | 40.9 | -104 | -4.5 | 0 | 0 | 0 | 110.3 | ||||
| 562 | D | 30.2 | Very low | 32.4 | Very low | 120 Ų | 120 | 120.2 Ų | 120.2 | 64% | 0.642 | 70% | 0.703 | S | S | * | * | cis | 156.9 | 163.9 | -17.9 | -163.1 | 8.6 | 0 | 0 | 0 | 106.5 | ||||
| 563 | L | 33.5 | Very low | 32.2 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | trans | 59 | 112.7 | 174.4 | -78.6 | 74.6 | 0 | 0 | 0 | 117.4 | ||||
| 564 | S | 28.1 | Very low | 32.3 | Very low | 86 Ų | 86 | 121.7 Ų | 121.7 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | 80 | 156.9 | 59 | 84.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 565 | T | 31.7 | Very low | 32.2 | Very low | 123 Ų | 123 | 117.8 Ų | 117.8 | 76% | 0.755 | 70% | 0.697 | S | S | * | * | trans | 66 | 108.4 | 170 | 60.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 566 | S | 28.5 | Very low | 32 | Very low | 98 Ų | 98 | 118.2 Ų | 118.2 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | cis | 106.9 | 134.3 | 47.5 | 64.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 567 | S | 28.2 | Very low | 31.8 | Very low | 113 Ų | 113 | 119.3 Ų | 119.3 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | trans | 75.6 | 145.7 | 150.7 | 76.5 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 568 | A | 32.1 | Very low | 31.4 | Very low | 79 Ų | 79 | 118.4 Ų | 118.4 | 65% | 0.653 | 71% | 0.709 | S | S | * | * | trans | 83.9 | 104.1 | 150.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 569 | H | 30.9 | Very low | 31.2 | Very low | 174 Ų | 174 | 118.6 Ų | 118.6 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | 30.4 | 113.4 | 119.7 | -53.5 | -76.6 | 0 | 0 | 0 | 117.9 | |||||
| 570 | S | 31.3 | Very low | 31 | Very low | 114 Ų | 114 | 116.7 Ų | 116.7 | 80% | 0.797 | 72% | 0.719 | S | S | * | * | -172.7 | 133 | 106 | 56.2 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 571 | S | 28.4 | Very low | 30.8 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 71% | 0.713 | 73% | 0.729 | S | S | * | * | trans | -40.2 | 139 | 152 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 572 | L | 31.3 | Very low | 30.7 | Very low | 163 Ų | 163 | 119.5 Ų | 119.5 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | -170.3 | 145.3 | 126.2 | -100.8 | 157.5 | 0 | 0 | 0 | 111.8 | |||||
| 573 | S | 30.5 | Very low | 30.6 | Very low | 56 Ų | 56 | 121.1 Ų | 121.1 | 39% | 0.392 | 73% | 0.727 | S | S | . | * | trans | -90.5 | 148.3 | -174.5 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | K672 | S573-K672 VanDerWaalsContact OG-CE 3.26Å; S573-K672 WeakPolarHBondContact OG-CE 3.29Å; S573-K672 PolarHBondContact OG-NZ 2.9Å | ||
| 574 | M | 34.9 | Very low | 30.5 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | 53.7 | 140.2 | 134.1 | -71.4 | -72.8 | 166 | 0 | 0 | 118.7 | T576 | M574-T576 HydrophobicContact SD-CG2 4.39Š| ||
| 575 | P | 34 | Very low | 30.5 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | -134.6 | 144.2 | 83.1 | 35.5 | -22.7 | 0 | 0 | 0 | 116.4 | |||||
| 576 | T | 29.5 | Very low | 30.5 | Very low | 120 Ų | 120 | 123.2 Ų | 123.2 | 74% | 0.736 | 75% | 0.745 | S | S | * | * | trans | -45.4 | 134.5 | 153.1 | 49.2 | 0 | 0 | 0 | 0 | 114.8 | M574 | M574-T576 HydrophobicContact SD-CG2 4.39Š| ||
| 577 | S | 32.1 | Very low | 30.5 | Very low | 115 Ų | 115 | 124 Ų | 124 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | trans | 170.4 | 144.8 | 147.2 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 578 | A | 30.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 125.2 Ų | 125.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | -164 | 168.8 | -13.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 579 | S | 28.3 | Very low | 30.9 | Very low | 120 Ų | 120 | 130.3 Ų | 130.3 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -54.2 | 141.4 | 171.9 | -46.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 580 | T | 31.7 | Very low | 31.4 | Very low | 120 Ų | 120 | 126.4 Ų | 126.4 | 74% | 0.736 | 75% | 0.751 | S | S | * | * | trans | -142.4 | 99.7 | 154.1 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | V582 | T580-V582 HydrophobicContact CG2-CG2 3.77Å; T580-V582 PolarHBondContact O-N 3.02Å | ||
| 581 | R | 26.6 | Very low | 31.5 | Very low | 203 Ų | 203 | 127.2 Ų | 127.2 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | trans | -62.2 | 110.6 | 158 | 173.1 | -171.6 | -172.5 | 171.6 | 6.5 | 108.5 | H583 | R581-H583 PolarHBondContact NE-CD2 3.09Å; R581-H583 PolarHBondContact NE-NE2 3.38Å; R581-H583 PolarHBondContact NH2-NE2 2.73Å | ||
| 582 | V | 32.5 | Very low | 31.8 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 60% | 0.6 | 75% | 0.75 | S | S | * | * | trans | -100.6 | 97.7 | 171.3 | -174 | 0 | 0 | 0 | 0 | 109.5 | T580 F584 | T580-V582 HydrophobicContact CG2-CG2 3.77Å; T580-V582 PolarHBondContact O-N 3.02Å; V582-F584 HydrophobicContact CG1-CD2 3.78Å; V582-F584 HydrophobicContact CG1-CE2 3.61Å; V582-F584 HydrophobicContact CG1-CZ 4.37Å | ||
| 583 | H | 27.3 | Very low | 31.8 | Very low | 154 Ų | 154 | 128.9 Ų | 128.9 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | -68.6 | 127.1 | 156.3 | -94.6 | -84.7 | 0 | 0 | 0 | 108.4 | R581 | R581-H583 PolarHBondContact NE-CD2 3.09Å; R581-H583 PolarHBondContact NE-NE2 3.38Å; R581-H583 PolarHBondContact NH2-NE2 2.73Å | ||
| 584 | F | 31.9 | Very low | 32 | Very low | 200 Ų | 200 | 130.8 Ų | 130.8 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | -100.1 | 97.3 | 151.9 | -86.6 | -77.5 | 0 | 0 | 0 | 108.8 | V582 | V582-F584 HydrophobicContact CG1-CD2 3.78Å; V582-F584 HydrophobicContact CG1-CE2 3.61Å; V582-F584 HydrophobicContact CG1-CZ 4.37Å | ||
| 585 | S | 27.9 | Very low | 31.9 | Very low | 106 Ų | 106 | 131 Ų | 131 | 74% | 0.741 | 74% | 0.743 | S | S | * | * | trans | -113.4 | 126.3 | 161.2 | 53.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 586 | G | 32.4 | Very low | 31.8 | Very low | 80 Ų | 80 | 130.5 Ų | 130.5 | 83% | 0.825 | 74% | 0.742 | S | S | * | * | trans | -166.9 | 79 | -171 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 587 | S | 29 | Very low | 31.9 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -79.9 | 136.1 | -172.9 | -38.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 588 | V | 34.5 | Very low | 31.9 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 84% | 0.842 | 74% | 0.736 | S | S | * | * | trans | -150.5 | 109.8 | 146.4 | -168.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 589 | K | 34 | Very low | 32 | Very low | 186 Ų | 186 | 131.8 Ų | 131.8 | 81% | 0.809 | 74% | 0.738 | S | S | * | * | 71.2 | 147.7 | 65.2 | -87.9 | -163.7 | 172.5 | -169.2 | 0 | 115.3 | |||||
| 590 | P | 39.9 | Very low | 32.1 | Very low | 92 Ų | 92 | 129.2 Ų | 129.2 | 60% | 0.597 | 73% | 0.731 | S | S | * | * | -141.9 | -159.8 | -53.1 | 31.1 | -6.7 | 0 | 0 | 0 | 112.5 | |||||
| 591 | D | 34 | Very low | 32.2 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | 105 | 124.4 | 144 | -62.4 | -24.4 | 0 | 0 | 0 | 121.6 | ||||
| 592 | E | 34.3 | Very low | 32.6 | Very low | 167 Ų | 167 | 128 Ų | 128 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | trans | 69 | 140.1 | 140.2 | -72 | -169.4 | 171.8 | 0 | 0 | 121.2 | ||||
| 593 | M | 31.9 | Very low | 32.6 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 65% | 0.65 | 75% | 0.747 | S | S | * | * | cis | -163.3 | 167.7 | -16 | -134.6 | 169.4 | 57.8 | 0 | 0 | 110.5 | ||||
| 594 | D | 35.6 | Very low | 33 | Very low | 97 Ų | 97 | 132.4 Ų | 132.4 | 52% | 0.519 | 75% | 0.753 | S | S | . | * | trans | 76 | 109.8 | 153.5 | -75.9 | 15.2 | 0 | 0 | 0 | 119.7 | ||||
| 595 | K | 32.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 71% | 0.709 | 76% | 0.755 | S | S | * | * | 80.4 | 138.1 | 78.6 | -77.8 | -175.4 | -160.9 | 101.4 | 0 | 111.3 | |||||
| 596 | S | 30.7 | Very low | 33.2 | Very low | 109 Ų | 109 | 137.4 Ų | 137.4 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | cis | -173.2 | 138.7 | 3.9 | 45.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 597 | G | 32.7 | Very low | 33.4 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | 75 | 169.9 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 598 | S | 32.7 | Very low | 33.5 | Very low | 94 Ų | 94 | 144.8 Ų | 144.8 | 66% | 0.657 | 76% | 0.757 | S | S | * | * | cis | -171.5 | 140.6 | -4.3 | -135.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 599 | K | 32.3 | Very low | 33.3 | Very low | 187 Ų | 187 | 143.2 Ų | 143.2 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | 70 | 139.6 | 153.8 | -53.6 | 151.8 | -173.1 | 174.2 | 0 | 118 | ||||
| 600 | G | 31.2 | Very low | 33 | Very low | 67 Ų | 67 | 139.7 Ų | 139.7 | 69% | 0.691 | 75% | 0.75 | S | S | * | * | cis | 142 | 174.1 | -12.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 601 | F | 32.2 | Very low | 32.4 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | 78 | 152.9 | 160.4 | -68.6 | -96 | 0 | 0 | 0 | 119.9 | ||||
| 602 | P | 36.3 | Very low | 32.1 | Very low | 110 Ų | 110 | 147.6 Ų | 147.6 | 71% | 0.714 | 77% | 0.768 | S | S | * | * | cis | -147.1 | 172.4 | -45.2 | 40.1 | -22.5 | 0 | 0 | 0 | 117.2 | ||||
| 603 | K | 32.6 | Very low | 31.7 | Very low | 206 Ų | 206 | 143.2 Ų | 143.2 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -81.7 | 151 | 165.6 | -63.7 | 172.9 | 177.7 | 171.6 | 0 | 113.4 | ||||
| 604 | T | 34.4 | Very low | 31.4 | Very low | 138 Ų | 138 | 142.6 Ų | 142.6 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | trans | -151.5 | 172.7 | 158.4 | 58.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 605 | R | 28.6 | Very low | 30.9 | Very low | 244 Ų | 244 | 144.2 Ų | 144.2 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | -155.2 | 147.2 | -71.9 | -143.9 | -178.8 | -171.5 | -166.7 | 5.4 | 111.1 | |||||
| 606 | H | 35 | Very low | 30.7 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | trans | -43.9 | 164.2 | 168.8 | -81.4 | -61.4 | 0 | 0 | 0 | 117.8 | ||||
| 607 | P | 37.4 | Very low | 30.5 | Very low | 114 Ų | 114 | 145.1 Ų | 145.1 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | -156.6 | 148.5 | 91.2 | 39.4 | -18.7 | 0 | 0 | 0 | 121.2 | |||||
| 608 | R | 31.3 | Very low | 30.2 | Very low | 237 Ų | 237 | 148.3 Ų | 148.3 | 89% | 0.894 | 77% | 0.771 | S | S | * | * | trans | 16.4 | 143.8 | 130.6 | -49.1 | 172.6 | 173.2 | 177.4 | -3.9 | 118.9 | ||||
| 609 | S | 30.4 | Very low | 30 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | 173.3 | 152.2 | 60.8 | 63.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 610 | C | 26.7 | Very low | 29.8 | Very low | 112 Ų | 112 | 147 Ų | 147 | 76% | 0.757 | 77% | 0.772 | S | S | * | * | trans | 46.2 | 126.8 | 134.7 | -63.3 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 611 | K | 28.9 | Very low | 29.9 | Very low | 188 Ų | 188 | 146.9 Ų | 146.9 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | 82.1 | 132 | 128 | -79 | 179.3 | 174.8 | 173.8 | 0 | 123.2 | |||||
| 612 | K | 26.1 | Very low | 29.9 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 66.4 | 157.9 | 151.7 | -72.6 | -174.1 | 171.7 | -170.8 | 0 | 116.7 | ||||
| 613 | A | 27.2 | Very low | 29.8 | Very low | 75 Ų | 75 | 146.4 Ų | 146.4 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | cis | -172 | 174.8 | -26.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 614 | T | 26.1 | Very low | 30 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | 61.5 | 116.9 | 156.8 | 50.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 615 | D | 25.2 | Very low | 29.9 | Very low | 131 Ų | 131 | 141.1 Ų | 141.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | 70.8 | 116.4 | 121.1 | -58 | -18.4 | 0 | 0 | 0 | 123 | |||||
| 616 | N | 26.4 | Very low | 30.3 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | 78.3 | 139.1 | 125 | -71.6 | -33.3 | 0 | 0 | 0 | 122.4 | |||||
| 617 | H | 28 | Very low | 30.2 | Very low | 159 Ų | 159 | 133.6 Ų | 133.6 | 74% | 0.736 | 73% | 0.733 | S | S | * | * | trans | 85.3 | 112.5 | 144 | -82.9 | -49.4 | 0 | 0 | 0 | 121.3 | ||||
| 618 | L | 25.4 | Very low | 29.9 | Very low | 140 Ų | 140 | 133.2 Ų | 133.2 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | 99.6 | 140.2 | 118.7 | -89.2 | 162.8 | 0 | 0 | 0 | 120.6 | |||||
| 619 | I | 29.1 | Very low | 30.1 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | trans | 90.4 | 78.2 | 155.6 | -60.1 | 147.4 | 0 | 0 | 0 | 117.8 | ||||
| 620 | S | 27.5 | Very low | 30.3 | Very low | 112 Ų | 112 | 132.5 Ų | 132.5 | 78% | 0.783 | 73% | 0.731 | S | S | * | * | 31.6 | 137.1 | 118.3 | 67.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 621 | G | 33.8 | Very low | 30.7 | Very low | 65 Ų | 65 | 130.4 Ų | 130.4 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | trans | 163.6 | 105.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 622 | K | 31.4 | Very low | 31 | Very low | 173 Ų | 173 | 127.8 Ų | 127.8 | 75% | 0.752 | 72% | 0.717 | S | S | * | * | 63.5 | 132.2 | 70.3 | -69.3 | -167.1 | 111.2 | -84.2 | 0 | 112 | |||||
| 623 | D | 33.8 | Very low | 31.5 | Very low | 115 Ų | 115 | 126.9 Ų | 126.9 | 62% | 0.615 | 71% | 0.713 | S | S | * | * | cis | -136.8 | -167.3 | -10.9 | -66.2 | -56.6 | 0 | 0 | 0 | 106.6 | ||||
| 624 | D | 36.9 | Very low | 32 | Very low | 140 Ų | 140 | 128 Ų | 128 | 75% | 0.749 | 71% | 0.714 | S | S | * | * | cis | -158 | -173.1 | 10.9 | -143.9 | -41.9 | 0 | 0 | 0 | 112.5 | ||||
| 625 | S | 33.2 | Very low | 32.4 | Very low | 92 Ų | 92 | 127.3 Ų | 127.3 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | trans | -59.8 | 179 | 179.9 | 64.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 626 | S | 36.2 | Very low | 32.9 | Very low | 102 Ų | 102 | 128.8 Ų | 128.8 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | cis | -158.8 | 136.4 | 25.8 | 47.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 627 | Q | 32.8 | Very low | 33.1 | Very low | 151 Ų | 151 | 128.2 Ų | 128.2 | 71% | 0.706 | 72% | 0.723 | S | S | * | * | 39.7 | 130.5 | 129 | -55.7 | -171.2 | 16.7 | 0 | 0 | 124.6 | |||||
| 628 | C | 32.7 | Very low | 33.3 | Very low | 106 Ų | 106 | 129.4 Ų | 129.4 | 72% | 0.716 | 73% | 0.726 | S | S | * | * | -173.1 | 119.7 | 100 | -90.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 629 | R | 34.5 | Very low | 33.8 | Very low | 215 Ų | 215 | 131.7 Ų | 131.7 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | 73.1 | 144.7 | 94.6 | -70.8 | -179.8 | -173 | -158.8 | 2.7 | 115.2 | |||||
| 630 | S | 35.4 | Very low | 34 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | cis | 178.2 | 159.8 | -5 | 171.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 631 | A | 35 | Very low | 34.4 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 57% | 0.57 | 72% | 0.722 | S | S | * | * | cis | -176.9 | 140.1 | -34 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 632 | N | 35 | Very low | 34.4 | Very low | 133 Ų | 133 | 133.4 Ų | 133.4 | 71% | 0.711 | 73% | 0.734 | S | S | * | * | trans | 68 | 164.8 | 159.2 | -50.6 | -21.4 | 0 | 0 | 0 | 117.9 | ||||
| 633 | F | 35.7 | Very low | 34.6 | Very low | 182 Ų | 182 | 128.7 Ų | 128.7 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | cis | -166.1 | -170.2 | 42.3 | -119.1 | -43.9 | 0 | 0 | 0 | 112.8 | ||||
| 634 | P | 38.8 | Very low | 34.5 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | -128.7 | 177.3 | -122.8 | 47.9 | -33.1 | 0 | 0 | 0 | 119.8 | |||||
| 635 | S | 32.9 | Very low | 34.4 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 74% | 0.743 | S | S | * | * | trans | 31.3 | 131.9 | 144 | 66.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 636 | N | 35.4 | Very low | 34.4 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -157.7 | 160 | 131.6 | -117.2 | -21.2 | 0 | 0 | 0 | 114.3 | ||||
| 637 | T | 31.3 | Very low | 34.3 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | trans | -99.8 | 178.1 | -169.2 | 37.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 638 | F | 33.2 | Very low | 34.2 | Very low | 184 Ų | 184 | 124.3 Ų | 124.3 | 81% | 0.807 | 75% | 0.746 | S | S | * | * | trans | 128.9 | 138.9 | 160.1 | -89 | -101.1 | 0 | 0 | 0 | 112.1 | ||||
| 639 | R | 34.4 | Very low | 34.1 | Very low | 188 Ų | 188 | 127 Ų | 127 | 71% | 0.709 | 75% | 0.748 | S | S | * | * | cis | -171.2 | 149.1 | -26.8 | -145.9 | -170.8 | 159.6 | 157.4 | 1.7 | 110.1 | ||||
| 640 | D | 34.9 | Very low | 33.8 | Very low | 137 Ų | 137 | 120.9 Ų | 120.9 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | trans | 57.6 | 139.9 | 156.8 | -57.4 | -26.8 | 0 | 0 | 0 | 122.1 | ||||
| 641 | G | 35.8 | Very low | 33.4 | Very low | 69 Ų | 69 | 122.7 Ų | 122.7 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | trans | 166.7 | 3.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 642 | T | 32.7 | Very low | 33.2 | Very low | 149 Ų | 149 | 125.7 Ų | 125.7 | 91% | 0.914 | 74% | 0.744 | S | S | * | * | trans | 24.3 | 124.4 | 159.6 | 56.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 643 | G | 36.3 | Very low | 32.9 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | trans | -166.6 | 14.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 644 | S | 31.5 | Very low | 32.7 | Very low | 120 Ų | 120 | 121.1 Ų | 121.1 | 84% | 0.839 | 74% | 0.743 | S | S | * | * | trans | 27 | 147.5 | 157.6 | 60.4 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 645 | A | 35 | Very low | 32.5 | Very low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 94.9 | 96.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 646 | S | 32.6 | Very low | 32.4 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 81% | 0.811 | 76% | 0.757 | S | S | * | * | 83.1 | 140.4 | 78.8 | 68.3 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 647 | S | 34.5 | Very low | 32.4 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 69% | 0.685 | 75% | 0.751 | S | S | * | * | cis | -156.4 | 146.5 | 16.6 | 30.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 648 | S | 29.7 | Very low | 32.4 | Very low | 89 Ų | 89 | 121 Ų | 121 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | 48.3 | 135.8 | 78 | 87.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 649 | E | 31.7 | Very low | 32.4 | Very low | 163 Ų | 163 | 117.3 Ų | 117.3 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -143.3 | 149.6 | 20.1 | -93.8 | 114.6 | -136.2 | 0 | 0 | 108.6 | ||||
| 650 | S | 27.8 | Very low | 32.4 | Very low | 85 Ų | 85 | 113.8 Ų | 113.8 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | 75.7 | 129.5 | 57 | 103.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 651 | L | 28.2 | Very low | 32.1 | Very low | 151 Ų | 151 | 112 Ų | 112 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | 64.1 | 126.9 | 154.9 | -55.1 | 167.3 | 0 | 0 | 0 | 115.8 | ||||
| 652 | N | 30.4 | Very low | 31.8 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 71% | 0.706 | 75% | 0.754 | S | S | * | * | cis | -173 | 150.5 | 44.3 | -119.4 | -3.3 | 0 | 0 | 0 | 111.3 | ||||
| 653 | D | 28.5 | Very low | 31.5 | Very low | 155 Ų | 155 | 114.5 Ų | 114.5 | 83% | 0.829 | 74% | 0.742 | S | S | * | * | 42 | 121.8 | 121.2 | -149.8 | 13.7 | 0 | 0 | 0 | 119.8 | |||||
| 654 | G | 31.9 | Very low | 31.1 | Very low | 65 Ų | 65 | 117.7 Ų | 117.7 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | 170.5 | 69.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 655 | S | 34.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | 62.9 | 94.4 | 135.9 | -54 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 656 | A | 29.9 | Very low | 30.9 | Very low | 98 Ų | 98 | 122.5 Ų | 122.5 | 81% | 0.81 | 74% | 0.739 | S | S | * | * | 85.3 | 138.5 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 657 | P | 37 | Very low | 30.6 | Very low | 116 Ų | 116 | 122.9 Ų | 122.9 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -94.4 | 173.3 | 178.2 | 40.1 | -35.6 | 0 | 0 | 0 | 111.9 | ||||
| 658 | I | 31.4 | Very low | 30.3 | Very low | 150 Ų | 150 | 128.3 Ų | 128.3 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -170.4 | 120.8 | 144.4 | -98.5 | 148.3 | 0 | 0 | 0 | 108.9 | ||||
| 659 | S | 31.9 | Very low | 30.3 | Very low | 105 Ų | 105 | 130.2 Ų | 130.2 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | trans | -69.6 | 171.9 | 164.6 | -20 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 660 | P | 35.2 | Very low | 30.1 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 75% | 0.747 | 74% | 0.743 | S | S | * | * | -150.9 | -173.7 | 52.4 | 41.3 | -18.7 | 0 | 0 | 0 | 116.7 | |||||
| 661 | S | 29.4 | Very low | 30.6 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 69% | 0.692 | 75% | 0.753 | S | S | * | * | trans | -44.8 | 147.8 | 157.2 | 51.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 662 | E | 28.8 | Very low | 30.5 | Very low | 176 Ų | 176 | 128.3 Ų | 128.3 | 82% | 0.822 | 74% | 0.74 | S | S | * | * | -177.3 | 116.1 | 128.5 | -95.9 | 166.4 | -164.4 | 0 | 0 | 104.5 | |||||
| 663 | S | 27.1 | Very low | 30.6 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 75% | 0.747 | S | S | * | * | 65.5 | 148.4 | 73.2 | 89.4 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 664 | L | 26.4 | Very low | 30.7 | Very low | 140 Ų | 140 | 128.1 Ų | 128.1 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 92.7 | 98.3 | 175.5 | -60.8 | 155.1 | 0 | 0 | 0 | 116.5 | ||||
| 665 | N | 27.9 | Very low | 30.5 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 75% | 0.75 | S | S | * | * | 46.4 | 114.8 | 117 | -56.2 | 10.7 | 0 | 0 | 0 | 117.4 | |||||
| 666 | H | 34 | Very low | 30.4 | Very low | 186 Ų | 186 | 131.6 Ų | 131.6 | 86% | 0.861 | 75% | 0.748 | S | S | * | * | -131 | 115.4 | 119.6 | -97 | -68.8 | 0 | 0 | 0 | 110.2 | |||||
| 667 | D | 27.3 | Very low | 30.4 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | -47.3 | 162.4 | 151.2 | -60.7 | -79.6 | 0 | 0 | 0 | 110.7 | ||||
| 668 | W | 28 | Very low | 30.2 | Very low | 212 Ų | 212 | 138.1 Ų | 138.1 | 80% | 0.803 | 75% | 0.753 | S | S | * | * | 160 | 137.5 | 120 | -93.1 | 71.7 | 0 | 0 | 0 | 110.7 | |||||
| 669 | N | 30.2 | Very low | 30.1 | Very low | 129 Ų | 129 | 137.9 Ų | 137.9 | 69% | 0.69 | 75% | 0.753 | S | S | * | * | trans | 73.1 | 95.9 | 160.5 | -59.2 | -31.6 | 0 | 0 | 0 | 119.5 | ||||
| 670 | S | 26.3 | Very low | 30.1 | Very low | 114 Ų | 114 | 138.2 Ų | 138.2 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 137 | 136.9 | -30 | 0 | 0 | 0 | 0 | 111.5 | ||
| 671 | P | 38.8 | Very low | 30 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 127.4 | 149.2 | 21.4 | -7.6 | 0 | 0 | 0 | 109.7 | ||
| 672 | K | 27.3 | Very low | 30.2 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 52% | 0.522 | 76% | 0.76 | S | S | . | * | P | Polyproline II helix | trans | -59.8 | 156.8 | 172.3 | -72.9 | 165.5 | 171.2 | 172.2 | 0 | 111.7 | S573 | S573-K672 VanDerWaalsContact OG-CE 3.26Å; S573-K672 WeakPolarHBondContact OG-CE 3.29Å; S573-K672 PolarHBondContact OG-NZ 2.9Å |
| 673 | P | 30.9 | Very low | 30.2 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 137.5 | 167.7 | 29.3 | -35.4 | 0 | 0 | 0 | 110 | ||
| 674 | I | 31.6 | Very low | 30.6 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 77% | 0.774 | 76% | 0.762 | S | S | * | * | trans | -136.2 | 116.7 | 171.4 | -64.5 | -177 | 0 | 0 | 0 | 108.5 | ||||
| 675 | D | 27.9 | Very low | 30.8 | Very low | 146 Ų | 146 | 139.8 Ų | 139.8 | 78% | 0.781 | 76% | 0.755 | S | S | * | * | trans | -58.8 | 134.4 | 168.6 | -61.5 | -64.7 | 0 | 0 | 0 | 111.5 | ||||
| 676 | S | 32 | Very low | 31.1 | Very low | 111 Ų | 111 | 142.6 Ų | 142.6 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | trans | -159.1 | 96.4 | 145.8 | 54.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 677 | N | 28.5 | Very low | 30.9 | Very low | 142 Ų | 142 | 139.7 Ų | 139.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -23.1 | 134.7 | 158.6 | -67.7 | -51.9 | 0 | 0 | 0 | 115.8 | ||||
| 678 | F | 32.8 | Very low | 31.1 | Very low | 209 Ų | 209 | 141.5 Ų | 141.5 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -140.3 | 124.8 | 133.9 | -113.3 | -82 | 0 | 0 | 0 | 111.6 | ||||
| 679 | N | 29.6 | Very low | 31.3 | Very low | 144 Ų | 144 | 140.4 Ų | 140.4 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | trans | -57.8 | 161.8 | 175.4 | -52.1 | -64.2 | 0 | 0 | 0 | 111.3 | ||||
| 680 | S | 31.6 | Very low | 31.4 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | -159.1 | 168.9 | 20.7 | 63.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 681 | S | 33.1 | Very low | 31.7 | Very low | 101 Ų | 101 | 140.7 Ų | 140.7 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -160.1 | 132.9 | 29.2 | 55 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 682 | V | 33.4 | Very low | 31.5 | Very low | 137 Ų | 137 | 142.5 Ų | 142.5 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | 68.8 | 90.6 | 122.9 | -174.5 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 683 | Y | 30.1 | Very low | 31.8 | Very low | 191 Ų | 191 | 139.7 Ų | 139.7 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | trans | -26.5 | 169.9 | 133.4 | -83.1 | -76 | 0 | 0 | 0 | 117.2 | ||||
| 684 | P | 35.3 | Very low | 31.9 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | cis | -153.2 | 170.6 | 39.9 | 42.6 | -20.3 | 0 | 0 | 0 | 122.1 | ||||
| 685 | N | 30.1 | Very low | 32 | Very low | 111 Ų | 111 | 132.3 Ų | 132.3 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | -49.5 | 153.4 | 162.5 | -54 | -36.5 | 0 | 0 | 0 | 116.2 | I687 | N685-I687 HydrophobicContact CB-CD1 4.44Å; N685-I687 HydrophobicContact CB-CG1 4.37Å | ||
| 686 | H | 34 | Very low | 32.3 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 83% | 0.829 | 72% | 0.724 | S | S | * | * | trans | -152.6 | 117.3 | 138.4 | -90.6 | -79 | 0 | 0 | 0 | 106.2 | ||||
| 687 | I | 30.1 | Very low | 32.4 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 64% | 0.641 | 71% | 0.714 | S | S | * | * | 69.4 | 125.9 | 51.9 | -50.5 | 170.9 | 0 | 0 | 0 | 113.3 | N685 | N685-I687 HydrophobicContact CB-CD1 4.44Å; N685-I687 HydrophobicContact CB-CG1 4.37Å | |||
| 688 | M | 31.9 | Very low | 32.7 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | trans | 102.2 | 112.3 | 168.2 | -59.1 | -160.3 | 169.5 | 0 | 0 | 114.6 | ||||
| 689 | K | 32.2 | Very low | 32.8 | Very low | 188 Ų | 188 | 119 Ų | 119 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | 86.6 | 111 | 57.1 | -80.8 | -170.6 | 173.3 | -172.5 | 0 | 113.6 | |||||
| 690 | S | 31.3 | Very low | 33 | Very low | 96 Ų | 96 | 115.8 Ų | 115.8 | 67% | 0.671 | 65% | 0.651 | S | S | * | * | trans | 43.3 | 118 | 139.2 | 64 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 691 | N | 33.4 | Very low | 33.2 | Very low | 154 Ų | 154 | 116.9 Ų | 116.9 | 82% | 0.824 | 65% | 0.648 | S | S | * | * | 178.2 | 161.2 | 108.2 | -93.9 | 5.6 | 0 | 0 | 0 | 113.5 | |||||
| 692 | D | 33.8 | Very low | 33.1 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 86% | 0.861 | 65% | 0.652 | S | S | * | * | trans | -73.3 | 172.8 | -177.2 | -47 | -83.3 | 0 | 0 | 0 | 115.6 | ||||
| 693 | G | 34.4 | Very low | 33.1 | Very low | 62 Ų | 62 | 119.8 Ų | 119.8 | 64% | 0.639 | 65% | 0.649 | S | S | * | * | trans | 115.9 | 83.4 | 137.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 694 | S | 33.7 | Very low | 33.1 | Very low | 62 Ų | 62 | 115.5 Ų | 115.5 | 43% | 0.434 | 65% | 0.647 | S | S | . | * | trans | 38.3 | 112.4 | 140.5 | 66.4 | 0 | 0 | 0 | 0 | 122.3 | N547 | N547-S694 PolarHBondContact OD1-OG 3.5Å; N547-S694 VanDerWaalsContact OD1-OG 3.13Å | ||
| 695 | S | 33.5 | Very low | 33.1 | Very low | 66 Ų | 66 | 116.1 Ų | 116.1 | 46% | 0.462 | 65% | 0.649 | S | S | . | * | 98.4 | 131.5 | 110.5 | 78.7 | 0 | 0 | 0 | 0 | 125.4 | N545 V546 | N545-S695 VanDerWaalsContact CG-CB 3.5Å; N545-S695 VanDerWaalsContact CG-OG 3.27Å; N545-S695 VanDerWaalsContact ND2-CB 3.34Å; N545-S695 WeakPolarHBondContact ND2-CB 3.43Å; N545-S695 PolarHBondContact ND2-OG 2.96Å; N545-S695 WeakPolarHBondContact OD1-CB 3.4Å; N545-S695 PolarHBondContact OD1-OG 2.92Å; V546-S695 VanDerWaalsContact CG2-OG 3.29Å; V546-S695 WeakPolarHBondContact CG2-OG 3.35Å | |||
| 696 | L | 33.2 | Very low | 33.1 | Very low | 107 Ų | 107 | 118.4 Ų | 118.4 | 56% | 0.56 | 66% | 0.656 | S | S | * | * | trans | 66.3 | 125.8 | 130.9 | -82.8 | 173.2 | 0 | 0 | 0 | 124.6 | N545 | N545-L696 WeakPolarHBondContact OD1-CD1 3.32Š| ||
| 697 | V | 35 | Very low | 33.3 | Very low | 93 Ų | 93 | 116 Ų | 116 | 56% | 0.564 | 66% | 0.656 | S | S | * | * | 117.9 | 126.9 | 126.9 | 165.3 | 0 | 0 | 0 | 0 | 122.8 | T1033 | V697-T1033 CarbonylContact C-O 3.53Å; V697-T1033 VanDerWaalsContact C-O 3.25Å | |||
| 698 | T | 35.1 | Very low | 33.4 | Very low | 60 Ų | 60 | 115.4 Ų | 115.4 | 37% | 0.368 | 66% | 0.659 | S | S | . | * | trans | 89.7 | 131.8 | 151.1 | 48.5 | 0 | 0 | 0 | 0 | 127.6 | S1032 T1033 Q1034 | T698-S1032 WeakPolarHBondContact CA-O 3.44Å; T698-S1032 WeakPolarHBondContact CA-OG 3.44Å; T698-S1032 PolarHBondContact N-O 2.88Å; T698-T1033 VanDerWaalsContact C-C 3.48Å; T698-T1033 CarbonylContact C-O 3.5Å; T698-T1033 VanDerWaalsContact C-O 3.27Å; T698-T1033 WeakPolarHBondContact CA-O 3.12Å; T698-T1033 PolarHBondContact N-O 2.76Å; T698-T1033 CarbonylContact O-C 3.47Å; T698-T1033 PolarHBondContact O-OG1 2.92Å; T698-T1033 VanDerWaalsContact O-OG1 3.08Å; T698-Q1034 PolarHBondContact O-NE2 2.84Å | ||
| 699 | N | 34.4 | Very low | 33.4 | Very low | 68 Ų | 68 | 112.3 Ų | 112.3 | 36% | 0.364 | 66% | 0.659 | S | S | . | * | trans | 123.2 | 87.4 | 136.7 | -63.3 | -35.4 | 0 | 0 | 0 | 120.5 | M1031 S1032 T1033 | N699-M1031 PolarHBondContact OD1-SD 3.07Å; N699-S1032 VanDerWaalsContact N-CB 3.3Å; N699-S1032 PolarHBondContact N-OG 3.43Å; N699-S1032 PolarHBondContact ND2-OG 3.06Å; N699-S1032 VanDerWaalsContact ND2-OG 3.13Å; N699-S1032 WeakPolarHBondContact OD1-CB 3.09Å; N699-S1032 PolarHBondContact OD1-OG 2.64Å; N699-T1033 VanDerWaalsContact C-CG2 3.47Å; N699-T1033 WeakPolarHBondContact CA-OG1 3.42Å; N699-T1033 PolarHBondContact N-OG1 3.23Å; N699-T1033 WeakPolarHBondContact O-CG2 3.27Å; N699-T1033 PolarHBondContact O-OG1 3.08Å | ||
| 700 | D | 33.5 | Very low | 33.5 | Very low | 76 Ų | 76 | 112.8 Ų | 112.8 | 41% | 0.406 | 66% | 0.661 | S | S | . | * | trans | -62.8 | 170.2 | -178.3 | -65.3 | -42.2 | 0 | 0 | 0 | 117.5 | T1033 | D700-T1033 WeakPolarHBondContact OD1-CG2 3.5Š| ||
| 701 | N | 35.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 114.8 Ų | 114.8 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | 106.5 | 123.7 | 139.6 | -73.2 | -49.1 | 0 | 0 | 0 | 125 | ||||
| 702 | L | 30.7 | Very low | 33.5 | Very low | 151 Ų | 151 | 118.1 Ų | 118.1 | 79% | 0.791 | 67% | 0.672 | S | S | * | * | 81.1 | 160.2 | 127.4 | -69.2 | 168.7 | 0 | 0 | 0 | 124.8 | |||||
| 703 | I | 33.8 | Very low | 33.4 | Very low | 149 Ų | 149 | 116.5 Ų | 116.5 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | trans | 86.2 | 93.5 | 166.8 | -51.5 | -178.4 | 0 | 0 | 0 | 115 | ||||
| 704 | S | 30.5 | Very low | 33.2 | Very low | 100 Ų | 100 | 122.2 Ų | 122.2 | 70% | 0.699 | 67% | 0.671 | S | S | * | * | 72.6 | 143.8 | 72.6 | 82.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 705 | T | 34.6 | Very low | 33 | Very low | 130 Ų | 130 | 123.7 Ų | 123.7 | 80% | 0.798 | 68% | 0.681 | S | S | * | * | cis | -155.1 | 168.7 | 23.5 | 45.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 706 | E | 30.9 | Very low | 33 | Very low | 159 Ų | 159 | 128.4 Ų | 128.4 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | trans | -68.7 | -177.4 | 166.4 | -52 | -179.3 | 123.6 | 0 | 0 | 114.1 | ||||
| 707 | P | 36.9 | Very low | 32.9 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 84% | 0.838 | 70% | 0.702 | S | S | * | * | -145.4 | 159.4 | 87.9 | 37.9 | -20.8 | 0 | 0 | 0 | 118.1 | |||||
| 708 | T | 32.4 | Very low | 32.6 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.693 | 71% | 0.709 | S | S | * | * | trans | -72.3 | 156.1 | 177.2 | 58.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 709 | A | 32.9 | Very low | 32.6 | Very low | 98 Ų | 98 | 132.4 Ų | 132.4 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | 161.3 | 146.1 | 113.6 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 710 | K | 33.2 | Very low | 32.5 | Very low | 199 Ų | 199 | 136.9 Ų | 136.9 | 87% | 0.865 | 74% | 0.739 | S | S | * | * | trans | -82.5 | 161.6 | 171.5 | -58.7 | 172.2 | 178.9 | 171.3 | 0 | 110.7 | ||||
| 711 | P | 35.6 | Very low | 32.6 | Very low | 137 Ų | 137 | 139 Ų | 139 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | -150 | -170 | 96.2 | 38.4 | -19 | 0 | 0 | 0 | 116.5 | |||||
| 712 | R | 29.1 | Very low | 32.6 | Very low | 224 Ų | 224 | 141.8 Ų | 141.8 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -80.5 | 154.8 | -163.7 | -102.9 | 172.2 | 166.6 | 159.8 | -5.8 | 117.2 | ||||
| 713 | N | 32.3 | Very low | 32.8 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 68% | 0.684 | 75% | 0.747 | S | S | * | * | trans | 79.6 | 129.6 | 135.6 | -77.1 | -6.9 | 0 | 0 | 0 | 123.1 | ||||
| 714 | K | 30.9 | Very low | 32.9 | Very low | 181 Ų | 181 | 137.6 Ų | 137.6 | 79% | 0.787 | 75% | 0.75 | S | S | * | * | trans | 80.5 | 112.2 | 135.1 | -80.3 | -173.8 | 176 | -175.2 | 0 | 120.7 | ||||
| 715 | S | 28.6 | Very low | 33.1 | Very low | 93 Ų | 93 | 141.9 Ų | 141.9 | 65% | 0.65 | 76% | 0.756 | S | S | * | * | 95.2 | 126 | 121.1 | -65.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 716 | Q | 33.4 | Very low | 33.2 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 75% | 0.749 | S | S | * | * | trans | 80.9 | 114.4 | 136.5 | -77.5 | 178.5 | -31.3 | 0 | 0 | 120.5 | ||||
| 717 | N | 31 | Very low | 33.4 | Very low | 127 Ų | 127 | 139 Ų | 139 | 68% | 0.679 | 75% | 0.751 | S | S | * | * | 93.2 | 121.2 | 119 | -76.4 | 0.1 | 0 | 0 | 0 | 120.1 | |||||
| 718 | V | 30.3 | Very low | 33.2 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | 76.7 | 133.3 | 127.7 | 178.9 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 719 | T | 34 | Very low | 33.5 | Very low | 99 Ų | 99 | 141.5 Ų | 141.5 | 61% | 0.607 | 75% | 0.752 | S | S | * | * | cis | -157.8 | 152.5 | 33.4 | -17.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 720 | E | 33.1 | Very low | 33.4 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 61.1 | 160.6 | 139.4 | -79.5 | 166.1 | -161.6 | 0 | 0 | 121.3 | ||||
| 721 | I | 35.4 | Very low | 33.3 | Very low | 121 Ų | 121 | 137.7 Ų | 137.7 | 62% | 0.621 | 74% | 0.735 | S | S | * | * | cis | -147.6 | 135.3 | 10.8 | -125.6 | 144.1 | 0 | 0 | 0 | 109.6 | ||||
| 722 | F | 35.2 | Very low | 33.1 | Very low | 195 Ų | 195 | 139.5 Ų | 139.5 | 86% | 0.855 | 73% | 0.729 | S | S | * | * | trans | 57.1 | 142.8 | 153.2 | -68.3 | -123.6 | 0 | 0 | 0 | 121.5 | ||||
| 723 | G | 34.6 | Very low | 33 | Very low | 60 Ų | 60 | 135.6 Ų | 135.6 | 62% | 0.619 | 72% | 0.724 | S | S | * | * | cis | -175.7 | 147.6 | -2.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 724 | N | 36.3 | Very low | 32.9 | Very low | 152 Ų | 152 | 135.3 Ų | 135.3 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | 62.2 | 147.2 | 159.2 | -61.6 | -18.9 | 0 | 0 | 0 | 121 | ||||
| 725 | K | 33.6 | Very low | 33 | Very low | 190 Ų | 190 | 133.8 Ų | 133.8 | 83% | 0.826 | 72% | 0.718 | S | S | * | * | cis | 167.4 | 162.6 | -33.5 | -109.7 | -149.5 | 165.7 | -180 | 0 | 106.3 | ||||
| 726 | P | 37.4 | Very low | 33.3 | Very low | 101 Ų | 101 | 133.8 Ų | 133.8 | 66% | 0.656 | 71% | 0.708 | S | S | * | * | -137.5 | -129.3 | -129.7 | 43.4 | -22.1 | 0 | 0 | 0 | 112.4 | |||||
| 727 | T | 35.3 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.1 Ų | 130.1 | 78% | 0.779 | 70% | 0.698 | S | S | * | * | trans | 89.5 | 114.8 | 172.6 | 64.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 728 | Q | 32.2 | Very low | 33.5 | Very low | 190 Ų | 190 | 128.3 Ų | 128.3 | 89% | 0.888 | 70% | 0.701 | S | S | * | * | cis | 80.1 | 147.3 | 49.5 | -84.8 | -137.3 | -17.2 | 0 | 0 | 114.7 | ||||
| 729 | P | 39 | Very low | 33.6 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -124.8 | -161.6 | -137.4 | 42 | -26.5 | 0 | 0 | 0 | 112.3 | ||||
| 730 | S | 30.3 | Very low | 33.4 | Very low | 91 Ų | 91 | 132 Ų | 132 | 64% | 0.636 | 71% | 0.712 | S | S | * | * | 138 | 136.6 | 127.1 | 72.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 731 | N | 30.7 | Very low | 33.4 | Very low | 127 Ų | 127 | 130.2 Ų | 130.2 | 68% | 0.679 | 72% | 0.717 | S | S | * | * | trans | 83.6 | 150.8 | 141.9 | -58.8 | -21.9 | 0 | 0 | 0 | 122.9 | ||||
| 732 | F | 31.7 | Very low | 33.1 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 76% | 0.763 | 72% | 0.724 | S | S | * | * | trans | 68.7 | 102.1 | 166.9 | -56.6 | -70.4 | 0 | 0 | 0 | 115.9 | ||||
| 733 | L | 27.9 | Very low | 33 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 75% | 0.749 | 73% | 0.725 | S | S | * | * | 89.6 | 141.5 | 64.8 | -94.4 | 157 | 0 | 0 | 0 | 113.4 | |||||
| 734 | N | 30.1 | Very low | 32.7 | Very low | 121 Ų | 121 | 132.5 Ų | 132.5 | 65% | 0.647 | 73% | 0.734 | S | S | * | * | trans | 85.9 | 127.4 | 163.1 | -77.1 | 27.2 | 0 | 0 | 0 | 121.5 | ||||
| 735 | E | 32.7 | Very low | 32.6 | Very low | 149 Ų | 149 | 132.6 Ų | 132.6 | 70% | 0.696 | 73% | 0.732 | S | S | * | * | trans | 83.5 | 91.9 | 135.8 | -71.1 | 168 | -130 | 0 | 0 | 120.7 | ||||
| 736 | H | 34.5 | Very low | 32.5 | Very low | 93 Ų | 93 | 129 Ų | 129 | 43% | 0.431 | 73% | 0.731 | S | S | . | * | 59.3 | 152 | 117.4 | -87.6 | -43.1 | 0 | 0 | 0 | 122 | I7 | I7-H736 VanDerWaalsContact CB-CE1 3.48Å; I7-H736 WeakPolarHBondContact CB-CE1 3.45Å; I7-H736 VanDerWaalsContact CD1-CE1 3.41Å; I7-H736 WeakPolarHBondContact CD1-CE1 2.92Å; I7-H736 WeakPolarHBondContact CG1-CE1 3.37Å | |||
| 737 | P | 36 | Very low | 32.2 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 57% | 0.571 | 74% | 0.738 | S | S | * | * | trans | -118.3 | 157.7 | -156.2 | 41.2 | -29.5 | 0 | 0 | 0 | 115.6 | P6 | P6-P737 HydrophobicContact CB-CG 4.29Å; P6-P737 HydrophobicContact CG-CG 3.72Å | ||
| 738 | A | 32.9 | Very low | 32.3 | Very low | 90 Ų | 90 | 134.4 Ų | 134.4 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | trans | -152.8 | 116.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 739 | S | 31.7 | Very low | 32.3 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 73% | 0.731 | S | S | * | * | trans | 43.9 | 132.4 | 135.4 | 67.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 740 | K | 31.2 | Very low | 32.2 | Very low | 198 Ų | 198 | 134.5 Ų | 134.5 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | trans | 63.2 | 117.5 | 140.6 | -64.2 | 170.9 | 179.1 | -177.4 | 0 | 118.7 | ||||
| 741 | S | 32.8 | Very low | 32.6 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 85% | 0.853 | 74% | 0.743 | S | S | * | * | -174.8 | 159.5 | 90.8 | 47.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 742 | S | 28.4 | Very low | 32.8 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -92.8 | 144.9 | -176.6 | 46.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 743 | T | 33.6 | Very low | 32.9 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 87% | 0.871 | 74% | 0.744 | S | S | * | * | trans | -149.7 | 146.5 | 152.7 | 0.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 744 | E | 28.5 | Very low | 33.2 | Very low | 171 Ų | 171 | 132 Ų | 132 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | trans | -75.1 | 167 | -177.1 | -57.4 | 157.3 | 117.6 | 0 | 0 | 112.1 | ||||
| 745 | I | 34 | Very low | 33.1 | Very low | 153 Ų | 153 | 132 Ų | 132 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | 166.2 | 120.3 | 120 | -84.8 | 159.4 | 0 | 0 | 0 | 112.1 | |||||
| 746 | S | 32.6 | Very low | 33.2 | Very low | 114 Ų | 114 | 133.1 Ų | 133.1 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 63.7 | 122.3 | 149.1 | -61.5 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 747 | R | 30.3 | Very low | 33 | Very low | 211 Ų | 211 | 138.9 Ų | 138.9 | 80% | 0.796 | 78% | 0.78 | S | S | * | * | trans | -71.2 | 171.1 | 151.3 | -74.5 | -178.3 | 173.3 | -173.1 | -1.9 | 112 | ||||
| 748 | P | 36.3 | Very low | 32.8 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | -118.7 | 166.2 | 126.9 | 31.5 | -23.5 | 0 | 0 | 0 | 114.1 | |||||
| 749 | K | 32.8 | Very low | 32.8 | Very low | 158 Ų | 158 | 142.6 Ų | 142.6 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -125 | 147 | -176.4 | -103.5 | -172.7 | 169.4 | -174.9 | 0 | 109.5 | ||||
| 750 | I | 36.4 | Very low | 32.7 | Very low | 139 Ų | 139 | 143 Ų | 143 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 34.2 | 142.2 | 137.9 | -27.3 | 165.4 | 0 | 0 | 0 | 119.5 | ||||
| 751 | P | 39.7 | Very low | 32.8 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | -139.2 | 173 | 98.1 | 29.6 | -11.2 | 0 | 0 | 0 | 112.3 | |||||
| 752 | G | 34 | Very low | 32.8 | Very low | 62 Ų | 62 | 141.5 Ų | 141.5 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | cis | 133.6 | 125.5 | 2 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 753 | D | 34.2 | Very low | 33.1 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 60.4 | 134.3 | 165.3 | -65.2 | -31.8 | 0 | 0 | 0 | 122 | ||||
| 754 | T | 34.4 | Very low | 33.1 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | -160.1 | 138.9 | 101.8 | -64.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 755 | T | 28.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 73% | 0.73 | 77% | 0.767 | S | S | * | * | trans | -104.4 | 146.4 | -178.8 | 40 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 756 | I | 33.7 | Very low | 33.4 | Very low | 174 Ų | 174 | 138.2 Ų | 138.2 | 89% | 0.892 | 77% | 0.767 | S | S | * | * | trans | -132.9 | 145.1 | 154.4 | -65.1 | -172.4 | 0 | 0 | 0 | 109.2 | ||||
| 757 | R | 31.1 | Very low | 33.4 | Very low | 213 Ų | 213 | 135.7 Ų | 135.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -115 | 154.1 | -169.9 | -71.5 | 164.4 | 146.8 | 167.3 | -7.9 | 111.7 | ||||
| 758 | M | 30.6 | Very low | 33.5 | Very low | 167 Ų | 167 | 134.3 Ų | 134.3 | 82% | 0.823 | 76% | 0.756 | S | S | * | * | 137.9 | 139.5 | 119.7 | -75.6 | -144.3 | -171.8 | 0 | 0 | 115.5 | |||||
| 759 | A | 33.1 | Very low | 33.2 | Very low | 90 Ų | 90 | 132 Ų | 132 | 74% | 0.744 | 74% | 0.743 | S | S | * | * | trans | 69.8 | 142 | 144.6 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 760 | S | 29 | Very low | 33.2 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | cis | 177.5 | -178.9 | -29.2 | 41 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 761 | V | 33.9 | Very low | 32.7 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 75% | 0.752 | S | S | * | * | trans | 83.5 | 98.2 | 179.6 | -170.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 762 | E | 32.5 | Very low | 32.3 | Very low | 165 Ų | 165 | 138.2 Ų | 138.2 | 77% | 0.771 | 76% | 0.755 | S | S | * | * | 74.2 | 103.9 | 58 | -61.8 | -175.6 | 153.5 | 0 | 0 | 114.2 | |||||
| 763 | D | 34.8 | Very low | 31.9 | Very low | 135 Ų | 135 | 140.7 Ų | 140.7 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | -176.8 | 123.3 | 102.5 | -99.6 | -31.4 | 0 | 0 | 0 | 108.8 | |||||
| 764 | N | 34.1 | Very low | 32 | Very low | 134 Ų | 134 | 138.7 Ų | 138.7 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | 62.9 | 128.2 | 87.5 | -77.8 | -44.6 | 0 | 0 | 0 | 113.1 | |||||
| 765 | S | 36.9 | Very low | 31.5 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 64% | 0.636 | 75% | 0.754 | S | S | * | * | cis | -168.8 | 151.7 | 19.1 | 60.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 766 | N | 31.1 | Very low | 31.4 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | 56.1 | 147.6 | 126.3 | -69 | -21.1 | 0 | 0 | 0 | 121.7 | |||||
| 767 | A | 32.5 | Very low | 31 | Very low | 62 Ų | 62 | 141.5 Ų | 141.5 | 51% | 0.512 | 75% | 0.746 | S | S | . | * | cis | -174.6 | 164.2 | -5.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 768 | H | 34.3 | Very low | 31 | Very low | 182 Ų | 182 | 140.8 Ų | 140.8 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | trans | 66 | 154.5 | 146.4 | -66.1 | -6.1 | 0 | 0 | 0 | 118.3 | ||||
| 769 | S | 29.9 | Very low | 31.2 | Very low | 83 Ų | 83 | 137.9 Ų | 137.9 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | cis | -172 | 170.9 | -20.5 | 55.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 770 | N | 31.6 | Very low | 31 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 74% | 0.74 | S | S | * | * | trans | 72 | 103.5 | 154.9 | -59.7 | -20.1 | 0 | 0 | 0 | 120.3 | ||||
| 771 | R | 27.3 | Very low | 31 | Very low | 220 Ų | 220 | 140.6 Ų | 140.6 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | 12.9 | 124.6 | 113 | -68.9 | 175.1 | 167.2 | 171 | -4.2 | 116.8 | |||||
| 772 | E | 30.2 | Very low | 30.8 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 92% | 0.916 | 75% | 0.745 | S | S | * | * | -166.7 | 162.5 | 114.3 | -110.8 | 179.4 | -173.6 | 0 | 0 | 112.8 | |||||
| 773 | S | 26.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 140.6 Ų | 140.6 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -95.4 | -150.3 | -173.3 | -45 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 774 | P | 34.8 | Very low | 30.6 | Very low | 112 Ų | 112 | 140.3 Ų | 140.3 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | -122.1 | -175.9 | -80.6 | 34.3 | -16.7 | 0 | 0 | 0 | 113.8 | |||||
| 775 | M | 24.6 | Very low | 30.3 | Very low | 153 Ų | 153 | 140.8 Ų | 140.8 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | 73.7 | 142 | 160.4 | -59.6 | -170.9 | 86.3 | 0 | 0 | 120.7 | ||||
| 776 | K | 25.8 | Very low | 30.1 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | 84.9 | 111.9 | 151.6 | -70.8 | 152 | -174.4 | 157.7 | 0 | 119.9 | ||||
| 777 | K | 25.5 | Very low | 30 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | 69.1 | 114.2 | 131.3 | -63.4 | -169.9 | 171.5 | -155.4 | 0 | 118.4 | ||||
| 778 | F | 32.9 | Very low | 29.7 | Very low | 198 Ų | 198 | 142.3 Ų | 142.3 | 87% | 0.868 | 75% | 0.747 | S | S | * | * | 19.2 | 136.7 | 119.5 | -77.6 | -68.3 | 0 | 0 | 0 | 117.5 | |||||
| 779 | P | 34.3 | Very low | 29.6 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 69% | 0.688 | 75% | 0.745 | S | S | * | * | -146 | 169.6 | 55.8 | 43.9 | -27.1 | 0 | 0 | 0 | 118.6 | |||||
| 780 | D | 28.3 | Very low | 29.7 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 68% | 0.679 | 76% | 0.758 | S | S | * | * | trans | 57.1 | 111.1 | 143.6 | -54.6 | -12.1 | 0 | 0 | 0 | 121.1 | ||||
| 781 | N | 28.4 | Very low | 29.5 | Very low | 127 Ų | 127 | 146.4 Ų | 146.4 | 68% | 0.679 | 76% | 0.762 | S | S | * | * | 45.8 | 123.4 | 116.2 | -56.9 | 14.5 | 0 | 0 | 0 | 119.8 | |||||
| 782 | L | 30.7 | Very low | 29.5 | Very low | 176 Ų | 176 | 139.1 Ų | 139.1 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -135.2 | 82.3 | 132.6 | -97.3 | 168.7 | 0 | 0 | 0 | 108.9 | ||||
| 783 | D | 32.1 | Very low | 29.4 | Very low | 111 Ų | 111 | 138.6 Ų | 138.6 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | -69.6 | 140.4 | 154 | -67.5 | -56.8 | 0 | 0 | 0 | 109.1 | ||||
| 784 | V | 31.4 | Very low | 29.4 | Very low | 129 Ų | 129 | 137.8 Ų | 137.8 | 78% | 0.782 | 73% | 0.734 | S | S | * | * | trans | -146.7 | 93.3 | 143.1 | -177.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 785 | Q | 27.6 | Very low | 29 | Very low | 144 Ų | 144 | 137.8 Ų | 137.8 | 67% | 0.673 | 74% | 0.737 | S | S | * | * | 53.2 | 100.3 | 93.3 | -103 | 84.2 | 25.7 | 0 | 0 | 115.5 | |||||
| 786 | G | 31.5 | Very low | 29.1 | Very low | 73 Ų | 73 | 134.4 Ų | 134.4 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | trans | -130.7 | 86.4 | 134.8 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 787 | N | 29 | Very low | 29.2 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 65% | 0.652 | 73% | 0.73 | S | S | * | * | 79.5 | 99.4 | 105.1 | -75.4 | 7.6 | 0 | 0 | 0 | 111.3 | |||||
| 788 | L | 27.6 | Very low | 29.3 | Very low | 140 Ų | 140 | 126.7 Ų | 126.7 | 73% | 0.733 | 72% | 0.723 | S | S | * | * | 79.7 | 114.4 | 86.3 | -78.3 | 170 | 0 | 0 | 0 | 108.4 | |||||
| 789 | D | 31 | Very low | 28.9 | Very low | 152 Ų | 152 | 121.9 Ų | 121.9 | 81% | 0.813 | 70% | 0.703 | S | S | * | * | -146.2 | 139.5 | 51.3 | -72.7 | -48.4 | 0 | 0 | 0 | 114 | |||||
| 790 | E | 32.4 | Very low | 28.5 | Very low | 180 Ų | 180 | 118.9 Ų | 118.9 | 84% | 0.841 | 68% | 0.68 | S | S | * | * | trans | -80.8 | 134.7 | 154.3 | -65.8 | -178.5 | 132.8 | 0 | 0 | 108.3 | ||||
| 791 | D | 28.2 | Very low | 28.5 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | trans | 177.5 | 105.5 | 141.8 | -92.7 | -27.8 | 0 | 0 | 0 | 107 | ||||
| 792 | A | 27.6 | Very low | 28.5 | Very low | 67 Ų | 67 | 119.1 Ų | 119.1 | 55% | 0.554 | 68% | 0.676 | S | S | * | * | 84.6 | 144.9 | 73.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 793 | Y | 26.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 115.8 Ų | 115.8 | 73% | 0.725 | 66% | 0.658 | S | S | * | * | trans | 75 | 99.4 | 169.4 | -66.2 | -84.9 | 0 | 0 | 0 | 120.8 | ||||
| 794 | S | 27.3 | Very low | 28.2 | Very low | 96 Ų | 96 | 111.4 Ų | 111.4 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | 91.6 | 127.7 | 104.1 | -163.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 795 | S | 26.7 | Very low | 28 | Very low | 112 Ų | 112 | 114.1 Ų | 114.1 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | trans | 64.6 | 117.8 | 141.7 | 58.2 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 796 | G | 26 | Very low | 28.1 | Very low | 81 Ų | 81 | 116.1 Ų | 116.1 | 84% | 0.835 | 63% | 0.634 | S | S | * | * | trans | 132 | 111.9 | 149.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 797 | G | 28.5 | Very low | 27.8 | Very low | 46 Ų | 46 | 118.2 Ų | 118.2 | 47% | 0.474 | 63% | 0.632 | S | S | . | * | trans | 140.1 | 59.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 798 | E | 26.6 | Very low | 27.9 | Very low | 130 Ų | 130 | 115.5 Ų | 115.5 | 61% | 0.607 | 63% | 0.632 | S | S | * | * | trans | -83.9 | 166.5 | 173.8 | -63.5 | 179.1 | 122.5 | 0 | 0 | 111.2 | Q390 N391 | Q390-E798 CarbonylContact C-O 3.24Å; Q390-E798 VanDerWaalsContact C-O 3.32Å; N391-E798 HydrophobicContact CB-CB 4.46Å; N391-E798 WeakPolarHBondContact OD1-CA 3.16Å; N391-E798 PolarHBondContact OD1-N 2.83Å; N391-E798 PolarHBondContact OD1-O 2.86Å | ||
| 799 | E | 25.9 | Very low | 27.8 | Very low | 96 Ų | 96 | 117.9 Ų | 117.9 | 45% | 0.449 | 64% | 0.637 | S | S | . | * | trans | 65.2 | 122.5 | 159.9 | -67.2 | 175.3 | 165.5 | 0 | 0 | 118.5 | R344 Q390 Q392 S393 | R344-E799 PolarHBondContact NH1-O 3.18Å; Q390-E799 WeakPolarHBondContact O-CB 2.77Å; Q392-E799 PolarHBondContact N-OE2 2.96Å; S393-E799 PolarHBondContact N-OE2 3.14Å | ||
| 800 | I | 26.3 | Very low | 27.6 | Very low | 43 Ų | 43 | 117.2 Ų | 117.2 | 22% | 0.221 | 64% | 0.639 | C | S | . | * | 172.9 | 102.3 | 111.5 | -79.1 | 155.5 | 0 | 0 | 0 | 106.6 | W387 | W387-I800 HydrophobicContact CB-CD1 3.94Å; W387-I800 HydrophobicContact CD2-CD1 4.06Å; W387-I800 HydrophobicContact CD2-CG1 4.33Å; W387-I800 HydrophobicContact CD2-CG2 4.34Å; W387-I800 HydrophobicContact CG-CD1 3.54Å; W387-I800 HydrophobicContact CG-CG1 4.17Å; W387-I800 HydrophobicContact CH2-CG2 4.34Å; W387-I800 HydrophobicContact CZ2-CG2 4.16Å; W387-I800 HydrophobicContact CZ3-CG2 4.49Å | |||
| 801 | Y | 27.3 | Very low | 27.4 | Very low | 143 Ų | 143 | 115.7 Ų | 115.7 | 56% | 0.561 | 64% | 0.636 | S | S | * | * | S | Bend | trans | 169.3 | 57.4 | 152.3 | -113.5 | -85.4 | 0 | 0 | 0 | 109.2 | N1330 | Y801-N1330 WeakPolarHBondContact CB-ND2 3.15Å; Y801-N1330 WeakPolarHBondContact O-CB 3.24Å; Y801-N1330 VanDerWaalsContact O-CG 3.29Å; Y801-N1330 PolarHBondContact O-ND2 3.49Å |
| 802 | V | 27.9 | Very low | 27.5 | Very low | 117 Ų | 117 | 115.3 Ų | 115.3 | 71% | 0.709 | 63% | 0.634 | S | S | * | * | trans | -143.3 | 140.3 | -177.8 | -146.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 803 | I | 26.4 | Very low | 27.5 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 54% | 0.538 | 65% | 0.646 | S | S | . | * | trans | 94.4 | 89.2 | 157.9 | -48.2 | -175.5 | 0 | 0 | 0 | 117 | D1328 | I803-D1328 WeakPolarHBondContact CA-OD1 3.33Å; I803-D1328 PolarHBondContact N-OD1 3.38Å | ||
| 804 | S | 30.7 | Very low | 27.6 | Very low | 19 Ų | 19 | 119 Ų | 119 | 13% | 0.133 | 66% | 0.655 | C | S | . | * | trans | -31.9 | 155.7 | 143.9 | -68.6 | 0 | 0 | 0 | 0 | 117 | T1326 S1327 D1328 | S804-T1326 PolarHBondContact OG-O 3.1Å; S804-S1327 WeakPolarHBondContact CB-OG 3.26Å; S804-S1327 WeakPolarHBondContact OG-CB 3.48Å; S804-S1327 PolarHBondContact OG-O 2.81Å; S804-S1327 PolarHBondContact OG-OG 3.19Å; S804-D1328 VanDerWaalsContact CB-OD2 3.31Å; S804-D1328 WeakPolarHBondContact CB-OD2 3.24Å; S804-D1328 PolarHBondContact N-OD1 3.35Å; S804-D1328 PolarHBondContact OG-N 3.34Å; S804-D1328 PolarHBondContact OG-OD1 3.49Å; S804-D1328 PolarHBondContact OG-OD2 3.01Å | ||
| 805 | R | 28.1 | Very low | 27.6 | Very low | 187 Ų | 187 | 121.4 Ų | 121.4 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | -174.8 | 112.2 | 128.4 | -99.9 | 151.3 | -160.2 | -162.1 | 7.7 | 113.1 | |||||
| 806 | R | 28.2 | Very low | 27.7 | Very low | 185 Ų | 185 | 124.1 Ų | 124.1 | 70% | 0.698 | 67% | 0.666 | S | S | * | * | trans | -96.6 | 157.8 | 145.2 | -78.9 | -168 | -173 | 155.3 | 10.5 | 109.5 | G940 | R806-G940 PolarHBondContact NH2-O 3.46Š| ||
| 807 | V | 26.3 | Very low | 27.7 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.715 | 67% | 0.666 | S | S | * | * | trans | -136.7 | 132.3 | -174.9 | -175 | 0 | 0 | 0 | 0 | 110.2 | F809 | V807-F809 HydrophobicContact CG1-CE2 4.35Å; V807-F809 HydrophobicContact CG1-CZ 4.2Å | ||
| 808 | G | 30 | Very low | 27.7 | Very low | 64 Ų | 64 | 133.7 Ų | 133.7 | 66% | 0.66 | 68% | 0.677 | S | S | * | * | trans | 93 | 164 | 153.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 809 | F | 26.5 | Very low | 28 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 84% | 0.838 | 68% | 0.684 | S | S | * | * | cis | -156.1 | 145.8 | -10 | -85.4 | -76.2 | 0 | 0 | 0 | 107.5 | V807 | V807-F809 HydrophobicContact CG1-CE2 4.35Å; V807-F809 HydrophobicContact CG1-CZ 4.2Å | ||
| 810 | T | 27.3 | Very low | 28.3 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 85% | 0.847 | 70% | 0.695 | S | S | * | * | trans | -94.2 | 142 | 167.2 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 811 | D | 26.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 140.7 Ų | 140.7 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -77 | 178.1 | 166.9 | -71.4 | -52.4 | 0 | 0 | 0 | 111.4 | ||||
| 812 | D | 31.1 | Very low | 28.6 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | 70.9 | 89.4 | 179 | -50.4 | -26.6 | 0 | 0 | 0 | 114.6 | ||||
| 813 | V | 27.6 | Very low | 28.7 | Very low | 132 Ų | 132 | 147 Ų | 147 | 80% | 0.8 | 75% | 0.745 | S | S | * | * | 58.5 | 92.3 | 60.3 | -168.5 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 814 | E | 28.7 | Very low | 28.9 | Very low | 196 Ų | 196 | 150.5 Ų | 150.5 | 92% | 0.916 | 77% | 0.765 | S | S | * | * | trans | -150.5 | 137.2 | 137.9 | -123.5 | 178.9 | -153.7 | 0 | 0 | 110.3 | ||||
| 815 | D | 26.6 | Very low | 29.1 | Very low | 148 Ų | 148 | 155.9 Ų | 155.9 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | -70.7 | 140.9 | -172.3 | -65.1 | -59.3 | 0 | 0 | 0 | 112.8 | ||||
| 816 | N | 28.1 | Very low | 29.4 | Very low | 168 Ų | 168 | 158.2 Ų | 158.2 | 90% | 0.898 | 80% | 0.799 | S | S | * | * | trans | -161.1 | 125.9 | 132.6 | -105.3 | -65.9 | 0 | 0 | 0 | 111.8 | ||||
| 817 | E | 27 | Very low | 29.6 | Very low | 178 Ų | 178 | 159.7 Ų | 159.7 | 83% | 0.832 | 81% | 0.805 | S | S | * | * | trans | -76.6 | 172 | 176.7 | -62.4 | -173.1 | 115.6 | 0 | 0 | 112.9 | ||||
| 818 | E | 27.6 | Very low | 29.7 | Very low | 151 Ų | 151 | 160.7 Ų | 160.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | 90.6 | 127.4 | 163.9 | -52.1 | -159.4 | 147.9 | 0 | 0 | 120.4 | ||||
| 819 | K | 33.1 | Very low | 30 | Very low | 172 Ų | 172 | 161.9 Ų | 161.9 | 75% | 0.748 | 80% | 0.801 | S | S | * | * | trans | 89.9 | 52.1 | 155.3 | -64.3 | 145.4 | -176.3 | 149.4 | 0 | 120.3 | ||||
| 820 | S | 32.1 | Very low | 30.3 | Very low | 96 Ų | 96 | 156.4 Ų | 156.4 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | 29.8 | 133.2 | 116.9 | 71.8 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 821 | N | 29.3 | Very low | 30.7 | Very low | 148 Ų | 148 | 158.3 Ų | 158.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | 78.2 | 88.3 | 140.4 | -62 | -24.5 | 0 | 0 | 0 | 120.7 | ||||
| 822 | Q | 31.5 | Very low | 30.8 | Very low | 204 Ų | 204 | 161 Ų | 161 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | -149.1 | 136.2 | 129.8 | -111.1 | 163.2 | 74.7 | 0 | 0 | 110.3 | |||||
| 823 | K | 30.2 | Very low | 30.9 | Very low | 187 Ų | 187 | 160.2 Ų | 160.2 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | -116 | 129.1 | -169.1 | -108.2 | 179 | 176.4 | 173.7 | 0 | 111.4 | I825 | K823-I825 HydrophobicContact CD-CD1 4.43Š| ||
| 824 | L | 30 | Very low | 31.4 | Very low | 180 Ų | 180 | 163.7 Ų | 163.7 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | trans | -126.4 | 136.4 | 160.9 | -84.8 | 162.4 | 0 | 0 | 0 | 108.8 | ||||
| 825 | I | 34.9 | Very low | 31.4 | Very low | 131 Ų | 131 | 164.7 Ų | 164.7 | 67% | 0.672 | 78% | 0.784 | S | S | * | * | trans | -139.2 | 125.1 | -173.5 | -57.1 | 172.2 | 0 | 0 | 0 | 108.9 | K823 | K823-I825 HydrophobicContact CD-CD1 4.43Š| ||
| 826 | R | 35.1 | Very low | 31.5 | Very low | 237 Ų | 237 | 162.2 Ų | 162.2 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -158.1 | 149.7 | 166 | -70.1 | -169.6 | 177 | 152.1 | -1.8 | 110.6 | ||||
| 827 | R | 30.6 | Very low | 31.4 | Very low | 215 Ų | 215 | 163.8 Ų | 163.8 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | cis | -145.5 | -2 | -41.1 | -149.4 | 172.6 | -177.3 | 160.8 | -1.3 | 113.4 | ||||
| 828 | D | 29.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 162.8 Ų | 162.8 | 75% | 0.749 | 78% | 0.777 | S | S | * | * | trans | -127.6 | 97.9 | -156 | -42.6 | -65.7 | 0 | 0 | 0 | 110.2 | ||||
| 829 | T | 36.7 | Very low | 31.4 | Very low | 89 Ų | 89 | 162.5 Ų | 162.5 | 55% | 0.546 | 78% | 0.775 | S | S | . | * | trans | -162.2 | 128.3 | 177.2 | 8.9 | 0 | 0 | 0 | 0 | 110.5 | H831 | T829-H831 VanDerWaalsContact C-N 3.3Å; T829-H831 PolarHBondContact O-N 3.23Å | ||
| 830 | P | 32.1 | Very low | 31.3 | Very low | 75 Ų | 75 | 158.3 Ų | 158.3 | 49% | 0.487 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -78.2 | 74.6 | 179.3 | 31.1 | -34.7 | 0 | 0 | 0 | 112.5 | S393 | S393-P830 VanDerWaalsContact O-CB 3.28Å; S393-P830 WeakPolarHBondContact O-CB 3.42Å |
| 831 | H | 36.6 | Very low | 31 | Very low | 179 Ų | 179 | 164 Ų | 164 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -143.7 | 71.7 | 168.6 | -95.1 | -1.4 | 0 | 0 | 0 | 111.6 | T829 | T829-H831 VanDerWaalsContact C-N 3.3Å; T829-H831 PolarHBondContact O-N 3.23Å | ||
| 832 | Y | 27.9 | Very low | 31.1 | Very low | 203 Ų | 203 | 162.2 Ų | 162.2 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | -100.6 | 69.8 | 170 | -161.1 | -88 | 0 | 0 | 0 | 113 | ||||
| 833 | T | 33.9 | Very low | 31 | Very low | 135 Ų | 135 | 157 Ų | 157 | 83% | 0.828 | 77% | 0.766 | S | S | * | * | trans | -150.8 | 28.5 | 160.1 | 37.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 834 | K | 37.2 | Very low | 31 | Very low | 205 Ų | 205 | 155 Ų | 155 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | trans | -123.2 | 58.7 | 168.4 | -83.5 | -176.7 | 178.4 | 169.6 | 0 | 113.8 | ||||
| 835 | R | 28.4 | Very low | 31.1 | Very low | 218 Ų | 218 | 150.7 Ų | 150.7 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | trans | -131.5 | 31.9 | 159.8 | -72 | -166.5 | -178.5 | 178.6 | 5 | 114.1 | R837 | R835-R837 PolarHBondContact O-N 3.15Š| ||
| 836 | A | 29 | Very low | 30.9 | Very low | 96 Ų | 96 | 151.4 Ų | 151.4 | 79% | 0.793 | 77% | 0.766 | S | S | * | * | trans | -86.1 | 91.1 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | I838 | A836-I838 PolarHBondContact O-N 3.2Å; A836-I838 VanDerWaalsContact O-N 3.15Å | ||
| 837 | R | 26.1 | Very low | 31 | Very low | 201 Ų | 201 | 146 Ų | 146 | 76% | 0.758 | 76% | 0.755 | S | S | * | * | trans | -74.7 | 94.2 | -178.2 | 179.1 | -172.8 | -179.1 | 170.5 | -3 | 110.9 | R835 Q839 | R835-R837 PolarHBondContact O-N 3.15Å; R837-Q839 HydrophobicContact CG-CG 3.84Å; R837-Q839 PolarHBondContact O-N 3.35Å | ||
| 838 | I | 26.8 | Very low | 31.5 | Very low | 157 Ų | 157 | 140 Ų | 140 | 81% | 0.805 | 75% | 0.746 | S | S | * | * | trans | -81.6 | 109.4 | 156.2 | -61.5 | -177.3 | 0 | 0 | 0 | 107.3 | A836 S840 | A836-I838 PolarHBondContact O-N 3.2Å; A836-I838 VanDerWaalsContact O-N 3.15Å; I838-S840 PolarHBondContact O-N 3.2Å | ||
| 839 | Q | 28.6 | Very low | 32.1 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 67% | 0.673 | 74% | 0.735 | S | S | * | * | trans | -79 | 114.4 | 167.7 | -56.6 | -176.7 | 47.2 | 0 | 0 | 108.2 | R837 | R837-Q839 HydrophobicContact CG-CG 3.84Å; R837-Q839 PolarHBondContact O-N 3.35Å | ||
| 840 | S | 31 | Very low | 32.6 | Very low | 85 Ų | 85 | 137.1 Ų | 137.1 | 59% | 0.594 | 72% | 0.722 | S | S | * | * | trans | -144.2 | 89.1 | 151.2 | 58.7 | 0 | 0 | 0 | 0 | 109.6 | I838 T842 | I838-S840 PolarHBondContact O-N 3.2Å; S840-T842 PolarHBondContact O-N 3.37Å | ||
| 841 | K | 26.4 | Very low | 33.3 | Very low | 214 Ų | 214 | 136.3 Ų | 136.3 | 93% | 0.93 | 72% | 0.722 | S | S | * | * | trans | -58.4 | 96.4 | 134.2 | -72.4 | -177.7 | 174.9 | -173.5 | 0 | 106.2 | ||||
| 842 | T | 30.6 | Very low | 33.7 | Very low | 112 Ų | 112 | 131.8 Ų | 131.8 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | trans | -90.1 | 114.7 | 145 | 40.1 | 0 | 0 | 0 | 0 | 105.2 | S840 D844 | S840-T842 PolarHBondContact O-N 3.37Å; T842-D844 PolarHBondContact O-N 3.35Å; T842-D844 VanDerWaalsContact O-N 3.13Å | ||
| 843 | A | 30.3 | Very low | 35 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 69% | 0.693 | S | S | * | * | trans | -66.6 | 107.1 | 162.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 844 | D | 28.6 | Very low | 35.9 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 78% | 0.781 | 68% | 0.678 | S | S | * | * | S | Bend | trans | 177.2 | 122.3 | 158.1 | -83.1 | -27 | 0 | 0 | 0 | 105.9 | T842 M846 | T842-D844 PolarHBondContact O-N 3.35Å; T842-D844 VanDerWaalsContact O-N 3.13Å; D844-M846 PolarHBondContact O-N 2.87Å |
| 845 | G | 32.9 | Very low | 36.6 | Very low | 89 Ų | 89 | 121.3 Ų | 121.3 | 92% | 0.918 | 66% | 0.662 | S | S | * | * | trans | -79.7 | 115.2 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 846 | M | 30.1 | Very low | 37.4 | Very low | 147 Ų | 147 | 115.2 Ų | 115.2 | 72% | 0.724 | 65% | 0.645 | S | S | * | * | trans | -131.5 | 147.3 | 177.5 | -88.4 | 168.7 | 132.5 | 0 | 0 | 111.5 | D844 E850 | D844-M846 PolarHBondContact O-N 2.87Å; M846-E850 WeakPolarHBondContact CE-OE2 3.03Å | ||
| 847 | D | 38 | Very low | 38.6 | Very low | 123 Ų | 123 | 116.7 Ų | 116.7 | 66% | 0.658 | 64% | 0.635 | S | S | * | * | trans | -83.8 | 160.3 | -158 | -147.5 | -33 | 0 | 0 | 0 | 113.8 | E849 E850 | D847-E849 PolarHBondContact O-N 3.01Å; D847-E849 VanDerWaalsContact O-N 3.12Å; D847-E850 PolarHBondContact O-N 2.93Å | ||
| 848 | S | 40.6 | Very low | 39.6 | Very low | 90 Ų | 90 | 115.1 Ų | 115.1 | 63% | 0.629 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -51.9 | -30.3 | -179.9 | 55.9 | 0 | 0 | 0 | 0 | 114.6 | ||
| 849 | E | 43.3 | Very low | 40.2 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.5 | -31.4 | 178.2 | -164.4 | 167.8 | -152.4 | 0 | 0 | 112.8 | D847 V852 L853 N996 | D847-E849 PolarHBondContact O-N 3.01Å; D847-E849 VanDerWaalsContact O-N 3.12Å; E849-V852 PolarHBondContact O-N 2.77Å; E849-L853 WeakPolarHBondContact O-CG 3.18Å; E849-L853 PolarHBondContact O-N 3.27Å; E849-N996 PolarHBondContact OE1-ND2 3.09Å |
| 850 | E | 47 | Very low | 40.7 | Very low | 58 Ų | 58 | 118.5 Ų | 118.5 | 27% | 0.271 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -76.4 | -28.7 | -177.3 | -157.5 | -168.8 | 145.8 | 0 | 0 | 112.8 | M846 D847 V852 L853 K854 | M846-E850 WeakPolarHBondContact CE-OE2 3.03Å; D847-E850 PolarHBondContact O-N 2.93Å; E850-V852 VanDerWaalsContact C-N 3.34Å; E850-L853 PolarHBondContact O-N 2.86Å; E850-K854 PolarHBondContact O-N 2.73Å; E850-K854 IonicContact OE1-NZ 2.85Å; E850-K854 PolarHBondContact OE1-NZ 2.78Å |
| 851 | A | 46.8 | Very low | 41.2 | Very low | 59 Ų | 59 | 117.9 Ų | 117.9 | 49% | 0.488 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.5 | -38.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | K854 I855 | A851-K854 PolarHBondContact O-N 2.8Å; A851-I855 WeakPolarHBondContact O-CG1 3.34Å; A851-I855 PolarHBondContact O-N 2.74Å; A851-I855 VanDerWaalsContact O-N 3.17Å |
| 852 | V | 44.8 | Very low | 41.6 | Very low | 84 Ų | 84 | 111.8 Ų | 111.8 | 51% | 0.509 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -69.7 | -42.5 | 174.9 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | E849 E850 K854 I855 L856 | E849-V852 PolarHBondContact O-N 2.77Å; E850-V852 VanDerWaalsContact C-N 3.34Å; V852-K854 PolarHBondContact O-N 2.81Å; V852-I855 PolarHBondContact O-N 2.72Å; V852-I855 VanDerWaalsContact O-N 3.16Å; V852-L856 HydrophobicContact CG1-CD1 4.1Å; V852-L856 PolarHBondContact O-N 3.49Å |
| 853 | L | 54.9 | Low | 41.7 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 51% | 0.513 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -57.9 | -44.2 | 172.4 | -78.1 | 165.6 | 0 | 0 | 0 | 111.9 | E849 E850 I855 L856 E857 | E849-L853 WeakPolarHBondContact O-CG 3.18Å; E849-L853 PolarHBondContact O-N 3.27Å; E850-L853 PolarHBondContact O-N 2.86Å; L853-I855 VanDerWaalsContact C-N 3.32Å; L853-I855 PolarHBondContact O-N 3.19Å; L853-L856 CarbonylContact O-C 3.51Å; L853-L856 PolarHBondContact O-N 2.96Å; L853-E857 WeakPolarHBondContact O-CB 3.3Å; L853-E857 PolarHBondContact O-N 3.04Å |
| 854 | K | 53.2 | Low | 41.6 | Very low | 116 Ų | 116 | 112 Ų | 112 | 50% | 0.504 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64.7 | -29.9 | 175.8 | -85 | 166.4 | 174.4 | 141.9 | 0 | 114 | E850 A851 V852 K858 | E850-K854 PolarHBondContact O-N 2.73Å; E850-K854 IonicContact OE1-NZ 2.85Å; E850-K854 PolarHBondContact OE1-NZ 2.78Å; A851-K854 PolarHBondContact O-N 2.8Å; V852-K854 PolarHBondContact O-N 2.81Å; K854-K858 VanDerWaalsContact O-CB 3.31Å; K854-K858 WeakPolarHBondContact O-CB 3.47Å; K854-K858 PolarHBondContact O-N 2.81Å |
| 855 | I | 51.2 | Low | 41.6 | Very low | 109 Ų | 109 | 110.5 Ų | 110.5 | 56% | 0.559 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -72.9 | -43.7 | 173.9 | -68.7 | 164.9 | 0 | 0 | 0 | 110.4 | A851 V852 L853 E857 K858 Y859 | A851-I855 WeakPolarHBondContact O-CG1 3.34Å; A851-I855 PolarHBondContact O-N 2.74Å; A851-I855 VanDerWaalsContact O-N 3.17Å; V852-I855 PolarHBondContact O-N 2.72Å; V852-I855 VanDerWaalsContact O-N 3.16Å; L853-I855 VanDerWaalsContact C-N 3.32Å; L853-I855 PolarHBondContact O-N 3.19Å; I855-E857 VanDerWaalsContact C-N 3.32Å; I855-E857 PolarHBondContact O-N 3.1Å; I855-K858 PolarHBondContact O-N 3Å; I855-Y859 PolarHBondContact O-N 3.25Å; I855-Y859 VanDerWaalsContact O-N 3.15Å |
| 856 | L | 45.8 | Very low | 41.5 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 47% | 0.466 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -64.5 | -35.5 | 173.1 | -72.9 | 165.8 | 0 | 0 | 0 | 112.3 | V852 L853 Y859 R860 | V852-L856 HydrophobicContact CG1-CD1 4.1Å; V852-L856 PolarHBondContact O-N 3.49Å; L853-L856 CarbonylContact O-C 3.51Å; L853-L856 PolarHBondContact O-N 2.96Å; L856-Y859 PolarHBondContact O-N 3.04Å; L856-R860 WeakPolarHBondContact O-CB 3.35Å; L856-R860 PolarHBondContact O-N 2.98Å |
| 857 | E | 53.9 | Low | 41.4 | Very low | 128 Ų | 128 | 111.8 Ų | 111.8 | 60% | 0.598 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71 | -35.2 | 176.8 | -167.2 | 165.4 | -127.5 | 0 | 0 | 111.4 | L853 I855 Y859 R860 A861 | L853-E857 WeakPolarHBondContact O-CB 3.3Å; L853-E857 PolarHBondContact O-N 3.04Å; I855-E857 VanDerWaalsContact C-N 3.32Å; I855-E857 PolarHBondContact O-N 3.1Å; E857-Y859 VanDerWaalsContact C-N 3.33Å; E857-Y859 PolarHBondContact O-N 2.83Å; E857-R860 PolarHBondContact O-N 3.07Å; E857-A861 VanDerWaalsContact O-CB 3.28Å; E857-A861 WeakPolarHBondContact O-CB 3.27Å; E857-A861 PolarHBondContact O-N 3.43Å |
| 858 | K | 47.5 | Very low | 40.9 | Very low | 168 Ų | 168 | 113.1 Ų | 113.1 | 73% | 0.73 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -66.2 | -32.6 | 171.8 | -165.8 | 175.5 | -176.7 | -176.4 | 0 | 112.9 | K854 I855 | K854-K858 VanDerWaalsContact O-CB 3.31Å; K854-K858 WeakPolarHBondContact O-CB 3.47Å; K854-K858 PolarHBondContact O-N 2.81Å; I855-K858 PolarHBondContact O-N 3Å |
| 859 | Y | 39.7 | Very low | 40.4 | Very low | 172 Ų | 172 | 114 Ų | 114 | 68% | 0.675 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -79.9 | -33.5 | 171.6 | -91.4 | -82.2 | 0 | 0 | 0 | 113.2 | I855 L856 E857 A861 S862 | I855-Y859 PolarHBondContact O-N 3.25Å; I855-Y859 VanDerWaalsContact O-N 3.15Å; L856-Y859 PolarHBondContact O-N 3.04Å; E857-Y859 VanDerWaalsContact C-N 3.33Å; E857-Y859 PolarHBondContact O-N 2.83Å; Y859-A861 VanDerWaalsContact C-N 3.35Å; Y859-S862 PolarHBondContact O-N 2.76Å; Y859-S862 PolarHBondContact O-OG 2.94Å |
| 860 | R | 39 | Very low | 39.7 | Very low | 199 Ų | 199 | 115.8 Ų | 115.8 | 75% | 0.751 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.2 | -37.4 | 169.2 | -87.6 | -179.7 | 166.1 | 167 | -2.6 | 112.2 | L856 E857 S862 V863 | L856-R860 WeakPolarHBondContact O-CB 3.35Å; L856-R860 PolarHBondContact O-N 2.98Å; E857-R860 PolarHBondContact O-N 3.07Å; R860-S862 VanDerWaalsContact C-N 3.25Å; R860-S862 PolarHBondContact O-N 3.27Å; R860-V863 CarbonylContact O-C 3.51Å; R860-V863 PolarHBondContact O-N 3.47Å; R860-V863 VanDerWaalsContact O-N 3.1Å |
| 861 | A | 39.5 | Very low | 38.7 | Very low | 73 Ų | 73 | 117.7 Ų | 117.7 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -21.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | E857 Y859 | E857-A861 VanDerWaalsContact O-CB 3.28Å; E857-A861 WeakPolarHBondContact O-CB 3.27Å; E857-A861 PolarHBondContact O-N 3.43Å; Y859-A861 VanDerWaalsContact C-N 3.35Å |
| 862 | S | 36.3 | Very low | 37.9 | Very low | 85 Ų | 85 | 122.3 Ų | 122.3 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | 0.2 | 171.9 | 54.8 | 0 | 0 | 0 | 0 | 114.1 | Y859 R860 | Y859-S862 PolarHBondContact O-N 2.76Å; Y859-S862 PolarHBondContact O-OG 2.94Å; R860-S862 VanDerWaalsContact C-N 3.25Å; R860-S862 PolarHBondContact O-N 3.27Å |
| 863 | V | 31.7 | Very low | 37 | Very low | 110 Ų | 110 | 125 Ų | 125 | 67% | 0.667 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -133.5 | 67 | 175.4 | -170.6 | 0 | 0 | 0 | 0 | 108.7 | R860 P865 | R860-V863 CarbonylContact O-C 3.51Å; R860-V863 PolarHBondContact O-N 3.47Å; R860-V863 VanDerWaalsContact O-N 3.1Å; V863-P865 VanDerWaalsContact O-CD 3.25Å; V863-P865 WeakPolarHBondContact O-CD 3.43Å |
| 864 | S | 28.7 | Very low | 35.8 | Very low | 100 Ų | 100 | 130.1 Ų | 130.1 | 70% | 0.699 | 70% | 0.695 | S | S | * | * | trans | -73.9 | 116.7 | 177.7 | -67.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 865 | P | 28.9 | Very low | 34.4 | Very low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | trans | -75.6 | 144.3 | 166.1 | 33.4 | -32.7 | 0 | 0 | 0 | 109.4 | V863 P867 | V863-P865 VanDerWaalsContact O-CD 3.25Å; V863-P865 WeakPolarHBondContact O-CD 3.43Å; P865-P867 WeakPolarHBondContact O-CD 3.25Å | ||
| 866 | N | 30.3 | Very low | 33.2 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 90% | 0.904 | 71% | 0.711 | S | S | * | * | trans | -114.8 | 88.9 | -177.1 | -162.1 | 36.8 | 0 | 0 | 0 | 110.6 | ||||
| 867 | P | 27.9 | Very low | 32.3 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 60% | 0.604 | 73% | 0.726 | S | S | * | * | trans | -94.9 | 165.9 | 171.4 | 36.8 | -33.1 | 0 | 0 | 0 | 112.7 | P865 | P865-P867 WeakPolarHBondContact O-CD 3.25Š| ||
| 868 | D | 28.1 | Very low | 31 | Very low | 152 Ų | 152 | 129 Ų | 129 | 81% | 0.813 | 73% | 0.73 | S | S | * | * | trans | 72.4 | 92.3 | 170.4 | -57.9 | -15.5 | 0 | 0 | 0 | 118.5 | ||||
| 869 | S | 30 | Very low | 30 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | -172.9 | 129.6 | 99.4 | 37.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 870 | N | 28.1 | Very low | 29.3 | Very low | 146 Ų | 146 | 129.6 Ų | 129.6 | 78% | 0.781 | 73% | 0.731 | S | S | * | * | trans | 55.8 | 101.6 | 144.5 | -61.2 | -19.9 | 0 | 0 | 0 | 120.3 | ||||
| 871 | S | 25.7 | Very low | 28.9 | Very low | 98 Ų | 98 | 129.9 Ų | 129.9 | 69% | 0.685 | 74% | 0.738 | S | S | * | * | 48.4 | 118.8 | 121.8 | 69.2 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 872 | I | 30 | Very low | 28.3 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | -173.7 | 139.2 | 100.2 | -93.5 | 154.3 | 0 | 0 | 0 | 108.2 | |||||
| 873 | D | 25.7 | Very low | 28 | Very low | 140 Ų | 140 | 131.2 Ų | 131.2 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | trans | -55.3 | 153.1 | 171.2 | -53.3 | -78.5 | 0 | 0 | 0 | 111.5 | ||||
| 874 | F | 29.4 | Very low | 28.3 | Very low | 207 Ų | 207 | 131 Ų | 131 | 91% | 0.908 | 75% | 0.748 | S | S | * | * | -169.4 | 104.4 | 116.1 | -114.9 | -87.8 | 0 | 0 | 0 | 109.9 | |||||
| 875 | D | 24.5 | Very low | 28.5 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 84% | 0.84 | 76% | 0.76 | S | S | * | * | trans | -57.2 | 158.5 | 152.5 | 179.4 | 24.8 | 0 | 0 | 0 | 109.8 | ||||
| 876 | G | 27.1 | Very low | 28.5 | Very low | 55 Ų | 55 | 134.5 Ų | 134.5 | 57% | 0.567 | 76% | 0.76 | S | S | * | * | trans | 120 | 57.2 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 877 | A | 25.6 | Very low | 28.5 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | 63.6 | -173.3 | 121.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 878 | V | 26.4 | Very low | 28.7 | Very low | 111 Ų | 111 | 134.2 Ų | 134.2 | 67% | 0.673 | 77% | 0.77 | S | S | * | * | trans | 79.5 | 88.9 | 159.1 | -171.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 879 | K | 26.9 | Very low | 28.8 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | 67.5 | 133.4 | 125 | -65.4 | 175.3 | -157.6 | 155.7 | 0 | 120.2 | |||||
| 880 | R | 25.1 | Very low | 29.7 | Very low | 202 Ų | 202 | 132.2 Ų | 132.2 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | trans | 54.1 | 106.6 | 132.2 | -59.2 | 168.2 | -174.5 | 174.2 | -3 | 117 | ||||
| 881 | F | 31.1 | Very low | 30.2 | Very low | 205 Ų | 205 | 130.6 Ų | 130.6 | 90% | 0.899 | 76% | 0.763 | S | S | * | * | -163.3 | 103.2 | 113.7 | -81.5 | -66.9 | 0 | 0 | 0 | 105.2 | |||||
| 882 | A | 27.2 | Very low | 30.7 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | 59.7 | 87.5 | 79 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 883 | S | 29.2 | Very low | 31 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | 49.5 | 165.4 | 113.2 | 67.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 884 | P | 38.5 | Very low | 31.4 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | cis | -135.7 | -170.4 | -42.8 | 38.1 | -20.9 | 0 | 0 | 0 | 110.8 | ||||
| 885 | F | 32 | Very low | 31.4 | Very low | 215 Ų | 215 | 127.8 Ų | 127.8 | 94% | 0.943 | 76% | 0.756 | S | S | * | * | trans | 164.6 | 135 | 144.4 | -93.3 | -67.2 | 0 | 0 | 0 | 108.6 | ||||
| 886 | G | 29.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 129.2 Ų | 129.2 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | cis | 160.1 | 133.1 | -12.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 887 | G | 30.1 | Very low | 32 | Very low | 77 Ų | 77 | 131.1 Ų | 131.1 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | trans | 91.4 | 143.9 | 162 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 888 | L | 31.8 | Very low | 32.4 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | cis | -135.3 | 147.5 | 12.8 | -80.3 | 159.6 | 0 | 0 | 0 | 113.2 | ||||
| 889 | S | 30.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 138.7 Ų | 138.7 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | trans | -149.5 | -156.8 | 170.3 | 54.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 890 | P | 49.1 | Very low | 32.7 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | -95.6 | -159.4 | -124.5 | 43.1 | -28.4 | 0 | 0 | 0 | 114 | |||||
| 891 | P | 39.9 | Very low | 32.9 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | -148.2 | 175.6 | 123.1 | 36.2 | -19.4 | 0 | 0 | 0 | 113.4 | |||||
| 892 | D | 35.6 | Very low | 32.6 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 67% | 0.674 | 78% | 0.779 | S | S | * | * | cis | -172.3 | 135.5 | -27.3 | -93.8 | -22.6 | 0 | 0 | 0 | 107 | ||||
| 893 | I | 36.2 | Very low | 32.6 | Very low | 140 Ų | 140 | 135.9 Ų | 135.9 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | 64.6 | 143.4 | 95.1 | -61.1 | 174.6 | 0 | 0 | 0 | 113.7 | |||||
| 894 | P | 34 | Very low | 32.4 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -138.6 | 163.3 | 24.7 | 20.7 | 6.8 | 0 | 0 | 0 | 121.9 | ||||
| 895 | L | 29.6 | Very low | 31.9 | Very low | 157 Ų | 157 | 136.1 Ų | 136.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -51 | 156.4 | 163.4 | -59.6 | 146.3 | 0 | 0 | 0 | 118.9 | ||||
| 896 | Q | 34 | Very low | 31.6 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | -167.4 | 108.3 | 128.8 | -109.3 | 168.7 | 34.4 | 0 | 0 | 116.7 | |||||
| 897 | S | 29.4 | Very low | 31.6 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 66% | 0.664 | 79% | 0.788 | S | S | * | * | trans | 25.2 | 125.4 | 142.9 | 61.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 898 | R | 34.6 | Very low | 31.4 | Very low | 222 Ų | 222 | 145.1 Ų | 145.1 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | 177.8 | 132.4 | 105.7 | -97.2 | 172.5 | 176.9 | 151.9 | 1.2 | 113.2 | |||||
| 899 | D | 32.4 | Very low | 31.1 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | 39.5 | 128 | 148.4 | -39.3 | -37.9 | 0 | 0 | 0 | 118.8 | ||||
| 900 | L | 27 | Very low | 30.8 | Very low | 152 Ų | 152 | 144.9 Ų | 144.9 | 80% | 0.796 | 79% | 0.786 | S | S | * | * | cis | -168.7 | 69.6 | 29.1 | -150.3 | 164.3 | 0 | 0 | 0 | 111.7 | ||||
| 901 | H | 29.9 | Very low | 29.7 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -146.6 | 126.9 | -178.7 | -80.1 | 84.2 | 0 | 0 | 0 | 114.4 | ||||
| 902 | S | 25.1 | Very low | 29 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | 154.2 | 134.3 | 156.8 | 45.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 903 | P | 26.9 | Very low | 28.6 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 73% | 0.734 | 79% | 0.793 | S | S | * | * | -130.7 | 158 | 70.6 | 38.9 | -27.5 | 0 | 0 | 0 | 116.1 | S905 | P903-S905 PolarHBondContact O-N 3.41Š| |||
| 904 | S | 25 | Very low | 28.6 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -37 | 112.3 | 154 | 49.4 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 905 | S | 27.4 | Very low | 29 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -176.3 | 62 | 150.4 | 42.4 | 0 | 0 | 0 | 0 | 110.8 | P903 H907 | P903-S905 PolarHBondContact O-N 3.41Å; S905-H907 PolarHBondContact O-N 2.98Å | ||
| 906 | L | 26.1 | Very low | 30.5 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | -70.9 | 105.1 | 174.6 | -131.1 | 76.7 | 0 | 0 | 0 | 109.7 | K908 | L906-K908 PolarHBondContact O-N 2.75Š| ||
| 907 | H | 29.6 | Very low | 32.7 | Very low | 176 Ų | 176 | 133.8 Ų | 133.8 | 82% | 0.815 | 74% | 0.737 | S | S | * | * | trans | 28.7 | 77.3 | 160.4 | -72.6 | 77.7 | 0 | 0 | 0 | 116.2 | S905 Q909 | S905-H907 PolarHBondContact O-N 2.98Å; H907-Q909 VanDerWaalsContact C-N 3.27Å; H907-Q909 PolarHBondContact O-N 2.98Å | ||
| 908 | K | 26.5 | Very low | 35.4 | Very low | 208 Ų | 208 | 135.6 Ų | 135.6 | 90% | 0.904 | 74% | 0.735 | S | S | * | * | trans | -59.7 | 98.8 | 146.2 | -76.1 | -175.2 | 173.9 | -173.8 | 0 | 107.6 | L906 | L906-K908 PolarHBondContact O-N 2.75Š| ||
| 909 | Q | 24.5 | Very low | 38 | Very low | 163 Ų | 163 | 126.5 Ų | 126.5 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | trans | -51.5 | 142.8 | 147.9 | -73.4 | 176.7 | -24.4 | 0 | 0 | 107.3 | H907 V911 | H907-Q909 VanDerWaalsContact C-N 3.27Å; H907-Q909 PolarHBondContact O-N 2.98Å; Q909-V911 PolarHBondContact O-N 3.3Å | ||
| 910 | P | 23.9 | Very low | 40.7 | Very low | 124 Ų | 124 | 122.6 Ų | 122.6 | 81% | 0.805 | 69% | 0.685 | S | S | * | * | trans | -72.5 | 82 | 178.5 | 31.2 | -34 | 0 | 0 | 0 | 109.1 | A912 | P910-A912 VanDerWaalsContact C-N 3.33Å; P910-A912 PolarHBondContact O-N 3.2Å | ||
| 911 | V | 25.2 | Very low | 43.8 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 76% | 0.764 | 65% | 0.649 | S | S | * | * | trans | -54.7 | 109.2 | 149.2 | -178.3 | 0 | 0 | 0 | 0 | 104.4 | Q909 S913 | Q909-V911 PolarHBondContact O-N 3.3Å; V911-S913 PolarHBondContact O-N 3.16Å | ||
| 912 | A | 26.4 | Very low | 46.7 | Very low | 96 Ų | 96 | 112.5 Ų | 112.5 | 79% | 0.793 | 64% | 0.635 | S | S | * | * | trans | -71.4 | 73.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P910 C914 | P910-A912 VanDerWaalsContact C-N 3.33Å; P910-A912 PolarHBondContact O-N 3.2Å; A912-C914 PolarHBondContact O-N 3.33Å | ||
| 913 | S | 27.1 | Very low | 49.7 | Very low | 95 Ų | 95 | 106.9 Ų | 106.9 | 66% | 0.664 | 60% | 0.595 | S | S | * | * | trans | -66.9 | 88.7 | 171 | 62.1 | 0 | 0 | 0 | 0 | 107.7 | V911 Q915 | V911-S913 PolarHBondContact O-N 3.16Å; S913-Q915 PolarHBondContact O-N 2.89Å | ||
| 914 | C | 36.6 | Very low | 52.5 | Low | 83 Ų | 83 | 107.2 Ų | 107.2 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | trans | -59.2 | 110.8 | 180 | -169.5 | 0 | 0 | 0 | 0 | 109.2 | A912 Q916 D1007 | A912-C914 PolarHBondContact O-N 3.33Å; C914-Q916 PolarHBondContact O-N 3.01Å; C914-D1007 VanDerWaalsContact SG-CB 3.58Å; C914-D1007 PolarHBondContact SG-OD1 3.33Å; C914-D1007 VanDerWaalsContact SG-OD1 3.36Å | ||
| 915 | Q | 42.4 | Very low | 55.2 | Low | 117 Ų | 117 | 103.4 Ų | 103.4 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | trans | -80.2 | 115.2 | 173.2 | -68.9 | -173.6 | -15 | 0 | 0 | 107.9 | S913 I1008 | S913-Q915 PolarHBondContact O-N 2.89Å; Q915-I1008 HydrophobicContact CB-CD1 4.01Å; Q915-I1008 WeakPolarHBondContact O-CB 3.21Å; Q915-I1008 WeakPolarHBondContact O-CG1 3.46Å; Q915-I1008 PolarHBondContact O-N 3.41Å | ||
| 916 | Q | 60.5 | Low | 57.6 | Low | 92 Ų | 92 | 105.4 Ų | 105.4 | 43% | 0.43 | 55% | 0.552 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.3 | 120.6 | 172.9 | -73.2 | -174.2 | -19.3 | 0 | 0 | 110.3 | C914 R1006 D1007 | C914-Q916 PolarHBondContact O-N 3.01Å; Q916-R1006 CarbonylContact C-O 3.22Å; Q916-R1006 WeakPolarHBondContact CA-O 3.34Å; Q916-D1007 VanDerWaalsContact CG-OD1 3.31Å; Q916-D1007 WeakPolarHBondContact CG-OD1 3.32Å; Q916-D1007 PolarHBondContact NE2-OD1 3.38Å |
| 917 | E | 81.1 | Confident | 59.6 | Low | 104 Ų | 104 | 101.9 Ų | 101.9 | 49% | 0.486 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.4 | 167.3 | -175.8 | 175.5 | -151 | 0 | 0 | 109.2 | V919 R1006 I1008 | E917-V919 HydrophobicContact CG-CG2 3.9Å; E917-R1006 PolarHBondContact N-O 3.07Å; E917-R1006 PolarHBondContact O-N 2.69Å; E917-I1008 HydrophobicContact CB-CD1 3.91Å; E917-I1008 HydrophobicContact CB-CG1 3.66Å |
| 918 | Q | 86 | Confident | 61.2 | Low | 133 Ų | 133 | 101.5 Ų | 101.5 | 62% | 0.621 | 54% | 0.543 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 114.9 | 169.7 | -69 | -171.3 | 6 | 0 | 0 | 109.8 | L974 L1003 V1004 | Q918-L974 HydrophobicContact CG-CD1 4.03Å; Q918-L1003 HydrophobicContact CB-CD1 4.19Å; Q918-V1004 CarbonylContact C-O 3.16Å; Q918-V1004 VanDerWaalsContact CA-O 3.3Å; Q918-V1004 WeakPolarHBondContact CA-O 3.26Å |
| 919 | V | 87.8 | Confident | 63.3 | Low | 32 Ų | 32 | 93.2 Ų | 93.2 | 19% | 0.194 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 136.4 | -179.6 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | E917 V921 V1004 | E917-V919 HydrophobicContact CG-CG2 3.9Å; V919-V921 HydrophobicContact CG1-CG2 4.27Å; V919-V1004 HydrophobicContact CB-CG2 3.83Å; V919-V1004 PolarHBondContact N-O 2.89Å; V919-V1004 PolarHBondContact O-N 2.7Å |
| 920 | V | 90.6 | Very high | 65.9 | Low | 60 Ų | 60 | 88.2 Ų | 88.2 | 36% | 0.364 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.8 | 171.5 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | R1001 I1002 L1003 | V920-R1001 HydrophobicContact CG1-CG 3.68Å; V920-I1002 CarbonylContact C-O 3.36Å; V920-I1002 WeakPolarHBondContact CA-O 3.48Å; V920-L1003 HydrophobicContact CG2-CD1 3.72Å |
| 921 | V | 90.9 | Very high | 68.8 | Low | 5 Ų | 5 | 83.2 Ų | 83.2 | 3% | 0.03 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.9 | 177.3 | 174.1 | 0 | 0 | 0 | 0 | 109.2 | V919 I923 L967 I1002 V1004 | V919-V921 HydrophobicContact CG1-CG2 4.27Å; V921-I923 HydrophobicContact CG1-CG1 4.04Å; V921-L967 HydrophobicContact CB-CD1 4Å; V921-L967 HydrophobicContact CG1-CB 4.37Å; V921-L967 HydrophobicContact CG1-CD1 3.95Å; V921-L967 HydrophobicContact CG2-CD1 4.01Å; V921-I1002 PolarHBondContact N-O 3Å; V921-I1002 PolarHBondContact O-N 2.72Å; V921-V1004 HydrophobicContact CG2-CG2 4.44Å |
| 922 | H | 90.8 | Very high | 71.7 | Confident | 125 Ų | 125 | 78.4 Ų | 78.4 | 58% | 0.579 | 45% | 0.449 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 118 | 177.9 | -76.9 | -89 | 0 | 0 | 0 | 110.1 | S965 F1000 | H922-S965 WeakPolarHBondContact O-CB 3.49Å; H922-F1000 CarbonylContact C-O 3.13Å; H922-F1000 VanDerWaalsContact CA-O 3.32Å; H922-F1000 WeakPolarHBondContact CA-O 3.29Å |
| 923 | I | 88.9 | Confident | 74.8 | Confident | 3 Ų | 3 | 75.2 Ų | 75.2 | 2% | 0.015 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 124.9 | 178.7 | -45 | 175.6 | 0 | 0 | 0 | 109.2 | V921 L931 L961 A962 F1000 I1002 | V921-I923 HydrophobicContact CG1-CG1 4.04Å; I923-L931 HydrophobicContact CB-CD2 4.39Å; I923-L931 HydrophobicContact CD1-CD2 4.27Å; I923-L931 HydrophobicContact CG2-CD2 3.86Å; I923-L961 HydrophobicContact CG2-CB 3.73Å; I923-A962 HydrophobicContact CD1-CB 4.07Å; I923-F1000 HydrophobicContact CB-CB 4.23Å; I923-F1000 PolarHBondContact N-O 2.77Å; I923-F1000 PolarHBondContact O-N 3.44Å; I923-I1002 HydrophobicContact CD1-CD1 3.72Å |
| 924 | H | 86 | Confident | 77.7 | Confident | 121 Ų | 121 | 73.1 Ų | 73.1 | 56% | 0.56 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 122.7 | 171.2 | -170.1 | 71.5 | 0 | 0 | 0 | 110 | N998 D999 | H924-N998 CarbonylContact C-O 3.52Å; H924-N998 WeakPolarHBondContact CA-O 3.43Å; H924-D999 IonicContact CE1-OD1 2.69Å; H924-D999 IonicContact CG-OD1 3.86Å; H924-D999 IonicContact ND1-OD1 2.95Å; H924-D999 PolarHBondContact ND1-OD1 3.15Å |
| 925 | R | 81.9 | Confident | 80.4 | Confident | 33 Ų | 33 | 70.1 Ų | 70.1 | 13% | 0.125 | 38% | 0.382 | C | S | . | . | trans | -112.1 | 124.8 | -171.7 | -162.3 | -169.5 | 86.4 | 177.8 | 0.9 | 109.7 | A929 L931 L961 N998 F1000 | R925-A929 WeakPolarHBondContact CD-O 3.47Å; R925-A929 HydrophobicContact CG-CB 4.25Å; R925-A929 VanDerWaalsContact CG-O 3.24Å; R925-A929 WeakPolarHBondContact CG-O 3.38Å; R925-A929 PolarHBondContact NE-O 3.34Å; R925-L931 HydrophobicContact CG-CD2 4.37Å; R925-L961 HydrophobicContact CB-CD1 4.23Å; R925-L961 HydrophobicContact CG-CD1 3.91Å; R925-N998 PolarHBondContact N-O 2.98Å; R925-N998 WeakPolarHBondContact O-CB 3.36Å; R925-F1000 HydrophobicContact CB-CE2 4.4Å | ||
| 926 | Q | 76.1 | Confident | 82.4 | Confident | 147 Ų | 147 | 65.7 Ų | 65.7 | 69% | 0.687 | 37% | 0.366 | S | S | * | . | trans | -66.1 | 151.7 | 167.3 | -69.4 | -168 | -4.7 | 0 | 0 | 110.2 | N928 A929 | Q926-N928 PolarHBondContact O-N 2.79Å; Q926-A929 HydrophobicContact CB-CB 4.2Å; Q926-A929 WeakPolarHBondContact O-CB 3.18Å; Q926-A929 PolarHBondContact O-N 2.78Å | ||
| 927 | P | 69.1 | Low | 83.7 | Confident | 96 Ų | 96 | 61.4 Ų | 61.4 | 62% | 0.623 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.6 | 133.5 | 171.7 | -26.8 | 35.4 | 0 | 0 | 0 | 111 | A929 | P927-A929 PolarHBondContact O-N 3.48Š|
| 928 | N | 62.9 | Low | 83.9 | Confident | 168 Ų | 168 | 56.5 Ų | 56.5 | 90% | 0.898 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64 | 5.7 | -177.3 | -51.7 | -15.3 | 0 | 0 | 0 | 116.9 | Q926 | Q926-N928 PolarHBondContact O-N 2.79Š|
| 929 | A | 70 | Confident | 83.3 | Confident | 34 Ų | 34 | 52.4 Ų | 52.4 | 28% | 0.281 | 31% | 0.308 | S | S | . | . | trans | -82.9 | 142.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | R925 Q926 P927 L961 | R925-A929 WeakPolarHBondContact CD-O 3.47Å; R925-A929 HydrophobicContact CG-CB 4.25Å; R925-A929 VanDerWaalsContact CG-O 3.24Å; R925-A929 WeakPolarHBondContact CG-O 3.38Å; R925-A929 PolarHBondContact NE-O 3.34Å; Q926-A929 HydrophobicContact CB-CB 4.2Å; Q926-A929 WeakPolarHBondContact O-CB 3.18Å; Q926-A929 PolarHBondContact O-N 2.78Å; P927-A929 PolarHBondContact O-N 3.48Å; A929-L961 HydrophobicContact CB-CD1 4.28Å | ||
| 930 | G | 78.9 | Confident | 82.6 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | trans | -81.2 | 152.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G932 | G930-G932 VanDerWaalsContact C-N 3.29Å; G930-G932 PolarHBondContact O-N 3.19Å | ||
| 931 | L | 85.3 | Confident | 81.9 | Confident | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | trans | -67.3 | -27.5 | 176 | -68.2 | 175.2 | 0 | 0 | 0 | 113 | I923 R925 L933 L961 A962 L993 F1000 | I923-L931 HydrophobicContact CB-CD2 4.39Å; I923-L931 HydrophobicContact CD1-CD2 4.27Å; I923-L931 HydrophobicContact CG2-CD2 3.86Å; R925-L931 HydrophobicContact CG-CD2 4.37Å; L931-L933 HydrophobicContact CB-CD2 4.06Å; L931-L933 HydrophobicContact CB-CG 4.25Å; L931-L933 HydrophobicContact CD1-CD2 4.22Å; L931-L961 PolarHBondContact O-N 2.78Å; L931-A962 VanDerWaalsContact O-CB 3.28Å; L931-A962 WeakPolarHBondContact O-CB 3.38Å; L931-A962 PolarHBondContact O-N 2.76Å; L931-L993 HydrophobicContact CD1-CD2 4.44Å; L931-L993 WeakPolarHBondContact CD1-O 3.46Å; L931-F1000 HydrophobicContact CD1-CD1 4.31Å; L931-F1000 HydrophobicContact CD1-CE1 4.08Å; L931-F1000 HydrophobicContact CD1-CE2 4.4Å; L931-F1000 HydrophobicContact CD1-CZ 4.13Å; L931-F1000 HydrophobicContact CD2-CD2 3.82Å; L931-F1000 HydrophobicContact CD2-CE2 3.88Å; L931-F1000 HydrophobicContact CD2-CG 4.33Å; L931-F1000 HydrophobicContact CD2-CZ 4.42Å | ||
| 932 | G | 86.4 | Confident | 80.9 | Confident | 25 Ų | 25 | 58.3 Ų | 58.3 | 26% | 0.258 | 35% | 0.35 | S | S | . | . | trans | 74.4 | 32.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G930 N957 | G930-G932 VanDerWaalsContact C-N 3.29Å; G930-G932 PolarHBondContact O-N 3.19Å; G932-N957 PolarHBondContact O-N 2.8Å | ||
| 933 | L | 90.9 | Very high | 80.1 | Confident | 29 Ų | 29 | 54.3 Ų | 54.3 | 15% | 0.152 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.8 | 172.2 | 69.5 | 90.5 | 0 | 0 | 0 | 110.1 | L931 V935 L956 A962 L967 L993 | L931-L933 HydrophobicContact CB-CD2 4.06Å; L931-L933 HydrophobicContact CB-CG 4.25Å; L931-L933 HydrophobicContact CD1-CD2 4.22Å; L933-V935 HydrophobicContact CD1-CG1 3.8Å; L933-L956 HydrophobicContact CB-CD1 4.34Å; L933-A962 HydrophobicContact CB-CB 3.8Å; L933-A962 HydrophobicContact CD2-CB 3.82Å; L933-A962 HydrophobicContact CG-CB 4.33Å; L933-L967 HydrophobicContact CB-CD2 4.31Å; L933-L967 HydrophobicContact CD2-CD2 3.8Å; L933-L993 HydrophobicContact CD1-CD1 4.17Å; L933-L993 HydrophobicContact CD2-CD2 4.49Å |
| 934 | S | 89.4 | Confident | 79.5 | Confident | 52 Ų | 52 | 57.9 Ų | 57.9 | 36% | 0.364 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 145.7 | 164.9 | -52.8 | 0 | 0 | 0 | 0 | 108.8 | S954 R955 | S934-S954 PolarHBondContact O-N 3.48Å; S934-S954 PolarHBondContact O-OG 2.88Å; S934-R955 PolarHBondContact N-O 3.43Å; S934-R955 PolarHBondContact O-N 3.26Å |
| 935 | V | 91.7 | Very high | 79 | Confident | 19 Ų | 19 | 56.9 Ų | 56.9 | 12% | 0.115 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 155 | 175.1 | -67.8 | 0 | 0 | 0 | 0 | 111.2 | L933 I951 F952 S954 L973 H986 V990 L993 | L933-V935 HydrophobicContact CD1-CG1 3.8Å; V935-I951 HydrophobicContact CB-CG2 3.85Å; V935-I951 HydrophobicContact CG1-CG2 3.88Å; V935-I951 HydrophobicContact CG2-CG2 4.35Å; V935-F952 CarbonylContact C-O 3.58Å; V935-F952 WeakPolarHBondContact CA-O 3.38Å; V935-S954 VanDerWaalsContact C-OG 3.24Å; V935-S954 PolarHBondContact O-OG 3.38Å; V935-L973 HydrophobicContact CG1-CD1 3.61Å; V935-H986 PolarHBondContact O-CE1 3.42Å; V935-V990 HydrophobicContact CG2-CG2 3.96Å; V935-L993 HydrophobicContact CG1-CD1 3.78Å; V935-L993 HydrophobicContact CG2-CD1 4.26Å |
| 936 | A | 86.2 | Confident | 78.5 | Confident | 24 Ų | 24 | 58.6 Ų | 58.6 | 20% | 0.198 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 170.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.2 | F944 F952 | A936-F944 HydrophobicContact CB-CB 4.1Å; A936-F944 HydrophobicContact CB-CD2 3.52Å; A936-F944 HydrophobicContact CB-CE2 4.23Å; A936-F944 HydrophobicContact CB-CG 4Å; A936-F952 PolarHBondContact N-O 2.85Å; A936-F952 PolarHBondContact O-N 2.93Å |
| 937 | G | 87.7 | Confident | 78.3 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 74 | -170.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S941 G950 H986 | G937-S941 VanDerWaalsContact CA-OG 3.27Å; G937-S941 WeakPolarHBondContact CA-OG 3.49Å; G937-S941 PolarHBondContact O-OG 2.82Å; G937-G950 CarbonylContact C-O 3.52Å; G937-G950 WeakPolarHBondContact CA-O 3.49Å; G937-H986 PolarHBondContact O-ND1 3.48Å |
| 938 | G | 84.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | trans | 112.9 | 154.4 | -164.4 | 0 | 0 | 0 | 0 | 0 | 112 | S941 H949 G950 I951 V984 | G938-S941 PolarHBondContact N-OG 3.34Å; G938-S941 WeakPolarHBondContact O-CB 3.29Å; G938-S941 PolarHBondContact O-N 2.82Å; G938-S941 VanDerWaalsContact O-N 3.13Å; G938-S941 PolarHBondContact O-OG 2.85Å; G938-H949 CarbonylContact C-O 3.44Å; G938-H949 WeakPolarHBondContact CA-O 3.32Å; G938-H949 PolarHBondContact N-O 2.89Å; G938-G950 PolarHBondContact N-O 2.77Å; G938-G950 VanDerWaalsContact N-O 3.1Å; G938-I951 VanDerWaalsContact CA-CD1 3.47Å; G938-V984 WeakPolarHBondContact CA-O 3.14Å | ||
| 939 | V | 74.5 | Confident | 79.7 | Confident | 47 Ų | 47 | 47.5 Ų | 47.5 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -60.6 | 138.6 | 175.8 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | S941 N983 V984 E985 | V939-S941 PolarHBondContact O-N 3.07Å; V939-N983 HydrophobicContact CG2-CB 4.37Å; V939-N983 WeakPolarHBondContact CG2-O 3.25Å; V939-V984 PolarHBondContact N-O 3.49Å; V939-E985 HydrophobicContact CB-CG 4.48Å; V939-E985 WeakPolarHBondContact O-CA 3.32Å |
| 940 | G | 72.7 | Confident | 80.5 | Confident | 58 Ų | 58 | 46.3 Ų | 46.3 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 1.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | R806 | R806-G940 PolarHBondContact NH2-O 3.46Š|
| 941 | S | 75.8 | Confident | 81.2 | Confident | 24 Ų | 24 | 43.5 Ų | 43.5 | 17% | 0.168 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -107.6 | 165.4 | 172.4 | 78.7 | 0 | 0 | 0 | 0 | 112 | G937 G938 V939 | G937-S941 VanDerWaalsContact CA-OG 3.27Å; G937-S941 WeakPolarHBondContact CA-OG 3.49Å; G937-S941 PolarHBondContact O-OG 2.82Å; G938-S941 PolarHBondContact N-OG 3.34Å; G938-S941 WeakPolarHBondContact O-CB 3.29Å; G938-S941 PolarHBondContact O-N 2.82Å; G938-S941 VanDerWaalsContact O-N 3.13Å; G938-S941 PolarHBondContact O-OG 2.85Å; V939-S941 PolarHBondContact O-N 3.07Å |
| 942 | I | 70.1 | Confident | 81.6 | Confident | 140 Ų | 140 | 42.7 Ų | 42.7 | 72% | 0.718 | 27% | 0.266 | S | S | * | . | trans | -63.1 | 127.1 | 172.6 | -58 | 171.6 | 0 | 0 | 0 | 107.6 | F944 | I942-F944 PolarHBondContact O-N 2.79Š| ||
| 943 | P | 73 | Confident | 81.9 | Confident | 40 Ų | 40 | 41.5 Ų | 41.5 | 26% | 0.26 | 25% | 0.254 | S | S | . | . | trans | -55.9 | 137.2 | 177.9 | -25.1 | 33.9 | 0 | 0 | 0 | 112 | G946 | P943-G946 WeakPolarHBondContact CB-O 3.16Š| ||
| 944 | F | 76.6 | Confident | 81.8 | Confident | 79 Ų | 79 | 41.8 Ų | 41.8 | 35% | 0.346 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -81.9 | -23.9 | 178.4 | 178.8 | -104.8 | 0 | 0 | 0 | 113.1 | A936 I942 F952 | A936-F944 HydrophobicContact CB-CB 4.1Å; A936-F944 HydrophobicContact CB-CD2 3.52Å; A936-F944 HydrophobicContact CB-CE2 4.23Å; A936-F944 HydrophobicContact CB-CG 4Å; I942-F944 PolarHBondContact O-N 2.79Å; F944-F952 HydrophobicContact CB-CB 4.28Å; F944-F952 HydrophobicContact CB-CD2 3.85Å; F944-F952 HydrophobicContact CB-CG 4.35Å; F944-F952 HydrophobicContact CD1-CB 3.24Å; F944-F952 HydrophobicContact CD1-CD1 4.19Å; F944-F952 AromaticContact CD1-CD2 3.89Å; F944-F952 HydrophobicContact CD1-CD2 3.89Å; F944-F952 AromaticContact CD1-CG 3.54Å; F944-F952 HydrophobicContact CD1-CG 3.54Å; F944-F952 HydrophobicContact CE1-CB 3.73Å; F944-F952 HydrophobicContact CE1-CG 4.29Å; F944-F952 HydrophobicContact CG-CB 3.94Å; F944-F952 HydrophobicContact CG-CD2 4.31Å; F944-F952 HydrophobicContact CG-CG 4.32Å |
| 945 | R | 75.4 | Confident | 81.7 | Confident | 99 Ų | 99 | 45 Ų | 45 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | B | Isolated β-bridge | trans | -140.5 | 111.2 | 176.9 | -77.8 | 179.7 | 172.8 | -170.1 | -2.5 | 109.9 | L947 D948 F952 D1007 | R945-L947 PolarHBondContact O-N 2.7Å; R945-L947 VanDerWaalsContact O-N 3.15Å; R945-D948 WeakPolarHBondContact O-CB 3.3Å; R945-D948 PolarHBondContact O-N 2.78Å; R945-F952 HydrophobicContact CB-CZ 4.4Å; R945-D1007 IonicContact CZ-OD2 2.69Å; R945-D1007 IonicContact NH1-OD2 3.4Å; R945-D1007 PolarHBondContact NH1-OD2 3.42Å; R945-D1007 IonicContact NH2-OD2 3.7Å |
| 946 | G | 72.3 | Confident | 81.6 | Confident | 70 Ų | 70 | 45.8 Ų | 45.8 | 72% | 0.722 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | -116.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | P943 | P943-G946 WeakPolarHBondContact CB-O 3.16Š|
| 947 | L | 70.3 | Confident | 81.5 | Confident | 78 Ų | 78 | 48.3 Ų | 48.3 | 41% | 0.408 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 15.9 | 176.2 | -61.5 | 174.3 | 0 | 0 | 0 | 113.3 | R945 H949 | R945-L947 PolarHBondContact O-N 2.7Å; R945-L947 VanDerWaalsContact O-N 3.15Å; L947-H949 PolarHBondContact O-N 2.85Å |
| 948 | D | 79.6 | Confident | 80.9 | Confident | 55 Ų | 55 | 53.5 Ų | 53.5 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | B | Isolated β-bridge | trans | -85 | 105.6 | -179.3 | -164.1 | -21.7 | 0 | 0 | 0 | 111.4 | R945 G950 F952 K972 | R945-D948 WeakPolarHBondContact O-CB 3.3Å; R945-D948 PolarHBondContact O-N 2.78Å; D948-G950 PolarHBondContact O-N 2.76Å; D948-G950 PolarHBondContact OD1-N 3.23Å; D948-F952 HydrophobicContact CB-CE2 4.11Å; D948-F952 HydrophobicContact CB-CZ 4.04Å; D948-F952 WeakPolarHBondContact OD2-CZ 3.42Å; D948-K972 IonicContact OD1-NZ 2.87Å; D948-K972 PolarHBondContact OD1-NZ 2.81Å; D948-K972 IonicContact OD2-NZ 3.01Å; D948-K972 PolarHBondContact OD2-NZ 2.86Å |
| 949 | H | 82.5 | Confident | 80.7 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 21% | 0.208 | 34% | 0.344 | C | S | . | . | trans | -77.5 | 12.3 | 175.7 | -58.7 | -81 | 0 | 0 | 0 | 114 | G938 L947 | G938-H949 CarbonylContact C-O 3.44Å; G938-H949 WeakPolarHBondContact CA-O 3.32Å; G938-H949 PolarHBondContact N-O 2.89Å; L947-H949 PolarHBondContact O-N 2.85Å | ||
| 950 | G | 87.7 | Confident | 81 | Confident | 8 Ų | 8 | 57.4 Ų | 57.4 | 8% | 0.082 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -64 | 168 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G937 G938 D948 F952 | G937-G950 CarbonylContact C-O 3.52Å; G937-G950 WeakPolarHBondContact CA-O 3.49Å; G938-G950 PolarHBondContact N-O 2.77Å; G938-G950 VanDerWaalsContact N-O 3.1Å; D948-G950 PolarHBondContact O-N 2.76Å; D948-G950 PolarHBondContact OD1-N 3.23Å; G950-F952 VanDerWaalsContact O-CD2 3.25Å; G950-F952 WeakPolarHBondContact O-CD2 3.3Å |
| 951 | I | 92.9 | Very high | 81.6 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 125.1 | 172.9 | -54.7 | -63.9 | 0 | 0 | 0 | 108.6 | V935 G938 K972 L973 L981 V984 A989 | V935-I951 HydrophobicContact CB-CG2 3.85Å; V935-I951 HydrophobicContact CG1-CG2 3.88Å; V935-I951 HydrophobicContact CG2-CG2 4.35Å; G938-I951 VanDerWaalsContact CA-CD1 3.47Å; I951-K972 CarbonylContact O-C 3.49Å; I951-K972 WeakPolarHBondContact O-CA 3.4Å; I951-L973 HydrophobicContact CB-CB 4.32Å; I951-L973 HydrophobicContact CG2-CB 4.13Å; I951-L973 HydrophobicContact CG2-CD1 3.99Å; I951-L973 HydrophobicContact CG2-CG 4.16Å; I951-L973 PolarHBondContact O-N 3.11Å; I951-L981 HydrophobicContact CG1-CB 4.38Å; I951-V984 HydrophobicContact CD1-CG2 4.14Å; I951-V984 HydrophobicContact CG1-CG2 3.91Å; I951-A989 HydrophobicContact CB-CB 4.44Å; I951-A989 HydrophobicContact CD1-CB 3.49Å; I951-A989 VanDerWaalsContact CD1-CB 3.49Å; I951-A989 HydrophobicContact CG1-CB 3.64Å; I951-A989 HydrophobicContact CG2-CB 4Å |
| 952 | F | 93.6 | Very high | 82.2 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.4 | -178.8 | -66.8 | -91.2 | 0 | 0 | 0 | 111.9 | V935 A936 F944 R945 D948 G950 S954 D971 K972 | V935-F952 CarbonylContact C-O 3.58Å; V935-F952 WeakPolarHBondContact CA-O 3.38Å; A936-F952 PolarHBondContact N-O 2.85Å; A936-F952 PolarHBondContact O-N 2.93Å; F944-F952 HydrophobicContact CB-CB 4.28Å; F944-F952 HydrophobicContact CB-CD2 3.85Å; F944-F952 HydrophobicContact CB-CG 4.35Å; F944-F952 HydrophobicContact CD1-CB 3.24Å; F944-F952 HydrophobicContact CD1-CD1 4.19Å; F944-F952 AromaticContact CD1-CD2 3.89Å; F944-F952 HydrophobicContact CD1-CD2 3.89Å; F944-F952 AromaticContact CD1-CG 3.54Å; F944-F952 HydrophobicContact CD1-CG 3.54Å; F944-F952 HydrophobicContact CE1-CB 3.73Å; F944-F952 HydrophobicContact CE1-CG 4.29Å; F944-F952 HydrophobicContact CG-CB 3.94Å; F944-F952 HydrophobicContact CG-CD2 4.31Å; F944-F952 HydrophobicContact CG-CG 4.32Å; R945-F952 HydrophobicContact CB-CZ 4.4Å; D948-F952 HydrophobicContact CB-CE2 4.11Å; D948-F952 HydrophobicContact CB-CZ 4.04Å; D948-F952 WeakPolarHBondContact OD2-CZ 3.42Å; G950-F952 VanDerWaalsContact O-CD2 3.25Å; G950-F952 WeakPolarHBondContact O-CD2 3.3Å; F952-S954 PolarHBondContact O-N 2.9Å; F952-S954 VanDerWaalsContact O-N 3.15Å; F952-D971 CarbonylContact C-O 3.52Å; F952-D971 WeakPolarHBondContact CA-O 3.41Å; F952-K972 HydrophobicContact CD1-CB 3.85Å; F952-K972 HydrophobicContact CD1-CG 4.13Å; F952-K972 HydrophobicContact CE1-CB 3.69Å; F952-K972 HydrophobicContact CE1-CD 3.95Å; F952-K972 HydrophobicContact CE1-CG 3.78Å; F952-K972 HydrophobicContact CZ-CB 4.44Å; F952-K972 HydrophobicContact CZ-CD 3.91Å; F952-K972 HydrophobicContact CZ-CG 4.04Å |
| 953 | V | 92.9 | Very high | 83 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 102.2 | 171 | -178 | 0 | 0 | 0 | 0 | 109.5 | L956 L967 K968 G970 D971 L973 | V953-L956 HydrophobicContact CG1-CB 4.35Å; V953-L956 HydrophobicContact CG1-CD1 4.07Å; V953-L967 HydrophobicContact CG1-CD2 4.3Å; V953-L967 HydrophobicContact CG2-CD2 3.56Å; V953-L967 HydrophobicContact CG2-CG 4.03Å; V953-K968 WeakPolarHBondContact CB-O 3.24Å; V953-G970 PolarHBondContact O-N 3.21Å; V953-D971 HydrophobicContact CB-CB 4.49Å; V953-D971 HydrophobicContact CG2-CB 3.98Å; V953-D971 PolarHBondContact N-O 2.95Å; V953-L973 HydrophobicContact CG2-CD2 3.73Å; V953-L973 HydrophobicContact CG2-CG 4.34Å |
| 954 | S | 89.1 | Confident | 83.7 | Confident | 34 Ų | 34 | 53.2 Ų | 53.2 | 24% | 0.238 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | -34.5 | -177.4 | 58.2 | 0 | 0 | 0 | 0 | 113.2 | S934 V935 F952 | S934-S954 PolarHBondContact O-N 3.48Å; S934-S954 PolarHBondContact O-OG 2.88Å; V935-S954 VanDerWaalsContact C-OG 3.24Å; V935-S954 PolarHBondContact O-OG 3.38Å; F952-S954 PolarHBondContact O-N 2.9Å; F952-S954 VanDerWaalsContact O-N 3.15Å |
| 955 | R | 87.5 | Confident | 84.2 | Confident | 121 Ų | 121 | 51.3 Ų | 51.3 | 46% | 0.457 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 154 | 170.5 | -50.7 | -176.3 | -142.9 | -176.9 | 4.5 | 110.5 | S934 D1277 | S934-R955 PolarHBondContact N-O 3.43Å; S934-R955 PolarHBondContact O-N 3.26Å; R955-D1277 IonicContact CZ-OD1 3.57Å; R955-D1277 IonicContact CZ-OD2 3.63Å; R955-D1277 IonicContact NH1-OD1 2.8Å; R955-D1277 PolarHBondContact NH1-OD1 2.84Å; R955-D1277 IonicContact NH1-OD2 3.79Å; R955-D1277 PolarHBondContact NH1-OD2 3.26Å; R955-D1277 IonicContact NH2-OD1 3.41Å; R955-D1277 IonicContact NH2-OD2 2.75Å; R955-D1277 PolarHBondContact NH2-OD2 3.23Å |
| 956 | L | 88.7 | Confident | 84.7 | Confident | 35 Ų | 35 | 48.3 Ų | 48.3 | 18% | 0.183 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 118.1 | -178.4 | -168.7 | 84.5 | 0 | 0 | 0 | 107.2 | L933 V953 P958 A962 A963 L967 L969 | L933-L956 HydrophobicContact CB-CD1 4.34Å; V953-L956 HydrophobicContact CG1-CB 4.35Å; V953-L956 HydrophobicContact CG1-CD1 4.07Å; L956-P958 VanDerWaalsContact O-CD 3.31Å; L956-P958 WeakPolarHBondContact O-CD 3.41Å; L956-A962 HydrophobicContact CD1-CB 3.83Å; L956-A963 HydrophobicContact CD1-CB 4.46Å; L956-A963 HydrophobicContact CD2-CB 3.7Å; L956-A963 HydrophobicContact CG-CB 3.86Å; L956-L967 HydrophobicContact CD1-CB 4.09Å; L956-L967 HydrophobicContact CD1-CD2 4.15Å; L956-L967 WeakPolarHBondContact CD2-O 3.19Å; L956-L969 HydrophobicContact CB-CD2 3.76Å; L956-L969 HydrophobicContact CB-CG 4.04Å |
| 957 | N | 83.3 | Confident | 85.6 | Confident | 77 Ų | 77 | 45.2 Ų | 45.2 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | trans | -70.6 | 119.8 | 175.6 | 176.6 | -3.9 | 0 | 0 | 0 | 108.4 | G932 T959 G960 A963 | G932-N957 PolarHBondContact O-N 2.8Å; N957-T959 PolarHBondContact O-N 2.93Å; N957-T959 PolarHBondContact OD1-N 2.87Å; N957-T959 PolarHBondContact OD1-OG1 2.83Å; N957-T959 VanDerWaalsContact OD1-OG1 3.07Å; N957-G960 PolarHBondContact O-N 3.4Å; N957-A963 WeakPolarHBondContact O-CB 3.14Å | ||
| 958 | P | 76.4 | Confident | 86.5 | Confident | 111 Ų | 111 | 47.2 Ų | 47.2 | 72% | 0.721 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -22.9 | -178.4 | -25.5 | 35.5 | 0 | 0 | 0 | 114.8 | L956 | L956-P958 VanDerWaalsContact O-CD 3.31Å; L956-P958 WeakPolarHBondContact O-CD 3.41Å |
| 959 | T | 80.6 | Confident | 86.9 | Confident | 122 Ų | 122 | 49.9 Ų | 49.9 | 75% | 0.748 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104 | 1.1 | 175.3 | 62.1 | 0 | 0 | 0 | 0 | 113.4 | N957 | N957-T959 PolarHBondContact O-N 2.93Å; N957-T959 PolarHBondContact OD1-N 2.87Å; N957-T959 PolarHBondContact OD1-OG1 2.83Å; N957-T959 VanDerWaalsContact OD1-OG1 3.07Å |
| 960 | G | 80 | Confident | 87 | Confident | 8 Ų | 8 | 48.2 Ų | 48.2 | 8% | 0.082 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -80.8 | 156.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | N957 A962 A963 T964 | N957-G960 PolarHBondContact O-N 3.4Å; G960-A962 PolarHBondContact O-N 3.19Å; G960-A963 PolarHBondContact O-N 3.05Å; G960-A963 VanDerWaalsContact O-N 3.12Å; G960-T964 PolarHBondContact O-N 2.92Å; G960-T964 VanDerWaalsContact O-N 3.16Å; G960-T964 PolarHBondContact O-OG1 2.75Å |
| 961 | L | 86.1 | Confident | 87.3 | Confident | 49 Ų | 49 | 48 Ų | 48 | 26% | 0.257 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -56.1 | -35.7 | -176.4 | -69 | 172.2 | 0 | 0 | 0 | 113.4 | I923 R925 A929 L931 T964 S965 | I923-L961 HydrophobicContact CG2-CB 3.73Å; R925-L961 HydrophobicContact CB-CD1 4.23Å; R925-L961 HydrophobicContact CG-CD1 3.91Å; A929-L961 HydrophobicContact CB-CD1 4.28Å; L931-L961 PolarHBondContact O-N 2.78Å; L961-T964 WeakPolarHBondContact CA-OG1 3.43Å; L961-T964 PolarHBondContact O-OG1 2.74Å; L961-S965 WeakPolarHBondContact O-CB 3.32Å; L961-S965 PolarHBondContact O-N 3.45Å; L961-S965 PolarHBondContact O-OG 2.9Å |
| 962 | A | 88.3 | Confident | 87.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113 | I923 L931 L933 L956 G960 S965 G966 L967 | I923-A962 HydrophobicContact CD1-CB 4.07Å; L931-A962 VanDerWaalsContact O-CB 3.28Å; L931-A962 WeakPolarHBondContact O-CB 3.38Å; L931-A962 PolarHBondContact O-N 2.76Å; L933-A962 HydrophobicContact CB-CB 3.8Å; L933-A962 HydrophobicContact CD2-CB 3.82Å; L933-A962 HydrophobicContact CG-CB 4.33Å; L956-A962 HydrophobicContact CD1-CB 3.83Å; G960-A962 PolarHBondContact O-N 3.19Å; A962-S965 PolarHBondContact O-N 3.34Å; A962-G966 PolarHBondContact O-N 3.06Å; A962-L967 HydrophobicContact CB-CB 4.34Å; A962-L967 HydrophobicContact CB-CD2 4.11Å; A962-L967 VanDerWaalsContact O-CB 3.23Å; A962-L967 WeakPolarHBondContact O-CB 3.06Å; A962-L967 PolarHBondContact O-N 3.03Å; A962-L967 VanDerWaalsContact O-N 3.1Å |
| 963 | A | 86.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 49.8 Ų | 49.8 | 21% | 0.207 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -66.2 | -48.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L956 N957 G960 S965 G966 | L956-A963 HydrophobicContact CD1-CB 4.46Å; L956-A963 HydrophobicContact CD2-CB 3.7Å; L956-A963 HydrophobicContact CG-CB 3.86Å; N957-A963 WeakPolarHBondContact O-CB 3.14Å; G960-A963 PolarHBondContact O-N 3.05Å; G960-A963 VanDerWaalsContact O-N 3.12Å; A963-S965 PolarHBondContact O-N 3.33Å; A963-G966 PolarHBondContact O-N 3.47Å; A963-G966 VanDerWaalsContact O-N 3.12Å |
| 964 | T | 86.7 | Confident | 87.4 | Confident | 99 Ų | 99 | 50.8 Ų | 50.8 | 61% | 0.607 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.7 | -19.4 | -178.7 | 57.2 | 0 | 0 | 0 | 0 | 113.2 | G960 L961 | G960-T964 PolarHBondContact O-N 2.92Å; G960-T964 VanDerWaalsContact O-N 3.16Å; G960-T964 PolarHBondContact O-OG1 2.75Å; L961-T964 WeakPolarHBondContact CA-OG1 3.43Å; L961-T964 PolarHBondContact O-OG1 2.74Å |
| 965 | S | 87.3 | Confident | 87.5 | Confident | 40 Ų | 40 | 51.1 Ų | 51.1 | 28% | 0.28 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4.6 | 175.1 | -55.7 | 0 | 0 | 0 | 0 | 114.5 | H922 L961 A962 A963 | H922-S965 WeakPolarHBondContact O-CB 3.49Å; L961-S965 WeakPolarHBondContact O-CB 3.32Å; L961-S965 PolarHBondContact O-N 3.45Å; L961-S965 PolarHBondContact O-OG 2.9Å; A962-S965 PolarHBondContact O-N 3.34Å; A963-S965 PolarHBondContact O-N 3.33Å |
| 966 | G | 86.2 | Confident | 87.8 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 37% | 0.371 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 98.7 | 14.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | A962 A963 R1006 | A962-G966 PolarHBondContact O-N 3.06Å; A963-G966 PolarHBondContact O-N 3.47Å; A963-G966 VanDerWaalsContact O-N 3.12Å; G966-R1006 PolarHBondContact O-NH2 2.84Å |
| 967 | L | 90.8 | Very high | 87.8 | Confident | 4 Ų | 4 | 46.7 Ų | 46.7 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | trans | -71.5 | 144 | 164.2 | -145.1 | 81.9 | 0 | 0 | 0 | 109.1 | V921 L933 V953 L956 A962 L973 I1002 V1004 | V921-L967 HydrophobicContact CB-CD1 4Å; V921-L967 HydrophobicContact CG1-CB 4.37Å; V921-L967 HydrophobicContact CG1-CD1 3.95Å; V921-L967 HydrophobicContact CG2-CD1 4.01Å; L933-L967 HydrophobicContact CB-CD2 4.31Å; L933-L967 HydrophobicContact CD2-CD2 3.8Å; V953-L967 HydrophobicContact CG1-CD2 4.3Å; V953-L967 HydrophobicContact CG2-CD2 3.56Å; V953-L967 HydrophobicContact CG2-CG 4.03Å; L956-L967 HydrophobicContact CD1-CB 4.09Å; L956-L967 HydrophobicContact CD1-CD2 4.15Å; L956-L967 WeakPolarHBondContact CD2-O 3.19Å; A962-L967 HydrophobicContact CB-CB 4.34Å; A962-L967 HydrophobicContact CB-CD2 4.11Å; A962-L967 VanDerWaalsContact O-CB 3.23Å; A962-L967 WeakPolarHBondContact O-CB 3.06Å; A962-L967 PolarHBondContact O-N 3.03Å; A962-L967 VanDerWaalsContact O-N 3.1Å; L967-L973 HydrophobicContact CD1-CD2 4.38Å; L967-I1002 HydrophobicContact CD1-CG2 4.28Å; L967-V1004 HydrophobicContact CD1-CG1 3.71Å | ||
| 968 | K | 89.6 | Confident | 87.7 | Confident | 121 Ų | 121 | 45.8 Ų | 45.8 | 53% | 0.526 | 28% | 0.283 | S | S | . | . | trans | -121.8 | 156.9 | 179.6 | -64.8 | -175.6 | -174.2 | -177.4 | 0 | 111.5 | V953 D971 | V953-K968 WeakPolarHBondContact CB-O 3.24Å; K968-D971 PolarHBondContact N-OD2 2.83Å; K968-D971 WeakPolarHBondContact O-CB 3.47Å; K968-D971 PolarHBondContact O-N 2.95Å | ||
| 969 | L | 87.5 | Confident | 88 | Confident | 110 Ų | 110 | 43.4 Ų | 43.4 | 58% | 0.576 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 136.7 | 168.8 | -72.7 | 170.5 | 0 | 0 | 0 | 110.1 | L956 D971 | L956-L969 HydrophobicContact CB-CD2 3.76Å; L956-L969 HydrophobicContact CB-CG 4.04Å; L969-D971 VanDerWaalsContact C-N 3.28Å; L969-D971 PolarHBondContact O-N 3.13Å |
| 970 | G | 85.6 | Confident | 88.4 | Confident | 10 Ų | 10 | 40.6 Ų | 40.6 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | -1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | V953 K972 | V953-G970 PolarHBondContact O-N 3.21Å; G970-K972 PolarHBondContact O-N 3.18Å |
| 971 | D | 93.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | P | Polyproline II helix | trans | -59.1 | 132.3 | 169.5 | -80.2 | -12.9 | 0 | 0 | 0 | 110.1 | F952 V953 K968 L969 V1004 R1006 | F952-D971 CarbonylContact C-O 3.52Å; F952-D971 WeakPolarHBondContact CA-O 3.41Å; V953-D971 HydrophobicContact CB-CB 4.49Å; V953-D971 HydrophobicContact CG2-CB 3.98Å; V953-D971 PolarHBondContact N-O 2.95Å; K968-D971 PolarHBondContact N-OD2 2.83Å; K968-D971 WeakPolarHBondContact O-CB 3.47Å; K968-D971 PolarHBondContact O-N 2.95Å; L969-D971 VanDerWaalsContact C-N 3.28Å; L969-D971 PolarHBondContact O-N 3.13Å; D971-V1004 HydrophobicContact CB-CB 4.09Å; D971-V1004 HydrophobicContact CB-CG1 4.29Å; D971-V1004 HydrophobicContact CB-CG2 4.33Å; D971-R1006 WeakPolarHBondContact OD1-CG 3.09Å; D971-R1006 IonicContact OD1-CZ 3.55Å; D971-R1006 IonicContact OD1-NE 2.85Å; D971-R1006 PolarHBondContact OD1-NE 3.43Å; D971-R1006 IonicContact OD1-NH2 2.7Å; D971-R1006 PolarHBondContact OD1-NH2 3.33Å; D971-R1006 IonicContact OD2-CZ 3.53Å; D971-R1006 IonicContact OD2-NE 3.13Å; D971-R1006 IonicContact OD2-NH2 3.83Å; D971-R1006 PolarHBondContact OD2-NH2 3.37Å |
| 972 | K | 93.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 42.9 Ų | 42.9 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.6 | 174.4 | -169.7 | 174.9 | -170.1 | 168.3 | 0 | 109.6 | D948 I951 F952 G970 L974 V1004 G1005 | D948-K972 IonicContact OD1-NZ 2.87Å; D948-K972 PolarHBondContact OD1-NZ 2.81Å; D948-K972 IonicContact OD2-NZ 3.01Å; D948-K972 PolarHBondContact OD2-NZ 2.86Å; I951-K972 CarbonylContact O-C 3.49Å; I951-K972 WeakPolarHBondContact O-CA 3.4Å; F952-K972 HydrophobicContact CD1-CB 3.85Å; F952-K972 HydrophobicContact CD1-CG 4.13Å; F952-K972 HydrophobicContact CE1-CB 3.69Å; F952-K972 HydrophobicContact CE1-CD 3.95Å; F952-K972 HydrophobicContact CE1-CG 3.78Å; F952-K972 HydrophobicContact CZ-CB 4.44Å; F952-K972 HydrophobicContact CZ-CD 3.91Å; F952-K972 HydrophobicContact CZ-CG 4.04Å; G970-K972 PolarHBondContact O-N 3.18Å; K972-L974 HydrophobicContact CD-CD2 4.31Å; K972-L974 HydrophobicContact CG-CD2 4.2Å; K972-L974 PolarHBondContact O-N 2.9Å; K972-V1004 CarbonylContact O-C 3.44Å; K972-V1004 WeakPolarHBondContact O-CA 3.47Å; K972-G1005 WeakPolarHBondContact CB-O 3.2Å; K972-G1005 PolarHBondContact N-O 3.08Å; K972-G1005 PolarHBondContact O-N 3.11Å |
| 973 | L | 93.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 123.1 | 178.9 | -50.8 | -170.2 | 0 | 0 | 0 | 110.2 | V935 I951 V953 L967 L981 L993 I1002 V1004 | V935-L973 HydrophobicContact CG1-CD1 3.61Å; I951-L973 HydrophobicContact CB-CB 4.32Å; I951-L973 HydrophobicContact CG2-CB 4.13Å; I951-L973 HydrophobicContact CG2-CD1 3.99Å; I951-L973 HydrophobicContact CG2-CG 4.16Å; I951-L973 PolarHBondContact O-N 3.11Å; V953-L973 HydrophobicContact CG2-CD2 3.73Å; V953-L973 HydrophobicContact CG2-CG 4.34Å; L967-L973 HydrophobicContact CD1-CD2 4.38Å; L973-L981 HydrophobicContact CB-CD1 3.87Å; L973-L981 HydrophobicContact CD1-CD1 4.31Å; L973-L993 HydrophobicContact CD1-CD1 3.88Å; L973-L993 HydrophobicContact CD1-CD2 4.37Å; L973-I1002 HydrophobicContact CD2-CG2 3.93Å; L973-V1004 HydrophobicContact CD2-CG1 3.54Å |
| 974 | L | 93.2 | Very high | 88.5 | Confident | 21 Ų | 21 | 47.8 Ų | 47.8 | 11% | 0.11 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -36.8 | -176.3 | -57.3 | 178.7 | 0 | 0 | 0 | 112.5 | Q918 K972 L981 I982 L1003 | Q918-L974 HydrophobicContact CG-CD1 4.03Å; K972-L974 HydrophobicContact CD-CD2 4.31Å; K972-L974 HydrophobicContact CG-CD2 4.2Å; K972-L974 PolarHBondContact O-N 2.9Å; L974-L981 PolarHBondContact O-N 3.12Å; L974-I982 HydrophobicContact CD2-CG1 4.44Å; L974-L1003 HydrophobicContact CB-CB 4.39Å; L974-L1003 HydrophobicContact CB-CD2 4.11Å; L974-L1003 HydrophobicContact CB-CG 4.2Å; L974-L1003 HydrophobicContact CD1-CD2 4.43Å; L974-L1003 HydrophobicContact CD1-CG 4.4Å; L974-L1003 PolarHBondContact N-O 3.26Å |
| 975 | E | 93.1 | Very high | 88.5 | Confident | 40 Ų | 40 | 47.9 Ų | 47.9 | 19% | 0.187 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 143.9 | -179.3 | -164.1 | -149.3 | 115.2 | 0 | 0 | 109.7 | G978 V979 R1001 I1002 L1003 | E975-G978 WeakPolarHBondContact OE1-CA 3.2Å; E975-G978 PolarHBondContact OE1-N 3.11Å; E975-V979 CarbonylContact C-O 3.46Å; E975-V979 VanDerWaalsContact CA-O 3.29Å; E975-V979 WeakPolarHBondContact CA-O 3.22Å; E975-R1001 VanDerWaalsContact CD-NH1 3.32Å; E975-R1001 IonicContact OE1-NH1 2.74Å; E975-R1001 PolarHBondContact OE1-NH1 3.07Å; E975-R1001 IonicContact OE2-NH1 2.84Å; E975-R1001 PolarHBondContact OE2-NH1 2.92Å; E975-I1002 CarbonylContact O-C 3.12Å; E975-I1002 WeakPolarHBondContact O-CA 3.4Å; E975-L1003 HydrophobicContact CB-CB 3.62Å; E975-L1003 HydrophobicContact CB-CD2 4.2Å; E975-L1003 PolarHBondContact N-O 3.13Å; E975-L1003 PolarHBondContact O-N 3.25Å |
| 976 | V | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 118.3 | 168.7 | 174.9 | 0 | 0 | 0 | 0 | 108.8 | G978 V979 L981 T992 L993 F1000 R1001 I1002 | V976-G978 VanDerWaalsContact C-N 3.28Å; V976-G978 PolarHBondContact O-N 3.14Å; V976-V979 PolarHBondContact N-O 3.49Å; V976-V979 WeakPolarHBondContact O-CB 3.44Å; V976-V979 PolarHBondContact O-N 2.63Å; V976-L981 HydrophobicContact CB-CD1 4.38Å; V976-L981 HydrophobicContact CG2-CD1 3.57Å; V976-L981 HydrophobicContact CG2-CG 4.32Å; V976-T992 HydrophobicContact CB-CG2 3.76Å; V976-T992 HydrophobicContact CG1-CG2 3.91Å; V976-L993 HydrophobicContact CG1-CD2 4.35Å; V976-L993 HydrophobicContact CG2-CD2 3.88Å; V976-L993 HydrophobicContact CG2-CG 4.43Å; V976-F1000 HydrophobicContact CG1-CD1 4.1Å; V976-R1001 WeakPolarHBondContact CA-O 3.42Å; V976-I1002 HydrophobicContact CG1-CG1 4.49Å; V976-I1002 HydrophobicContact CG2-CB 4.5Å; V976-I1002 HydrophobicContact CG2-CG1 4.15Å; V976-I1002 HydrophobicContact CG2-CG2 4.05Å |
| 977 | N | 89 | Confident | 88.4 | Confident | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 39.1 | 177.3 | -74.8 | -21.1 | 0 | 0 | 0 | 114.8 | V979 D999 F1000 R1001 | N977-V979 VanDerWaalsContact C-N 3.33Å; N977-D999 PolarHBondContact ND2-O 3.35Å; N977-F1000 WeakPolarHBondContact OD1-CA 3.25Å; N977-R1001 PolarHBondContact N-O 3.35Å; N977-R1001 PolarHBondContact OD1-N 2.79Å |
| 978 | G | 80.7 | Confident | 88.1 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 61% | 0.608 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.8 | -3.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | E975 V976 | E975-G978 WeakPolarHBondContact OE1-CA 3.2Å; E975-G978 PolarHBondContact OE1-N 3.11Å; V976-G978 VanDerWaalsContact C-N 3.28Å; V976-G978 PolarHBondContact O-N 3.14Å |
| 979 | V | 82.6 | Confident | 88 | Confident | 61 Ų | 61 | 49.7 Ų | 49.7 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 117.8 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 109 | E975 V976 N977 T992 | E975-V979 CarbonylContact C-O 3.46Å; E975-V979 VanDerWaalsContact CA-O 3.29Å; E975-V979 WeakPolarHBondContact CA-O 3.22Å; V976-V979 PolarHBondContact N-O 3.49Å; V976-V979 WeakPolarHBondContact O-CB 3.44Å; V976-V979 PolarHBondContact O-N 2.63Å; N977-V979 VanDerWaalsContact C-N 3.33Å; V979-T992 HydrophobicContact CB-CG2 3.75Å; V979-T992 HydrophobicContact CG1-CG2 3.94Å; V979-T992 HydrophobicContact CG2-CG2 4.15Å |
| 980 | S | 89.5 | Confident | 88.1 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 44% | 0.441 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 136.6 | 173.5 | -179.4 | 0 | 0 | 0 | 0 | 111.1 | I982 | S980-I982 PolarHBondContact OG-N 3.23Å |
| 981 | L | 90.3 | Very high | 88 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | trans | -108.2 | 14.4 | 172.9 | -60.8 | -171.3 | 0 | 0 | 0 | 112.6 | I951 L973 L974 V976 V984 A989 T992 | I951-L981 HydrophobicContact CG1-CB 4.38Å; L973-L981 HydrophobicContact CB-CD1 3.87Å; L973-L981 HydrophobicContact CD1-CD1 4.31Å; L974-L981 PolarHBondContact O-N 3.12Å; V976-L981 HydrophobicContact CB-CD1 4.38Å; V976-L981 HydrophobicContact CG2-CD1 3.57Å; V976-L981 HydrophobicContact CG2-CG 4.32Å; L981-V984 HydrophobicContact CB-CG2 4.21Å; L981-V984 HydrophobicContact CD2-CG2 4.16Å; L981-V984 WeakPolarHBondContact O-CG2 3.2Å; L981-A989 HydrophobicContact CD1-CB 4.3Å; L981-A989 HydrophobicContact CD2-CB 4.14Å; L981-T992 HydrophobicContact CD2-CG2 4.29Å | ||
| 982 | I | 86.5 | Confident | 87.7 | Confident | 103 Ų | 103 | 49.4 Ų | 49.4 | 53% | 0.528 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 129.7 | 174.5 | -58.5 | 173.1 | 0 | 0 | 0 | 109 | L974 S980 V984 | L974-I982 HydrophobicContact CD2-CG1 4.44Å; S980-I982 PolarHBondContact OG-N 3.23Å; I982-V984 PolarHBondContact O-N 3.08Å |
| 983 | N | 83.3 | Confident | 87.4 | Confident | 104 Ų | 104 | 48.2 Ų | 48.2 | 56% | 0.556 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 29.9 | -178.9 | -63.2 | -5.8 | 0 | 0 | 0 | 114.9 | V939 | V939-N983 HydrophobicContact CG2-CB 4.37Å; V939-N983 WeakPolarHBondContact CG2-O 3.25Å |
| 984 | V | 84 | Confident | 86.9 | Confident | 24 Ų | 24 | 57.7 Ų | 57.7 | 15% | 0.145 | 32% | 0.315 | C | S | . | . | trans | -91.5 | 151.3 | 173.4 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | G938 V939 I951 L981 I982 V988 A989 | G938-V984 WeakPolarHBondContact CA-O 3.14Å; V939-V984 PolarHBondContact N-O 3.49Å; I951-V984 HydrophobicContact CD1-CG2 4.14Å; I951-V984 HydrophobicContact CG1-CG2 3.91Å; L981-V984 HydrophobicContact CB-CG2 4.21Å; L981-V984 HydrophobicContact CD2-CG2 4.16Å; L981-V984 WeakPolarHBondContact O-CG2 3.2Å; I982-V984 PolarHBondContact O-N 3.08Å; V984-V988 HydrophobicContact CB-CB 4.14Å; V984-V988 HydrophobicContact CB-CG1 4.21Å; V984-V988 HydrophobicContact CG1-CG1 4.38Å; V984-A989 HydrophobicContact CG2-CB 4.04Å | ||
| 985 | E | 85.7 | Confident | 86.1 | Confident | 102 Ų | 102 | 58.4 Ų | 58.4 | 48% | 0.477 | 32% | 0.324 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 152.3 | 167.1 | -67.1 | -177.3 | -141.1 | 0 | 0 | 111.3 | V939 H987 V988 A989 | V939-E985 HydrophobicContact CB-CG 4.48Å; V939-E985 WeakPolarHBondContact O-CA 3.32Å; E985-H987 PolarHBondContact O-N 3.04Å; E985-H987 VanDerWaalsContact O-N 3.12Å; E985-H987 IonicContact OE2-CE1 2.69Å; E985-H987 PolarHBondContact OE2-CE1 3.48Å; E985-H987 IonicContact OE2-ND1 3.72Å; E985-H987 PolarHBondContact OE2-ND1 2.84Å; E985-V988 HydrophobicContact CB-CG2 4.34Å; E985-V988 PolarHBondContact O-N 2.92Å; E985-A989 PolarHBondContact O-N 3.46Å |
| 986 | H | 86.3 | Confident | 85.1 | Confident | 70 Ų | 70 | 62.4 Ų | 62.4 | 32% | 0.324 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -49.3 | -42.6 | 179.2 | -173.9 | 88.6 | 0 | 0 | 0 | 112.9 | V935 G937 V988 A989 V990 | V935-H986 PolarHBondContact O-CE1 3.42Å; G937-H986 PolarHBondContact O-ND1 3.48Å; H986-V988 VanDerWaalsContact C-N 3.33Å; H986-V988 PolarHBondContact O-N 3.09Å; H986-A989 PolarHBondContact O-N 3.13Å; H986-V990 WeakPolarHBondContact O-CG2 3.48Å; H986-V990 PolarHBondContact O-N 2.62Å; H986-V990 VanDerWaalsContact O-N 3.08Å |
| 987 | H | 86.3 | Confident | 84.5 | Confident | 115 Ų | 115 | 64.4 Ų | 64.4 | 53% | 0.532 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -33.8 | -177.5 | 81.6 | -99.7 | 0 | 0 | 0 | 113 | E985 A991 | E985-H987 PolarHBondContact O-N 3.04Å; E985-H987 VanDerWaalsContact O-N 3.12Å; E985-H987 IonicContact OE2-CE1 2.69Å; E985-H987 PolarHBondContact OE2-CE1 3.48Å; E985-H987 IonicContact OE2-ND1 3.72Å; E985-H987 PolarHBondContact OE2-ND1 2.84Å; H987-A991 WeakPolarHBondContact O-CB 3.24Å; H987-A991 PolarHBondContact O-N 2.76Å |
| 988 | V | 84.1 | Confident | 84.3 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 32% | 0.321 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -70.5 | -41.1 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 110.6 | V984 E985 H986 A991 T992 | V984-V988 HydrophobicContact CB-CB 4.14Å; V984-V988 HydrophobicContact CB-CG1 4.21Å; V984-V988 HydrophobicContact CG1-CG1 4.38Å; E985-V988 HydrophobicContact CB-CG2 4.34Å; E985-V988 PolarHBondContact O-N 2.92Å; H986-V988 VanDerWaalsContact C-N 3.33Å; H986-V988 PolarHBondContact O-N 3.09Å; V988-A991 PolarHBondContact O-N 3.38Å; V988-T992 WeakPolarHBondContact O-CB 3.22Å; V988-T992 PolarHBondContact O-N 3.21Å; V988-T992 PolarHBondContact O-OG1 3.18Å |
| 989 | A | 87.3 | Confident | 84.5 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -45 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I951 L981 V984 E985 H986 A991 T992 L993 | I951-A989 HydrophobicContact CB-CB 4.44Å; I951-A989 HydrophobicContact CD1-CB 3.49Å; I951-A989 VanDerWaalsContact CD1-CB 3.49Å; I951-A989 HydrophobicContact CG1-CB 3.64Å; I951-A989 HydrophobicContact CG2-CB 4Å; L981-A989 HydrophobicContact CD1-CB 4.3Å; L981-A989 HydrophobicContact CD2-CB 4.14Å; V984-A989 HydrophobicContact CG2-CB 4.04Å; E985-A989 PolarHBondContact O-N 3.46Å; H986-A989 PolarHBondContact O-N 3.13Å; A989-A991 PolarHBondContact O-N 2.96Å; A989-T992 PolarHBondContact O-N 3.14Å; A989-L993 WeakPolarHBondContact O-CG 3.22Å; A989-L993 PolarHBondContact O-N 3Å |
| 990 | V | 89.2 | Confident | 84.8 | Confident | 36 Ų | 36 | 63.5 Ų | 63.5 | 22% | 0.218 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.3 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | V935 H986 T992 L993 R994 | V935-V990 HydrophobicContact CG2-CG2 3.96Å; H986-V990 WeakPolarHBondContact O-CG2 3.48Å; H986-V990 PolarHBondContact O-N 2.62Å; H986-V990 VanDerWaalsContact O-N 3.08Å; V990-T992 VanDerWaalsContact C-N 3.33Å; V990-T992 PolarHBondContact O-N 3.34Å; V990-L993 PolarHBondContact O-N 3.03Å; V990-R994 HydrophobicContact CG1-CG 4.27Å; V990-R994 VanDerWaalsContact O-CB 3.32Å; V990-R994 WeakPolarHBondContact O-CB 3.48Å; V990-R994 VanDerWaalsContact O-CG 3.28Å; V990-R994 WeakPolarHBondContact O-CG 3.41Å; V990-R994 PolarHBondContact O-N 2.78Å |
| 991 | A | 84.4 | Confident | 84.9 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 50% | 0.496 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | H987 V988 A989 R994 A995 | H987-A991 WeakPolarHBondContact O-CB 3.24Å; H987-A991 PolarHBondContact O-N 2.76Å; V988-A991 PolarHBondContact O-N 3.38Å; A989-A991 PolarHBondContact O-N 2.96Å; A991-R994 PolarHBondContact O-N 2.83Å; A991-A995 PolarHBondContact O-N 3.24Å |
| 992 | T | 86.8 | Confident | 85 | Confident | 22 Ų | 22 | 65 Ų | 65 | 14% | 0.135 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -39.6 | 178.1 | -52.3 | 0 | 0 | 0 | 0 | 111.7 | V976 V979 L981 V988 A989 V990 A995 | V976-T992 HydrophobicContact CB-CG2 3.76Å; V976-T992 HydrophobicContact CG1-CG2 3.91Å; V979-T992 HydrophobicContact CB-CG2 3.75Å; V979-T992 HydrophobicContact CG1-CG2 3.94Å; V979-T992 HydrophobicContact CG2-CG2 4.15Å; L981-T992 HydrophobicContact CD2-CG2 4.29Å; V988-T992 WeakPolarHBondContact O-CB 3.22Å; V988-T992 PolarHBondContact O-N 3.21Å; V988-T992 PolarHBondContact O-OG1 3.18Å; A989-T992 PolarHBondContact O-N 3.14Å; V990-T992 VanDerWaalsContact C-N 3.33Å; V990-T992 PolarHBondContact O-N 3.34Å; T992-A995 WeakPolarHBondContact O-CB 3.15Å; T992-A995 PolarHBondContact O-N 3.35Å |
| 993 | L | 87.5 | Confident | 85.3 | Confident | 14 Ų | 14 | 61.4 Ų | 61.4 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.5 | -22.2 | 175 | -71.1 | 162 | 0 | 0 | 0 | 113.5 | L931 L933 V935 L973 V976 A989 V990 F1000 I1002 | L931-L993 HydrophobicContact CD1-CD2 4.44Å; L931-L993 WeakPolarHBondContact CD1-O 3.46Å; L933-L993 HydrophobicContact CD1-CD1 4.17Å; L933-L993 HydrophobicContact CD2-CD2 4.49Å; V935-L993 HydrophobicContact CG1-CD1 3.78Å; V935-L993 HydrophobicContact CG2-CD1 4.26Å; L973-L993 HydrophobicContact CD1-CD1 3.88Å; L973-L993 HydrophobicContact CD1-CD2 4.37Å; V976-L993 HydrophobicContact CG1-CD2 4.35Å; V976-L993 HydrophobicContact CG2-CD2 3.88Å; V976-L993 HydrophobicContact CG2-CG 4.43Å; A989-L993 WeakPolarHBondContact O-CG 3.22Å; A989-L993 PolarHBondContact O-N 3Å; V990-L993 PolarHBondContact O-N 3.03Å; L993-F1000 WeakPolarHBondContact O-CE1 3.26Å; L993-I1002 HydrophobicContact CD2-CD1 4.09Å |
| 994 | R | 83.3 | Confident | 85.8 | Confident | 200 Ų | 200 | 56.5 Ų | 56.5 | 76% | 0.755 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.4 | 174.2 | -74.8 | -177.9 | 179 | -166.3 | 0.3 | 114 | V990 A991 | V990-R994 HydrophobicContact CG1-CG 4.27Å; V990-R994 VanDerWaalsContact O-CB 3.32Å; V990-R994 WeakPolarHBondContact O-CB 3.48Å; V990-R994 VanDerWaalsContact O-CG 3.28Å; V990-R994 WeakPolarHBondContact O-CG 3.41Å; V990-R994 PolarHBondContact O-N 2.78Å; A991-R994 PolarHBondContact O-N 2.83Å |
| 995 | A | 76.1 | Confident | 86.1 | Confident | 36 Ų | 36 | 55.4 Ų | 55.4 | 30% | 0.298 | 28% | 0.283 | S | S | . | . | trans | -50.2 | 144.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A991 T992 T997 | A991-A995 PolarHBondContact O-N 3.24Å; T992-A995 WeakPolarHBondContact O-CB 3.15Å; T992-A995 PolarHBondContact O-N 3.35Å; A995-T997 HydrophobicContact CB-CG2 4.31Å; A995-T997 PolarHBondContact O-N 2.73Å | ||
| 996 | N | 71.4 | Confident | 86.2 | Confident | 124 Ų | 124 | 52.3 Ų | 52.3 | 66% | 0.663 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -78.5 | 66.3 | -176.3 | -156.5 | 12.6 | 0 | 0 | 0 | 111.5 | E849 | E849-N996 PolarHBondContact OE1-ND2 3.09Š|
| 997 | T | 81.1 | Confident | 85.7 | Confident | 42 Ų | 42 | 51.2 Ų | 51.2 | 26% | 0.258 | 26% | 0.264 | S | S | . | . | trans | -129.4 | 148.5 | 178.6 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | A995 D999 F1000 | A995-T997 HydrophobicContact CB-CG2 4.31Å; A995-T997 PolarHBondContact O-N 2.73Å; T997-D999 WeakPolarHBondContact CG2-O 3.11Å; T997-D999 PolarHBondContact OG1-N 3.27Å; T997-D999 VanDerWaalsContact OG1-N 3.15Å; T997-D999 PolarHBondContact OG1-O 3.14Å; T997-F1000 HydrophobicContact CG2-CD1 4.15Å; T997-F1000 HydrophobicContact CG2-CD2 4.1Å; T997-F1000 HydrophobicContact CG2-CE1 3.72Å; T997-F1000 HydrophobicContact CG2-CE2 3.65Å; T997-F1000 HydrophobicContact CG2-CG 4.33Å; T997-F1000 HydrophobicContact CG2-CZ 3.44Å; T997-F1000 VanDerWaalsContact CG2-CZ 3.44Å; T997-F1000 VanDerWaalsContact O-CE2 3.24Å; T997-F1000 WeakPolarHBondContact O-CE2 3.32Å | ||
| 998 | N | 83.3 | Confident | 84.6 | Confident | 68 Ų | 68 | 49.2 Ų | 49.2 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -91.3 | -14.4 | 173.1 | -63 | -30.4 | 0 | 0 | 0 | 111.8 | H924 R925 | H924-N998 CarbonylContact C-O 3.52Å; H924-N998 WeakPolarHBondContact CA-O 3.43Å; R925-N998 PolarHBondContact N-O 2.98Å; R925-N998 WeakPolarHBondContact O-CB 3.36Å |
| 999 | D | 85.2 | Confident | 82.6 | Confident | 94 Ų | 94 | 54 Ų | 54 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 128.7 | -179.4 | -66.4 | -67 | 0 | 0 | 0 | 110.5 | H924 N977 T997 | H924-D999 IonicContact CE1-OD1 2.69Å; H924-D999 IonicContact CG-OD1 3.86Å; H924-D999 IonicContact ND1-OD1 2.95Å; H924-D999 PolarHBondContact ND1-OD1 3.15Å; N977-D999 PolarHBondContact ND2-O 3.35Å; T997-D999 WeakPolarHBondContact CG2-O 3.11Å; T997-D999 PolarHBondContact OG1-N 3.27Å; T997-D999 VanDerWaalsContact OG1-N 3.15Å; T997-D999 PolarHBondContact OG1-O 3.14Å |
| 1000 | F | 90 | Very high | 79.8 | Confident | 3 Ų | 3 | 60.8 Ų | 60.8 | 1% | 0.013 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 121 | 176.5 | -66.7 | -100.3 | 0 | 0 | 0 | 110.2 | H922 I923 R925 L931 V976 N977 L993 T997 I1002 | H922-F1000 CarbonylContact C-O 3.13Å; H922-F1000 VanDerWaalsContact CA-O 3.32Å; H922-F1000 WeakPolarHBondContact CA-O 3.29Å; I923-F1000 HydrophobicContact CB-CB 4.23Å; I923-F1000 PolarHBondContact N-O 2.77Å; I923-F1000 PolarHBondContact O-N 3.44Å; R925-F1000 HydrophobicContact CB-CE2 4.4Å; L931-F1000 HydrophobicContact CD1-CD1 4.31Å; L931-F1000 HydrophobicContact CD1-CE1 4.08Å; L931-F1000 HydrophobicContact CD1-CE2 4.4Å; L931-F1000 HydrophobicContact CD1-CZ 4.13Å; L931-F1000 HydrophobicContact CD2-CD2 3.82Å; L931-F1000 HydrophobicContact CD2-CE2 3.88Å; L931-F1000 HydrophobicContact CD2-CG 4.33Å; L931-F1000 HydrophobicContact CD2-CZ 4.42Å; V976-F1000 HydrophobicContact CG1-CD1 4.1Å; N977-F1000 WeakPolarHBondContact OD1-CA 3.25Å; L993-F1000 WeakPolarHBondContact O-CE1 3.26Å; T997-F1000 HydrophobicContact CG2-CD1 4.15Å; T997-F1000 HydrophobicContact CG2-CD2 4.1Å; T997-F1000 HydrophobicContact CG2-CE1 3.72Å; T997-F1000 HydrophobicContact CG2-CE2 3.65Å; T997-F1000 HydrophobicContact CG2-CG 4.33Å; T997-F1000 HydrophobicContact CG2-CZ 3.44Å; T997-F1000 VanDerWaalsContact CG2-CZ 3.44Å; T997-F1000 VanDerWaalsContact O-CE2 3.24Å; T997-F1000 WeakPolarHBondContact O-CE2 3.32Å; F1000-I1002 HydrophobicContact CB-CD1 4.47Å; F1000-I1002 HydrophobicContact CB-CG1 4.24Å |
| 1001 | R | 91.3 | Very high | 76.9 | Confident | 96 Ų | 96 | 64.2 Ų | 64.2 | 36% | 0.362 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 112.2 | 164.7 | 177.2 | -176.2 | 175.1 | -91.4 | -1.1 | 107.7 | V920 E975 V976 N977 | V920-R1001 HydrophobicContact CG1-CG 3.68Å; E975-R1001 VanDerWaalsContact CD-NH1 3.32Å; E975-R1001 IonicContact OE1-NH1 2.74Å; E975-R1001 PolarHBondContact OE1-NH1 3.07Å; E975-R1001 IonicContact OE2-NH1 2.84Å; E975-R1001 PolarHBondContact OE2-NH1 2.92Å; V976-R1001 WeakPolarHBondContact CA-O 3.42Å; N977-R1001 PolarHBondContact N-O 3.35Å; N977-R1001 PolarHBondContact OD1-N 2.79Å |
| 1002 | I | 93 | Very high | 74.2 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121.1 | -177.3 | -52.8 | -173.2 | 0 | 0 | 0 | 108.7 | V920 V921 I923 L967 L973 E975 V976 L993 F1000 V1004 | V920-I1002 CarbonylContact C-O 3.36Å; V920-I1002 WeakPolarHBondContact CA-O 3.48Å; V921-I1002 PolarHBondContact N-O 3Å; V921-I1002 PolarHBondContact O-N 2.72Å; I923-I1002 HydrophobicContact CD1-CD1 3.72Å; L967-I1002 HydrophobicContact CD1-CG2 4.28Å; L973-I1002 HydrophobicContact CD2-CG2 3.93Å; E975-I1002 CarbonylContact O-C 3.12Å; E975-I1002 WeakPolarHBondContact O-CA 3.4Å; V976-I1002 HydrophobicContact CG1-CG1 4.49Å; V976-I1002 HydrophobicContact CG2-CB 4.5Å; V976-I1002 HydrophobicContact CG2-CG1 4.15Å; V976-I1002 HydrophobicContact CG2-CG2 4.05Å; L993-I1002 HydrophobicContact CD2-CD1 4.09Å; F1000-I1002 HydrophobicContact CB-CD1 4.47Å; F1000-I1002 HydrophobicContact CB-CG1 4.24Å; I1002-V1004 HydrophobicContact CG2-CG1 3.74Å |
| 1003 | L | 92.8 | Very high | 71.4 | Confident | 27 Ų | 27 | 76.2 Ų | 76.2 | 14% | 0.141 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.6 | 168.6 | -172.2 | 69.8 | 0 | 0 | 0 | 108.4 | Q918 V920 L974 E975 | Q918-L1003 HydrophobicContact CB-CD1 4.19Å; V920-L1003 HydrophobicContact CG2-CD1 3.72Å; L974-L1003 HydrophobicContact CB-CB 4.39Å; L974-L1003 HydrophobicContact CB-CD2 4.11Å; L974-L1003 HydrophobicContact CB-CG 4.2Å; L974-L1003 HydrophobicContact CD1-CD2 4.43Å; L974-L1003 HydrophobicContact CD1-CG 4.4Å; L974-L1003 PolarHBondContact N-O 3.26Å; E975-L1003 HydrophobicContact CB-CB 3.62Å; E975-L1003 HydrophobicContact CB-CD2 4.2Å; E975-L1003 PolarHBondContact N-O 3.13Å; E975-L1003 PolarHBondContact O-N 3.25Å |
| 1004 | V | 93.2 | Very high | 68.4 | Low | 0 Ų | 0 | 79.6 Ų | 79.6 | 0% | 0 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 140.4 | 177.3 | -54.9 | 0 | 0 | 0 | 0 | 112 | Q918 V919 V921 L967 D971 K972 L973 I1002 | Q918-V1004 CarbonylContact C-O 3.16Å; Q918-V1004 VanDerWaalsContact CA-O 3.3Å; Q918-V1004 WeakPolarHBondContact CA-O 3.26Å; V919-V1004 HydrophobicContact CB-CG2 3.83Å; V919-V1004 PolarHBondContact N-O 2.89Å; V919-V1004 PolarHBondContact O-N 2.7Å; V921-V1004 HydrophobicContact CG2-CG2 4.44Å; L967-V1004 HydrophobicContact CD1-CG1 3.71Å; D971-V1004 HydrophobicContact CB-CB 4.09Å; D971-V1004 HydrophobicContact CB-CG1 4.29Å; D971-V1004 HydrophobicContact CB-CG2 4.33Å; K972-V1004 CarbonylContact O-C 3.44Å; K972-V1004 WeakPolarHBondContact O-CA 3.47Å; L973-V1004 HydrophobicContact CD2-CG1 3.54Å; I1002-V1004 HydrophobicContact CG2-CG1 3.74Å |
| 1005 | G | 89.8 | Confident | 65.8 | Low | 2 Ų | 2 | 76.2 Ų | 76.2 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 122.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | K972 | K972-G1005 WeakPolarHBondContact CB-O 3.2Å; K972-G1005 PolarHBondContact N-O 3.08Å; K972-G1005 PolarHBondContact O-N 3.11Å |
| 1006 | R | 87.8 | Confident | 63.5 | Low | 36 Ų | 36 | 80.8 Ų | 80.8 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 128.8 | -176.2 | 179.2 | 179.8 | -68.6 | 161.3 | -0.7 | 109.9 | Q916 E917 G966 D971 I1008 | Q916-R1006 CarbonylContact C-O 3.22Å; Q916-R1006 WeakPolarHBondContact CA-O 3.34Å; E917-R1006 PolarHBondContact N-O 3.07Å; E917-R1006 PolarHBondContact O-N 2.69Å; G966-R1006 PolarHBondContact O-NH2 2.84Å; D971-R1006 WeakPolarHBondContact OD1-CG 3.09Å; D971-R1006 IonicContact OD1-CZ 3.55Å; D971-R1006 IonicContact OD1-NE 2.85Å; D971-R1006 PolarHBondContact OD1-NE 3.43Å; D971-R1006 IonicContact OD1-NH2 2.7Å; D971-R1006 PolarHBondContact OD1-NH2 3.33Å; D971-R1006 IonicContact OD2-CZ 3.53Å; D971-R1006 IonicContact OD2-NE 3.13Å; D971-R1006 IonicContact OD2-NH2 3.83Å; D971-R1006 PolarHBondContact OD2-NH2 3.37Å; R1006-I1008 PolarHBondContact O-N 2.84Å |
| 1007 | D | 76.3 | Confident | 61.4 | Low | 48 Ų | 48 | 85.5 Ų | 85.5 | 26% | 0.257 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 125.6 | 179.4 | -50.7 | -44.9 | 0 | 0 | 0 | 110.4 | C914 Q916 R945 Q1009 | C914-D1007 VanDerWaalsContact SG-CB 3.58Å; C914-D1007 PolarHBondContact SG-OD1 3.33Å; C914-D1007 VanDerWaalsContact SG-OD1 3.36Å; Q916-D1007 VanDerWaalsContact CG-OD1 3.31Å; Q916-D1007 WeakPolarHBondContact CG-OD1 3.32Å; Q916-D1007 PolarHBondContact NE2-OD1 3.38Å; R945-D1007 IonicContact CZ-OD2 2.69Å; R945-D1007 IonicContact NH1-OD2 3.4Å; R945-D1007 PolarHBondContact NH1-OD2 3.42Å; R945-D1007 IonicContact NH2-OD2 3.7Å; D1007-Q1009 PolarHBondContact O-N 2.88Å; D1007-Q1009 VanDerWaalsContact O-N 3.16Å |
| 1008 | I | 63.6 | Low | 58.7 | Low | 73 Ų | 73 | 91.1 Ų | 91.1 | 37% | 0.374 | 46% | 0.463 | S | S | . | . | trans | -77 | 103.1 | -179 | -58.8 | 170.4 | 0 | 0 | 0 | 109.9 | Q915 E917 R1006 M1010 | Q915-I1008 HydrophobicContact CB-CD1 4.01Å; Q915-I1008 WeakPolarHBondContact O-CB 3.21Å; Q915-I1008 WeakPolarHBondContact O-CG1 3.46Å; Q915-I1008 PolarHBondContact O-N 3.41Å; E917-I1008 HydrophobicContact CB-CD1 3.91Å; E917-I1008 HydrophobicContact CB-CG1 3.66Å; R1006-I1008 PolarHBondContact O-N 2.84Å; I1008-M1010 HydrophobicContact CG2-CG 4.41Å; I1008-M1010 PolarHBondContact O-N 3.12Å | ||
| 1009 | Q | 41.6 | Very low | 56 | Low | 152 Ų | 152 | 95.6 Ų | 95.6 | 71% | 0.71 | 49% | 0.485 | S | S | * | . | trans | -71.3 | 105.7 | 161.7 | -72.1 | -175.4 | -17.5 | 0 | 0 | 109.7 | D1007 S1011 | D1007-Q1009 PolarHBondContact O-N 2.88Å; D1007-Q1009 VanDerWaalsContact O-N 3.16Å; Q1009-S1011 VanDerWaalsContact C-N 3.35Å; Q1009-S1011 PolarHBondContact O-N 2.95Å | ||
| 1010 | M | 27.8 | Very low | 53.2 | Low | 144 Ų | 144 | 96.7 Ų | 96.7 | 71% | 0.709 | 49% | 0.489 | S | S | * | . | trans | -69.6 | 86.2 | 175.2 | -68.1 | -165.7 | -159.1 | 0 | 0 | 111.6 | I1008 T1012 | I1008-M1010 HydrophobicContact CG2-CG 4.41Å; I1008-M1010 PolarHBondContact O-N 3.12Å; M1010-T1012 PolarHBondContact O-N 3.39Å; M1010-T1012 VanDerWaalsContact O-N 3.16Å | ||
| 1011 | S | 28.2 | Very low | 50.4 | Low | 107 Ų | 107 | 101.1 Ų | 101.1 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | trans | -73.9 | 101.4 | 168.6 | 66.9 | 0 | 0 | 0 | 0 | 110.9 | Q1009 | Q1009-S1011 VanDerWaalsContact C-N 3.35Å; Q1009-S1011 PolarHBondContact O-N 2.95Å | ||
| 1012 | T | 28.8 | Very low | 47.3 | Very low | 141 Ų | 141 | 102 Ų | 102 | 87% | 0.865 | 54% | 0.54 | S | S | * | . | trans | -90.5 | 101.1 | 164.7 | 39.7 | 0 | 0 | 0 | 0 | 109.3 | M1010 | M1010-T1012 PolarHBondContact O-N 3.39Å; M1010-T1012 VanDerWaalsContact O-N 3.16Å | ||
| 1013 | K | 26.5 | Very low | 44.1 | Very low | 193 Ų | 193 | 110 Ų | 110 | 84% | 0.839 | 58% | 0.579 | S | S | * | * | trans | -77.1 | 145.5 | 166.3 | -79.5 | 179.8 | 173.2 | 176.6 | 0 | 110.2 | ||||
| 1014 | A | 26.4 | Very low | 41.1 | Very low | 86 Ų | 86 | 116.5 Ų | 116.5 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | trans | 83.8 | 137.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1015 | D | 28.6 | Very low | 38 | Very low | 128 Ų | 128 | 122 Ų | 122 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | trans | 77.1 | 93.1 | 150 | -61.3 | -36.1 | 0 | 0 | 0 | 122.1 | ||||
| 1016 | N | 26.3 | Very low | 35 | Very low | 133 Ų | 133 | 125.1 Ų | 125.1 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | 46.9 | 89.4 | 116.2 | -73.4 | -60.2 | 0 | 0 | 0 | 118 | |||||
| 1017 | Y | 27.3 | Very low | 32.3 | Very low | 223 Ų | 223 | 129 Ų | 129 | 88% | 0.875 | 71% | 0.711 | S | S | * | * | trans | -115.3 | 85.8 | 143.2 | -83.6 | -84.2 | 0 | 0 | 0 | 111.5 | ||||
| 1018 | K | 24.7 | Very low | 30.1 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 69% | 0.691 | 73% | 0.734 | S | S | * | * | trans | -68.6 | 124 | 151.7 | -83 | 179.3 | 170.6 | 177.5 | 0 | 108.6 | I1020 | K1018-I1020 HydrophobicContact CB-CD1 4.28Å; K1018-I1020 HydrophobicContact CB-CG1 4.31Å; K1018-I1020 HydrophobicContact CD-CD1 3.67Å; K1018-I1020 HydrophobicContact CG-CD1 3.87Å; K1018-I1020 HydrophobicContact CG-CG1 4.32Å | ||
| 1019 | I | 27.4 | Very low | 28.5 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 83% | 0.831 | 76% | 0.758 | S | S | * | * | trans | -125.8 | 111.7 | 142.2 | -59.9 | -175.9 | 0 | 0 | 0 | 107.9 | ||||
| 1020 | I | 26 | Very low | 28 | Very low | 117 Ų | 117 | 137.2 Ų | 137.2 | 60% | 0.6 | 76% | 0.76 | S | S | * | * | trans | -123.2 | 167 | 177.2 | -43.3 | 163.3 | 0 | 0 | 0 | 104.6 | K1018 | K1018-I1020 HydrophobicContact CB-CD1 4.28Å; K1018-I1020 HydrophobicContact CB-CG1 4.31Å; K1018-I1020 HydrophobicContact CD-CD1 3.67Å; K1018-I1020 HydrophobicContact CG-CD1 3.87Å; K1018-I1020 HydrophobicContact CG-CG1 4.32Å | ||
| 1021 | P | 30.1 | Very low | 28.1 | Very low | 97 Ų | 97 | 136.1 Ų | 136.1 | 63% | 0.63 | 75% | 0.754 | S | S | * | * | -120.8 | -173.4 | -59.2 | 40.1 | -26.6 | 0 | 0 | 0 | 111.7 | |||||
| 1022 | S | 28.2 | Very low | 28.1 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -166 | 126.2 | 131.3 | 7.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1023 | M | 25.1 | Very low | 28.2 | Very low | 168 Ų | 168 | 128.7 Ų | 128.7 | 83% | 0.828 | 71% | 0.706 | S | S | * | * | cis | 57 | 92.9 | 41.1 | -67.9 | -72.6 | -176.5 | 0 | 0 | 113.7 | ||||
| 1024 | L | 29.6 | Very low | 28.6 | Very low | 164 Ų | 164 | 127.6 Ų | 127.6 | 86% | 0.859 | 70% | 0.704 | S | S | * | * | trans | 170.6 | 101 | 146.5 | -90 | 152.5 | 0 | 0 | 0 | 106.8 | ||||
| 1025 | S | 27.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | 88.7 | 120 | 77.9 | -72.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1026 | G | 27.3 | Very low | 29.1 | Very low | 66 Ų | 66 | 128.2 Ų | 128.2 | 68% | 0.68 | 71% | 0.713 | S | S | * | * | trans | 127 | 126 | 138.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1027 | T | 31.1 | Very low | 29.3 | Very low | 117 Ų | 117 | 133.2 Ų | 133.2 | 72% | 0.718 | 72% | 0.722 | S | S | * | * | trans | 68.4 | 101.9 | 153.5 | 61 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1028 | N | 29.2 | Very low | 29.6 | Very low | 139 Ų | 139 | 129.3 Ų | 129.3 | 74% | 0.743 | 72% | 0.721 | S | S | * | * | 75.3 | 112.1 | 77.8 | -70.8 | -26.5 | 0 | 0 | 0 | 113.7 | |||||
| 1029 | L | 31 | Very low | 29.7 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 87% | 0.869 | 73% | 0.732 | S | S | * | * | -163.3 | 155.1 | 102 | -97 | 167.3 | 0 | 0 | 0 | 110.3 | |||||
| 1030 | N | 30.5 | Very low | 29.9 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | -136.3 | 177.9 | -160.9 | -168 | 14.7 | 0 | 0 | 0 | 110.5 | ||||
| 1031 | M | 30.1 | Very low | 29.9 | Very low | 120 Ų | 120 | 124.2 Ų | 124.2 | 59% | 0.591 | 74% | 0.735 | S | S | * | * | trans | 88.9 | 132.6 | 169.6 | -57.2 | -150.8 | -63.3 | 0 | 0 | 116.6 | N699 | N699-M1031 PolarHBondContact OD1-SD 3.07Š| ||
| 1032 | S | 29.7 | Very low | 29.9 | Very low | 36 Ų | 36 | 126.4 Ų | 126.4 | 25% | 0.252 | 74% | 0.739 | S | S | . | * | cis | 175.3 | -168.6 | -1.5 | 44.3 | 0 | 0 | 0 | 0 | 112.2 | T698 N699 | T698-S1032 WeakPolarHBondContact CA-O 3.44Å; T698-S1032 WeakPolarHBondContact CA-OG 3.44Å; T698-S1032 PolarHBondContact N-O 2.88Å; N699-S1032 VanDerWaalsContact N-CB 3.3Å; N699-S1032 PolarHBondContact N-OG 3.43Å; N699-S1032 PolarHBondContact ND2-OG 3.06Å; N699-S1032 VanDerWaalsContact ND2-OG 3.13Å; N699-S1032 WeakPolarHBondContact OD1-CB 3.09Å; N699-S1032 PolarHBondContact OD1-OG 2.64Å | ||
| 1033 | T | 31 | Very low | 30 | Very low | 56 Ų | 56 | 126.8 Ų | 126.8 | 34% | 0.344 | 73% | 0.732 | S | S | . | * | trans | -41.4 | -172.7 | -168.5 | 84.5 | 0 | 0 | 0 | 0 | 121.5 | V697 T698 N699 D700 | V697-T1033 CarbonylContact C-O 3.53Å; V697-T1033 VanDerWaalsContact C-O 3.25Å; T698-T1033 VanDerWaalsContact C-C 3.48Å; T698-T1033 CarbonylContact C-O 3.5Å; T698-T1033 VanDerWaalsContact C-O 3.27Å; T698-T1033 WeakPolarHBondContact CA-O 3.12Å; T698-T1033 PolarHBondContact N-O 2.76Å; T698-T1033 CarbonylContact O-C 3.47Å; T698-T1033 PolarHBondContact O-OG1 2.92Å; T698-T1033 VanDerWaalsContact O-OG1 3.08Å; N699-T1033 VanDerWaalsContact C-CG2 3.47Å; N699-T1033 WeakPolarHBondContact CA-OG1 3.42Å; N699-T1033 PolarHBondContact N-OG1 3.23Å; N699-T1033 WeakPolarHBondContact O-CG2 3.27Å; N699-T1033 PolarHBondContact O-OG1 3.08Å; D700-T1033 WeakPolarHBondContact OD1-CG2 3.5Å | ||
| 1034 | Q | 34.1 | Very low | 30.2 | Very low | 171 Ų | 171 | 124.9 Ų | 124.9 | 80% | 0.799 | 73% | 0.731 | S | S | * | * | -143.6 | 166 | 57.4 | -139.8 | 167.7 | 90.8 | 0 | 0 | 114.3 | T698 | T698-Q1034 PolarHBondContact O-NE2 2.84Š| |||
| 1035 | S | 32.4 | Very low | 30.2 | Very low | 109 Ų | 109 | 122 Ų | 122 | 76% | 0.762 | 71% | 0.711 | S | S | * | * | trans | -96.1 | 140.5 | -158.2 | -175.9 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1036 | S | 33 | Very low | 30.7 | Very low | 118 Ų | 118 | 125.6 Ų | 125.6 | 83% | 0.825 | 72% | 0.715 | S | S | * | * | trans | -149.2 | 130.8 | 148.8 | 59.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 1037 | R | 30.7 | Very low | 31.6 | Very low | 238 Ų | 238 | 129.8 Ų | 129.8 | 90% | 0.898 | 72% | 0.72 | S | S | * | * | trans | -81.1 | 125.8 | -172.9 | -65.1 | 168.5 | 171.6 | 162.2 | -4.7 | 113.3 | ||||
| 1038 | V | 33.8 | Very low | 33.3 | Very low | 141 Ų | 141 | 126.1 Ų | 126.1 | 86% | 0.855 | 70% | 0.699 | S | S | * | * | trans | -140.1 | 131.2 | 140.3 | -177.7 | 0 | 0 | 0 | 0 | 107.3 | G1040 | V1038-G1040 PolarHBondContact O-N 3.35Š| ||
| 1039 | T | 27.1 | Very low | 35.7 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 91% | 0.914 | 69% | 0.687 | S | S | * | * | trans | -79.7 | 100.5 | -179.3 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1040 | G | 29.9 | Very low | 38.3 | Very low | 66 Ų | 66 | 123.9 Ų | 123.9 | 68% | 0.68 | 68% | 0.677 | S | S | * | * | trans | -124.2 | 133 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111 | V1038 I1042 | V1038-G1040 PolarHBondContact O-N 3.35Å; G1040-I1042 PolarHBondContact O-N 3.1Å | ||
| 1041 | S | 27 | Very low | 41 | Very low | 116 Ų | 116 | 118.2 Ų | 118.2 | 81% | 0.811 | 65% | 0.646 | S | S | * | * | trans | -73.9 | 121.9 | -177.6 | -167.3 | 0 | 0 | 0 | 0 | 110.9 | N1043 | S1041-N1043 PolarHBondContact O-N 3.01Š| ||
| 1042 | I | 30.6 | Very low | 43.8 | Very low | 143 Ų | 143 | 117.4 Ų | 117.4 | 73% | 0.733 | 64% | 0.641 | S | S | * | * | trans | -77.1 | 111 | 168.1 | -61.6 | 175 | 0 | 0 | 0 | 107.1 | G1040 T1044 | G1040-I1042 PolarHBondContact O-N 3.1Å; I1042-T1044 HydrophobicContact CG2-CG2 4.36Å; I1042-T1044 PolarHBondContact O-N 2.88Å | ||
| 1043 | N | 30.1 | Very low | 46.6 | Very low | 121 Ų | 121 | 115.7 Ų | 115.7 | 65% | 0.647 | 63% | 0.629 | S | S | * | * | trans | -70.4 | 96.8 | 170.1 | -92.4 | -19 | 0 | 0 | 0 | 109.3 | S1041 K1045 | S1041-N1043 PolarHBondContact O-N 3.01Å; N1043-K1045 VanDerWaalsContact C-N 3.26Å; N1043-K1045 PolarHBondContact O-N 3.26Å | ||
| 1044 | T | 29 | Very low | 49.4 | Very low | 129 Ų | 129 | 116.3 Ų | 116.3 | 79% | 0.791 | 63% | 0.633 | S | S | * | * | trans | -82.9 | 78.2 | 157 | 54.9 | 0 | 0 | 0 | 0 | 108.3 | I1042 | I1042-T1044 HydrophobicContact CG2-CG2 4.36Å; I1042-T1044 PolarHBondContact O-N 2.88Å | ||
| 1045 | K | 30.4 | Very low | 52 | Low | 104 Ų | 104 | 108.2 Ų | 108.2 | 45% | 0.452 | 60% | 0.595 | S | S | . | * | trans | -122 | 151.9 | 169.7 | -62 | -170 | -176.2 | -170.3 | 0 | 107.8 | N1043 I1143 | N1043-K1045 VanDerWaalsContact C-N 3.26Å; N1043-K1045 PolarHBondContact O-N 3.26Å; K1045-I1143 HydrophobicContact CD-CD1 4.07Å | ||
| 1046 | E | 37.5 | Very low | 54.4 | Low | 190 Ų | 190 | 110.3 Ų | 110.3 | 89% | 0.888 | 59% | 0.593 | S | S | * | * | trans | 72 | 48.7 | -178.7 | -58.8 | 164.8 | -149.5 | 0 | 0 | 116.1 | ||||
| 1047 | I | 45.1 | Very low | 56.8 | Low | 155 Ų | 155 | 108.4 Ų | 108.4 | 80% | 0.795 | 57% | 0.567 | S | S | * | * | trans | -123.9 | 113.2 | 152.9 | -55 | 178.1 | 0 | 0 | 0 | 107.5 | ||||
| 1048 | P | 67.5 | Low | 59 | Low | 40 Ų | 40 | 99.1 Ų | 99.1 | 26% | 0.26 | 54% | 0.536 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 147.6 | 176.2 | 29.7 | -33.9 | 0 | 0 | 0 | 112 | L1137 R1138 Y1139 | P1048-L1137 HydrophobicContact CB-CD1 3.6Å; P1048-L1137 HydrophobicContact CB-CD2 4.39Å; P1048-L1137 HydrophobicContact CB-CG 3.86Å; P1048-L1137 HydrophobicContact CG-CD1 3.83Å; P1048-L1137 HydrophobicContact CG-CD2 4.44Å; P1048-L1137 HydrophobicContact CG-CG 4.32Å; P1048-R1138 WeakPolarHBondContact CA-O 3.49Å; P1048-Y1139 HydrophobicContact CB-CD1 3.82Å; P1048-Y1139 HydrophobicContact CB-CE1 3.67Å; P1048-Y1139 HydrophobicContact CB-CG 4.36Å; P1048-Y1139 HydrophobicContact CG-CE1 3.96Å |
| 1049 | E | 79.7 | Confident | 60.9 | Low | 107 Ų | 107 | 101 Ų | 101 | 50% | 0.5 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 121.2 | -179.4 | -175.9 | -178.7 | -144.1 | 0 | 0 | 110 | I1051 R1138 | E1049-I1051 HydrophobicContact CG-CD1 4.22Å; E1049-I1051 HydrophobicContact CG-CG1 3.85Å; E1049-R1138 HydrophobicContact CB-CB 4.34Å; E1049-R1138 PolarHBondContact N-O 3.17Å; E1049-R1138 PolarHBondContact O-N 2.67Å; E1049-R1138 IonicContact OE2-NH1 3.24Å |
| 1050 | F | 85.5 | Confident | 62.9 | Low | 151 Ų | 151 | 100.5 Ų | 100.5 | 66% | 0.662 | 53% | 0.532 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 128.1 | 170.9 | -79 | -92 | 0 | 0 | 0 | 110.4 | L1136 L1137 | F1050-L1136 WeakPolarHBondContact CA-O 3.3Å; F1050-L1137 HydrophobicContact CD1-CD1 3.96Å; F1050-L1137 HydrophobicContact CD2-CD1 3.74Å; F1050-L1137 HydrophobicContact CE1-CD1 3.79Å; F1050-L1137 HydrophobicContact CE2-CD1 3.54Å; F1050-L1137 HydrophobicContact CG-CD1 3.95Å; F1050-L1137 HydrophobicContact CZ-CD1 3.57Å |
| 1051 | I | 87.4 | Confident | 65.4 | Low | 22 Ų | 22 | 98.6 Ų | 98.6 | 11% | 0.113 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 129.9 | -173.7 | -53.4 | 171.3 | 0 | 0 | 0 | 109.4 | E1049 L1136 R1138 | E1049-I1051 HydrophobicContact CG-CD1 4.22Å; E1049-I1051 HydrophobicContact CG-CG1 3.85Å; I1051-L1136 HydrophobicContact CB-CB 4.22Å; I1051-L1136 HydrophobicContact CB-CD1 4.33Å; I1051-L1136 HydrophobicContact CG2-CD1 4.26Å; I1051-L1136 PolarHBondContact N-O 2.7Å; I1051-L1136 PolarHBondContact O-N 2.85Å; I1051-R1138 HydrophobicContact CD1-CB 3.88Å |
| 1052 | H | 89.3 | Confident | 68.3 | Low | 103 Ų | 103 | 94 Ų | 94 | 48% | 0.477 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 120 | 176 | -173.3 | 87.8 | 0 | 0 | 0 | 110.2 | Q1098 L1134 | H1052-Q1098 PolarHBondContact O-OE1 3.15Å; H1052-Q1098 VanDerWaalsContact O-OE1 3.12Å; H1052-L1134 CarbonylContact C-O 3.27Å; H1052-L1134 WeakPolarHBondContact CA-O 3.43Å |
| 1053 | C | 88.3 | Confident | 71 | Confident | 0 Ų | 0 | 87.6 Ų | 87.6 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 98.3 | -164.4 | 177 | 0 | 0 | 0 | 0 | 110.9 | Q1096 L1134 L1136 | C1053-Q1096 PolarHBondContact SG-NE2 3.12Å; C1053-L1134 HydrophobicContact CB-CB 4.28Å; C1053-L1134 PolarHBondContact N-O 3.4Å; C1053-L1134 PolarHBondContact O-N 2.92Å; C1053-L1136 HydrophobicContact CB-CD1 3.67Å; C1053-L1136 HydrophobicContact CB-CG 4.47Å |
| 1054 | T | 89.2 | Confident | 74 | Confident | 70 Ų | 70 | 83 Ų | 83 | 43% | 0.429 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 126 | 169.8 | -52.6 | 0 | 0 | 0 | 0 | 110.4 | Q1096 V1132 D1133 | T1054-Q1096 PolarHBondContact O-NE2 2.87Å; T1054-Q1096 VanDerWaalsContact O-NE2 3.16Å; T1054-V1132 CarbonylContact C-O 3.56Å; T1054-V1132 WeakPolarHBondContact CA-O 3.5Å; T1054-D1133 WeakPolarHBondContact CB-OD1 3.39Å; T1054-D1133 WeakPolarHBondContact CG2-OD1 3.48Å; T1054-D1133 PolarHBondContact OG1-OD1 3.23Å |
| 1055 | L | 88.3 | Confident | 76.8 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 128.7 | 175 | -65 | 179.9 | 0 | 0 | 0 | 110.6 | L1062 F1064 A1093 Q1096 S1131 V1132 L1134 | L1055-L1062 HydrophobicContact CB-CD2 3.92Å; L1055-F1064 HydrophobicContact CD1-CD1 3.7Å; L1055-F1064 HydrophobicContact CD1-CE1 3.41Å; L1055-F1064 VanDerWaalsContact CD1-CE1 3.41Å; L1055-F1064 HydrophobicContact CD1-CZ 4.39Å; L1055-A1093 HydrophobicContact CD1-CB 4.13Å; L1055-A1093 HydrophobicContact CD2-CB 4.21Å; L1055-Q1096 HydrophobicContact CD2-CB 3.67Å; L1055-Q1096 HydrophobicContact CD2-CG 3.77Å; L1055-S1131 CarbonylContact O-C 3.47Å; L1055-S1131 WeakPolarHBondContact O-CA 3.38Å; L1055-V1132 PolarHBondContact N-O 2.8Å; L1055-V1132 PolarHBondContact O-N 3.07Å; L1055-L1134 HydrophobicContact CD1-CD1 3.79Å; L1055-L1134 HydrophobicContact CG-CD1 4.46Å |
| 1056 | Q | 83.6 | Confident | 79.7 | Confident | 153 Ų | 153 | 74.8 Ų | 74.8 | 72% | 0.715 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | 128.2 | 174.2 | -167.5 | 169.5 | 9.3 | 0 | 0 | 109.2 | D1058 A1092 | Q1056-D1058 PolarHBondContact O-N 3.17Å; Q1056-A1092 WeakPolarHBondContact O-CB 3.28Å |
| 1057 | R | 82.2 | Confident | 81.8 | Confident | 78 Ų | 78 | 67.5 Ų | 67.5 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | trans | -62.6 | 133.7 | -179.3 | -88.2 | -176.9 | -177.9 | 167.6 | 6.9 | 110.9 | L1062 L1125 T1126 S1128 D1130 | R1057-L1062 HydrophobicContact CG-CD2 3.7Å; R1057-L1062 HydrophobicContact CG-CG 4.08Å; R1057-L1125 PolarHBondContact NH2-O 3.3Å; R1057-T1126 PolarHBondContact NH2-O 2.83Å; R1057-S1128 PolarHBondContact NH1-O 2.66Å; R1057-S1128 PolarHBondContact NH2-O 3.15Å; R1057-D1130 PolarHBondContact N-O 3.49Å; R1057-D1130 VanDerWaalsContact N-O 3.11Å | ||
| 1058 | D | 76.8 | Confident | 83.6 | Confident | 44 Ų | 44 | 60.4 Ų | 60.4 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -103.1 | -178.1 | 164 | 74.6 | 28.6 | 0 | 0 | 0 | 111.1 | Q1056 N1060 G1061 A1092 K1095 | Q1056-D1058 PolarHBondContact O-N 3.17Å; D1058-N1060 PolarHBondContact O-N 2.85Å; D1058-N1060 WeakPolarHBondContact OD1-CA 3.42Å; D1058-N1060 WeakPolarHBondContact OD1-CB 3.22Å; D1058-N1060 PolarHBondContact OD1-N 2.83Å; D1058-G1061 PolarHBondContact N-O 3.29Å; D1058-G1061 PolarHBondContact O-N 2.78Å; D1058-A1092 PolarHBondContact OD2-N 3.27Å; D1058-K1095 IonicContact OD2-NZ 2.74Å; D1058-K1095 PolarHBondContact OD2-NZ 3.41Å |
| 1059 | L | 74.6 | Confident | 84 | Confident | 180 Ų | 180 | 58.6 Ų | 58.6 | 94% | 0.942 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -16.9 | -179.3 | -65.7 | 168.2 | 0 | 0 | 0 | 113.5 | ||
| 1060 | N | 68.3 | Low | 83.5 | Confident | 139 Ų | 139 | 58 Ų | 58 | 74% | 0.743 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | 14.9 | 178.6 | -56 | -12.9 | 0 | 0 | 0 | 112 | D1058 | D1058-N1060 PolarHBondContact O-N 2.85Å; D1058-N1060 WeakPolarHBondContact OD1-CA 3.42Å; D1058-N1060 WeakPolarHBondContact OD1-CB 3.22Å; D1058-N1060 PolarHBondContact OD1-N 2.83Å |
| 1061 | G | 82.5 | Confident | 82.3 | Confident | 25 Ų | 25 | 54.5 Ų | 54.5 | 26% | 0.258 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | 89 | -142.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | D1058 | D1058-G1061 PolarHBondContact N-O 3.29Å; D1058-G1061 PolarHBondContact O-N 2.78Å |
| 1062 | L | 87.8 | Confident | 80.8 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.099 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -16.4 | -178.4 | -64.9 | 168.9 | 0 | 0 | 0 | 113.5 | L1055 R1057 F1064 A1093 L1125 V1132 | L1055-L1062 HydrophobicContact CB-CD2 3.92Å; R1057-L1062 HydrophobicContact CG-CD2 3.7Å; R1057-L1062 HydrophobicContact CG-CG 4.08Å; L1062-F1064 HydrophobicContact CB-CD1 3.82Å; L1062-F1064 HydrophobicContact CB-CE1 3.68Å; L1062-F1064 HydrophobicContact CD1-CE1 4.01Å; L1062-F1064 HydrophobicContact CG-CE1 4.42Å; L1062-A1093 WeakPolarHBondContact O-CB 3.45Å; L1062-A1093 PolarHBondContact O-N 3.36Å; L1062-L1125 HydrophobicContact CD1-CB 4.34Å; L1062-L1125 HydrophobicContact CD1-CD2 4.24Å; L1062-V1132 HydrophobicContact CD1-CB 4.4Å; L1062-V1132 HydrophobicContact CD1-CG2 3.89Å; L1062-V1132 HydrophobicContact CD2-CB 4.16Å; L1062-V1132 HydrophobicContact CD2-CG2 3.78Å; L1062-V1132 HydrophobicContact CG-CG2 4.44Å |
| 1063 | G | 88.8 | Confident | 78.8 | Confident | 10 Ų | 10 | 57.7 Ų | 57.7 | 10% | 0.103 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 73.6 | 23.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T1088 | G1063-T1088 WeakPolarHBondContact O-CB 3.32Å; G1063-T1088 PolarHBondContact O-N 2.83Å |
| 1064 | F | 91.8 | Very high | 76.7 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 11% | 0.11 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 168.5 | 169.6 | 74.6 | -81.5 | 0 | 0 | 0 | 111 | L1055 L1062 I1066 V1084 K1086 I1087 A1093 L1099 I1105 L1125 L1134 | L1055-F1064 HydrophobicContact CD1-CD1 3.7Å; L1055-F1064 HydrophobicContact CD1-CE1 3.41Å; L1055-F1064 VanDerWaalsContact CD1-CE1 3.41Å; L1055-F1064 HydrophobicContact CD1-CZ 4.39Å; L1062-F1064 HydrophobicContact CB-CD1 3.82Å; L1062-F1064 HydrophobicContact CB-CE1 3.68Å; L1062-F1064 HydrophobicContact CD1-CE1 4.01Å; L1062-F1064 HydrophobicContact CG-CE1 4.42Å; F1064-I1066 HydrophobicContact CD2-CG2 4.14Å; F1064-I1066 HydrophobicContact CE2-CG2 3.66Å; F1064-V1084 HydrophobicContact CB-CG1 4.46Å; F1064-V1084 HydrophobicContact CD2-CG1 4.28Å; F1064-V1084 HydrophobicContact CD2-CG2 4.27Å; F1064-K1086 CarbonylContact C-O 3.25Å; F1064-K1086 VanDerWaalsContact CA-O 3.28Å; F1064-K1086 WeakPolarHBondContact CA-O 3.27Å; F1064-K1086 WeakPolarHBondContact CB-O 3.43Å; F1064-I1087 HydrophobicContact CB-CG1 4.24Å; F1064-A1093 HydrophobicContact CB-CB 3.93Å; F1064-A1093 HydrophobicContact CD1-CB 4.03Å; F1064-A1093 HydrophobicContact CG-CB 4.39Å; F1064-L1099 HydrophobicContact CB-CD2 3.54Å; F1064-L1099 HydrophobicContact CD1-CD2 3.82Å; F1064-L1099 HydrophobicContact CD2-CD2 3.72Å; F1064-L1099 HydrophobicContact CE1-CD2 4.43Å; F1064-L1099 HydrophobicContact CE2-CD2 4.35Å; F1064-L1099 HydrophobicContact CG-CD2 3.42Å; F1064-L1099 VanDerWaalsContact CG-CD2 3.42Å; F1064-I1105 HydrophobicContact CE2-CD1 3.95Å; F1064-L1125 HydrophobicContact CE2-CD1 4.21Å; F1064-L1125 HydrophobicContact CZ-CD1 3.97Å; F1064-L1125 HydrophobicContact CZ-CD2 3.88Å; F1064-L1134 HydrophobicContact CE1-CD1 4.07Å; F1064-L1134 HydrophobicContact CE2-CD1 4.47Å; F1064-L1134 HydrophobicContact CZ-CD1 3.73Å |
| 1065 | S | 88.9 | Confident | 74.3 | Confident | 37 Ų | 37 | 63.7 Ų | 63.7 | 26% | 0.259 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153 | 177.1 | -51.6 | 0 | 0 | 0 | 0 | 110.2 | V1084 S1085 K1086 | S1065-V1084 CarbonylContact O-C 3.45Å; S1065-V1084 WeakPolarHBondContact O-CA 3.3Å; S1065-S1085 VanDerWaalsContact C-OG 3.32Å; S1065-S1085 WeakPolarHBondContact CB-OG 3.15Å; S1065-S1085 PolarHBondContact O-N 2.84Å; S1065-S1085 PolarHBondContact O-OG 2.79Å; S1065-K1086 PolarHBondContact N-O 3.07Å |
| 1066 | I | 90 | Very high | 72.1 | Confident | 23 Ų | 23 | 66.8 Ų | 66.8 | 12% | 0.118 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 163.3 | 177.3 | 59.9 | 169.7 | 0 | 0 | 0 | 111.6 | F1064 I1082 Y1083 S1085 I1105 A1121 I1122 L1125 | F1064-I1066 HydrophobicContact CD2-CG2 4.14Å; F1064-I1066 HydrophobicContact CE2-CG2 3.66Å; I1066-I1082 HydrophobicContact CB-CG2 3.89Å; I1066-I1082 HydrophobicContact CD1-CG2 3.82Å; I1066-I1082 HydrophobicContact CG1-CG2 4.39Å; I1066-I1082 HydrophobicContact CG2-CG2 4.21Å; I1066-Y1083 CarbonylContact C-O 3.51Å; I1066-Y1083 WeakPolarHBondContact CA-O 3.49Å; I1066-S1085 VanDerWaalsContact C-OG 3.31Å; I1066-S1085 PolarHBondContact N-OG 2.93Å; I1066-S1085 PolarHBondContact O-OG 3.22Å; I1066-S1085 VanDerWaalsContact O-OG 3.12Å; I1066-I1105 HydrophobicContact CG2-CD1 3.52Å; I1066-A1121 HydrophobicContact CD1-CB 3.95Å; I1066-I1122 HydrophobicContact CD1-CG1 4.15Å; I1066-L1125 HydrophobicContact CD1-CD1 4.14Å; I1066-L1125 HydrophobicContact CG2-CD1 4.19Å |
| 1067 | A | 82 | Confident | 70.1 | Confident | 36 Ų | 36 | 66.8 Ų | 66.8 | 30% | 0.298 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 162.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | I1082 Y1083 | A1067-I1082 CarbonylContact O-C 3.59Å; A1067-I1082 WeakPolarHBondContact O-CA 3.21Å; A1067-Y1083 PolarHBondContact N-O 3.4Å; A1067-Y1083 PolarHBondContact O-N 2.95Å |
| 1068 | G | 82.8 | Confident | 68.2 | Low | 7 Ų | 7 | 68.1 Ų | 68.1 | 7% | 0.072 | 41% | 0.411 | C | S | . | . | trans | 80.9 | -168.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A1081 H1118 | G1068-A1081 WeakPolarHBondContact CA-O 3.14Å; G1068-H1118 PolarHBondContact O-ND1 3.27Å | ||
| 1069 | G | 76.1 | Confident | 67 | Low | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.01 | 43% | 0.43 | C | S | . | . | trans | 111.8 | 155 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1071 S1072 E1080 A1081 A1116 | G1069-G1071 PolarHBondContact O-N 3.27Å; G1069-S1072 PolarHBondContact O-N 2.87Å; G1069-S1072 PolarHBondContact O-OG 3Å; G1069-E1080 CarbonylContact C-O 3.54Å; G1069-E1080 VanDerWaalsContact C-O 3.29Å; G1069-E1080 WeakPolarHBondContact CA-O 3.48Å; G1069-E1080 PolarHBondContact N-O 2.9Å; G1069-E1080 VanDerWaalsContact N-O 3.12Å; G1069-A1081 PolarHBondContact N-O 2.93Å; G1069-A1116 WeakPolarHBondContact CA-O 3.48Å | ||
| 1070 | Q | 68.8 | Low | 66.6 | Low | 96 Ų | 96 | 67.7 Ų | 67.7 | 45% | 0.449 | 41% | 0.407 | S | S | . | . | B | Isolated β-bridge | trans | -59.5 | 129.7 | -174.4 | -160.5 | 174.5 | 26 | 0 | 0 | 111.6 | N1115 A1116 R1117 | Q1070-N1115 PolarHBondContact OE1-O 3.06Å; Q1070-A1116 PolarHBondContact N-O 3.18Å; Q1070-R1117 HydrophobicContact CB-CG 4.48Å |
| 1071 | G | 62 | Low | 67.1 | Low | 76 Ų | 76 | 61.4 Ų | 61.4 | 78% | 0.784 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 8.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | G1069 L1073 | G1069-G1071 PolarHBondContact O-N 3.27Å; G1071-L1073 PolarHBondContact O-N 3.31Å |
| 1072 | S | 55.6 | Low | 67.3 | Low | 44 Ų | 44 | 60.2 Ų | 60.2 | 31% | 0.308 | 36% | 0.362 | S | S | . | . | trans | -81.4 | 107.8 | 175.3 | 71.3 | 0 | 0 | 0 | 0 | 112.4 | G1069 | G1069-S1072 PolarHBondContact O-N 2.87Å; G1069-S1072 PolarHBondContact O-OG 3Å | ||
| 1073 | L | 46.9 | Very low | 67.4 | Low | 149 Ų | 149 | 61.8 Ų | 61.8 | 78% | 0.78 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -97.6 | 144.9 | 171.2 | -75.5 | 171.7 | 0 | 0 | 0 | 112.1 | G1071 P1075 | G1071-L1073 PolarHBondContact O-N 3.31Å; L1073-P1075 HydrophobicContact CD2-CG 4.21Å |
| 1074 | P | 44.7 | Very low | 67.5 | Low | 94 Ų | 94 | 61.4 Ų | 61.4 | 61% | 0.61 | 36% | 0.362 | S | S | * | . | S | Bend | cis | -74.4 | 155.9 | -7.4 | 32.4 | -33.7 | 0 | 0 | 0 | 111.3 | P1076 | P1074-P1076 WeakPolarHBondContact O-CD 3.28Š|
| 1075 | P | 38.1 | Very low | 67.3 | Low | 102 Ų | 102 | 62.5 Ų | 62.5 | 66% | 0.662 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.1 | 124.8 | 178.4 | -15.3 | 30.1 | 0 | 0 | 0 | 109.7 | L1073 | L1073-P1075 HydrophobicContact CD2-CG 4.21Š|
| 1076 | P | 41.3 | Very low | 67.2 | Low | 65 Ų | 65 | 64.9 Ų | 64.9 | 42% | 0.422 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 145.2 | 156.3 | -9.2 | 26.4 | 0 | 0 | 0 | 107.8 | P1074 D1078 | P1074-P1076 WeakPolarHBondContact O-CD 3.28Å; P1076-D1078 PolarHBondContact O-N 3.28Å |
| 1077 | L | 42 | Very low | 67.2 | Low | 152 Ų | 152 | 65.7 Ų | 65.7 | 80% | 0.796 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -44.5 | 124.9 | -179.4 | -66.6 | 89.6 | 0 | 0 | 0 | 111.4 | ||
| 1078 | D | 42.2 | Very low | 67.3 | Low | 107 Ų | 107 | 67.1 Ų | 67.1 | 57% | 0.572 | 39% | 0.388 | S | S | * | . | S | Bend | trans | 55.8 | 112.6 | 171.5 | -47.9 | -25 | 0 | 0 | 0 | 116.7 | P1076 Y1083 | P1076-D1078 PolarHBondContact O-N 3.28Å; D1078-Y1083 PolarHBondContact O-OH 3.36Å |
| 1079 | N | 52.6 | Low | 67.2 | Low | 120 Ų | 120 | 75.1 Ų | 75.1 | 64% | 0.642 | 42% | 0.423 | S | S | * | . | trans | 83.7 | 134.5 | 168.2 | -43.1 | -83.1 | 0 | 0 | 0 | 117.3 | A1081 | N1079-A1081 HydrophobicContact CB-CB 4.29Å; N1079-A1081 PolarHBondContact O-N 3.1Å | ||
| 1080 | E | 65.3 | Low | 67.4 | Low | 95 Ų | 95 | 76.9 Ų | 76.9 | 44% | 0.444 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -62 | 5.4 | 172.3 | -53 | 178.3 | 114.2 | 0 | 0 | 114.6 | G1069 | G1069-E1080 CarbonylContact C-O 3.54Å; G1069-E1080 VanDerWaalsContact C-O 3.29Å; G1069-E1080 WeakPolarHBondContact CA-O 3.48Å; G1069-E1080 PolarHBondContact N-O 2.9Å; G1069-E1080 VanDerWaalsContact N-O 3.12Å |
| 1081 | A | 78.9 | Confident | 68.1 | Low | 6 Ų | 6 | 72.4 Ų | 72.4 | 5% | 0.05 | 42% | 0.421 | C | S | . | . | trans | -74.7 | 162.3 | -172 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1068 G1069 N1079 Y1083 Q1104 | G1068-A1081 WeakPolarHBondContact CA-O 3.14Å; G1069-A1081 PolarHBondContact N-O 2.93Å; N1079-A1081 HydrophobicContact CB-CB 4.29Å; N1079-A1081 PolarHBondContact O-N 3.1Å; A1081-Y1083 HydrophobicContact CB-CE2 3.95Å; A1081-Y1083 VanDerWaalsContact O-CD2 3.28Å; A1081-Y1083 WeakPolarHBondContact O-CD2 3.35Å; A1081-Y1083 WeakPolarHBondContact O-CE2 3.3Å; A1081-Q1104 HydrophobicContact CB-CG 4Å; A1081-Q1104 VanDerWaalsContact CB-NE2 3.27Å | ||
| 1082 | I | 87.2 | Confident | 69.3 | Low | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | trans | -100.8 | 120 | -177.7 | -62.6 | -178.6 | 0 | 0 | 0 | 109.8 | I1066 A1067 I1105 I1113 A1116 A1121 | I1066-I1082 HydrophobicContact CB-CG2 3.89Å; I1066-I1082 HydrophobicContact CD1-CG2 3.82Å; I1066-I1082 HydrophobicContact CG1-CG2 4.39Å; I1066-I1082 HydrophobicContact CG2-CG2 4.21Å; A1067-I1082 CarbonylContact O-C 3.59Å; A1067-I1082 WeakPolarHBondContact O-CA 3.21Å; I1082-I1105 PolarHBondContact O-N 3.27Å; I1082-I1113 HydrophobicContact CB-CD1 4.15Å; I1082-I1113 HydrophobicContact CD1-CD1 4.25Å; I1082-I1113 HydrophobicContact CG2-CD1 4.28Å; I1082-A1116 HydrophobicContact CD1-CB 4.32Å; I1082-A1121 HydrophobicContact CD1-CB 3.38Å; I1082-A1121 HydrophobicContact CG2-CB 4.43Å | ||
| 1083 | Y | 89.9 | Confident | 71 | Confident | 52 Ų | 52 | 67.1 Ų | 67.1 | 20% | 0.204 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 151.7 | -174.6 | -56.6 | -88.7 | 0 | 0 | 0 | 112.3 | I1066 A1067 D1078 A1081 S1085 D1103 Q1104 | I1066-Y1083 CarbonylContact C-O 3.51Å; I1066-Y1083 WeakPolarHBondContact CA-O 3.49Å; A1067-Y1083 PolarHBondContact N-O 3.4Å; A1067-Y1083 PolarHBondContact O-N 2.95Å; D1078-Y1083 PolarHBondContact O-OH 3.36Å; A1081-Y1083 HydrophobicContact CB-CE2 3.95Å; A1081-Y1083 VanDerWaalsContact O-CD2 3.28Å; A1081-Y1083 WeakPolarHBondContact O-CD2 3.35Å; A1081-Y1083 WeakPolarHBondContact O-CE2 3.3Å; Y1083-S1085 PolarHBondContact O-N 3.26Å; Y1083-D1103 CarbonylContact C-O 3.58Å; Y1083-D1103 WeakPolarHBondContact CA-O 3.46Å; Y1083-Q1104 HydrophobicContact CD1-CB 3.69Å; Y1083-Q1104 HydrophobicContact CD1-CG 4.09Å; Y1083-Q1104 HydrophobicContact CE1-CB 3.74Å; Y1083-Q1104 HydrophobicContact CE1-CG 3.9Å |
| 1084 | V | 90.9 | Very high | 73 | Confident | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 106.4 | 170.3 | 179.9 | 0 | 0 | 0 | 0 | 109.6 | F1064 S1065 I1087 L1099 R1100 V1101 G1102 D1103 I1105 | F1064-V1084 HydrophobicContact CB-CG1 4.46Å; F1064-V1084 HydrophobicContact CD2-CG1 4.28Å; F1064-V1084 HydrophobicContact CD2-CG2 4.27Å; S1065-V1084 CarbonylContact O-C 3.45Å; S1065-V1084 WeakPolarHBondContact O-CA 3.3Å; V1084-I1087 HydrophobicContact CG1-CD1 4.33Å; V1084-I1087 HydrophobicContact CG1-CG1 3.92Å; V1084-L1099 HydrophobicContact CG1-CD2 3.98Å; V1084-L1099 HydrophobicContact CG1-CG 4.18Å; V1084-L1099 HydrophobicContact CG2-CD1 3.75Å; V1084-L1099 HydrophobicContact CG2-CD2 4.05Å; V1084-L1099 HydrophobicContact CG2-CG 3.94Å; V1084-R1100 WeakPolarHBondContact CB-O 3.27Å; V1084-R1100 WeakPolarHBondContact CG1-O 3.48Å; V1084-V1101 CarbonylContact O-C 3.5Å; V1084-V1101 WeakPolarHBondContact O-CA 3.33Å; V1084-G1102 PolarHBondContact O-N 3Å; V1084-D1103 HydrophobicContact CB-CB 4.48Å; V1084-D1103 HydrophobicContact CG2-CB 4.1Å; V1084-D1103 PolarHBondContact N-O 2.86Å; V1084-I1105 HydrophobicContact CG2-CD1 4.12Å; V1084-I1105 HydrophobicContact CG2-CG1 4.11Å |
| 1085 | S | 86.2 | Confident | 74.9 | Confident | 49 Ų | 49 | 67 Ų | 67 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | -25.7 | -177.6 | 59.6 | 0 | 0 | 0 | 0 | 113.6 | S1065 I1066 Y1083 | S1065-S1085 VanDerWaalsContact C-OG 3.32Å; S1065-S1085 WeakPolarHBondContact CB-OG 3.15Å; S1065-S1085 PolarHBondContact O-N 2.84Å; S1065-S1085 PolarHBondContact O-OG 2.79Å; I1066-S1085 VanDerWaalsContact C-OG 3.31Å; I1066-S1085 PolarHBondContact N-OG 2.93Å; I1066-S1085 PolarHBondContact O-OG 3.22Å; I1066-S1085 VanDerWaalsContact O-OG 3.12Å; Y1083-S1085 PolarHBondContact O-N 3.26Å |
| 1086 | K | 88.3 | Confident | 77.2 | Confident | 87 Ų | 87 | 64.6 Ų | 64.6 | 38% | 0.378 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 150.4 | -177.2 | -172.5 | 176.4 | 175.1 | -176.1 | 0 | 111.5 | F1064 S1065 | F1064-K1086 CarbonylContact C-O 3.25Å; F1064-K1086 VanDerWaalsContact CA-O 3.28Å; F1064-K1086 WeakPolarHBondContact CA-O 3.27Å; F1064-K1086 WeakPolarHBondContact CB-O 3.43Å; S1065-K1086 PolarHBondContact N-O 3.07Å |
| 1087 | I | 88.5 | Confident | 79.3 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 20% | 0.2 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132 | 168.4 | -61.4 | 177.2 | 0 | 0 | 0 | 108.3 | F1064 V1084 A1093 H1094 L1099 V1101 | F1064-I1087 HydrophobicContact CB-CG1 4.24Å; V1084-I1087 HydrophobicContact CG1-CD1 4.33Å; V1084-I1087 HydrophobicContact CG1-CG1 3.92Å; I1087-A1093 HydrophobicContact CG2-CB 4.27Å; I1087-H1094 HydrophobicContact CG2-CB 3.93Å; I1087-L1099 VanDerWaalsContact CD1-C 3.43Å; I1087-L1099 HydrophobicContact CD1-CB 3.96Å; I1087-L1099 HydrophobicContact CD1-CD2 4.18Å; I1087-L1099 HydrophobicContact CD1-CG 4.05Å; I1087-L1099 WeakPolarHBondContact CD1-O 3.05Å; I1087-L1099 HydrophobicContact CG1-CD2 4.29Å; I1087-V1101 HydrophobicContact CG1-CG2 4.2Å |
| 1088 | T | 84.3 | Confident | 81.4 | Confident | 67 Ų | 67 | 61.3 Ų | 61.3 | 41% | 0.411 | 33% | 0.328 | S | S | . | . | trans | -86.1 | 116.5 | -177.5 | -62.3 | 0 | 0 | 0 | 0 | 109.9 | G1063 G1090 G1091 H1094 | G1063-T1088 WeakPolarHBondContact O-CB 3.32Å; G1063-T1088 PolarHBondContact O-N 2.83Å; T1088-G1090 PolarHBondContact O-N 3.33Å; T1088-G1091 PolarHBondContact O-N 3.49Å; T1088-H1094 VanDerWaalsContact O-CB 3.27Å; T1088-H1094 WeakPolarHBondContact O-CB 3.46Å | ||
| 1089 | E | 80.7 | Confident | 83.6 | Confident | 175 Ų | 175 | 56.6 Ų | 56.6 | 82% | 0.818 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | 124.2 | 174 | -71.2 | -169.5 | 159.3 | 0 | 0 | 111.1 | G1091 | E1089-G1091 VanDerWaalsContact C-N 3.3Å; E1089-G1091 PolarHBondContact O-N 3.13Å |
| 1090 | G | 80.9 | Confident | 85.3 | Confident | 38 Ų | 38 | 57.4 Ų | 57.4 | 39% | 0.392 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | T1088 H1094 K1095 | T1088-G1090 PolarHBondContact O-N 3.33Å; G1090-H1094 PolarHBondContact N-ND1 2.82Å; G1090-H1094 VanDerWaalsContact N-ND1 3.14Å; G1090-K1095 WeakPolarHBondContact O-CE 3.35Å; G1090-K1095 PolarHBondContact O-NZ 3.19Å |
| 1091 | G | 84.2 | Confident | 86.3 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -75 | 174.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T1088 E1089 A1093 H1094 K1095 | T1088-G1091 PolarHBondContact O-N 3.49Å; E1089-G1091 VanDerWaalsContact C-N 3.3Å; E1089-G1091 PolarHBondContact O-N 3.13Å; G1091-A1093 PolarHBondContact O-N 2.87Å; G1091-H1094 PolarHBondContact O-N 3.39Å; G1091-K1095 WeakPolarHBondContact O-CG 3.46Å; G1091-K1095 PolarHBondContact O-N 2.86Å |
| 1092 | A | 87.4 | Confident | 86.4 | Confident | 8 Ų | 8 | 59.2 Ų | 59.2 | 7% | 0.066 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56 | -47.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1056 D1058 H1094 K1095 Q1096 | Q1056-A1092 WeakPolarHBondContact O-CB 3.28Å; D1058-A1092 PolarHBondContact OD2-N 3.27Å; A1092-H1094 PolarHBondContact O-N 3.01Å; A1092-K1095 WeakPolarHBondContact O-CB 3.48Å; A1092-K1095 PolarHBondContact O-N 3.44Å; A1092-Q1096 WeakPolarHBondContact O-CB 3.35Å; A1092-Q1096 PolarHBondContact O-N 3.01Å |
| 1093 | A | 90.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -41 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1055 L1062 F1064 I1087 G1091 Q1096 G1097 L1099 | L1055-A1093 HydrophobicContact CD1-CB 4.13Å; L1055-A1093 HydrophobicContact CD2-CB 4.21Å; L1062-A1093 WeakPolarHBondContact O-CB 3.45Å; L1062-A1093 PolarHBondContact O-N 3.36Å; F1064-A1093 HydrophobicContact CB-CB 3.93Å; F1064-A1093 HydrophobicContact CD1-CB 4.03Å; F1064-A1093 HydrophobicContact CG-CB 4.39Å; I1087-A1093 HydrophobicContact CG2-CB 4.27Å; G1091-A1093 PolarHBondContact O-N 2.87Å; A1093-Q1096 PolarHBondContact O-N 3.17Å; A1093-G1097 PolarHBondContact O-N 3.13Å; A1093-L1099 HydrophobicContact CB-CD2 3.86Å |
| 1094 | H | 88.5 | Confident | 86.6 | Confident | 100 Ų | 100 | 58 Ų | 58 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.1 | -36.3 | 175.3 | -177.2 | -102 | 0 | 0 | 0 | 112.7 | I1087 T1088 G1090 G1091 A1092 Q1096 | I1087-H1094 HydrophobicContact CG2-CB 3.93Å; T1088-H1094 VanDerWaalsContact O-CB 3.27Å; T1088-H1094 WeakPolarHBondContact O-CB 3.46Å; G1090-H1094 PolarHBondContact N-ND1 2.82Å; G1090-H1094 VanDerWaalsContact N-ND1 3.14Å; G1091-H1094 PolarHBondContact O-N 3.39Å; A1092-H1094 PolarHBondContact O-N 3.01Å; H1094-Q1096 VanDerWaalsContact C-N 3.34Å |
| 1095 | K | 84.9 | Confident | 86.7 | Confident | 140 Ų | 140 | 58 Ų | 58 | 61% | 0.609 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -68.3 | -32.9 | 174.7 | -70.4 | 165.4 | 174.5 | 124.3 | 0 | 112.5 | D1058 G1090 G1091 A1092 | D1058-K1095 IonicContact OD2-NZ 2.74Å; D1058-K1095 PolarHBondContact OD2-NZ 3.41Å; G1090-K1095 WeakPolarHBondContact O-CE 3.35Å; G1090-K1095 PolarHBondContact O-NZ 3.19Å; G1091-K1095 WeakPolarHBondContact O-CG 3.46Å; G1091-K1095 PolarHBondContact O-N 2.86Å; A1092-K1095 WeakPolarHBondContact O-CB 3.48Å; A1092-K1095 PolarHBondContact O-N 3.44Å |
| 1096 | Q | 87 | Confident | 86.9 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 25% | 0.248 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -82 | -34.8 | -178.8 | -171.7 | -92.9 | 17.6 | 0 | 0 | 112 | C1053 T1054 L1055 A1092 A1093 H1094 Q1098 | C1053-Q1096 PolarHBondContact SG-NE2 3.12Å; T1054-Q1096 PolarHBondContact O-NE2 2.87Å; T1054-Q1096 VanDerWaalsContact O-NE2 3.16Å; L1055-Q1096 HydrophobicContact CD2-CB 3.67Å; L1055-Q1096 HydrophobicContact CD2-CG 3.77Å; A1092-Q1096 WeakPolarHBondContact O-CB 3.35Å; A1092-Q1096 PolarHBondContact O-N 3.01Å; A1093-Q1096 PolarHBondContact O-N 3.17Å; H1094-Q1096 VanDerWaalsContact C-N 3.34Å; Q1096-Q1098 VanDerWaalsContact C-N 3.31Å; Q1096-Q1098 PolarHBondContact O-N 3.05Å; Q1096-Q1098 VanDerWaalsContact OE1-CB 3.25Å |
| 1097 | G | 84.4 | Confident | 87.1 | Confident | 57 Ų | 57 | 52.7 Ų | 52.7 | 59% | 0.588 | 29% | 0.291 | S | S | * | . | trans | 75.6 | 3.3 | 161 | 0 | 0 | 0 | 0 | 0 | 117 | A1093 | A1093-G1097 PolarHBondContact O-N 3.13Š| ||
| 1098 | Q | 86.3 | Confident | 87.2 | Confident | 91 Ų | 91 | 50.9 Ų | 50.9 | 43% | 0.425 | 28% | 0.282 | S | S | . | . | trans | -88 | -32.3 | 175.4 | -56.8 | -175.7 | 11.4 | 0 | 0 | 112.8 | H1052 Q1096 R1138 | H1052-Q1098 PolarHBondContact O-OE1 3.15Å; H1052-Q1098 VanDerWaalsContact O-OE1 3.12Å; Q1096-Q1098 VanDerWaalsContact C-N 3.31Å; Q1096-Q1098 PolarHBondContact O-N 3.05Å; Q1096-Q1098 VanDerWaalsContact OE1-CB 3.25Å; Q1098-R1138 PolarHBondContact O-NH2 3.24Å | ||
| 1099 | L | 89.9 | Confident | 87.4 | Confident | 8 Ų | 8 | 50.8 Ų | 50.8 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | trans | -70 | 141.1 | 178.3 | -157.6 | 73.3 | 0 | 0 | 0 | 111.1 | F1064 V1084 I1087 A1093 L1134 L1136 | F1064-L1099 HydrophobicContact CB-CD2 3.54Å; F1064-L1099 HydrophobicContact CD1-CD2 3.82Å; F1064-L1099 HydrophobicContact CD2-CD2 3.72Å; F1064-L1099 HydrophobicContact CE1-CD2 4.43Å; F1064-L1099 HydrophobicContact CE2-CD2 4.35Å; F1064-L1099 HydrophobicContact CG-CD2 3.42Å; F1064-L1099 VanDerWaalsContact CG-CD2 3.42Å; V1084-L1099 HydrophobicContact CG1-CD2 3.98Å; V1084-L1099 HydrophobicContact CG1-CG 4.18Å; V1084-L1099 HydrophobicContact CG2-CD1 3.75Å; V1084-L1099 HydrophobicContact CG2-CD2 4.05Å; V1084-L1099 HydrophobicContact CG2-CG 3.94Å; I1087-L1099 VanDerWaalsContact CD1-C 3.43Å; I1087-L1099 HydrophobicContact CD1-CB 3.96Å; I1087-L1099 HydrophobicContact CD1-CD2 4.18Å; I1087-L1099 HydrophobicContact CD1-CG 4.05Å; I1087-L1099 WeakPolarHBondContact CD1-O 3.05Å; I1087-L1099 HydrophobicContact CG1-CD2 4.29Å; A1093-L1099 HydrophobicContact CB-CD2 3.86Å; L1099-L1134 HydrophobicContact CD1-CD1 4.28Å; L1099-L1136 HydrophobicContact CD1-CD1 3.47Å; L1099-L1136 VanDerWaalsContact CD1-CD1 3.47Å; L1099-L1136 HydrophobicContact CD1-CD2 3.78Å; L1099-L1136 HydrophobicContact CD1-CG 4.28Å | ||
| 1100 | R | 87.5 | Confident | 87.5 | Confident | 137 Ų | 137 | 45.6 Ų | 45.6 | 52% | 0.517 | 27% | 0.272 | S | S | . | . | trans | -129.9 | 156.1 | 171.6 | -67.3 | -176.9 | -168.9 | 176.6 | 4.2 | 110.9 | V1084 D1103 | V1084-R1100 WeakPolarHBondContact CB-O 3.27Å; V1084-R1100 WeakPolarHBondContact CG1-O 3.48Å; R1100-D1103 PolarHBondContact N-OD2 3.44Å; R1100-D1103 WeakPolarHBondContact O-CB 3.38Å; R1100-D1103 PolarHBondContact O-N 3.21Å | ||
| 1101 | V | 85.4 | Confident | 87.7 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 56% | 0.564 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 132.6 | 167.7 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | V1084 I1087 | V1084-V1101 CarbonylContact O-C 3.5Å; V1084-V1101 WeakPolarHBondContact O-CA 3.33Å; I1087-V1101 HydrophobicContact CG1-CG2 4.2Å |
| 1102 | G | 81.8 | Confident | 87.9 | Confident | 46 Ų | 46 | 51.1 Ų | 51.1 | 47% | 0.474 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92 | -3.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V1084 Q1104 | V1084-G1102 PolarHBondContact O-N 3Å; G1102-Q1104 PolarHBondContact O-N 3.21Å |
| 1103 | D | 90.9 | Very high | 88 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 2% | 0.016 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 127 | 169.4 | -69.6 | -15.1 | 0 | 0 | 0 | 109.7 | Y1083 V1084 R1100 L1136 R1138 | Y1083-D1103 CarbonylContact C-O 3.58Å; Y1083-D1103 WeakPolarHBondContact CA-O 3.46Å; V1084-D1103 HydrophobicContact CB-CB 4.48Å; V1084-D1103 HydrophobicContact CG2-CB 4.1Å; V1084-D1103 PolarHBondContact N-O 2.86Å; R1100-D1103 PolarHBondContact N-OD2 3.44Å; R1100-D1103 WeakPolarHBondContact O-CB 3.38Å; R1100-D1103 PolarHBondContact O-N 3.21Å; D1103-L1136 HydrophobicContact CB-CB 4.5Å; D1103-L1136 HydrophobicContact CB-CD2 4.49Å; D1103-R1138 VanDerWaalsContact CG-NH2 3.31Å; D1103-R1138 IonicContact OD1-CZ 3.73Å; D1103-R1138 IonicContact OD1-NE 3.9Å; D1103-R1138 PolarHBondContact OD1-NE 2.91Å; D1103-R1138 IonicContact OD1-NH2 2.74Å; D1103-R1138 PolarHBondContact OD1-NH2 2.95Å; D1103-R1138 IonicContact OD2-CZ 3.71Å; D1103-R1138 IonicContact OD2-NE 3.07Å; D1103-R1138 IonicContact OD2-NH2 3.33Å; D1103-R1138 PolarHBondContact OD2-NH2 3.18Å |
| 1104 | Q | 91.4 | Very high | 87.6 | Confident | 23 Ų | 23 | 57 Ų | 57 | 11% | 0.107 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 131.9 | 171.5 | -175.8 | -174.3 | 0.1 | 0 | 0 | 109 | A1081 Y1083 G1102 I1106 L1136 L1137 | A1081-Q1104 HydrophobicContact CB-CG 4Å; A1081-Q1104 VanDerWaalsContact CB-NE2 3.27Å; Y1083-Q1104 HydrophobicContact CD1-CB 3.69Å; Y1083-Q1104 HydrophobicContact CD1-CG 4.09Å; Y1083-Q1104 HydrophobicContact CE1-CB 3.74Å; Y1083-Q1104 HydrophobicContact CE1-CG 3.9Å; G1102-Q1104 PolarHBondContact O-N 3.21Å; Q1104-I1106 HydrophobicContact CG-CD1 4.06Å; Q1104-L1136 CarbonylContact O-C 3.56Å; Q1104-L1136 WeakPolarHBondContact O-CA 3.36Å; Q1104-L1137 HydrophobicContact CB-CB 4.26Å; Q1104-L1137 PolarHBondContact N-O 3.18Å; Q1104-L1137 PolarHBondContact O-N 2.89Å |
| 1105 | I | 92.3 | Very high | 87.2 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.005 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 121.5 | 177.3 | -51.6 | 178.6 | 0 | 0 | 0 | 108.4 | F1064 I1066 I1082 V1084 I1108 I1113 L1134 L1136 | F1064-I1105 HydrophobicContact CE2-CD1 3.95Å; I1066-I1105 HydrophobicContact CG2-CD1 3.52Å; I1082-I1105 PolarHBondContact O-N 3.27Å; V1084-I1105 HydrophobicContact CG2-CD1 4.12Å; V1084-I1105 HydrophobicContact CG2-CG1 4.11Å; I1105-I1108 HydrophobicContact CG2-CG1 3.97Å; I1105-I1113 HydrophobicContact CB-CD1 3.87Å; I1105-I1113 HydrophobicContact CG2-CD1 3.56Å; I1105-I1113 HydrophobicContact CG2-CG1 4.24Å; I1105-L1134 HydrophobicContact CG2-CD2 4.42Å; I1105-L1136 HydrophobicContact CB-CD2 4.33Å; I1105-L1136 HydrophobicContact CG1-CD2 3.8Å; I1105-L1136 HydrophobicContact CG2-CD2 4.42Å |
| 1106 | I | 91.2 | Very high | 87 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 10% | 0.103 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -43.3 | -177.9 | -56.7 | -58.3 | 0 | 0 | 0 | 110.7 | Q1104 I1113 R1114 E1135 L1137 | Q1104-I1106 HydrophobicContact CG-CD1 4.06Å; I1106-I1113 PolarHBondContact O-N 3.15Å; I1106-R1114 HydrophobicContact CD1-CG 4.12Å; I1106-R1114 HydrophobicContact CG2-CG 4.2Å; I1106-E1135 PolarHBondContact N-O 3.4Å; I1106-L1137 HydrophobicContact CD1-CB 3.82Å; I1106-L1137 HydrophobicContact CD1-CD2 4.28Å; I1106-L1137 HydrophobicContact CG1-CB 3.77Å |
| 1107 | S | 91.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 55.5 Ų | 55.5 | 4% | 0.042 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 150.6 | 175.7 | 84 | 0 | 0 | 0 | 0 | 112.8 | V1111 L1134 E1135 | S1107-V1111 CarbonylContact C-O 3.59Å; S1107-V1111 WeakPolarHBondContact CA-O 3.38Å; S1107-V1111 VanDerWaalsContact CB-O 3.27Å; S1107-V1111 WeakPolarHBondContact CB-O 3.39Å; S1107-L1134 WeakPolarHBondContact O-CA 3.47Å; S1107-E1135 WeakPolarHBondContact CB-OE2 3.34Å; S1107-E1135 PolarHBondContact N-O 2.75Å; S1107-E1135 PolarHBondContact O-N 3Å; S1107-E1135 WeakPolarHBondContact OG-CB 3.47Å; S1107-E1135 VanDerWaalsContact OG-CD 3.27Å; S1107-E1135 VanDerWaalsContact OG-CG 3.32Å; S1107-E1135 WeakPolarHBondContact OG-CG 3.19Å; S1107-E1135 PolarHBondContact OG-OE2 2.86Å |
| 1108 | I | 91.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 121.1 | 172 | -60 | 165.6 | 0 | 0 | 0 | 107.9 | I1105 G1110 V1111 I1113 A1121 L1124 L1125 V1132 D1133 L1134 | I1105-I1108 HydrophobicContact CG2-CG1 3.97Å; I1108-G1110 PolarHBondContact O-N 2.87Å; I1108-G1110 VanDerWaalsContact O-N 3.15Å; I1108-V1111 PolarHBondContact N-O 2.98Å; I1108-V1111 WeakPolarHBondContact O-CB 3.35Å; I1108-V1111 PolarHBondContact O-N 3.04Å; I1108-I1113 HydrophobicContact CD1-CD1 3.73Å; I1108-I1113 HydrophobicContact CD1-CG2 4.14Å; I1108-I1113 HydrophobicContact CG1-CD1 4.03Å; I1108-I1113 HydrophobicContact CG1-CG2 4.33Å; I1108-A1121 HydrophobicContact CD1-CB 4.16Å; I1108-L1124 HydrophobicContact CB-CB 4Å; I1108-L1124 HydrophobicContact CD1-CB 3.92Å; I1108-L1124 HydrophobicContact CG2-CB 3.83Å; I1108-L1125 HydrophobicContact CD1-CD2 3.74Å; I1108-L1125 HydrophobicContact CD1-CG 3.73Å; I1108-L1125 HydrophobicContact CG1-CD2 4.05Å; I1108-L1125 HydrophobicContact CG2-CD2 3.98Å; I1108-V1132 HydrophobicContact CG2-CG1 3.89Å; I1108-D1133 CarbonylContact C-O 3.59Å; I1108-L1134 HydrophobicContact CB-CD2 4.38Å; I1108-L1134 HydrophobicContact CG1-CD2 3.83Å; I1108-L1134 HydrophobicContact CG2-CD2 4.25Å |
| 1109 | N | 88.3 | Confident | 86.7 | Confident | 64 Ų | 64 | 55.4 Ų | 55.4 | 34% | 0.342 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 32.2 | -177.7 | -58.5 | -42.5 | 0 | 0 | 0 | 113.2 | V1111 S1128 V1132 D1133 | N1109-V1111 VanDerWaalsContact C-N 3.32Å; N1109-S1128 WeakPolarHBondContact ND2-CB 3.41Å; N1109-S1128 PolarHBondContact ND2-OG 3.1Å; N1109-S1128 VanDerWaalsContact ND2-OG 3.16Å; N1109-V1132 WeakPolarHBondContact OD1-CA 3.47Å; N1109-D1133 PolarHBondContact N-O 3.3Å; N1109-D1133 PolarHBondContact OD1-N 3.49Å |
| 1110 | G | 82.4 | Confident | 86.5 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 69% | 0.691 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.1 | 3.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1108 | I1108-G1110 PolarHBondContact O-N 2.87Å; I1108-G1110 VanDerWaalsContact O-N 3.15Å |
| 1111 | V | 85.1 | Confident | 86.6 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 118.8 | 168.7 | -176 | 0 | 0 | 0 | 0 | 108.5 | S1107 I1108 N1109 L1124 | S1107-V1111 CarbonylContact C-O 3.59Å; S1107-V1111 WeakPolarHBondContact CA-O 3.38Å; S1107-V1111 VanDerWaalsContact CB-O 3.27Å; S1107-V1111 WeakPolarHBondContact CB-O 3.39Å; I1108-V1111 PolarHBondContact N-O 2.98Å; I1108-V1111 WeakPolarHBondContact O-CB 3.35Å; I1108-V1111 PolarHBondContact O-N 3.04Å; N1109-V1111 VanDerWaalsContact C-N 3.32Å; V1111-L1124 HydrophobicContact CB-CD1 4.03Å; V1111-L1124 HydrophobicContact CB-CD2 4.08Å; V1111-L1124 HydrophobicContact CG1-CD1 3.77Å; V1111-L1124 HydrophobicContact CG1-CD2 4.2Å; V1111-L1124 HydrophobicContact CG2-CD2 3.95Å |
| 1112 | D | 87.9 | Confident | 86.7 | Confident | 85 Ų | 85 | 52.1 Ų | 52.1 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 131.3 | 173.2 | -174.6 | -4.5 | 0 | 0 | 0 | 110.3 | R1114 | D1112-R1114 WeakPolarHBondContact OD1-CG 3.43Å; D1112-R1114 IonicContact OD1-CZ 2.73Å; D1112-R1114 PolarHBondContact OD1-N 3.3Å; D1112-R1114 VanDerWaalsContact OD1-N 3.13Å; D1112-R1114 IonicContact OD1-NE 2.78Å; D1112-R1114 PolarHBondContact OD1-NE 3.18Å; D1112-R1114 IonicContact OD1-NH2 3.22Å; D1112-R1114 IonicContact OD2-CZ 3.18Å; D1112-R1114 IonicContact OD2-NE 2.72Å; D1112-R1114 PolarHBondContact OD2-NE 3.1Å; D1112-R1114 IonicContact OD2-NH2 3.76Å; D1112-R1114 PolarHBondContact OD2-NH2 2.76Å |
| 1113 | I | 89.3 | Confident | 86.8 | Confident | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | trans | -122.8 | 12 | -176.4 | 67.7 | 158.4 | 0 | 0 | 0 | 113.9 | I1082 I1105 I1106 I1108 N1115 A1116 A1121 L1124 | I1082-I1113 HydrophobicContact CB-CD1 4.15Å; I1082-I1113 HydrophobicContact CD1-CD1 4.25Å; I1082-I1113 HydrophobicContact CG2-CD1 4.28Å; I1105-I1113 HydrophobicContact CB-CD1 3.87Å; I1105-I1113 HydrophobicContact CG2-CD1 3.56Å; I1105-I1113 HydrophobicContact CG2-CG1 4.24Å; I1106-I1113 PolarHBondContact O-N 3.15Å; I1108-I1113 HydrophobicContact CD1-CD1 3.73Å; I1108-I1113 HydrophobicContact CD1-CG2 4.14Å; I1108-I1113 HydrophobicContact CG1-CD1 4.03Å; I1108-I1113 HydrophobicContact CG1-CG2 4.33Å; I1113-N1115 PolarHBondContact O-N 2.92Å; I1113-N1115 VanDerWaalsContact O-N 3.12Å; I1113-A1116 HydrophobicContact CB-CB 3.81Å; I1113-A1116 HydrophobicContact CG2-CB 4.36Å; I1113-A1116 WeakPolarHBondContact O-CB 3.24Å; I1113-A1116 PolarHBondContact O-N 3.18Å; I1113-A1121 HydrophobicContact CD1-CB 4.1Å; I1113-L1124 HydrophobicContact CG2-CD1 3.43Å; I1113-L1124 VanDerWaalsContact CG2-CD1 3.43Å | ||
| 1114 | R | 83 | Confident | 86.7 | Confident | 129 Ų | 129 | 54.9 Ų | 54.9 | 49% | 0.487 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -30.4 | -174.2 | -72.8 | 176.4 | -72.5 | 167.4 | 1.1 | 114.1 | I1106 D1112 | I1106-R1114 HydrophobicContact CD1-CG 4.12Å; I1106-R1114 HydrophobicContact CG2-CG 4.2Å; D1112-R1114 WeakPolarHBondContact OD1-CG 3.43Å; D1112-R1114 IonicContact OD1-CZ 2.73Å; D1112-R1114 PolarHBondContact OD1-N 3.3Å; D1112-R1114 VanDerWaalsContact OD1-N 3.13Å; D1112-R1114 IonicContact OD1-NE 2.78Å; D1112-R1114 PolarHBondContact OD1-NE 3.18Å; D1112-R1114 IonicContact OD1-NH2 3.22Å; D1112-R1114 IonicContact OD2-CZ 3.18Å; D1112-R1114 IonicContact OD2-NE 2.72Å; D1112-R1114 PolarHBondContact OD2-NE 3.1Å; D1112-R1114 IonicContact OD2-NH2 3.76Å; D1112-R1114 PolarHBondContact OD2-NH2 2.76Å |
| 1115 | N | 79.7 | Confident | 86.5 | Confident | 122 Ų | 122 | 54.7 Ų | 54.7 | 65% | 0.652 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 18.3 | 177.1 | -56.1 | 11.2 | 0 | 0 | 0 | 111.7 | Q1070 I1113 | Q1070-N1115 PolarHBondContact OE1-O 3.06Å; I1113-N1115 PolarHBondContact O-N 2.92Å; I1113-N1115 VanDerWaalsContact O-N 3.12Å |
| 1116 | A | 80.7 | Confident | 86 | Confident | 11 Ų | 11 | 58.3 Ų | 58.3 | 9% | 0.091 | 32% | 0.315 | C | S | . | . | trans | -77.9 | 149.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111 | G1069 Q1070 I1082 I1113 E1120 | G1069-A1116 WeakPolarHBondContact CA-O 3.48Å; Q1070-A1116 PolarHBondContact N-O 3.18Å; I1082-A1116 HydrophobicContact CD1-CB 4.32Å; I1113-A1116 HydrophobicContact CB-CB 3.81Å; I1113-A1116 HydrophobicContact CG2-CB 4.36Å; I1113-A1116 WeakPolarHBondContact O-CB 3.24Å; I1113-A1116 PolarHBondContact O-N 3.18Å; A1116-E1120 WeakPolarHBondContact CA-OE2 3.36Å; A1116-E1120 HydrophobicContact CB-CB 4.17Å | ||
| 1117 | R | 83.2 | Confident | 85.1 | Confident | 129 Ų | 129 | 59.8 Ų | 59.8 | 49% | 0.487 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -67.9 | 159.2 | 165.1 | -67.6 | 163.6 | 44.8 | 126 | -3.6 | 110.6 | Q1070 D1119 E1120 A1121 | Q1070-R1117 HydrophobicContact CB-CG 4.48Å; R1117-D1119 VanDerWaalsContact C-N 3.27Å; R1117-D1119 WeakPolarHBondContact CB-OD1 3.3Å; R1117-D1119 IonicContact CZ-OD1 2.77Å; R1117-D1119 IonicContact CZ-OD2 2.7Å; R1117-D1119 IonicContact NE-OD1 3.95Å; R1117-D1119 PolarHBondContact NE-OD1 2.83Å; R1117-D1119 IonicContact NE-OD2 3.56Å; R1117-D1119 IonicContact NH2-OD1 3.86Å; R1117-D1119 PolarHBondContact NH2-OD1 3.05Å; R1117-D1119 IonicContact NH2-OD2 2.68Å; R1117-D1119 PolarHBondContact NH2-OD2 2.81Å; R1117-D1119 PolarHBondContact O-N 3.03Å; R1117-E1120 HydrophobicContact CB-CB 4.5Å; R1117-E1120 HydrophobicContact CB-CG 4.13Å; R1117-E1120 PolarHBondContact N-OE2 3.35Å; R1117-E1120 PolarHBondContact O-N 2.94Å; R1117-A1121 PolarHBondContact O-N 2.86Å |
| 1118 | H | 84 | Confident | 83.7 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -55.8 | -40.6 | 178.1 | -166.4 | 83.4 | 0 | 0 | 0 | 112.9 | G1068 I1122 | G1068-H1118 PolarHBondContact O-ND1 3.27Å; H1118-I1122 WeakPolarHBondContact O-CG1 3.44Å; H1118-I1122 PolarHBondContact O-N 3.34Å; H1118-I1122 VanDerWaalsContact O-N 3.11Å |
| 1119 | D | 84 | Confident | 82.3 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 43% | 0.428 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73 | -30.9 | 179.6 | 59 | -26.6 | 0 | 0 | 0 | 113.5 | R1117 I1122 S1123 | R1117-D1119 VanDerWaalsContact C-N 3.27Å; R1117-D1119 WeakPolarHBondContact CB-OD1 3.3Å; R1117-D1119 IonicContact CZ-OD1 2.77Å; R1117-D1119 IonicContact CZ-OD2 2.7Å; R1117-D1119 IonicContact NE-OD1 3.95Å; R1117-D1119 PolarHBondContact NE-OD1 2.83Å; R1117-D1119 IonicContact NE-OD2 3.56Å; R1117-D1119 IonicContact NH2-OD1 3.86Å; R1117-D1119 PolarHBondContact NH2-OD1 3.05Å; R1117-D1119 IonicContact NH2-OD2 2.68Å; R1117-D1119 PolarHBondContact NH2-OD2 2.81Å; R1117-D1119 PolarHBondContact O-N 3.03Å; D1119-I1122 PolarHBondContact O-N 2.86Å; D1119-S1123 WeakPolarHBondContact O-CB 3.3Å; D1119-S1123 PolarHBondContact O-N 2.98Å |
| 1120 | E | 85.4 | Confident | 81.7 | Confident | 96 Ų | 96 | 69.5 Ų | 69.5 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.5 | -43.4 | 173.8 | -67.5 | 177.9 | 141.5 | 0 | 0 | 111.6 | A1116 R1117 S1123 L1124 | A1116-E1120 WeakPolarHBondContact CA-OE2 3.36Å; A1116-E1120 HydrophobicContact CB-CB 4.17Å; R1117-E1120 HydrophobicContact CB-CB 4.5Å; R1117-E1120 HydrophobicContact CB-CG 4.13Å; R1117-E1120 PolarHBondContact N-OE2 3.35Å; R1117-E1120 PolarHBondContact O-N 2.94Å; E1120-S1123 VanDerWaalsContact O-CB 3.31Å; E1120-S1123 WeakPolarHBondContact O-CB 3.39Å; E1120-S1123 PolarHBondContact O-N 2.92Å; E1120-S1123 VanDerWaalsContact O-N 3.16Å; E1120-L1124 WeakPolarHBondContact O-CG 3.32Å; E1120-L1124 PolarHBondContact O-N 3.27Å |
| 1121 | A | 89 | Confident | 81.7 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1066 I1082 I1108 I1113 R1117 S1123 L1124 L1125 | I1066-A1121 HydrophobicContact CD1-CB 3.95Å; I1082-A1121 HydrophobicContact CD1-CB 3.38Å; I1082-A1121 HydrophobicContact CG2-CB 4.43Å; I1108-A1121 HydrophobicContact CD1-CB 4.16Å; I1113-A1121 HydrophobicContact CD1-CB 4.1Å; R1117-A1121 PolarHBondContact O-N 2.86Å; A1121-S1123 VanDerWaalsContact C-N 3.31Å; A1121-S1123 PolarHBondContact O-N 2.88Å; A1121-L1124 PolarHBondContact O-N 3.17Å; A1121-L1125 WeakPolarHBondContact O-CG 3.3Å; A1121-L1125 PolarHBondContact O-N 2.88Å |
| 1122 | I | 87.8 | Confident | 81.9 | Confident | 73 Ų | 73 | 65.8 Ų | 65.8 | 37% | 0.374 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 170.5 | -69.8 | 173 | 0 | 0 | 0 | 110.4 | I1066 H1118 D1119 L1124 L1125 T1126 | I1066-I1122 HydrophobicContact CD1-CG1 4.15Å; H1118-I1122 WeakPolarHBondContact O-CG1 3.44Å; H1118-I1122 PolarHBondContact O-N 3.34Å; H1118-I1122 VanDerWaalsContact O-N 3.11Å; D1119-I1122 PolarHBondContact O-N 2.86Å; I1122-L1124 VanDerWaalsContact C-N 3.32Å; I1122-L1124 PolarHBondContact O-N 2.94Å; I1122-L1125 PolarHBondContact O-N 2.96Å; I1122-T1126 HydrophobicContact CG2-CG2 3.88Å; I1122-T1126 VanDerWaalsContact O-CB 3.26Å; I1122-T1126 WeakPolarHBondContact O-CB 3.35Å; I1122-T1126 VanDerWaalsContact O-CG2 3.22Å; I1122-T1126 WeakPolarHBondContact O-CG2 3.23Å; I1122-T1126 PolarHBondContact O-N 3.13Å; I1122-T1126 PolarHBondContact O-OG1 2.75Å |
| 1123 | S | 84.7 | Confident | 82 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 48% | 0.483 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.8 | -41.8 | 177 | -169.2 | 0 | 0 | 0 | 0 | 112 | D1119 E1120 A1121 T1126 S1127 | D1119-S1123 WeakPolarHBondContact O-CB 3.3Å; D1119-S1123 PolarHBondContact O-N 2.98Å; E1120-S1123 VanDerWaalsContact O-CB 3.31Å; E1120-S1123 WeakPolarHBondContact O-CB 3.39Å; E1120-S1123 PolarHBondContact O-N 2.92Å; E1120-S1123 VanDerWaalsContact O-N 3.16Å; A1121-S1123 VanDerWaalsContact C-N 3.31Å; A1121-S1123 PolarHBondContact O-N 2.88Å; S1123-T1126 WeakPolarHBondContact CA-OG1 3.22Å; S1123-T1126 PolarHBondContact O-N 2.81Å; S1123-T1126 PolarHBondContact O-OG1 2.99Å; S1123-S1127 WeakPolarHBondContact O-CB 3.49Å; S1123-S1127 PolarHBondContact O-N 3.41Å; S1123-S1127 PolarHBondContact O-OG 3.23Å |
| 1124 | L | 87.8 | Confident | 82.1 | Confident | 38 Ų | 38 | 64.4 Ų | 64.4 | 20% | 0.199 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.8 | -41.9 | 175.5 | -68.7 | 167.2 | 0 | 0 | 0 | 112.8 | I1108 V1111 I1113 E1120 A1121 I1122 T1126 S1127 S1128 | I1108-L1124 HydrophobicContact CB-CB 4Å; I1108-L1124 HydrophobicContact CD1-CB 3.92Å; I1108-L1124 HydrophobicContact CG2-CB 3.83Å; V1111-L1124 HydrophobicContact CB-CD1 4.03Å; V1111-L1124 HydrophobicContact CB-CD2 4.08Å; V1111-L1124 HydrophobicContact CG1-CD1 3.77Å; V1111-L1124 HydrophobicContact CG1-CD2 4.2Å; V1111-L1124 HydrophobicContact CG2-CD2 3.95Å; I1113-L1124 HydrophobicContact CG2-CD1 3.43Å; I1113-L1124 VanDerWaalsContact CG2-CD1 3.43Å; E1120-L1124 WeakPolarHBondContact O-CG 3.32Å; E1120-L1124 PolarHBondContact O-N 3.27Å; A1121-L1124 PolarHBondContact O-N 3.17Å; I1122-L1124 VanDerWaalsContact C-N 3.32Å; I1122-L1124 PolarHBondContact O-N 2.94Å; L1124-T1126 VanDerWaalsContact C-N 3.3Å; L1124-T1126 PolarHBondContact O-N 3.23Å; L1124-S1127 PolarHBondContact O-OG 3.12Å; L1124-S1128 PolarHBondContact O-OG 3.15Å |
| 1125 | L | 88.2 | Confident | 82.6 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.7 | -27.9 | 174.2 | -67.7 | 179.4 | 0 | 0 | 0 | 113.2 | R1057 L1062 F1064 I1066 I1108 A1121 I1122 V1132 L1134 | R1057-L1125 PolarHBondContact NH2-O 3.3Å; L1062-L1125 HydrophobicContact CD1-CB 4.34Å; L1062-L1125 HydrophobicContact CD1-CD2 4.24Å; F1064-L1125 HydrophobicContact CE2-CD1 4.21Å; F1064-L1125 HydrophobicContact CZ-CD1 3.97Å; F1064-L1125 HydrophobicContact CZ-CD2 3.88Å; I1066-L1125 HydrophobicContact CD1-CD1 4.14Å; I1066-L1125 HydrophobicContact CG2-CD1 4.19Å; I1108-L1125 HydrophobicContact CD1-CD2 3.74Å; I1108-L1125 HydrophobicContact CD1-CG 3.73Å; I1108-L1125 HydrophobicContact CG1-CD2 4.05Å; I1108-L1125 HydrophobicContact CG2-CD2 3.98Å; A1121-L1125 WeakPolarHBondContact O-CG 3.3Å; A1121-L1125 PolarHBondContact O-N 2.88Å; I1122-L1125 PolarHBondContact O-N 2.96Å; L1125-V1132 HydrophobicContact CD2-CG1 4.01Å; L1125-L1134 HydrophobicContact CD2-CD2 3.82Å |
| 1126 | T | 81.7 | Confident | 83.2 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 48% | 0.479 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -91.6 | -33.9 | -175.7 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | R1057 I1122 S1123 L1124 S1128 | R1057-T1126 PolarHBondContact NH2-O 2.83Å; I1122-T1126 HydrophobicContact CG2-CG2 3.88Å; I1122-T1126 VanDerWaalsContact O-CB 3.26Å; I1122-T1126 WeakPolarHBondContact O-CB 3.35Å; I1122-T1126 VanDerWaalsContact O-CG2 3.22Å; I1122-T1126 WeakPolarHBondContact O-CG2 3.23Å; I1122-T1126 PolarHBondContact O-N 3.13Å; I1122-T1126 PolarHBondContact O-OG1 2.75Å; S1123-T1126 WeakPolarHBondContact CA-OG1 3.22Å; S1123-T1126 PolarHBondContact O-N 2.81Å; S1123-T1126 PolarHBondContact O-OG1 2.99Å; L1124-T1126 VanDerWaalsContact C-N 3.3Å; L1124-T1126 PolarHBondContact O-N 3.23Å; T1126-S1128 PolarHBondContact O-N 3.42Å |
| 1127 | S | 70.9 | Confident | 83.5 | Confident | 51 Ų | 51 | 56.7 Ų | 56.7 | 36% | 0.357 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -70.2 | -24.5 | -175 | 55.4 | 0 | 0 | 0 | 0 | 115.9 | S1123 L1124 | S1123-S1127 WeakPolarHBondContact O-CB 3.49Å; S1123-S1127 PolarHBondContact O-N 3.41Å; S1123-S1127 PolarHBondContact O-OG 3.23Å; L1124-S1127 PolarHBondContact O-OG 3.12Å |
| 1128 | S | 63.6 | Low | 83.7 | Confident | 19 Ų | 19 | 51.5 Ų | 51.5 | 13% | 0.133 | 28% | 0.283 | C | S | . | . | trans | -83.2 | 121.8 | 179.4 | 33.6 | 0 | 0 | 0 | 0 | 112.5 | R1057 N1109 L1124 T1126 V1132 | R1057-S1128 PolarHBondContact NH1-O 2.66Å; R1057-S1128 PolarHBondContact NH2-O 3.15Å; N1109-S1128 WeakPolarHBondContact ND2-CB 3.41Å; N1109-S1128 PolarHBondContact ND2-OG 3.1Å; N1109-S1128 VanDerWaalsContact ND2-OG 3.16Å; L1124-S1128 PolarHBondContact O-OG 3.15Å; T1126-S1128 PolarHBondContact O-N 3.42Å; S1128-V1132 WeakPolarHBondContact OG-CG2 3.2Å | ||
| 1129 | N | 62.1 | Low | 83.2 | Confident | 126 Ų | 126 | 54.7 Ų | 54.7 | 67% | 0.674 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -83.3 | -24.8 | -163 | -79.8 | -40.8 | 0 | 0 | 0 | 117 | ||
| 1130 | D | 75.3 | Confident | 81.4 | Confident | 129 Ų | 129 | 56.8 Ų | 56.8 | 69% | 0.69 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -129.7 | -39.3 | -175.8 | -71.9 | -57.4 | 0 | 0 | 0 | 114.4 | R1057 | R1057-D1130 PolarHBondContact N-O 3.49Å; R1057-D1130 VanDerWaalsContact N-O 3.11Å |
| 1131 | S | 82.7 | Confident | 79 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 43% | 0.427 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 152.8 | -179.6 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | L1055 | L1055-S1131 CarbonylContact O-C 3.47Å; L1055-S1131 WeakPolarHBondContact O-CA 3.38Å |
| 1132 | V | 89.2 | Confident | 76.3 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 123.7 | 179 | -175.2 | 0 | 0 | 0 | 0 | 109.4 | T1054 L1055 L1062 I1108 N1109 L1125 S1128 L1134 | T1054-V1132 CarbonylContact C-O 3.56Å; T1054-V1132 WeakPolarHBondContact CA-O 3.5Å; L1055-V1132 PolarHBondContact N-O 2.8Å; L1055-V1132 PolarHBondContact O-N 3.07Å; L1062-V1132 HydrophobicContact CD1-CB 4.4Å; L1062-V1132 HydrophobicContact CD1-CG2 3.89Å; L1062-V1132 HydrophobicContact CD2-CB 4.16Å; L1062-V1132 HydrophobicContact CD2-CG2 3.78Å; L1062-V1132 HydrophobicContact CG-CG2 4.44Å; I1108-V1132 HydrophobicContact CG2-CG1 3.89Å; N1109-V1132 WeakPolarHBondContact OD1-CA 3.47Å; L1125-V1132 HydrophobicContact CD2-CG1 4.01Å; S1128-V1132 WeakPolarHBondContact OG-CG2 3.2Å; V1132-L1134 HydrophobicContact CG1-CD2 3.84Å; V1132-L1134 HydrophobicContact CG1-CG 4.35Å |
| 1133 | D | 89.4 | Confident | 73.6 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 31% | 0.305 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 129.9 | 173.3 | -66.8 | -43.3 | 0 | 0 | 0 | 109.7 | T1054 I1108 N1109 | T1054-D1133 WeakPolarHBondContact CB-OD1 3.39Å; T1054-D1133 WeakPolarHBondContact CG2-OD1 3.48Å; T1054-D1133 PolarHBondContact OG1-OD1 3.23Å; I1108-D1133 CarbonylContact C-O 3.59Å; N1109-D1133 PolarHBondContact N-O 3.3Å; N1109-D1133 PolarHBondContact OD1-N 3.49Å |
| 1134 | L | 92.4 | Very high | 70.9 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133 | 178.7 | -56 | 175.4 | 0 | 0 | 0 | 110.2 | H1052 C1053 L1055 F1064 L1099 I1105 S1107 I1108 L1125 V1132 L1136 | H1052-L1134 CarbonylContact C-O 3.27Å; H1052-L1134 WeakPolarHBondContact CA-O 3.43Å; C1053-L1134 HydrophobicContact CB-CB 4.28Å; C1053-L1134 PolarHBondContact N-O 3.4Å; C1053-L1134 PolarHBondContact O-N 2.92Å; L1055-L1134 HydrophobicContact CD1-CD1 3.79Å; L1055-L1134 HydrophobicContact CG-CD1 4.46Å; F1064-L1134 HydrophobicContact CE1-CD1 4.07Å; F1064-L1134 HydrophobicContact CE2-CD1 4.47Å; F1064-L1134 HydrophobicContact CZ-CD1 3.73Å; L1099-L1134 HydrophobicContact CD1-CD1 4.28Å; I1105-L1134 HydrophobicContact CG2-CD2 4.42Å; S1107-L1134 WeakPolarHBondContact O-CA 3.47Å; I1108-L1134 HydrophobicContact CB-CD2 4.38Å; I1108-L1134 HydrophobicContact CG1-CD2 3.83Å; I1108-L1134 HydrophobicContact CG2-CD2 4.25Å; L1125-L1134 HydrophobicContact CD2-CD2 3.82Å; V1132-L1134 HydrophobicContact CG1-CD2 3.84Å; V1132-L1134 HydrophobicContact CG1-CG 4.35Å; L1134-L1136 HydrophobicContact CB-CD2 4.04Å; L1134-L1136 HydrophobicContact CB-CG 4.29Å; L1134-L1136 HydrophobicContact CD1-CD2 4.49Å |
| 1135 | E | 91.9 | Very high | 68.2 | Low | 88 Ų | 88 | 75.7 Ų | 75.7 | 41% | 0.411 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.3 | 161.8 | -63.7 | 177.3 | 145.3 | 0 | 0 | 109 | I1106 S1107 | I1106-E1135 PolarHBondContact N-O 3.4Å; S1107-E1135 WeakPolarHBondContact CB-OE2 3.34Å; S1107-E1135 PolarHBondContact N-O 2.75Å; S1107-E1135 PolarHBondContact O-N 3Å; S1107-E1135 WeakPolarHBondContact OG-CB 3.47Å; S1107-E1135 VanDerWaalsContact OG-CD 3.27Å; S1107-E1135 VanDerWaalsContact OG-CG 3.32Å; S1107-E1135 WeakPolarHBondContact OG-CG 3.19Å; S1107-E1135 PolarHBondContact OG-OE2 2.86Å |
| 1136 | L | 92.4 | Very high | 65.4 | Low | 0 Ų | 0 | 83.1 Ų | 83.1 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.9 | -169.3 | -50.2 | 163.2 | 0 | 0 | 0 | 110 | F1050 I1051 C1053 L1099 D1103 Q1104 I1105 L1134 | F1050-L1136 WeakPolarHBondContact CA-O 3.3Å; I1051-L1136 HydrophobicContact CB-CB 4.22Å; I1051-L1136 HydrophobicContact CB-CD1 4.33Å; I1051-L1136 HydrophobicContact CG2-CD1 4.26Å; I1051-L1136 PolarHBondContact N-O 2.7Å; I1051-L1136 PolarHBondContact O-N 2.85Å; C1053-L1136 HydrophobicContact CB-CD1 3.67Å; C1053-L1136 HydrophobicContact CB-CG 4.47Å; L1099-L1136 HydrophobicContact CD1-CD1 3.47Å; L1099-L1136 VanDerWaalsContact CD1-CD1 3.47Å; L1099-L1136 HydrophobicContact CD1-CD2 3.78Å; L1099-L1136 HydrophobicContact CD1-CG 4.28Å; D1103-L1136 HydrophobicContact CB-CB 4.5Å; D1103-L1136 HydrophobicContact CB-CD2 4.49Å; Q1104-L1136 CarbonylContact O-C 3.56Å; Q1104-L1136 WeakPolarHBondContact O-CA 3.36Å; I1105-L1136 HydrophobicContact CB-CD2 4.33Å; I1105-L1136 HydrophobicContact CG1-CD2 3.8Å; I1105-L1136 HydrophobicContact CG2-CD2 4.42Å; L1134-L1136 HydrophobicContact CB-CD2 4.04Å; L1134-L1136 HydrophobicContact CB-CG 4.29Å; L1134-L1136 HydrophobicContact CD1-CD2 4.49Å |
| 1137 | L | 88.7 | Confident | 62.9 | Low | 13 Ų | 13 | 88 Ų | 88 | 7% | 0.068 | 47% | 0.471 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 119.8 | 170.3 | -167.1 | 67 | 0 | 0 | 0 | 109 | P1048 F1050 Q1104 I1106 Y1139 | P1048-L1137 HydrophobicContact CB-CD1 3.6Å; P1048-L1137 HydrophobicContact CB-CD2 4.39Å; P1048-L1137 HydrophobicContact CB-CG 3.86Å; P1048-L1137 HydrophobicContact CG-CD1 3.83Å; P1048-L1137 HydrophobicContact CG-CD2 4.44Å; P1048-L1137 HydrophobicContact CG-CG 4.32Å; F1050-L1137 HydrophobicContact CD1-CD1 3.96Å; F1050-L1137 HydrophobicContact CD2-CD1 3.74Å; F1050-L1137 HydrophobicContact CE1-CD1 3.79Å; F1050-L1137 HydrophobicContact CE2-CD1 3.54Å; F1050-L1137 HydrophobicContact CG-CD1 3.95Å; F1050-L1137 HydrophobicContact CZ-CD1 3.57Å; Q1104-L1137 HydrophobicContact CB-CB 4.26Å; Q1104-L1137 PolarHBondContact N-O 3.18Å; Q1104-L1137 PolarHBondContact O-N 2.89Å; I1106-L1137 HydrophobicContact CD1-CB 3.82Å; I1106-L1137 HydrophobicContact CD1-CD2 4.28Å; I1106-L1137 HydrophobicContact CG1-CB 3.77Å; L1137-Y1139 HydrophobicContact CD2-CE2 3.86Å; L1137-Y1139 WeakPolarHBondContact CD2-OH 3.29Å; L1137-Y1139 HydrophobicContact CG-CE2 4.12Å |
| 1138 | R | 86.2 | Confident | 60.9 | Low | 19 Ų | 19 | 88.5 Ų | 88.5 | 7% | 0.072 | 49% | 0.485 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 117.2 | 179.3 | 176.7 | 178.5 | -66.4 | 149.8 | 7.9 | 110.5 | P1048 E1049 I1051 Q1098 D1103 | P1048-R1138 WeakPolarHBondContact CA-O 3.49Å; E1049-R1138 HydrophobicContact CB-CB 4.34Å; E1049-R1138 PolarHBondContact N-O 3.17Å; E1049-R1138 PolarHBondContact O-N 2.67Å; E1049-R1138 IonicContact OE2-NH1 3.24Å; I1051-R1138 HydrophobicContact CD1-CB 3.88Å; Q1098-R1138 PolarHBondContact O-NH2 3.24Å; D1103-R1138 VanDerWaalsContact CG-NH2 3.31Å; D1103-R1138 IonicContact OD1-CZ 3.73Å; D1103-R1138 IonicContact OD1-NE 3.9Å; D1103-R1138 PolarHBondContact OD1-NE 2.91Å; D1103-R1138 IonicContact OD1-NH2 2.74Å; D1103-R1138 PolarHBondContact OD1-NH2 2.95Å; D1103-R1138 IonicContact OD2-CZ 3.71Å; D1103-R1138 IonicContact OD2-NE 3.07Å; D1103-R1138 IonicContact OD2-NH2 3.33Å; D1103-R1138 PolarHBondContact OD2-NH2 3.18Å |
| 1139 | Y | 73 | Confident | 59.3 | Low | 134 Ų | 134 | 92.9 Ų | 92.9 | 53% | 0.525 | 52% | 0.516 | S | S | . | . | trans | -84.6 | 136.5 | 164.3 | -61.6 | -88.2 | 0 | 0 | 0 | 109 | P1048 L1137 P1141 | P1048-Y1139 HydrophobicContact CB-CD1 3.82Å; P1048-Y1139 HydrophobicContact CB-CE1 3.67Å; P1048-Y1139 HydrophobicContact CB-CG 4.36Å; P1048-Y1139 HydrophobicContact CG-CE1 3.96Å; L1137-Y1139 HydrophobicContact CD2-CE2 3.86Å; L1137-Y1139 WeakPolarHBondContact CD2-OH 3.29Å; L1137-Y1139 HydrophobicContact CG-CE2 4.12Å; Y1139-P1141 WeakPolarHBondContact O-CD 3.16Å | ||
| 1140 | N | 47.1 | Very low | 57.8 | Low | 123 Ų | 123 | 94.1 Ų | 94.1 | 66% | 0.658 | 52% | 0.521 | S | S | * | . | trans | -85.2 | 105.9 | -170.4 | -145.3 | 10.1 | 0 | 0 | 0 | 110.2 | D1142 | N1140-D1142 PolarHBondContact O-N 2.94Š| ||
| 1141 | P | 34.7 | Very low | 55.7 | Low | 111 Ų | 111 | 92 Ų | 92 | 72% | 0.721 | 51% | 0.514 | S | S | * | . | trans | -98.1 | 75.8 | -170.3 | 34.3 | -20.9 | 0 | 0 | 0 | 109.7 | Y1139 | Y1139-P1141 WeakPolarHBondContact O-CD 3.16Š| ||
| 1142 | D | 32.7 | Very low | 53.1 | Low | 139 Ų | 139 | 98 Ų | 98 | 74% | 0.743 | 53% | 0.533 | S | S | * | . | trans | -147.8 | 38.3 | -172 | -118 | -21.7 | 0 | 0 | 0 | 114.4 | N1140 | N1140-D1142 PolarHBondContact O-N 2.94Š| ||
| 1143 | I | 30.4 | Very low | 50.3 | Low | 109 Ų | 109 | 104.1 Ų | 104.1 | 56% | 0.559 | 57% | 0.571 | S | S | * | * | trans | -138.4 | 82 | 157.7 | -53.9 | 86.1 | 0 | 0 | 0 | 110.7 | K1045 | K1045-I1143 HydrophobicContact CD-CD1 4.07Š| ||
| 1144 | N | 28.4 | Very low | 47.3 | Very low | 156 Ų | 156 | 106.5 Ų | 106.5 | 83% | 0.834 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -173.8 | 68.4 | 138.3 | -98.5 | -9.9 | 0 | 0 | 0 | 110.8 | ||
| 1145 | D | 31.8 | Very low | 44.2 | Very low | 159 Ų | 159 | 110.6 Ų | 110.6 | 85% | 0.85 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -176.9 | 76.2 | 143.8 | -103.1 | -16.2 | 0 | 0 | 0 | 111.2 | ||
| 1146 | N | 28.4 | Very low | 41.1 | Very low | 174 Ų | 174 | 110.5 Ų | 110.5 | 93% | 0.93 | 64% | 0.64 | S | S | * | * | trans | -172.6 | 94.5 | 154.1 | -102.7 | -55.4 | 0 | 0 | 0 | 112 | ||||
| 1147 | L | 30.6 | Very low | 38 | Very low | 179 Ų | 179 | 118.6 Ų | 118.6 | 94% | 0.937 | 68% | 0.683 | S | S | * | * | trans | -142.8 | 111.9 | 165.9 | -168.8 | 73.1 | 0 | 0 | 0 | 111.9 | ||||
| 1148 | G | 28.8 | Very low | 35.1 | Very low | 63 Ų | 63 | 120.8 Ų | 120.8 | 65% | 0.649 | 71% | 0.709 | S | S | * | * | trans | 72.1 | 101 | 161 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1149 | S | 29.1 | Very low | 32.4 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | 53.9 | 118.1 | 62.2 | 109.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1150 | L | 30 | Very low | 30.3 | Very low | 151 Ų | 151 | 129 Ų | 129 | 79% | 0.791 | 75% | 0.753 | S | S | * | * | cis | -171.8 | -174.3 | 41.3 | -128 | 73.3 | 0 | 0 | 0 | 107.4 | ||||
| 1151 | P | 31 | Very low | 29.5 | Very low | 84 Ų | 84 | 128.6 Ų | 128.6 | 55% | 0.545 | 76% | 0.755 | S | S | . | * | cis | -136.7 | 166.1 | -28.8 | 38.3 | -22.3 | 0 | 0 | 0 | 115.3 | ||||
| 1152 | K | 28.5 | Very low | 29.1 | Very low | 189 Ų | 189 | 128.3 Ų | 128.3 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | 63.1 | 139 | 148.6 | -66.9 | 155.9 | -167 | 174.5 | 0 | 117.2 | ||||
| 1153 | T | 30.1 | Very low | 28.9 | Very low | 128 Ų | 128 | 126.2 Ų | 126.2 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | cis | -167.2 | 131.4 | 17.1 | 12 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1154 | S | 27.2 | Very low | 28.6 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 76% | 0.761 | S | S | * | * | 98.3 | 120.9 | 95.9 | -178.2 | 0 | 0 | 0 | 0 | 117 | |||||
| 1155 | A | 27.6 | Very low | 28.6 | Very low | 87 Ų | 87 | 128.4 Ų | 128.4 | 72% | 0.719 | 76% | 0.763 | S | S | * | * | trans | 55.7 | 116 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1156 | A | 26.6 | Very low | 28.3 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | 68.3 | 100.9 | 61.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1157 | N | 27.6 | Very low | 28.1 | Very low | 169 Ų | 169 | 124.2 Ų | 124.2 | 90% | 0.904 | 75% | 0.749 | S | S | * | * | trans | 163 | 143.4 | 131.8 | -84.6 | -24.2 | 0 | 0 | 0 | 112.8 | ||||
| 1158 | G | 28.3 | Very low | 27.9 | Very low | 60 Ų | 60 | 125.5 Ų | 125.5 | 62% | 0.619 | 75% | 0.747 | S | S | * | * | trans | 127.8 | 93.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1159 | F | 28.5 | Very low | 27.6 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | 64.9 | 134.6 | 81.3 | -66.7 | -52.6 | 0 | 0 | 0 | 112.3 | |||||
| 1160 | I | 28.3 | Very low | 27.6 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 68% | 0.677 | 76% | 0.756 | S | S | * | * | cis | -165.7 | 154.4 | 20.3 | -130.8 | 161.1 | 0 | 0 | 0 | 111.5 | ||||
| 1161 | T | 30.9 | Very low | 27.5 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.693 | 76% | 0.755 | S | S | * | * | trans | 61.7 | 133.4 | 162.7 | 53.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1162 | S | 26.9 | Very low | 27.4 | Very low | 106 Ų | 106 | 136 Ų | 136 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | 67 | 137.9 | 53.5 | -51.8 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1163 | S | 27 | Very low | 27.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 76% | 0.763 | S | S | * | * | cis | -172.8 | 152.6 | -4.7 | -95.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1164 | I | 25.2 | Very low | 27.4 | Very low | 144 Ų | 144 | 135 Ų | 135 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 57.9 | 123.8 | 150 | -56.4 | 156.8 | 0 | 0 | 0 | 118.1 | ||||
| 1165 | L | 28.2 | Very low | 27.4 | Very low | 167 Ų | 167 | 137.4 Ų | 137.4 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | -169.5 | 143.2 | 117.1 | -102 | 172.3 | 0 | 0 | 0 | 114 | |||||
| 1166 | T | 24.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -90.8 | 147 | -172.7 | 26.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1167 | V | 24.6 | Very low | 27.8 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 78% | 0.782 | 79% | 0.786 | S | S | * | * | trans | 55.9 | 118.7 | 141.8 | -178.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1168 | K | 26.4 | Very low | 27.8 | Very low | 207 Ų | 207 | 144.2 Ų | 144.2 | 90% | 0.9 | 79% | 0.786 | S | S | * | * | -167.7 | 143.8 | 124.1 | -106.3 | 162.7 | -172.7 | 178.7 | 0 | 113.3 | |||||
| 1169 | R | 23.6 | Very low | 27.8 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | -82.9 | 141.4 | 170.7 | -67 | 177 | 174.6 | -175.5 | -3.3 | 110.4 | ||||
| 1170 | S | 29.1 | Very low | 27.8 | Very low | 118 Ų | 118 | 142 Ų | 142 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | -158.8 | 133.5 | 143.3 | 60.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1171 | N | 27.3 | Very low | 27.9 | Very low | 146 Ų | 146 | 142 Ų | 142 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | trans | -80.1 | 144.1 | 176.9 | -58.4 | -18 | 0 | 0 | 0 | 110.9 | ||||
| 1172 | N | 28.6 | Very low | 28.2 | Very low | 159 Ų | 159 | 140.9 Ų | 140.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | -165.9 | 149 | 104 | -132.8 | 18.7 | 0 | 0 | 0 | 111.3 | |||||
| 1173 | P | 31.3 | Very low | 28.5 | Very low | 106 Ų | 106 | 140 Ų | 140 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -107.7 | 160.6 | -170.2 | 39.9 | -33.3 | 0 | 0 | 0 | 114.4 | ||||
| 1174 | Q | 27.6 | Very low | 28.5 | Very low | 189 Ų | 189 | 143.2 Ų | 143.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -167.6 | 156.1 | 142.6 | -109.9 | 165 | 1.8 | 0 | 0 | 111.8 | ||||
| 1175 | D | 27.4 | Very low | 28.8 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | trans | 67.8 | 93.7 | 174.6 | -64.6 | -11.9 | 0 | 0 | 0 | 120.3 | ||||
| 1176 | T | 29 | Very low | 28.7 | Very low | 139 Ų | 139 | 141.2 Ų | 141.2 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | -136.7 | 135 | 155.8 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1177 | T | 33.4 | Very low | 28.8 | Very low | 140 Ų | 140 | 140.7 Ų | 140.7 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | trans | -109.5 | 108 | -178.4 | 37.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1178 | K | 27.2 | Very low | 28.9 | Very low | 205 Ų | 205 | 143.1 Ų | 143.1 | 89% | 0.891 | 77% | 0.773 | S | S | * | * | trans | 25.7 | 104.1 | 151.6 | -60.8 | -171.2 | 174.8 | -167.5 | 0 | 118.9 | ||||
| 1179 | A | 28.8 | Very low | 29 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | trans | -109.6 | 144.1 | 130 | 0 | 0 | 0 | 0 | 0 | 106.4 | D1181 | A1179-D1181 PolarHBondContact O-N 3.42Š| ||
| 1180 | T | 29 | Very low | 29 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | trans | -81.2 | 99.6 | -169.8 | 43.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1181 | D | 29.8 | Very low | 29 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | trans | -63.4 | 137 | 162.3 | -88.9 | -48.4 | 0 | 0 | 0 | 110.1 | A1179 T1183 | A1179-D1181 PolarHBondContact O-N 3.42Å; D1181-T1183 PolarHBondContact O-N 3.37Å; D1181-T1183 VanDerWaalsContact O-N 3.09Å | ||
| 1182 | L | 36.4 | Very low | 29 | Very low | 90 Ų | 90 | 141.1 Ų | 141.1 | 47% | 0.471 | 77% | 0.771 | S | S | . | * | S | Bend | trans | -84.7 | 54.4 | 172.9 | -77.6 | 170.9 | 0 | 0 | 0 | 111.4 | R1305 | L1182-R1305 HydrophobicContact CD2-CB 3.66Š|
| 1183 | T | 33.5 | Very low | 29.3 | Very low | 86 Ų | 86 | 137.1 Ų | 137.1 | 53% | 0.528 | 76% | 0.755 | S | S | . | * | trans | -144.7 | 67.8 | 172.7 | 58.1 | 0 | 0 | 0 | 0 | 111.3 | D1181 L1253 | D1181-T1183 PolarHBondContact O-N 3.37Å; D1181-T1183 VanDerWaalsContact O-N 3.09Å; T1183-L1253 HydrophobicContact CG2-CD1 4.47Å | ||
| 1184 | D | 27.5 | Very low | 30 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | -99.2 | 87.7 | 174.5 | -101.6 | -12.1 | 0 | 0 | 0 | 111.2 | ||||
| 1185 | T | 32.5 | Very low | 31.5 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 63% | 0.626 | 73% | 0.727 | S | S | * | * | trans | -143 | 108.3 | 150.5 | 49.2 | 0 | 0 | 0 | 0 | 109.4 | S1187 | T1185-S1187 PolarHBondContact O-N 2.98Š| ||
| 1186 | D | 25 | Very low | 33.6 | Very low | 167 Ų | 167 | 130.2 Ų | 130.2 | 89% | 0.893 | 71% | 0.71 | S | S | * | * | trans | -59.7 | 122.5 | 174.3 | -87.8 | -51.4 | 0 | 0 | 0 | 112 | ||||
| 1187 | S | 26.1 | Very low | 36 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | 175.4 | 135.3 | 123.8 | 43.1 | 0 | 0 | 0 | 0 | 113.8 | T1185 | T1185-S1187 PolarHBondContact O-N 2.98Š| |||
| 1188 | H | 26.9 | Very low | 38.5 | Very low | 180 Ų | 180 | 127.5 Ų | 127.5 | 83% | 0.833 | 68% | 0.678 | S | S | * | * | trans | 35.3 | 102.3 | 150.5 | -68.8 | -76.1 | 0 | 0 | 0 | 120.1 | ||||
| 1189 | I | 28.8 | Very low | 41.2 | Very low | 170 Ų | 170 | 120 Ų | 120 | 87% | 0.872 | 65% | 0.648 | S | S | * | * | 175.4 | 141.6 | 106.4 | -88.6 | 153.1 | 0 | 0 | 0 | 110.2 | |||||
| 1190 | S | 24.7 | Very low | 43.9 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 75% | 0.748 | 64% | 0.635 | S | S | * | * | trans | -91.5 | 126.9 | 176.5 | 58.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1191 | E | 28.2 | Very low | 46.1 | Very low | 192 Ų | 192 | 117.2 Ų | 117.2 | 90% | 0.897 | 62% | 0.618 | S | S | * | * | trans | -159.9 | 150 | 137.2 | -118.5 | 173.4 | -175.1 | 0 | 0 | 113.7 | C1193 | E1191-C1193 PolarHBondContact O-N 3.2Š| ||
| 1192 | K | 27.9 | Very low | 48.4 | Very low | 167 Ų | 167 | 112.9 Ų | 112.9 | 73% | 0.726 | 59% | 0.593 | S | S | * | * | trans | -81.6 | 115.2 | -177.1 | -71 | -178.2 | 171.3 | -168.9 | 0 | 110.5 | ||||
| 1193 | C | 34.4 | Very low | 50.3 | Low | 74 Ų | 74 | 115.5 Ų | 115.5 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | trans | -110.9 | 106.1 | 158.9 | -156.5 | 0 | 0 | 0 | 0 | 110 | E1191 S1195 R1213 | E1191-C1193 PolarHBondContact O-N 3.2Å; C1193-S1195 PolarHBondContact O-N 2.93Å; C1193-R1213 PolarHBondContact SG-NH1 3.08Å | ||
| 1194 | D | 46.2 | Very low | 52.4 | Low | 164 Ų | 164 | 114.7 Ų | 114.7 | 88% | 0.877 | 61% | 0.609 | S | S | * | * | trans | -84.7 | 67.4 | 179.9 | -146.9 | 1.7 | 0 | 0 | 0 | 108.6 | ||||
| 1195 | S | 59.1 | Low | 55 | Low | 16 Ų | 16 | 108.8 Ų | 108.8 | 11% | 0.112 | 58% | 0.577 | C | S | . | * | trans | -96.3 | 8.9 | -169.3 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | C1193 I1210 T1211 | C1193-S1195 PolarHBondContact O-N 2.93Å; S1195-I1210 WeakPolarHBondContact O-CA 3.15Å; S1195-T1211 PolarHBondContact O-N 3.12Å | ||
| 1196 | R | 70.7 | Confident | 57.5 | Low | 129 Ų | 129 | 106.3 Ų | 106.3 | 49% | 0.487 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108 | 128.1 | -178.8 | -50.8 | -171.5 | -162 | 156.7 | 14.8 | 110.7 | R1209 I1210 T1255 G1256 | R1196-R1209 CarbonylContact C-O 3.56Å; R1196-R1209 WeakPolarHBondContact CA-O 3.45Å; R1196-I1210 HydrophobicContact CG-CG1 4.36Å; R1196-T1255 PolarHBondContact NE-O 3.35Å; R1196-G1256 VanDerWaalsContact NH2-CA 3.34Å |
| 1197 | V | 80.2 | Confident | 60.6 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 50% | 0.503 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 113 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 109 | L1199 E1208 R1209 | V1197-L1199 HydrophobicContact CG1-CD2 4.4Å; V1197-L1199 PolarHBondContact O-N 3.1Å; V1197-E1208 CarbonylContact O-C 3.59Å; V1197-E1208 WeakPolarHBondContact O-CA 3.19Å; V1197-R1209 HydrophobicContact CB-CB 4.32Å; V1197-R1209 PolarHBondContact N-O 3.08Å; V1197-R1209 PolarHBondContact O-N 3.46Å |
| 1198 | Y | 86.6 | Confident | 63.7 | Low | 138 Ų | 138 | 95.3 Ų | 95.3 | 54% | 0.541 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 134.1 | 171.1 | 174.7 | -91.7 | 0 | 0 | 0 | 110.5 | Y1200 S1201 P1206 | Y1198-Y1200 WeakPolarHBondContact CE2-O 3.32Å; Y1198-Y1200 VanDerWaalsContact CZ-C 3.49Å; Y1198-Y1200 PolarHBondContact OH-O 3.31Å; Y1198-S1201 PolarHBondContact OH-N 2.86Å; Y1198-P1206 HydrophobicContact CD2-CB 4.29Å; Y1198-P1206 HydrophobicContact CE2-CB 3.98Å |
| 1199 | L | 82.4 | Confident | 66.9 | Low | 49 Ų | 49 | 90.7 Ų | 90.7 | 26% | 0.257 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | -59.8 | -179.4 | -58.2 | -177.1 | 0 | 0 | 0 | 112.2 | V1197 V1207 R1209 D1293 | V1197-L1199 HydrophobicContact CG1-CD2 4.4Å; V1197-L1199 PolarHBondContact O-N 3.1Å; L1199-V1207 HydrophobicContact CD1-CG1 4.2Å; L1199-V1207 PolarHBondContact N-O 2.86Å; L1199-R1209 HydrophobicContact CD1-CB 4.09Å; L1199-R1209 HydrophobicContact CD2-CB 4.02Å; L1199-R1209 HydrophobicContact CG-CB 4.14Å; L1199-D1293 HydrophobicContact CD1-CB 4.13Å; L1199-D1293 VanDerWaalsContact CD1-CG 3.46Å; L1199-D1293 WeakPolarHBondContact CD1-OD2 3.2Å |
| 1200 | Y | 85.5 | Confident | 69.9 | Low | 81 Ų | 81 | 82.6 Ų | 82.6 | 32% | 0.318 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | -177.1 | -177.3 | 53.4 | -84.4 | 0 | 0 | 0 | 109.3 | Y1198 E1202 V1207 R1272 | Y1198-Y1200 WeakPolarHBondContact CE2-O 3.32Å; Y1198-Y1200 VanDerWaalsContact CZ-C 3.49Å; Y1198-Y1200 PolarHBondContact OH-O 3.31Å; Y1200-E1202 HydrophobicContact CD2-CB 4.44Å; Y1200-E1202 HydrophobicContact CE2-CB 4.17Å; Y1200-V1207 HydrophobicContact CD2-CB 4.29Å; Y1200-V1207 HydrophobicContact CD2-CG2 4.07Å; Y1200-V1207 HydrophobicContact CE1-CB 4.35Å; Y1200-V1207 HydrophobicContact CE1-CG1 4.1Å; Y1200-V1207 HydrophobicContact CE2-CB 4.14Å; Y1200-V1207 HydrophobicContact CE2-CG1 4.42Å; Y1200-V1207 HydrophobicContact CE2-CG2 3.74Å; Y1200-V1207 HydrophobicContact CG-CB 4.48Å; Y1200-V1207 PolarHBondContact O-N 2.84Å; Y1200-R1272 PolarHBondContact OH-NH2 3.36Å |
| 1201 | S | 76.6 | Confident | 73 | Confident | 69 Ų | 69 | 79 Ų | 79 | 48% | 0.483 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 142.2 | 165.3 | 48 | 0 | 0 | 0 | 0 | 110.8 | Y1198 I1205 | Y1198-S1201 PolarHBondContact OH-N 2.86Å; S1201-I1205 CarbonylContact C-O 3.31Å; S1201-I1205 VanDerWaalsContact CA-O 3.25Å; S1201-I1205 WeakPolarHBondContact CA-O 3.09Å |
| 1202 | E | 77.1 | Confident | 75.8 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 19% | 0.187 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 125.2 | 177.2 | -172.8 | -175.8 | 117 | 0 | 0 | 107.7 | Y1200 G1204 I1205 V1207 R1272 R1295 | Y1200-E1202 HydrophobicContact CD2-CB 4.44Å; Y1200-E1202 HydrophobicContact CE2-CB 4.17Å; E1202-G1204 PolarHBondContact O-N 3.31Å; E1202-G1204 VanDerWaalsContact O-N 3.13Å; E1202-I1205 PolarHBondContact N-O 3.28Å; E1202-I1205 WeakPolarHBondContact O-CB 3.48Å; E1202-I1205 PolarHBondContact O-N 3.35Å; E1202-V1207 HydrophobicContact CB-CG2 4Å; E1202-R1272 IonicContact OE1-NE 2.68Å; E1202-R1272 IonicContact OE2-CZ 2.88Å; E1202-R1272 IonicContact OE2-NE 3.94Å; E1202-R1272 PolarHBondContact OE2-NE 2.83Å; E1202-R1272 IonicContact OE2-NH2 3.43Å; E1202-R1272 PolarHBondContact OE2-NH2 2.95Å; E1202-R1295 IonicContact OE1-CZ 2.61Å; E1202-R1295 IonicContact OE1-NH1 3.9Å; E1202-R1295 PolarHBondContact OE1-NH1 3.26Å |
| 1203 | K | 77.2 | Confident | 78.4 | Confident | 144 Ų | 144 | 67.6 Ų | 67.6 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 32.2 | -171.6 | -60.2 | -179.8 | 177 | 177.7 | 0 | 113.7 | I1205 E1238 | K1203-I1205 PolarHBondContact O-N 2.97Å; K1203-E1238 IonicContact NZ-OE1 3.18Å; K1203-E1238 PolarHBondContact NZ-OE1 2.43Å; K1203-E1238 IonicContact NZ-OE2 2.7Å; K1203-E1238 PolarHBondContact NZ-OE2 3.25Å |
| 1204 | G | 76.4 | Confident | 80.2 | Confident | 69 Ų | 69 | 66.6 Ų | 66.6 | 71% | 0.711 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | -16.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | E1202 | E1202-G1204 PolarHBondContact O-N 3.31Å; E1202-G1204 VanDerWaalsContact O-N 3.13Å |
| 1205 | I | 83.5 | Confident | 81.4 | Confident | 39 Ų | 39 | 66.1 Ų | 66.1 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 134 | -177.9 | -52.9 | 178 | 0 | 0 | 0 | 109.7 | S1201 E1202 K1203 R1295 R1296 | S1201-I1205 CarbonylContact C-O 3.31Å; S1201-I1205 VanDerWaalsContact CA-O 3.25Å; S1201-I1205 WeakPolarHBondContact CA-O 3.09Å; E1202-I1205 PolarHBondContact N-O 3.28Å; E1202-I1205 WeakPolarHBondContact O-CB 3.48Å; E1202-I1205 PolarHBondContact O-N 3.35Å; K1203-I1205 PolarHBondContact O-N 2.97Å; I1205-R1295 HydrophobicContact CB-CG 3.96Å; I1205-R1295 HydrophobicContact CG2-CG 3.74Å; I1205-R1296 VanDerWaalsContact CG2-C 3.42Å; I1205-R1296 HydrophobicContact CG2-CB 4.24Å; I1205-R1296 WeakPolarHBondContact CG2-O 3.25Å |
| 1206 | P | 83.8 | Confident | 81.6 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 137.7 | 179.5 | 28 | -34.4 | 0 | 0 | 0 | 112 | Y1198 R1296 | Y1198-P1206 HydrophobicContact CD2-CB 4.29Å; Y1198-P1206 HydrophobicContact CE2-CB 3.98Å; P1206-R1296 HydrophobicContact CG-CB 4.2Å; P1206-R1296 HydrophobicContact CG-CG 4.28Å; P1206-R1296 PolarHBondContact O-N 2.87Å; P1206-R1296 VanDerWaalsContact O-N 3.16Å |
| 1207 | V | 90.9 | Very high | 81.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 123.8 | 170.8 | -178.5 | 0 | 0 | 0 | 0 | 109.2 | L1199 Y1200 E1202 L1264 V1294 R1295 | L1199-V1207 HydrophobicContact CD1-CG1 4.2Å; L1199-V1207 PolarHBondContact N-O 2.86Å; Y1200-V1207 HydrophobicContact CD2-CB 4.29Å; Y1200-V1207 HydrophobicContact CD2-CG2 4.07Å; Y1200-V1207 HydrophobicContact CE1-CB 4.35Å; Y1200-V1207 HydrophobicContact CE1-CG1 4.1Å; Y1200-V1207 HydrophobicContact CE2-CB 4.14Å; Y1200-V1207 HydrophobicContact CE2-CG1 4.42Å; Y1200-V1207 HydrophobicContact CE2-CG2 3.74Å; Y1200-V1207 HydrophobicContact CG-CB 4.48Å; Y1200-V1207 PolarHBondContact O-N 2.84Å; E1202-V1207 HydrophobicContact CB-CG2 4Å; V1207-L1264 HydrophobicContact CB-CD1 4.48Å; V1207-L1264 HydrophobicContact CG1-CD1 3.86Å; V1207-L1264 HydrophobicContact CG2-CD1 3.71Å; V1207-V1294 CarbonylContact C-O 3.18Å; V1207-V1294 VanDerWaalsContact CA-O 3.32Å; V1207-V1294 WeakPolarHBondContact CA-O 3.34Å; V1207-R1295 HydrophobicContact CG2-CB 4.23Å; V1207-R1295 HydrophobicContact CG2-CG 4.01Å |
| 1208 | E | 91.1 | Very high | 81.2 | Confident | 40 Ų | 40 | 64.4 Ų | 64.4 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 135.9 | -179.2 | -63.1 | 178.5 | 163.7 | 0 | 0 | 110.3 | V1197 I1210 V1294 R1296 | V1197-E1208 CarbonylContact O-C 3.59Å; V1197-E1208 WeakPolarHBondContact O-CA 3.19Å; E1208-I1210 HydrophobicContact CB-CG1 4.47Å; E1208-V1294 PolarHBondContact N-O 2.99Å; E1208-V1294 PolarHBondContact O-N 3.32Å; E1208-R1296 IonicContact OE2-CZ 2.67Å; E1208-R1296 VanDerWaalsContact OE2-CZ 3.22Å; E1208-R1296 IonicContact OE2-NE 3.31Å; E1208-R1296 PolarHBondContact OE2-NE 3.45Å; E1208-R1296 IonicContact OE2-NH2 3.45Å; E1208-R1296 PolarHBondContact OE2-NH2 3.34Å |
| 1209 | R | 93.4 | Very high | 81 | Confident | 83 Ų | 83 | 59.4 Ų | 59.4 | 31% | 0.313 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.6 | 163.4 | -176.8 | 164.7 | -65.5 | 141.1 | 12.8 | 109.8 | R1196 V1197 L1199 L1292 D1293 | R1196-R1209 CarbonylContact C-O 3.56Å; R1196-R1209 WeakPolarHBondContact CA-O 3.45Å; V1197-R1209 HydrophobicContact CB-CB 4.32Å; V1197-R1209 PolarHBondContact N-O 3.08Å; V1197-R1209 PolarHBondContact O-N 3.46Å; L1199-R1209 HydrophobicContact CD1-CB 4.09Å; L1199-R1209 HydrophobicContact CD2-CB 4.02Å; L1199-R1209 HydrophobicContact CG-CB 4.14Å; R1209-L1292 CarbonylContact C-O 3.55Å; R1209-L1292 VanDerWaalsContact CA-O 3.27Å; R1209-L1292 WeakPolarHBondContact CA-O 3.18Å; R1209-D1293 IonicContact CZ-OD1 3.93Å; R1209-D1293 VanDerWaalsContact CZ-OD1 3.26Å; R1209-D1293 IonicContact CZ-OD2 3.62Å; R1209-D1293 IonicContact NE-OD1 2.87Å; R1209-D1293 PolarHBondContact NE-OD1 3.36Å; R1209-D1293 VanDerWaalsContact NH2-CG 3.34Å; R1209-D1293 IonicContact NH2-OD1 3.26Å; R1209-D1293 PolarHBondContact NH2-OD1 3.38Å; R1209-D1293 IonicContact NH2-OD2 3.88Å; R1209-D1293 PolarHBondContact NH2-OD2 3.02Å |
| 1210 | I | 92 | Very high | 81.1 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 123 | -179.2 | -61.3 | 168.9 | 0 | 0 | 0 | 108 | S1195 R1196 E1208 L1257 L1292 V1294 | S1195-I1210 WeakPolarHBondContact O-CA 3.15Å; R1196-I1210 HydrophobicContact CG-CG1 4.36Å; E1208-I1210 HydrophobicContact CB-CG1 4.47Å; I1210-L1257 HydrophobicContact CB-CD2 4.34Å; I1210-L1257 HydrophobicContact CD1-CD2 3.45Å; I1210-L1257 VanDerWaalsContact CD1-CD2 3.45Å; I1210-L1257 HydrophobicContact CD1-CG 4.2Å; I1210-L1257 HydrophobicContact CG1-CD2 4.48Å; I1210-L1257 HydrophobicContact CG2-CD2 4.21Å; I1210-L1257 HydrophobicContact CG2-CG 4.2Å; I1210-L1292 PolarHBondContact N-O 3.5Å; I1210-L1292 PolarHBondContact O-N 3.12Å; I1210-V1294 HydrophobicContact CD1-CB 4.23Å; I1210-V1294 HydrophobicContact CD1-CG2 4.22Å |
| 1211 | T | 89.6 | Confident | 81 | Confident | 30 Ų | 30 | 55.1 Ų | 55.1 | 18% | 0.184 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 118.7 | 175.5 | -55.6 | 0 | 0 | 0 | 0 | 110.7 | S1195 E1289 L1290 | S1195-T1211 PolarHBondContact O-N 3.12Å; T1211-E1289 HydrophobicContact CG2-CB 3.83Å; T1211-E1289 HydrophobicContact CG2-CG 4.3Å; T1211-L1290 WeakPolarHBondContact CA-O 3.39Å |
| 1212 | V | 87.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126.2 | 170.8 | -164 | 0 | 0 | 0 | 0 | 108.9 | L1219 A1251 A1252 T1255 L1257 E1289 L1290 L1292 | V1212-L1219 HydrophobicContact CB-CD1 4.14Å; V1212-L1219 HydrophobicContact CG1-CD1 3.61Å; V1212-A1251 HydrophobicContact CG1-CB 3.78Å; V1212-A1252 HydrophobicContact CG1-CB 4.37Å; V1212-T1255 HydrophobicContact CB-CG2 4.2Å; V1212-T1255 HydrophobicContact CG1-CG2 3.98Å; V1212-T1255 HydrophobicContact CG2-CG2 4.09Å; V1212-L1257 HydrophobicContact CG2-CD1 4.18Å; V1212-E1289 CarbonylContact O-C 3.56Å; V1212-E1289 WeakPolarHBondContact O-CA 3.06Å; V1212-L1290 HydrophobicContact CB-CB 4.29Å; V1212-L1290 PolarHBondContact N-O 2.99Å; V1212-L1290 PolarHBondContact O-N 3.46Å; V1212-L1292 HydrophobicContact CG2-CD1 3.73Å; V1212-L1292 HydrophobicContact CG2-CG 4.22Å |
| 1213 | R | 83 | Confident | 81.9 | Confident | 120 Ų | 120 | 52.8 Ų | 52.8 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 120.2 | 175.3 | -68.5 | -161.1 | 166.4 | 91.9 | 16.9 | 110.3 | C1193 A1251 E1289 | C1193-R1213 PolarHBondContact SG-NH1 3.08Å; R1213-A1251 VanDerWaalsContact O-CB 3.24Å; R1213-A1251 WeakPolarHBondContact O-CB 3.24Å; R1213-E1289 HydrophobicContact CG-CG 4.25Å; R1213-E1289 IonicContact CZ-OE1 3.57Å; R1213-E1289 IonicContact NE-OE1 3.1Å; R1213-E1289 PolarHBondContact NE-OE1 2.93Å; R1213-E1289 IonicContact NH2-OE1 2.87Å; R1213-E1289 PolarHBondContact NH2-OE1 2.94Å |
| 1214 | N | 72.5 | Confident | 82.2 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 28% | 0.283 | 29% | 0.292 | S | S | . | . | trans | -100.1 | 98.4 | 174 | -171.6 | -8.1 | 0 | 0 | 0 | 109.9 | G1216 G1217 K1288 | N1214-G1216 PolarHBondContact O-N 2.93Å; N1214-G1216 WeakPolarHBondContact OD1-CA 3.5Å; N1214-G1216 PolarHBondContact OD1-N 2.75Å; N1214-G1217 PolarHBondContact OD1-N 2.85Å; N1214-G1217 PolarHBondContact OD1-O 3.26Å; N1214-G1217 VanDerWaalsContact OD1-O 3.06Å; N1214-K1288 PolarHBondContact N-O 3.17Å | ||
| 1215 | D | 70.1 | Confident | 82.5 | Confident | 154 Ų | 154 | 43.5 Ų | 43.5 | 82% | 0.824 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -85.1 | 19.7 | 176.9 | -66.8 | -38.3 | 0 | 0 | 0 | 113.1 | ||
| 1216 | G | 63.7 | Low | 82.5 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 75% | 0.753 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 101.4 | 11.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.2 | N1214 | N1214-G1216 PolarHBondContact O-N 2.93Å; N1214-G1216 WeakPolarHBondContact OD1-CA 3.5Å; N1214-G1216 PolarHBondContact OD1-N 2.75Å |
| 1217 | G | 67 | Low | 82.4 | Confident | 41 Ų | 41 | 43 Ų | 43 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -102.4 | -178.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | N1214 | N1214-G1217 PolarHBondContact OD1-N 2.85Å; N1214-G1217 PolarHBondContact OD1-O 3.26Å; N1214-G1217 VanDerWaalsContact OD1-O 3.06Å |
| 1218 | P | 75.1 | Confident | 81.9 | Confident | 79 Ų | 79 | 47 Ų | 47 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | trans | -64.3 | 144.9 | 171.7 | 28.3 | -33.8 | 0 | 0 | 0 | 110.9 | G1220 G1250 A1251 | P1218-G1220 PolarHBondContact O-N 3.45Å; P1218-G1250 VanDerWaalsContact O-CA 3.25Å; P1218-G1250 WeakPolarHBondContact O-CA 3.5Å; P1218-A1251 PolarHBondContact O-N 2.8Å | ||
| 1219 | L | 83 | Confident | 80.9 | Confident | 32 Ų | 32 | 48.9 Ų | 48.9 | 17% | 0.168 | 29% | 0.292 | C | S | . | . | trans | -62.6 | -29.7 | 177.5 | -172.7 | 64.7 | 0 | 0 | 0 | 112 | V1212 L1221 A1251 A1252 L1283 L1290 | V1212-L1219 HydrophobicContact CB-CD1 4.14Å; V1212-L1219 HydrophobicContact CG1-CD1 3.61Å; L1219-L1221 HydrophobicContact CD2-CB 4.35Å; L1219-L1221 HydrophobicContact CD2-CD1 3.99Å; L1219-L1221 HydrophobicContact CD2-CG 4.44Å; L1219-L1221 HydrophobicContact CG-CB 4.43Å; L1219-L1221 HydrophobicContact CG-CD1 4.12Å; L1219-L1221 HydrophobicContact CG-CG 4.25Å; L1219-A1251 PolarHBondContact O-N 2.96Å; L1219-A1252 WeakPolarHBondContact O-CB 3.33Å; L1219-A1252 PolarHBondContact O-N 3.41Å; L1219-L1283 HydrophobicContact CD2-CB 4.35Å; L1219-L1283 HydrophobicContact CD2-CD2 4.37Å; L1219-L1290 HydrophobicContact CD1-CD2 3.8Å; L1219-L1290 HydrophobicContact CD2-CD2 3.64Å; L1219-L1290 HydrophobicContact CG-CD2 4.39Å | ||
| 1220 | G | 83.6 | Confident | 79.9 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 7% | 0.072 | 29% | 0.294 | C | S | . | . | trans | 74.5 | 23.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | P1218 I1246 S1247 | P1218-G1220 PolarHBondContact O-N 3.45Å; G1220-I1246 CarbonylContact O-C 3.56Å; G1220-I1246 VanDerWaalsContact O-CA 3.3Å; G1220-I1246 WeakPolarHBondContact O-CA 3.48Å; G1220-S1247 PolarHBondContact O-N 2.97Å | ||
| 1221 | L | 83.7 | Confident | 79.2 | Confident | 34 Ų | 34 | 47.8 Ų | 47.8 | 18% | 0.178 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 133.3 | 175 | -66.5 | 175.9 | 0 | 0 | 0 | 109.8 | L1219 I1243 I1246 A1252 L1257 L1292 | L1219-L1221 HydrophobicContact CD2-CB 4.35Å; L1219-L1221 HydrophobicContact CD2-CD1 3.99Å; L1219-L1221 HydrophobicContact CD2-CG 4.44Å; L1219-L1221 HydrophobicContact CG-CB 4.43Å; L1219-L1221 HydrophobicContact CG-CD1 4.12Å; L1219-L1221 HydrophobicContact CG-CG 4.25Å; L1221-I1243 HydrophobicContact CD2-CD1 4.11Å; L1221-I1243 HydrophobicContact CD2-CG2 3.99Å; L1221-I1246 HydrophobicContact CD2-CG1 4Å; L1221-A1252 HydrophobicContact CD1-CB 4Å; L1221-A1252 HydrophobicContact CD2-CB 3.43Å; L1221-A1252 VanDerWaalsContact CD2-CB 3.43Å; L1221-A1252 HydrophobicContact CG-CB 3.43Å; L1221-A1252 VanDerWaalsContact CG-CB 3.43Å; L1221-L1257 HydrophobicContact CD1-CD1 3.76Å; L1221-L1257 HydrophobicContact CD2-CD1 3.87Å; L1221-L1257 HydrophobicContact CG-CD1 4.37Å; L1221-L1292 HydrophobicContact CD1-CD1 4Å |
| 1222 | A | 84.4 | Confident | 78.6 | Confident | 39 Ų | 39 | 48.8 Ų | 48.8 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 147.2 | 154.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | S1244 K1245 | A1222-S1244 WeakPolarHBondContact CB-OG 3.25Å; A1222-S1244 PolarHBondContact O-N 3.48Å; A1222-S1244 PolarHBondContact O-OG 3.37Å; A1222-K1245 HydrophobicContact CB-CB 3.81Å; A1222-K1245 PolarHBondContact N-O 3.49Å; A1222-K1245 PolarHBondContact O-N 3.23Å |
| 1223 | I | 88.2 | Confident | 78.2 | Confident | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.108 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 164.2 | 173.1 | 53.4 | 161.8 | 0 | 0 | 0 | 110.7 | I1241 F1242 S1244 A1279 V1280 L1283 | I1223-I1241 HydrophobicContact CB-CG2 3.9Å; I1223-I1241 HydrophobicContact CD1-CG2 3.69Å; I1223-I1241 HydrophobicContact CG1-CG2 4.41Å; I1223-I1241 HydrophobicContact CG2-CG2 3.86Å; I1223-F1242 CarbonylContact C-O 3.37Å; I1223-F1242 WeakPolarHBondContact CA-O 3.39Å; I1223-S1244 VanDerWaalsContact C-OG 3.32Å; I1223-S1244 PolarHBondContact N-OG 3.32Å; I1223-S1244 PolarHBondContact O-OG 3.08Å; I1223-A1279 HydrophobicContact CD1-CB 3.69Å; I1223-V1280 HydrophobicContact CD1-CG2 3.97Å; I1223-V1280 HydrophobicContact CG1-CG2 4.4Å; I1223-L1283 HydrophobicContact CD1-CD1 3.77Å; I1223-L1283 HydrophobicContact CG1-CD1 4.12Å; I1223-L1283 HydrophobicContact CG2-CD1 3.73Å |
| 1224 | C | 82.8 | Confident | 78.2 | Confident | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.115 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 164.8 | 170.7 | 62.6 | 0 | 0 | 0 | 0 | 109.6 | F1234 F1242 | C1224-F1234 WeakPolarHBondContact SG-CD2 3.46Å; C1224-F1242 PolarHBondContact N-O 3Å; C1224-F1242 PolarHBondContact O-N 3.27Å |
| 1225 | G | 82.9 | Confident | 78.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 28% | 0.277 | C | S | . | . | trans | 76.3 | 172.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | I1229 G1240 I1241 H1276 | G1225-I1229 CarbonylContact C-O 3.55Å; G1225-I1229 WeakPolarHBondContact CA-O 3.23Å; G1225-G1240 CarbonylContact C-O 3.03Å; G1225-G1240 WeakPolarHBondContact CA-O 3.39Å; G1225-I1241 VanDerWaalsContact O-CD1 3.29Å; G1225-I1241 WeakPolarHBondContact O-CD1 3.28Å; G1225-H1276 PolarHBondContact O-ND1 3.15Å | ||
| 1226 | G | 84 | Confident | 78.4 | Confident | 4 Ų | 4 | 38.7 Ų | 38.7 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | trans | 173.5 | -172.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | I1229 G1240 A1274 | G1226-I1229 PolarHBondContact N-O 3.34Å; G1226-I1229 VanDerWaalsContact N-O 3.1Å; G1226-G1240 PolarHBondContact N-O 3.29Å; G1226-A1274 CarbonylContact C-O 3.58Å; G1226-A1274 WeakPolarHBondContact CA-O 3.47Å | ||
| 1227 | S | 81.1 | Confident | 78.5 | Confident | 75 Ų | 75 | 43.4 Ų | 43.4 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | S | Bend | trans | -77.5 | -7 | 162.8 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | A1274 T1275 | S1227-A1274 PolarHBondContact N-O 3.38Å; S1227-T1275 WeakPolarHBondContact OG-CA 3.21Å; S1227-T1275 WeakPolarHBondContact OG-CG2 3.44Å; S1227-T1275 PolarHBondContact OG-N 2.93Å |
| 1228 | D | 80.5 | Confident | 78.9 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 46% | 0.455 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -126.4 | -13.4 | -171 | 60.5 | -28.9 | 0 | 0 | 0 | 113.8 | T1275 H1276 | D1228-T1275 HydrophobicContact CB-CG2 4.2Å; D1228-T1275 VanDerWaalsContact OD1-CA 3.27Å; D1228-T1275 WeakPolarHBondContact OD1-CA 3.41Å; D1228-T1275 WeakPolarHBondContact OD2-CB 3.34Å; D1228-H1276 PolarHBondContact OD1-N 2.89Å |
| 1229 | I | 70.6 | Confident | 79.1 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 41% | 0.41 | 25% | 0.253 | S | S | . | . | S | Bend | trans | -128.8 | 137.3 | 179.8 | -58.9 | -168.4 | 0 | 0 | 0 | 109.5 | G1225 G1226 C1231 H1276 | G1225-I1229 CarbonylContact C-O 3.55Å; G1225-I1229 WeakPolarHBondContact CA-O 3.23Å; G1226-I1229 PolarHBondContact N-O 3.34Å; G1226-I1229 VanDerWaalsContact N-O 3.1Å; I1229-C1231 PolarHBondContact O-N 2.73Å; I1229-H1276 HydrophobicContact CB-CB 4.28Å; I1229-H1276 HydrophobicContact CD1-CB 3.54Å; I1229-H1276 HydrophobicContact CG1-CB 3.88Å |
| 1230 | S | 71.7 | Confident | 79.3 | Confident | 49 Ų | 49 | 43.2 Ų | 43.2 | 34% | 0.343 | 25% | 0.247 | S | C | . | . | trans | -55.6 | 133.5 | 176.3 | -174.8 | 0 | 0 | 0 | 0 | 111.8 | L1232 | S1230-L1232 PolarHBondContact OG-N 3.22Š| ||
| 1231 | C | 77.3 | Confident | 79.7 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 7% | 0.068 | 24% | 0.243 | C | C | . | . | trans | -95.2 | -0.1 | 174 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | I1229 F1234 F1242 | I1229-C1231 PolarHBondContact O-N 2.73Å; C1231-F1234 WeakPolarHBondContact O-CA 3.15Å; C1231-F1234 VanDerWaalsContact O-CB 3.31Å; C1231-F1234 WeakPolarHBondContact O-CB 3.36Å; C1231-F1234 PolarHBondContact O-N 3.45Å; C1231-F1234 PolarHBondContact SG-O 2.86Å; C1231-F1234 VanDerWaalsContact SG-O 3.42Å; C1231-F1242 HydrophobicContact CB-CD2 3.67Å; C1231-F1242 HydrophobicContact CB-CE2 3.47Å; C1231-F1242 VanDerWaalsContact CB-CE2 3.47Å | ||
| 1232 | L | 77.2 | Confident | 80.1 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 27% | 0.272 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 140.4 | -178.6 | -63.1 | 177.4 | 0 | 0 | 0 | 110.8 | S1230 D1345 | S1230-L1232 PolarHBondContact OG-N 3.22Å; L1232-D1345 HydrophobicContact CD1-CB 4.24Å |
| 1233 | P | 79.2 | Confident | 80.3 | Confident | 20 Ų | 20 | 39.4 Ų | 39.4 | 13% | 0.13 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -86.7 | 6.8 | 5.2 | 39.2 | -42.1 | 0 | 0 | 0 | 114.8 | P1300 L1372 | P1233-P1300 HydrophobicContact CB-CB 3.8Å; P1233-P1300 HydrophobicContact CG-CB 3.72Å; P1233-P1300 HydrophobicContact CG-CG 3.92Å; P1233-L1372 HydrophobicContact CG-CD1 4.27Å; P1233-L1372 HydrophobicContact CG-CD2 3.93Å |
| 1234 | F | 84.2 | Confident | 79.8 | Confident | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | -78.7 | 157.5 | -176.9 | -55.1 | -82.6 | 0 | 0 | 0 | 112.4 | C1224 C1231 N1236 F1242 I1259 G1260 P1300 W1378 | C1224-F1234 WeakPolarHBondContact SG-CD2 3.46Å; C1231-F1234 WeakPolarHBondContact O-CA 3.15Å; C1231-F1234 VanDerWaalsContact O-CB 3.31Å; C1231-F1234 WeakPolarHBondContact O-CB 3.36Å; C1231-F1234 PolarHBondContact O-N 3.45Å; C1231-F1234 PolarHBondContact SG-O 2.86Å; C1231-F1234 VanDerWaalsContact SG-O 3.42Å; F1234-N1236 PolarHBondContact O-N 3.2Å; F1234-F1242 HydrophobicContact CB-CB 3.98Å; F1234-F1242 HydrophobicContact CB-CD1 3.76Å; F1234-F1242 HydrophobicContact CB-CD2 3.96Å; F1234-F1242 HydrophobicContact CB-CE1 4.18Å; F1234-F1242 HydrophobicContact CB-CE2 4.38Å; F1234-F1242 HydrophobicContact CB-CG 3.62Å; F1234-F1242 HydrophobicContact CB-CZ 4.46Å; F1234-F1242 HydrophobicContact CD2-CB 4.47Å; F1234-F1242 HydrophobicContact CG-CB 4.13Å; F1234-F1242 HydrophobicContact CG-CG 4.31Å; F1234-I1259 HydrophobicContact CE1-CG2 3.9Å; F1234-I1259 HydrophobicContact CZ-CG2 3.93Å; F1234-G1260 VanDerWaalsContact CD1-CA 3.49Å; F1234-P1300 HydrophobicContact CD1-CG 4.08Å; F1234-P1300 HydrophobicContact CE1-CG 3.85Å; F1234-P1300 HydrophobicContact CZ-CG 4.47Å; F1234-W1378 HydrophobicContact CE2-CZ2 4.22Å; F1234-W1378 HydrophobicContact CZ-CH2 4.47Å; F1234-W1378 HydrophobicContact CZ-CZ2 4.31Å |
| 1235 | G | 76.3 | Confident | 79.6 | Confident | 8 Ų | 8 | 40.8 Ų | 40.8 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | 84.2 | 2.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | K1237 E1238 F1242 | G1235-K1237 VanDerWaalsContact C-N 3.31Å; G1235-K1237 PolarHBondContact O-N 2.82Å; G1235-E1238 WeakPolarHBondContact O-CB 3.41Å; G1235-E1238 PolarHBondContact O-N 2.82Å; G1235-F1242 VanDerWaalsContact CA-CE1 3.5Å |
| 1236 | N | 69.2 | Low | 79.6 | Confident | 84 Ų | 84 | 42.5 Ų | 42.5 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | 49.9 | 48.2 | -177 | -68 | -12.8 | 0 | 0 | 0 | 112.7 | F1234 E1238 | F1234-N1236 PolarHBondContact O-N 3.2Å; N1236-E1238 PolarHBondContact O-N 3.15Å |
| 1237 | K | 66.9 | Low | 79.3 | Confident | 173 Ų | 173 | 43.9 Ų | 43.9 | 75% | 0.752 | 24% | 0.241 | S | C | * | . | G | 310 helix | trans | 67.1 | -2.3 | -174 | -48.5 | -177.3 | -179 | -175.5 | 0 | 116 | G1235 P1239 | G1235-K1237 VanDerWaalsContact C-N 3.31Å; G1235-K1237 PolarHBondContact O-N 2.82Å; K1237-P1239 WeakPolarHBondContact O-CD 3.46Å |
| 1238 | E | 76 | Confident | 78.9 | Confident | 64 Ų | 64 | 45.6 Ų | 45.6 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | trans | -78.6 | 112.9 | 170 | -69.8 | -175.6 | -172.3 | 0 | 0 | 111 | K1203 G1235 N1236 R1262 R1295 | K1203-E1238 IonicContact NZ-OE1 3.18Å; K1203-E1238 PolarHBondContact NZ-OE1 2.43Å; K1203-E1238 IonicContact NZ-OE2 2.7Å; K1203-E1238 PolarHBondContact NZ-OE2 3.25Å; G1235-E1238 WeakPolarHBondContact O-CB 3.41Å; G1235-E1238 PolarHBondContact O-N 2.82Å; N1236-E1238 PolarHBondContact O-N 3.15Å; E1238-R1262 VanDerWaalsContact CB-NH2 3.3Å; E1238-R1262 PolarHBondContact O-NH1 3.46Å; E1238-R1262 PolarHBondContact O-NH2 3.1Å; E1238-R1262 VanDerWaalsContact O-NH2 3.17Å; E1238-R1262 IonicContact OE2-NH2 3.78Å; E1238-R1295 IonicContact OE2-CZ 3.48Å; E1238-R1295 IonicContact OE2-NH1 3.69Å; E1238-R1295 IonicContact OE2-NH2 2.95Å; E1238-R1295 PolarHBondContact OE2-NH2 3.21Å | ||
| 1239 | P | 79.3 | Confident | 78.6 | Confident | 80 Ų | 80 | 47.5 Ų | 47.5 | 52% | 0.519 | 25% | 0.254 | S | S | . | . | trans | -60.4 | 153.2 | -179.3 | 26.7 | -35.7 | 0 | 0 | 0 | 112.1 | K1237 R1262 | K1237-P1239 WeakPolarHBondContact O-CD 3.46Å; P1239-R1262 PolarHBondContact O-NH1 3.44Å | ||
| 1240 | G | 87 | Confident | 78.9 | Confident | 3 Ų | 3 | 44 Ų | 44 | 3% | 0.031 | 24% | 0.238 | C | C | . | . | trans | 159.2 | -178.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G1225 G1226 F1242 | G1225-G1240 CarbonylContact C-O 3.03Å; G1225-G1240 WeakPolarHBondContact CA-O 3.39Å; G1226-G1240 PolarHBondContact N-O 3.29Å; G1240-F1242 VanDerWaalsContact O-CD2 3.25Å; G1240-F1242 WeakPolarHBondContact O-CD2 3.48Å; G1240-F1242 VanDerWaalsContact O-CE2 3.28Å; G1240-F1242 WeakPolarHBondContact O-CE2 3.49Å | ||
| 1241 | I | 92 | Very high | 79.5 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | trans | -96.3 | 122 | -179.5 | -53.6 | -58 | 0 | 0 | 0 | 109.8 | I1223 G1225 R1262 V1263 L1271 A1279 | I1223-I1241 HydrophobicContact CB-CG2 3.9Å; I1223-I1241 HydrophobicContact CD1-CG2 3.69Å; I1223-I1241 HydrophobicContact CG1-CG2 4.41Å; I1223-I1241 HydrophobicContact CG2-CG2 3.86Å; G1225-I1241 VanDerWaalsContact O-CD1 3.29Å; G1225-I1241 WeakPolarHBondContact O-CD1 3.28Å; I1241-R1262 CarbonylContact O-C 3.47Å; I1241-R1262 WeakPolarHBondContact O-CA 3.48Å; I1241-V1263 HydrophobicContact CB-CB 4.37Å; I1241-V1263 HydrophobicContact CG2-CB 4.14Å; I1241-V1263 HydrophobicContact CG2-CG2 4.32Å; I1241-V1263 PolarHBondContact O-N 2.87Å; I1241-L1271 HydrophobicContact CG1-CB 4.21Å; I1241-L1271 HydrophobicContact CG1-CD1 4.44Å; I1241-A1279 HydrophobicContact CB-CB 4.42Å; I1241-A1279 HydrophobicContact CD1-CB 3.36Å; I1241-A1279 HydrophobicContact CG1-CB 3.53Å; I1241-A1279 HydrophobicContact CG2-CB 4.04Å | ||
| 1242 | F | 90.9 | Very high | 79.9 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 143.6 | -179.4 | -56.9 | -95.7 | 0 | 0 | 0 | 111.6 | I1223 C1224 C1231 F1234 G1235 G1240 S1244 D1261 R1262 D1297 | I1223-F1242 CarbonylContact C-O 3.37Å; I1223-F1242 WeakPolarHBondContact CA-O 3.39Å; C1224-F1242 PolarHBondContact N-O 3Å; C1224-F1242 PolarHBondContact O-N 3.27Å; C1231-F1242 HydrophobicContact CB-CD2 3.67Å; C1231-F1242 HydrophobicContact CB-CE2 3.47Å; C1231-F1242 VanDerWaalsContact CB-CE2 3.47Å; F1234-F1242 HydrophobicContact CB-CB 3.98Å; F1234-F1242 HydrophobicContact CB-CD1 3.76Å; F1234-F1242 HydrophobicContact CB-CD2 3.96Å; F1234-F1242 HydrophobicContact CB-CE1 4.18Å; F1234-F1242 HydrophobicContact CB-CE2 4.38Å; F1234-F1242 HydrophobicContact CB-CG 3.62Å; F1234-F1242 HydrophobicContact CB-CZ 4.46Å; F1234-F1242 HydrophobicContact CD2-CB 4.47Å; F1234-F1242 HydrophobicContact CG-CB 4.13Å; F1234-F1242 HydrophobicContact CG-CG 4.31Å; G1235-F1242 VanDerWaalsContact CA-CE1 3.5Å; G1240-F1242 VanDerWaalsContact O-CD2 3.25Å; G1240-F1242 WeakPolarHBondContact O-CD2 3.48Å; G1240-F1242 VanDerWaalsContact O-CE2 3.28Å; G1240-F1242 WeakPolarHBondContact O-CE2 3.49Å; F1242-S1244 PolarHBondContact O-N 3.02Å; F1242-D1261 WeakPolarHBondContact CA-O 3.17Å; F1242-R1262 HydrophobicContact CD1-CB 3.88Å; F1242-R1262 HydrophobicContact CD1-CG 4.3Å; F1242-R1262 HydrophobicContact CE1-CB 3.79Å; F1242-R1262 HydrophobicContact CE1-CG 3.99Å; F1242-R1262 HydrophobicContact CZ-CG 4.33Å; F1242-R1262 VanDerWaalsContact CZ-NH2 3.28Å; F1242-D1297 HydrophobicContact CE1-CB 4.47Å |
| 1243 | I | 89 | Confident | 80 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 111.6 | 174.4 | -62.5 | -179.1 | 0 | 0 | 0 | 109.1 | L1221 I1246 L1257 I1259 G1260 D1261 V1263 | L1221-I1243 HydrophobicContact CD2-CD1 4.11Å; L1221-I1243 HydrophobicContact CD2-CG2 3.99Å; I1243-I1246 HydrophobicContact CG2-CD1 4.19Å; I1243-I1246 HydrophobicContact CG2-CG1 3.72Å; I1243-L1257 HydrophobicContact CD1-CB 3.87Å; I1243-L1257 HydrophobicContact CD1-CD1 4.1Å; I1243-L1257 HydrophobicContact CD1-CD2 3.7Å; I1243-L1257 HydrophobicContact CD1-CG 4.08Å; I1243-I1259 CarbonylContact O-C 3.04Å; I1243-I1259 WeakPolarHBondContact O-CA 3.44Å; I1243-G1260 PolarHBondContact O-N 3.17Å; I1243-D1261 HydrophobicContact CB-CB 4.46Å; I1243-D1261 HydrophobicContact CD1-CB 4.02Å; I1243-D1261 HydrophobicContact CG1-CB 4.34Å; I1243-D1261 PolarHBondContact N-O 2.89Å; I1243-V1263 HydrophobicContact CD1-CG2 4.26Å; I1243-V1263 HydrophobicContact CG1-CG2 3.91Å |
| 1244 | S | 78.2 | Confident | 80 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -35.1 | -179.5 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | A1222 I1223 F1242 W1378 | A1222-S1244 WeakPolarHBondContact CB-OG 3.25Å; A1222-S1244 PolarHBondContact O-N 3.48Å; A1222-S1244 PolarHBondContact O-OG 3.37Å; I1223-S1244 VanDerWaalsContact C-OG 3.32Å; I1223-S1244 PolarHBondContact N-OG 3.32Å; I1223-S1244 PolarHBondContact O-OG 3.08Å; F1242-S1244 PolarHBondContact O-N 3.02Å; S1244-W1378 VanDerWaalsContact O-CH2 3.28Å; S1244-W1378 WeakPolarHBondContact O-CH2 3.29Å |
| 1245 | K | 78.9 | Confident | 80.1 | Confident | 64 Ų | 64 | 48.8 Ų | 48.8 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 145.3 | -179.7 | -168.8 | 174.4 | 175.8 | 178.8 | 0 | 111.2 | A1222 G1376 | A1222-K1245 HydrophobicContact CB-CB 3.81Å; A1222-K1245 PolarHBondContact N-O 3.49Å; A1222-K1245 PolarHBondContact O-N 3.23Å; K1245-G1376 PolarHBondContact NZ-O 3.35Å |
| 1246 | I | 83 | Confident | 80.4 | Confident | 36 Ų | 36 | 49.2 Ų | 49.2 | 19% | 0.185 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 118.9 | 168.7 | -53.7 | 179.1 | 0 | 0 | 0 | 107.1 | G1220 L1221 I1243 A1252 L1253 L1257 | G1220-I1246 CarbonylContact O-C 3.56Å; G1220-I1246 VanDerWaalsContact O-CA 3.3Å; G1220-I1246 WeakPolarHBondContact O-CA 3.48Å; L1221-I1246 HydrophobicContact CD2-CG1 4Å; I1243-I1246 HydrophobicContact CG2-CD1 4.19Å; I1243-I1246 HydrophobicContact CG2-CG1 3.72Å; I1246-A1252 HydrophobicContact CG2-CB 4.43Å; I1246-L1253 HydrophobicContact CG2-CD1 4.34Å; I1246-L1257 HydrophobicContact CD1-CB 3.86Å; I1246-L1257 WeakPolarHBondContact CD1-O 3.26Å |
| 1247 | S | 76.8 | Confident | 81.3 | Confident | 34 Ų | 34 | 45.8 Ų | 45.8 | 24% | 0.238 | 25% | 0.248 | C | C | . | . | trans | -83.8 | 144.7 | -176.9 | -51 | 0 | 0 | 0 | 0 | 111.6 | G1220 D1249 | G1220-S1247 PolarHBondContact O-N 2.97Å; S1247-D1249 WeakPolarHBondContact CB-OD1 3.29Å; S1247-D1249 PolarHBondContact O-N 2.85Å | ||
| 1248 | L | 73.6 | Confident | 82.1 | Confident | 111 Ų | 111 | 43.8 Ų | 43.8 | 58% | 0.581 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -13.4 | -177.7 | -67.6 | 171.4 | 0 | 0 | 0 | 114 | L1253 | L1248-L1253 HydrophobicContact CD2-CD1 4.17Å; L1248-L1253 HydrophobicContact CD2-CD2 4.49Å |
| 1249 | D | 73.1 | Confident | 82.4 | Confident | 124 Ų | 124 | 42.9 Ų | 42.9 | 66% | 0.663 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -4.3 | -173.5 | 63.4 | -29.7 | 0 | 0 | 0 | 113.9 | S1247 | S1247-D1249 WeakPolarHBondContact CB-OD1 3.29Å; S1247-D1249 PolarHBondContact O-N 2.85Å |
| 1250 | G | 77.6 | Confident | 82.7 | Confident | 7 Ų | 7 | 39.1 Ų | 39.1 | 7% | 0.072 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -108.5 | 160.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | P1218 A1252 L1253 | P1218-G1250 VanDerWaalsContact O-CA 3.25Å; P1218-G1250 WeakPolarHBondContact O-CA 3.5Å; G1250-A1252 PolarHBondContact O-N 3.24Å; G1250-L1253 PolarHBondContact O-N 2.75Å |
| 1251 | A | 84.1 | Confident | 82.9 | Confident | 30 Ų | 30 | 39.1 Ų | 39.1 | 25% | 0.248 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -29.9 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | V1212 R1213 P1218 L1219 L1253 | V1212-A1251 HydrophobicContact CG1-CB 3.78Å; R1213-A1251 VanDerWaalsContact O-CB 3.24Å; R1213-A1251 WeakPolarHBondContact O-CB 3.24Å; P1218-A1251 PolarHBondContact O-N 2.8Å; L1219-A1251 PolarHBondContact O-N 2.96Å; A1251-L1253 PolarHBondContact O-N 2.93Å |
| 1252 | A | 84.3 | Confident | 82.9 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -24.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1212 L1219 L1221 I1246 G1250 N1254 T1255 L1257 | V1212-A1252 HydrophobicContact CG1-CB 4.37Å; L1219-A1252 WeakPolarHBondContact O-CB 3.33Å; L1219-A1252 PolarHBondContact O-N 3.41Å; L1221-A1252 HydrophobicContact CD1-CB 4Å; L1221-A1252 HydrophobicContact CD2-CB 3.43Å; L1221-A1252 VanDerWaalsContact CD2-CB 3.43Å; L1221-A1252 HydrophobicContact CG-CB 3.43Å; L1221-A1252 VanDerWaalsContact CG-CB 3.43Å; I1246-A1252 HydrophobicContact CG2-CB 4.43Å; G1250-A1252 PolarHBondContact O-N 3.24Å; A1252-N1254 PolarHBondContact O-N 2.86Å; A1252-N1254 VanDerWaalsContact O-N 3.13Å; A1252-T1255 WeakPolarHBondContact O-CB 3.29Å; A1252-T1255 PolarHBondContact O-N 3.36Å; A1252-T1255 PolarHBondContact O-OG1 3.12Å; A1252-L1257 HydrophobicContact CB-CD1 4.06Å |
| 1253 | L | 80.7 | Confident | 83.1 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 29% | 0.288 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -51.5 | -43.3 | -175.2 | -176.1 | 70.4 | 0 | 0 | 0 | 112.3 | T1183 I1246 L1248 G1250 A1251 T1255 | T1183-L1253 HydrophobicContact CG2-CD1 4.47Å; I1246-L1253 HydrophobicContact CG2-CD1 4.34Å; L1248-L1253 HydrophobicContact CD2-CD1 4.17Å; L1248-L1253 HydrophobicContact CD2-CD2 4.49Å; G1250-L1253 PolarHBondContact O-N 2.75Å; A1251-L1253 PolarHBondContact O-N 2.93Å; L1253-T1255 VanDerWaalsContact C-N 3.3Å; L1253-T1255 PolarHBondContact O-N 2.85Å |
| 1254 | N | 79.8 | Confident | 83.3 | Confident | 141 Ų | 141 | 39.8 Ų | 39.8 | 75% | 0.754 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -87.2 | 9.7 | -174.3 | -66.1 | -49.8 | 0 | 0 | 0 | 114.4 | A1252 | A1252-N1254 PolarHBondContact O-N 2.86Å; A1252-N1254 VanDerWaalsContact O-N 3.13Å |
| 1255 | T | 84.5 | Confident | 84 | Confident | 8 Ų | 8 | 42.3 Ų | 42.3 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -97.8 | -22.8 | -176.2 | 68.4 | 0 | 0 | 0 | 0 | 113.4 | R1196 V1212 A1252 L1253 L1257 | R1196-T1255 PolarHBondContact NE-O 3.35Å; V1212-T1255 HydrophobicContact CB-CG2 4.2Å; V1212-T1255 HydrophobicContact CG1-CG2 3.98Å; V1212-T1255 HydrophobicContact CG2-CG2 4.09Å; A1252-T1255 WeakPolarHBondContact O-CB 3.29Å; A1252-T1255 PolarHBondContact O-N 3.36Å; A1252-T1255 PolarHBondContact O-OG1 3.12Å; L1253-T1255 VanDerWaalsContact C-N 3.3Å; L1253-T1255 PolarHBondContact O-N 2.85Å; T1255-L1257 WeakPolarHBondContact OG1-CD1 3.5Å; T1255-L1257 WeakPolarHBondContact OG1-CG 3.4Å |
| 1256 | G | 82.5 | Confident | 84.8 | Confident | 17 Ų | 17 | 39.2 Ų | 39.2 | 18% | 0.175 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | 26.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | R1196 R1296 | R1196-G1256 VanDerWaalsContact NH2-CA 3.34Å; G1256-R1296 PolarHBondContact O-NH1 3.25Å; G1256-R1296 PolarHBondContact O-NH2 3.47Å |
| 1257 | L | 88.1 | Confident | 85.1 | Confident | 12 Ų | 12 | 40 Ų | 40 | 6% | 0.063 | 21% | 0.212 | C | C | . | . | trans | -62.8 | 155.1 | 155.8 | -63.5 | 162.9 | 0 | 0 | 0 | 109.3 | I1210 V1212 L1221 I1243 I1246 A1252 T1255 D1261 L1292 V1294 | I1210-L1257 HydrophobicContact CB-CD2 4.34Å; I1210-L1257 HydrophobicContact CD1-CD2 3.45Å; I1210-L1257 VanDerWaalsContact CD1-CD2 3.45Å; I1210-L1257 HydrophobicContact CD1-CG 4.2Å; I1210-L1257 HydrophobicContact CG1-CD2 4.48Å; I1210-L1257 HydrophobicContact CG2-CD2 4.21Å; I1210-L1257 HydrophobicContact CG2-CG 4.2Å; V1212-L1257 HydrophobicContact CG2-CD1 4.18Å; L1221-L1257 HydrophobicContact CD1-CD1 3.76Å; L1221-L1257 HydrophobicContact CD2-CD1 3.87Å; L1221-L1257 HydrophobicContact CG-CD1 4.37Å; I1243-L1257 HydrophobicContact CD1-CB 3.87Å; I1243-L1257 HydrophobicContact CD1-CD1 4.1Å; I1243-L1257 HydrophobicContact CD1-CD2 3.7Å; I1243-L1257 HydrophobicContact CD1-CG 4.08Å; I1246-L1257 HydrophobicContact CD1-CB 3.86Å; I1246-L1257 WeakPolarHBondContact CD1-O 3.26Å; A1252-L1257 HydrophobicContact CB-CD1 4.06Å; T1255-L1257 WeakPolarHBondContact OG1-CD1 3.5Å; T1255-L1257 WeakPolarHBondContact OG1-CG 3.4Å; L1257-D1261 VanDerWaalsContact CA-OD2 3.28Å; L1257-D1261 WeakPolarHBondContact CA-OD2 3.41Å; L1257-L1292 HydrophobicContact CD1-CD1 3.66Å; L1257-L1292 HydrophobicContact CD2-CD1 4.04Å; L1257-L1292 HydrophobicContact CG-CD1 4.5Å; L1257-V1294 HydrophobicContact CD2-CG2 3.85Å | ||
| 1258 | R | 84.5 | Confident | 85.6 | Confident | 131 Ų | 131 | 40.9 Ų | 40.9 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | trans | -131.4 | 151.2 | -179.3 | -72.5 | 177.8 | -86.5 | 178.7 | -6.7 | 109.7 | G1260 D1261 R1296 | R1258-G1260 PolarHBondContact O-N 3.13Å; R1258-D1261 PolarHBondContact N-OD2 3.14Å; R1258-D1261 VanDerWaalsContact O-CB 3.23Å; R1258-D1261 WeakPolarHBondContact O-CB 3.39Å; R1258-D1261 PolarHBondContact O-N 3.01Å; R1258-D1261 VanDerWaalsContact O-N 3.13Å; R1258-R1296 VanDerWaalsContact NH2-CD 3.32Å | ||
| 1259 | I | 82.2 | Confident | 86.3 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 23% | 0.226 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | 131.7 | 168.9 | -63 | 173.1 | 0 | 0 | 0 | 108 | F1234 I1243 | F1234-I1259 HydrophobicContact CE1-CG2 3.9Å; F1234-I1259 HydrophobicContact CZ-CG2 3.93Å; I1243-I1259 CarbonylContact O-C 3.04Å; I1243-I1259 WeakPolarHBondContact O-CA 3.44Å |
| 1260 | G | 85.3 | Confident | 87.1 | Confident | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.01 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.1 | -6.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | F1234 I1243 R1258 R1262 | F1234-G1260 VanDerWaalsContact CD1-CA 3.49Å; I1243-G1260 PolarHBondContact O-N 3.17Å; R1258-G1260 PolarHBondContact O-N 3.13Å; G1260-R1262 PolarHBondContact O-N 2.78Å |
| 1261 | D | 90.6 | Very high | 87.8 | Confident | 3 Ų | 3 | 35.2 Ų | 35.2 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | trans | -57.7 | 128.6 | 168.6 | -87.7 | -12.6 | 0 | 0 | 0 | 110.3 | F1242 I1243 L1257 R1258 V1294 R1296 | F1242-D1261 WeakPolarHBondContact CA-O 3.17Å; I1243-D1261 HydrophobicContact CB-CB 4.46Å; I1243-D1261 HydrophobicContact CD1-CB 4.02Å; I1243-D1261 HydrophobicContact CG1-CB 4.34Å; I1243-D1261 PolarHBondContact N-O 2.89Å; L1257-D1261 VanDerWaalsContact CA-OD2 3.28Å; L1257-D1261 WeakPolarHBondContact CA-OD2 3.41Å; R1258-D1261 PolarHBondContact N-OD2 3.14Å; R1258-D1261 VanDerWaalsContact O-CB 3.23Å; R1258-D1261 WeakPolarHBondContact O-CB 3.39Å; R1258-D1261 PolarHBondContact O-N 3.01Å; R1258-D1261 VanDerWaalsContact O-N 3.13Å; D1261-V1294 HydrophobicContact CB-CG1 3.5Å; D1261-R1296 WeakPolarHBondContact OD1-CD 3.41Å; D1261-R1296 IonicContact OD1-CZ 3.33Å; D1261-R1296 IonicContact OD1-NE 3.86Å; D1261-R1296 IonicContact OD1-NH1 3.53Å; D1261-R1296 PolarHBondContact OD1-NH1 2.92Å; D1261-R1296 IonicContact OD2-CZ 3.83Å; D1261-R1296 IonicContact OD2-NH1 3.59Å; D1261-R1296 PolarHBondContact OD2-NH1 2.9Å | ||
| 1262 | R | 93.2 | Very high | 88 | Confident | 13 Ų | 13 | 36.2 Ų | 36.2 | 5% | 0.049 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.2 | 175.1 | -176 | -167.8 | -68.2 | -108.1 | 1.9 | 110.3 | E1238 P1239 I1241 F1242 G1260 L1264 V1294 R1295 D1297 | E1238-R1262 VanDerWaalsContact CB-NH2 3.3Å; E1238-R1262 PolarHBondContact O-NH1 3.46Å; E1238-R1262 PolarHBondContact O-NH2 3.1Å; E1238-R1262 VanDerWaalsContact O-NH2 3.17Å; E1238-R1262 IonicContact OE2-NH2 3.78Å; P1239-R1262 PolarHBondContact O-NH1 3.44Å; I1241-R1262 CarbonylContact O-C 3.47Å; I1241-R1262 WeakPolarHBondContact O-CA 3.48Å; F1242-R1262 HydrophobicContact CD1-CB 3.88Å; F1242-R1262 HydrophobicContact CD1-CG 4.3Å; F1242-R1262 HydrophobicContact CE1-CB 3.79Å; F1242-R1262 HydrophobicContact CE1-CG 3.99Å; F1242-R1262 HydrophobicContact CZ-CG 4.33Å; F1242-R1262 VanDerWaalsContact CZ-NH2 3.28Å; G1260-R1262 PolarHBondContact O-N 2.78Å; R1262-L1264 HydrophobicContact CG-CD2 4.16Å; R1262-L1264 PolarHBondContact O-N 3.47Å; R1262-V1294 CarbonylContact O-C 3.52Å; R1262-V1294 WeakPolarHBondContact O-CA 3.43Å; R1262-R1295 HydrophobicContact CB-CB 4.26Å; R1262-R1295 VanDerWaalsContact CZ-NH2 3.35Å; R1262-R1295 PolarHBondContact N-O 3.22Å; R1262-R1295 VanDerWaalsContact NE-NH2 3.12Å; R1262-R1295 PolarHBondContact O-N 2.84Å; R1262-D1297 HydrophobicContact CB-CB 4.41Å; R1262-D1297 IonicContact CZ-OD2 3.38Å; R1262-D1297 IonicContact NE-OD1 2.76Å; R1262-D1297 IonicContact NE-OD2 3.52Å; R1262-D1297 PolarHBondContact NE-OD2 2.84Å; R1262-D1297 IonicContact NH2-OD2 3.6Å; R1262-D1297 PolarHBondContact NH2-OD2 2.85Å; R1262-D1297 VanDerWaalsContact NH2-OD2 3.13Å |
| 1263 | V | 94.3 | Very high | 88.2 | Confident | 2 Ų | 2 | 43 Ų | 43 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 106.6 | 176.2 | -170.2 | 0 | 0 | 0 | 0 | 108.9 | I1241 I1243 V1266 L1271 L1292 | I1241-V1263 HydrophobicContact CB-CB 4.37Å; I1241-V1263 HydrophobicContact CG2-CB 4.14Å; I1241-V1263 HydrophobicContact CG2-CG2 4.32Å; I1241-V1263 PolarHBondContact O-N 2.87Å; I1243-V1263 HydrophobicContact CD1-CG2 4.26Å; I1243-V1263 HydrophobicContact CG1-CG2 3.91Å; V1263-V1266 HydrophobicContact CG1-CG2 3.71Å; V1263-L1271 HydrophobicContact CG1-CD1 4.03Å; V1263-L1292 HydrophobicContact CG1-CD2 4.45Å |
| 1264 | L | 93.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -36.9 | 177.5 | -61.9 | -176.5 | 0 | 0 | 0 | 112.3 | V1207 R1262 L1271 R1272 D1293 R1295 | V1207-L1264 HydrophobicContact CB-CD1 4.48Å; V1207-L1264 HydrophobicContact CG1-CD1 3.86Å; V1207-L1264 HydrophobicContact CG2-CD1 3.71Å; R1262-L1264 HydrophobicContact CG-CD2 4.16Å; R1262-L1264 PolarHBondContact O-N 3.47Å; L1264-L1271 PolarHBondContact O-N 3.02Å; L1264-R1272 HydrophobicContact CD2-CG 3.92Å; L1264-D1293 WeakPolarHBondContact CA-O 3.49Å; L1264-D1293 WeakPolarHBondContact CB-O 3.48Å; L1264-D1293 PolarHBondContact N-O 2.97Å; L1264-R1295 HydrophobicContact CD1-CB 3.87Å; L1264-R1295 HydrophobicContact CD2-CB 4.19Å; L1264-R1295 HydrophobicContact CG-CB 3.93Å |
| 1265 | K | 94.2 | Very high | 88.7 | Confident | 54 Ų | 54 | 35.9 Ų | 35.9 | 24% | 0.235 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 154 | 177.1 | -49.5 | -164.5 | 172.1 | -162.5 | 0 | 113.3 | V1269 D1270 L1292 D1293 | K1265-V1269 CarbonylContact C-O 3.56Å; K1265-V1269 WeakPolarHBondContact CA-O 3.32Å; K1265-V1269 VanDerWaalsContact CB-O 3.24Å; K1265-V1269 WeakPolarHBondContact CB-O 3.43Å; K1265-D1270 VanDerWaalsContact CE-OD2 3.24Å; K1265-D1270 WeakPolarHBondContact CE-OD2 3.18Å; K1265-D1270 IonicContact NZ-OD2 3.48Å; K1265-L1292 CarbonylContact O-C 3.56Å; K1265-L1292 WeakPolarHBondContact O-CA 3.29Å; K1265-D1293 HydrophobicContact CB-CB 3.82Å; K1265-D1293 HydrophobicContact CG-CB 4.02Å; K1265-D1293 PolarHBondContact N-O 2.95Å; K1265-D1293 PolarHBondContact O-N 3.44Å |
| 1266 | V | 93.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 120.2 | 169.4 | -176.1 | 0 | 0 | 0 | 0 | 109.3 | V1263 G1268 V1269 L1271 A1282 L1283 L1290 Q1291 L1292 | V1263-V1266 HydrophobicContact CG1-CG2 3.71Å; V1266-G1268 PolarHBondContact O-N 3.27Å; V1266-V1269 PolarHBondContact N-O 3.18Å; V1266-V1269 VanDerWaalsContact O-CB 3.25Å; V1266-V1269 WeakPolarHBondContact O-CB 3.38Å; V1266-V1269 WeakPolarHBondContact O-CG2 3.28Å; V1266-V1269 PolarHBondContact O-N 3.13Å; V1266-L1271 HydrophobicContact CB-CD1 4.42Å; V1266-L1271 HydrophobicContact CG2-CD1 3.47Å; V1266-L1271 VanDerWaalsContact CG2-CD1 3.47Å; V1266-L1271 HydrophobicContact CG2-CG 4.21Å; V1266-A1282 HydrophobicContact CB-CB 3.99Å; V1266-A1282 HydrophobicContact CG1-CB 4.32Å; V1266-A1282 VanDerWaalsContact CG1-O 3.24Å; V1266-A1282 WeakPolarHBondContact CG1-O 3.46Å; V1266-A1282 HydrophobicContact CG2-CB 4.37Å; V1266-L1283 HydrophobicContact CG1-CD2 4.23Å; V1266-L1283 HydrophobicContact CG2-CD2 3.73Å; V1266-L1283 HydrophobicContact CG2-CG 4.25Å; V1266-L1290 HydrophobicContact CG1-CD1 3.55Å; V1266-L1290 HydrophobicContact CG1-CD2 4.47Å; V1266-L1290 HydrophobicContact CG1-CG 4.01Å; V1266-Q1291 CarbonylContact C-O 3.58Å; V1266-Q1291 WeakPolarHBondContact CA-O 3.48Å; V1266-L1292 HydrophobicContact CB-CD2 4.29Å; V1266-L1292 HydrophobicContact CG1-CD2 3.99Å; V1266-L1292 HydrophobicContact CG2-CD2 3.71Å |
| 1267 | N | 90.9 | Very high | 89 | Confident | 52 Ų | 52 | 39.5 Ų | 39.5 | 28% | 0.278 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 27.1 | -174.7 | -64.2 | -21.7 | 0 | 0 | 0 | 114.3 | Q1285 Q1291 | N1267-Q1285 PolarHBondContact ND2-OE1 3.36Å; N1267-Q1291 PolarHBondContact N-O 3.14Å; N1267-Q1291 PolarHBondContact OD1-N 3.33Å |
| 1268 | G | 86 | Confident | 89 | Confident | 52 Ų | 52 | 44.2 Ų | 44.2 | 54% | 0.536 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | -12.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1266 D1270 | V1266-G1268 PolarHBondContact O-N 3.27Å; G1268-D1270 PolarHBondContact O-N 3.34Å |
| 1269 | V | 88.2 | Confident | 89.3 | Confident | 66 Ų | 66 | 38 Ų | 38 | 40% | 0.4 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 124 | 168.2 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | K1265 V1266 L1271 | K1265-V1269 CarbonylContact C-O 3.56Å; K1265-V1269 WeakPolarHBondContact CA-O 3.32Å; K1265-V1269 VanDerWaalsContact CB-O 3.24Å; K1265-V1269 WeakPolarHBondContact CB-O 3.43Å; V1266-V1269 PolarHBondContact N-O 3.18Å; V1266-V1269 VanDerWaalsContact O-CB 3.25Å; V1266-V1269 WeakPolarHBondContact O-CB 3.38Å; V1266-V1269 WeakPolarHBondContact O-CG2 3.28Å; V1266-V1269 PolarHBondContact O-N 3.13Å; V1269-L1271 HydrophobicContact CG1-CD2 4.16Å |
| 1270 | D | 91.3 | Very high | 89.7 | Confident | 56 Ų | 56 | 37.7 Ų | 37.7 | 30% | 0.299 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 124.1 | 179.6 | -148.9 | -50.2 | 0 | 0 | 0 | 109.7 | K1265 G1268 R1272 | K1265-D1270 VanDerWaalsContact CE-OD2 3.24Å; K1265-D1270 WeakPolarHBondContact CE-OD2 3.18Å; K1265-D1270 IonicContact NZ-OD2 3.48Å; G1268-D1270 PolarHBondContact O-N 3.34Å; D1270-R1272 VanDerWaalsContact CG-NH1 3.29Å; D1270-R1272 VanDerWaalsContact OD1-CG 3.32Å; D1270-R1272 WeakPolarHBondContact OD1-CG 3.34Å; D1270-R1272 IonicContact OD1-CZ 2.92Å; D1270-R1272 PolarHBondContact OD1-N 2.83Å; D1270-R1272 IonicContact OD1-NH1 3.88Å; D1270-R1272 PolarHBondContact OD1-NH1 3.3Å; D1270-R1272 IonicContact OD2-NH1 3.17Å; D1270-R1272 PolarHBondContact OD2-NH1 2.82Å |
| 1271 | L | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | -105.3 | 4.8 | -177.2 | -64 | -165.8 | 0 | 0 | 0 | 113.6 | I1241 V1263 L1264 V1266 V1269 H1273 A1274 A1279 A1282 | I1241-L1271 HydrophobicContact CG1-CB 4.21Å; I1241-L1271 HydrophobicContact CG1-CD1 4.44Å; V1263-L1271 HydrophobicContact CG1-CD1 4.03Å; L1264-L1271 PolarHBondContact O-N 3.02Å; V1266-L1271 HydrophobicContact CB-CD1 4.42Å; V1266-L1271 HydrophobicContact CG2-CD1 3.47Å; V1266-L1271 VanDerWaalsContact CG2-CD1 3.47Å; V1266-L1271 HydrophobicContact CG2-CG 4.21Å; V1269-L1271 HydrophobicContact CG1-CD2 4.16Å; L1271-H1273 PolarHBondContact O-N 3.46Å; L1271-H1273 VanDerWaalsContact O-N 3.09Å; L1271-A1274 HydrophobicContact CB-CB 4.22Å; L1271-A1274 HydrophobicContact CD2-CB 3.78Å; L1271-A1274 PolarHBondContact O-N 2.99Å; L1271-A1279 HydrophobicContact CD1-CB 3.92Å; L1271-A1279 HydrophobicContact CD2-CB 4.49Å; L1271-A1282 HydrophobicContact CD1-CB 4.44Å; L1271-A1282 HydrophobicContact CD2-CB 3.94Å | ||
| 1272 | R | 88.7 | Confident | 89.9 | Confident | 50 Ų | 50 | 43.2 Ų | 43.2 | 19% | 0.189 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -26.4 | -177.8 | -75.3 | -175.4 | -174.7 | 88.6 | -7.8 | 114.9 | Y1200 E1202 L1264 D1270 | Y1200-R1272 PolarHBondContact OH-NH2 3.36Å; E1202-R1272 IonicContact OE1-NE 2.68Å; E1202-R1272 IonicContact OE2-CZ 2.88Å; E1202-R1272 IonicContact OE2-NE 3.94Å; E1202-R1272 PolarHBondContact OE2-NE 2.83Å; E1202-R1272 IonicContact OE2-NH2 3.43Å; E1202-R1272 PolarHBondContact OE2-NH2 2.95Å; L1264-R1272 HydrophobicContact CD2-CG 3.92Å; D1270-R1272 VanDerWaalsContact CG-NH1 3.29Å; D1270-R1272 VanDerWaalsContact OD1-CG 3.32Å; D1270-R1272 WeakPolarHBondContact OD1-CG 3.34Å; D1270-R1272 IonicContact OD1-CZ 2.92Å; D1270-R1272 PolarHBondContact OD1-N 2.83Å; D1270-R1272 IonicContact OD1-NH1 3.88Å; D1270-R1272 PolarHBondContact OD1-NH1 3.3Å; D1270-R1272 IonicContact OD2-NH1 3.17Å; D1270-R1272 PolarHBondContact OD2-NH1 2.82Å |
| 1273 | H | 87.1 | Confident | 89.7 | Confident | 144 Ų | 144 | 43.6 Ų | 43.6 | 67% | 0.667 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -131.8 | 22.1 | -179.8 | -51.9 | -68.1 | 0 | 0 | 0 | 111.8 | L1271 | L1271-H1273 PolarHBondContact O-N 3.46Å; L1271-H1273 VanDerWaalsContact O-N 3.09Å |
| 1274 | A | 83.8 | Confident | 89.3 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 7% | 0.066 | 26% | 0.26 | C | S | . | . | trans | -77.6 | 144 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | G1226 S1227 L1271 E1278 | G1226-A1274 CarbonylContact C-O 3.58Å; G1226-A1274 WeakPolarHBondContact CA-O 3.47Å; S1227-A1274 PolarHBondContact N-O 3.38Å; L1271-A1274 HydrophobicContact CB-CB 4.22Å; L1271-A1274 HydrophobicContact CD2-CB 3.78Å; L1271-A1274 PolarHBondContact O-N 2.99Å; A1274-E1278 HydrophobicContact CB-CB 3.99Å | ||
| 1275 | T | 88.5 | Confident | 88.6 | Confident | 37 Ų | 37 | 52.2 Ų | 52.2 | 23% | 0.227 | 28% | 0.275 | C | S | . | . | trans | -60.1 | 158.1 | 160.9 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | S1227 D1228 D1277 E1278 A1279 | S1227-T1275 WeakPolarHBondContact OG-CA 3.21Å; S1227-T1275 WeakPolarHBondContact OG-CG2 3.44Å; S1227-T1275 PolarHBondContact OG-N 2.93Å; D1228-T1275 HydrophobicContact CB-CG2 4.2Å; D1228-T1275 VanDerWaalsContact OD1-CA 3.27Å; D1228-T1275 WeakPolarHBondContact OD1-CA 3.41Å; D1228-T1275 WeakPolarHBondContact OD2-CB 3.34Å; T1275-D1277 PolarHBondContact O-N 2.97Å; T1275-E1278 WeakPolarHBondContact CB-OE2 3.23Å; T1275-E1278 PolarHBondContact N-OE2 2.79Å; T1275-E1278 PolarHBondContact O-N 2.98Å; T1275-E1278 VanDerWaalsContact O-N 3.16Å; T1275-E1278 WeakPolarHBondContact OG1-CB 3.27Å; T1275-E1278 VanDerWaalsContact OG1-CD 3.24Å; T1275-E1278 WeakPolarHBondContact OG1-CG 3.17Å; T1275-E1278 PolarHBondContact OG1-N 3.16Å; T1275-E1278 VanDerWaalsContact OG1-N 3.17Å; T1275-E1278 PolarHBondContact OG1-OE2 3.03Å; T1275-A1279 PolarHBondContact O-N 2.76Å | ||
| 1276 | H | 85.8 | Confident | 87.8 | Confident | 43 Ų | 43 | 56.2 Ų | 56.2 | 20% | 0.199 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -57.3 | -42.8 | 175 | -171.4 | 86.2 | 0 | 0 | 0 | 110.9 | G1225 D1228 I1229 E1278 A1279 V1280 | G1225-H1276 PolarHBondContact O-ND1 3.15Å; D1228-H1276 PolarHBondContact OD1-N 2.89Å; I1229-H1276 HydrophobicContact CB-CB 4.28Å; I1229-H1276 HydrophobicContact CD1-CB 3.54Å; I1229-H1276 HydrophobicContact CG1-CB 3.88Å; H1276-E1278 PolarHBondContact O-N 3.41Å; H1276-A1279 PolarHBondContact O-N 3.01Å; H1276-V1280 WeakPolarHBondContact O-CB 3.27Å; H1276-V1280 VanDerWaalsContact O-CG2 3.3Å; H1276-V1280 WeakPolarHBondContact O-CG2 3.47Å; H1276-V1280 PolarHBondContact O-N 3.2Å |
| 1277 | D | 86.2 | Confident | 87.3 | Confident | 59 Ų | 59 | 58.6 Ų | 58.6 | 32% | 0.316 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 174.5 | -105.4 | -46.1 | 0 | 0 | 0 | 112 | R955 T1275 A1279 V1280 Q1281 | R955-D1277 IonicContact CZ-OD1 3.57Å; R955-D1277 IonicContact CZ-OD2 3.63Å; R955-D1277 IonicContact NH1-OD1 2.8Å; R955-D1277 PolarHBondContact NH1-OD1 2.84Å; R955-D1277 IonicContact NH1-OD2 3.79Å; R955-D1277 PolarHBondContact NH1-OD2 3.26Å; R955-D1277 IonicContact NH2-OD1 3.41Å; R955-D1277 IonicContact NH2-OD2 2.75Å; R955-D1277 PolarHBondContact NH2-OD2 3.23Å; T1275-D1277 PolarHBondContact O-N 2.97Å; D1277-A1279 PolarHBondContact O-N 2.87Å; D1277-V1280 PolarHBondContact O-N 3.48Å; D1277-Q1281 VanDerWaalsContact O-CG 3.29Å; D1277-Q1281 WeakPolarHBondContact O-CG 3.28Å; D1277-Q1281 PolarHBondContact O-N 3.36Å |
| 1278 | E | 89.7 | Confident | 86.8 | Confident | 110 Ų | 110 | 64.5 Ų | 64.5 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 177.3 | -77 | 166.3 | 134.6 | 0 | 0 | 112.5 | A1274 T1275 H1276 Q1281 A1282 | A1274-E1278 HydrophobicContact CB-CB 3.99Å; T1275-E1278 WeakPolarHBondContact CB-OE2 3.23Å; T1275-E1278 PolarHBondContact N-OE2 2.79Å; T1275-E1278 PolarHBondContact O-N 2.98Å; T1275-E1278 VanDerWaalsContact O-N 3.16Å; T1275-E1278 WeakPolarHBondContact OG1-CB 3.27Å; T1275-E1278 VanDerWaalsContact OG1-CD 3.24Å; T1275-E1278 WeakPolarHBondContact OG1-CG 3.17Å; T1275-E1278 PolarHBondContact OG1-N 3.16Å; T1275-E1278 VanDerWaalsContact OG1-N 3.17Å; T1275-E1278 PolarHBondContact OG1-OE2 3.03Å; H1276-E1278 PolarHBondContact O-N 3.41Å; E1278-Q1281 PolarHBondContact O-N 2.68Å; E1278-A1282 WeakPolarHBondContact O-CB 3.21Å; E1278-A1282 PolarHBondContact O-N 2.77Å |
| 1279 | A | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -42.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | I1223 I1241 L1271 T1275 H1276 D1277 A1282 L1283 | I1223-A1279 HydrophobicContact CD1-CB 3.69Å; I1241-A1279 HydrophobicContact CB-CB 4.42Å; I1241-A1279 HydrophobicContact CD1-CB 3.36Å; I1241-A1279 HydrophobicContact CG1-CB 3.53Å; I1241-A1279 HydrophobicContact CG2-CB 4.04Å; L1271-A1279 HydrophobicContact CD1-CB 3.92Å; L1271-A1279 HydrophobicContact CD2-CB 4.49Å; T1275-A1279 PolarHBondContact O-N 2.76Å; H1276-A1279 PolarHBondContact O-N 3.01Å; D1277-A1279 PolarHBondContact O-N 2.87Å; A1279-A1282 PolarHBondContact O-N 2.84Å; A1279-L1283 WeakPolarHBondContact O-CG 3.3Å; A1279-L1283 PolarHBondContact O-N 2.69Å |
| 1280 | V | 90.5 | Very high | 86.8 | Confident | 38 Ų | 38 | 63 Ų | 63 | 23% | 0.23 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 172.5 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | I1223 H1276 D1277 A1282 L1283 I1284 | I1223-V1280 HydrophobicContact CD1-CG2 3.97Å; I1223-V1280 HydrophobicContact CG1-CG2 4.4Å; H1276-V1280 WeakPolarHBondContact O-CB 3.27Å; H1276-V1280 VanDerWaalsContact O-CG2 3.3Å; H1276-V1280 WeakPolarHBondContact O-CG2 3.47Å; H1276-V1280 PolarHBondContact O-N 3.2Å; D1277-V1280 PolarHBondContact O-N 3.48Å; V1280-A1282 VanDerWaalsContact C-N 3.3Å; V1280-A1282 PolarHBondContact O-N 2.86Å; V1280-L1283 PolarHBondContact O-N 3.46Å; V1280-I1284 HydrophobicContact CG1-CD1 3.49Å; V1280-I1284 VanDerWaalsContact CG1-CD1 3.49Å; V1280-I1284 HydrophobicContact CG1-CG1 4.31Å; V1280-I1284 WeakPolarHBondContact O-CB 3.29Å; V1280-I1284 WeakPolarHBondContact O-CG1 3.34Å; V1280-I1284 PolarHBondContact O-N 3.05Å |
| 1281 | Q | 89 | Confident | 86.8 | Confident | 118 Ų | 118 | 64.1 Ų | 64.1 | 55% | 0.551 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.5 | -36.2 | 176.2 | -69.4 | -59.7 | -35.8 | 0 | 0 | 112.6 | D1277 E1278 | D1277-Q1281 VanDerWaalsContact O-CG 3.29Å; D1277-Q1281 WeakPolarHBondContact O-CG 3.28Å; D1277-Q1281 PolarHBondContact O-N 3.36Å; E1278-Q1281 PolarHBondContact O-N 2.68Å |
| 1282 | A | 90.3 | Very high | 86.9 | Confident | 3 Ų | 3 | 64 Ų | 64 | 3% | 0.025 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -68.7 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V1266 L1271 E1278 A1279 V1280 Q1285 | V1266-A1282 HydrophobicContact CB-CB 3.99Å; V1266-A1282 HydrophobicContact CG1-CB 4.32Å; V1266-A1282 VanDerWaalsContact CG1-O 3.24Å; V1266-A1282 WeakPolarHBondContact CG1-O 3.46Å; V1266-A1282 HydrophobicContact CG2-CB 4.37Å; L1271-A1282 HydrophobicContact CD1-CB 4.44Å; L1271-A1282 HydrophobicContact CD2-CB 3.94Å; E1278-A1282 WeakPolarHBondContact O-CB 3.21Å; E1278-A1282 PolarHBondContact O-N 2.77Å; A1279-A1282 PolarHBondContact O-N 2.84Å; V1280-A1282 VanDerWaalsContact C-N 3.3Å; V1280-A1282 PolarHBondContact O-N 2.86Å; A1282-Q1285 VanDerWaalsContact O-CG 3.27Å; A1282-Q1285 WeakPolarHBondContact O-CG 3.3Å |
| 1283 | L | 88.6 | Confident | 87.1 | Confident | 20 Ų | 20 | 62 Ų | 62 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -74.9 | -29.9 | 177.9 | -69.5 | 170.5 | 0 | 0 | 0 | 113.8 | L1219 I1223 V1266 A1279 V1280 Q1285 L1290 L1292 | L1219-L1283 HydrophobicContact CD2-CB 4.35Å; L1219-L1283 HydrophobicContact CD2-CD2 4.37Å; I1223-L1283 HydrophobicContact CD1-CD1 3.77Å; I1223-L1283 HydrophobicContact CG1-CD1 4.12Å; I1223-L1283 HydrophobicContact CG2-CD1 3.73Å; V1266-L1283 HydrophobicContact CG1-CD2 4.23Å; V1266-L1283 HydrophobicContact CG2-CD2 3.73Å; V1266-L1283 HydrophobicContact CG2-CG 4.25Å; A1279-L1283 WeakPolarHBondContact O-CG 3.3Å; A1279-L1283 PolarHBondContact O-N 2.69Å; V1280-L1283 PolarHBondContact O-N 3.46Å; L1283-Q1285 VanDerWaalsContact C-N 3.29Å; L1283-Q1285 PolarHBondContact O-N 2.84Å; L1283-L1290 HydrophobicContact CD2-CD2 4.01Å; L1283-L1292 HydrophobicContact CD2-CD2 3.69Å |
| 1284 | I | 85.6 | Confident | 87.4 | Confident | 119 Ų | 119 | 55.1 Ų | 55.1 | 61% | 0.61 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2 | -179.1 | -67.8 | 177.6 | 0 | 0 | 0 | 112.6 | V1280 | V1280-I1284 HydrophobicContact CG1-CD1 3.49Å; V1280-I1284 VanDerWaalsContact CG1-CD1 3.49Å; V1280-I1284 HydrophobicContact CG1-CG1 4.31Å; V1280-I1284 WeakPolarHBondContact O-CB 3.29Å; V1280-I1284 WeakPolarHBondContact O-CG1 3.34Å; V1280-I1284 PolarHBondContact O-N 3.05Å |
| 1285 | Q | 79.2 | Confident | 87.8 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 31% | 0.308 | 28% | 0.281 | S | S | . | . | trans | -50.3 | 132.4 | 178.9 | -72.6 | 179.3 | 11.5 | 0 | 0 | 112.6 | N1267 A1282 L1283 V1287 | N1267-Q1285 PolarHBondContact ND2-OE1 3.36Å; A1282-Q1285 VanDerWaalsContact O-CG 3.27Å; A1282-Q1285 WeakPolarHBondContact O-CG 3.3Å; L1283-Q1285 VanDerWaalsContact C-N 3.29Å; L1283-Q1285 PolarHBondContact O-N 2.84Å; Q1285-V1287 VanDerWaalsContact C-N 3.28Å; Q1285-V1287 HydrophobicContact CB-CG1 4.44Å; Q1285-V1287 PolarHBondContact O-N 3.22Å | ||
| 1286 | P | 78.3 | Confident | 87.8 | Confident | 138 Ų | 138 | 54.3 Ų | 54.3 | 90% | 0.896 | 27% | 0.274 | S | S | * | . | trans | -75.3 | 77.2 | -177.8 | 31.1 | -36 | 0 | 0 | 0 | 111.6 | ||||
| 1287 | V | 82.2 | Confident | 87.8 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 30% | 0.303 | 27% | 0.267 | S | S | . | . | trans | -121.7 | 148.4 | 178.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | Q1285 E1289 L1290 | Q1285-V1287 VanDerWaalsContact C-N 3.28Å; Q1285-V1287 HydrophobicContact CB-CG1 4.44Å; Q1285-V1287 PolarHBondContact O-N 3.22Å; V1287-E1289 WeakPolarHBondContact CG2-O 3.36Å; V1287-L1290 HydrophobicContact CG2-CB 4.13Å; V1287-L1290 HydrophobicContact CG2-CD1 3.74Å | ||
| 1288 | K | 80.8 | Confident | 87.5 | Confident | 176 Ų | 176 | 52.2 Ų | 52.2 | 77% | 0.765 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -74.4 | -31.5 | 174.3 | -65.7 | -172.4 | 176.2 | -171.5 | 0 | 112.9 | N1214 | N1214-K1288 PolarHBondContact N-O 3.17Š|
| 1289 | E | 85.7 | Confident | 86.9 | Confident | 81 Ų | 81 | 50.2 Ų | 50.2 | 38% | 0.379 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 121.2 | 176.7 | -61.1 | -162.3 | 150.5 | 0 | 0 | 108.1 | T1211 V1212 R1213 V1287 | T1211-E1289 HydrophobicContact CG2-CB 3.83Å; T1211-E1289 HydrophobicContact CG2-CG 4.3Å; V1212-E1289 CarbonylContact O-C 3.56Å; V1212-E1289 WeakPolarHBondContact O-CA 3.06Å; R1213-E1289 HydrophobicContact CG-CG 4.25Å; R1213-E1289 IonicContact CZ-OE1 3.57Å; R1213-E1289 IonicContact NE-OE1 3.1Å; R1213-E1289 PolarHBondContact NE-OE1 2.93Å; R1213-E1289 IonicContact NH2-OE1 2.87Å; R1213-E1289 PolarHBondContact NH2-OE1 2.94Å; V1287-E1289 WeakPolarHBondContact CG2-O 3.36Å |
| 1290 | L | 89.3 | Confident | 86.4 | Confident | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.021 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 120.2 | 177.6 | -168.7 | 74.5 | 0 | 0 | 0 | 108.2 | T1211 V1212 L1219 V1266 L1283 V1287 L1292 | T1211-L1290 WeakPolarHBondContact CA-O 3.39Å; V1212-L1290 HydrophobicContact CB-CB 4.29Å; V1212-L1290 PolarHBondContact N-O 2.99Å; V1212-L1290 PolarHBondContact O-N 3.46Å; L1219-L1290 HydrophobicContact CD1-CD2 3.8Å; L1219-L1290 HydrophobicContact CD2-CD2 3.64Å; L1219-L1290 HydrophobicContact CG-CD2 4.39Å; V1266-L1290 HydrophobicContact CG1-CD1 3.55Å; V1266-L1290 HydrophobicContact CG1-CD2 4.47Å; V1266-L1290 HydrophobicContact CG1-CG 4.01Å; L1283-L1290 HydrophobicContact CD2-CD2 4.01Å; V1287-L1290 HydrophobicContact CG2-CB 4.13Å; V1287-L1290 HydrophobicContact CG2-CD1 3.74Å; L1290-L1292 HydrophobicContact CD2-CD2 3.88Å; L1290-L1292 HydrophobicContact CG-CD2 4.03Å |
| 1291 | Q | 91.1 | Very high | 85.9 | Confident | 80 Ų | 80 | 49.2 Ų | 49.2 | 37% | 0.374 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 115.5 | 178.3 | -65.7 | -174 | 7 | 0 | 0 | 110.2 | V1266 N1267 | V1266-Q1291 CarbonylContact C-O 3.58Å; V1266-Q1291 WeakPolarHBondContact CA-O 3.48Å; N1267-Q1291 PolarHBondContact N-O 3.14Å; N1267-Q1291 PolarHBondContact OD1-N 3.33Å |
| 1292 | L | 93.5 | Very high | 85.6 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 121.7 | 177.3 | -53 | 178.4 | 0 | 0 | 0 | 109.3 | R1209 I1210 V1212 L1221 L1257 V1263 K1265 V1266 L1283 L1290 V1294 | R1209-L1292 CarbonylContact C-O 3.55Å; R1209-L1292 VanDerWaalsContact CA-O 3.27Å; R1209-L1292 WeakPolarHBondContact CA-O 3.18Å; I1210-L1292 PolarHBondContact N-O 3.5Å; I1210-L1292 PolarHBondContact O-N 3.12Å; V1212-L1292 HydrophobicContact CG2-CD1 3.73Å; V1212-L1292 HydrophobicContact CG2-CG 4.22Å; L1221-L1292 HydrophobicContact CD1-CD1 4Å; L1257-L1292 HydrophobicContact CD1-CD1 3.66Å; L1257-L1292 HydrophobicContact CD2-CD1 4.04Å; L1257-L1292 HydrophobicContact CG-CD1 4.5Å; V1263-L1292 HydrophobicContact CG1-CD2 4.45Å; K1265-L1292 CarbonylContact O-C 3.56Å; K1265-L1292 WeakPolarHBondContact O-CA 3.29Å; V1266-L1292 HydrophobicContact CB-CD2 4.29Å; V1266-L1292 HydrophobicContact CG1-CD2 3.99Å; V1266-L1292 HydrophobicContact CG2-CD2 3.71Å; L1283-L1292 HydrophobicContact CD2-CD2 3.69Å; L1290-L1292 HydrophobicContact CD2-CD2 3.88Å; L1290-L1292 HydrophobicContact CG-CD2 4.03Å; L1292-V1294 HydrophobicContact CB-CG2 3.72Å |
| 1293 | D | 94.3 | Very high | 85.3 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.043 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 119.4 | 164.3 | -66.5 | -3.9 | 0 | 0 | 0 | 107.4 | L1199 R1209 L1264 K1265 | L1199-D1293 HydrophobicContact CD1-CB 4.13Å; L1199-D1293 VanDerWaalsContact CD1-CG 3.46Å; L1199-D1293 WeakPolarHBondContact CD1-OD2 3.2Å; R1209-D1293 IonicContact CZ-OD1 3.93Å; R1209-D1293 VanDerWaalsContact CZ-OD1 3.26Å; R1209-D1293 IonicContact CZ-OD2 3.62Å; R1209-D1293 IonicContact NE-OD1 2.87Å; R1209-D1293 PolarHBondContact NE-OD1 3.36Å; R1209-D1293 VanDerWaalsContact NH2-CG 3.34Å; R1209-D1293 IonicContact NH2-OD1 3.26Å; R1209-D1293 PolarHBondContact NH2-OD1 3.38Å; R1209-D1293 IonicContact NH2-OD2 3.88Å; R1209-D1293 PolarHBondContact NH2-OD2 3.02Å; L1264-D1293 WeakPolarHBondContact CA-O 3.49Å; L1264-D1293 WeakPolarHBondContact CB-O 3.48Å; L1264-D1293 PolarHBondContact N-O 2.97Å; K1265-D1293 HydrophobicContact CB-CB 3.82Å; K1265-D1293 HydrophobicContact CG-CB 4.02Å; K1265-D1293 PolarHBondContact N-O 2.95Å; K1265-D1293 PolarHBondContact O-N 3.44Å |
| 1294 | V | 93.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 127.1 | -165.8 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | V1207 E1208 I1210 L1257 D1261 R1262 L1292 | V1207-V1294 CarbonylContact C-O 3.18Å; V1207-V1294 VanDerWaalsContact CA-O 3.32Å; V1207-V1294 WeakPolarHBondContact CA-O 3.34Å; E1208-V1294 PolarHBondContact N-O 2.99Å; E1208-V1294 PolarHBondContact O-N 3.32Å; I1210-V1294 HydrophobicContact CD1-CB 4.23Å; I1210-V1294 HydrophobicContact CD1-CG2 4.22Å; L1257-V1294 HydrophobicContact CD2-CG2 3.85Å; D1261-V1294 HydrophobicContact CB-CG1 3.5Å; R1262-V1294 CarbonylContact O-C 3.52Å; R1262-V1294 WeakPolarHBondContact O-CA 3.43Å; L1292-V1294 HydrophobicContact CB-CG2 3.72Å |
| 1295 | R | 92 | Very high | 85.2 | Confident | 8 Ų | 8 | 45.7 Ų | 45.7 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.9 | 170.4 | -158.3 | 174 | 76.4 | 179.7 | 12.8 | 108.2 | E1202 I1205 V1207 E1238 R1262 L1264 D1297 | E1202-R1295 IonicContact OE1-CZ 2.61Å; E1202-R1295 IonicContact OE1-NH1 3.9Å; E1202-R1295 PolarHBondContact OE1-NH1 3.26Å; I1205-R1295 HydrophobicContact CB-CG 3.96Å; I1205-R1295 HydrophobicContact CG2-CG 3.74Å; V1207-R1295 HydrophobicContact CG2-CB 4.23Å; V1207-R1295 HydrophobicContact CG2-CG 4.01Å; E1238-R1295 IonicContact OE2-CZ 3.48Å; E1238-R1295 IonicContact OE2-NH1 3.69Å; E1238-R1295 IonicContact OE2-NH2 2.95Å; E1238-R1295 PolarHBondContact OE2-NH2 3.21Å; R1262-R1295 HydrophobicContact CB-CB 4.26Å; R1262-R1295 VanDerWaalsContact CZ-NH2 3.35Å; R1262-R1295 PolarHBondContact N-O 3.22Å; R1262-R1295 VanDerWaalsContact NE-NH2 3.12Å; R1262-R1295 PolarHBondContact O-N 2.84Å; L1264-R1295 HydrophobicContact CD1-CB 3.87Å; L1264-R1295 HydrophobicContact CD2-CB 4.19Å; L1264-R1295 HydrophobicContact CG-CB 3.93Å; R1295-D1297 WeakPolarHBondContact CB-OD1 3.16Å; R1295-D1297 VanDerWaalsContact CG-OD1 3.29Å; R1295-D1297 WeakPolarHBondContact CG-OD1 3.21Å; R1295-D1297 IonicContact CZ-OD1 2.74Å; R1295-D1297 IonicContact CZ-OD2 2.71Å; R1295-D1297 IonicContact NE-OD1 2.72Å; R1295-D1297 PolarHBondContact NE-OD1 3.01Å; R1295-D1297 IonicContact NE-OD2 3.56Å; R1295-D1297 IonicContact NH2-OD1 2.66Å; R1295-D1297 PolarHBondContact NH2-OD1 3.14Å; R1295-D1297 IonicContact NH2-OD2 2.76Å; R1295-D1297 PolarHBondContact NH2-OD2 3.06Å; R1295-D1297 PolarHBondContact O-N 2.83Å |
| 1296 | R | 87.9 | Confident | 85.5 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | trans | -81.2 | 59.8 | -176.2 | -59.9 | -57.3 | -159.8 | 156.5 | -2 | 111.8 | I1205 P1206 E1208 G1256 R1258 D1261 | I1205-R1296 VanDerWaalsContact CG2-C 3.42Å; I1205-R1296 HydrophobicContact CG2-CB 4.24Å; I1205-R1296 WeakPolarHBondContact CG2-O 3.25Å; P1206-R1296 HydrophobicContact CG-CB 4.2Å; P1206-R1296 HydrophobicContact CG-CG 4.28Å; P1206-R1296 PolarHBondContact O-N 2.87Å; P1206-R1296 VanDerWaalsContact O-N 3.16Å; E1208-R1296 IonicContact OE2-CZ 2.67Å; E1208-R1296 VanDerWaalsContact OE2-CZ 3.22Å; E1208-R1296 IonicContact OE2-NE 3.31Å; E1208-R1296 PolarHBondContact OE2-NE 3.45Å; E1208-R1296 IonicContact OE2-NH2 3.45Å; E1208-R1296 PolarHBondContact OE2-NH2 3.34Å; G1256-R1296 PolarHBondContact O-NH1 3.25Å; G1256-R1296 PolarHBondContact O-NH2 3.47Å; R1258-R1296 VanDerWaalsContact NH2-CD 3.32Å; D1261-R1296 WeakPolarHBondContact OD1-CD 3.41Å; D1261-R1296 IonicContact OD1-CZ 3.33Å; D1261-R1296 IonicContact OD1-NE 3.86Å; D1261-R1296 IonicContact OD1-NH1 3.53Å; D1261-R1296 PolarHBondContact OD1-NH1 2.92Å; D1261-R1296 IonicContact OD2-CZ 3.83Å; D1261-R1296 IonicContact OD2-NH1 3.59Å; D1261-R1296 PolarHBondContact OD2-NH1 2.9Å | ||
| 1297 | D | 85 | Confident | 85.9 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.064 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -57.2 | 146.4 | 179.7 | -73.5 | 29.9 | 0 | 0 | 0 | 110.7 | F1242 R1262 R1295 | F1242-D1297 HydrophobicContact CE1-CB 4.47Å; R1262-D1297 HydrophobicContact CB-CB 4.41Å; R1262-D1297 IonicContact CZ-OD2 3.38Å; R1262-D1297 IonicContact NE-OD1 2.76Å; R1262-D1297 IonicContact NE-OD2 3.52Å; R1262-D1297 PolarHBondContact NE-OD2 2.84Å; R1262-D1297 IonicContact NH2-OD2 3.6Å; R1262-D1297 PolarHBondContact NH2-OD2 2.85Å; R1262-D1297 VanDerWaalsContact NH2-OD2 3.13Å; R1295-D1297 WeakPolarHBondContact CB-OD1 3.16Å; R1295-D1297 VanDerWaalsContact CG-OD1 3.29Å; R1295-D1297 WeakPolarHBondContact CG-OD1 3.21Å; R1295-D1297 IonicContact CZ-OD1 2.74Å; R1295-D1297 IonicContact CZ-OD2 2.71Å; R1295-D1297 IonicContact NE-OD1 2.72Å; R1295-D1297 PolarHBondContact NE-OD1 3.01Å; R1295-D1297 IonicContact NE-OD2 3.56Å; R1295-D1297 IonicContact NH2-OD1 2.66Å; R1295-D1297 PolarHBondContact NH2-OD1 3.14Å; R1295-D1297 IonicContact NH2-OD2 2.76Å; R1295-D1297 PolarHBondContact NH2-OD2 3.06Å; R1295-D1297 PolarHBondContact O-N 2.83Å |
| 1298 | P | 81.7 | Confident | 86 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 30% | 0.299 | 19% | 0.186 | S | C | . | . | P | Polyproline II helix | trans | -63.4 | 141.3 | 178.4 | 26.1 | -33.5 | 0 | 0 | 0 | 110.5 | ||
| 1299 | P | 76.8 | Confident | 86.1 | Confident | 68 Ų | 68 | 32.9 Ų | 32.9 | 44% | 0.442 | 17% | 0.174 | S | C | . | . | P | Polyproline II helix | trans | -64.1 | 156.1 | 174.4 | 29.3 | -35.2 | 0 | 0 | 0 | 110.5 | L1303 | P1299-L1303 HydrophobicContact CB-CD2 3.89Š|
| 1300 | P | 80.6 | Confident | 85.8 | Confident | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.039 | 16% | 0.16 | C | C | . | . | P | Polyproline II helix | trans | -56.9 | 145.7 | 175.1 | 24.7 | -35 | 0 | 0 | 0 | 110.6 | P1233 F1234 L1303 C1403 | P1233-P1300 HydrophobicContact CB-CB 3.8Å; P1233-P1300 HydrophobicContact CG-CB 3.72Å; P1233-P1300 HydrophobicContact CG-CG 3.92Å; F1234-P1300 HydrophobicContact CD1-CG 4.08Å; F1234-P1300 HydrophobicContact CE1-CG 3.85Å; F1234-P1300 HydrophobicContact CZ-CG 4.47Å; P1300-L1303 HydrophobicContact CG-CB 4.31Å; P1300-L1303 HydrophobicContact CG-CD1 4.27Å; P1300-L1303 HydrophobicContact CG-CD2 4.28Å; P1300-L1303 VanDerWaalsContact O-CB 3.27Å; P1300-L1303 WeakPolarHBondContact O-CB 3.33Å; P1300-L1303 PolarHBondContact O-N 3.18Å; P1300-C1403 HydrophobicContact CB-CB 4.23Å; P1300-C1403 HydrophobicContact CG-CB 4.32Å |
| 1301 | P | 80 | Confident | 85.3 | Confident | 10 Ų | 10 | 37.3 Ų | 37.3 | 7% | 0.065 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 146 | 179.5 | -34.4 | 40.3 | 0 | 0 | 0 | 115.3 | D19 R21 L1303 C1403 D1404 | D19-P1301 VanDerWaalsContact CG-CB 3.48Å; D19-P1301 VanDerWaalsContact OD1-CA 3.31Å; D19-P1301 WeakPolarHBondContact OD1-CA 3.21Å; D19-P1301 WeakPolarHBondContact OD1-CB 3.31Å; D19-P1301 WeakPolarHBondContact OD2-CA 3.38Å; D19-P1301 WeakPolarHBondContact OD2-CB 3.37Å; D19-P1301 VanDerWaalsContact OD2-CG 3.26Å; D19-P1301 WeakPolarHBondContact OD2-CG 3.36Å; R21-P1301 HydrophobicContact CG-CB 4.19Å; P1301-L1303 PolarHBondContact O-N 3.06Å; P1301-C1403 WeakPolarHBondContact O-CA 3.11Å; P1301-C1403 VanDerWaalsContact O-CB 3.25Å; P1301-C1403 WeakPolarHBondContact O-CB 3.14Å; P1301-D1404 HydrophobicContact CB-CB 4.28Å; P1301-D1404 WeakPolarHBondContact CB-OD2 3.41Å; P1301-D1404 PolarHBondContact O-N 2.79Å |
| 1302 | G | 81.6 | Confident | 84.4 | Confident | 10 Ų | 10 | 40 Ų | 40 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.1 | 15 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D19 R1304 D1404 | D19-G1302 PolarHBondContact OD1-N 3.08Å; G1302-R1304 WeakPolarHBondContact O-CD 3.4Å; G1302-R1304 VanDerWaalsContact O-CG 3.26Å; G1302-R1304 WeakPolarHBondContact O-CG 3.27Å; G1302-R1304 PolarHBondContact O-N 2.94Å; G1302-R1304 VanDerWaalsContact O-N 3.07Å; G1302-R1304 PolarHBondContact O-NH1 2.7Å; G1302-D1404 WeakPolarHBondContact CA-OD1 3.44Å; G1302-D1404 WeakPolarHBondContact CA-OD2 3.42Å; G1302-D1404 PolarHBondContact N-OD2 3.34Å |
| 1303 | L | 84 | Confident | 83.2 | Confident | 42 Ų | 42 | 43.9 Ų | 43.9 | 22% | 0.22 | 25% | 0.252 | C | S | . | . | trans | -55.8 | 111.8 | 179.7 | -176.8 | 67.8 | 0 | 0 | 0 | 111.3 | P1299 P1300 P1301 L1372 V1401 V1402 C1403 | P1299-L1303 HydrophobicContact CB-CD2 3.89Å; P1300-L1303 HydrophobicContact CG-CB 4.31Å; P1300-L1303 HydrophobicContact CG-CD1 4.27Å; P1300-L1303 HydrophobicContact CG-CD2 4.28Å; P1300-L1303 VanDerWaalsContact O-CB 3.27Å; P1300-L1303 WeakPolarHBondContact O-CB 3.33Å; P1300-L1303 PolarHBondContact O-N 3.18Å; P1301-L1303 PolarHBondContact O-N 3.06Å; L1303-L1372 HydrophobicContact CD1-CD1 3.69Å; L1303-V1401 HydrophobicContact CD1-CG1 3.63Å; L1303-V1402 CarbonylContact C-O 3.25Å; L1303-V1402 VanDerWaalsContact CA-O 3.27Å; L1303-V1402 WeakPolarHBondContact CA-O 3.14Å; L1303-C1403 HydrophobicContact CB-CB 4.48Å; L1303-C1403 HydrophobicContact CD1-CB 4.28Å | ||
| 1304 | R | 86.3 | Confident | 82.1 | Confident | 42 Ų | 42 | 45.6 Ų | 45.6 | 16% | 0.158 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.7 | -174.4 | 63.4 | -160.6 | -176.9 | -89.9 | 6 | 111.7 | H22 G1302 I1306 R1364 D1369 V1401 V1402 D1404 | H22-R1304 PolarHBondContact O-NH2 3.16Å; G1302-R1304 WeakPolarHBondContact O-CD 3.4Å; G1302-R1304 VanDerWaalsContact O-CG 3.26Å; G1302-R1304 WeakPolarHBondContact O-CG 3.27Å; G1302-R1304 PolarHBondContact O-N 2.94Å; G1302-R1304 VanDerWaalsContact O-N 3.07Å; G1302-R1304 PolarHBondContact O-NH1 2.7Å; R1304-I1306 HydrophobicContact CG-CD1 4.24Å; R1304-I1306 HydrophobicContact CG-CG1 4.11Å; R1304-R1364 PolarHBondContact NH2-O 3.19Å; R1304-D1369 IonicContact CZ-OD1 2.86Å; R1304-D1369 IonicContact NH1-OD1 3.82Å; R1304-D1369 IonicContact NH2-OD1 2.7Å; R1304-D1369 PolarHBondContact NH2-OD1 3.42Å; R1304-D1369 IonicContact NH2-OD2 3.03Å; R1304-D1369 PolarHBondContact NH2-OD2 2.99Å; R1304-V1401 WeakPolarHBondContact O-CA 3.07Å; R1304-V1402 HydrophobicContact CG-CG2 3.49Å; R1304-V1402 VanDerWaalsContact CG-CG2 3.49Å; R1304-V1402 PolarHBondContact N-O 3.15Å; R1304-V1402 PolarHBondContact O-N 3.34Å; R1304-D1404 IonicContact NH1-OD1 2.98Å; R1304-D1404 PolarHBondContact NH1-OD1 3.36Å |
| 1305 | R | 84.9 | Confident | 81.3 | Confident | 93 Ų | 93 | 51.6 Ų | 51.6 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 127.9 | 170.8 | -171.4 | 175.9 | -74.8 | -83.5 | 3.3 | 109.7 | L1182 E1373 S1399 C1400 V1401 | L1182-R1305 HydrophobicContact CD2-CB 3.66Å; R1305-E1373 IonicContact CZ-OE1 3.54Å; R1305-E1373 IonicContact CZ-OE2 3.19Å; R1305-E1373 IonicContact NH1-OE1 3.62Å; R1305-E1373 PolarHBondContact NH1-OE1 2.79Å; R1305-E1373 IonicContact NH1-OE2 3.55Å; R1305-E1373 IonicContact NH2-OE1 3.61Å; R1305-E1373 PolarHBondContact NH2-OE1 3.45Å; R1305-E1373 IonicContact NH2-OE2 2.78Å; R1305-E1373 PolarHBondContact NH2-OE2 3.42Å; R1305-S1399 PolarHBondContact NH1-OG 3.17Å; R1305-C1400 CarbonylContact C-O 3.47Å; R1305-C1400 VanDerWaalsContact CA-O 3.28Å; R1305-C1400 WeakPolarHBondContact CA-O 3.39Å; R1305-V1401 HydrophobicContact CB-CG2 4.43Å; R1305-V1401 HydrophobicContact CG-CG2 4.27Å |
| 1306 | I | 86.5 | Confident | 80.8 | Confident | 4 Ų | 4 | 51.4 Ų | 51.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113.6 | -176.5 | -51.9 | 178 | 0 | 0 | 0 | 108.4 | R1304 V1308 R1364 L1365 S1399 C1400 V1402 | R1304-I1306 HydrophobicContact CG-CD1 4.24Å; R1304-I1306 HydrophobicContact CG-CG1 4.11Å; I1306-V1308 HydrophobicContact CG2-CG2 3.65Å; I1306-R1364 HydrophobicContact CD1-CB 4.01Å; I1306-R1364 HydrophobicContact CG1-CB 4.42Å; I1306-R1364 HydrophobicContact CG2-CB 4Å; I1306-L1365 HydrophobicContact CD1-CB 4.43Å; I1306-L1365 HydrophobicContact CD1-CD1 3.99Å; I1306-S1399 CarbonylContact O-C 3.53Å; I1306-S1399 WeakPolarHBondContact O-CA 3.38Å; I1306-C1400 PolarHBondContact N-O 2.59Å; I1306-C1400 PolarHBondContact O-N 3.35Å; I1306-V1402 HydrophobicContact CD1-CG1 4.46Å; I1306-V1402 HydrophobicContact CD1-CG2 3.61Å; I1306-V1402 HydrophobicContact CG1-CG2 4.23Å |
| 1307 | T | 86.8 | Confident | 80.5 | Confident | 72 Ų | 72 | 50.6 Ų | 50.6 | 44% | 0.442 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 121 | 170.5 | -49.9 | 0 | 0 | 0 | 0 | 110 | R1364 L1398 | T1307-R1364 PolarHBondContact O-NH2 3.07Å; T1307-L1398 CarbonylContact C-O 3.11Å; T1307-L1398 WeakPolarHBondContact CA-O 3.31Å |
| 1308 | V | 84.8 | Confident | 80.4 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.4 | -176.8 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | I1306 V1358 I1359 D1362 T1397 L1398 | I1306-V1308 HydrophobicContact CG2-CG2 3.65Å; V1308-V1358 HydrophobicContact CG1-CG1 3.49Å; V1308-V1358 VanDerWaalsContact CG1-CG1 3.49Å; V1308-I1359 HydrophobicContact CB-CD1 4.35Å; V1308-I1359 HydrophobicContact CG1-CD1 4.16Å; V1308-I1359 HydrophobicContact CG2-CD1 4.03Å; V1308-D1362 HydrophobicContact CG1-CB 3.95Å; V1308-D1362 HydrophobicContact CG2-CB 4.2Å; V1308-T1397 CarbonylContact O-C 3.52Å; V1308-T1397 WeakPolarHBondContact O-CA 3.35Å; V1308-L1398 PolarHBondContact N-O 3.21Å; V1308-L1398 PolarHBondContact O-N 2.84Å |
| 1309 | T | 82.2 | Confident | 80.4 | Confident | 83 Ų | 83 | 51.8 Ų | 51.8 | 51% | 0.509 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 124.1 | -179 | -49.9 | 0 | 0 | 0 | 0 | 110.7 | V1358 R1361 S1396 T1397 | T1309-V1358 WeakPolarHBondContact O-CG1 3.36Å; T1309-R1361 PolarHBondContact O-NH2 2.73Å; T1309-S1396 WeakPolarHBondContact CA-O 3.14Å; T1309-T1397 HydrophobicContact CG2-CG2 4.02Å |
| 1310 | K | 78.9 | Confident | 80.7 | Confident | 22 Ų | 22 | 49 Ų | 49 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 142.8 | 171.9 | 61.9 | 175.5 | 177.8 | -177.7 | 0 | 110.8 | E1314 Y1316 V1358 S1394 K1395 S1396 D1445 | K1310-E1314 HydrophobicContact CB-CB 4.38Å; K1310-E1314 WeakPolarHBondContact CD-O 3.31Å; K1310-Y1316 HydrophobicContact CB-CE1 4.17Å; K1310-Y1316 HydrophobicContact CD-CD2 4.47Å; K1310-Y1316 HydrophobicContact CD-CE1 4.22Å; K1310-Y1316 HydrophobicContact CD-CE2 3.91Å; K1310-Y1316 HydrophobicContact CG-CE1 4.14Å; K1310-V1358 HydrophobicContact CB-CG1 4.39Å; K1310-V1358 HydrophobicContact CB-CG2 3.85Å; K1310-S1394 WeakPolarHBondContact CE-O 3.39Å; K1310-K1395 WeakPolarHBondContact CE-O 2.95Å; K1310-S1396 WeakPolarHBondContact CG-O 3.49Å; K1310-S1396 PolarHBondContact N-O 3.18Å; K1310-D1445 IonicContact NZ-OD1 2.68Å; K1310-D1445 PolarHBondContact NZ-OD1 3.3Å; K1310-D1445 IonicContact NZ-OD2 3.07Å; K1310-D1445 PolarHBondContact NZ-OD2 3.28Å |
| 1311 | R | 79.6 | Confident | 80.7 | Confident | 155 Ų | 155 | 50.5 Ų | 50.5 | 59% | 0.585 | 27% | 0.267 | S | S | * | . | P | Polyproline II helix | trans | -78.8 | 160.4 | 166.6 | -53.5 | -179.3 | -171.7 | 138.8 | -10.2 | 109.3 | G1313 E1314 | R1311-G1313 PolarHBondContact O-N 2.94Å; R1311-E1314 VanDerWaalsContact CB-CD 3.41Å; R1311-E1314 HydrophobicContact CB-CG 3.97Å; R1311-E1314 WeakPolarHBondContact CB-OE2 3.4Å; R1311-E1314 VanDerWaalsContact CD-OE1 3.26Å; R1311-E1314 WeakPolarHBondContact CD-OE1 3.36Å; R1311-E1314 VanDerWaalsContact CG-OE2 3.29Å; R1311-E1314 WeakPolarHBondContact CG-OE2 3.47Å; R1311-E1314 IonicContact CZ-OE1 2.9Å; R1311-E1314 PolarHBondContact N-OE2 2.94Å; R1311-E1314 IonicContact NE-OE1 3.57Å; R1311-E1314 IonicContact NH1-OE1 3.57Å; R1311-E1314 PolarHBondContact NH1-OE1 3.07Å; R1311-E1314 PolarHBondContact O-N 3.11Å |
| 1312 | P | 72.6 | Confident | 80.5 | Confident | 138 Ų | 138 | 51.4 Ų | 51.4 | 90% | 0.896 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | 124.8 | 174.3 | -26.5 | 35.7 | 0 | 0 | 0 | 111.6 | ||
| 1313 | G | 66.7 | Low | 80 | Confident | 81 Ų | 81 | 51.4 Ų | 51.4 | 84% | 0.835 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | R1311 | R1311-G1313 PolarHBondContact O-N 2.94Š|
| 1314 | E | 72.2 | Confident | 79.1 | Confident | 44 Ų | 44 | 52.8 Ų | 52.8 | 21% | 0.206 | 29% | 0.286 | C | S | . | . | trans | -88.8 | 140.6 | 175.6 | -61.8 | 178 | 163.6 | 0 | 0 | 111.8 | K1310 R1311 V1358 R1361 | K1310-E1314 HydrophobicContact CB-CB 4.38Å; K1310-E1314 WeakPolarHBondContact CD-O 3.31Å; R1311-E1314 VanDerWaalsContact CB-CD 3.41Å; R1311-E1314 HydrophobicContact CB-CG 3.97Å; R1311-E1314 WeakPolarHBondContact CB-OE2 3.4Å; R1311-E1314 VanDerWaalsContact CD-OE1 3.26Å; R1311-E1314 WeakPolarHBondContact CD-OE1 3.36Å; R1311-E1314 VanDerWaalsContact CG-OE2 3.29Å; R1311-E1314 WeakPolarHBondContact CG-OE2 3.47Å; R1311-E1314 IonicContact CZ-OE1 2.9Å; R1311-E1314 PolarHBondContact N-OE2 2.94Å; R1311-E1314 IonicContact NE-OE1 3.57Å; R1311-E1314 IonicContact NH1-OE1 3.57Å; R1311-E1314 PolarHBondContact NH1-OE1 3.07Å; R1311-E1314 PolarHBondContact O-N 3.11Å; E1314-V1358 HydrophobicContact CB-CG2 3.53Å; E1314-V1358 HydrophobicContact CG-CG2 4.43Å; E1314-V1358 WeakPolarHBondContact OE2-CG2 3.26Å; E1314-R1361 IonicContact OE1-CZ 3.75Å; E1314-R1361 IonicContact OE1-NH1 3.93Å; E1314-R1361 PolarHBondContact OE1-NH1 2.83Å; E1314-R1361 IonicContact OE1-NH2 2.72Å; E1314-R1361 IonicContact OE2-CZ 3.4Å; E1314-R1361 IonicContact OE2-NH1 2.64Å; E1314-R1361 PolarHBondContact OE2-NH1 2.86Å; E1314-R1361 IonicContact OE2-NH2 3.64Å; E1314-R1361 PolarHBondContact OE2-NH2 2.63Å | ||
| 1315 | R | 75.5 | Confident | 77.6 | Confident | 126 Ų | 126 | 56.8 Ų | 56.8 | 48% | 0.475 | 31% | 0.31 | S | S | . | . | trans | -94.2 | 148.8 | 175.9 | -64.4 | 176 | 174.7 | -176.8 | -2.1 | 111.3 | G1317 V1358 | R1315-G1317 VanDerWaalsContact C-N 3.32Å; R1315-G1317 PolarHBondContact O-N 2.65Å; R1315-V1358 VanDerWaalsContact O-CG2 3.29Å; R1315-V1358 WeakPolarHBondContact O-CG2 3.24Å; R1315-V1358 PolarHBondContact O-N 2.88Å | ||
| 1316 | Y | 81.7 | Confident | 75.3 | Confident | 3 Ų | 3 | 56.2 Ų | 56.2 | 1% | 0.012 | 32% | 0.317 | C | S | . | . | trans | -60.4 | -41.9 | 174.6 | -68.3 | -65.8 | 0 | 0 | 0 | 112.1 | K1310 G1357 V1358 I1359 S1394 T1397 L1398 | K1310-Y1316 HydrophobicContact CB-CE1 4.17Å; K1310-Y1316 HydrophobicContact CD-CD2 4.47Å; K1310-Y1316 HydrophobicContact CD-CE1 4.22Å; K1310-Y1316 HydrophobicContact CD-CE2 3.91Å; K1310-Y1316 HydrophobicContact CG-CE1 4.14Å; Y1316-G1357 CarbonylContact O-C 3.49Å; Y1316-G1357 WeakPolarHBondContact O-CA 3.28Å; Y1316-V1358 PolarHBondContact O-N 3.31Å; Y1316-V1358 VanDerWaalsContact O-N 3.12Å; Y1316-I1359 WeakPolarHBondContact O-CB 3.3Å; Y1316-I1359 VanDerWaalsContact O-CG1 3.27Å; Y1316-I1359 WeakPolarHBondContact O-CG1 3.34Å; Y1316-I1359 PolarHBondContact O-N 2.81Å; Y1316-S1394 WeakPolarHBondContact CE2-O 3.29Å; Y1316-S1394 PolarHBondContact OH-O 3.26Å; Y1316-T1397 PolarHBondContact OH-N 3.08Å; Y1316-T1397 PolarHBondContact OH-O 2.84Å; Y1316-L1398 HydrophobicContact CD1-CB 4.22Å; Y1316-L1398 HydrophobicContact CD1-CD2 4.2Å; Y1316-L1398 HydrophobicContact CE1-CB 3.59Å; Y1316-L1398 HydrophobicContact CE1-CD2 4.41Å | ||
| 1317 | G | 83.1 | Confident | 72.8 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | trans | 71.2 | 58.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R1315 S1354 | R1315-G1317 VanDerWaalsContact C-N 3.32Å; R1315-G1317 PolarHBondContact O-N 2.65Å; G1317-S1354 PolarHBondContact O-N 3.29Å | ||
| 1318 | L | 82.2 | Confident | 70.2 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 146.6 | -176.1 | -172.5 | 67.5 | 0 | 0 | 0 | 109.4 | V1320 V1350 V1353 I1359 L1365 F1391 I1443 | L1318-V1320 HydrophobicContact CD2-CG1 4.27Å; L1318-V1320 HydrophobicContact CG-CG1 4.36Å; L1318-V1350 HydrophobicContact CD1-CB 4.41Å; L1318-V1350 HydrophobicContact CD1-CG1 3.4Å; L1318-V1350 VanDerWaalsContact CD1-CG1 3.4Å; L1318-V1350 HydrophobicContact CD1-CG2 4.13Å; L1318-V1350 HydrophobicContact CG-CG1 4.49Å; L1318-V1353 HydrophobicContact CD1-CG2 3.94Å; L1318-I1359 HydrophobicContact CB-CG1 4.34Å; L1318-I1359 HydrophobicContact CD1-CG2 4.32Å; L1318-L1365 HydrophobicContact CD1-CD2 3.66Å; L1318-L1365 HydrophobicContact CD2-CD2 3.8Å; L1318-L1365 HydrophobicContact CG-CD2 4.42Å; L1318-F1391 HydrophobicContact CD2-CE1 3.72Å; L1318-F1391 HydrophobicContact CD2-CZ 3.51Å; L1318-I1443 HydrophobicContact CB-CD1 4.23Å |
| 1319 | R | 80.6 | Confident | 67.7 | Low | 84 Ų | 84 | 63.7 Ų | 63.7 | 32% | 0.317 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.8 | 162.2 | -66.4 | 179 | -162.9 | -165 | 5.5 | 109.9 | T1351 W1352 | R1319-T1351 VanDerWaalsContact CB-OG1 3.23Å; R1319-T1351 WeakPolarHBondContact CB-OG1 3.07Å; R1319-T1351 PolarHBondContact O-N 2.9Å; R1319-T1351 PolarHBondContact O-OG1 2.74Å; R1319-W1352 HydrophobicContact CB-CB 4.19Å; R1319-W1352 HydrophobicContact CG-CB 4.49Å; R1319-W1352 HydrophobicContact CG-CE3 3.94Å; R1319-W1352 PolarHBondContact N-O 3.35Å |
| 1320 | V | 84.2 | Confident | 65.4 | Low | 9 Ų | 9 | 62.9 Ų | 62.9 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 160.3 | -179 | -67.1 | 0 | 0 | 0 | 0 | 110.7 | L1318 I1348 F1349 V1350 L1371 L1384 V1387 F1391 | L1318-V1320 HydrophobicContact CD2-CG1 4.27Å; L1318-V1320 HydrophobicContact CG-CG1 4.36Å; V1320-I1348 HydrophobicContact CB-CG2 4.15Å; V1320-I1348 HydrophobicContact CG1-CG2 4.39Å; V1320-F1349 CarbonylContact C-O 3.56Å; V1320-F1349 WeakPolarHBondContact CA-O 3.17Å; V1320-V1350 HydrophobicContact CG1-CG2 4.49Å; V1320-L1371 HydrophobicContact CG1-CD1 3.64Å; V1320-L1384 HydrophobicContact CG2-CD1 4.01Å; V1320-V1387 HydrophobicContact CG2-CG1 4.22Å; V1320-F1391 HydrophobicContact CG1-CE2 4.15Å; V1320-F1391 HydrophobicContact CG1-CZ 4.38Å; V1320-F1391 HydrophobicContact CG2-CE2 4.31Å |
| 1321 | T | 80.8 | Confident | 63.1 | Low | 37 Ų | 37 | 67.3 Ų | 67.3 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 174.2 | 174.7 | -161.8 | 0 | 0 | 0 | 0 | 110.7 | I1348 F1349 T1351 F1409 | T1321-I1348 WeakPolarHBondContact O-CA 3.16Å; T1321-F1349 HydrophobicContact CG2-CB 4.22Å; T1321-F1349 PolarHBondContact N-O 2.99Å; T1321-F1349 PolarHBondContact O-N 3.29Å; T1321-T1351 HydrophobicContact CG2-CG2 3.45Å; T1321-T1351 VanDerWaalsContact CG2-CG2 3.45Å; T1321-F1409 HydrophobicContact CG2-CE2 3.66Å; T1321-F1409 HydrophobicContact CG2-CZ 3.7Å |
| 1322 | G | 76 | Confident | 60.9 | Low | 30 Ų | 30 | 64.9 Ų | 64.9 | 31% | 0.309 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 89.2 | -159.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1347 | G1322-G1347 CarbonylContact C-O 3.14Å; G1322-G1347 WeakPolarHBondContact CA-O 3.4Å |
| 1323 | G | 71.5 | Confident | 59 | Low | 9 Ų | 9 | 62.3 Ų | 62.3 | 9% | 0.093 | 36% | 0.362 | C | S | . | . | trans | 92.5 | 171.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1325 G1347 I1348 V1382 | G1323-N1325 PolarHBondContact O-N 3.14Å; G1323-G1347 PolarHBondContact N-O 3.03Å; G1323-I1348 VanDerWaalsContact CA-CD1 3.47Å; G1323-V1382 VanDerWaalsContact CA-O 3.3Å; G1323-V1382 WeakPolarHBondContact CA-O 3.18Å | ||
| 1324 | L | 64.4 | Low | 57.4 | Low | 72 Ų | 72 | 65.3 Ų | 65.3 | 38% | 0.377 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -64.7 | 131.1 | -171.2 | -112.1 | 108.8 | 0 | 0 | 0 | 113.1 | T1326 D1346 V1382 | L1324-T1326 PolarHBondContact O-N 3.45Å; L1324-D1346 HydrophobicContact CD1-CB 3.87Å; L1324-D1346 HydrophobicContact CG-CB 4.36Å; L1324-V1382 PolarHBondContact N-O 3.09Å; L1324-V1382 VanDerWaalsContact N-O 3.08Å |
| 1325 | N | 53.4 | Low | 55.4 | Low | 125 Ų | 125 | 68 Ų | 68 | 67% | 0.668 | 37% | 0.374 | S | S | * | . | trans | -63.4 | 97.7 | -174.2 | -84.6 | -40.7 | 0 | 0 | 0 | 114.2 | G1323 S1327 | G1323-N1325 PolarHBondContact O-N 3.14Å; N1325-S1327 PolarHBondContact O-N 2.91Å | ||
| 1326 | T | 37.2 | Very low | 53.1 | Low | 81 Ų | 81 | 64.5 Ų | 64.5 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | trans | -90.7 | 84.3 | 166.3 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | S804 L1324 D1328 T1383 | S804-T1326 PolarHBondContact OG-O 3.1Å; L1324-T1326 PolarHBondContact O-N 3.45Å; T1326-D1328 VanDerWaalsContact C-N 3.25Å; T1326-D1328 PolarHBondContact O-N 3.35Å; T1326-T1383 HydrophobicContact CG2-CG2 3.66Å | ||
| 1327 | S | 33.7 | Very low | 50.5 | Low | 79 Ų | 79 | 69.7 Ų | 69.7 | 55% | 0.552 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 48.2 | 5.8 | 152.9 | 53.3 | 0 | 0 | 0 | 0 | 122.1 | S804 N1325 | S804-S1327 WeakPolarHBondContact CB-OG 3.26Å; S804-S1327 WeakPolarHBondContact OG-CB 3.48Å; S804-S1327 PolarHBondContact OG-O 2.81Å; S804-S1327 PolarHBondContact OG-OG 3.19Å; N1325-S1327 PolarHBondContact O-N 2.91Å |
| 1328 | D | 33.1 | Very low | 48.1 | Very low | 71 Ų | 71 | 74.4 Ų | 74.4 | 38% | 0.38 | 44% | 0.435 | S | S | . | . | trans | -103.3 | 78.2 | 175.5 | -76.6 | -47.4 | 0 | 0 | 0 | 111.8 | I803 S804 T1326 N1330 | I803-D1328 WeakPolarHBondContact CA-OD1 3.33Å; I803-D1328 PolarHBondContact N-OD1 3.38Å; S804-D1328 VanDerWaalsContact CB-OD2 3.31Å; S804-D1328 WeakPolarHBondContact CB-OD2 3.24Å; S804-D1328 PolarHBondContact N-OD1 3.35Å; S804-D1328 PolarHBondContact OG-N 3.34Å; S804-D1328 PolarHBondContact OG-OD1 3.49Å; S804-D1328 PolarHBondContact OG-OD2 3.01Å; T1326-D1328 VanDerWaalsContact C-N 3.25Å; T1326-D1328 PolarHBondContact O-N 3.35Å; D1328-N1330 PolarHBondContact O-N 3.15Å | ||
| 1329 | S | 31.9 | Very low | 45.8 | Very low | 86 Ų | 86 | 77.8 Ų | 77.8 | 60% | 0.601 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | 17.5 | 178.4 | -165.5 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1330 | N | 33.2 | Very low | 43.5 | Very low | 66 Ų | 66 | 78.3 Ų | 78.3 | 35% | 0.353 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.7 | 14 | -172.2 | -141.9 | 23.1 | 0 | 0 | 0 | 114.5 | Y801 D1328 T1333 | Y801-N1330 WeakPolarHBondContact CB-ND2 3.15Å; Y801-N1330 WeakPolarHBondContact O-CB 3.24Å; Y801-N1330 VanDerWaalsContact O-CG 3.29Å; Y801-N1330 PolarHBondContact O-ND2 3.49Å; D1328-N1330 PolarHBondContact O-N 3.15Å; N1330-T1333 PolarHBondContact O-OG1 2.96Å; N1330-T1333 PolarHBondContact OD1-OG1 2.74Å |
| 1331 | M | 32.5 | Very low | 41.3 | Very low | 115 Ų | 115 | 81.4 Ų | 81.4 | 57% | 0.567 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -103.7 | -16.7 | 168 | -75.4 | -98 | 176.4 | 0 | 0 | 112.8 | T1439 | M1331-T1439 HydrophobicContact CE-CG2 3.93Å; M1331-T1439 HydrophobicContact SD-CG2 3.91Å |
| 1332 | I | 33.1 | Very low | 39.6 | Very low | 104 Ų | 104 | 81.4 Ų | 81.4 | 53% | 0.533 | 49% | 0.485 | S | S | . | . | S | Bend | trans | -89.4 | -20.8 | 176.4 | -58.3 | 175.5 | 0 | 0 | 0 | 110.8 | N1334 L1335 | I1332-N1334 PolarHBondContact O-N 3.26Å; I1332-L1335 PolarHBondContact O-N 3.33Å; I1332-L1335 VanDerWaalsContact O-N 3.1Å |
| 1333 | T | 31.3 | Very low | 37.9 | Very low | 84 Ų | 84 | 83 Ų | 83 | 52% | 0.515 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -5 | -178.4 | 46.2 | 0 | 0 | 0 | 0 | 115.7 | N1330 | N1330-T1333 PolarHBondContact O-OG1 2.96Å; N1330-T1333 PolarHBondContact OD1-OG1 2.74Å |
| 1334 | N | 33.4 | Very low | 36.9 | Very low | 144 Ų | 144 | 88.9 Ų | 88.9 | 77% | 0.77 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110 | 10.8 | 174.4 | -78.2 | -74.9 | 0 | 0 | 0 | 113.6 | I1332 | I1332-N1334 PolarHBondContact O-N 3.26Š|
| 1335 | L | 30.8 | Very low | 36.8 | Very low | 101 Ų | 101 | 86.6 Ų | 86.6 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -131.4 | 102.7 | 168 | -82.9 | 158.9 | 0 | 0 | 0 | 105.6 | I1332 Y1339 | I1332-L1335 PolarHBondContact O-N 3.33Å; I1332-L1335 VanDerWaalsContact O-N 3.1Å; L1335-Y1339 HydrophobicContact CB-CE2 3.95Å |
| 1336 | G | 27.7 | Very low | 37.5 | Very low | 52 Ų | 52 | 83.2 Ų | 83.2 | 54% | 0.536 | 50% | 0.495 | S | S | . | . | trans | -57.4 | -179.2 | -156.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | H1338 Y1339 | G1336-H1338 PolarHBondContact O-N 3.37Å; G1336-Y1339 VanDerWaalsContact O-CD2 3.22Å; G1336-Y1339 WeakPolarHBondContact O-CD2 3.44Å | ||
| 1337 | S | 27.4 | Very low | 39.4 | Very low | 111 Ų | 111 | 79.3 Ų | 79.3 | 78% | 0.776 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -53.2 | 10.3 | -167.3 | 36.7 | 0 | 0 | 0 | 0 | 119.3 | ||
| 1338 | H | 31.9 | Very low | 41.8 | Very low | 102 Ų | 102 | 75.6 Ų | 75.6 | 47% | 0.472 | 45% | 0.445 | S | S | . | . | trans | -99.7 | 21.4 | -170 | -59.7 | -70.8 | 0 | 0 | 0 | 115.8 | G1336 | G1336-H1338 PolarHBondContact O-N 3.37Š| ||
| 1339 | Y | 33.8 | Very low | 44.4 | Very low | 72 Ų | 72 | 72.5 Ų | 72.5 | 28% | 0.282 | 43% | 0.428 | S | S | . | . | trans | -113.1 | 25.8 | -172.2 | -65.7 | -75 | 0 | 0 | 0 | 115.7 | L1335 G1336 S1341 L1342 | L1335-Y1339 HydrophobicContact CB-CE2 3.95Å; G1336-Y1339 VanDerWaalsContact O-CD2 3.22Å; G1336-Y1339 WeakPolarHBondContact O-CD2 3.44Å; Y1339-S1341 VanDerWaalsContact C-N 3.31Å; Y1339-S1341 PolarHBondContact O-N 3.16Å; Y1339-L1342 HydrophobicContact CD1-CD1 3.89Å; Y1339-L1342 PolarHBondContact O-N 3.17Å | ||
| 1340 | S | 32.4 | Very low | 47 | Very low | 95 Ų | 95 | 68.4 Ų | 68.4 | 66% | 0.664 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -59.2 | -36.3 | 179.7 | 54.8 | 0 | 0 | 0 | 0 | 114 | L1342 | S1340-L1342 VanDerWaalsContact C-N 3.27Å; S1340-L1342 PolarHBondContact O-N 3.44Å |
| 1341 | S | 38.7 | Very low | 49.4 | Very low | 74 Ų | 74 | 66.7 Ų | 66.7 | 52% | 0.517 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -58.1 | -32 | 176 | 170.6 | 0 | 0 | 0 | 0 | 114.1 | Y1339 E1408 | Y1339-S1341 VanDerWaalsContact C-N 3.31Å; Y1339-S1341 PolarHBondContact O-N 3.16Å; S1341-E1408 WeakPolarHBondContact CB-OE2 3.31Å; S1341-E1408 PolarHBondContact OG-OE1 3.33Å; S1341-E1408 PolarHBondContact OG-OE2 3.06Å |
| 1342 | L | 44.1 | Very low | 51.7 | Low | 36 Ų | 36 | 64.8 Ų | 64.8 | 19% | 0.188 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -98.1 | -7.3 | -169 | -85.2 | 152.4 | 0 | 0 | 0 | 114.6 | Y1339 S1340 N1344 D1345 F1349 P1406 | Y1339-L1342 HydrophobicContact CD1-CD1 3.89Å; Y1339-L1342 PolarHBondContact O-N 3.17Å; S1340-L1342 VanDerWaalsContact C-N 3.27Å; S1340-L1342 PolarHBondContact O-N 3.44Å; L1342-N1344 PolarHBondContact O-N 3.48Å; L1342-D1345 HydrophobicContact CD2-CB 4.4Å; L1342-D1345 PolarHBondContact O-N 2.92Å; L1342-D1345 VanDerWaalsContact O-N 3.16Å; L1342-F1349 HydrophobicContact CD2-CE2 4.44Å; L1342-P1406 HydrophobicContact CD2-CG 3.94Å |
| 1343 | A | 40.4 | Very low | 54.1 | Low | 65 Ų | 65 | 60.9 Ų | 60.9 | 54% | 0.537 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -15.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 1344 | N | 49.5 | Very low | 56.4 | Low | 132 Ų | 132 | 57.6 Ų | 57.6 | 71% | 0.706 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.8 | 13 | -178.4 | -68.1 | -34.2 | 0 | 0 | 0 | 113.9 | L1342 | L1342-N1344 PolarHBondContact O-N 3.48Š|
| 1345 | D | 62.7 | Low | 58.6 | Low | 24 Ų | 24 | 55.6 Ų | 55.6 | 13% | 0.128 | 33% | 0.334 | C | S | . | . | trans | -114.3 | 92.9 | -175.9 | -165.3 | -4.4 | 0 | 0 | 0 | 111.9 | L1232 L1342 G1347 R1370 | L1232-D1345 HydrophobicContact CD1-CB 4.24Å; L1342-D1345 HydrophobicContact CD2-CB 4.4Å; L1342-D1345 PolarHBondContact O-N 2.92Å; L1342-D1345 VanDerWaalsContact O-N 3.16Å; D1345-G1347 PolarHBondContact O-N 3.12Å; D1345-G1347 PolarHBondContact OD1-N 3.46Å; D1345-R1370 IonicContact OD1-CZ 3.61Å; D1345-R1370 IonicContact OD1-NH1 3.81Å; D1345-R1370 PolarHBondContact OD1-NH1 2.76Å; D1345-R1370 IonicContact OD1-NH2 3.2Å; D1345-R1370 PolarHBondContact OD1-NH2 3.38Å; D1345-R1370 IonicContact OD2-CZ 2.73Å; D1345-R1370 IonicContact OD2-NH1 3.51Å; D1345-R1370 PolarHBondContact OD2-NH1 2.97Å; D1345-R1370 IonicContact OD2-NH2 2.81Å; D1345-R1370 PolarHBondContact OD2-NH2 3.35Å | ||
| 1346 | D | 69 | Low | 60.8 | Low | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.283 | 35% | 0.35 | S | S | . | . | trans | -66.5 | 22.5 | 178.1 | -60.2 | -41.1 | 0 | 0 | 0 | 114.3 | L1324 | L1324-D1346 HydrophobicContact CD1-CB 3.87Å; L1324-D1346 HydrophobicContact CG-CB 4.36Å | ||
| 1347 | G | 76.1 | Confident | 63.4 | Low | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -72.7 | 155.1 | -180 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1322 G1323 D1345 F1349 | G1322-G1347 CarbonylContact C-O 3.14Å; G1322-G1347 WeakPolarHBondContact CA-O 3.4Å; G1323-G1347 PolarHBondContact N-O 3.03Å; D1345-G1347 PolarHBondContact O-N 3.12Å; D1345-G1347 PolarHBondContact OD1-N 3.46Å; G1347-F1349 WeakPolarHBondContact O-CE2 3.35Å | ||
| 1348 | I | 84.7 | Confident | 66.1 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 127.4 | 170.4 | -59.6 | -59.9 | 0 | 0 | 0 | 108.9 | V1320 T1321 G1323 R1370 L1371 L1379 V1387 | V1320-I1348 HydrophobicContact CB-CG2 4.15Å; V1320-I1348 HydrophobicContact CG1-CG2 4.39Å; T1321-I1348 WeakPolarHBondContact O-CA 3.16Å; G1323-I1348 VanDerWaalsContact CA-CD1 3.47Å; I1348-R1370 CarbonylContact O-C 3.58Å; I1348-R1370 VanDerWaalsContact O-CA 3.27Å; I1348-R1370 WeakPolarHBondContact O-CA 3.24Å; I1348-R1370 WeakPolarHBondContact O-CG 3.26Å; I1348-L1371 HydrophobicContact CB-CB 4.29Å; I1348-L1371 HydrophobicContact CG2-CB 4.06Å; I1348-L1371 HydrophobicContact CG2-CD1 4.07Å; I1348-L1371 HydrophobicContact CG2-CG 4.31Å; I1348-L1371 PolarHBondContact O-N 3.05Å; I1348-L1379 HydrophobicContact CB-CD1 4.06Å; I1348-L1379 HydrophobicContact CG1-CB 3.96Å; I1348-L1379 HydrophobicContact CG1-CD1 4.12Å; I1348-L1379 HydrophobicContact CG2-CD1 4.1Å; I1348-V1387 HydrophobicContact CD1-CG2 3.67Å; I1348-V1387 HydrophobicContact CG1-CG2 3.78Å; I1348-V1387 HydrophobicContact CG2-CG1 4.15Å |
| 1349 | F | 87.5 | Confident | 68.6 | Low | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 143.9 | -174.2 | -51.6 | -82.3 | 0 | 0 | 0 | 112.7 | V1320 T1321 L1342 G1347 T1351 D1369 R1370 P1406 F1409 | V1320-F1349 CarbonylContact C-O 3.56Å; V1320-F1349 WeakPolarHBondContact CA-O 3.17Å; T1321-F1349 HydrophobicContact CG2-CB 4.22Å; T1321-F1349 PolarHBondContact N-O 2.99Å; T1321-F1349 PolarHBondContact O-N 3.29Å; L1342-F1349 HydrophobicContact CD2-CE2 4.44Å; G1347-F1349 WeakPolarHBondContact O-CE2 3.35Å; F1349-T1351 PolarHBondContact O-N 3.35Å; F1349-D1369 CarbonylContact C-O 3.6Å; F1349-D1369 WeakPolarHBondContact CA-O 3.39Å; F1349-R1370 HydrophobicContact CD1-CB 3.78Å; F1349-R1370 HydrophobicContact CD1-CG 4.01Å; F1349-R1370 HydrophobicContact CE1-CB 3.78Å; F1349-R1370 HydrophobicContact CE1-CG 3.71Å; F1349-R1370 HydrophobicContact CZ-CG 4.44Å; F1349-P1406 HydrophobicContact CE1-CG 4.19Å; F1349-P1406 HydrophobicContact CZ-CG 4.36Å; F1349-F1409 HydrophobicContact CB-CD1 3.87Å; F1349-F1409 HydrophobicContact CB-CE1 3.36Å; F1349-F1409 HydrophobicContact CB-CE2 4.34Å; F1349-F1409 HydrophobicContact CB-CZ 3.62Å; F1349-F1409 HydrophobicContact CD1-CD1 4.49Å; F1349-F1409 HydrophobicContact CG-CD1 4.32Å; F1349-F1409 HydrophobicContact CG-CE1 4.26Å |
| 1350 | V | 86.8 | Confident | 71 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 113.1 | 176.7 | 178.5 | 0 | 0 | 0 | 0 | 110.1 | L1318 V1320 V1353 L1365 K1366 P1367 G1368 D1369 L1371 F1409 | L1318-V1350 HydrophobicContact CD1-CB 4.41Å; L1318-V1350 HydrophobicContact CD1-CG1 3.4Å; L1318-V1350 VanDerWaalsContact CD1-CG1 3.4Å; L1318-V1350 HydrophobicContact CD1-CG2 4.13Å; L1318-V1350 HydrophobicContact CG-CG1 4.49Å; V1320-V1350 HydrophobicContact CG1-CG2 4.49Å; V1350-V1353 HydrophobicContact CG1-CG2 4.02Å; V1350-L1365 HydrophobicContact CG2-CD1 4.37Å; V1350-L1365 HydrophobicContact CG2-CD2 3.96Å; V1350-L1365 HydrophobicContact CG2-CG 4.1Å; V1350-K1366 VanDerWaalsContact CB-O 3.32Å; V1350-K1366 WeakPolarHBondContact CB-O 3.28Å; V1350-K1366 VanDerWaalsContact CG1-O 3.29Å; V1350-K1366 WeakPolarHBondContact CG1-O 3.42Å; V1350-P1367 CarbonylContact O-C 3.53Å; V1350-P1367 VanDerWaalsContact O-CA 3.3Å; V1350-P1367 WeakPolarHBondContact O-CA 3.4Å; V1350-G1368 PolarHBondContact O-N 2.98Å; V1350-D1369 HydrophobicContact CB-CB 4.36Å; V1350-D1369 HydrophobicContact CG2-CB 4.04Å; V1350-D1369 PolarHBondContact N-O 3.43Å; V1350-L1371 HydrophobicContact CG2-CD1 4.18Å; V1350-L1371 HydrophobicContact CG2-CD2 3.8Å; V1350-L1371 HydrophobicContact CG2-CG 3.98Å; V1350-F1409 WeakPolarHBondContact O-CE1 3.3Å |
| 1351 | T | 83.6 | Confident | 73.4 | Confident | 29 Ų | 29 | 45.7 Ų | 45.7 | 18% | 0.178 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -35.7 | 177.6 | 45 | 0 | 0 | 0 | 0 | 113.1 | R1319 T1321 F1349 F1409 M1440 | R1319-T1351 VanDerWaalsContact CB-OG1 3.23Å; R1319-T1351 WeakPolarHBondContact CB-OG1 3.07Å; R1319-T1351 PolarHBondContact O-N 2.9Å; R1319-T1351 PolarHBondContact O-OG1 2.74Å; T1321-T1351 HydrophobicContact CG2-CG2 3.45Å; T1321-T1351 VanDerWaalsContact CG2-CG2 3.45Å; F1349-T1351 PolarHBondContact O-N 3.35Å; T1351-F1409 HydrophobicContact CG2-CE2 4.18Å; T1351-F1409 HydrophobicContact CG2-CZ 3.7Å; T1351-M1440 HydrophobicContact CG2-CE 4.45Å |
| 1352 | W | 80.5 | Confident | 75.7 | Confident | 76 Ų | 76 | 44.4 Ų | 44.4 | 29% | 0.288 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 147 | -173.2 | -177.1 | 71.9 | 0 | 0 | 0 | 112.1 | R1319 | R1319-W1352 HydrophobicContact CB-CB 4.19Å; R1319-W1352 HydrophobicContact CG-CB 4.49Å; R1319-W1352 HydrophobicContact CG-CE3 3.94Å; R1319-W1352 PolarHBondContact N-O 3.35Å |
| 1353 | V | 83.6 | Confident | 77.6 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 13% | 0.127 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 121.6 | 173.3 | 177.9 | 0 | 0 | 0 | 0 | 107.6 | L1318 V1350 I1359 A1360 P1367 | L1318-V1353 HydrophobicContact CD1-CG2 3.94Å; V1350-V1353 HydrophobicContact CG1-CG2 4.02Å; V1353-I1359 HydrophobicContact CG1-CB 4.09Å; V1353-I1359 HydrophobicContact CG1-CG2 3.72Å; V1353-I1359 HydrophobicContact CG2-CG2 4.08Å; V1353-A1360 HydrophobicContact CG1-CB 3.92Å; V1353-P1367 HydrophobicContact CG2-CG 4.37Å |
| 1354 | S | 79.8 | Confident | 79.8 | Confident | 16 Ų | 16 | 45.6 Ų | 45.6 | 11% | 0.112 | 24% | 0.242 | C | C | . | . | trans | -70.5 | 128.2 | 179.3 | -176.7 | 0 | 0 | 0 | 0 | 110.2 | G1317 D1356 G1357 A1360 | G1317-S1354 PolarHBondContact O-N 3.29Å; S1354-D1356 PolarHBondContact O-N 3.15Å; S1354-D1356 VanDerWaalsContact O-N 3.17Å; S1354-G1357 WeakPolarHBondContact O-CA 3.3Å; S1354-G1357 PolarHBondContact O-N 2.98Å; S1354-A1360 WeakPolarHBondContact O-CB 3.24Å | ||
| 1355 | P | 79.5 | Confident | 81.6 | Confident | 102 Ų | 102 | 39.4 Ų | 39.4 | 66% | 0.662 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | -32.2 | -178.9 | -27.9 | 35.6 | 0 | 0 | 0 | 114.6 | G1357 A1360 | P1355-G1357 VanDerWaalsContact C-N 3.32Å; P1355-A1360 WeakPolarHBondContact O-CB 3.3Å |
| 1356 | D | 77.6 | Confident | 82.8 | Confident | 162 Ų | 162 | 39.4 Ų | 39.4 | 87% | 0.866 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | 0.6 | 178.2 | -61.3 | -44.2 | 0 | 0 | 0 | 113.1 | S1354 | S1354-D1356 PolarHBondContact O-N 3.15Å; S1354-D1356 VanDerWaalsContact O-N 3.17Å |
| 1357 | G | 81.1 | Confident | 83.5 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -76.8 | 153.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | Y1316 S1354 P1355 I1359 A1360 R1361 | Y1316-G1357 CarbonylContact O-C 3.49Å; Y1316-G1357 WeakPolarHBondContact O-CA 3.28Å; S1354-G1357 WeakPolarHBondContact O-CA 3.3Å; S1354-G1357 PolarHBondContact O-N 2.98Å; P1355-G1357 VanDerWaalsContact C-N 3.32Å; G1357-I1359 PolarHBondContact O-N 3.11Å; G1357-A1360 PolarHBondContact O-N 3.3Å; G1357-A1360 VanDerWaalsContact O-N 3.12Å; G1357-R1361 PolarHBondContact O-N 3.24Å |
| 1358 | V | 83.7 | Confident | 83.8 | Confident | 5 Ų | 5 | 38.9 Ų | 38.9 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.9 | -31 | 171.6 | 177.8 | 0 | 0 | 0 | 0 | 111.5 | V1308 T1309 K1310 E1314 R1315 Y1316 R1361 D1362 | V1308-V1358 HydrophobicContact CG1-CG1 3.49Å; V1308-V1358 VanDerWaalsContact CG1-CG1 3.49Å; T1309-V1358 WeakPolarHBondContact O-CG1 3.36Å; K1310-V1358 HydrophobicContact CB-CG1 4.39Å; K1310-V1358 HydrophobicContact CB-CG2 3.85Å; E1314-V1358 HydrophobicContact CB-CG2 3.53Å; E1314-V1358 HydrophobicContact CG-CG2 4.43Å; E1314-V1358 WeakPolarHBondContact OE2-CG2 3.26Å; R1315-V1358 VanDerWaalsContact O-CG2 3.29Å; R1315-V1358 WeakPolarHBondContact O-CG2 3.24Å; R1315-V1358 PolarHBondContact O-N 2.88Å; Y1316-V1358 PolarHBondContact O-N 3.31Å; Y1316-V1358 VanDerWaalsContact O-N 3.12Å; V1358-R1361 PolarHBondContact O-N 2.95Å; V1358-D1362 WeakPolarHBondContact O-CB 3.25Å; V1358-D1362 PolarHBondContact O-N 3Å |
| 1359 | I | 86.1 | Confident | 84 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.3 | -40.5 | 175.5 | -63.1 | -68.1 | 0 | 0 | 0 | 112 | V1308 Y1316 L1318 V1353 G1357 R1361 D1362 G1363 L1365 L1398 | V1308-I1359 HydrophobicContact CB-CD1 4.35Å; V1308-I1359 HydrophobicContact CG1-CD1 4.16Å; V1308-I1359 HydrophobicContact CG2-CD1 4.03Å; Y1316-I1359 WeakPolarHBondContact O-CB 3.3Å; Y1316-I1359 VanDerWaalsContact O-CG1 3.27Å; Y1316-I1359 WeakPolarHBondContact O-CG1 3.34Å; Y1316-I1359 PolarHBondContact O-N 2.81Å; L1318-I1359 HydrophobicContact CB-CG1 4.34Å; L1318-I1359 HydrophobicContact CD1-CG2 4.32Å; V1353-I1359 HydrophobicContact CG1-CB 4.09Å; V1353-I1359 HydrophobicContact CG1-CG2 3.72Å; V1353-I1359 HydrophobicContact CG2-CG2 4.08Å; G1357-I1359 PolarHBondContact O-N 3.11Å; I1359-R1361 VanDerWaalsContact C-N 3.35Å; I1359-D1362 PolarHBondContact O-N 3.26Å; I1359-G1363 PolarHBondContact O-N 2.86Å; I1359-L1365 HydrophobicContact CD1-CD2 4.29Å; I1359-L1365 HydrophobicContact CG2-CB 3.69Å; I1359-L1365 HydrophobicContact CG2-CD2 4.02Å; I1359-L1365 HydrophobicContact CG2-CG 4.41Å; I1359-L1398 HydrophobicContact CD1-CD2 3.96Å |
| 1360 | A | 83.6 | Confident | 84.1 | Confident | 36 Ų | 36 | 39 Ų | 39 | 30% | 0.298 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.9 | -43 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | V1353 S1354 P1355 G1357 G1363 | V1353-A1360 HydrophobicContact CG1-CB 3.92Å; S1354-A1360 WeakPolarHBondContact O-CB 3.24Å; P1355-A1360 WeakPolarHBondContact O-CB 3.3Å; G1357-A1360 PolarHBondContact O-N 3.3Å; G1357-A1360 VanDerWaalsContact O-N 3.12Å; A1360-G1363 PolarHBondContact O-N 2.75Å |
| 1361 | R | 83.6 | Confident | 84.1 | Confident | 116 Ų | 116 | 39 Ų | 39 | 44% | 0.438 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62 | -41.7 | 175.3 | -178.2 | -177.8 | 70.8 | -161.4 | -1.1 | 113.2 | T1309 E1314 G1357 V1358 I1359 G1363 | T1309-R1361 PolarHBondContact O-NH2 2.73Å; E1314-R1361 IonicContact OE1-CZ 3.75Å; E1314-R1361 IonicContact OE1-NH1 3.93Å; E1314-R1361 PolarHBondContact OE1-NH1 2.83Å; E1314-R1361 IonicContact OE1-NH2 2.72Å; E1314-R1361 IonicContact OE2-CZ 3.4Å; E1314-R1361 IonicContact OE2-NH1 2.64Å; E1314-R1361 PolarHBondContact OE2-NH1 2.86Å; E1314-R1361 IonicContact OE2-NH2 3.64Å; E1314-R1361 PolarHBondContact OE2-NH2 2.63Å; G1357-R1361 PolarHBondContact O-N 3.24Å; V1358-R1361 PolarHBondContact O-N 2.95Å; I1359-R1361 VanDerWaalsContact C-N 3.35Å; R1361-G1363 VanDerWaalsContact C-N 3.35Å |
| 1362 | D | 86.3 | Confident | 84.2 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 25% | 0.246 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -68 | -38.4 | 178.8 | -176.2 | -92.6 | 0 | 0 | 0 | 111.7 | V1308 V1358 I1359 R1364 | V1308-D1362 HydrophobicContact CG1-CB 3.95Å; V1308-D1362 HydrophobicContact CG2-CB 4.2Å; V1358-D1362 WeakPolarHBondContact O-CB 3.25Å; V1358-D1362 PolarHBondContact O-N 3Å; I1359-D1362 PolarHBondContact O-N 3.26Å; D1362-R1364 VanDerWaalsContact C-N 3.34Å; D1362-R1364 VanDerWaalsContact CG-NH2 3.32Å; D1362-R1364 PolarHBondContact O-N 2.8Å; D1362-R1364 WeakPolarHBondContact OD1-CB 3.17Å; D1362-R1364 IonicContact OD1-CZ 3.18Å; D1362-R1364 PolarHBondContact OD1-N 3.07Å; D1362-R1364 IonicContact OD1-NE 3.8Å; D1362-R1364 PolarHBondContact OD1-NE 3.16Å; D1362-R1364 IonicContact OD1-NH2 3.17Å; D1362-R1364 PolarHBondContact OD1-NH2 2.82Å; D1362-R1364 IonicContact OD2-CZ 3.95Å; D1362-R1364 IonicContact OD2-NE 3.61Å; D1362-R1364 IonicContact OD2-NH2 3.73Å; D1362-R1364 PolarHBondContact OD2-NH2 3.26Å |
| 1363 | G | 82.9 | Confident | 84.4 | Confident | 25 Ų | 25 | 34.5 Ų | 34.5 | 26% | 0.258 | 19% | 0.188 | S | C | . | . | trans | 67.7 | 28.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K24 I1359 A1360 R1361 | K24-G1363 WeakPolarHBondContact CD-O 3.22Å; K24-G1363 WeakPolarHBondContact CE-O 3.5Å; K24-G1363 VanDerWaalsContact CG-O 3.3Å; K24-G1363 WeakPolarHBondContact CG-O 3.47Å; K24-G1363 PolarHBondContact NZ-O 2.8Å; I1359-G1363 PolarHBondContact O-N 2.86Å; A1360-G1363 PolarHBondContact O-N 2.75Å; R1361-G1363 VanDerWaalsContact C-N 3.35Å | ||
| 1364 | R | 88.1 | Confident | 84.5 | Confident | 101 Ų | 101 | 33.5 Ų | 33.5 | 38% | 0.381 | 18% | 0.182 | S | C | . | . | trans | -115.4 | -18.4 | 172.7 | -67.1 | 176.3 | -68.9 | 165.7 | -2.6 | 115.6 | R1304 I1306 T1307 D1362 | R1304-R1364 PolarHBondContact NH2-O 3.19Å; I1306-R1364 HydrophobicContact CD1-CB 4.01Å; I1306-R1364 HydrophobicContact CG1-CB 4.42Å; I1306-R1364 HydrophobicContact CG2-CB 4Å; T1307-R1364 PolarHBondContact O-NH2 3.07Å; D1362-R1364 VanDerWaalsContact C-N 3.34Å; D1362-R1364 VanDerWaalsContact CG-NH2 3.32Å; D1362-R1364 PolarHBondContact O-N 2.8Å; D1362-R1364 WeakPolarHBondContact OD1-CB 3.17Å; D1362-R1364 IonicContact OD1-CZ 3.18Å; D1362-R1364 PolarHBondContact OD1-N 3.07Å; D1362-R1364 IonicContact OD1-NE 3.8Å; D1362-R1364 PolarHBondContact OD1-NE 3.16Å; D1362-R1364 IonicContact OD1-NH2 3.17Å; D1362-R1364 PolarHBondContact OD1-NH2 2.82Å; D1362-R1364 IonicContact OD2-CZ 3.95Å; D1362-R1364 IonicContact OD2-NE 3.61Å; D1362-R1364 IonicContact OD2-NH2 3.73Å; D1362-R1364 PolarHBondContact OD2-NH2 3.26Å | ||
| 1365 | L | 87.5 | Confident | 84.6 | Confident | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | trans | -98.2 | 143.4 | 171 | -158.1 | 72.2 | 0 | 0 | 0 | 109.5 | K24 I1306 L1318 V1350 I1359 D1369 L1371 V1402 | K24-L1365 WeakPolarHBondContact CE-O 3.48Å; K24-L1365 PolarHBondContact NZ-O 2.85Å; I1306-L1365 HydrophobicContact CD1-CB 4.43Å; I1306-L1365 HydrophobicContact CD1-CD1 3.99Å; L1318-L1365 HydrophobicContact CD1-CD2 3.66Å; L1318-L1365 HydrophobicContact CD2-CD2 3.8Å; L1318-L1365 HydrophobicContact CG-CD2 4.42Å; V1350-L1365 HydrophobicContact CG2-CD1 4.37Å; V1350-L1365 HydrophobicContact CG2-CD2 3.96Å; V1350-L1365 HydrophobicContact CG2-CG 4.1Å; I1359-L1365 HydrophobicContact CD1-CD2 4.29Å; I1359-L1365 HydrophobicContact CG2-CB 3.69Å; I1359-L1365 HydrophobicContact CG2-CD2 4.02Å; I1359-L1365 HydrophobicContact CG2-CG 4.41Å; L1365-D1369 VanDerWaalsContact CA-OD2 3.29Å; L1365-D1369 WeakPolarHBondContact CA-OD2 3.23Å; L1365-D1369 HydrophobicContact CD1-CB 4.01Å; L1365-D1369 VanDerWaalsContact CD1-OD2 3.26Å; L1365-D1369 WeakPolarHBondContact CD1-OD2 3.13Å; L1365-L1371 HydrophobicContact CD1-CD2 3.84Å; L1365-L1371 HydrophobicContact CD2-CD2 4.35Å; L1365-V1402 HydrophobicContact CD1-CB 4.28Å; L1365-V1402 HydrophobicContact CD1-CG1 3.68Å; L1365-V1402 HydrophobicContact CD1-CG2 4.2Å | ||
| 1366 | K | 86.7 | Confident | 84.1 | Confident | 24 Ų | 24 | 32 Ų | 32 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | trans | -128.8 | 157.9 | 179.8 | -69.8 | -163 | 163.1 | -160.5 | 0 | 110.5 | H22 K24 A46 N47 V1350 D1369 | H22-K1366 HydrophobicContact CB-CD 4.49Å; K24-K1366 HydrophobicContact CD-CD 4.47Å; K24-K1366 HydrophobicContact CD-CG 4.06Å; A46-K1366 WeakPolarHBondContact O-CD 3.41Å; A46-K1366 WeakPolarHBondContact O-CE 3.28Å; A46-K1366 PolarHBondContact O-NZ 2.95Å; N47-K1366 PolarHBondContact O-NZ 3.42Å; N47-K1366 VanDerWaalsContact O-NZ 3.1Å; V1350-K1366 VanDerWaalsContact CB-O 3.32Å; V1350-K1366 WeakPolarHBondContact CB-O 3.28Å; V1350-K1366 VanDerWaalsContact CG1-O 3.29Å; V1350-K1366 WeakPolarHBondContact CG1-O 3.42Å; K1366-D1369 PolarHBondContact N-OD2 2.82Å; K1366-D1369 WeakPolarHBondContact O-CB 3.47Å; K1366-D1369 PolarHBondContact O-N 2.68Å | ||
| 1367 | P | 83.9 | Confident | 84 | Confident | 43 Ų | 43 | 29.5 Ų | 29.5 | 28% | 0.279 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 143.7 | 151.9 | -17.7 | 31.5 | 0 | 0 | 0 | 110.5 | V1350 V1353 I1413 | V1350-P1367 CarbonylContact O-C 3.53Å; V1350-P1367 VanDerWaalsContact O-CA 3.3Å; V1350-P1367 WeakPolarHBondContact O-CA 3.4Å; V1353-P1367 HydrophobicContact CG2-CG 4.37Å; P1367-I1413 HydrophobicContact CB-CD1 3.78Å; P1367-I1413 HydrophobicContact CB-CG2 3.9Å |
| 1368 | G | 82.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.2 | -16.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | H22 V1350 G1405 | H22-G1368 PolarHBondContact CE1-O 3.23Å; V1350-G1368 PolarHBondContact O-N 2.98Å; G1368-G1405 VanDerWaalsContact O-CA 3.26Å; G1368-G1405 WeakPolarHBondContact O-CA 3.22Å; G1368-G1405 PolarHBondContact O-N 2.77Å |
| 1369 | D | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 136 | 177.5 | -77.2 | -29.6 | 0 | 0 | 0 | 112.2 | H22 R1304 F1349 V1350 L1365 K1366 | H22-D1369 WeakPolarHBondContact CB-OD1 3.47Å; H22-D1369 IonicContact CG-OD1 3.05Å; H22-D1369 IonicContact ND1-OD1 3.36Å; H22-D1369 PolarHBondContact ND1-OD1 3.06Å; R1304-D1369 IonicContact CZ-OD1 2.86Å; R1304-D1369 IonicContact NH1-OD1 3.82Å; R1304-D1369 IonicContact NH2-OD1 2.7Å; R1304-D1369 PolarHBondContact NH2-OD1 3.42Å; R1304-D1369 IonicContact NH2-OD2 3.03Å; R1304-D1369 PolarHBondContact NH2-OD2 2.99Å; F1349-D1369 CarbonylContact C-O 3.6Å; F1349-D1369 WeakPolarHBondContact CA-O 3.39Å; V1350-D1369 HydrophobicContact CB-CB 4.36Å; V1350-D1369 HydrophobicContact CG2-CB 4.04Å; V1350-D1369 PolarHBondContact N-O 3.43Å; L1365-D1369 VanDerWaalsContact CA-OD2 3.29Å; L1365-D1369 WeakPolarHBondContact CA-OD2 3.23Å; L1365-D1369 HydrophobicContact CD1-CB 4.01Å; L1365-D1369 VanDerWaalsContact CD1-OD2 3.26Å; L1365-D1369 WeakPolarHBondContact CD1-OD2 3.13Å; K1366-D1369 PolarHBondContact N-OD2 2.82Å; K1366-D1369 WeakPolarHBondContact O-CB 3.47Å; K1366-D1369 PolarHBondContact O-N 2.68Å |
| 1370 | R | 89.3 | Confident | 82.8 | Confident | 10 Ų | 10 | 32.9 Ų | 32.9 | 4% | 0.038 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 123.4 | 166.5 | -174.6 | -166.6 | -62 | -118.7 | -7.9 | 110.3 | D1345 I1348 F1349 L1372 V1402 C1403 | D1345-R1370 IonicContact OD1-CZ 3.61Å; D1345-R1370 IonicContact OD1-NH1 3.81Å; D1345-R1370 PolarHBondContact OD1-NH1 2.76Å; D1345-R1370 IonicContact OD1-NH2 3.2Å; D1345-R1370 PolarHBondContact OD1-NH2 3.38Å; D1345-R1370 IonicContact OD2-CZ 2.73Å; D1345-R1370 IonicContact OD2-NH1 3.51Å; D1345-R1370 PolarHBondContact OD2-NH1 2.97Å; D1345-R1370 IonicContact OD2-NH2 2.81Å; D1345-R1370 PolarHBondContact OD2-NH2 3.35Å; I1348-R1370 CarbonylContact O-C 3.58Å; I1348-R1370 VanDerWaalsContact O-CA 3.27Å; I1348-R1370 WeakPolarHBondContact O-CA 3.24Å; I1348-R1370 WeakPolarHBondContact O-CG 3.26Å; F1349-R1370 HydrophobicContact CD1-CB 3.78Å; F1349-R1370 HydrophobicContact CD1-CG 4.01Å; F1349-R1370 HydrophobicContact CE1-CB 3.78Å; F1349-R1370 HydrophobicContact CE1-CG 3.71Å; F1349-R1370 HydrophobicContact CZ-CG 4.44Å; R1370-L1372 HydrophobicContact CG-CD2 4.18Å; R1370-V1402 CarbonylContact O-C 3.43Å; R1370-V1402 VanDerWaalsContact O-CA 3.25Å; R1370-V1402 WeakPolarHBondContact O-CA 3.46Å; R1370-V1402 WeakPolarHBondContact O-CB 3.5Å; R1370-C1403 WeakPolarHBondContact CA-O 3.49Å; R1370-C1403 PolarHBondContact N-O 3.05Å; R1370-C1403 PolarHBondContact O-N 3.47Å; R1370-C1403 VanDerWaalsContact O-O 3.07Å |
| 1371 | L | 88 | Confident | 81.9 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 128.4 | 173.4 | -52.6 | -175.9 | 0 | 0 | 0 | 110 | V1320 I1348 V1350 L1365 I1374 L1379 F1391 V1402 | V1320-L1371 HydrophobicContact CG1-CD1 3.64Å; I1348-L1371 HydrophobicContact CB-CB 4.29Å; I1348-L1371 HydrophobicContact CG2-CB 4.06Å; I1348-L1371 HydrophobicContact CG2-CD1 4.07Å; I1348-L1371 HydrophobicContact CG2-CG 4.31Å; I1348-L1371 PolarHBondContact O-N 3.05Å; V1350-L1371 HydrophobicContact CG2-CD1 4.18Å; V1350-L1371 HydrophobicContact CG2-CD2 3.8Å; V1350-L1371 HydrophobicContact CG2-CG 3.98Å; L1365-L1371 HydrophobicContact CD1-CD2 3.84Å; L1365-L1371 HydrophobicContact CD2-CD2 4.35Å; L1371-I1374 HydrophobicContact CD1-CD1 4.09Å; L1371-L1379 HydrophobicContact CB-CD1 3.48Å; L1371-L1379 VanDerWaalsContact CB-CD1 3.48Å; L1371-F1391 HydrophobicContact CD1-CE2 4.32Å; L1371-F1391 HydrophobicContact CD1-CZ 3.97Å; L1371-V1402 HydrophobicContact CD2-CB 4.28Å; L1371-V1402 HydrophobicContact CD2-CG1 3.39Å |
| 1372 | L | 84.7 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | -36.1 | 179.9 | -61.7 | -177.9 | 0 | 0 | 0 | 112.9 | P1233 L1303 R1370 W1378 L1379 M1380 V1401 C1403 | P1233-L1372 HydrophobicContact CG-CD1 4.27Å; P1233-L1372 HydrophobicContact CG-CD2 3.93Å; L1303-L1372 HydrophobicContact CD1-CD1 3.69Å; R1370-L1372 HydrophobicContact CG-CD2 4.18Å; L1372-W1378 HydrophobicContact CB-CH2 3.77Å; L1372-W1378 HydrophobicContact CB-CZ2 4.16Å; L1372-W1378 HydrophobicContact CB-CZ3 4.03Å; L1372-W1378 HydrophobicContact CD1-CH2 4.22Å; L1372-W1378 CarbonylContact O-C 3.49Å; L1372-W1378 WeakPolarHBondContact O-CA 3.2Å; L1372-W1378 VanDerWaalsContact O-CD2 3.28Å; L1372-W1378 VanDerWaalsContact O-CE3 3.26Å; L1372-L1379 PolarHBondContact O-N 3.21Å; L1372-M1380 HydrophobicContact CD2-CE 4.05Å; L1372-M1380 HydrophobicContact CD2-CG 4.35Å; L1372-M1380 HydrophobicContact CD2-SD 3.77Å; L1372-V1401 HydrophobicContact CB-CB 4.47Å; L1372-V1401 HydrophobicContact CB-CG1 4.34Å; L1372-V1401 HydrophobicContact CD1-CG1 4.46Å; L1372-V1401 PolarHBondContact N-O 3.05Å; L1372-C1403 HydrophobicContact CD1-CB 4.02Å |
| 1373 | E | 84.5 | Confident | 80.7 | Confident | 10 Ų | 10 | 28.4 Ų | 28.4 | 5% | 0.047 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 142.6 | 176.8 | -164.4 | -161.5 | 113.2 | 0 | 0 | 109.2 | R1305 G1376 H1377 W1378 C1400 V1401 | R1305-E1373 IonicContact CZ-OE1 3.54Å; R1305-E1373 IonicContact CZ-OE2 3.19Å; R1305-E1373 IonicContact NH1-OE1 3.62Å; R1305-E1373 PolarHBondContact NH1-OE1 2.79Å; R1305-E1373 IonicContact NH1-OE2 3.55Å; R1305-E1373 IonicContact NH2-OE1 3.61Å; R1305-E1373 PolarHBondContact NH2-OE1 3.45Å; R1305-E1373 IonicContact NH2-OE2 2.78Å; R1305-E1373 PolarHBondContact NH2-OE2 3.42Å; E1373-G1376 WeakPolarHBondContact OE1-CA 3.3Å; E1373-G1376 PolarHBondContact OE1-N 3.38Å; E1373-H1377 CarbonylContact C-O 3.5Å; E1373-H1377 WeakPolarHBondContact CA-O 3.41Å; E1373-H1377 VanDerWaalsContact CG-O 3.3Å; E1373-H1377 WeakPolarHBondContact CG-O 3.18Å; E1373-W1378 HydrophobicContact CB-CE3 3.89Å; E1373-W1378 HydrophobicContact CB-CZ3 4.08Å; E1373-W1378 HydrophobicContact CG-CE3 4.24Å; E1373-C1400 CarbonylContact O-C 3.58Å; E1373-C1400 WeakPolarHBondContact O-CA 3.45Å; E1373-V1401 HydrophobicContact CB-CB 3.6Å; E1373-V1401 HydrophobicContact CB-CG2 3.71Å; E1373-V1401 HydrophobicContact CG-CG2 4.41Å; E1373-V1401 PolarHBondContact N-O 3.11Å; E1373-V1401 VanDerWaalsContact N-O 3.07Å; E1373-V1401 PolarHBondContact O-N 2.69Å; E1373-V1401 WeakPolarHBondContact OE2-CG2 3.39Å |
| 1374 | I | 85.3 | Confident | 80.4 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 125.6 | 163.7 | -62.3 | 162.3 | 0 | 0 | 0 | 108.9 | L1371 G1376 H1377 L1379 V1387 I1390 F1391 L1398 S1399 | L1371-I1374 HydrophobicContact CD1-CD1 4.09Å; I1374-G1376 PolarHBondContact O-N 3.44Å; I1374-G1376 VanDerWaalsContact O-N 3.12Å; I1374-H1377 PolarHBondContact N-O 3.28Å; I1374-H1377 WeakPolarHBondContact O-CB 3.33Å; I1374-H1377 PolarHBondContact O-N 3.33Å; I1374-L1379 HydrophobicContact CB-CD2 4.38Å; I1374-L1379 HydrophobicContact CD1-CD1 3.59Å; I1374-L1379 HydrophobicContact CD1-CD2 4.15Å; I1374-L1379 HydrophobicContact CD1-CG 4.42Å; I1374-L1379 HydrophobicContact CG1-CD1 3.9Å; I1374-L1379 HydrophobicContact CG1-CD2 4.31Å; I1374-L1379 HydrophobicContact CG1-CG 4.44Å; I1374-V1387 HydrophobicContact CD1-CG1 4.21Å; I1374-I1390 HydrophobicContact CB-CG2 3.83Å; I1374-I1390 HydrophobicContact CG2-CG2 3.65Å; I1374-F1391 HydrophobicContact CD1-CD2 4.02Å; I1374-F1391 HydrophobicContact CD1-CE1 4.08Å; I1374-F1391 HydrophobicContact CD1-CE2 3.37Å; I1374-F1391 HydrophobicContact CD1-CZ 3.4Å; I1374-F1391 HydrophobicContact CG1-CZ 4.41Å; I1374-L1398 HydrophobicContact CG2-CD1 3.52Å; I1374-L1398 HydrophobicContact CG2-CG 4.47Å; I1374-S1399 CarbonylContact C-O 3.51Å; I1374-S1399 WeakPolarHBondContact CA-O 3.38Å |
| 1375 | N | 81.8 | Confident | 79.6 | Confident | 58 Ų | 58 | 30.6 Ų | 30.6 | 31% | 0.31 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.2 | 38.3 | 177.1 | -77.2 | -20.1 | 0 | 0 | 0 | 113.7 | H1377 S1394 T1397 S1399 | N1375-H1377 VanDerWaalsContact C-N 3.33Å; N1375-S1394 WeakPolarHBondContact ND2-CB 3.21Å; N1375-S1394 PolarHBondContact ND2-OG 2.96Å; N1375-T1397 PolarHBondContact ND2-O 2.95Å; N1375-T1397 VanDerWaalsContact ND2-O 3.17Å; N1375-S1399 PolarHBondContact N-O 3.21Å; N1375-S1399 WeakPolarHBondContact OD1-CB 3.48Å; N1375-S1399 PolarHBondContact OD1-N 3.15Å |
| 1376 | G | 70.5 | Confident | 79.1 | Confident | 29 Ų | 29 | 35.1 Ų | 35.1 | 30% | 0.299 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | -15.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | K1245 E1373 I1374 | K1245-G1376 PolarHBondContact NZ-O 3.35Å; E1373-G1376 WeakPolarHBondContact OE1-CA 3.3Å; E1373-G1376 PolarHBondContact OE1-N 3.38Å; I1374-G1376 PolarHBondContact O-N 3.44Å; I1374-G1376 VanDerWaalsContact O-N 3.12Å |
| 1377 | H | 75.7 | Confident | 78.6 | Confident | 108 Ų | 108 | 34 Ų | 34 | 50% | 0.5 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 126.6 | 173.9 | -63.4 | -91.7 | 0 | 0 | 0 | 110.1 | E1373 I1374 N1375 I1390 | E1373-H1377 CarbonylContact C-O 3.5Å; E1373-H1377 WeakPolarHBondContact CA-O 3.41Å; E1373-H1377 VanDerWaalsContact CG-O 3.3Å; E1373-H1377 WeakPolarHBondContact CG-O 3.18Å; I1374-H1377 PolarHBondContact N-O 3.28Å; I1374-H1377 WeakPolarHBondContact O-CB 3.33Å; I1374-H1377 PolarHBondContact O-N 3.33Å; N1375-H1377 VanDerWaalsContact C-N 3.33Å; H1377-I1390 HydrophobicContact CB-CD1 3.67Å; H1377-I1390 HydrophobicContact CB-CG1 4.21Å; H1377-I1390 HydrophobicContact CB-CG2 4.34Å |
| 1378 | W | 78.5 | Confident | 78.2 | Confident | 44 Ų | 44 | 32.3 Ų | 32.3 | 17% | 0.167 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 142.2 | 172.5 | -160.7 | -111.3 | 0 | 0 | 0 | 109.6 | F1234 S1244 L1372 E1373 M1380 V1382 | F1234-W1378 HydrophobicContact CE2-CZ2 4.22Å; F1234-W1378 HydrophobicContact CZ-CH2 4.47Å; F1234-W1378 HydrophobicContact CZ-CZ2 4.31Å; S1244-W1378 VanDerWaalsContact O-CH2 3.28Å; S1244-W1378 WeakPolarHBondContact O-CH2 3.29Å; L1372-W1378 HydrophobicContact CB-CH2 3.77Å; L1372-W1378 HydrophobicContact CB-CZ2 4.16Å; L1372-W1378 HydrophobicContact CB-CZ3 4.03Å; L1372-W1378 HydrophobicContact CD1-CH2 4.22Å; L1372-W1378 CarbonylContact O-C 3.49Å; L1372-W1378 WeakPolarHBondContact O-CA 3.2Å; L1372-W1378 VanDerWaalsContact O-CD2 3.28Å; L1372-W1378 VanDerWaalsContact O-CE3 3.26Å; E1373-W1378 HydrophobicContact CB-CE3 3.89Å; E1373-W1378 HydrophobicContact CB-CZ3 4.08Å; E1373-W1378 HydrophobicContact CG-CE3 4.24Å; W1378-M1380 HydrophobicContact CZ2-CG 4.4Å; W1378-V1382 VanDerWaalsContact O-CG2 3.29Å; W1378-V1382 WeakPolarHBondContact O-CG2 3.28Å |
| 1379 | L | 77.3 | Confident | 77.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -105.5 | -11.6 | -173.4 | -53.3 | -167.5 | 0 | 0 | 0 | 114.6 | I1348 L1371 L1372 I1374 G1381 V1382 V1387 I1390 | I1348-L1379 HydrophobicContact CB-CD1 4.06Å; I1348-L1379 HydrophobicContact CG1-CB 3.96Å; I1348-L1379 HydrophobicContact CG1-CD1 4.12Å; I1348-L1379 HydrophobicContact CG2-CD1 4.1Å; L1371-L1379 HydrophobicContact CB-CD1 3.48Å; L1371-L1379 VanDerWaalsContact CB-CD1 3.48Å; L1372-L1379 PolarHBondContact O-N 3.21Å; I1374-L1379 HydrophobicContact CB-CD2 4.38Å; I1374-L1379 HydrophobicContact CD1-CD1 3.59Å; I1374-L1379 HydrophobicContact CD1-CD2 4.15Å; I1374-L1379 HydrophobicContact CD1-CG 4.42Å; I1374-L1379 HydrophobicContact CG1-CD1 3.9Å; I1374-L1379 HydrophobicContact CG1-CD2 4.31Å; I1374-L1379 HydrophobicContact CG1-CG 4.44Å; L1379-G1381 PolarHBondContact O-N 3.21Å; L1379-V1382 WeakPolarHBondContact O-CB 3.31Å; L1379-V1382 PolarHBondContact O-N 3.39Å; L1379-V1387 HydrophobicContact CD1-CG1 4.48Å; L1379-V1387 HydrophobicContact CD2-CG2 4.33Å; L1379-I1390 HydrophobicContact CD2-CD1 4.06Å | ||
| 1380 | M | 69.3 | Low | 77.1 | Confident | 38 Ų | 38 | 40 Ų | 40 | 19% | 0.187 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | 128.4 | 172.8 | -50.2 | -68 | 78.9 | 0 | 0 | 108.2 | L1372 W1378 | L1372-M1380 HydrophobicContact CD2-CE 4.05Å; L1372-M1380 HydrophobicContact CD2-CG 4.35Å; L1372-M1380 HydrophobicContact CD2-SD 3.77Å; W1378-M1380 HydrophobicContact CZ2-CG 4.4Å |
| 1381 | G | 65.4 | Low | 76.4 | Confident | 53 Ų | 53 | 39.7 Ų | 39.7 | 55% | 0.546 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 92 | 5.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115 | L1379 | L1379-G1381 PolarHBondContact O-N 3.21Š|
| 1382 | V | 67.2 | Low | 75.3 | Confident | 22 Ų | 22 | 46.8 Ų | 46.8 | 13% | 0.133 | 24% | 0.244 | C | C | . | . | trans | -111 | 143.9 | -169.6 | -176.3 | 0 | 0 | 0 | 0 | 111.1 | G1323 L1324 W1378 L1379 E1386 V1387 | G1323-V1382 VanDerWaalsContact CA-O 3.3Å; G1323-V1382 WeakPolarHBondContact CA-O 3.18Å; L1324-V1382 PolarHBondContact N-O 3.09Å; L1324-V1382 VanDerWaalsContact N-O 3.08Å; W1378-V1382 VanDerWaalsContact O-CG2 3.29Å; W1378-V1382 WeakPolarHBondContact O-CG2 3.28Å; L1379-V1382 WeakPolarHBondContact O-CB 3.31Å; L1379-V1382 PolarHBondContact O-N 3.39Å; V1382-E1386 HydrophobicContact CG1-CB 3.37Å; V1382-E1386 HydrophobicContact CG1-CG 4.36Å; V1382-V1387 HydrophobicContact CB-CG2 4.49Å; V1382-V1387 HydrophobicContact CG1-CG2 3.93Å | ||
| 1383 | T | 76.1 | Confident | 74.3 | Confident | 30 Ų | 30 | 49.4 Ų | 49.4 | 18% | 0.184 | 27% | 0.271 | C | S | . | . | trans | -77.8 | 155.6 | 175.8 | 63.6 | 0 | 0 | 0 | 0 | 111.8 | T1326 D1385 E1386 V1387 | T1326-T1383 HydrophobicContact CG2-CG2 3.66Å; T1383-D1385 PolarHBondContact O-N 3.34Å; T1383-E1386 WeakPolarHBondContact CB-OE2 3.36Å; T1383-E1386 WeakPolarHBondContact CG2-OE2 3.19Å; T1383-E1386 PolarHBondContact N-OE2 2.96Å; T1383-E1386 PolarHBondContact O-N 3.29Å; T1383-E1386 VanDerWaalsContact O-N 3.15Å; T1383-E1386 VanDerWaalsContact OG1-CD 3.26Å; T1383-E1386 VanDerWaalsContact OG1-CG 3.28Å; T1383-E1386 WeakPolarHBondContact OG1-CG 3.48Å; T1383-E1386 PolarHBondContact OG1-N 3.31Å; T1383-E1386 PolarHBondContact OG1-OE2 3.07Å; T1383-V1387 WeakPolarHBondContact O-CG2 3.37Å; T1383-V1387 PolarHBondContact O-N 2.98Å; T1383-V1387 VanDerWaalsContact O-N 3.15Å | ||
| 1384 | L | 77 | Confident | 73.3 | Confident | 52 Ų | 52 | 49.1 Ų | 49.1 | 27% | 0.272 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -58.1 | -35.7 | 179.2 | -169.5 | 60.2 | 0 | 0 | 0 | 112.7 | V1320 V1387 L1388 | V1320-L1384 HydrophobicContact CG2-CD1 4.01Å; L1384-V1387 WeakPolarHBondContact O-CB 3.49Å; L1384-V1387 PolarHBondContact O-N 3.02Å; L1384-L1388 HydrophobicContact CG-CD1 4.47Å; L1384-L1388 VanDerWaalsContact O-CG 3.29Å; L1384-L1388 WeakPolarHBondContact O-CG 3.49Å; L1384-L1388 PolarHBondContact O-N 2.83Å; L1384-L1388 VanDerWaalsContact O-N 3.07Å |
| 1385 | D | 71.2 | Confident | 72.2 | Confident | 120 Ų | 120 | 58 Ų | 58 | 64% | 0.642 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -65.8 | -40.9 | 176.9 | -84.4 | -26.5 | 0 | 0 | 0 | 112.9 | T1383 V1387 L1388 H1389 | T1383-D1385 PolarHBondContact O-N 3.34Å; D1385-V1387 VanDerWaalsContact C-N 3.34Å; D1385-L1388 PolarHBondContact O-N 2.88Å; D1385-H1389 PolarHBondContact O-N 3.13Å |
| 1386 | E | 76.8 | Confident | 71.8 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 45% | 0.449 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 175.8 | -74 | 165.3 | 133.1 | 0 | 0 | 111.4 | V1382 T1383 L1388 H1389 I1390 | V1382-E1386 HydrophobicContact CG1-CB 3.37Å; V1382-E1386 HydrophobicContact CG1-CG 4.36Å; T1383-E1386 WeakPolarHBondContact CB-OE2 3.36Å; T1383-E1386 WeakPolarHBondContact CG2-OE2 3.19Å; T1383-E1386 PolarHBondContact N-OE2 2.96Å; T1383-E1386 PolarHBondContact O-N 3.29Å; T1383-E1386 VanDerWaalsContact O-N 3.15Å; T1383-E1386 VanDerWaalsContact OG1-CD 3.26Å; T1383-E1386 VanDerWaalsContact OG1-CG 3.28Å; T1383-E1386 WeakPolarHBondContact OG1-CG 3.48Å; T1383-E1386 PolarHBondContact OG1-N 3.31Å; T1383-E1386 PolarHBondContact OG1-OE2 3.07Å; E1386-L1388 PolarHBondContact O-N 3.15Å; E1386-H1389 WeakPolarHBondContact O-CB 3.47Å; E1386-H1389 PolarHBondContact O-N 2.9Å; E1386-I1390 WeakPolarHBondContact O-CG1 3.24Å; E1386-I1390 PolarHBondContact O-N 2.91Å |
| 1387 | V | 75.8 | Confident | 72.3 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.5 | -46.4 | 173.2 | 176.1 | 0 | 0 | 0 | 0 | 111.1 | V1320 I1348 I1374 L1379 V1382 T1383 L1384 D1385 H1389 I1390 F1391 | V1320-V1387 HydrophobicContact CG2-CG1 4.22Å; I1348-V1387 HydrophobicContact CD1-CG2 3.67Å; I1348-V1387 HydrophobicContact CG1-CG2 3.78Å; I1348-V1387 HydrophobicContact CG2-CG1 4.15Å; I1374-V1387 HydrophobicContact CD1-CG1 4.21Å; L1379-V1387 HydrophobicContact CD1-CG1 4.48Å; L1379-V1387 HydrophobicContact CD2-CG2 4.33Å; V1382-V1387 HydrophobicContact CB-CG2 4.49Å; V1382-V1387 HydrophobicContact CG1-CG2 3.93Å; T1383-V1387 WeakPolarHBondContact O-CG2 3.37Å; T1383-V1387 PolarHBondContact O-N 2.98Å; T1383-V1387 VanDerWaalsContact O-N 3.15Å; L1384-V1387 WeakPolarHBondContact O-CB 3.49Å; L1384-V1387 PolarHBondContact O-N 3.02Å; D1385-V1387 VanDerWaalsContact C-N 3.34Å; V1387-H1389 VanDerWaalsContact C-N 3.28Å; V1387-H1389 PolarHBondContact O-N 2.87Å; V1387-I1390 PolarHBondContact O-N 2.8Å; V1387-F1391 HydrophobicContact CG1-CD2 3.88Å; V1387-F1391 HydrophobicContact CG1-CE2 3.7Å; V1387-F1391 VanDerWaalsContact O-CD2 3.25Å; V1387-F1391 WeakPolarHBondContact O-CD2 3.47Å; V1387-F1391 PolarHBondContact O-N 3.23Å |
| 1388 | L | 76.5 | Confident | 72.6 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 5% | 0.047 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -36 | 176.4 | -67.9 | 165 | 0 | 0 | 0 | 111.8 | L1384 D1385 E1386 F1391 W1392 P1441 I1443 | L1384-L1388 HydrophobicContact CG-CD1 4.47Å; L1384-L1388 VanDerWaalsContact O-CG 3.29Å; L1384-L1388 WeakPolarHBondContact O-CG 3.49Å; L1384-L1388 PolarHBondContact O-N 2.83Å; L1384-L1388 VanDerWaalsContact O-N 3.07Å; D1385-L1388 PolarHBondContact O-N 2.88Å; E1386-L1388 PolarHBondContact O-N 3.15Å; L1388-F1391 WeakPolarHBondContact O-CB 3.05Å; L1388-F1391 PolarHBondContact O-N 3.46Å; L1388-W1392 PolarHBondContact O-N 2.88Å; L1388-P1441 HydrophobicContact CD1-CG 3.39Å; L1388-P1441 HydrophobicContact CD2-CG 3.83Å; L1388-P1441 HydrophobicContact CG-CG 4.26Å; L1388-I1443 HydrophobicContact CD2-CG1 4.22Å |
| 1389 | H | 74.3 | Confident | 72.9 | Confident | 134 Ų | 134 | 53.7 Ų | 53.7 | 62% | 0.62 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -64.9 | -42.3 | 174.5 | -151.1 | 85.6 | 0 | 0 | 0 | 112.4 | D1385 E1386 V1387 F1391 W1392 G1393 | D1385-H1389 PolarHBondContact O-N 3.13Å; E1386-H1389 WeakPolarHBondContact O-CB 3.47Å; E1386-H1389 PolarHBondContact O-N 2.9Å; V1387-H1389 VanDerWaalsContact C-N 3.28Å; V1387-H1389 PolarHBondContact O-N 2.87Å; H1389-F1391 VanDerWaalsContact C-N 3.32Å; H1389-F1391 PolarHBondContact O-N 3.25Å; H1389-W1392 PolarHBondContact O-N 3.03Å; H1389-G1393 PolarHBondContact O-N 2.78Å |
| 1390 | I | 75 | Confident | 73.3 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | 174 | -64.9 | 158.1 | 0 | 0 | 0 | 110.5 | I1374 H1377 L1379 E1386 V1387 G1393 S1394 | I1374-I1390 HydrophobicContact CB-CG2 3.83Å; I1374-I1390 HydrophobicContact CG2-CG2 3.65Å; H1377-I1390 HydrophobicContact CB-CD1 3.67Å; H1377-I1390 HydrophobicContact CB-CG1 4.21Å; H1377-I1390 HydrophobicContact CB-CG2 4.34Å; L1379-I1390 HydrophobicContact CD2-CD1 4.06Å; E1386-I1390 WeakPolarHBondContact O-CG1 3.24Å; E1386-I1390 PolarHBondContact O-N 2.91Å; V1387-I1390 PolarHBondContact O-N 2.8Å; I1390-G1393 PolarHBondContact O-N 2.89Å; I1390-S1394 PolarHBondContact O-OG 2.81Å |
| 1391 | F | 72.9 | Confident | 74 | Confident | 4 Ų | 4 | 52.2 Ų | 52.2 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 172.4 | -83.8 | -70.1 | 0 | 0 | 0 | 112.7 | L1318 V1320 L1371 I1374 V1387 L1388 H1389 G1393 S1394 L1398 I1443 | L1318-F1391 HydrophobicContact CD2-CE1 3.72Å; L1318-F1391 HydrophobicContact CD2-CZ 3.51Å; V1320-F1391 HydrophobicContact CG1-CE2 4.15Å; V1320-F1391 HydrophobicContact CG1-CZ 4.38Å; V1320-F1391 HydrophobicContact CG2-CE2 4.31Å; L1371-F1391 HydrophobicContact CD1-CE2 4.32Å; L1371-F1391 HydrophobicContact CD1-CZ 3.97Å; I1374-F1391 HydrophobicContact CD1-CD2 4.02Å; I1374-F1391 HydrophobicContact CD1-CE1 4.08Å; I1374-F1391 HydrophobicContact CD1-CE2 3.37Å; I1374-F1391 HydrophobicContact CD1-CZ 3.4Å; I1374-F1391 HydrophobicContact CG1-CZ 4.41Å; V1387-F1391 HydrophobicContact CG1-CD2 3.88Å; V1387-F1391 HydrophobicContact CG1-CE2 3.7Å; V1387-F1391 VanDerWaalsContact O-CD2 3.25Å; V1387-F1391 WeakPolarHBondContact O-CD2 3.47Å; V1387-F1391 PolarHBondContact O-N 3.23Å; L1388-F1391 WeakPolarHBondContact O-CB 3.05Å; L1388-F1391 PolarHBondContact O-N 3.46Å; H1389-F1391 VanDerWaalsContact C-N 3.32Å; H1389-F1391 PolarHBondContact O-N 3.25Å; F1391-G1393 VanDerWaalsContact C-N 3.31Å; F1391-G1393 PolarHBondContact O-N 3.13Å; F1391-S1394 WeakPolarHBondContact O-CB 3.27Å; F1391-S1394 PolarHBondContact O-N 3.46Å; F1391-S1394 VanDerWaalsContact O-N 3.08Å; F1391-S1394 PolarHBondContact O-OG 3.38Å; F1391-L1398 HydrophobicContact CD1-CD1 3.66Å; F1391-L1398 HydrophobicContact CD1-CD2 4.49Å; F1391-L1398 HydrophobicContact CE1-CD1 3.64Å; F1391-L1398 HydrophobicContact CE1-CD2 3.88Å; F1391-L1398 HydrophobicContact CE1-CG 4.38Å; F1391-I1443 HydrophobicContact CB-CD1 4.05Å; F1391-I1443 HydrophobicContact CB-CG1 4.44Å; F1391-I1443 HydrophobicContact CB-CG2 4.16Å; F1391-I1443 HydrophobicContact CD1-CD1 3.77Å; F1391-I1443 HydrophobicContact CD2-CD1 3.61Å; F1391-I1443 HydrophobicContact CE1-CD1 4.03Å; F1391-I1443 HydrophobicContact CE2-CD1 3.89Å; F1391-I1443 HydrophobicContact CG-CD1 3.55Å; F1391-I1443 HydrophobicContact CG-CG1 4.44Å; F1391-I1443 HydrophobicContact CZ-CD1 4.1Å |
| 1392 | W | 65.7 | Low | 75.2 | Confident | 149 Ų | 149 | 49.7 Ų | 49.7 | 56% | 0.564 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -66.8 | -28.5 | 177.3 | -69.2 | -29.9 | 0 | 0 | 0 | 113.7 | L1388 H1389 S1394 | L1388-W1392 PolarHBondContact O-N 2.88Å; H1389-W1392 PolarHBondContact O-N 3.03Å; W1392-S1394 PolarHBondContact O-N 3.4Å |
| 1393 | G | 63.8 | Low | 76.2 | Confident | 56 Ų | 56 | 48.6 Ų | 48.6 | 58% | 0.577 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.6 | -15.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H1389 I1390 F1391 K1395 | H1389-G1393 PolarHBondContact O-N 2.78Å; I1390-G1393 PolarHBondContact O-N 2.89Å; F1391-G1393 VanDerWaalsContact C-N 3.31Å; F1391-G1393 PolarHBondContact O-N 3.13Å; G1393-K1395 PolarHBondContact O-N 2.76Å |
| 1394 | S | 63.4 | Low | 76.6 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | trans | -82.6 | 69.7 | -167.9 | -57.5 | 0 | 0 | 0 | 0 | 113.6 | K1310 Y1316 N1375 I1390 F1391 W1392 S1396 | K1310-S1394 WeakPolarHBondContact CE-O 3.39Å; Y1316-S1394 WeakPolarHBondContact CE2-O 3.29Å; Y1316-S1394 PolarHBondContact OH-O 3.26Å; N1375-S1394 WeakPolarHBondContact ND2-CB 3.21Å; N1375-S1394 PolarHBondContact ND2-OG 2.96Å; I1390-S1394 PolarHBondContact O-OG 2.81Å; F1391-S1394 WeakPolarHBondContact O-CB 3.27Å; F1391-S1394 PolarHBondContact O-N 3.46Å; F1391-S1394 VanDerWaalsContact O-N 3.08Å; F1391-S1394 PolarHBondContact O-OG 3.38Å; W1392-S1394 PolarHBondContact O-N 3.4Å; S1394-S1396 VanDerWaalsContact C-N 3.32Å; S1394-S1396 PolarHBondContact O-N 3.39Å; S1394-S1396 VanDerWaalsContact O-N 3.1Å | ||
| 1395 | K | 63.2 | Low | 76.7 | Confident | 185 Ų | 185 | 45 Ų | 45 | 80% | 0.804 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -53.8 | -30.2 | -168.8 | -69.5 | -172.4 | 179.4 | -178.7 | 0 | 117.2 | K1310 G1393 | K1310-K1395 WeakPolarHBondContact CE-O 2.95Å; G1393-K1395 PolarHBondContact O-N 2.76Å |
| 1396 | S | 73.5 | Confident | 76.5 | Confident | 63 Ų | 63 | 40.8 Ų | 40.8 | 44% | 0.441 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -156.1 | -25.6 | -177.1 | 54.5 | 0 | 0 | 0 | 0 | 114.7 | T1309 K1310 S1394 | T1309-S1396 WeakPolarHBondContact CA-O 3.14Å; K1310-S1396 WeakPolarHBondContact CG-O 3.49Å; K1310-S1396 PolarHBondContact N-O 3.18Å; S1394-S1396 VanDerWaalsContact C-N 3.32Å; S1394-S1396 PolarHBondContact O-N 3.39Å; S1394-S1396 VanDerWaalsContact O-N 3.1Å |
| 1397 | T | 79.5 | Confident | 75.5 | Confident | 62 Ų | 62 | 37.9 Ų | 37.9 | 38% | 0.38 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 144.3 | 177.5 | 48.1 | 0 | 0 | 0 | 0 | 111.4 | V1308 T1309 Y1316 N1375 | V1308-T1397 CarbonylContact O-C 3.52Å; V1308-T1397 WeakPolarHBondContact O-CA 3.35Å; T1309-T1397 HydrophobicContact CG2-CG2 4.02Å; Y1316-T1397 PolarHBondContact OH-N 3.08Å; Y1316-T1397 PolarHBondContact OH-O 2.84Å; N1375-T1397 PolarHBondContact ND2-O 2.95Å; N1375-T1397 VanDerWaalsContact ND2-O 3.17Å |
| 1398 | L | 83.5 | Confident | 74.4 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 110.6 | 176.8 | -176.3 | 81.8 | 0 | 0 | 0 | 108.5 | T1307 V1308 Y1316 I1359 I1374 F1391 | T1307-L1398 CarbonylContact C-O 3.11Å; T1307-L1398 WeakPolarHBondContact CA-O 3.31Å; V1308-L1398 PolarHBondContact N-O 3.21Å; V1308-L1398 PolarHBondContact O-N 2.84Å; Y1316-L1398 HydrophobicContact CD1-CB 4.22Å; Y1316-L1398 HydrophobicContact CD1-CD2 4.2Å; Y1316-L1398 HydrophobicContact CE1-CB 3.59Å; Y1316-L1398 HydrophobicContact CE1-CD2 4.41Å; I1359-L1398 HydrophobicContact CD1-CD2 3.96Å; I1374-L1398 HydrophobicContact CG2-CD1 3.52Å; I1374-L1398 HydrophobicContact CG2-CG 4.47Å; F1391-L1398 HydrophobicContact CD1-CD1 3.66Å; F1391-L1398 HydrophobicContact CD1-CD2 4.49Å; F1391-L1398 HydrophobicContact CE1-CD1 3.64Å; F1391-L1398 HydrophobicContact CE1-CD2 3.88Å; F1391-L1398 HydrophobicContact CE1-CG 4.38Å |
| 1399 | S | 83.8 | Confident | 73.2 | Confident | 25 Ų | 25 | 43 Ų | 43 | 18% | 0.175 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 101.7 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 109 | R1305 I1306 I1374 N1375 | R1305-S1399 PolarHBondContact NH1-OG 3.17Å; I1306-S1399 CarbonylContact O-C 3.53Å; I1306-S1399 WeakPolarHBondContact O-CA 3.38Å; I1374-S1399 CarbonylContact C-O 3.51Å; I1374-S1399 WeakPolarHBondContact CA-O 3.38Å; N1375-S1399 PolarHBondContact N-O 3.21Å; N1375-S1399 WeakPolarHBondContact OD1-CB 3.48Å; N1375-S1399 PolarHBondContact OD1-N 3.15Å |
| 1400 | C | 85 | Confident | 71.6 | Confident | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.014 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 143.4 | 178 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | R1305 I1306 E1373 V1402 | R1305-C1400 CarbonylContact C-O 3.47Å; R1305-C1400 VanDerWaalsContact CA-O 3.28Å; R1305-C1400 WeakPolarHBondContact CA-O 3.39Å; I1306-C1400 PolarHBondContact N-O 2.59Å; I1306-C1400 PolarHBondContact O-N 3.35Å; E1373-C1400 CarbonylContact O-C 3.58Å; E1373-C1400 WeakPolarHBondContact O-CA 3.45Å; C1400-V1402 HydrophobicContact CB-CG1 3.61Å |
| 1401 | V | 85.6 | Confident | 69.8 | Low | 4 Ų | 4 | 35.8 Ų | 35.8 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 128.1 | 151.7 | -179 | 0 | 0 | 0 | 0 | 106.7 | L1303 R1304 R1305 L1372 E1373 | L1303-V1401 HydrophobicContact CD1-CG1 3.63Å; R1304-V1401 WeakPolarHBondContact O-CA 3.07Å; R1305-V1401 HydrophobicContact CB-CG2 4.43Å; R1305-V1401 HydrophobicContact CG-CG2 4.27Å; L1372-V1401 HydrophobicContact CB-CB 4.47Å; L1372-V1401 HydrophobicContact CB-CG1 4.34Å; L1372-V1401 HydrophobicContact CD1-CG1 4.46Å; L1372-V1401 PolarHBondContact N-O 3.05Å; E1373-V1401 HydrophobicContact CB-CB 3.6Å; E1373-V1401 HydrophobicContact CB-CG2 3.71Å; E1373-V1401 HydrophobicContact CG-CG2 4.41Å; E1373-V1401 PolarHBondContact N-O 3.11Å; E1373-V1401 VanDerWaalsContact N-O 3.07Å; E1373-V1401 PolarHBondContact O-N 2.69Å; E1373-V1401 WeakPolarHBondContact OE2-CG2 3.39Å |
| 1402 | V | 89.8 | Confident | 68.2 | Low | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 153.3 | -176.1 | -47.1 | 0 | 0 | 0 | 0 | 109.5 | L1303 R1304 I1306 L1365 R1370 L1371 C1400 | L1303-V1402 CarbonylContact C-O 3.25Å; L1303-V1402 VanDerWaalsContact CA-O 3.27Å; L1303-V1402 WeakPolarHBondContact CA-O 3.14Å; R1304-V1402 HydrophobicContact CG-CG2 3.49Å; R1304-V1402 VanDerWaalsContact CG-CG2 3.49Å; R1304-V1402 PolarHBondContact N-O 3.15Å; R1304-V1402 PolarHBondContact O-N 3.34Å; I1306-V1402 HydrophobicContact CD1-CG1 4.46Å; I1306-V1402 HydrophobicContact CD1-CG2 3.61Å; I1306-V1402 HydrophobicContact CG1-CG2 4.23Å; L1365-V1402 HydrophobicContact CD1-CB 4.28Å; L1365-V1402 HydrophobicContact CD1-CG1 3.68Å; L1365-V1402 HydrophobicContact CD1-CG2 4.2Å; R1370-V1402 CarbonylContact O-C 3.43Å; R1370-V1402 VanDerWaalsContact O-CA 3.25Å; R1370-V1402 WeakPolarHBondContact O-CA 3.46Å; R1370-V1402 WeakPolarHBondContact O-CB 3.5Å; L1371-V1402 HydrophobicContact CD2-CB 4.28Å; L1371-V1402 HydrophobicContact CD2-CG1 3.39Å; C1400-V1402 HydrophobicContact CB-CG1 3.61Å |
| 1403 | C | 87.9 | Confident | 67 | Low | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 178.7 | 170.1 | 67.3 | 0 | 0 | 0 | 0 | 107.4 | P1300 P1301 L1303 R1370 L1372 | P1300-C1403 HydrophobicContact CB-CB 4.23Å; P1300-C1403 HydrophobicContact CG-CB 4.32Å; P1301-C1403 WeakPolarHBondContact O-CA 3.11Å; P1301-C1403 VanDerWaalsContact O-CB 3.25Å; P1301-C1403 WeakPolarHBondContact O-CB 3.14Å; L1303-C1403 HydrophobicContact CB-CB 4.48Å; L1303-C1403 HydrophobicContact CD1-CB 4.28Å; R1370-C1403 WeakPolarHBondContact CA-O 3.49Å; R1370-C1403 PolarHBondContact N-O 3.05Å; R1370-C1403 PolarHBondContact O-N 3.47Å; R1370-C1403 VanDerWaalsContact O-O 3.07Å; L1372-C1403 HydrophobicContact CD1-CB 4.02Å |
| 1404 | D | 84.4 | Confident | 65.8 | Low | 5 Ų | 5 | 32 Ų | 32 | 3% | 0.027 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 140.5 | -175.7 | -52 | -34.8 | 0 | 0 | 0 | 111.1 | R21 H22 P1301 G1302 R1304 | R21-D1404 HydrophobicContact CB-CB 4.27Å; R21-D1404 WeakPolarHBondContact CB-OD2 3.48Å; R21-D1404 WeakPolarHBondContact CG-OD2 3.28Å; R21-D1404 IonicContact CZ-OD2 3.65Å; R21-D1404 VanDerWaalsContact NE-CB 3.29Å; R21-D1404 IonicContact NE-OD2 2.9Å; R21-D1404 PolarHBondContact NE-OD2 3.31Å; H22-D1404 WeakPolarHBondContact CB-OD1 3.31Å; H22-D1404 WeakPolarHBondContact CD2-CB 3.46Å; H22-D1404 IonicContact CD2-OD1 2.57Å; H22-D1404 PolarHBondContact CD2-OD1 2.85Å; H22-D1404 IonicContact CG-OD1 2.78Å; P1301-D1404 HydrophobicContact CB-CB 4.28Å; P1301-D1404 WeakPolarHBondContact CB-OD2 3.41Å; P1301-D1404 PolarHBondContact O-N 2.79Å; G1302-D1404 WeakPolarHBondContact CA-OD1 3.44Å; G1302-D1404 WeakPolarHBondContact CA-OD2 3.42Å; G1302-D1404 PolarHBondContact N-OD2 3.34Å; R1304-D1404 IonicContact NH1-OD1 2.98Å; R1304-D1404 PolarHBondContact NH1-OD1 3.36Å |
| 1405 | G | 78.7 | Confident | 64.4 | Low | 2 Ų | 2 | 36.3 Ų | 36.3 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | trans | -69.9 | 175.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G1368 | G1368-G1405 VanDerWaalsContact O-CA 3.26Å; G1368-G1405 WeakPolarHBondContact O-CA 3.22Å; G1368-G1405 PolarHBondContact O-N 2.77Å | ||
| 1406 | P | 68.6 | Low | 63.3 | Low | 30 Ų | 30 | 32.6 Ų | 32.6 | 20% | 0.195 | 18% | 0.181 | C | C | . | . | trans | -60.8 | 137.2 | 163.1 | 26.8 | -29.5 | 0 | 0 | 0 | 108.6 | L1342 F1349 E1408 F1409 | L1342-P1406 HydrophobicContact CD2-CG 3.94Å; F1349-P1406 HydrophobicContact CE1-CG 4.19Å; F1349-P1406 HydrophobicContact CZ-CG 4.36Å; P1406-E1408 VanDerWaalsContact C-N 3.33Å; P1406-E1408 PolarHBondContact O-N 3.27Å; P1406-F1409 HydrophobicContact CG-CB 4.14Å; P1406-F1409 WeakPolarHBondContact O-CB 3.47Å; P1406-F1409 PolarHBondContact O-N 2.81Å | ||
| 1407 | V | 54.9 | Low | 61.4 | Low | 35 Ų | 35 | 34.1 Ų | 34.1 | 21% | 0.212 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -53.7 | -51.8 | -173.1 | 166 | 0 | 0 | 0 | 0 | 109.4 | S68 F1409 A1410 L1411 | S68-V1407 WeakPolarHBondContact OG-CG1 3.45Å; V1407-F1409 PolarHBondContact O-N 3.44Å; V1407-A1410 PolarHBondContact O-N 2.77Å; V1407-L1411 HydrophobicContact CB-CD1 4.49Å; V1407-L1411 HydrophobicContact CG1-CD1 3.35Å; V1407-L1411 HydrophobicContact CG1-CD2 4.17Å; V1407-L1411 HydrophobicContact CG1-CG 3.58Å; V1407-L1411 WeakPolarHBondContact O-CB 3.44Å; V1407-L1411 WeakPolarHBondContact O-CG 3.4Å; V1407-L1411 PolarHBondContact O-N 3.2Å |
| 1408 | E | 51.6 | Low | 59.1 | Low | 91 Ų | 91 | 39 Ų | 39 | 43% | 0.425 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -31.3 | -42.5 | 168.5 | -68.2 | 157.5 | -146.7 | 0 | 0 | 115.6 | S1341 P1406 Q1412 | S1341-E1408 WeakPolarHBondContact CB-OE2 3.31Å; S1341-E1408 PolarHBondContact OG-OE1 3.33Å; S1341-E1408 PolarHBondContact OG-OE2 3.06Å; P1406-E1408 VanDerWaalsContact C-N 3.33Å; P1406-E1408 PolarHBondContact O-N 3.27Å; E1408-Q1412 WeakPolarHBondContact O-CB 3.46Å; E1408-Q1412 PolarHBondContact O-N 3.34Å; E1408-Q1412 VanDerWaalsContact O-N 3.07Å |
| 1409 | F | 51.4 | Low | 56.6 | Low | 25 Ų | 25 | 44.3 Ų | 44.3 | 11% | 0.11 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -81.1 | -45.9 | -176.3 | 178.8 | -99.4 | 0 | 0 | 0 | 113.7 | T1321 F1349 V1350 T1351 P1406 V1407 L1411 Q1412 I1413 | T1321-F1409 HydrophobicContact CG2-CE2 3.66Å; T1321-F1409 HydrophobicContact CG2-CZ 3.7Å; F1349-F1409 HydrophobicContact CB-CD1 3.87Å; F1349-F1409 HydrophobicContact CB-CE1 3.36Å; F1349-F1409 HydrophobicContact CB-CE2 4.34Å; F1349-F1409 HydrophobicContact CB-CZ 3.62Å; F1349-F1409 HydrophobicContact CD1-CD1 4.49Å; F1349-F1409 HydrophobicContact CG-CD1 4.32Å; F1349-F1409 HydrophobicContact CG-CE1 4.26Å; V1350-F1409 WeakPolarHBondContact O-CE1 3.3Å; T1351-F1409 HydrophobicContact CG2-CE2 4.18Å; T1351-F1409 HydrophobicContact CG2-CZ 3.7Å; P1406-F1409 HydrophobicContact CG-CB 4.14Å; P1406-F1409 WeakPolarHBondContact O-CB 3.47Å; P1406-F1409 PolarHBondContact O-N 2.81Å; V1407-F1409 PolarHBondContact O-N 3.44Å; F1409-L1411 PolarHBondContact O-N 3.5Å; F1409-Q1412 PolarHBondContact O-N 3.41Å; F1409-I1413 HydrophobicContact CD1-CD1 4.19Å; F1409-I1413 HydrophobicContact CE1-CD1 3.76Å; F1409-I1413 HydrophobicContact CZ-CD1 4.02Å; F1409-I1413 WeakPolarHBondContact O-CD1 3.45Å; F1409-I1413 WeakPolarHBondContact O-CG1 3.32Å |
| 1410 | A | 41.5 | Very low | 54 | Low | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.7 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | V1407 Q1412 I1413 | V1407-A1410 PolarHBondContact O-N 2.77Å; A1410-Q1412 PolarHBondContact O-N 3.34Å; A1410-I1413 PolarHBondContact O-N 3.48Å |
| 1411 | L | 37.3 | Very low | 51.2 | Low | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -57.5 | -40.2 | 176.2 | -79.3 | -161.4 | 0 | 0 | 0 | 113.9 | D69 R92 V1407 F1409 I1413 | D69-L1411 HydrophobicContact CB-CD2 3.95Å; R92-L1411 HydrophobicContact CB-CD2 3.41Å; R92-L1411 VanDerWaalsContact CB-CD2 3.41Å; R92-L1411 VanDerWaalsContact CD-CB 3.41Å; R92-L1411 WeakPolarHBondContact CD-O 3.32Å; R92-L1411 HydrophobicContact CG-CB 4.41Å; R92-L1411 HydrophobicContact CG-CD1 4.48Å; R92-L1411 HydrophobicContact CG-CD2 3.59Å; R92-L1411 HydrophobicContact CG-CG 4.34Å; R92-L1411 VanDerWaalsContact CZ-CB 3.4Å; R92-L1411 PolarHBondContact NH1-O 3.37Å; V1407-L1411 HydrophobicContact CB-CD1 4.49Å; V1407-L1411 HydrophobicContact CG1-CD1 3.35Å; V1407-L1411 HydrophobicContact CG1-CD2 4.17Å; V1407-L1411 HydrophobicContact CG1-CG 3.58Å; V1407-L1411 WeakPolarHBondContact O-CB 3.44Å; V1407-L1411 WeakPolarHBondContact O-CG 3.4Å; V1407-L1411 PolarHBondContact O-N 3.2Å; F1409-L1411 PolarHBondContact O-N 3.5Å; L1411-I1413 VanDerWaalsContact C-N 3.33Å; L1411-I1413 PolarHBondContact O-N 2.99Å |
| 1412 | Q | 38.8 | Very low | 48.5 | Very low | 58 Ų | 58 | 62.2 Ų | 62.2 | 27% | 0.271 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.8 | -25.6 | -177.5 | -140.8 | 79.6 | -11.5 | 0 | 0 | 113 | E1408 F1409 A1410 N1414 K1415 | E1408-Q1412 WeakPolarHBondContact O-CB 3.46Å; E1408-Q1412 PolarHBondContact O-N 3.34Å; E1408-Q1412 VanDerWaalsContact O-N 3.07Å; F1409-Q1412 PolarHBondContact O-N 3.41Å; A1410-Q1412 PolarHBondContact O-N 3.34Å; Q1412-N1414 PolarHBondContact O-N 3.38Å; Q1412-K1415 PolarHBondContact O-N 3.4Å |
| 1413 | I | 41.8 | Very low | 45.5 | Very low | 21 Ų | 21 | 70.9 Ų | 70.9 | 11% | 0.108 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -68.5 | -26.1 | -178.4 | -64 | 162.7 | 0 | 0 | 0 | 110.9 | P1367 F1409 A1410 L1411 T1416 N1417 | P1367-I1413 HydrophobicContact CB-CD1 3.78Å; P1367-I1413 HydrophobicContact CB-CG2 3.9Å; F1409-I1413 HydrophobicContact CD1-CD1 4.19Å; F1409-I1413 HydrophobicContact CE1-CD1 3.76Å; F1409-I1413 HydrophobicContact CZ-CD1 4.02Å; F1409-I1413 WeakPolarHBondContact O-CD1 3.45Å; F1409-I1413 WeakPolarHBondContact O-CG1 3.32Å; A1410-I1413 PolarHBondContact O-N 3.48Å; L1411-I1413 VanDerWaalsContact C-N 3.33Å; L1411-I1413 PolarHBondContact O-N 2.99Å; I1413-T1416 PolarHBondContact O-OG1 3.24Å; I1413-T1416 VanDerWaalsContact O-OG1 3.14Å; I1413-N1417 PolarHBondContact O-ND2 3.27Å |
| 1414 | N | 37.1 | Very low | 42.6 | Very low | 51 Ų | 51 | 76.8 Ų | 76.8 | 27% | 0.273 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -74.6 | -35.5 | 175.5 | -65.7 | -16.3 | 0 | 0 | 0 | 112.4 | D69 Q1412 T1416 N1417 H1418 | D69-N1414 PolarHBondContact OD1-ND2 3.17Å; Q1412-N1414 PolarHBondContact O-N 3.38Å; N1414-T1416 PolarHBondContact O-N 3.36Å; N1414-T1416 VanDerWaalsContact O-N 3.14Å; N1414-N1417 PolarHBondContact O-N 3.05Å; N1414-H1418 PolarHBondContact O-CD2 3.3Å |
| 1415 | K | 35.5 | Very low | 39.9 | Very low | 94 Ų | 94 | 81.7 Ų | 81.7 | 41% | 0.409 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.5 | -24.9 | 175.2 | -75.2 | -156.8 | 176.2 | -153.4 | 0 | 113.2 | N115 D138 D161 Q1412 | N115-K1415 WeakPolarHBondContact ND2-CE 3.31Å; D138-K1415 WeakPolarHBondContact OD2-CE 3.32Å; D138-K1415 IonicContact OD2-NZ 2.75Å; D138-K1415 PolarHBondContact OD2-NZ 3.1Å; D161-K1415 IonicContact OD2-NZ 3.78Å; D161-K1415 PolarHBondContact OD2-NZ 3.38Å; Q1412-K1415 PolarHBondContact O-N 3.4Å |
| 1416 | T | 38.9 | Very low | 37.5 | Very low | 107 Ų | 107 | 87.4 Ų | 87.4 | 66% | 0.656 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -5.3 | -178.9 | 51.3 | 0 | 0 | 0 | 0 | 115 | I1413 N1414 | I1413-T1416 PolarHBondContact O-OG1 3.24Å; I1413-T1416 VanDerWaalsContact O-OG1 3.14Å; N1414-T1416 PolarHBondContact O-N 3.36Å; N1414-T1416 VanDerWaalsContact O-N 3.14Å |
| 1417 | N | 33.7 | Very low | 35.6 | Very low | 96 Ų | 96 | 96.1 Ų | 96.1 | 51% | 0.513 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.8 | -4.6 | -178.2 | -76.9 | -72.2 | 0 | 0 | 0 | 114.6 | I1413 N1414 S1419 | I1413-N1417 PolarHBondContact O-ND2 3.27Å; N1414-N1417 PolarHBondContact O-N 3.05Å; N1417-S1419 PolarHBondContact O-N 2.96Å |
| 1418 | H | 31.2 | Very low | 34.2 | Very low | 165 Ų | 165 | 99.2 Ų | 99.2 | 76% | 0.764 | 55% | 0.549 | S | S | * | . | trans | -99.3 | 55.9 | -177.8 | -78.7 | -68.1 | 0 | 0 | 0 | 114.9 | N1414 | N1414-H1418 PolarHBondContact O-CD2 3.3Š| ||
| 1419 | S | 31.6 | Very low | 33.3 | Very low | 111 Ų | 111 | 100.6 Ų | 100.6 | 78% | 0.776 | 57% | 0.566 | S | S | * | * | trans | -125 | 97.3 | 158.5 | 66.5 | 0 | 0 | 0 | 0 | 109.6 | N1417 | N1417-S1419 PolarHBondContact O-N 2.96Š| ||
| 1420 | G | 28 | Very low | 32.1 | Very low | 68 Ų | 68 | 104 Ų | 104 | 70% | 0.701 | 60% | 0.599 | S | S | * | * | trans | -90.7 | 165.2 | -160.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1421 | N | 27.5 | Very low | 31.4 | Very low | 163 Ų | 163 | 112 Ų | 112 | 87% | 0.872 | 64% | 0.638 | S | S | * | * | trans | 65.3 | 110.6 | 162.8 | -61.1 | -31.8 | 0 | 0 | 0 | 119.2 | ||||
| 1422 | I | 28.9 | Very low | 30.9 | Very low | 176 Ų | 176 | 116.8 Ų | 116.8 | 90% | 0.903 | 67% | 0.669 | S | S | * | * | trans | -167 | 140.3 | 136.5 | -95.5 | 143.4 | 0 | 0 | 0 | 110 | ||||
| 1423 | E | 26.4 | Very low | 30.2 | Very low | 181 Ų | 181 | 123.4 Ų | 123.4 | 85% | 0.846 | 70% | 0.697 | S | S | * | * | trans | -77.2 | 158.5 | -176.9 | -77 | -170.6 | 143.9 | 0 | 0 | 115 | ||||
| 1424 | P | 27.9 | Very low | 29.4 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 72% | 0.719 | S | S | * | * | trans | -90 | 108.3 | -177 | 34.2 | -33.2 | 0 | 0 | 0 | 114 | ||||
| 1425 | S | 26.8 | Very low | 28.8 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 74% | 0.739 | S | S | * | * | trans | -169 | 139.1 | 145.6 | 45 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1426 | T | 28 | Very low | 28.5 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | 76.5 | 113.5 | 153.3 | 30 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1427 | Y | 28.9 | Very low | 27.8 | Very low | 212 Ų | 212 | 139.6 Ų | 139.6 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | 86.8 | 97.2 | 147.4 | -82.2 | -91.2 | 0 | 0 | 0 | 123.2 | ||||
| 1428 | S | 26.3 | Very low | 27.4 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | 65.4 | 157 | 105.1 | -103.7 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 1429 | P | 32.7 | Very low | 27.3 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | -133.4 | 135.7 | -107.3 | 35.5 | -15.7 | 0 | 0 | 0 | 116 | |||||
| 1430 | A | 25.6 | Very low | 27.2 | Very low | 96 Ų | 96 | 133.8 Ų | 133.8 | 79% | 0.793 | 75% | 0.745 | S | S | * | * | trans | -157.9 | 156.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1431 | M | 26.4 | Very low | 27.6 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | S | Bend | trans | 73.5 | 138.5 | -173.6 | -53.7 | -55.1 | -122.7 | 0 | 0 | 115.9 | ||
| 1432 | P | 26.3 | Very low | 28 | Very low | 105 Ų | 105 | 129.4 Ų | 129.4 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | trans | -88.3 | 124.3 | -156.8 | 33.4 | -35.6 | 0 | 0 | 0 | 114.8 | S1434 | P1432-S1434 VanDerWaalsContact C-N 3.29Å; P1432-S1434 PolarHBondContact O-N 3.2Å | ||
| 1433 | F | 24.7 | Very low | 28.9 | Very low | 198 Ų | 198 | 121.3 Ų | 121.3 | 87% | 0.868 | 67% | 0.666 | S | S | * | * | trans | -71.2 | 79.8 | 160.8 | -81.7 | -103.3 | 0 | 0 | 0 | 110.4 | ||||
| 1434 | S | 24.5 | Very low | 29.2 | Very low | 80 Ų | 80 | 114.2 Ų | 114.2 | 56% | 0.559 | 64% | 0.637 | S | S | * | * | trans | -144.3 | 85.4 | 179.1 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | P1432 | P1432-S1434 VanDerWaalsContact C-N 3.29Å; P1432-S1434 PolarHBondContact O-N 3.2Å | ||
| 1435 | I | 25.8 | Very low | 29.6 | Very low | 136 Ų | 136 | 111.2 Ų | 111.2 | 70% | 0.697 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -173.4 | -36.1 | 152.2 | -96.4 | 148.5 | 0 | 0 | 0 | 108.9 | R1437 S1438 | I1435-R1437 VanDerWaalsContact C-N 3.25Å; I1435-R1437 PolarHBondContact O-N 2.61Å; I1435-S1438 PolarHBondContact O-OG 2.78Å |
| 1436 | I | 27.6 | Very low | 29.8 | Very low | 168 Ų | 168 | 110.8 Ų | 110.8 | 86% | 0.862 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 18.3 | -177.7 | -49.1 | 178 | 0 | 0 | 0 | 113 | ||
| 1437 | R | 25.5 | Very low | 29.8 | Very low | 228 Ų | 228 | 110.4 Ų | 110.4 | 86% | 0.86 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 13.7 | -176.2 | -124.9 | -177 | -168.5 | -169.9 | 4.2 | 115.6 | I1435 | I1435-R1437 VanDerWaalsContact C-N 3.25Å; I1435-R1437 PolarHBondContact O-N 2.61Å |
| 1438 | S | 24.6 | Very low | 29.8 | Very low | 96 Ų | 96 | 106.8 Ų | 106.8 | 67% | 0.671 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -136.8 | 4.8 | -168 | 44.5 | 0 | 0 | 0 | 0 | 116.7 | I1435 | I1435-S1438 PolarHBondContact O-OG 2.78Š|
| 1439 | T | 29.8 | Very low | 30 | Very low | 82 Ų | 82 | 109.6 Ų | 109.6 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -126.1 | -0.6 | -169.9 | 49 | 0 | 0 | 0 | 0 | 116.8 | M1331 | M1331-T1439 HydrophobicContact CE-CG2 3.93Å; M1331-T1439 HydrophobicContact SD-CG2 3.91Å |
| 1440 | M | 29.3 | Very low | 29.8 | Very low | 73 Ų | 73 | 111.2 Ų | 111.2 | 36% | 0.36 | 63% | 0.629 | S | S | . | * | S | Bend | trans | -143.1 | 128.2 | 164.8 | -86.3 | -166 | 166.9 | 0 | 0 | 111.3 | T1351 E1442 | T1351-M1440 HydrophobicContact CG2-CE 4.45Å; M1440-E1442 PolarHBondContact O-N 2.84Å |
| 1441 | P | 35.4 | Very low | 29.9 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 42% | 0.416 | 63% | 0.632 | S | S | . | * | trans | -74.9 | 118.4 | 177.1 | 27.7 | -29.9 | 0 | 0 | 0 | 111 | L1388 | L1388-P1441 HydrophobicContact CD1-CG 3.39Å; L1388-P1441 HydrophobicContact CD2-CG 3.83Å; L1388-P1441 HydrophobicContact CG-CG 4.26Å | ||
| 1442 | E | 36.7 | Very low | 30 | Very low | 75 Ų | 75 | 111.1 Ų | 111.1 | 35% | 0.35 | 63% | 0.625 | S | S | . | * | trans | -69.6 | 131.1 | 163.9 | -175 | 177.5 | -147.3 | 0 | 0 | 109.1 | M1440 A1444 | M1440-E1442 PolarHBondContact O-N 2.84Å; E1442-A1444 VanDerWaalsContact C-N 3.27Å; E1442-A1444 PolarHBondContact O-N 2.69Å | ||
| 1443 | I | 47.1 | Very low | 30.2 | Very low | 6 Ų | 6 | 112.7 Ų | 112.7 | 3% | 0.031 | 63% | 0.632 | C | S | . | * | trans | -71.9 | 85.4 | 179.7 | -60.1 | 163.5 | 0 | 0 | 0 | 109.4 | L1318 L1388 F1391 | L1318-I1443 HydrophobicContact CB-CD1 4.23Å; L1388-I1443 HydrophobicContact CD2-CG1 4.22Å; F1391-I1443 HydrophobicContact CB-CD1 4.05Å; F1391-I1443 HydrophobicContact CB-CG1 4.44Å; F1391-I1443 HydrophobicContact CB-CG2 4.16Å; F1391-I1443 HydrophobicContact CD1-CD1 3.77Å; F1391-I1443 HydrophobicContact CD2-CD1 3.61Å; F1391-I1443 HydrophobicContact CE1-CD1 4.03Å; F1391-I1443 HydrophobicContact CE2-CD1 3.89Å; F1391-I1443 HydrophobicContact CG-CD1 3.55Å; F1391-I1443 HydrophobicContact CG-CG1 4.44Å; F1391-I1443 HydrophobicContact CZ-CD1 4.1Å | ||
| 1444 | A | 34.1 | Very low | 30.5 | Very low | 31 Ų | 31 | 108.2 Ų | 108.2 | 26% | 0.256 | 63% | 0.626 | S | S | . | * | trans | -112.4 | 122.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111 | E1442 A1446 | E1442-A1444 VanDerWaalsContact C-N 3.27Å; E1442-A1444 PolarHBondContact O-N 2.69Å; A1444-A1446 PolarHBondContact O-N 2.91Å | ||
| 1445 | D | 35.7 | Very low | 30.7 | Very low | 62 Ų | 62 | 111.6 Ų | 111.6 | 33% | 0.332 | 64% | 0.638 | S | S | . | * | trans | -61.5 | 132.8 | 173.2 | -80.8 | -35.7 | 0 | 0 | 0 | 111.4 | K1310 | K1310-D1445 IonicContact NZ-OD1 2.68Å; K1310-D1445 PolarHBondContact NZ-OD1 3.3Å; K1310-D1445 IonicContact NZ-OD2 3.07Å; K1310-D1445 PolarHBondContact NZ-OD2 3.28Å | ||
| 1446 | A | 30.7 | Very low | 30.8 | Very low | 99 Ų | 99 | 109.9 Ų | 109.9 | 82% | 0.818 | 64% | 0.638 | S | S | * | * | trans | -88.7 | 99.2 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1444 | A1444-A1446 PolarHBondContact O-N 2.91Š| ||
| 1447 | S | 27.3 | Very low | 30.9 | Very low | 114 Ų | 114 | 110.1 Ų | 110.1 | 80% | 0.797 | 64% | 0.635 | S | S | * | * | trans | -75.4 | 124 | 171.9 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1448 | V | 29.4 | Very low | 31 | Very low | 137 Ų | 137 | 105.8 Ų | 105.8 | 83% | 0.83 | 63% | 0.628 | S | S | * | * | trans | -131.1 | 129 | 164.5 | -180 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1449 | D | 31.2 | Very low | 31.3 | Very low | 160 Ų | 160 | 108.2 Ų | 108.2 | 86% | 0.856 | 63% | 0.634 | S | S | * | * | trans | -67.1 | 144.5 | -171.9 | -68.5 | -67.1 | 0 | 0 | 0 | 114.4 | ||||
| 1450 | D | 27.6 | Very low | 31.2 | Very low | 153 Ų | 153 | 113.3 Ų | 113.3 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -68.1 | 127.9 | 166.5 | -81.7 | -53.9 | 0 | 0 | 0 | 111.8 | ||||
| 1451 | N | 29 | Very low | 31.3 | Very low | 159 Ų | 159 | 115.8 Ų | 115.8 | 85% | 0.85 | 67% | 0.668 | S | S | * | * | trans | -166.3 | 112.5 | 143.4 | -112.2 | -45.3 | 0 | 0 | 0 | 113 | ||||
| 1452 | P | 28.6 | Very low | 31 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | trans | -99.1 | 128.2 | 173.1 | 34.2 | -27.7 | 0 | 0 | 0 | 112 | ||||
| 1453 | T | 30.1 | Very low | 30.6 | Very low | 137 Ų | 137 | 120.7 Ų | 120.7 | 84% | 0.84 | 70% | 0.701 | S | S | * | * | trans | -173.2 | 147.7 | 146.8 | 12.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1454 | S | 31 | Very low | 29.7 | Very low | 104 Ų | 104 | 126.3 Ų | 126.3 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 65.3 | 91.7 | 156.7 | 54.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1455 | N | 27.6 | Very low | 29.8 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | 40.9 | 123.3 | 117.3 | -71.7 | -7.3 | 0 | 0 | 0 | 122.6 | |||||
| 1456 | S | 28.4 | Very low | 29.4 | Very low | 100 Ų | 100 | 141.1 Ų | 141.1 | 70% | 0.699 | 79% | 0.788 | S | S | * | * | trans | 58.4 | 121.4 | 133.3 | 70.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1457 | Q | 29.4 | Very low | 29.4 | Very low | 172 Ų | 172 | 142.8 Ų | 142.8 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | 175.6 | 133.6 | 103.3 | -93.9 | -173.1 | -4.8 | 0 | 0 | 114 | |||||
| 1458 | L | 27.5 | Very low | 29.5 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | trans | 57 | 129.6 | 147.7 | -81.4 | 83.6 | 0 | 0 | 0 | 123.2 | ||||
| 1459 | D | 30.4 | Very low | 29.5 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -48.6 | 148.9 | 153 | -53.8 | -85.3 | 0 | 0 | 0 | 114.5 | ||||
| 1460 | K | 28.7 | Very low | 29.4 | Very low | 188 Ų | 188 | 145.2 Ų | 145.2 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | -176.8 | 141.7 | 125.7 | -104.4 | 159.4 | -174.3 | 172.4 | 0 | 116.6 | |||||
| 1461 | V | 31.7 | Very low | 29.4 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 78% | 0.776 | S | S | * | * | trans | 76.2 | 91.7 | 148.7 | -176.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1462 | N | 29.1 | Very low | 29.6 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 37.2 | 125.1 | 112.7 | -76 | -8.9 | 0 | 0 | 0 | 122.5 | |||||
| 1463 | S | 28.3 | Very low | 29.7 | Very low | 99 Ų | 99 | 142 Ų | 142 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | 89.5 | 144.7 | 120.4 | 71.7 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1464 | T | 26.9 | Very low | 29.6 | Very low | 123 Ų | 123 | 143 Ų | 143 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | 61.8 | 105.7 | 160.5 | 41.4 | 0 | 0 | 0 | 0 | 119 | ||||
| 1465 | H | 36.2 | Very low | 29.6 | Very low | 192 Ų | 192 | 149.7 Ų | 149.7 | 89% | 0.889 | 79% | 0.793 | S | S | * | * | -150.3 | 162 | 101 | -118.1 | -90.1 | 0 | 0 | 0 | 112 | |||||
| 1466 | R | 28.1 | Very low | 29.7 | Very low | 212 Ų | 212 | 149.6 Ų | 149.6 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -131.4 | 153 | -159.1 | -153.5 | -161.9 | 173.5 | 175 | -4.1 | 109.2 | ||||
| 1467 | L | 30.1 | Very low | 29.8 | Very low | 135 Ų | 135 | 152.2 Ų | 152.2 | 71% | 0.707 | 80% | 0.797 | S | S | * | * | trans | 76.9 | 151.9 | 159.5 | -66.8 | 159.9 | 0 | 0 | 0 | 119.8 | ||||
| 1468 | N | 29.3 | Very low | 29.8 | Very low | 141 Ų | 141 | 151.1 Ų | 151.1 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 77.3 | 134.5 | 170 | -57.8 | -4.7 | 0 | 0 | 0 | 116 | ||||
| 1469 | L | 29.3 | Very low | 30 | Very low | 143 Ų | 143 | 151.9 Ų | 151.9 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | cis | -148.8 | 150.5 | 6.6 | -154.5 | 75.8 | 0 | 0 | 0 | 111.8 | ||||
| 1470 | E | 29.8 | Very low | 29.9 | Very low | 178 Ų | 178 | 152.2 Ų | 152.2 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -64.4 | 139.2 | 159.5 | -60.9 | 144.9 | 128.5 | 0 | 0 | 110 | ||||
| 1471 | A | 28.2 | Very low | 30 | Very low | 100 Ų | 100 | 149.8 Ų | 149.8 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 154.6 | 95.4 | 150 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1472 | A | 33.7 | Very low | 29.9 | Very low | 106 Ų | 106 | 151.6 Ų | 151.6 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | trans | -179 | 43.9 | 149.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1473 | V | 29.6 | Very low | 30 | Very low | 145 Ų | 145 | 152.2 Ų | 152.2 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -93.1 | 110.7 | 152.4 | 172.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1474 | R | 27.8 | Very low | 30.1 | Very low | 159 Ų | 159 | 156.6 Ų | 156.6 | 60% | 0.6 | 82% | 0.817 | S | S | * | * | trans | 169.1 | 75.1 | 162.7 | -98.1 | 175.5 | -168.5 | -149 | 0.4 | 109.1 | ||||
| 1475 | H | 32.5 | Very low | 30.4 | Very low | 245 Ų | 245 | 159.6 Ų | 159.6 | 100% | 1.134 | 82% | 0.822 | S | S | * | * | trans | -165.9 | 0 | 141.3 | -105.5 | -55.5 | 0 | 0 | 0 | 108.8 |
Retrieved 1,475 of 1,475 residues in 904.8 ms
(Link to these results)