| 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 | 41.4 | Very low | 72.6 | Confident | 200 Ų | 200 | 100.3 Ų | 100.3 | 99% | 0.985 | 49% | 0.487 | S | S | * | . | 0 | -120.5 | 0 | -57.4 | -34.3 | -161.9 | 0 | 0 | 111.2 | Y3 L4 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 3.37Å | |||
| 2 | G | 53.8 | Low | 74.2 | Confident | 53 Ų | 53 | 95.2 Ų | 95.2 | 55% | 0.546 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -37.1 | -45.6 | -156.3 | 0 | 0 | 0 | 0 | 0 | 119 | L4 S5 D6 | G2-L4 PolarHBondContact O-N 3.31Å; G2-S5 WeakPolarHBondContact O-CB 3.31Å; G2-S5 PolarHBondContact O-N 3.34Å; G2-S5 VanDerWaalsContact O-N 3.1Å; G2-D6 WeakPolarHBondContact O-CB 3.38Å; G2-D6 PolarHBondContact O-N 3.45Å |
| 3 | Y | 53.6 | Low | 75.4 | Confident | 193 Ų | 193 | 97.7 Ų | 97.7 | 76% | 0.757 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.6 | -25 | -179.3 | -137.7 | -95.8 | 0 | 0 | 0 | 114.4 | M1 R7 | M1-Y3 VanDerWaalsContact C-N 3.34Å; M1-Y3 PolarHBondContact O-N 3.42Å; Y3-R7 PolarHBondContact O-N 2.67Å |
| 4 | L | 58.4 | Low | 76.4 | Confident | 92 Ų | 92 | 93 Ų | 93 | 48% | 0.482 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76 | -45.7 | 170.7 | -81.6 | 163.6 | 0 | 0 | 0 | 111.3 | M1 G2 D6 R7 R8 | M1-L4 PolarHBondContact O-N 3.37Å; G2-L4 PolarHBondContact O-N 3.31Å; L4-D6 PolarHBondContact O-N 3.19Å; L4-R7 CarbonylContact O-C 3.41Å; L4-R7 WeakPolarHBondContact O-CA 3.23Å; L4-R7 WeakPolarHBondContact O-CB 3.39Å; L4-R7 PolarHBondContact O-N 3.35Å; L4-R8 PolarHBondContact O-N 3.41Å |
| 5 | S | 72.2 | Confident | 77.5 | Confident | 65 Ų | 65 | 86.8 Ų | 86.8 | 46% | 0.455 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55.6 | -41.8 | 174.6 | -39.6 | 0 | 0 | 0 | 0 | 111.4 | G2 R7 R8 K9 | G2-S5 WeakPolarHBondContact O-CB 3.31Å; G2-S5 PolarHBondContact O-N 3.34Å; G2-S5 VanDerWaalsContact O-N 3.1Å; S5-R7 VanDerWaalsContact C-N 3.3Å; S5-R7 PolarHBondContact O-N 3.14Å; S5-R8 PolarHBondContact O-N 3.44Å; S5-K9 PolarHBondContact O-N 2.87Å |
| 6 | D | 81.1 | Confident | 78.2 | Confident | 86 Ų | 86 | 87.1 Ų | 87.1 | 46% | 0.46 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.5 | -24.5 | 175.8 | -125.9 | 45.8 | 0 | 0 | 0 | 113.2 | G2 L4 R10 | G2-D6 WeakPolarHBondContact O-CB 3.38Å; G2-D6 PolarHBondContact O-N 3.45Å; L4-D6 PolarHBondContact O-N 3.19Å; D6-R10 VanDerWaalsContact O-CZ 3.22Å; D6-R10 PolarHBondContact O-NE 2.73Å; D6-R10 PolarHBondContact O-NH2 3.15Å; D6-R10 IonicContact OD2-CZ 2.76Å; D6-R10 IonicContact OD2-NH2 3.19Å; D6-R10 PolarHBondContact OD2-NH2 3.05Å |
| 7 | R | 83.3 | Confident | 78.7 | Confident | 125 Ų | 125 | 89 Ų | 89 | 47% | 0.472 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -81.2 | -46.2 | 171.5 | 178.9 | -174.5 | 172.5 | -145.3 | -4.2 | 110.4 | Y3 L4 S5 R10 L11 | Y3-R7 PolarHBondContact O-N 2.67Å; L4-R7 CarbonylContact O-C 3.41Å; L4-R7 WeakPolarHBondContact O-CA 3.23Å; L4-R7 WeakPolarHBondContact O-CB 3.39Å; L4-R7 PolarHBondContact O-N 3.35Å; S5-R7 VanDerWaalsContact C-N 3.3Å; S5-R7 PolarHBondContact O-N 3.14Å; R7-R10 PolarHBondContact O-N 3.47Å; R7-L11 HydrophobicContact CG-CD1 4.17Å; R7-L11 PolarHBondContact O-N 2.89Å |
| 8 | R | 88.8 | Confident | 79.2 | Confident | 23 Ų | 23 | 84.3 Ų | 84.3 | 9% | 0.087 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -58.6 | -51.5 | 179.9 | -163 | -177.3 | 178.8 | -179.7 | 6.8 | 110.8 | L4 S5 R10 L11 I12 P31 D32 D1265 S1266 | L4-R8 PolarHBondContact O-N 3.41Å; S5-R8 PolarHBondContact O-N 3.44Å; R8-R10 PolarHBondContact O-N 2.77Å; R8-L11 CarbonylContact O-C 3.59Å; R8-L11 WeakPolarHBondContact O-CA 3.4Å; R8-L11 WeakPolarHBondContact O-CB 3.38Å; R8-L11 PolarHBondContact O-N 3.46Å; R8-I12 HydrophobicContact CG-CD1 3.97Å; R8-I12 HydrophobicContact CG-CG1 4.46Å; R8-I12 WeakPolarHBondContact O-CG1 3.43Å; R8-I12 PolarHBondContact O-N 3.07Å; R8-P31 VanDerWaalsContact CZ-O 3.25Å; R8-P31 PolarHBondContact NE-O 2.95Å; R8-P31 PolarHBondContact NH2-O 3.36Å; R8-D32 WeakPolarHBondContact CD-O 3.23Å; R8-D32 PolarHBondContact NE-O 3.26Å; R8-D32 VanDerWaalsContact NH2-CA 3.31Å; R8-D1265 IonicContact CZ-OD2 3.91Å; R8-D1265 IonicContact NE-OD2 3.55Å; R8-D1265 VanDerWaalsContact NH1-CB 3.32Å; R8-D1265 IonicContact NH1-OD2 3.38Å; R8-D1265 PolarHBondContact NH1-OD2 3.29Å; R8-D1265 IonicContact NH2-OD1 3.46Å; R8-D1265 IonicContact NH2-OD2 2.7Å; R8-D1265 PolarHBondContact NH2-OD2 3.42Å; R8-D1265 VanDerWaalsContact NH2-OD2 3.09Å; R8-S1266 PolarHBondContact NH2-OG 3.26Å |
| 9 | K | 87.2 | Confident | 79.8 | Confident | 146 Ų | 146 | 80.9 Ų | 80.9 | 64% | 0.635 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -55 | -47.1 | 176.7 | -75.2 | -174.3 | 175.1 | -177.4 | 0 | 113.1 | S5 L11 I12 E13 | S5-K9 PolarHBondContact O-N 2.87Å; K9-L11 VanDerWaalsContact C-N 3.27Å; K9-L11 PolarHBondContact O-N 3.44Å; K9-I12 PolarHBondContact O-N 3.36Å; K9-E13 WeakPolarHBondContact O-CG 3.21Å; K9-E13 PolarHBondContact O-N 3.05Å |
| 10 | R | 88.8 | Confident | 80.1 | Confident | 105 Ų | 105 | 82 Ų | 82 | 40% | 0.396 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -67.8 | -22.4 | 176.9 | -79.5 | 179.6 | -70.7 | -144.6 | -12.9 | 114 | D6 R7 R8 Q14 | D6-R10 VanDerWaalsContact O-CZ 3.22Å; D6-R10 PolarHBondContact O-NE 2.73Å; D6-R10 PolarHBondContact O-NH2 3.15Å; D6-R10 IonicContact OD2-CZ 2.76Å; D6-R10 IonicContact OD2-NH2 3.19Å; D6-R10 PolarHBondContact OD2-NH2 3.05Å; R7-R10 PolarHBondContact O-N 3.47Å; R8-R10 PolarHBondContact O-N 2.77Å; R10-Q14 WeakPolarHBondContact O-CG 3.05Å; R10-Q14 PolarHBondContact O-NE2 2.8Å |
| 11 | L | 90.2 | Very high | 79.9 | Confident | 15 Ų | 15 | 80.8 Ų | 80.8 | 8% | 0.079 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -80.2 | -42.4 | 170.9 | -87 | 165.5 | 0 | 0 | 0 | 111.4 | R7 R8 K9 E13 Q14 V15 P31 C35 F37 L112 | R7-L11 HydrophobicContact CG-CD1 4.17Å; R7-L11 PolarHBondContact O-N 2.89Å; R8-L11 CarbonylContact O-C 3.59Å; R8-L11 WeakPolarHBondContact O-CA 3.4Å; R8-L11 WeakPolarHBondContact O-CB 3.38Å; R8-L11 PolarHBondContact O-N 3.46Å; K9-L11 VanDerWaalsContact C-N 3.27Å; K9-L11 PolarHBondContact O-N 3.44Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 3.33Å; L11-Q14 PolarHBondContact O-N 2.91Å; L11-Q14 VanDerWaalsContact O-N 3.11Å; L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.29Å; L11-P31 HydrophobicContact CB-CG 3.89Å; L11-C35 HydrophobicContact CD1-CB 3.81Å; L11-F37 HydrophobicContact CD2-CE1 3.92Å; L11-L112 HydrophobicContact CD2-CD2 4.21Å |
| 12 | I | 91.2 | Very high | 81.6 | Confident | 39 Ų | 39 | 73 Ų | 73 | 20% | 0.2 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.6 | -48.1 | 172.9 | -66.5 | 163.8 | 0 | 0 | 0 | 110.2 | R8 K9 Q14 V15 L16 I30 P31 | R8-I12 HydrophobicContact CG-CD1 3.97Å; R8-I12 HydrophobicContact CG-CG1 4.46Å; R8-I12 WeakPolarHBondContact O-CG1 3.43Å; R8-I12 PolarHBondContact O-N 3.07Å; K9-I12 PolarHBondContact O-N 3.36Å; I12-Q14 VanDerWaalsContact C-N 3.31Å; I12-Q14 PolarHBondContact O-N 3.42Å; I12-V15 PolarHBondContact O-N 3Å; I12-L16 HydrophobicContact CG2-CD1 3.72Å; I12-L16 HydrophobicContact CG2-CG 4.25Å; I12-L16 WeakPolarHBondContact O-CB 3.29Å; I12-L16 WeakPolarHBondContact O-CG 3.24Å; I12-L16 PolarHBondContact O-N 3.32Å; I12-I30 HydrophobicContact CD1-CG2 4.49Å; I12-I30 HydrophobicContact CG1-CG2 4.07Å; I12-P31 HydrophobicContact CG1-CG 4.29Å |
| 13 | E | 89.8 | Confident | 82.7 | Confident | 128 Ų | 128 | 73.4 Ų | 73.4 | 60% | 0.598 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -55.1 | -42.8 | 175.7 | -72.9 | 171.1 | 158.9 | 0 | 0 | 112.8 | K9 L11 E17 | K9-E13 WeakPolarHBondContact O-CG 3.21Å; K9-E13 PolarHBondContact O-N 3.05Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 3.33Å; E13-E17 WeakPolarHBondContact O-CB 3.47Å; E13-E17 PolarHBondContact O-N 2.64Å |
| 14 | Q | 90.2 | Very high | 83.9 | Confident | 32 Ų | 32 | 69.8 Ų | 69.8 | 15% | 0.15 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73 | -36.3 | 179.1 | -73.3 | 166.2 | 69.3 | 0 | 0 | 113.1 | R10 L11 I12 W18 L112 | R10-Q14 WeakPolarHBondContact O-CG 3.05Å; R10-Q14 PolarHBondContact O-NE2 2.8Å; L11-Q14 PolarHBondContact O-N 2.91Å; L11-Q14 VanDerWaalsContact O-N 3.11Å; I12-Q14 VanDerWaalsContact C-N 3.31Å; I12-Q14 PolarHBondContact O-N 3.42Å; Q14-W18 VanDerWaalsContact O-CB 3.23Å; Q14-W18 WeakPolarHBondContact O-CB 3.38Å; Q14-W18 PolarHBondContact O-N 3.25Å; Q14-L112 HydrophobicContact CB-CD1 4.34Å; Q14-L112 HydrophobicContact CB-CD2 4.38Å |
| 15 | V | 92.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -66.6 | -46.6 | 176.4 | 160.8 | 0 | 0 | 0 | 0 | 109.6 | L11 I12 W18 N19 L28 P31 F37 L112 | L11-V15 WeakPolarHBondContact O-CG2 3.4Å; L11-V15 PolarHBondContact O-N 3.29Å; I12-V15 PolarHBondContact O-N 3Å; V15-W18 WeakPolarHBondContact O-CB 3.39Å; V15-W18 PolarHBondContact O-N 2.92Å; V15-N19 WeakPolarHBondContact O-CB 3.36Å; V15-N19 PolarHBondContact O-N 2.85Å; V15-N19 PolarHBondContact O-OD1 2.89Å; V15-N19 VanDerWaalsContact O-OD1 3.07Å; V15-L28 HydrophobicContact CG1-CB 4.07Å; V15-L28 WeakPolarHBondContact CG1-O 3.39Å; V15-L28 HydrophobicContact CG2-CB 4.4Å; V15-L28 HydrophobicContact CG2-CD1 4.44Å; V15-P31 HydrophobicContact CG2-CG 4.11Å; V15-F37 HydrophobicContact CG2-CD2 4.27Å; V15-F37 HydrophobicContact CG2-CG 4.4Å; V15-L112 HydrophobicContact CG2-CD2 4.38Å |
| 16 | L | 89.3 | Confident | 85.6 | Confident | 92 Ų | 92 | 69.2 Ų | 69.2 | 48% | 0.482 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.6 | -42.2 | 175.9 | -65.9 | 173.2 | 0 | 0 | 0 | 112.2 | I12 W18 S20 | I12-L16 HydrophobicContact CG2-CD1 3.72Å; I12-L16 HydrophobicContact CG2-CG 4.25Å; I12-L16 WeakPolarHBondContact O-CB 3.29Å; I12-L16 WeakPolarHBondContact O-CG 3.24Å; I12-L16 PolarHBondContact O-N 3.32Å; L16-W18 VanDerWaalsContact C-N 3.34Å; L16-W18 PolarHBondContact O-N 2.89Å; L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.24Å; L16-S20 PolarHBondContact O-N 3.38Å; L16-S20 PolarHBondContact O-OG 3.41Å |
| 17 | E | 86.7 | Confident | 86 | Confident | 119 Ų | 119 | 70.2 Ų | 70.2 | 56% | 0.556 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.9 | -44 | 172.9 | -176 | -178.2 | -162.8 | 0 | 0 | 111.3 | E13 S20 | E13-E17 WeakPolarHBondContact O-CB 3.47Å; E13-E17 PolarHBondContact O-N 2.64Å; E17-S20 PolarHBondContact O-OG 3.15Å |
| 18 | W | 88.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.015 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.4 | -58.5 | 176 | 179.6 | -90.3 | 0 | 0 | 0 | 111.1 | Q14 V15 L16 S20 S21 R22 L28 Q111 L112 | Q14-W18 VanDerWaalsContact O-CB 3.23Å; Q14-W18 WeakPolarHBondContact O-CB 3.38Å; Q14-W18 PolarHBondContact O-N 3.25Å; V15-W18 WeakPolarHBondContact O-CB 3.39Å; V15-W18 PolarHBondContact O-N 2.92Å; L16-W18 VanDerWaalsContact C-N 3.34Å; L16-W18 PolarHBondContact O-N 2.89Å; W18-S20 VanDerWaalsContact C-N 3.28Å; W18-S20 PolarHBondContact O-N 3.41Å; W18-S21 PolarHBondContact O-N 2.7Å; W18-S21 PolarHBondContact O-OG 2.89Å; W18-R22 HydrophobicContact CD2-CG 4.41Å; W18-R22 VanDerWaalsContact CE2-NE 3.33Å; W18-R22 HydrophobicContact CG-CG 4.35Å; W18-R22 WeakPolarHBondContact O-CG 3.43Å; W18-L28 HydrophobicContact CB-CD1 4.47Å; W18-L28 VanDerWaalsContact CD1-CD1 3.5Å; W18-L28 HydrophobicContact CD2-CD1 4.5Å; W18-L28 HydrophobicContact CG-CD1 3.93Å; W18-L28 HydrophobicContact CG-CG 4.45Å; W18-Q111 HydrophobicContact CH2-CG 3.69Å; W18-Q111 HydrophobicContact CZ2-CG 3.96Å; W18-Q111 WeakPolarHBondContact CZ3-O 3.31Å; W18-L112 HydrophobicContact CB-CD1 3.84Å; W18-L112 HydrophobicContact CD2-CD1 4.27Å; W18-L112 HydrophobicContact CE3-CD1 4.3Å; W18-L112 HydrophobicContact CG-CD1 4.09Å |
| 19 | N | 89.9 | Confident | 86.7 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.107 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -53.4 | -44 | -177.6 | -64.5 | 0.2 | 0 | 0 | 0 | 111.6 | V15 S21 R22 E27 L28 | V15-N19 WeakPolarHBondContact O-CB 3.36Å; V15-N19 PolarHBondContact O-N 2.85Å; V15-N19 PolarHBondContact O-OD1 2.89Å; V15-N19 VanDerWaalsContact O-OD1 3.07Å; N19-S21 PolarHBondContact O-N 3.23Å; N19-R22 PolarHBondContact O-N 3.39Å; N19-R22 VanDerWaalsContact O-N 3.11Å; N19-E27 HydrophobicContact CB-CG 3.84Å; N19-E27 WeakPolarHBondContact ND2-CG 3.49Å; N19-E27 PolarHBondContact ND2-OE1 3.41Å; N19-L28 PolarHBondContact ND2-O 3.09Å; N19-L28 PolarHBondContact OD1-N 3.25Å |
| 20 | S | 85.2 | Confident | 86.9 | Confident | 102 Ų | 102 | 63 Ų | 63 | 71% | 0.713 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -8.4 | 178.5 | 76.5 | 0 | 0 | 0 | 0 | 115.9 | L16 E17 W18 | L16-S20 VanDerWaalsContact O-CB 3.31Å; L16-S20 WeakPolarHBondContact O-CB 3.24Å; L16-S20 PolarHBondContact O-N 3.38Å; L16-S20 PolarHBondContact O-OG 3.41Å; E17-S20 PolarHBondContact O-OG 3.15Å; W18-S20 VanDerWaalsContact C-N 3.28Å; W18-S20 PolarHBondContact O-N 3.41Å |
| 21 | S | 75.6 | Confident | 87.1 | Confident | 57 Ų | 57 | 58 Ų | 58 | 40% | 0.399 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | 13.3 | -177.4 | 73.6 | 0 | 0 | 0 | 0 | 113.9 | W18 N19 | W18-S21 PolarHBondContact O-N 2.7Å; W18-S21 PolarHBondContact O-OG 2.89Å; N19-S21 PolarHBondContact O-N 3.23Å |
| 22 | R | 77.2 | Confident | 87.1 | Confident | 37 Ų | 37 | 57.5 Ų | 57.5 | 14% | 0.14 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -125.6 | 174.4 | -171.1 | -63 | -73.8 | 165.7 | -104.2 | 12.3 | 111.3 | W18 N19 T258 | W18-R22 HydrophobicContact CD2-CG 4.41Å; W18-R22 VanDerWaalsContact CE2-NE 3.33Å; W18-R22 HydrophobicContact CG-CG 4.35Å; W18-R22 WeakPolarHBondContact O-CG 3.43Å; N19-R22 PolarHBondContact O-N 3.39Å; N19-R22 VanDerWaalsContact O-N 3.11Å; R22-T258 VanDerWaalsContact NH1-C 3.27Å; R22-T258 PolarHBondContact NH1-O 3.24Å; R22-T258 PolarHBondContact NH2-O 3.32Å |
| 23 | L | 77.7 | Confident | 86.8 | Confident | 62 Ų | 62 | 62 Ų | 62 | 33% | 0.325 | 32% | 0.323 | S | S | . | . | trans | -82.4 | 147.7 | 160.3 | -72 | 165 | 0 | 0 | 0 | 108.6 | L25 F26 E27 F257 I261 | L23-L25 PolarHBondContact O-N 2.69Å; L23-F26 HydrophobicContact CB-CD2 4.35Å; L23-F26 CarbonylContact O-C 3.52Å; L23-F26 WeakPolarHBondContact O-CA 3.32Å; L23-F26 PolarHBondContact O-N 3.05Å; L23-E27 PolarHBondContact O-N 3.38Å; L23-F257 HydrophobicContact CD1-CD1 3.66Å; L23-F257 HydrophobicContact CD1-CE1 3.48Å; L23-F257 VanDerWaalsContact CD1-CE1 3.48Å; L23-F257 HydrophobicContact CD1-CZ 4.44Å; L23-F257 HydrophobicContact CD2-CE1 4.48Å; L23-F257 HydrophobicContact CG-CD1 4.27Å; L23-F257 HydrophobicContact CG-CE1 3.84Å; L23-I261 HydrophobicContact CD2-CD1 3.56Å; L23-I261 HydrophobicContact CD2-CG1 4.08Å; L23-I261 HydrophobicContact CG-CD1 4.27Å; L23-I261 HydrophobicContact CG-CG1 4.48Å | ||
| 24 | D | 77.9 | Confident | 86.6 | Confident | 116 Ų | 116 | 62 Ų | 62 | 62% | 0.62 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -54.8 | -34.9 | 179.7 | -51.1 | 21.3 | 0 | 0 | 0 | 111.8 | F26 E27 | D24-F26 PolarHBondContact O-N 3.06Å; D24-F26 VanDerWaalsContact O-N 3.11Å; D24-E27 WeakPolarHBondContact O-CB 3.05Å; D24-E27 PolarHBondContact O-N 3.1Å |
| 25 | L | 79.8 | Confident | 86.5 | Confident | 117 Ų | 117 | 60.6 Ų | 60.6 | 61% | 0.613 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -58.7 | -22.1 | 172.7 | -177.3 | 61.9 | 0 | 0 | 0 | 114.1 | L23 V40 | L23-L25 PolarHBondContact O-N 2.69Å; L25-V40 WeakPolarHBondContact O-CB 3.23Å; L25-V40 WeakPolarHBondContact O-CG2 3.34Å |
| 26 | F | 88.4 | Confident | 86.5 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | G | 310 helix | trans | -113.6 | 21 | 176.3 | -63.2 | -71.8 | 0 | 0 | 0 | 112.2 | L23 D24 V40 R42 | L23-F26 HydrophobicContact CB-CD2 4.35Å; L23-F26 CarbonylContact O-C 3.52Å; L23-F26 WeakPolarHBondContact O-CA 3.32Å; L23-F26 PolarHBondContact O-N 3.05Å; D24-F26 PolarHBondContact O-N 3.06Å; D24-F26 VanDerWaalsContact O-N 3.11Å; F26-V40 HydrophobicContact CD1-CB 4.25Å; F26-V40 HydrophobicContact CD1-CG1 4.18Å; F26-V40 WeakPolarHBondContact CD1-O 3.3Å; F26-V40 HydrophobicContact CE1-CG1 4.03Å; F26-R42 HydrophobicContact CE1-CB 4.19Å |
| 27 | E | 87.5 | Confident | 86.7 | Confident | 107 Ų | 107 | 59.1 Ų | 59.1 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 141.3 | 171.6 | -161.2 | 176 | -167.9 | 0 | 0 | 110.9 | N19 L23 D24 | N19-E27 HydrophobicContact CB-CG 3.84Å; N19-E27 WeakPolarHBondContact ND2-CG 3.49Å; N19-E27 PolarHBondContact ND2-OE1 3.41Å; L23-E27 PolarHBondContact O-N 3.38Å; D24-E27 WeakPolarHBondContact O-CB 3.05Å; D24-E27 PolarHBondContact O-N 3.1Å |
| 28 | L | 92.9 | Very high | 87.1 | Confident | 5 Ų | 5 | 54 Ų | 54 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -97.8 | 135.3 | 171.4 | -54.6 | -178.5 | 0 | 0 | 0 | 109.5 | V15 W18 N19 F37 N38 L108 L112 | V15-L28 HydrophobicContact CG1-CB 4.07Å; V15-L28 WeakPolarHBondContact CG1-O 3.39Å; V15-L28 HydrophobicContact CG2-CB 4.4Å; V15-L28 HydrophobicContact CG2-CD1 4.44Å; W18-L28 HydrophobicContact CB-CD1 4.47Å; W18-L28 VanDerWaalsContact CD1-CD1 3.5Å; W18-L28 HydrophobicContact CD2-CD1 4.5Å; W18-L28 HydrophobicContact CG-CD1 3.93Å; W18-L28 HydrophobicContact CG-CG 4.45Å; N19-L28 PolarHBondContact ND2-O 3.09Å; N19-L28 PolarHBondContact OD1-N 3.25Å; L28-F37 HydrophobicContact CB-CD2 4.43Å; L28-F37 HydrophobicContact CD1-CD2 4.36Å; L28-F37 HydrophobicContact CD1-CE2 4.14Å; L28-N38 WeakPolarHBondContact CA-O 3.34Å; L28-L108 HydrophobicContact CD2-CD1 3.86Å; L28-L108 HydrophobicContact CD2-CG 4.47Å; L28-L112 HydrophobicContact CD1-CD1 3.93Å |
| 29 | T | 94.7 | Very high | 87.3 | Confident | 53 Ų | 53 | 54 Ų | 54 | 33% | 0.325 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 151.1 | 175.5 | 67 | 0 | 0 | 0 | 0 | 110.9 | F37 N38 I1268 | T29-F37 WeakPolarHBondContact O-CB 3.36Å; T29-N38 HydrophobicContact CG2-CB 4.35Å; T29-N38 PolarHBondContact N-O 3.41Å; T29-N38 PolarHBondContact OG1-N 3.11Å; T29-N38 PolarHBondContact OG1-O 2.82Å; T29-I1268 HydrophobicContact CG2-CD1 4.02Å; T29-I1268 WeakPolarHBondContact OG1-CD1 3.44Å |
| 30 | I | 92.4 | Very high | 87.5 | Confident | 83 Ų | 83 | 54.4 Ų | 54.4 | 43% | 0.426 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -57.6 | 134.8 | 169.2 | -58.3 | -178.8 | 0 | 0 | 0 | 108.8 | I12 | I12-I30 HydrophobicContact CD1-CG2 4.49Å; I12-I30 HydrophobicContact CG1-CG2 4.07Å |
| 31 | P | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 134.9 | 177.3 | -20.7 | 29.1 | 0 | 0 | 0 | 113.1 | R8 L11 I12 V15 E36 F37 | R8-P31 VanDerWaalsContact CZ-O 3.25Å; R8-P31 PolarHBondContact NE-O 2.95Å; R8-P31 PolarHBondContact NH2-O 3.36Å; L11-P31 HydrophobicContact CB-CG 3.89Å; I12-P31 HydrophobicContact CG1-CG 4.29Å; V15-P31 HydrophobicContact CG2-CG 4.11Å; P31-E36 CarbonylContact C-O 3.59Å; P31-E36 WeakPolarHBondContact CA-O 3.08Å; P31-F37 HydrophobicContact CB-CB 4.25Å; P31-F37 HydrophobicContact CB-CD1 4.34Å; P31-F37 HydrophobicContact CG-CB 4.11Å; P31-F37 HydrophobicContact CG-CD1 4.12Å; P31-F37 HydrophobicContact CG-CG 4.35Å |
| 32 | D | 90.4 | Very high | 88.7 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.027 | 25% | 0.25 | C | S | . | . | trans | -69.4 | -177.6 | 176.3 | 86.6 | -25.5 | 0 | 0 | 0 | 113.2 | R8 K34 C35 E36 S1266 | R8-D32 WeakPolarHBondContact CD-O 3.23Å; R8-D32 PolarHBondContact NE-O 3.26Å; R8-D32 VanDerWaalsContact NH2-CA 3.31Å; D32-K34 VanDerWaalsContact CG-N 3.33Å; D32-K34 PolarHBondContact O-N 3.11Å; D32-K34 VanDerWaalsContact OD1-C 3.3Å; D32-K34 VanDerWaalsContact OD1-CA 3.26Å; D32-K34 WeakPolarHBondContact OD1-CA 3.12Å; D32-K34 VanDerWaalsContact OD1-CB 3.31Å; D32-K34 WeakPolarHBondContact OD1-CB 3.46Å; D32-K34 PolarHBondContact OD1-N 3.47Å; D32-K34 WeakPolarHBondContact OD2-CG 3.32Å; D32-K34 IonicContact OD2-NZ 2.79Å; D32-K34 PolarHBondContact OD2-NZ 3.38Å; D32-C35 WeakPolarHBondContact O-CA 3.31Å; D32-C35 PolarHBondContact O-N 3.08Å; D32-C35 PolarHBondContact OD1-N 3.2Å; D32-E36 PolarHBondContact N-O 3.18Å; D32-E36 WeakPolarHBondContact OD1-CA 3.43Å; D32-E36 WeakPolarHBondContact OD1-CB 3.41Å; D32-E36 PolarHBondContact OD1-N 3.17Å; D32-S1266 WeakPolarHBondContact CB-O 3.35Å | ||
| 33 | E | 85.1 | Confident | 89.6 | Confident | 135 Ų | 135 | 49.6 Ų | 49.6 | 63% | 0.631 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -36.4 | 174.4 | -62.4 | -160.3 | 123.9 | 0 | 0 | 113.7 | C35 | E33-C35 PolarHBondContact O-N 3.46Š|
| 34 | K | 85.7 | Confident | 90.4 | Very high | 126 Ų | 126 | 47.5 Ų | 47.5 | 55% | 0.548 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -5.1 | 177.2 | -50.5 | -173.3 | -134 | 83.1 | 0 | 112.7 | D32 E36 | D32-K34 VanDerWaalsContact CG-N 3.33Å; D32-K34 PolarHBondContact O-N 3.11Å; D32-K34 VanDerWaalsContact OD1-C 3.3Å; D32-K34 VanDerWaalsContact OD1-CA 3.26Å; D32-K34 WeakPolarHBondContact OD1-CA 3.12Å; D32-K34 VanDerWaalsContact OD1-CB 3.31Å; D32-K34 WeakPolarHBondContact OD1-CB 3.46Å; D32-K34 PolarHBondContact OD1-N 3.47Å; D32-K34 WeakPolarHBondContact OD2-CG 3.32Å; D32-K34 IonicContact OD2-NZ 2.79Å; D32-K34 PolarHBondContact OD2-NZ 3.38Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 HydrophobicContact CB-CG 4.12Å; K34-E36 IonicContact NZ-OE2 3.78Å; K34-E36 PolarHBondContact NZ-OE2 3.46Å |
| 35 | C | 87.8 | Confident | 91.1 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.02 | 20% | 0.204 | C | C | . | . | S | Bend | trans | 67.2 | 23.5 | -169.6 | -53.8 | 0 | 0 | 0 | 0 | 114.2 | L11 D32 E33 | L11-C35 HydrophobicContact CD1-CB 3.81Å; D32-C35 WeakPolarHBondContact O-CA 3.31Å; D32-C35 PolarHBondContact O-N 3.08Å; D32-C35 PolarHBondContact OD1-N 3.2Å; E33-C35 PolarHBondContact O-N 3.46Å |
| 36 | E | 91.2 | Very high | 91.5 | Very high | 61 Ų | 61 | 38.3 Ų | 38.3 | 29% | 0.285 | 18% | 0.182 | S | C | . | . | trans | -84 | 133.5 | 170.6 | -62.1 | -172.2 | 113.5 | 0 | 0 | 110.7 | P31 D32 K34 S61 S62 | P31-E36 CarbonylContact C-O 3.59Å; P31-E36 WeakPolarHBondContact CA-O 3.08Å; D32-E36 PolarHBondContact N-O 3.18Å; D32-E36 WeakPolarHBondContact OD1-CA 3.43Å; D32-E36 WeakPolarHBondContact OD1-CB 3.41Å; D32-E36 PolarHBondContact OD1-N 3.17Å; K34-E36 VanDerWaalsContact C-N 3.3Å; K34-E36 HydrophobicContact CB-CG 4.12Å; K34-E36 IonicContact NZ-OE2 3.78Å; K34-E36 PolarHBondContact NZ-OE2 3.46Å; E36-S61 WeakPolarHBondContact CA-OG 3.45Å; E36-S62 WeakPolarHBondContact OE1-CB 3.46Å; E36-S62 PolarHBondContact OE1-OG 3.16Å | ||
| 37 | F | 94.6 | Very high | 91 | Very high | 1 Ų | 1 | 39 Ų | 39 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | trans | -136.4 | 160.8 | 173.7 | 58.4 | -80.8 | 0 | 0 | 0 | 109.8 | L11 V15 L28 T29 P31 S61 L108 L109 L112 | L11-F37 HydrophobicContact CD2-CE1 3.92Å; V15-F37 HydrophobicContact CG2-CD2 4.27Å; V15-F37 HydrophobicContact CG2-CG 4.4Å; L28-F37 HydrophobicContact CB-CD2 4.43Å; L28-F37 HydrophobicContact CD1-CD2 4.36Å; L28-F37 HydrophobicContact CD1-CE2 4.14Å; T29-F37 WeakPolarHBondContact O-CB 3.36Å; P31-F37 HydrophobicContact CB-CB 4.25Å; P31-F37 HydrophobicContact CB-CD1 4.34Å; P31-F37 HydrophobicContact CG-CB 4.11Å; P31-F37 HydrophobicContact CG-CD1 4.12Å; P31-F37 HydrophobicContact CG-CG 4.35Å; F37-S61 VanDerWaalsContact CE1-CB 3.41Å; F37-S61 PolarHBondContact N-OG 2.86Å; F37-S61 VanDerWaalsContact O-CB 3.27Å; F37-S61 WeakPolarHBondContact O-CB 3.24Å; F37-S61 PolarHBondContact O-N 3.46Å; F37-S61 PolarHBondContact O-OG 2.94Å; F37-S61 VanDerWaalsContact O-OG 3.08Å; F37-L108 HydrophobicContact CD2-CD2 3.64Å; F37-L108 HydrophobicContact CD2-CG 4.49Å; F37-L108 HydrophobicContact CE2-CD2 3.51Å; F37-L108 HydrophobicContact CE2-CG 3.93Å; F37-L108 HydrophobicContact CZ-CD2 4.44Å; F37-L109 HydrophobicContact CE1-CD2 3.94Å; F37-L109 HydrophobicContact CZ-CD2 3.74Å; F37-L109 HydrophobicContact CZ-CG 4.29Å; F37-L112 HydrophobicContact CE1-CD2 4.33Å; F37-L112 HydrophobicContact CE2-CD2 3.88Å; F37-L112 HydrophobicContact CZ-CD2 3.52Å | ||
| 38 | N | 95.1 | Very high | 90.4 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 5% | 0.053 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 154.6 | -173.1 | -73.1 | -87.3 | 0 | 0 | 0 | 110.8 | L28 T29 V59 S60 Y1269 | L28-N38 WeakPolarHBondContact CA-O 3.34Å; T29-N38 HydrophobicContact CG2-CB 4.35Å; T29-N38 PolarHBondContact N-O 3.41Å; T29-N38 PolarHBondContact OG1-N 3.11Å; T29-N38 PolarHBondContact OG1-O 2.82Å; N38-V59 WeakPolarHBondContact CA-O 3.25Å; N38-S60 WeakPolarHBondContact OD1-CA 3.33Å; N38-S60 WeakPolarHBondContact OD1-CB 3.24Å; N38-Y1269 HydrophobicContact CB-CD2 4.37Å; N38-Y1269 HydrophobicContact CB-CE2 3.58Å; N38-Y1269 WeakPolarHBondContact ND2-CD2 3.37Å; N38-Y1269 WeakPolarHBondContact ND2-CE2 3.16Å; N38-Y1269 WeakPolarHBondContact OD1-CE2 3.28Å |
| 39 | G | 92.1 | Very high | 89.5 | Confident | 5 Ų | 5 | 47.1 Ų | 47.1 | 5% | 0.052 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 166.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | R58 V59 | G39-R58 WeakPolarHBondContact O-CA 3.46Å; G39-V59 PolarHBondContact N-O 2.74Å; G39-V59 VanDerWaalsContact N-O 3.08Å; G39-V59 PolarHBondContact O-N 3.02Å |
| 40 | V | 94.1 | Very high | 88.4 | Confident | 28 Ų | 28 | 50.4 Ų | 50.4 | 17% | 0.17 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 127.7 | 169.5 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | L25 F26 C56 I57 R58 | L25-V40 WeakPolarHBondContact O-CB 3.23Å; L25-V40 WeakPolarHBondContact O-CG2 3.34Å; F26-V40 HydrophobicContact CD1-CB 4.25Å; F26-V40 HydrophobicContact CD1-CG1 4.18Å; F26-V40 WeakPolarHBondContact CD1-O 3.3Å; F26-V40 HydrophobicContact CE1-CG1 4.03Å; V40-C56 HydrophobicContact CG1-CB 3.7Å; V40-I57 WeakPolarHBondContact CA-O 3.17Å; V40-R58 HydrophobicContact CG2-CG 4.11Å |
| 41 | M | 93.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 137.9 | 174.3 | -69.1 | -169.2 | 71.5 | 0 | 0 | 110.4 | F43 C56 I57 V59 P107 L108 Q111 F123 | M41-F43 HydrophobicContact CB-CD2 4.16Å; M41-F43 HydrophobicContact CB-CE2 3.45Å; M41-F43 VanDerWaalsContact CB-CE2 3.45Å; M41-F43 HydrophobicContact CB-CZ 4.07Å; M41-F43 HydrophobicContact CE-CE1 4.47Å; M41-F43 HydrophobicContact CE-CE2 4.35Å; M41-F43 HydrophobicContact CE-CZ 3.79Å; M41-F43 HydrophobicContact CG-CE2 4.44Å; M41-F43 HydrophobicContact SD-CE2 4.26Å; M41-F43 HydrophobicContact SD-CZ 4Å; M41-C56 VanDerWaalsContact O-CA 3.28Å; M41-C56 WeakPolarHBondContact O-CA 3.15Å; M41-I57 PolarHBondContact N-O 3.27Å; M41-I57 PolarHBondContact O-N 3.48Å; M41-V59 HydrophobicContact CB-CG2 3.94Å; M41-V59 HydrophobicContact CG-CB 4.04Å; M41-V59 HydrophobicContact CG-CG2 3.92Å; M41-V59 HydrophobicContact SD-CB 3.74Å; M41-V59 HydrophobicContact SD-CG1 3.83Å; M41-V59 HydrophobicContact SD-CG2 3.77Å; M41-P107 HydrophobicContact CE-CB 3.66Å; M41-P107 WeakPolarHBondContact CE-O 3.44Å; M41-P107 HydrophobicContact SD-CB 3.91Å; M41-L108 HydrophobicContact CG-CD1 3.49Å; M41-L108 VanDerWaalsContact CG-CD1 3.49Å; M41-L108 HydrophobicContact SD-CB 3.91Å; M41-L108 HydrophobicContact SD-CD1 3.71Å; M41-L108 HydrophobicContact SD-CG 4.45Å; M41-Q111 HydrophobicContact CE-CB 4.15Å; M41-F123 HydrophobicContact CE-CD2 3.59Å; M41-F123 HydrophobicContact CE-CE2 3.3Å; M41-F123 HydrophobicContact CE-CG 4.43Å; M41-F123 HydrophobicContact CE-CZ 3.93Å |
| 42 | R | 93.2 | Very high | 86.9 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 36% | 0.362 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.5 | 173.4 | -175.7 | 179.6 | -69.9 | -82 | 3.8 | 110.8 | F26 F44 T54 C56 | F26-R42 HydrophobicContact CE1-CB 4.19Å; R42-F44 HydrophobicContact CG-CE2 4.26Å; R42-F44 HydrophobicContact CG-CZ 4.35Å; R42-T54 WeakPolarHBondContact CG-OG1 3.46Å; R42-T54 PolarHBondContact NH1-OG1 2.99Å; R42-C56 VanDerWaalsContact CZ-SG 3.56Å |
| 43 | F | 95.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 159.2 | 173.9 | -65.4 | -92.6 | 0 | 0 | 0 | 111.1 | M41 T54 K55 I57 V59 V68 L72 I90 P107 F123 | M41-F43 HydrophobicContact CB-CD2 4.16Å; M41-F43 HydrophobicContact CB-CE2 3.45Å; M41-F43 VanDerWaalsContact CB-CE2 3.45Å; M41-F43 HydrophobicContact CB-CZ 4.07Å; M41-F43 HydrophobicContact CE-CE1 4.47Å; M41-F43 HydrophobicContact CE-CE2 4.35Å; M41-F43 HydrophobicContact CE-CZ 3.79Å; M41-F43 HydrophobicContact CG-CE2 4.44Å; M41-F43 HydrophobicContact SD-CE2 4.26Å; M41-F43 HydrophobicContact SD-CZ 4Å; F43-T54 VanDerWaalsContact O-CA 3.27Å; F43-T54 WeakPolarHBondContact O-CA 3.43Å; F43-T54 WeakPolarHBondContact O-CB 3.3Å; F43-T54 PolarHBondContact O-OG1 2.82Å; F43-K55 PolarHBondContact N-O 3.49Å; F43-K55 PolarHBondContact O-N 3.15Å; F43-K55 VanDerWaalsContact O-N 3.1Å; F43-I57 HydrophobicContact CD2-CD1 3.96Å; F43-I57 HydrophobicContact CD2-CG1 3.72Å; F43-I57 HydrophobicContact CE2-CD1 3.7Å; F43-I57 HydrophobicContact CE2-CG1 3.65Å; F43-V59 HydrophobicContact CE2-CG2 4.14Å; F43-V68 HydrophobicContact CE1-CG1 4.09Å; F43-V68 HydrophobicContact CE2-CG1 4.11Å; F43-V68 HydrophobicContact CZ-CG1 3.61Å; F43-L72 HydrophobicContact CB-CD1 4Å; F43-L72 HydrophobicContact CB-CD2 3.8Å; F43-L72 HydrophobicContact CD1-CD1 3.46Å; F43-L72 VanDerWaalsContact CD1-CD1 3.46Å; F43-L72 HydrophobicContact CD2-CD1 4Å; F43-L72 HydrophobicContact CD2-CD2 3.88Å; F43-L72 HydrophobicContact CD2-CG 4.49Å; F43-L72 HydrophobicContact CE1-CD1 3.88Å; F43-L72 HydrophobicContact CE2-CD1 4.33Å; F43-L72 HydrophobicContact CG-CD1 3.55Å; F43-L72 HydrophobicContact CG-CD2 3.87Å; F43-L72 HydrophobicContact CG-CG 4.35Å; F43-L72 HydrophobicContact CZ-CD1 4.3Å; F43-I90 HydrophobicContact CD1-CG2 4.37Å; F43-I90 HydrophobicContact CE1-CD1 4.12Å; F43-I90 HydrophobicContact CE1-CG2 4.11Å; F43-P107 HydrophobicContact CZ-CB 4.26Å; F43-F123 WeakPolarHBondContact CA-O 3.4Å; F43-F123 HydrophobicContact CD1-CB 3.32Å; F43-F123 HydrophobicContact CD1-CG 4.23Å; F43-F123 HydrophobicContact CE1-CB 3.48Å; F43-F123 VanDerWaalsContact CE1-CB 3.48Å; F43-F123 HydrophobicContact CE1-CD2 4.35Å; F43-F123 AromaticContact CE1-CG 3.9Å; F43-F123 HydrophobicContact CE1-CG 3.9Å; F43-F123 HydrophobicContact CG-CB 4.29Å |
| 44 | F | 94.3 | Very high | 87 | Confident | 18 Ų | 18 | 59.2 Ų | 59.2 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.4 | 173.8 | -60.8 | -95 | 0 | 0 | 0 | 109.6 | R42 R53 K122 F123 V124 L125 | R42-F44 HydrophobicContact CG-CE2 4.26Å; R42-F44 HydrophobicContact CG-CZ 4.35Å; F44-R53 CarbonylContact C-O 3.58Å; F44-R53 WeakPolarHBondContact CA-O 3.21Å; F44-K122 HydrophobicContact CD2-CB 4.07Å; F44-K122 HydrophobicContact CD2-CD 4.5Å; F44-K122 HydrophobicContact CE2-CB 3.93Å; F44-K122 HydrophobicContact CE2-CD 3.96Å; F44-K122 HydrophobicContact CE2-CG 3.97Å; F44-K122 HydrophobicContact CZ-CD 4.28Å; F44-F123 PolarHBondContact N-O 3.34Å; F44-V124 HydrophobicContact CB-CG1 4.4Å; F44-V124 HydrophobicContact CB-CG2 4.43Å; F44-V124 CarbonylContact O-C 3.52Å; F44-V124 VanDerWaalsContact O-CA 3.28Å; F44-V124 WeakPolarHBondContact O-CA 3.24Å; F44-L125 PolarHBondContact O-N 2.79Å |
| 45 | L | 92.3 | Very high | 87.1 | Confident | 7 Ų | 7 | 57 Ų | 57 | 4% | 0.037 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 134 | 164.9 | 169.5 | 63.5 | 0 | 0 | 0 | 108 | F52 R53 F76 I78 F88 L125 | L45-F52 VanDerWaalsContact O-CA 3.28Å; L45-F52 WeakPolarHBondContact O-CA 3.48Å; L45-R53 HydrophobicContact CB-CB 4.4Å; L45-R53 PolarHBondContact N-O 3.13Å; L45-R53 PolarHBondContact O-N 3.33Å; L45-F76 HydrophobicContact CB-CD1 3.94Å; L45-F76 HydrophobicContact CB-CD2 3.86Å; L45-F76 HydrophobicContact CB-CE1 3.87Å; L45-F76 HydrophobicContact CB-CE2 3.78Å; L45-F76 HydrophobicContact CB-CG 3.96Å; L45-F76 HydrophobicContact CB-CZ 3.79Å; L45-F76 HydrophobicContact CD2-CB 4.02Å; L45-F76 HydrophobicContact CD2-CD1 4.25Å; L45-F76 HydrophobicContact CD2-CG 4.06Å; L45-I78 HydrophobicContact CD1-CD1 3.92Å; L45-I78 HydrophobicContact CD2-CD1 3.96Å; L45-I78 HydrophobicContact CD2-CG1 4.14Å; L45-F88 HydrophobicContact CD1-CE1 4.19Å; L45-L125 HydrophobicContact CD1-CD2 4.32Å |
| 46 | Q | 89.4 | Confident | 87.3 | Confident | 32 Ų | 32 | 59.3 Ų | 59.3 | 15% | 0.15 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 111.6 | 164.1 | -169.1 | 170.9 | 0.1 | 0 | 0 | 109.5 | F52 V124 L125 K126 | Q46-F52 HydrophobicContact CB-CD1 4.01Å; Q46-F52 HydrophobicContact CB-CE1 3.62Å; Q46-F52 HydrophobicContact CB-CZ 4.4Å; Q46-F52 HydrophobicContact CG-CD1 4.19Å; Q46-F52 HydrophobicContact CG-CE1 3.56Å; Q46-F52 HydrophobicContact CG-CZ 3.84Å; Q46-V124 HydrophobicContact CB-CG1 4.13Å; Q46-L125 PolarHBondContact N-O 2.69Å; Q46-L125 VanDerWaalsContact N-O 3.08Å; Q46-K126 HydrophobicContact CB-CG 4.25Å |
| 47 | D | 78.3 | Confident | 87.4 | Confident | 44 Ų | 44 | 57.3 Ų | 57.3 | 24% | 0.235 | 27% | 0.267 | C | S | . | . | trans | -66.5 | 161.4 | 170.8 | -79.2 | -27.1 | 0 | 0 | 0 | 110.6 | N49 R50 K51 R53 | D47-N49 PolarHBondContact O-N 3.14Å; D47-N49 VanDerWaalsContact O-N 3.17Å; D47-R50 WeakPolarHBondContact O-CA 3.33Å; D47-R50 PolarHBondContact O-N 3.1Å; D47-K51 PolarHBondContact N-O 3.03Å; D47-R53 IonicContact OD1-CZ 2.88Å; D47-R53 IonicContact OD1-NE 3.43Å; D47-R53 IonicContact OD1-NH2 2.68Å; D47-R53 IonicContact OD2-CZ 3.78Å; D47-R53 VanDerWaalsContact OD2-CZ 3.26Å; D47-R53 IonicContact OD2-NE 3.47Å; D47-R53 PolarHBondContact OD2-NE 2.68Å; D47-R53 IonicContact OD2-NH2 2.7Å; D47-R53 PolarHBondContact OD2-NH2 2.84Å | ||
| 48 | E | 74.8 | Confident | 87.3 | Confident | 141 Ų | 141 | 66.5 Ų | 66.5 | 66% | 0.659 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -35.9 | 179.5 | -61 | -173.8 | 160.9 | 0 | 0 | 111.8 | R50 K86 | E48-R50 PolarHBondContact O-N 3.32Å; E48-K86 IonicContact OE1-NZ 2.7Å; E48-K86 PolarHBondContact OE1-NZ 3.21Å |
| 49 | N | 72.7 | Confident | 87.3 | Confident | 141 Ų | 141 | 66.2 Ų | 66.2 | 75% | 0.754 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | 21.2 | 173.4 | -68 | -22.4 | 0 | 0 | 0 | 114.6 | D47 K51 | D47-N49 PolarHBondContact O-N 3.14Å; D47-N49 VanDerWaalsContact O-N 3.17Å; N49-K51 PolarHBondContact O-N 3.39Å |
| 50 | R | 72.2 | Confident | 87.5 | Confident | 123 Ų | 123 | 66.6 Ų | 66.6 | 46% | 0.464 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 55.3 | 5 | -176 | -57.7 | -179.1 | 169.8 | -127 | -7.5 | 116.4 | D47 E48 F52 P249 D250 | D47-R50 WeakPolarHBondContact O-CA 3.33Å; D47-R50 PolarHBondContact O-N 3.1Å; E48-R50 PolarHBondContact O-N 3.32Å; R50-F52 WeakPolarHBondContact O-CD2 3.41Å; R50-F52 WeakPolarHBondContact O-CE2 3.49Å; R50-P249 PolarHBondContact NH1-O 3.45Å; R50-D250 IonicContact CZ-OD1 3.61Å; R50-D250 IonicContact NH1-OD1 2.79Å; R50-D250 PolarHBondContact NH1-OD1 2.88Å; R50-D250 IonicContact NH2-OD1 3.41Å |
| 51 | K | 70.5 | Confident | 87.5 | Confident | 152 Ų | 152 | 65.7 Ų | 65.7 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | trans | -69.3 | 148.8 | 174.1 | -69.1 | -177.2 | 178.8 | 178.1 | 0 | 110.4 | D47 N49 | D47-K51 PolarHBondContact N-O 3.03Å; N49-K51 PolarHBondContact O-N 3.39Å | ||
| 52 | F | 82.7 | Confident | 87.5 | Confident | 55 Ų | 55 | 68 Ų | 68 | 24% | 0.241 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 124.4 | -176.1 | -65.6 | -81.3 | 0 | 0 | 0 | 112.3 | L45 Q46 R50 V124 L252 P253 | L45-F52 VanDerWaalsContact O-CA 3.28Å; L45-F52 WeakPolarHBondContact O-CA 3.48Å; Q46-F52 HydrophobicContact CB-CD1 4.01Å; Q46-F52 HydrophobicContact CB-CE1 3.62Å; Q46-F52 HydrophobicContact CB-CZ 4.4Å; Q46-F52 HydrophobicContact CG-CD1 4.19Å; Q46-F52 HydrophobicContact CG-CE1 3.56Å; Q46-F52 HydrophobicContact CG-CZ 3.84Å; R50-F52 WeakPolarHBondContact O-CD2 3.41Å; R50-F52 WeakPolarHBondContact O-CE2 3.49Å; F52-V124 HydrophobicContact CD1-CG1 4.45Å; F52-V124 HydrophobicContact CE1-CG1 4.09Å; F52-L252 HydrophobicContact CD1-CD2 3.89Å; F52-L252 HydrophobicContact CE1-CD2 3.42Å; F52-L252 VanDerWaalsContact CE1-CD2 3.42Å; F52-L252 HydrophobicContact CE1-CG 3.85Å; F52-L252 HydrophobicContact CE2-CB 4.48Å; F52-L252 HydrophobicContact CE2-CD2 4.29Å; F52-L252 HydrophobicContact CE2-CG 3.91Å; F52-L252 HydrophobicContact CG-CD2 4.49Å; F52-L252 HydrophobicContact CZ-CD1 4.4Å; F52-L252 HydrophobicContact CZ-CD2 3.67Å; F52-L252 HydrophobicContact CZ-CG 3.51Å; F52-P253 HydrophobicContact CB-CG 4.3Å; F52-P253 HydrophobicContact CD2-CG 4.37Å |
| 53 | R | 84.9 | Confident | 87.6 | Confident | 142 Ų | 142 | 64.9 Ų | 64.9 | 54% | 0.536 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 163 | 165.6 | -48.7 | -173.8 | -162.3 | -160.2 | 5.6 | 109 | F44 L45 D47 F76 | F44-R53 CarbonylContact C-O 3.58Å; F44-R53 WeakPolarHBondContact CA-O 3.21Å; L45-R53 HydrophobicContact CB-CB 4.4Å; L45-R53 PolarHBondContact N-O 3.13Å; L45-R53 PolarHBondContact O-N 3.33Å; D47-R53 IonicContact OD1-CZ 2.88Å; D47-R53 IonicContact OD1-NE 3.43Å; D47-R53 IonicContact OD1-NH2 2.68Å; D47-R53 IonicContact OD2-CZ 3.78Å; D47-R53 VanDerWaalsContact OD2-CZ 3.26Å; D47-R53 IonicContact OD2-NE 3.47Å; D47-R53 PolarHBondContact OD2-NE 2.68Å; D47-R53 IonicContact OD2-NH2 2.7Å; D47-R53 PolarHBondContact OD2-NH2 2.84Å; R53-F76 HydrophobicContact CB-CD1 4.44Å; R53-F76 HydrophobicContact CB-CE1 4.1Å |
| 54 | T | 92.2 | Very high | 87.6 | Confident | 59 Ų | 59 | 69.6 Ų | 69.6 | 36% | 0.362 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 144.9 | 176.3 | -176.6 | 0 | 0 | 0 | 0 | 111.7 | R42 F43 | R42-T54 WeakPolarHBondContact CG-OG1 3.46Å; R42-T54 PolarHBondContact NH1-OG1 2.99Å; F43-T54 VanDerWaalsContact O-CA 3.27Å; F43-T54 WeakPolarHBondContact O-CA 3.43Å; F43-T54 WeakPolarHBondContact O-CB 3.3Å; F43-T54 PolarHBondContact O-OG1 2.82Å |
| 55 | K | 88.5 | Confident | 87.7 | Confident | 79 Ų | 79 | 69 Ų | 69 | 34% | 0.343 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 153.2 | 165.6 | -84.4 | -160.6 | 171.8 | -173.8 | 0 | 110.1 | F43 K75 F76 | F43-K55 PolarHBondContact N-O 3.49Å; F43-K55 PolarHBondContact O-N 3.15Å; F43-K55 VanDerWaalsContact O-N 3.1Å; K55-K75 HydrophobicContact CD-CB 4.24Å; K55-K75 VanDerWaalsContact CD-O 3.22Å; K55-K75 WeakPolarHBondContact CD-O 3.29Å; K55-K75 WeakPolarHBondContact CE-O 3.24Å; K55-K75 PolarHBondContact NZ-O 3.02Å; K55-F76 HydrophobicContact CB-CE1 4.01Å; K55-F76 HydrophobicContact CB-CZ 4.05Å; K55-F76 HydrophobicContact CG-CD1 4.31Å; K55-F76 HydrophobicContact CG-CE1 3.97Å |
| 56 | C | 92.6 | Very high | 87.7 | Confident | 51 Ų | 51 | 70.5 Ų | 70.5 | 35% | 0.345 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 140 | 165.5 | -67.1 | 0 | 0 | 0 | 0 | 108.6 | V40 M41 R42 | V40-C56 HydrophobicContact CG1-CB 3.7Å; M41-C56 VanDerWaalsContact O-CA 3.28Å; M41-C56 WeakPolarHBondContact O-CA 3.15Å; R42-C56 VanDerWaalsContact CZ-SG 3.56Å |
| 57 | I | 92.9 | Very high | 87.9 | Confident | 20 Ų | 20 | 73 Ų | 73 | 10% | 0.103 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 150.5 | 172.8 | 51.8 | 165.7 | 0 | 0 | 0 | 109.6 | V40 M41 F43 V59 V68 V71 L72 K75 | V40-I57 WeakPolarHBondContact CA-O 3.17Å; M41-I57 PolarHBondContact N-O 3.27Å; M41-I57 PolarHBondContact O-N 3.48Å; F43-I57 HydrophobicContact CD2-CD1 3.96Å; F43-I57 HydrophobicContact CD2-CG1 3.72Å; F43-I57 HydrophobicContact CE2-CD1 3.7Å; F43-I57 HydrophobicContact CE2-CG1 3.65Å; I57-V59 HydrophobicContact CD1-CG2 3.87Å; I57-V59 HydrophobicContact CG1-CG2 3.86Å; I57-V68 HydrophobicContact CD1-CG1 4Å; I57-V71 HydrophobicContact CD1-CG1 4.38Å; I57-L72 HydrophobicContact CD1-CD2 3.66Å; I57-L72 HydrophobicContact CD1-CG 3.89Å; I57-L72 HydrophobicContact CG1-CD2 4.18Å; I57-L72 HydrophobicContact CG2-CD2 4.49Å; I57-K75 HydrophobicContact CG2-CG 4.43Å |
| 58 | R | 93.2 | Very high | 88.7 | Confident | 194 Ų | 194 | 71.2 Ų | 71.2 | 73% | 0.732 | 34% | 0.335 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.8 | 136.7 | 166.2 | -93.8 | 179.6 | 178 | 176.4 | 2 | 109.2 | G39 V40 Y1269 | G39-R58 WeakPolarHBondContact O-CA 3.46Å; V40-R58 HydrophobicContact CG2-CG 4.11Å; R58-Y1269 WeakPolarHBondContact CB-OH 3.48Å; R58-Y1269 WeakPolarHBondContact CD-OH 3.34Å |
| 59 | V | 95.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.018 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.2 | -177.3 | -174.8 | 0 | 0 | 0 | 0 | 108.7 | N38 G39 M41 F43 I57 V68 L108 | N38-V59 WeakPolarHBondContact CA-O 3.25Å; G39-V59 PolarHBondContact N-O 2.74Å; G39-V59 VanDerWaalsContact N-O 3.08Å; G39-V59 PolarHBondContact O-N 3.02Å; M41-V59 HydrophobicContact CB-CG2 3.94Å; M41-V59 HydrophobicContact CG-CB 4.04Å; M41-V59 HydrophobicContact CG-CG2 3.92Å; M41-V59 HydrophobicContact SD-CB 3.74Å; M41-V59 HydrophobicContact SD-CG1 3.83Å; M41-V59 HydrophobicContact SD-CG2 3.77Å; F43-V59 HydrophobicContact CE2-CG2 4.14Å; I57-V59 HydrophobicContact CD1-CG2 3.87Å; I57-V59 HydrophobicContact CG1-CG2 3.86Å; V59-V68 HydrophobicContact CG1-CG2 3.86Å; V59-L108 HydrophobicContact CG1-CB 4.37Å |
| 60 | S | 95 | Very high | 90.3 | Very high | 14 Ų | 14 | 63 Ų | 63 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 150.3 | 170.2 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | N38 S62 S63 | N38-S60 WeakPolarHBondContact OD1-CA 3.33Å; N38-S60 WeakPolarHBondContact OD1-CB 3.24Å; S60-S62 PolarHBondContact O-N 2.66Å; S60-S62 VanDerWaalsContact O-N 3.1Å; S60-S62 PolarHBondContact OG-N 2.77Å; S60-S62 PolarHBondContact OG-OG 2.92Å; S60-S63 WeakPolarHBondContact CB-OG 3.3Å; S60-S63 PolarHBondContact N-OG 3.44Å; S60-S63 VanDerWaalsContact N-OG 3.14Å; S60-S63 WeakPolarHBondContact O-CB 3.45Å; S60-S63 PolarHBondContact O-N 3.28Å |
| 61 | S | 94.6 | Very high | 91.2 | Very high | 9 Ų | 9 | 60.1 Ų | 60.1 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -21.5 | 161.7 | 62.1 | 0 | 0 | 0 | 0 | 114.2 | E36 F37 Y106 L109 | E36-S61 WeakPolarHBondContact CA-OG 3.45Å; F37-S61 VanDerWaalsContact CE1-CB 3.41Å; F37-S61 PolarHBondContact N-OG 2.86Å; F37-S61 VanDerWaalsContact O-CB 3.27Å; F37-S61 WeakPolarHBondContact O-CB 3.24Å; F37-S61 PolarHBondContact O-N 3.46Å; F37-S61 PolarHBondContact O-OG 2.94Å; F37-S61 VanDerWaalsContact O-OG 3.08Å; S61-Y106 WeakPolarHBondContact O-CD1 3.32Å; S61-L109 VanDerWaalsContact O-CD1 3.3Å; S61-L109 WeakPolarHBondContact O-CD1 3.26Å |
| 62 | S | 93.1 | Very high | 92.3 | Very high | 49 Ų | 49 | 52.9 Ų | 52.9 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.3 | -1.1 | 175.7 | 51.9 | 0 | 0 | 0 | 0 | 115 | E36 S60 Y106 | E36-S62 WeakPolarHBondContact OE1-CB 3.46Å; E36-S62 PolarHBondContact OE1-OG 3.16Å; S60-S62 PolarHBondContact O-N 2.66Å; S60-S62 VanDerWaalsContact O-N 3.1Å; S60-S62 PolarHBondContact OG-N 2.77Å; S60-S62 PolarHBondContact OG-OG 2.92Å; S62-Y106 VanDerWaalsContact O-CE1 3.26Å; S62-Y106 WeakPolarHBondContact O-CE1 3.45Å |
| 63 | S | 95.2 | Very high | 92.5 | Very high | 29 Ų | 29 | 51.6 Ų | 51.6 | 20% | 0.203 | 25% | 0.252 | C | S | . | . | trans | -76.5 | 127.7 | 173.3 | -56 | 0 | 0 | 0 | 0 | 111.2 | S60 Y106 P107 | S60-S63 WeakPolarHBondContact CB-OG 3.3Å; S60-S63 PolarHBondContact N-OG 3.44Å; S60-S63 VanDerWaalsContact N-OG 3.14Å; S60-S63 WeakPolarHBondContact O-CB 3.45Å; S60-S63 PolarHBondContact O-N 3.28Å; S63-Y106 WeakPolarHBondContact O-CD1 3.31Å; S63-P107 VanDerWaalsContact O-CD 3.32Å; S63-P107 WeakPolarHBondContact O-CD 3.2Å | ||
| 64 | R | 95.9 | Very high | 92.4 | Very high | 100 Ų | 100 | 50 Ų | 50 | 38% | 0.377 | 25% | 0.25 | S | S | . | . | trans | -81.4 | 159.7 | 177.9 | -66 | -173.5 | 175.2 | 116.7 | -9.7 | 113.1 | S66 E67 V68 E105 Y106 | R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 PolarHBondContact O-N 3.41Å; R64-E67 HydrophobicContact CB-CG 4.29Å; R64-E67 WeakPolarHBondContact CB-OE1 3.38Å; R64-E67 WeakPolarHBondContact CD-OE1 3.3Å; R64-E67 WeakPolarHBondContact CG-OE1 3.31Å; R64-E67 PolarHBondContact N-OE2 3.04Å; R64-E67 IonicContact NH1-OE1 3.14Å; R64-E67 PolarHBondContact NH1-OE1 3.35Å; R64-E67 PolarHBondContact O-N 3.16Å; R64-V68 WeakPolarHBondContact O-CB 3.34Å; R64-V68 VanDerWaalsContact O-CG2 3.3Å; R64-V68 WeakPolarHBondContact O-CG2 3.43Å; R64-V68 PolarHBondContact O-N 2.89Å; R64-E105 CarbonylContact C-O 3.5Å; R64-E105 WeakPolarHBondContact CA-O 3.24Å; R64-Y106 HydrophobicContact CG-CD1 4.31Å; R64-Y106 HydrophobicContact CG-CE1 3.67Å | ||
| 65 | T | 95.1 | Very high | 92 | Very high | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.025 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -35 | 177.6 | -64.5 | 0 | 0 | 0 | 0 | 112 | A69 I90 L101 T102 N103 E105 | T65-A69 WeakPolarHBondContact O-CB 3.41Å; T65-A69 PolarHBondContact O-N 3.43Å; T65-I90 HydrophobicContact CG2-CB 4.03Å; T65-I90 HydrophobicContact CG2-CD1 4.1Å; T65-I90 HydrophobicContact CG2-CG1 4.19Å; T65-L101 HydrophobicContact CG2-CB 3.75Å; T65-L101 HydrophobicContact CG2-CD2 4.4Å; T65-T102 WeakPolarHBondContact CB-O 3.49Å; T65-N103 WeakPolarHBondContact CB-O 3.46Å; T65-N103 PolarHBondContact N-O 2.79Å; T65-E105 WeakPolarHBondContact CB-O 3.39Å; T65-E105 PolarHBondContact N-O 2.7Å; T65-E105 PolarHBondContact OG1-O 2.75Å |
| 66 | S | 92.5 | Very high | 91.9 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 28% | 0.28 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.2 | -48.9 | 172.7 | 47.9 | 0 | 0 | 0 | 0 | 112.9 | R64 V68 A69 E70 N103 | R64-S66 VanDerWaalsContact C-N 3.27Å; R64-S66 PolarHBondContact O-N 3.41Å; S66-V68 VanDerWaalsContact C-N 3.35Å; S66-V68 PolarHBondContact O-N 3.46Å; S66-A69 PolarHBondContact O-N 2.94Å; S66-A69 VanDerWaalsContact O-N 3.17Å; S66-E70 PolarHBondContact O-N 2.99Å; S66-E70 VanDerWaalsContact O-N 3.13Å; S66-N103 PolarHBondContact N-O 2.94Å; S66-N103 VanDerWaalsContact N-O 3.14Å |
| 67 | E | 93.3 | Very high | 91.2 | Very high | 83 Ų | 83 | 50.2 Ų | 50.2 | 39% | 0.388 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 179.7 | -64.4 | 147.4 | -154.4 | 0 | 0 | 110.3 | R64 A69 E70 V71 | R64-E67 HydrophobicContact CB-CG 4.29Å; R64-E67 WeakPolarHBondContact CB-OE1 3.38Å; R64-E67 WeakPolarHBondContact CD-OE1 3.3Å; R64-E67 WeakPolarHBondContact CG-OE1 3.31Å; R64-E67 PolarHBondContact N-OE2 3.04Å; R64-E67 IonicContact NH1-OE1 3.14Å; R64-E67 PolarHBondContact NH1-OE1 3.35Å; R64-E67 PolarHBondContact O-N 3.16Å; E67-A69 VanDerWaalsContact C-N 3.34Å; E67-A69 PolarHBondContact O-N 3.31Å; E67-E70 PolarHBondContact O-N 3.17Å; E67-V71 WeakPolarHBondContact O-CG2 3.44Å; E67-V71 PolarHBondContact O-N 2.92Å; E67-V71 VanDerWaalsContact O-N 3.14Å |
| 68 | V | 95.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 51.4 Ų | 51.4 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.5 | -34.1 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 112 | F43 I57 V59 R64 S66 L72 I90 P107 | F43-V68 HydrophobicContact CE1-CG1 4.09Å; F43-V68 HydrophobicContact CE2-CG1 4.11Å; F43-V68 HydrophobicContact CZ-CG1 3.61Å; I57-V68 HydrophobicContact CD1-CG1 4Å; V59-V68 HydrophobicContact CG1-CG2 3.86Å; R64-V68 WeakPolarHBondContact O-CB 3.34Å; R64-V68 VanDerWaalsContact O-CG2 3.3Å; R64-V68 WeakPolarHBondContact O-CG2 3.43Å; R64-V68 PolarHBondContact O-N 2.89Å; S66-V68 VanDerWaalsContact C-N 3.35Å; S66-V68 PolarHBondContact O-N 3.46Å; V68-L72 HydrophobicContact CG1-CD1 3.86Å; V68-L72 HydrophobicContact CG1-CG 4.34Å; V68-L72 WeakPolarHBondContact O-CB 3.3Å; V68-L72 WeakPolarHBondContact O-CD1 3.45Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.27Å; V68-I90 HydrophobicContact CB-CD1 4.24Å; V68-I90 HydrophobicContact CG1-CD1 3.81Å; V68-P107 HydrophobicContact CB-CG 4.36Å; V68-P107 HydrophobicContact CG1-CG 4.4Å; V68-P107 HydrophobicContact CG2-CG 4.27Å |
| 69 | A | 92.4 | Very high | 88.5 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | T65 S66 E67 L72 K73 I90 L125 | T65-A69 WeakPolarHBondContact O-CB 3.41Å; T65-A69 PolarHBondContact O-N 3.43Å; S66-A69 PolarHBondContact O-N 2.94Å; S66-A69 VanDerWaalsContact O-N 3.17Å; E67-A69 VanDerWaalsContact C-N 3.34Å; E67-A69 PolarHBondContact O-N 3.31Å; A69-L72 PolarHBondContact O-N 2.91Å; A69-K73 PolarHBondContact O-N 3.03Å; A69-I90 HydrophobicContact CB-CD1 4.17Å; A69-I90 HydrophobicContact CB-CG1 4.2Å; A69-L125 HydrophobicContact CB-CD1 4.25Å |
| 70 | E | 89.4 | Confident | 86.6 | Confident | 106 Ų | 106 | 54 Ų | 54 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 176.8 | -62.2 | -54.3 | 144.8 | 0 | 0 | 111.6 | S66 E67 L72 K73 E74 | S66-E70 PolarHBondContact O-N 2.99Å; S66-E70 VanDerWaalsContact O-N 3.13Å; E67-E70 PolarHBondContact O-N 3.17Å; E70-L72 PolarHBondContact O-N 3.49Å; E70-K73 PolarHBondContact O-N 3.37Å; E70-K73 VanDerWaalsContact O-N 3.09Å; E70-K73 VanDerWaalsContact OE1-CE 3.28Å; E70-K73 WeakPolarHBondContact OE1-CE 3.47Å; E70-K73 IonicContact OE1-NZ 2.85Å; E70-K73 PolarHBondContact OE1-NZ 3.46Å; E70-K73 WeakPolarHBondContact OE2-CD 3.4Å; E70-K73 WeakPolarHBondContact OE2-CE 3.42Å; E70-K73 IonicContact OE2-NZ 3.15Å; E70-K73 PolarHBondContact OE2-NZ 2.99Å; E70-E74 PolarHBondContact O-N 2.99Å; E70-E74 VanDerWaalsContact O-N 3.1Å |
| 71 | V | 91.8 | Very high | 84.3 | Confident | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.376 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57.3 | -36.1 | 172 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | I57 E67 K75 | I57-V71 HydrophobicContact CD1-CG1 4.38Å; E67-V71 WeakPolarHBondContact O-CG2 3.44Å; E67-V71 PolarHBondContact O-N 2.92Å; E67-V71 VanDerWaalsContact O-N 3.14Å; V71-K75 HydrophobicContact CG1-CG 4.1Å; V71-K75 VanDerWaalsContact O-CB 3.22Å; V71-K75 WeakPolarHBondContact O-CB 3.48Å; V71-K75 WeakPolarHBondContact O-CG 3.43Å; V71-K75 PolarHBondContact O-N 2.98Å |
| 72 | L | 92.5 | Very high | 81.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.9 | -34.5 | 175.9 | -72.5 | 168.2 | 0 | 0 | 0 | 113.4 | F43 I57 V68 A69 E70 F76 I90 L125 | F43-L72 HydrophobicContact CB-CD1 4Å; F43-L72 HydrophobicContact CB-CD2 3.8Å; F43-L72 HydrophobicContact CD1-CD1 3.46Å; F43-L72 VanDerWaalsContact CD1-CD1 3.46Å; F43-L72 HydrophobicContact CD2-CD1 4Å; F43-L72 HydrophobicContact CD2-CD2 3.88Å; F43-L72 HydrophobicContact CD2-CG 4.49Å; F43-L72 HydrophobicContact CE1-CD1 3.88Å; F43-L72 HydrophobicContact CE2-CD1 4.33Å; F43-L72 HydrophobicContact CG-CD1 3.55Å; F43-L72 HydrophobicContact CG-CD2 3.87Å; F43-L72 HydrophobicContact CG-CG 4.35Å; F43-L72 HydrophobicContact CZ-CD1 4.3Å; I57-L72 HydrophobicContact CD1-CD2 3.66Å; I57-L72 HydrophobicContact CD1-CG 3.89Å; I57-L72 HydrophobicContact CG1-CD2 4.18Å; I57-L72 HydrophobicContact CG2-CD2 4.49Å; V68-L72 HydrophobicContact CG1-CD1 3.86Å; V68-L72 HydrophobicContact CG1-CG 4.34Å; V68-L72 WeakPolarHBondContact O-CB 3.3Å; V68-L72 WeakPolarHBondContact O-CD1 3.45Å; V68-L72 WeakPolarHBondContact O-CG 3.44Å; V68-L72 PolarHBondContact O-N 3.27Å; A69-L72 PolarHBondContact O-N 2.91Å; E70-L72 PolarHBondContact O-N 3.49Å; L72-F76 HydrophobicContact CB-CD2 4.28Å; L72-F76 HydrophobicContact CD2-CD2 4.39Å; L72-F76 HydrophobicContact CD2-CE2 3.99Å; L72-F76 VanDerWaalsContact O-CB 3.25Å; L72-F76 WeakPolarHBondContact O-CB 3.2Å; L72-F76 WeakPolarHBondContact O-CD2 3.4Å; L72-F76 PolarHBondContact O-N 3.17Å; L72-I90 HydrophobicContact CD1-CD1 3.9Å; L72-L125 HydrophobicContact CB-CD2 3.98Å |
| 73 | K | 87.4 | Confident | 79.3 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 172.5 | -65.1 | -175.1 | -155.8 | 160.6 | 0 | 110.7 | A69 E70 F76 C77 I78 F88 | A69-K73 PolarHBondContact O-N 3.03Å; E70-K73 PolarHBondContact O-N 3.37Å; E70-K73 VanDerWaalsContact O-N 3.09Å; E70-K73 VanDerWaalsContact OE1-CE 3.28Å; E70-K73 WeakPolarHBondContact OE1-CE 3.47Å; E70-K73 IonicContact OE1-NZ 2.85Å; E70-K73 PolarHBondContact OE1-NZ 3.46Å; E70-K73 WeakPolarHBondContact OE2-CD 3.4Å; E70-K73 WeakPolarHBondContact OE2-CE 3.42Å; E70-K73 IonicContact OE2-NZ 3.15Å; E70-K73 PolarHBondContact OE2-NZ 2.99Å; K73-F76 PolarHBondContact O-N 3.27Å; K73-C77 PolarHBondContact O-N 3.29Å; K73-C77 VanDerWaalsContact O-N 3.1Å; K73-I78 PolarHBondContact O-N 2.91Å; K73-F88 HydrophobicContact CD-CD2 4Å; K73-F88 HydrophobicContact CG-CD2 4.04Å; K73-F88 HydrophobicContact CG-CG 4.39Å |
| 74 | E | 82.6 | Confident | 77 | Confident | 109 Ų | 109 | 68.4 Ų | 68.4 | 51% | 0.509 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58.4 | -53.6 | 178.8 | -179.3 | -102.7 | 109.1 | 0 | 0 | 110.3 | E70 F76 C77 | E70-E74 PolarHBondContact O-N 2.99Å; E70-E74 VanDerWaalsContact O-N 3.1Å; E74-F76 VanDerWaalsContact C-N 3.35Å; E74-F76 PolarHBondContact O-N 3.39Å; E74-C77 PolarHBondContact O-N 3.44Å |
| 75 | K | 84.7 | Confident | 75.2 | Confident | 80 Ų | 80 | 69.8 Ų | 69.8 | 35% | 0.348 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -68.7 | -26 | 179.8 | -64.9 | -71.6 | -177.5 | -80.4 | 0 | 113.7 | K55 I57 V71 C77 | K55-K75 HydrophobicContact CD-CB 4.24Å; K55-K75 VanDerWaalsContact CD-O 3.22Å; K55-K75 WeakPolarHBondContact CD-O 3.29Å; K55-K75 WeakPolarHBondContact CE-O 3.24Å; K55-K75 PolarHBondContact NZ-O 3.02Å; I57-K75 HydrophobicContact CG2-CG 4.43Å; V71-K75 HydrophobicContact CG1-CG 4.1Å; V71-K75 VanDerWaalsContact O-CB 3.22Å; V71-K75 WeakPolarHBondContact O-CB 3.48Å; V71-K75 WeakPolarHBondContact O-CG 3.43Å; V71-K75 PolarHBondContact O-N 2.98Å; K75-C77 VanDerWaalsContact C-N 3.29Å |
| 76 | F | 85.8 | Confident | 73.8 | Confident | 19 Ų | 19 | 71.9 Ų | 71.9 | 8% | 0.083 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -2.3 | 170.8 | -81.3 | -62.3 | 0 | 0 | 0 | 113.7 | L45 R53 K55 L72 K73 E74 I78 L125 | L45-F76 HydrophobicContact CB-CD1 3.94Å; L45-F76 HydrophobicContact CB-CD2 3.86Å; L45-F76 HydrophobicContact CB-CE1 3.87Å; L45-F76 HydrophobicContact CB-CE2 3.78Å; L45-F76 HydrophobicContact CB-CG 3.96Å; L45-F76 HydrophobicContact CB-CZ 3.79Å; L45-F76 HydrophobicContact CD2-CB 4.02Å; L45-F76 HydrophobicContact CD2-CD1 4.25Å; L45-F76 HydrophobicContact CD2-CG 4.06Å; R53-F76 HydrophobicContact CB-CD1 4.44Å; R53-F76 HydrophobicContact CB-CE1 4.1Å; K55-F76 HydrophobicContact CB-CE1 4.01Å; K55-F76 HydrophobicContact CB-CZ 4.05Å; K55-F76 HydrophobicContact CG-CD1 4.31Å; K55-F76 HydrophobicContact CG-CE1 3.97Å; L72-F76 HydrophobicContact CB-CD2 4.28Å; L72-F76 HydrophobicContact CD2-CD2 4.39Å; L72-F76 HydrophobicContact CD2-CE2 3.99Å; L72-F76 VanDerWaalsContact O-CB 3.25Å; L72-F76 WeakPolarHBondContact O-CB 3.2Å; L72-F76 WeakPolarHBondContact O-CD2 3.4Å; L72-F76 PolarHBondContact O-N 3.17Å; K73-F76 PolarHBondContact O-N 3.27Å; E74-F76 VanDerWaalsContact C-N 3.35Å; E74-F76 PolarHBondContact O-N 3.39Å; F76-I78 VanDerWaalsContact C-N 3.28Å; F76-I78 HydrophobicContact CB-CD1 4.11Å; F76-I78 HydrophobicContact CB-CG1 3.77Å; F76-I78 PolarHBondContact O-N 3.17Å; F76-L125 HydrophobicContact CD2-CD2 4.27Å |
| 77 | C | 77 | Confident | 73.1 | Confident | 94 Ų | 94 | 78.4 Ų | 78.4 | 64% | 0.635 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 41.7 | 179.7 | -50.9 | 0 | 0 | 0 | 0 | 112.4 | K73 E74 K75 Q79 | K73-C77 PolarHBondContact O-N 3.29Å; K73-C77 VanDerWaalsContact O-N 3.1Å; E74-C77 PolarHBondContact O-N 3.44Å; K75-C77 VanDerWaalsContact C-N 3.29Å; C77-Q79 PolarHBondContact O-N 2.86Å; C77-Q79 VanDerWaalsContact O-N 3.09Å |
| 78 | I | 74.6 | Confident | 72.8 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.236 | 40% | 0.397 | C | S | . | . | trans | -75.1 | 98.9 | -179.3 | -52.2 | -177.8 | 0 | 0 | 0 | 108.7 | L45 K73 F76 E80 F88 L125 | L45-I78 HydrophobicContact CD1-CD1 3.92Å; L45-I78 HydrophobicContact CD2-CD1 3.96Å; L45-I78 HydrophobicContact CD2-CG1 4.14Å; K73-I78 PolarHBondContact O-N 2.91Å; F76-I78 VanDerWaalsContact C-N 3.28Å; F76-I78 HydrophobicContact CB-CD1 4.11Å; F76-I78 HydrophobicContact CB-CG1 3.77Å; F76-I78 PolarHBondContact O-N 3.17Å; I78-E80 PolarHBondContact O-N 2.96Å; I78-F88 HydrophobicContact CD1-CD1 4.37Å; I78-F88 HydrophobicContact CD1-CE1 3.75Å; I78-F88 HydrophobicContact CD1-CE2 4.32Å; I78-F88 HydrophobicContact CD1-CZ 3.72Å; I78-F88 HydrophobicContact CG2-CE2 4.08Å; I78-F88 HydrophobicContact CG2-CZ 3.7Å; I78-L125 HydrophobicContact CD1-CD2 4.12Å | ||
| 79 | Q | 56 | Low | 72.6 | Confident | 158 Ų | 158 | 75.6 Ų | 75.6 | 74% | 0.738 | 40% | 0.398 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 123 | 171.8 | -68.6 | 179.7 | -15 | 0 | 0 | 109.9 | C77 P81 | C77-Q79 PolarHBondContact O-N 2.86Å; C77-Q79 VanDerWaalsContact O-N 3.09Å; Q79-P81 WeakPolarHBondContact O-CD 3.25Å |
| 80 | E | 54.8 | Low | 72.7 | Confident | 94 Ų | 94 | 75.4 Ų | 75.4 | 44% | 0.439 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -80.8 | 119.2 | 171.1 | -67.9 | -162.9 | 139.9 | 0 | 0 | 110.1 | I78 S82 | I78-E80 PolarHBondContact O-N 2.96Å; E80-S82 PolarHBondContact O-N 3.49Å |
| 81 | P | 46.4 | Very low | 72.9 | Confident | 78 Ų | 78 | 72 Ų | 72 | 51% | 0.506 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 133.5 | 167.7 | 28.5 | -32.9 | 0 | 0 | 0 | 109.2 | Q79 V83 | Q79-P81 WeakPolarHBondContact O-CD 3.25Å; P81-V83 PolarHBondContact O-N 2.96Å |
| 82 | S | 43.5 | Very low | 73 | Confident | 126 Ų | 126 | 69.6 Ų | 69.6 | 88% | 0.881 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 26.2 | -154.1 | 48.8 | 0 | 0 | 0 | 0 | 117.8 | E80 | E80-S82 PolarHBondContact O-N 3.49Š|
| 83 | V | 40.1 | Very low | 72.8 | Confident | 135 Ų | 135 | 70.8 Ų | 70.8 | 82% | 0.818 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130 | -17.7 | -175 | -172.6 | 0 | 0 | 0 | 0 | 113.8 | P81 | P81-V83 PolarHBondContact O-N 2.96Š|
| 84 | T | 46.6 | Very low | 72.6 | Confident | 64 Ų | 64 | 71 Ų | 71 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | trans | -141.9 | 121.9 | 178.4 | 58.8 | 0 | 0 | 0 | 0 | 113.6 | K86 | T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.07Å | ||
| 85 | N | 57.7 | Low | 72 | Confident | 129 Ų | 129 | 71.5 Ų | 71.5 | 69% | 0.69 | 38% | 0.383 | S | S | * | . | trans | -70.9 | 80.3 | 173.7 | -164 | -41.1 | 0 | 0 | 0 | 110.1 | R87 | N85-R87 PolarHBondContact O-N 3.45Š| ||
| 86 | K | 66.3 | Low | 71.4 | Confident | 48 Ų | 48 | 74.6 Ų | 74.6 | 21% | 0.209 | 40% | 0.403 | C | S | . | . | trans | -74.3 | 105.1 | -171 | -84.5 | 173.3 | 164.7 | -169.1 | 0 | 110 | E48 T84 F88 L127 | E48-K86 IonicContact OE1-NZ 2.7Å; E48-K86 PolarHBondContact OE1-NZ 3.21Å; T84-K86 VanDerWaalsContact C-N 3.3Å; T84-K86 PolarHBondContact O-N 3.07Å; K86-F88 VanDerWaalsContact O-CD2 3.23Å; K86-F88 WeakPolarHBondContact O-CD2 3.4Å; K86-L127 HydrophobicContact CB-CD1 3.9Å; K86-L127 HydrophobicContact CD-CD1 4.1Å; K86-L127 HydrophobicContact CD-CD2 4.03Å; K86-L127 HydrophobicContact CG-CD1 4.33Å; K86-L127 HydrophobicContact CG-CD2 4.4Å | ||
| 87 | R | 76.8 | Confident | 70.9 | Confident | 176 Ų | 176 | 75.5 Ų | 75.5 | 66% | 0.664 | 42% | 0.419 | S | S | * | . | trans | -64.8 | 140.5 | 176.9 | -73.1 | -173.1 | 176.3 | 180 | -0.4 | 111.9 | N85 E128 | N85-R87 PolarHBondContact O-N 3.45Å; R87-E128 HydrophobicContact CB-CB 4.34Å; R87-E128 HydrophobicContact CB-CG 4.45Å; R87-E128 WeakPolarHBondContact O-CB 3.41Å; R87-E128 PolarHBondContact O-N 3.34Å | ||
| 88 | F | 87.2 | Confident | 71.3 | Confident | 25 Ų | 25 | 75.2 Ų | 75.2 | 11% | 0.11 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 139.6 | 173.8 | -76.6 | -95 | 0 | 0 | 0 | 110.5 | L45 K73 I78 K86 L125 K126 L127 | L45-F88 HydrophobicContact CD1-CE1 4.19Å; K73-F88 HydrophobicContact CD-CD2 4Å; K73-F88 HydrophobicContact CG-CD2 4.04Å; K73-F88 HydrophobicContact CG-CG 4.39Å; I78-F88 HydrophobicContact CD1-CD1 4.37Å; I78-F88 HydrophobicContact CD1-CE1 3.75Å; I78-F88 HydrophobicContact CD1-CE2 4.32Å; I78-F88 HydrophobicContact CD1-CZ 3.72Å; I78-F88 HydrophobicContact CG2-CE2 4.08Å; I78-F88 HydrophobicContact CG2-CZ 3.7Å; K86-F88 VanDerWaalsContact O-CD2 3.23Å; K86-F88 WeakPolarHBondContact O-CD2 3.4Å; F88-L125 HydrophobicContact CB-CD1 3.96Å; F88-L125 HydrophobicContact CB-CD2 4.47Å; F88-L125 HydrophobicContact CB-CG 4.18Å; F88-L125 HydrophobicContact CD1-CD2 4.02Å; F88-L125 HydrophobicContact CD1-CG 3.95Å; F88-L125 HydrophobicContact CG-CD2 4.43Å; F88-L125 HydrophobicContact CG-CG 4.44Å; F88-K126 WeakPolarHBondContact CA-O 3.42Å; F88-L127 HydrophobicContact CD1-CD1 4.09Å; F88-L127 HydrophobicContact CD2-CD1 4.17Å; F88-L127 HydrophobicContact CE1-CD1 3.49Å; F88-L127 VanDerWaalsContact CE1-CD1 3.49Å; F88-L127 HydrophobicContact CE2-CD1 3.59Å; F88-L127 HydrophobicContact CG-CD1 4.41Å; F88-L127 HydrophobicContact CZ-CD1 3.2Å |
| 89 | G | 90.3 | Very high | 72 | Confident | 6 Ų | 6 | 77.9 Ų | 77.9 | 6% | 0.062 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 148.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y91 L125 K126 E128 | G89-Y91 VanDerWaalsContact O-CD2 3.25Å; G89-Y91 WeakPolarHBondContact O-CD2 3.25Å; G89-Y91 WeakPolarHBondContact O-CE2 3.26Å; G89-L125 WeakPolarHBondContact O-CA 3.31Å; G89-K126 PolarHBondContact N-O 2.77Å; G89-K126 PolarHBondContact O-N 2.82Å; G89-E128 WeakPolarHBondContact CA-OE1 3.34Å; G89-E128 PolarHBondContact N-OE1 3.1Å |
| 90 | I | 95.1 | Very high | 73.7 | Confident | 1 Ų | 1 | 75.4 Ų | 75.4 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 131.6 | 173.5 | -55.4 | -177.7 | 0 | 0 | 0 | 109.4 | F43 T65 V68 A69 L72 L101 F123 L125 | F43-I90 HydrophobicContact CD1-CG2 4.37Å; F43-I90 HydrophobicContact CE1-CD1 4.12Å; F43-I90 HydrophobicContact CE1-CG2 4.11Å; T65-I90 HydrophobicContact CG2-CB 4.03Å; T65-I90 HydrophobicContact CG2-CD1 4.1Å; T65-I90 HydrophobicContact CG2-CG1 4.19Å; V68-I90 HydrophobicContact CB-CD1 4.24Å; V68-I90 HydrophobicContact CG1-CD1 3.81Å; A69-I90 HydrophobicContact CB-CD1 4.17Å; A69-I90 HydrophobicContact CB-CG1 4.2Å; L72-I90 HydrophobicContact CD1-CD1 3.9Å; I90-L101 HydrophobicContact CG2-CD1 4.31Å; I90-L101 PolarHBondContact O-N 2.91Å; I90-F123 HydrophobicContact CG2-CB 4Å; I90-F123 HydrophobicContact CG2-CD1 4.04Å; I90-F123 HydrophobicContact CG2-CG 4.45Å; I90-L125 HydrophobicContact CG1-CD1 3.78Å |
| 91 | Y | 94.1 | Very high | 75.6 | Confident | 35 Ų | 35 | 71 Ų | 71 | 14% | 0.137 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 123.6 | -177.8 | -64.3 | -103.1 | 0 | 0 | 0 | 111.4 | G89 H93 V98 R99 R100 F123 V124 K126 | G89-Y91 VanDerWaalsContact O-CD2 3.25Å; G89-Y91 WeakPolarHBondContact O-CD2 3.25Å; G89-Y91 WeakPolarHBondContact O-CE2 3.26Å; Y91-H93 PolarHBondContact O-N 3.39Å; Y91-V98 HydrophobicContact CD1-CG1 4.07Å; Y91-R99 CarbonylContact C-O 3.46Å; Y91-R99 VanDerWaalsContact CA-O 3.24Å; Y91-R99 WeakPolarHBondContact CA-O 3.41Å; Y91-R100 HydrophobicContact CD1-CB 3.79Å; Y91-R100 HydrophobicContact CD1-CG 4.45Å; Y91-R100 HydrophobicContact CE1-CB 3.63Å; Y91-R100 HydrophobicContact CE1-CG 4.09Å; Y91-F123 CarbonylContact O-C 3.4Å; Y91-F123 WeakPolarHBondContact O-CA 3.41Å; Y91-V124 PolarHBondContact N-O 3.21Å; Y91-V124 PolarHBondContact O-N 2.83Å; Y91-K126 HydrophobicContact CD2-CB 3.91Å; Y91-K126 HydrophobicContact CD2-CD 3.97Å; Y91-K126 HydrophobicContact CD2-CG 3.76Å; Y91-K126 HydrophobicContact CE2-CB 3.74Å; Y91-K126 HydrophobicContact CE2-CD 4.25Å; Y91-K126 HydrophobicContact CE2-CG 4.1Å; Y91-K126 HydrophobicContact CG-CD 4.32Å; Y91-K126 HydrophobicContact CG-CG 4.48Å |
| 92 | E | 93.1 | Very high | 77.7 | Confident | 12 Ų | 12 | 71 Ų | 71 | 6% | 0.056 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 110.6 | 166.4 | 171.9 | 171.2 | -127.7 | 0 | 0 | 109.4 | H94 R99 L101 V110 W114 | E92-H94 IonicContact OE1-NE2 2.71Å; E92-H94 PolarHBondContact OE1-NE2 3.4Å; E92-R99 HydrophobicContact CB-CB 4.3Å; E92-R99 PolarHBondContact N-O 2.72Å; E92-R99 PolarHBondContact O-N 2.88Å; E92-R99 WeakPolarHBondContact OE2-CD 3.35Å; E92-R99 IonicContact OE2-CZ 3.9Å; E92-R99 IonicContact OE2-NE 2.88Å; E92-R99 IonicContact OE2-NH1 2.77Å; E92-R99 PolarHBondContact OE2-NH1 3.19Å; E92-L101 HydrophobicContact CB-CD1 3.7Å; E92-V110 VanDerWaalsContact OE1-CG1 3.23Å; E92-V110 WeakPolarHBondContact OE1-CG1 3.42Å; E92-W114 PolarHBondContact OE1-NE1 3.28Å |
| 93 | H | 88.7 | Confident | 80 | Confident | 24 Ų | 24 | 69 Ų | 69 | 11% | 0.111 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 121.3 | 174 | -90.8 | -108.8 | 0 | 0 | 0 | 110.3 | Y91 V98 G121 K122 V124 K126 L252 | Y91-H93 PolarHBondContact O-N 3.39Å; H93-V98 WeakPolarHBondContact CE1-CG2 3.27Å; H93-V98 VanDerWaalsContact NE2-CG1 3.29Å; H93-V98 WeakPolarHBondContact NE2-CG1 3.47Å; H93-G121 CarbonylContact O-C 3.49Å; H93-G121 WeakPolarHBondContact O-CA 3.25Å; H93-K122 HydrophobicContact CB-CB 4.41Å; H93-K122 PolarHBondContact N-O 2.76Å; H93-K122 PolarHBondContact O-N 2.9Å; H93-V124 HydrophobicContact CB-CG2 4.33Å; H93-K126 PolarHBondContact NE2-NZ 3.08Å; H93-L252 VanDerWaalsContact ND1-CD1 3.25Å; H93-L252 WeakPolarHBondContact ND1-CD1 3.41Å |
| 94 | H | 83.6 | Confident | 82.4 | Confident | 31 Ų | 31 | 67.7 Ų | 67.7 | 14% | 0.144 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 162.4 | 170.5 | -73.4 | -50.8 | 0 | 0 | 0 | 110.4 | E92 N96 G97 W114 E120 | E92-H94 IonicContact OE1-NE2 2.71Å; E92-H94 PolarHBondContact OE1-NE2 3.4Å; H94-N96 PolarHBondContact O-N 3.12Å; H94-G97 PolarHBondContact N-O 2.94Å; H94-G97 PolarHBondContact O-N 3.49Å; H94-G97 VanDerWaalsContact O-N 3.14Å; H94-G97 VanDerWaalsContact O-O 3.08Å; H94-W114 AromaticContact CE1-CD1 3.77Å; H94-W114 AromaticContact CE1-CE2 3.86Å; H94-W114 AromaticContact CE1-NE1 3.51Å; H94-W114 AromaticContact NE2-NE1 3.87Å; H94-E120 PolarHBondContact ND1-O 2.92Å |
| 95 | P | 69.7 | Low | 84.8 | Confident | 120 Ų | 120 | 66.7 Ų | 66.7 | 78% | 0.779 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -22.7 | 167.7 | -23.4 | 33.9 | 0 | 0 | 0 | 113.5 | E120 | P95-E120 WeakPolarHBondContact CD-O 3.48Š|
| 96 | N | 71.1 | Confident | 86.6 | Confident | 145 Ų | 145 | 64.3 Ų | 64.3 | 78% | 0.775 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 1.7 | -175.5 | -55.9 | 32.6 | 0 | 0 | 0 | 113.3 | H94 | H94-N96 PolarHBondContact O-N 3.12Š|
| 97 | G | 75.6 | Confident | 88 | Confident | 39 Ų | 39 | 62 Ų | 62 | 40% | 0.402 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 139.8 | -179.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | H94 | H94-G97 PolarHBondContact N-O 2.94Å; H94-G97 PolarHBondContact O-N 3.49Å; H94-G97 VanDerWaalsContact O-N 3.14Å; H94-G97 VanDerWaalsContact O-O 3.08Å |
| 98 | V | 86.3 | Confident | 88.8 | Confident | 88 Ų | 88 | 53.7 Ų | 53.7 | 53% | 0.533 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 133.6 | -176.3 | -176.5 | 0 | 0 | 0 | 0 | 110 | Y91 H93 | Y91-V98 HydrophobicContact CD1-CG1 4.07Å; H93-V98 WeakPolarHBondContact CE1-CG2 3.27Å; H93-V98 VanDerWaalsContact NE2-CG1 3.29Å; H93-V98 WeakPolarHBondContact NE2-CG1 3.47Å |
| 99 | R | 89.7 | Confident | 89 | Confident | 102 Ų | 102 | 55.7 Ų | 55.7 | 39% | 0.385 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.8 | 177.6 | 172.9 | 170.4 | 175.9 | -93 | -12.6 | 110.3 | Y91 E92 E105 | Y91-R99 CarbonylContact C-O 3.46Å; Y91-R99 VanDerWaalsContact CA-O 3.24Å; Y91-R99 WeakPolarHBondContact CA-O 3.41Å; E92-R99 HydrophobicContact CB-CB 4.3Å; E92-R99 PolarHBondContact N-O 2.72Å; E92-R99 PolarHBondContact O-N 2.88Å; E92-R99 WeakPolarHBondContact OE2-CD 3.35Å; E92-R99 IonicContact OE2-CZ 3.9Å; E92-R99 IonicContact OE2-NE 2.88Å; E92-R99 IonicContact OE2-NH1 2.77Å; E92-R99 PolarHBondContact OE2-NH1 3.19Å; R99-E105 IonicContact CZ-OE1 3.53Å; R99-E105 IonicContact CZ-OE2 2.66Å; R99-E105 IonicContact NH1-OE1 3.66Å; R99-E105 PolarHBondContact NH1-OE1 3.14Å; R99-E105 IonicContact NH1-OE2 3.92Å; R99-E105 IonicContact NH2-OE1 3.66Å; R99-E105 PolarHBondContact NH2-OE1 2.88Å; R99-E105 IonicContact NH2-OE2 2.69Å; R99-E105 PolarHBondContact NH2-OE2 2.71Å |
| 100 | R | 91.6 | Very high | 89.1 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 40% | 0.396 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 134.5 | 167.1 | 177.3 | 171.3 | 164.7 | 167.3 | 1.7 | 109.3 | Y91 E128 | Y91-R100 HydrophobicContact CD1-CB 3.79Å; Y91-R100 HydrophobicContact CD1-CG 4.45Å; Y91-R100 HydrophobicContact CE1-CB 3.63Å; Y91-R100 HydrophobicContact CE1-CG 4.09Å; R100-E128 IonicContact CZ-OE1 3.35Å; R100-E128 IonicContact CZ-OE2 2.99Å; R100-E128 IonicContact NE-OE1 3.53Å; R100-E128 IonicContact NH1-OE1 2.91Å; R100-E128 PolarHBondContact NH1-OE1 3.32Å; R100-E128 IonicContact NH1-OE2 3.82Å; R100-E128 PolarHBondContact NH1-OE2 3.37Å; R100-E128 IonicContact NH2-OE1 3Å; R100-E128 PolarHBondContact NH2-OE1 3.2Å; R100-E128 IonicContact NH2-OE2 3.09Å; R100-E128 PolarHBondContact NH2-OE2 2.98Å |
| 101 | L | 93.5 | Very high | 89 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 142.7 | 167 | -76.9 | 75.8 | 0 | 0 | 0 | 109.3 | T65 I90 E92 E105 P107 V110 F123 | T65-L101 HydrophobicContact CG2-CB 3.75Å; T65-L101 HydrophobicContact CG2-CD2 4.4Å; I90-L101 HydrophobicContact CG2-CD1 4.31Å; I90-L101 PolarHBondContact O-N 2.91Å; E92-L101 HydrophobicContact CB-CD1 3.7Å; L101-E105 VanDerWaalsContact CA-OE2 3.31Å; L101-E105 WeakPolarHBondContact CA-OE2 3.35Å; L101-E105 HydrophobicContact CD2-CB 4.42Å; L101-P107 HydrophobicContact CD2-CB 4.46Å; L101-P107 HydrophobicContact CD2-CG 4.26Å; L101-V110 HydrophobicContact CD2-CG2 4.23Å; L101-F123 HydrophobicContact CD1-CD1 4.1Å; L101-F123 HydrophobicContact CD1-CE1 4.11Å; L101-F123 HydrophobicContact CD2-CD1 4.43Å; L101-F123 HydrophobicContact CD2-CE1 4.08Å |
| 102 | T | 91.7 | Very high | 88.8 | Confident | 79 Ų | 79 | 55.6 Ų | 55.6 | 49% | 0.485 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -77.3 | 149.3 | 167.5 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | T65 D104 E105 | T65-T102 WeakPolarHBondContact CB-O 3.49Å; T102-D104 PolarHBondContact O-N 2.84Å; T102-E105 PolarHBondContact N-OE2 3.18Å; T102-E105 WeakPolarHBondContact O-CB 3.29Å; T102-E105 PolarHBondContact O-N 2.9Å; T102-E105 WeakPolarHBondContact OG1-CG 3.28Å; T102-E105 PolarHBondContact OG1-OE2 3.5Å |
| 103 | N | 90.9 | Very high | 88.5 | Confident | 82 Ų | 82 | 57 Ų | 57 | 44% | 0.439 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.4 | -35.2 | -176.3 | -64.9 | 21.2 | 0 | 0 | 0 | 113.4 | T65 S66 | T65-N103 WeakPolarHBondContact CB-O 3.46Å; T65-N103 PolarHBondContact N-O 2.79Å; S66-N103 PolarHBondContact N-O 2.94Å; S66-N103 VanDerWaalsContact N-O 3.14Å |
| 104 | D | 91.7 | Very high | 88.3 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 58% | 0.583 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -2.4 | -178.2 | -42.9 | -76 | 0 | 0 | 0 | 114.9 | T102 Y106 | T102-D104 PolarHBondContact O-N 2.84Å; D104-Y106 VanDerWaalsContact O-CE2 3.3Å; D104-Y106 WeakPolarHBondContact O-CE2 3.42Å |
| 105 | E | 95.3 | Very high | 87.8 | Confident | 42 Ų | 42 | 56.5 Ų | 56.5 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -78.5 | 157 | 174.9 | -81.8 | -179.9 | 110.7 | 0 | 0 | 112.2 | R64 T65 R99 L101 T102 | R64-E105 CarbonylContact C-O 3.5Å; R64-E105 WeakPolarHBondContact CA-O 3.24Å; T65-E105 WeakPolarHBondContact CB-O 3.39Å; T65-E105 PolarHBondContact N-O 2.7Å; T65-E105 PolarHBondContact OG1-O 2.75Å; R99-E105 IonicContact CZ-OE1 3.53Å; R99-E105 IonicContact CZ-OE2 2.66Å; R99-E105 IonicContact NH1-OE1 3.66Å; R99-E105 PolarHBondContact NH1-OE1 3.14Å; R99-E105 IonicContact NH1-OE2 3.92Å; R99-E105 IonicContact NH2-OE1 3.66Å; R99-E105 PolarHBondContact NH2-OE1 2.88Å; R99-E105 IonicContact NH2-OE2 2.69Å; R99-E105 PolarHBondContact NH2-OE2 2.71Å; L101-E105 VanDerWaalsContact CA-OE2 3.31Å; L101-E105 WeakPolarHBondContact CA-OE2 3.35Å; L101-E105 HydrophobicContact CD2-CB 4.42Å; T102-E105 PolarHBondContact N-OE2 3.18Å; T102-E105 WeakPolarHBondContact O-CB 3.29Å; T102-E105 PolarHBondContact O-N 2.9Å; T102-E105 WeakPolarHBondContact OG1-CG 3.28Å; T102-E105 PolarHBondContact OG1-OE2 3.5Å |
| 106 | Y | 95.9 | Very high | 87.7 | Confident | 80 Ų | 80 | 57 Ų | 57 | 31% | 0.314 | 30% | 0.297 | S | S | . | . | trans | -110.4 | 102.7 | -174.6 | -62.5 | -86.8 | 0 | 0 | 0 | 109.7 | S61 S62 S63 R64 D104 L108 L109 V110 | S61-Y106 WeakPolarHBondContact O-CD1 3.32Å; S62-Y106 VanDerWaalsContact O-CE1 3.26Å; S62-Y106 WeakPolarHBondContact O-CE1 3.45Å; S63-Y106 WeakPolarHBondContact O-CD1 3.31Å; R64-Y106 HydrophobicContact CG-CD1 4.31Å; R64-Y106 HydrophobicContact CG-CE1 3.67Å; D104-Y106 VanDerWaalsContact O-CE2 3.3Å; D104-Y106 WeakPolarHBondContact O-CE2 3.42Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 3.32Å; Y106-L108 VanDerWaalsContact O-N 3.17Å; Y106-L109 HydrophobicContact CG-CD1 4.29Å; Y106-L109 PolarHBondContact O-N 2.91Å; Y106-V110 PolarHBondContact O-N 3.19Å | ||
| 107 | P | 95.4 | Very high | 87.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.7 | -36.3 | -167.5 | -28.9 | 37.4 | 0 | 0 | 0 | 114.5 | M41 F43 S63 V68 L101 V110 Q111 | M41-P107 HydrophobicContact CE-CB 3.66Å; M41-P107 WeakPolarHBondContact CE-O 3.44Å; M41-P107 HydrophobicContact SD-CB 3.91Å; F43-P107 HydrophobicContact CZ-CB 4.26Å; S63-P107 VanDerWaalsContact O-CD 3.32Å; S63-P107 WeakPolarHBondContact O-CD 3.2Å; V68-P107 HydrophobicContact CB-CG 4.36Å; V68-P107 HydrophobicContact CG1-CG 4.4Å; V68-P107 HydrophobicContact CG2-CG 4.27Å; L101-P107 HydrophobicContact CD2-CB 4.46Å; L101-P107 HydrophobicContact CD2-CG 4.26Å; P107-V110 PolarHBondContact O-N 2.8Å; P107-Q111 PolarHBondContact O-N 2.73Å |
| 108 | L | 94.7 | Very high | 87 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -37.7 | 178.8 | -163.5 | 75.6 | 0 | 0 | 0 | 112.2 | L28 F37 M41 V59 Y106 Q111 L112 | L28-L108 HydrophobicContact CD2-CD1 3.86Å; L28-L108 HydrophobicContact CD2-CG 4.47Å; F37-L108 HydrophobicContact CD2-CD2 3.64Å; F37-L108 HydrophobicContact CD2-CG 4.49Å; F37-L108 HydrophobicContact CE2-CD2 3.51Å; F37-L108 HydrophobicContact CE2-CG 3.93Å; F37-L108 HydrophobicContact CZ-CD2 4.44Å; M41-L108 HydrophobicContact CG-CD1 3.49Å; M41-L108 VanDerWaalsContact CG-CD1 3.49Å; M41-L108 HydrophobicContact SD-CB 3.91Å; M41-L108 HydrophobicContact SD-CD1 3.71Å; M41-L108 HydrophobicContact SD-CG 4.45Å; V59-L108 HydrophobicContact CG1-CB 4.37Å; Y106-L108 VanDerWaalsContact C-N 3.3Å; Y106-L108 PolarHBondContact O-N 3.32Å; Y106-L108 VanDerWaalsContact O-N 3.17Å; L108-Q111 PolarHBondContact O-N 2.82Å; L108-L112 WeakPolarHBondContact O-CB 3.21Å; L108-L112 PolarHBondContact O-N 2.91Å |
| 109 | L | 92.1 | Very high | 86.2 | Confident | 66 Ų | 66 | 57.1 Ų | 57.1 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -71.2 | -34.1 | 174.3 | -78.2 | 166.9 | 0 | 0 | 0 | 112.1 | F37 S61 Y106 S113 | F37-L109 HydrophobicContact CE1-CD2 3.94Å; F37-L109 HydrophobicContact CZ-CD2 3.74Å; F37-L109 HydrophobicContact CZ-CG 4.29Å; S61-L109 VanDerWaalsContact O-CD1 3.3Å; S61-L109 WeakPolarHBondContact O-CD1 3.26Å; Y106-L109 HydrophobicContact CG-CD1 4.29Å; Y106-L109 PolarHBondContact O-N 2.91Å; L109-S113 PolarHBondContact O-N 3.46Å |
| 110 | V | 92.3 | Very high | 85.4 | Confident | 15 Ų | 15 | 55 Ų | 55 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -47.8 | 170.5 | 175.2 | 0 | 0 | 0 | 0 | 109.7 | E92 L101 Y106 P107 L112 S113 F123 | E92-V110 VanDerWaalsContact OE1-CG1 3.23Å; E92-V110 WeakPolarHBondContact OE1-CG1 3.42Å; L101-V110 HydrophobicContact CD2-CG2 4.23Å; Y106-V110 PolarHBondContact O-N 3.19Å; P107-V110 PolarHBondContact O-N 2.8Å; V110-L112 PolarHBondContact O-N 2.85Å; V110-S113 WeakPolarHBondContact O-CB 3.34Å; V110-S113 PolarHBondContact O-N 3.17Å; V110-S113 VanDerWaalsContact O-N 3.09Å; V110-S113 PolarHBondContact O-OG 3.13Å; V110-F123 HydrophobicContact CB-CE1 4.42Å; V110-F123 HydrophobicContact CB-CZ 4.28Å; V110-F123 HydrophobicContact CG1-CE1 3.98Å; V110-F123 HydrophobicContact CG1-CZ 4.01Å |
| 111 | Q | 92.2 | Very high | 85.1 | Confident | 21 Ų | 21 | 50.4 Ų | 50.4 | 10% | 0.098 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61.4 | -45.2 | 178.2 | -164 | 178.5 | 2 | 0 | 0 | 112.7 | W18 M41 P107 L108 S113 W114 F123 | W18-Q111 HydrophobicContact CH2-CG 3.69Å; W18-Q111 HydrophobicContact CZ2-CG 3.96Å; W18-Q111 WeakPolarHBondContact CZ3-O 3.31Å; M41-Q111 HydrophobicContact CE-CB 4.15Å; P107-Q111 PolarHBondContact O-N 2.73Å; L108-Q111 PolarHBondContact O-N 2.82Å; Q111-S113 PolarHBondContact O-N 3.47Å; Q111-W114 HydrophobicContact CG-CD2 4.26Å; Q111-W114 HydrophobicContact CG-CE3 3.83Å; Q111-W114 HydrophobicContact CG-CH2 4.22Å; Q111-W114 HydrophobicContact CG-CZ3 3.82Å; Q111-W114 VanDerWaalsContact O-CB 3.29Å; Q111-W114 WeakPolarHBondContact O-CB 3.34Å; Q111-W114 PolarHBondContact O-N 2.96Å; Q111-F123 HydrophobicContact CB-CE2 3.83Å; Q111-F123 HydrophobicContact CB-CZ 4.03Å; Q111-F123 HydrophobicContact CG-CE2 4.05Å |
| 112 | L | 90.3 | Very high | 84.9 | Confident | 4 Ų | 4 | 51.5 Ų | 51.5 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.1 | -21.5 | 176.9 | -172.9 | 61.2 | 0 | 0 | 0 | 112.5 | L11 Q14 V15 W18 L28 F37 L108 V110 W114 S115 | L11-L112 HydrophobicContact CD2-CD2 4.21Å; Q14-L112 HydrophobicContact CB-CD1 4.34Å; Q14-L112 HydrophobicContact CB-CD2 4.38Å; V15-L112 HydrophobicContact CG2-CD2 4.38Å; W18-L112 HydrophobicContact CB-CD1 3.84Å; W18-L112 HydrophobicContact CD2-CD1 4.27Å; W18-L112 HydrophobicContact CE3-CD1 4.3Å; W18-L112 HydrophobicContact CG-CD1 4.09Å; L28-L112 HydrophobicContact CD1-CD1 3.93Å; F37-L112 HydrophobicContact CE1-CD2 4.33Å; F37-L112 HydrophobicContact CE2-CD2 3.88Å; F37-L112 HydrophobicContact CZ-CD2 3.52Å; L108-L112 WeakPolarHBondContact O-CB 3.21Å; L108-L112 PolarHBondContact O-N 2.91Å; V110-L112 PolarHBondContact O-N 2.85Å; L112-W114 VanDerWaalsContact C-N 3.33Å; L112-S115 PolarHBondContact O-OG 3.48Å; L112-S115 VanDerWaalsContact O-OG 3.13Å |
| 113 | S | 85.8 | Confident | 85.1 | Confident | 41 Ų | 41 | 47.9 Ų | 47.9 | 29% | 0.287 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -75.1 | -18 | 174.5 | 85.5 | 0 | 0 | 0 | 0 | 114.1 | L109 V110 Q111 S115 K116 L117 | L109-S113 PolarHBondContact O-N 3.46Å; V110-S113 WeakPolarHBondContact O-CB 3.34Å; V110-S113 PolarHBondContact O-N 3.17Å; V110-S113 VanDerWaalsContact O-N 3.09Å; V110-S113 PolarHBondContact O-OG 3.13Å; Q111-S113 PolarHBondContact O-N 3.47Å; S113-S115 PolarHBondContact O-N 3.14Å; S113-K116 PolarHBondContact O-N 3.46Å; S113-L117 WeakPolarHBondContact O-CG 3.2Å; S113-L117 PolarHBondContact O-N 3.45Å |
| 114 | W | 86.1 | Confident | 85.2 | Confident | 6 Ų | 6 | 44 Ų | 44 | 2% | 0.023 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.4 | -37.4 | -176.3 | -66.8 | -8.4 | 0 | 0 | 0 | 113 | E92 H94 Q111 L112 L117 G118 R119 G121 F123 | E92-W114 PolarHBondContact OE1-NE1 3.28Å; H94-W114 AromaticContact CE1-CD1 3.77Å; H94-W114 AromaticContact CE1-CE2 3.86Å; H94-W114 AromaticContact CE1-NE1 3.51Å; H94-W114 AromaticContact NE2-NE1 3.87Å; Q111-W114 HydrophobicContact CG-CD2 4.26Å; Q111-W114 HydrophobicContact CG-CE3 3.83Å; Q111-W114 HydrophobicContact CG-CH2 4.22Å; Q111-W114 HydrophobicContact CG-CZ3 3.82Å; Q111-W114 VanDerWaalsContact O-CB 3.29Å; Q111-W114 WeakPolarHBondContact O-CB 3.34Å; Q111-W114 PolarHBondContact O-N 2.96Å; L112-W114 VanDerWaalsContact C-N 3.33Å; W114-L117 CarbonylContact O-C 3.46Å; W114-L117 PolarHBondContact O-N 3.5Å; W114-L117 VanDerWaalsContact O-N 3.16Å; W114-G118 PolarHBondContact O-N 2.95Å; W114-G118 VanDerWaalsContact O-N 3.07Å; W114-R119 PolarHBondContact O-N 3.21Å; W114-G121 VanDerWaalsContact CH2-O 3.27Å; W114-G121 WeakPolarHBondContact CH2-O 3.22Å; W114-G121 VanDerWaalsContact CZ3-C 3.47Å; W114-G121 WeakPolarHBondContact CZ3-O 3.37Å; W114-F123 AromaticContact CH2-CD2 3.9Å; W114-F123 HydrophobicContact CH2-CD2 3.9Å; W114-F123 AromaticContact CH2-CE2 3.41Å; W114-F123 HydrophobicContact CH2-CE2 3.41Å; W114-F123 VanDerWaalsContact CH2-CE2 3.41Å; W114-F123 AromaticContact CH2-CZ 3.87Å; W114-F123 HydrophobicContact CH2-CZ 3.87Å; W114-F123 HydrophobicContact CZ2-CD2 4.2Å; W114-F123 HydrophobicContact CZ2-CE1 4.04Å; W114-F123 AromaticContact CZ2-CE2 3.48Å; W114-F123 HydrophobicContact CZ2-CE2 3.48Å; W114-F123 VanDerWaalsContact CZ2-CE2 3.48Å; W114-F123 AromaticContact CZ2-CZ 3.39Å; W114-F123 HydrophobicContact CZ2-CZ 3.39Å; W114-F123 HydrophobicContact CZ3-CE2 4.37Å |
| 115 | S | 72 | Confident | 85.3 | Confident | 39 Ų | 39 | 38.8 Ų | 38.8 | 27% | 0.273 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.1 | -49.8 | 177.6 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | L112 S113 L117 G118 | L112-S115 PolarHBondContact O-OG 3.48Å; L112-S115 VanDerWaalsContact O-OG 3.13Å; S113-S115 PolarHBondContact O-N 3.14Å; S115-L117 PolarHBondContact O-N 2.95Å; S115-L117 VanDerWaalsContact O-N 3.15Å; S115-G118 PolarHBondContact O-N 3.25Å |
| 116 | K | 68.2 | Low | 85.1 | Confident | 132 Ų | 132 | 38.8 Ų | 38.8 | 57% | 0.574 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -56.7 | -27.3 | 174.6 | -78.2 | 174.1 | 166.2 | 167.3 | 0 | 114.4 | S113 | S113-K116 PolarHBondContact O-N 3.46Å |
| 117 | L | 66.1 | Low | 84.6 | Confident | 90 Ų | 90 | 37.7 Ų | 37.7 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -4.7 | -178.8 | -66.5 | 171.3 | 0 | 0 | 0 | 113 | S113 W114 S115 R119 | S113-L117 WeakPolarHBondContact O-CG 3.2Å; S113-L117 PolarHBondContact O-N 3.45Å; W114-L117 CarbonylContact O-C 3.46Å; W114-L117 PolarHBondContact O-N 3.5Å; W114-L117 VanDerWaalsContact O-N 3.16Å; S115-L117 PolarHBondContact O-N 2.95Å; S115-L117 VanDerWaalsContact O-N 3.15Å; L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 HydrophobicContact CB-CB 4.45Å; L117-R119 HydrophobicContact CB-CG 3.88Å; L117-R119 PolarHBondContact O-N 3.21Å |
| 118 | G | 64.9 | Low | 83.9 | Confident | 67 Ų | 67 | 39 Ų | 39 | 69% | 0.691 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 26.8 | -174 | 0 | 0 | 0 | 0 | 0 | 113.6 | W114 S115 | W114-G118 PolarHBondContact O-N 2.95Å; W114-G118 VanDerWaalsContact O-N 3.07Å; S115-G118 PolarHBondContact O-N 3.25Å |
| 119 | R | 70 | Confident | 82.6 | Confident | 117 Ų | 117 | 44.3 Ų | 44.3 | 44% | 0.442 | 24% | 0.244 | S | C | . | . | trans | -106.5 | 155.6 | -174.3 | -62.6 | 176.5 | -167.6 | 175.3 | 4.2 | 111.4 | W114 L117 | W114-R119 PolarHBondContact O-N 3.21Å; L117-R119 VanDerWaalsContact C-N 3.26Å; L117-R119 HydrophobicContact CB-CB 4.45Å; L117-R119 HydrophobicContact CB-CG 3.88Å; L117-R119 PolarHBondContact O-N 3.21Å | ||
| 120 | E | 72 | Confident | 80.6 | Confident | 56 Ų | 56 | 46.6 Ų | 46.6 | 26% | 0.262 | 26% | 0.257 | S | S | . | . | trans | -121.1 | 150.3 | 159.6 | -80.5 | -170.6 | 75.8 | 0 | 0 | 108.7 | H94 P95 S256 T258 | H94-E120 PolarHBondContact ND1-O 2.92Å; P95-E120 WeakPolarHBondContact CD-O 3.48Å; E120-S256 PolarHBondContact OE1-OG 3.4Å; E120-T258 WeakPolarHBondContact OE1-CA 3.42Å; E120-T258 VanDerWaalsContact OE1-CB 3.31Å; E120-T258 WeakPolarHBondContact OE1-CB 3.45Å; E120-T258 PolarHBondContact OE1-N 3.1Å; E120-T258 PolarHBondContact OE1-OG1 3.09Å | ||
| 121 | G | 85.3 | Confident | 78.1 | Confident | 9 Ų | 9 | 52 Ų | 52 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | trans | -156.4 | -177.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | H93 W114 | H93-G121 CarbonylContact O-C 3.49Å; H93-G121 WeakPolarHBondContact O-CA 3.25Å; W114-G121 VanDerWaalsContact CH2-O 3.27Å; W114-G121 WeakPolarHBondContact CH2-O 3.22Å; W114-G121 VanDerWaalsContact CZ3-C 3.47Å; W114-G121 WeakPolarHBondContact CZ3-O 3.37Å | ||
| 122 | K | 90 | Very high | 75.2 | Confident | 26 Ų | 26 | 53.9 Ų | 53.9 | 11% | 0.113 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 142.5 | 177.7 | -58.5 | 174.7 | -164.1 | 166.7 | 0 | 109.3 | F44 H93 P253 S255 | F44-K122 HydrophobicContact CD2-CB 4.07Å; F44-K122 HydrophobicContact CD2-CD 4.5Å; F44-K122 HydrophobicContact CE2-CB 3.93Å; F44-K122 HydrophobicContact CE2-CD 3.96Å; F44-K122 HydrophobicContact CE2-CG 3.97Å; F44-K122 HydrophobicContact CZ-CD 4.28Å; H93-K122 HydrophobicContact CB-CB 4.41Å; H93-K122 PolarHBondContact N-O 2.76Å; H93-K122 PolarHBondContact O-N 2.9Å; K122-P253 PolarHBondContact NZ-O 3Å; K122-S255 WeakPolarHBondContact CE-O 3.36Å |
| 123 | F | 95.3 | Very high | 72.3 | Confident | 2 Ų | 2 | 62.7 Ų | 62.7 | 1% | 0.009 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 122.5 | 169.7 | -62.4 | -78.1 | 0 | 0 | 0 | 109.9 | M41 F43 F44 I90 Y91 L101 V110 Q111 W114 | M41-F123 HydrophobicContact CE-CD2 3.59Å; M41-F123 HydrophobicContact CE-CE2 3.3Å; M41-F123 HydrophobicContact CE-CG 4.43Å; M41-F123 HydrophobicContact CE-CZ 3.93Å; F43-F123 WeakPolarHBondContact CA-O 3.4Å; F43-F123 HydrophobicContact CD1-CB 3.32Å; F43-F123 HydrophobicContact CD1-CG 4.23Å; F43-F123 HydrophobicContact CE1-CB 3.48Å; F43-F123 VanDerWaalsContact CE1-CB 3.48Å; F43-F123 HydrophobicContact CE1-CD2 4.35Å; F43-F123 AromaticContact CE1-CG 3.9Å; F43-F123 HydrophobicContact CE1-CG 3.9Å; F43-F123 HydrophobicContact CG-CB 4.29Å; F44-F123 PolarHBondContact N-O 3.34Å; I90-F123 HydrophobicContact CG2-CB 4Å; I90-F123 HydrophobicContact CG2-CD1 4.04Å; I90-F123 HydrophobicContact CG2-CG 4.45Å; Y91-F123 CarbonylContact O-C 3.4Å; Y91-F123 WeakPolarHBondContact O-CA 3.41Å; L101-F123 HydrophobicContact CD1-CD1 4.1Å; L101-F123 HydrophobicContact CD1-CE1 4.11Å; L101-F123 HydrophobicContact CD2-CD1 4.43Å; L101-F123 HydrophobicContact CD2-CE1 4.08Å; V110-F123 HydrophobicContact CB-CE1 4.42Å; V110-F123 HydrophobicContact CB-CZ 4.28Å; V110-F123 HydrophobicContact CG1-CE1 3.98Å; V110-F123 HydrophobicContact CG1-CZ 4.01Å; Q111-F123 HydrophobicContact CB-CE2 3.83Å; Q111-F123 HydrophobicContact CB-CZ 4.03Å; Q111-F123 HydrophobicContact CG-CE2 4.05Å; W114-F123 AromaticContact CH2-CD2 3.9Å; W114-F123 HydrophobicContact CH2-CD2 3.9Å; W114-F123 AromaticContact CH2-CE2 3.41Å; W114-F123 HydrophobicContact CH2-CE2 3.41Å; W114-F123 VanDerWaalsContact CH2-CE2 3.41Å; W114-F123 AromaticContact CH2-CZ 3.87Å; W114-F123 HydrophobicContact CH2-CZ 3.87Å; W114-F123 HydrophobicContact CZ2-CD2 4.2Å; W114-F123 HydrophobicContact CZ2-CE1 4.04Å; W114-F123 AromaticContact CZ2-CE2 3.48Å; W114-F123 HydrophobicContact CZ2-CE2 3.48Å; W114-F123 VanDerWaalsContact CZ2-CE2 3.48Å; W114-F123 AromaticContact CZ2-CZ 3.39Å; W114-F123 HydrophobicContact CZ2-CZ 3.39Å; W114-F123 HydrophobicContact CZ3-CE2 4.37Å |
| 124 | V | 94 | Very high | 69.5 | Low | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 114.1 | -177.7 | -168.4 | 0 | 0 | 0 | 0 | 109 | F44 Q46 F52 Y91 H93 K126 L252 | F44-V124 HydrophobicContact CB-CG1 4.4Å; F44-V124 HydrophobicContact CB-CG2 4.43Å; F44-V124 CarbonylContact O-C 3.52Å; F44-V124 VanDerWaalsContact O-CA 3.28Å; F44-V124 WeakPolarHBondContact O-CA 3.24Å; Q46-V124 HydrophobicContact CB-CG1 4.13Å; F52-V124 HydrophobicContact CD1-CG1 4.45Å; F52-V124 HydrophobicContact CE1-CG1 4.09Å; Y91-V124 PolarHBondContact N-O 3.21Å; Y91-V124 PolarHBondContact O-N 2.83Å; H93-V124 HydrophobicContact CB-CG2 4.33Å; V124-K126 HydrophobicContact CB-CG 4.47Å; V124-K126 HydrophobicContact CG1-CD 4.48Å; V124-K126 HydrophobicContact CG1-CG 3.87Å; V124-L252 HydrophobicContact CG2-CD2 3.84Å |
| 125 | L | 94 | Very high | 66.8 | Low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 127.7 | 165.8 | -167 | 76.4 | 0 | 0 | 0 | 108.2 | F44 L45 Q46 A69 L72 F76 I78 F88 G89 I90 | F44-L125 PolarHBondContact O-N 2.79Å; L45-L125 HydrophobicContact CD1-CD2 4.32Å; Q46-L125 PolarHBondContact N-O 2.69Å; Q46-L125 VanDerWaalsContact N-O 3.08Å; A69-L125 HydrophobicContact CB-CD1 4.25Å; L72-L125 HydrophobicContact CB-CD2 3.98Å; F76-L125 HydrophobicContact CD2-CD2 4.27Å; I78-L125 HydrophobicContact CD1-CD2 4.12Å; F88-L125 HydrophobicContact CB-CD1 3.96Å; F88-L125 HydrophobicContact CB-CD2 4.47Å; F88-L125 HydrophobicContact CB-CG 4.18Å; F88-L125 HydrophobicContact CD1-CD2 4.02Å; F88-L125 HydrophobicContact CD1-CG 3.95Å; F88-L125 HydrophobicContact CG-CD2 4.43Å; F88-L125 HydrophobicContact CG-CG 4.44Å; G89-L125 WeakPolarHBondContact O-CA 3.31Å; I90-L125 HydrophobicContact CG1-CD1 3.78Å |
| 126 | K | 90.4 | Very high | 64.7 | Low | 42 Ų | 42 | 84.7 Ų | 84.7 | 18% | 0.183 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 152.9 | 176.4 | -51.6 | -170 | -178.4 | -148.3 | 0 | 110.5 | Q46 F88 G89 Y91 H93 V124 | Q46-K126 HydrophobicContact CB-CG 4.25Å; F88-K126 WeakPolarHBondContact CA-O 3.42Å; G89-K126 PolarHBondContact N-O 2.77Å; G89-K126 PolarHBondContact O-N 2.82Å; Y91-K126 HydrophobicContact CD2-CB 3.91Å; Y91-K126 HydrophobicContact CD2-CD 3.97Å; Y91-K126 HydrophobicContact CD2-CG 3.76Å; Y91-K126 HydrophobicContact CE2-CB 3.74Å; Y91-K126 HydrophobicContact CE2-CD 4.25Å; Y91-K126 HydrophobicContact CE2-CG 4.1Å; Y91-K126 HydrophobicContact CG-CD 4.32Å; Y91-K126 HydrophobicContact CG-CG 4.48Å; H93-K126 PolarHBondContact NE2-NZ 3.08Å; V124-K126 HydrophobicContact CB-CG 4.47Å; V124-K126 HydrophobicContact CG1-CD 4.48Å; V124-K126 HydrophobicContact CG1-CG 3.87Å |
| 127 | L | 86.5 | Confident | 62.5 | Low | 57 Ų | 57 | 86.4 Ų | 86.4 | 30% | 0.298 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 138.4 | 164 | -142.3 | 71.4 | 0 | 0 | 0 | 110.1 | K86 F88 | K86-L127 HydrophobicContact CB-CD1 3.9Å; K86-L127 HydrophobicContact CD-CD1 4.1Å; K86-L127 HydrophobicContact CD-CD2 4.03Å; K86-L127 HydrophobicContact CG-CD1 4.33Å; K86-L127 HydrophobicContact CG-CD2 4.4Å; F88-L127 HydrophobicContact CD1-CD1 4.09Å; F88-L127 HydrophobicContact CD2-CD1 4.17Å; F88-L127 HydrophobicContact CE1-CD1 3.49Å; F88-L127 VanDerWaalsContact CE1-CD1 3.49Å; F88-L127 HydrophobicContact CE2-CD1 3.59Å; F88-L127 HydrophobicContact CG-CD1 4.41Å; F88-L127 HydrophobicContact CZ-CD1 3.2Å |
| 128 | E | 80.4 | Confident | 60.7 | Low | 29 Ų | 29 | 88.3 Ų | 88.3 | 14% | 0.136 | 49% | 0.486 | C | S | . | . | P | Polyproline II helix | trans | -85 | 132.4 | 166.9 | -62.5 | -173.2 | -161.6 | 0 | 0 | 109.2 | R87 G89 R100 N130 | R87-E128 HydrophobicContact CB-CB 4.34Å; R87-E128 HydrophobicContact CB-CG 4.45Å; R87-E128 WeakPolarHBondContact O-CB 3.41Å; R87-E128 PolarHBondContact O-N 3.34Å; G89-E128 WeakPolarHBondContact CA-OE1 3.34Å; G89-E128 PolarHBondContact N-OE1 3.1Å; R100-E128 IonicContact CZ-OE1 3.35Å; R100-E128 IonicContact CZ-OE2 2.99Å; R100-E128 IonicContact NE-OE1 3.53Å; R100-E128 IonicContact NH1-OE1 2.91Å; R100-E128 PolarHBondContact NH1-OE1 3.32Å; R100-E128 IonicContact NH1-OE2 3.82Å; R100-E128 PolarHBondContact NH1-OE2 3.37Å; R100-E128 IonicContact NH2-OE1 3Å; R100-E128 PolarHBondContact NH2-OE1 3.2Å; R100-E128 IonicContact NH2-OE2 3.09Å; R100-E128 PolarHBondContact NH2-OE2 2.98Å; E128-N130 PolarHBondContact O-N 3.06Å |
| 129 | P | 66.5 | Low | 58.9 | Low | 111 Ų | 111 | 89.2 Ų | 89.2 | 72% | 0.721 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -64.3 | 123.1 | 170.4 | 27.3 | -32.4 | 0 | 0 | 0 | 108.7 | S131 | P129-S131 PolarHBondContact O-N 3.3Š|
| 130 | N | 51.4 | Low | 56.7 | Low | 114 Ų | 114 | 93.4 Ų | 93.4 | 61% | 0.61 | 51% | 0.507 | S | S | * | . | trans | -55.5 | 108.5 | 179 | -77.3 | -16.5 | 0 | 0 | 0 | 110 | E128 G132 | E128-N130 PolarHBondContact O-N 3.06Å; N130-G132 PolarHBondContact O-N 3.47Å | ||
| 131 | S | 39.3 | Very low | 54.5 | Low | 129 Ų | 129 | 97.7 Ų | 97.7 | 90% | 0.902 | 53% | 0.53 | S | S | * | . | trans | -79.1 | 60.6 | -176.5 | 62.4 | 0 | 0 | 0 | 0 | 112.1 | P129 | P129-S131 PolarHBondContact O-N 3.3Š| ||
| 132 | G | 30.5 | Very low | 51.8 | Low | 61 Ų | 61 | 105.3 Ų | 105.3 | 63% | 0.629 | 56% | 0.563 | S | S | * | * | trans | -93.9 | 127.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111 | N130 I134 | N130-G132 PolarHBondContact O-N 3.47Å; G132-I134 PolarHBondContact O-N 3.06Å | ||
| 133 | H | 30.3 | Very low | 48.7 | Very low | 189 Ų | 189 | 112.3 Ų | 112.3 | 88% | 0.875 | 60% | 0.602 | S | S | * | * | S | Bend | trans | 35.7 | 75.9 | 161 | -89 | -75.2 | 0 | 0 | 0 | 119.2 | ||
| 134 | I | 27.1 | Very low | 45.5 | Very low | 168 Ų | 168 | 115.1 Ų | 115.1 | 86% | 0.862 | 63% | 0.631 | S | S | * | * | trans | -132.2 | 80.5 | 133.9 | -52.1 | -178.3 | 0 | 0 | 0 | 109.1 | G132 | G132-I134 PolarHBondContact O-N 3.06Š| ||
| 135 | Q | 28.6 | Very low | 42.4 | Very low | 181 Ų | 181 | 121 Ų | 121 | 85% | 0.846 | 67% | 0.668 | S | S | * | * | trans | -87.5 | 128.5 | 151.5 | -79.1 | -166.5 | -0.5 | 0 | 0 | 108.3 | N137 | Q135-N137 PolarHBondContact O-N 3.13Š| ||
| 136 | K | 27.3 | Very low | 39.4 | Very low | 198 Ų | 198 | 127.4 Ų | 127.4 | 86% | 0.861 | 70% | 0.702 | S | S | * | * | trans | -18.1 | 114 | 175.9 | -60.2 | 173.4 | 177.3 | -178.1 | 0 | 116.3 | ||||
| 137 | N | 22.9 | Very low | 36.4 | Very low | 168 Ų | 168 | 132 Ų | 132 | 90% | 0.898 | 73% | 0.727 | S | S | * | * | trans | -111.7 | 78.2 | 148.9 | -96.4 | -13.7 | 0 | 0 | 0 | 109.4 | Q135 | Q135-N137 PolarHBondContact O-N 3.13Š| ||
| 138 | V | 28.9 | Very low | 33.6 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -135.3 | 83.6 | 160.5 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | ||
| 139 | S | 26.5 | Very low | 31.5 | Very low | 86 Ų | 86 | 141.7 Ų | 141.7 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | 38.9 | 106.4 | 151.4 | 61.7 | 0 | 0 | 0 | 0 | 119.6 | I141 | S139-I141 PolarHBondContact O-N 2.67Š| ||
| 140 | E | 22.7 | Very low | 29.8 | Very low | 206 Ų | 206 | 142.6 Ų | 142.6 | 96% | 0.963 | 78% | 0.779 | S | S | * | * | trans | -78.9 | 100.5 | 145.2 | -73.4 | -171.2 | 137.9 | 0 | 0 | 109.8 | ||||
| 141 | I | 27.3 | Very low | 28.9 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -145.8 | 137.7 | 157.2 | -4.4 | 178 | 0 | 0 | 0 | 104.6 | S139 | S139-I141 PolarHBondContact O-N 2.67Š| ||
| 142 | Q | 28 | Very low | 28.5 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | -142.3 | 175.3 | 20.5 | -58.1 | 160 | -24 | 0 | 0 | 110.5 | ||||
| 143 | N | 24.6 | Very low | 28.5 | Very low | 174 Ų | 174 | 145.4 Ų | 145.4 | 93% | 0.93 | 77% | 0.774 | S | S | * | * | trans | -154.9 | 118.1 | 140.8 | -104.8 | -38.3 | 0 | 0 | 0 | 111.7 | ||||
| 144 | G | 28.4 | Very low | 28.6 | Very low | 60 Ų | 60 | 142.7 Ų | 142.7 | 62% | 0.619 | 77% | 0.766 | S | S | * | * | trans | 88.9 | 148.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 145 | T | 29.1 | Very low | 28.9 | Very low | 125 Ų | 125 | 139.2 Ų | 139.2 | 77% | 0.767 | 76% | 0.757 | S | S | * | * | cis | -165.4 | 151.4 | -15.7 | -5.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 146 | N | 29.7 | Very low | 29.1 | Very low | 133 Ų | 133 | 137.3 Ų | 137.3 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | 81.7 | 144.7 | 152.8 | -55.2 | -15.9 | 0 | 0 | 0 | 121.5 | ||||
| 147 | L | 27.4 | Very low | 29.3 | Very low | 138 Ų | 138 | 134.1 Ų | 134.1 | 72% | 0.723 | 75% | 0.749 | S | S | * | * | cis | -162.3 | 146.3 | -23 | -109.2 | 177.3 | 0 | 0 | 0 | 111.3 | ||||
| 148 | L | 27.9 | Very low | 29.4 | Very low | 123 Ų | 123 | 132.1 Ų | 132.1 | 64% | 0.644 | 75% | 0.747 | S | S | * | * | trans | 19.8 | 134.1 | 154.8 | -68.1 | 171.1 | 0 | 0 | 0 | 123.4 | ||||
| 149 | N | 36.4 | Very low | 29.4 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 89% | 0.893 | 75% | 0.746 | S | S | * | * | -158.5 | 147.3 | 110.4 | -98.5 | -28.2 | 0 | 0 | 0 | 112.2 | |||||
| 150 | D | 30.9 | Very low | 29.5 | Very low | 131 Ų | 131 | 131 Ų | 131 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | -96.6 | -173 | -171.3 | -80.7 | -65.9 | 0 | 0 | 0 | 112.3 | ||||
| 151 | P | 34 | Very low | 29.7 | Very low | 94 Ų | 94 | 126.8 Ų | 126.8 | 61% | 0.61 | 75% | 0.745 | S | S | * | * | cis | -151.5 | -179.6 | 17.2 | 46.7 | -26.5 | 0 | 0 | 0 | 120.7 | ||||
| 152 | N | 30 | Very low | 29.8 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 74% | 0.738 | 75% | 0.745 | S | S | * | * | trans | 67.3 | 151.9 | 153.6 | -61.9 | -26.5 | 0 | 0 | 0 | 118.9 | ||||
| 153 | N | 31.1 | Very low | 29.7 | Very low | 131 Ų | 131 | 125.8 Ų | 125.8 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | cis | -155.6 | 160.8 | -12.5 | -115.1 | -23.3 | 0 | 0 | 0 | 107 | ||||
| 154 | N | 31.4 | Very low | 29.7 | Very low | 132 Ų | 132 | 121.7 Ų | 121.7 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -166.1 | 144.2 | 38.5 | -125.5 | -7.6 | 0 | 0 | 0 | 111.5 | ||||
| 155 | S | 34.3 | Very low | 29.7 | Very low | 94 Ų | 94 | 127.3 Ų | 127.3 | 66% | 0.657 | 74% | 0.737 | S | S | * | * | trans | 50.8 | 139.5 | 152.5 | 60.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 156 | N | 31.5 | Very low | 29.8 | Very low | 142 Ų | 142 | 127 Ų | 127 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | cis | -157 | 133.6 | -1 | -96.3 | -12.6 | 0 | 0 | 0 | 108.6 | ||||
| 157 | V | 31.1 | Very low | 29.6 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | 68.6 | 127.9 | 80.4 | 175.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 158 | C | 26.6 | Very low | 29.5 | Very low | 125 Ų | 125 | 130.1 Ų | 130.1 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | cis | -151.7 | 153.1 | -6 | -131.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 159 | G | 28.4 | Very low | 29.3 | Very low | 74 Ų | 74 | 133.4 Ų | 133.4 | 76% | 0.763 | 75% | 0.745 | S | S | * | * | 108.8 | 155.7 | 73.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 160 | S | 27.8 | Very low | 29.4 | Very low | 119 Ų | 119 | 130.6 Ų | 130.6 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | cis | -171.2 | -171.1 | -12.7 | -175.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 161 | V | 27.1 | Very low | 29 | Very low | 118 Ų | 118 | 135.2 Ų | 135.2 | 72% | 0.715 | 74% | 0.744 | S | S | * | * | trans | 92.7 | 99.1 | 154.2 | -175.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 162 | I | 30.6 | Very low | 28.4 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | trans | 75.5 | 113.4 | 131 | -64.9 | -178.8 | 0 | 0 | 0 | 123.3 | ||||
| 163 | N | 25.4 | Very low | 28 | Very low | 148 Ų | 148 | 140.8 Ų | 140.8 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | 36.1 | 151.3 | 122.8 | -76.1 | -25.3 | 0 | 0 | 0 | 123.1 | |||||
| 164 | S | 23.8 | Very low | 27.6 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | cis | -176.2 | 176.5 | -5.4 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 165 | K | 28.9 | Very low | 27 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 78% | 0.778 | 75% | 0.753 | S | S | * | * | trans | 88.8 | 125.6 | 152.7 | -71.5 | 174.1 | -178.1 | 176.4 | 0 | 122 | ||||
| 166 | T | 30.4 | Very low | 26.5 | Very low | 119 Ų | 119 | 145 Ų | 145 | 73% | 0.73 | 75% | 0.753 | S | S | * | * | trans | 69.8 | 147.4 | 137.1 | 53.1 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 167 | R | 25.5 | Very low | 26.1 | Very low | 213 Ų | 213 | 146.6 Ų | 146.6 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | cis | -170.5 | 156.3 | -23.2 | -120.5 | -177.4 | -174.5 | -168 | 2.3 | 110.3 | ||||
| 168 | L | 27 | Very low | 25.7 | Very low | 123 Ų | 123 | 146 Ų | 146 | 64% | 0.644 | 74% | 0.737 | S | S | * | * | trans | 62.3 | 118.7 | 148.3 | -59.6 | 166.3 | 0 | 0 | 0 | 122.5 | ||||
| 169 | F | 22.4 | Very low | 25.5 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 84% | 0.842 | 73% | 0.729 | S | S | * | * | trans | 65.9 | 165.2 | 132.2 | -72.1 | -44.9 | 0 | 0 | 0 | 122.3 | ||||
| 170 | P | 38.8 | Very low | 25.4 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -125.7 | -164.7 | -152.3 | 44.2 | -28.7 | 0 | 0 | 0 | 114.6 | ||||
| 171 | R | 23.2 | Very low | 25.2 | Very low | 227 Ų | 227 | 151.4 Ų | 151.4 | 86% | 0.857 | 73% | 0.727 | S | S | * | * | trans | 91.9 | 149.5 | 167 | -74.7 | -179.7 | 171.9 | 174.7 | -2.4 | 118 | ||||
| 172 | L | 21 | Very low | 25.6 | Very low | 126 Ų | 126 | 150.9 Ų | 150.9 | 66% | 0.66 | 73% | 0.728 | S | S | * | * | trans | 73.8 | 120.1 | 152.9 | -94.4 | 72 | 0 | 0 | 0 | 120.9 | ||||
| 173 | W | 21.2 | Very low | 25.7 | Very low | 223 Ų | 223 | 149.3 Ų | 149.3 | 85% | 0.845 | 73% | 0.728 | S | S | * | * | 95.2 | 112.5 | 123.2 | -80.8 | 13.7 | 0 | 0 | 0 | 123.6 | |||||
| 174 | S | 22.2 | Very low | 25.8 | Very low | 96 Ų | 96 | 149.5 Ų | 149.5 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | 98.1 | 137.6 | 113.3 | 78.6 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 175 | F | 20.1 | Very low | 26.2 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | trans | 39.5 | 126.9 | 139.5 | -82.3 | -107 | 0 | 0 | 0 | 122.1 | ||||
| 176 | R | 23.6 | Very low | 26.3 | Very low | 173 Ų | 173 | 146.9 Ų | 146.9 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | trans | 80.6 | 112.4 | 135.2 | -84.5 | 178.8 | -176.2 | -173.4 | 5.8 | 120.4 | ||||
| 177 | R | 22.6 | Very low | 26.2 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 66% | 0.66 | 72% | 0.722 | S | S | * | * | 94.8 | 112.1 | 101.3 | -173.6 | 174.2 | -119.1 | 179 | 4.6 | 119.4 | |||||
| 178 | E | 22.6 | Very low | 26.4 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 56% | 0.556 | 71% | 0.707 | S | S | * | * | trans | 68.2 | 115.7 | 142.3 | -68.6 | 173.6 | -116.9 | 0 | 0 | 121.8 | ||||
| 179 | K | 23 | Very low | 26.5 | Very low | 153 Ų | 153 | 142.4 Ų | 142.4 | 67% | 0.665 | 70% | 0.704 | S | S | * | * | 72.5 | 123.4 | 122.3 | -68.1 | 174.5 | -177.9 | 153.1 | 0 | 121.5 | |||||
| 180 | I | 26.1 | Very low | 26.8 | Very low | 142 Ų | 142 | 139 Ų | 139 | 73% | 0.728 | 69% | 0.691 | S | S | * | * | 61.2 | 119.2 | 122.8 | -53.4 | 166.3 | 0 | 0 | 0 | 115.3 | |||||
| 181 | T | 24.5 | Very low | 26.3 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 69% | 0.687 | S | S | * | * | -162.6 | 159.7 | 58.6 | -27.8 | 0 | 0 | 0 | 0 | 112 | |||||
| 182 | S | 34.3 | Very low | 26.5 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | trans | -120.9 | 158.3 | 162.2 | 54.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 183 | P | 33.7 | Very low | 26.9 | Very low | 113 Ų | 113 | 144 Ų | 144 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -121.6 | 141.1 | 177.5 | 37.6 | -25.5 | 0 | 0 | 0 | 115.8 | ||||
| 184 | M | 27.8 | Very low | 27.2 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 75% | 0.749 | 69% | 0.692 | S | S | * | * | trans | 66.6 | 148.2 | 149.3 | -61.1 | 177.9 | 99 | 0 | 0 | 118.4 | F1827 | M184-F1827 HydrophobicContact CE-CE1 4.17Å; M184-F1827 HydrophobicContact CE-CZ 4.05Å | ||
| 185 | T | 32 | Very low | 28 | Very low | 102 Ų | 102 | 142.1 Ų | 142.1 | 63% | 0.626 | 69% | 0.691 | S | S | * | * | cis | -163.8 | 162.6 | -7.9 | 16.1 | 0 | 0 | 0 | 0 | 109.8 | F1827 | T185-F1827 HydrophobicContact CG2-CZ 4.4Š| ||
| 186 | V | 29.8 | Very low | 28.3 | Very low | 109 Ų | 109 | 142 Ų | 142 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | -167.4 | 145.1 | -50.2 | 79.4 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 187 | K | 28.3 | Very low | 28.3 | Very low | 174 Ų | 174 | 135.9 Ų | 135.9 | 76% | 0.757 | 69% | 0.688 | S | S | * | * | trans | -171.2 | 126.5 | 146.6 | -110.6 | 173.9 | -173.7 | -178.6 | 0 | 112.6 | ||||
| 188 | T | 30.1 | Very low | 28.5 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 49% | 0.491 | 68% | 0.684 | S | S | . | * | trans | 37.8 | 134.3 | 149.9 | 54.3 | 0 | 0 | 0 | 0 | 121 | N1825 | T188-N1825 WeakPolarHBondContact CG2-ND2 3.49Å; T188-N1825 VanDerWaalsContact CG2-OD1 3.22Å; T188-N1825 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 189 | D | 29.1 | Very low | 28.9 | Very low | 106 Ų | 106 | 127.8 Ų | 127.8 | 57% | 0.567 | 67% | 0.673 | S | S | * | * | cis | -161.2 | -177.7 | 9.4 | -126.6 | -34.2 | 0 | 0 | 0 | 115.3 | S1824 | D189-S1824 WeakPolarHBondContact OD1-CB 3.36Å; D189-S1824 WeakPolarHBondContact OD2-CB 3.38Å; D189-S1824 PolarHBondContact OD2-OG 3.46Å | ||
| 190 | E | 29.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 124 Ų | 124 | 57% | 0.565 | 67% | 0.671 | S | S | * | * | trans | -21.1 | 161.5 | 168.9 | -59 | -144.5 | 136.1 | 0 | 0 | 122.1 | ||||
| 191 | R | 28.3 | Very low | 29.3 | Very low | 166 Ų | 166 | 120.8 Ų | 120.8 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | cis | -171.9 | 142.5 | -21.6 | -103 | -177.2 | 178.6 | 153.5 | -0.1 | 109.5 | ||||
| 192 | R | 26.4 | Very low | 29.5 | Very low | 198 Ų | 198 | 121.5 Ų | 121.5 | 75% | 0.747 | 68% | 0.676 | S | S | * | * | trans | 62 | 135.6 | 141 | -69 | 176.6 | 173.7 | 154.4 | -3.1 | 122.9 | ||||
| 193 | K | 30.3 | Very low | 29.1 | Very low | 201 Ų | 201 | 119.6 Ų | 119.6 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | trans | 94.8 | 117 | 141.2 | -81.7 | -177.4 | 175.3 | -166.4 | 0 | 121.7 | ||||
| 194 | Q | 25.9 | Very low | 28.8 | Very low | 179 Ų | 179 | 122 Ų | 122 | 84% | 0.836 | 68% | 0.68 | S | S | * | * | trans | -62.2 | -178.4 | 148 | -63.7 | 170.9 | -22.9 | 0 | 0 | 112.7 | ||||
| 195 | P | 40.6 | Very low | 28.8 | Very low | 102 Ų | 102 | 120 Ų | 120 | 66% | 0.662 | 68% | 0.68 | S | S | * | * | cis | -134.2 | -165.7 | -42.9 | 36.4 | -18.2 | 0 | 0 | 0 | 112.2 | ||||
| 196 | L | 25.2 | Very low | 28.5 | Very low | 174 Ų | 174 | 124.1 Ų | 124.1 | 91% | 0.911 | 69% | 0.69 | S | S | * | * | trans | 62.4 | 107.6 | 162.6 | -61.1 | 164.7 | 0 | 0 | 0 | 117.1 | ||||
| 197 | G | 24.8 | Very low | 28.5 | Very low | 45 Ų | 45 | 125.4 Ų | 125.4 | 46% | 0.464 | 70% | 0.698 | S | S | . | * | cis | 169.6 | 170.7 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 198 | C | 27.2 | Very low | 28.5 | Very low | 85 Ų | 85 | 122 Ų | 122 | 57% | 0.574 | 70% | 0.696 | S | S | * | * | trans | 96.7 | -171.6 | 162.7 | -45.2 | 0 | 0 | 0 | 0 | 119.3 | E1779 K1780 S1781 | C198-E1779 HydrophobicContact CB-CB 3.52Å; C198-E1779 HydrophobicContact CB-CG 3.45Å; C198-E1779 VanDerWaalsContact CB-CG 3.45Å; C198-E1779 VanDerWaalsContact SG-CG 3.58Å; C198-K1780 PolarHBondContact SG-N 3.22Å; C198-S1781 WeakPolarHBondContact O-CB 3.42Å | ||
| 199 | A | 30.8 | Very low | 28.4 | Very low | 39 Ų | 39 | 129 Ų | 129 | 32% | 0.322 | 71% | 0.713 | S | S | . | * | cis | -170.9 | -170.2 | 10.9 | 0 | 0 | 0 | 0 | 0 | 120.7 | E1779 K1780 S1781 | A199-E1779 VanDerWaalsContact C-OE2 3.29Å; A199-E1779 VanDerWaalsContact CA-CD 3.42Å; A199-E1779 WeakPolarHBondContact CA-OE2 3.47Å; A199-E1779 HydrophobicContact CB-CB 3.47Å; A199-E1779 VanDerWaalsContact CB-CB 3.47Å; A199-E1779 HydrophobicContact CB-CG 4.04Å; A199-K1780 VanDerWaalsContact CB-C 3.41Å; A199-S1781 VanDerWaalsContact CA-OG 3.28Å; A199-S1781 WeakPolarHBondContact CA-OG 3.28Å; A199-S1781 VanDerWaalsContact CB-CB 3.46Å; A199-S1781 WeakPolarHBondContact CB-OG 3.41Å; A199-S1781 VanDerWaalsContact N-CB 3.25Å; A199-S1781 PolarHBondContact N-OG 3.39Å; A199-S1781 PolarHBondContact O-OG 3.19Å | ||
| 200 | A | 28 | Very low | 28.2 | Very low | 74 Ų | 74 | 128.6 Ų | 128.6 | 61% | 0.612 | 72% | 0.719 | S | S | * | * | trans | -60.5 | 135.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 122.6 | E1779 | A200-E1779 WeakPolarHBondContact CB-OE2 3.08Å; A200-E1779 PolarHBondContact N-OE2 3.33Å | ||
| 201 | G | 29 | Very low | 28.2 | Very low | 74 Ų | 74 | 129.6 Ų | 129.6 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | trans | 79.6 | 144.9 | 135.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 202 | V | 27.8 | Very low | 28.2 | Very low | 150 Ų | 150 | 130 Ų | 130 | 91% | 0.909 | 73% | 0.733 | S | S | * | * | cis | -151.4 | 131.6 | -6.5 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 203 | G | 26.7 | Very low | 28.2 | Very low | 68 Ų | 68 | 126.3 Ų | 126.3 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | trans | 59.6 | 178.6 | 156.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 204 | L | 26.5 | Very low | 28.2 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 86% | 0.859 | 72% | 0.716 | S | S | * | * | cis | -168 | 151.6 | -39.5 | -122.2 | 176.2 | 0 | 0 | 0 | 108.1 | ||||
| 205 | S | 28.3 | Very low | 28.3 | Very low | 109 Ų | 109 | 121.1 Ų | 121.1 | 76% | 0.762 | 71% | 0.714 | S | S | * | * | trans | 65.8 | 156.4 | 174.1 | 81.5 | 0 | 0 | 0 | 0 | 117 | ||||
| 206 | K | 27 | Very low | 27.9 | Very low | 189 Ų | 189 | 123 Ų | 123 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | cis | -179.8 | 124.6 | -43.8 | -110.9 | 174.7 | 179.2 | -178.2 | 0 | 106.1 | ||||
| 207 | T | 29.1 | Very low | 28.1 | Very low | 135 Ų | 135 | 119.5 Ų | 119.5 | 83% | 0.828 | 71% | 0.709 | S | S | * | * | trans | 160.9 | 134.4 | 134.5 | 37.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 208 | S | 28.3 | Very low | 28 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 72% | 0.724 | S | S | * | * | trans | 48.8 | 138.9 | 131.2 | -54 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 209 | R | 26.8 | Very low | 28 | Very low | 228 Ų | 228 | 127.6 Ų | 127.6 | 86% | 0.86 | 73% | 0.733 | S | S | * | * | cis | -172.1 | 155.2 | -19.2 | -130.9 | 175.1 | -173.7 | 178.9 | 1.8 | 112.8 | ||||
| 210 | S | 26.8 | Very low | 27.7 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | trans | 84.4 | 146.7 | 142 | 75.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 211 | I | 27.9 | Very low | 27.5 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | trans | 70.8 | 123.3 | 154.6 | -71.6 | 159.2 | 0 | 0 | 0 | 115.8 | ||||
| 212 | F | 28.2 | Very low | 27.3 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 77% | 0.772 | 75% | 0.749 | S | S | * | * | cis | -167.4 | 175.2 | -0 | -120.5 | -25.1 | 0 | 0 | 0 | 108.5 | ||||
| 213 | N | 26.5 | Very low | 27.2 | Very low | 119 Ų | 119 | 132 Ų | 132 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | cis | -160.7 | -167.8 | -8.7 | -161.4 | 9 | 0 | 0 | 0 | 110.1 | ||||
| 214 | T | 30.6 | Very low | 27.2 | Very low | 103 Ų | 103 | 134.5 Ų | 134.5 | 63% | 0.632 | 75% | 0.749 | S | S | * | * | trans | 67.5 | 110.5 | 157.9 | 52.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 215 | E | 29.2 | Very low | 27.4 | Very low | 169 Ų | 169 | 135 Ų | 135 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | 62 | 129.6 | 143.5 | -66.4 | 174.9 | -146 | 0 | 0 | 119.9 | ||||
| 216 | N | 30.7 | Very low | 27.3 | Very low | 141 Ų | 141 | 138 Ų | 138 | 75% | 0.754 | 75% | 0.75 | S | S | * | * | cis | -132.5 | 175.9 | 11.4 | -97.3 | -55 | 0 | 0 | 0 | 113.8 | ||||
| 217 | S | 29.4 | Very low | 27.2 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -76.7 | 163.8 | -160 | 74.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 218 | L | 24.2 | Very low | 27.1 | Very low | 151 Ų | 151 | 137.8 Ų | 137.8 | 79% | 0.791 | 74% | 0.742 | S | S | * | * | cis | 73.6 | 156.6 | 19.5 | -45.9 | 175.2 | 0 | 0 | 0 | 113.2 | ||||
| 219 | I | 26.4 | Very low | 26.9 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | cis | -159.5 | 167.7 | -1.2 | -134.2 | 173.3 | 0 | 0 | 0 | 107.4 | ||||
| 220 | C | 23.5 | Very low | 26.9 | Very low | 111 Ų | 111 | 132 Ų | 132 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | cis | -154.5 | -156.7 | -5.8 | -155 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 221 | L | 25.6 | Very low | 26.8 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 59% | 0.586 | 75% | 0.748 | S | S | * | * | trans | -90 | 176.9 | 167.6 | -84.2 | 157.9 | 0 | 0 | 0 | 113.3 | ||||
| 222 | L | 24.1 | Very low | 26.8 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 69% | 0.686 | 75% | 0.749 | S | S | * | * | trans | 75 | 145.5 | 152.4 | -81.8 | 145.5 | 0 | 0 | 0 | 121.2 | ||||
| 223 | G | 25.2 | Very low | 26.7 | Very low | 75 Ų | 75 | 128.8 Ų | 128.8 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | 121.6 | 79.9 | 143.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 224 | S | 28.1 | Very low | 26.7 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -66.6 | 153.3 | 176.3 | -46.1 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 225 | I | 29.9 | Very low | 26.5 | Very low | 173 Ų | 173 | 131.9 Ų | 131.9 | 89% | 0.887 | 76% | 0.758 | S | S | * | * | trans | -154.4 | 155.6 | 144.1 | -105.7 | 156.3 | 0 | 0 | 0 | 110 | ||||
| 226 | K | 25.9 | Very low | 26.3 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | -94.5 | 154.4 | -173.3 | -59.2 | 170.2 | -178.1 | 173.9 | 0 | 112.1 | ||||
| 227 | H | 25.9 | Very low | 26.1 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 69% | 0.69 | 76% | 0.763 | S | S | * | * | 171.3 | 148.3 | 104.9 | -95.2 | -79.9 | 0 | 0 | 0 | 114.5 | |||||
| 228 | H | 25.8 | Very low | 25.9 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 79% | 0.787 | 76% | 0.763 | S | S | * | * | trans | 33.1 | 136.9 | 158.3 | -57.9 | -62.6 | 0 | 0 | 0 | 123.8 | ||||
| 229 | G | 24.5 | Very low | 25.9 | Very low | 74 Ų | 74 | 137 Ų | 137 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | 128.1 | 89.3 | 108.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 230 | S | 26 | Very low | 25.9 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | trans | -15.5 | 137.9 | 158.4 | -172.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 231 | G | 25.2 | Very low | 26.2 | Very low | 65 Ų | 65 | 138.5 Ų | 138.5 | 67% | 0.67 | 76% | 0.762 | S | S | * | * | trans | 154.9 | 108.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 232 | D | 27.5 | Very low | 26.3 | Very low | 142 Ų | 142 | 142 Ų | 142 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 36.2 | 106.7 | 148.2 | -69 | -61 | 0 | 0 | 0 | 123.6 | ||||
| 233 | N | 26.3 | Very low | 26.6 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | 67.6 | 152.7 | 112.6 | -78.7 | -54.5 | 0 | 0 | 0 | 123.7 | |||||
| 234 | I | 26.4 | Very low | 26.6 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 76% | 0.759 | 77% | 0.771 | S | S | * | * | trans | 90.4 | 99.6 | 156.8 | -75.7 | 162.1 | 0 | 0 | 0 | 120.3 | ||||
| 235 | I | 26.8 | Very low | 26.7 | Very low | 138 Ų | 138 | 143.8 Ų | 143.8 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | trans | 86.6 | 101.8 | 137.4 | -65.6 | -179.9 | 0 | 0 | 0 | 121.5 | ||||
| 236 | H | 25.1 | Very low | 26.6 | Very low | 157 Ų | 157 | 140 Ų | 140 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | 39.7 | 123.6 | 137.7 | -66.2 | -82 | 0 | 0 | 0 | 122.7 | ||||
| 237 | R | 26.9 | Very low | 26.6 | Very low | 247 Ų | 247 | 137.8 Ų | 137.8 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | -158.3 | 160.8 | 92.9 | -108.3 | 172.8 | 177.9 | 165.7 | 0.7 | 113.5 | |||||
| 238 | N | 23.8 | Very low | 26.9 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 70% | 0.701 | 75% | 0.748 | S | S | * | * | trans | -73 | 142.4 | -169.5 | -58.7 | -17.4 | 0 | 0 | 0 | 113.7 | ||||
| 239 | N | 26 | Very low | 27.2 | Very low | 136 Ų | 136 | 131.7 Ų | 131.7 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | -178.8 | 134.8 | 98.6 | -94.4 | -28.3 | 0 | 0 | 0 | 115.1 | |||||
| 240 | N | 25.2 | Very low | 27.8 | Very low | 138 Ų | 138 | 132.1 Ų | 132.1 | 74% | 0.738 | 72% | 0.724 | S | S | * | * | trans | 66.8 | 145.6 | 152.9 | -59.1 | -27.1 | 0 | 0 | 0 | 121.4 | ||||
| 241 | N | 30.6 | Very low | 28.3 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | 55.9 | 79.5 | 167 | -58.4 | -8 | 0 | 0 | 0 | 116.2 | ||||
| 242 | K | 27.7 | Very low | 29.4 | Very low | 186 Ų | 186 | 129.9 Ų | 129.9 | 81% | 0.809 | 69% | 0.691 | S | S | * | * | 51.2 | 114.3 | 74.3 | -72.1 | -169.5 | 173.5 | -179.6 | 0 | 116.1 | |||||
| 243 | N | 30.5 | Very low | 30 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 59% | 0.594 | 68% | 0.676 | S | S | * | * | trans | 69.8 | 115.9 | 139.5 | -57.6 | 28.2 | 0 | 0 | 0 | 116.3 | I245 | N243-I245 HydrophobicContact CB-CD1 4.22Å; N243-I245 HydrophobicContact CB-CG1 4.15Å | ||
| 244 | S | 24.5 | Very low | 30.6 | Very low | 119 Ų | 119 | 126.4 Ų | 126.4 | 83% | 0.832 | 68% | 0.676 | S | S | * | * | cis | 55.2 | 75.9 | 14.5 | 83.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 245 | I | 30.8 | Very low | 31.2 | Very low | 134 Ų | 134 | 122.8 Ų | 122.8 | 69% | 0.687 | 66% | 0.664 | S | S | * | * | trans | -131.1 | 136.1 | 167.2 | -79.2 | 167.3 | 0 | 0 | 0 | 108.2 | N243 | N243-I245 HydrophobicContact CB-CD1 4.22Å; N243-I245 HydrophobicContact CB-CG1 4.15Å | ||
| 246 | S | 26.5 | Very low | 31.7 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 65% | 0.65 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 168.6 | 175.4 | 54.4 | 0 | 0 | 0 | 0 | 112.3 | N248 | S246-N248 PolarHBondContact O-N 2.89Š|
| 247 | P | 27.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 114.7 Ų | 114.7 | 84% | 0.838 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 133.8 | 163.1 | 24.2 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 248 | N | 30.5 | Very low | 32.4 | Very low | 98 Ų | 98 | 103.8 Ų | 103.8 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -101 | 128.2 | -173 | -174.1 | 58.2 | 0 | 0 | 0 | 110.5 | S246 D250 | S246-N248 PolarHBondContact O-N 2.89Å; N248-D250 PolarHBondContact ND2-OD2 3.44Å; N248-D250 PolarHBondContact O-N 3.36Å |
| 249 | P | 32.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 106.9 Ų | 106.9 | 60% | 0.597 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 30.8 | -168.2 | 31.1 | -37.8 | 0 | 0 | 0 | 115.7 | R50 | R50-P249 PolarHBondContact NH1-O 3.45Š|
| 250 | D | 36.4 | Very low | 33 | Very low | 83 Ų | 83 | 106.2 Ų | 106.2 | 44% | 0.444 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.6 | 5.4 | -176.9 | -66.5 | -41.9 | 0 | 0 | 0 | 113.9 | R50 N248 L252 | R50-D250 IonicContact CZ-OD1 3.61Å; R50-D250 IonicContact NH1-OD1 2.79Å; R50-D250 PolarHBondContact NH1-OD1 2.88Å; R50-D250 IonicContact NH2-OD1 3.41Å; N248-D250 PolarHBondContact ND2-OD2 3.44Å; N248-D250 PolarHBondContact O-N 3.36Å; D250-L252 PolarHBondContact O-N 3.09Å |
| 251 | T | 37.9 | Very low | 33.3 | Very low | 130 Ų | 130 | 105 Ų | 105 | 80% | 0.798 | 58% | 0.583 | S | S | * | * | trans | -71.8 | 96.5 | -174 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 252 | L | 47.3 | Very low | 33.3 | Very low | 22 Ų | 22 | 100 Ų | 100 | 12% | 0.115 | 56% | 0.56 | C | S | . | * | trans | -56.7 | 152.3 | 171.4 | -73.7 | 103.4 | 0 | 0 | 0 | 112.8 | F52 H93 V124 D250 N254 | F52-L252 HydrophobicContact CD1-CD2 3.89Å; F52-L252 HydrophobicContact CE1-CD2 3.42Å; F52-L252 VanDerWaalsContact CE1-CD2 3.42Å; F52-L252 HydrophobicContact CE1-CG 3.85Å; F52-L252 HydrophobicContact CE2-CB 4.48Å; F52-L252 HydrophobicContact CE2-CD2 4.29Å; F52-L252 HydrophobicContact CE2-CG 3.91Å; F52-L252 HydrophobicContact CG-CD2 4.49Å; F52-L252 HydrophobicContact CZ-CD1 4.4Å; F52-L252 HydrophobicContact CZ-CD2 3.67Å; F52-L252 HydrophobicContact CZ-CG 3.51Å; H93-L252 VanDerWaalsContact ND1-CD1 3.25Å; H93-L252 WeakPolarHBondContact ND1-CD1 3.41Å; V124-L252 HydrophobicContact CG2-CD2 3.84Å; D250-L252 PolarHBondContact O-N 3.09Å; L252-N254 PolarHBondContact O-N 3.17Å; L252-N254 PolarHBondContact O-OD1 3.09Å | ||
| 253 | P | 40.4 | Very low | 33.8 | Very low | 68 Ų | 68 | 94.4 Ų | 94.4 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | trans | -58.2 | 126.8 | 173.5 | 23.9 | -33.8 | 0 | 0 | 0 | 111.3 | F52 K122 S255 | F52-P253 HydrophobicContact CB-CG 4.3Å; F52-P253 HydrophobicContact CD2-CG 4.37Å; K122-P253 PolarHBondContact NZ-O 3Å; P253-S255 PolarHBondContact O-N 2.91Å | ||
| 254 | N | 37.8 | Very low | 34.2 | Very low | 142 Ų | 142 | 93.4 Ų | 93.4 | 76% | 0.759 | 54% | 0.539 | S | S | * | . | trans | -79 | 62.6 | -175.6 | -81.1 | -12.3 | 0 | 0 | 0 | 113.3 | L252 | L252-N254 PolarHBondContact O-N 3.17Å; L252-N254 PolarHBondContact O-OD1 3.09Å | ||
| 255 | S | 40 | Very low | 35.1 | Very low | 72 Ų | 72 | 94.5 Ų | 94.5 | 50% | 0.503 | 53% | 0.531 | S | S | . | . | trans | -111.3 | 104.8 | 157 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | K122 P253 | K122-S255 WeakPolarHBondContact CE-O 3.36Å; P253-S255 PolarHBondContact O-N 2.91Å | ||
| 256 | S | 37.6 | Very low | 35.9 | Very low | 46 Ų | 46 | 90.5 Ų | 90.5 | 32% | 0.322 | 51% | 0.513 | S | S | . | . | trans | -127.1 | 92.3 | 166.2 | -179.8 | 0 | 0 | 0 | 0 | 104.8 | E120 T258 | E120-S256 PolarHBondContact OE1-OG 3.4Å; S256-T258 PolarHBondContact O-N 3.22Å; S256-T258 PolarHBondContact OG-OG1 3.1Å | ||
| 257 | F | 34.2 | Very low | 36.9 | Very low | 80 Ų | 80 | 87.7 Ų | 87.7 | 35% | 0.351 | 50% | 0.495 | S | S | . | . | trans | -89.5 | 63.1 | -171.2 | -157 | -88.9 | 0 | 0 | 0 | 110.7 | L23 I261 | L23-F257 HydrophobicContact CD1-CD1 3.66Å; L23-F257 HydrophobicContact CD1-CE1 3.48Å; L23-F257 VanDerWaalsContact CD1-CE1 3.48Å; L23-F257 HydrophobicContact CD1-CZ 4.44Å; L23-F257 HydrophobicContact CD2-CE1 4.48Å; L23-F257 HydrophobicContact CG-CD1 4.27Å; L23-F257 HydrophobicContact CG-CE1 3.84Å; F257-I261 HydrophobicContact CE1-CG1 3.8Å; F257-I261 HydrophobicContact CZ-CB 4.23Å; F257-I261 HydrophobicContact CZ-CG1 3.86Å; F257-I261 HydrophobicContact CZ-CG2 4.23Å | ||
| 258 | T | 32.4 | Very low | 38 | Very low | 17 Ų | 17 | 87.1 Ų | 87.1 | 10% | 0.104 | 48% | 0.483 | C | S | . | . | trans | -136.9 | 24.8 | -172.8 | 32.4 | 0 | 0 | 0 | 0 | 114.5 | R22 E120 S256 | R22-T258 VanDerWaalsContact NH1-C 3.27Å; R22-T258 PolarHBondContact NH1-O 3.24Å; R22-T258 PolarHBondContact NH2-O 3.32Å; E120-T258 WeakPolarHBondContact OE1-CA 3.42Å; E120-T258 VanDerWaalsContact OE1-CB 3.31Å; E120-T258 WeakPolarHBondContact OE1-CB 3.45Å; E120-T258 PolarHBondContact OE1-N 3.1Å; E120-T258 PolarHBondContact OE1-OG1 3.09Å; S256-T258 PolarHBondContact O-N 3.22Å; S256-T258 PolarHBondContact OG-OG1 3.1Å | ||
| 259 | R | 32.3 | Very low | 39.2 | Very low | 197 Ų | 197 | 87.9 Ų | 87.9 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -155.1 | 122.4 | 155.7 | -116.5 | 171.8 | -171 | -99.6 | -4.7 | 113 | ||
| 260 | T | 29.4 | Very low | 40.3 | Very low | 122 Ų | 122 | 87.1 Ų | 87.1 | 75% | 0.748 | 47% | 0.472 | S | S | * | . | trans | 54.8 | 119.8 | 174.6 | 36.5 | 0 | 0 | 0 | 0 | 116.8 | S262 | T260-S262 VanDerWaalsContact C-N 3.3Å; T260-S262 PolarHBondContact O-N 2.83Å | ||
| 261 | I | 31.7 | Very low | 41.3 | Very low | 111 Ų | 111 | 89.2 Ų | 89.2 | 57% | 0.569 | 48% | 0.477 | S | S | * | . | trans | -72 | 84.4 | 171.2 | -55.9 | 155 | 0 | 0 | 0 | 109.2 | L23 F257 | L23-I261 HydrophobicContact CD2-CD1 3.56Å; L23-I261 HydrophobicContact CD2-CG1 4.08Å; L23-I261 HydrophobicContact CG-CD1 4.27Å; L23-I261 HydrophobicContact CG-CG1 4.48Å; F257-I261 HydrophobicContact CE1-CG1 3.8Å; F257-I261 HydrophobicContact CZ-CB 4.23Å; F257-I261 HydrophobicContact CZ-CG1 3.86Å; F257-I261 HydrophobicContact CZ-CG2 4.23Å | ||
| 262 | S | 30.2 | Very low | 42 | Very low | 47 Ų | 47 | 91 Ų | 91 | 33% | 0.329 | 47% | 0.469 | S | S | . | . | trans | -77.6 | 122 | 137.5 | 55.3 | 0 | 0 | 0 | 0 | 106.4 | T260 | T260-S262 VanDerWaalsContact C-N 3.3Å; T260-S262 PolarHBondContact O-N 2.83Å | ||
| 263 | D | 38.1 | Very low | 42.9 | Very low | 69 Ų | 69 | 94.5 Ų | 94.5 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | trans | -45.9 | 140.4 | 177.6 | 123.2 | 63.6 | 0 | 0 | 0 | 110.6 | E265 T266 A267 | D263-E265 PolarHBondContact O-N 2.81Å; D263-E265 WeakPolarHBondContact OD1-CB 3.05Å; D263-E265 PolarHBondContact OD1-N 3.09Å; D263-T266 CarbonylContact O-C 3.56Å; D263-T266 WeakPolarHBondContact O-CA 3.28Å; D263-T266 WeakPolarHBondContact O-CB 3.49Å; D263-T266 PolarHBondContact O-N 3.35Å; D263-T266 VanDerWaalsContact O-N 3.09Å; D263-T266 WeakPolarHBondContact OD2-CA 3.3Å; D263-T266 WeakPolarHBondContact OD2-CB 3.41Å; D263-T266 PolarHBondContact OD2-N 3.44Å; D263-T266 PolarHBondContact OD2-OG1 3.19Å; D263-A267 WeakPolarHBondContact O-CB 3.46Å; D263-A267 PolarHBondContact O-N 2.8Å | ||
| 264 | P | 39.3 | Very low | 44 | Very low | 90 Ų | 90 | 98.7 Ų | 98.7 | 58% | 0.584 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.1 | -29.9 | -173.9 | 24.9 | -35.2 | 0 | 0 | 0 | 114.1 | M268 | P264-M268 WeakPolarHBondContact O-CB 3.45Å; P264-M268 PolarHBondContact O-N 3.29Å |
| 265 | E | 43.9 | Very low | 45.1 | Very low | 142 Ų | 142 | 95.9 Ų | 95.9 | 66% | 0.664 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -71 | -51.4 | 171.6 | -176.1 | 154.1 | -148.9 | 0 | 0 | 110.5 | D263 A267 M268 Q269 | D263-E265 PolarHBondContact O-N 2.81Å; D263-E265 WeakPolarHBondContact OD1-CB 3.05Å; D263-E265 PolarHBondContact OD1-N 3.09Å; E265-A267 PolarHBondContact O-N 3.09Å; E265-M268 CarbonylContact O-C 3.54Å; E265-M268 PolarHBondContact O-N 3.26Å; E265-Q269 WeakPolarHBondContact O-CB 3.43Å; E265-Q269 PolarHBondContact O-N 2.93Å |
| 266 | T | 47.4 | Very low | 45.9 | Very low | 51 Ų | 51 | 96.4 Ų | 96.4 | 31% | 0.313 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -54.9 | -32.4 | 170.7 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | D263 Q270 | D263-T266 CarbonylContact O-C 3.56Å; D263-T266 WeakPolarHBondContact O-CA 3.28Å; D263-T266 WeakPolarHBondContact O-CB 3.49Å; D263-T266 PolarHBondContact O-N 3.35Å; D263-T266 VanDerWaalsContact O-N 3.09Å; D263-T266 WeakPolarHBondContact OD2-CA 3.3Å; D263-T266 WeakPolarHBondContact OD2-CB 3.41Å; D263-T266 PolarHBondContact OD2-N 3.44Å; D263-T266 PolarHBondContact OD2-OG1 3.19Å; T266-Q270 HydrophobicContact CG2-CG 4.45Å; T266-Q270 VanDerWaalsContact O-CB 3.29Å; T266-Q270 WeakPolarHBondContact O-CB 3.28Å; T266-Q270 VanDerWaalsContact O-CG 3.32Å; T266-Q270 WeakPolarHBondContact O-CG 3.42Å; T266-Q270 PolarHBondContact O-N 3.37Å |
| 267 | A | 47 | Very low | 47 | Very low | 34 Ų | 34 | 98.6 Ų | 98.6 | 28% | 0.281 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -77.4 | -42.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D263 E265 Q269 Q270 K271 | D263-A267 WeakPolarHBondContact O-CB 3.46Å; D263-A267 PolarHBondContact O-N 2.8Å; E265-A267 PolarHBondContact O-N 3.09Å; A267-Q269 VanDerWaalsContact C-N 3.31Å; A267-Q270 PolarHBondContact O-N 2.99Å; A267-K271 WeakPolarHBondContact O-CB 3.39Å; A267-K271 PolarHBondContact O-N 3.33Å |
| 268 | M | 51.2 | Low | 48.3 | Very low | 117 Ų | 117 | 97.4 Ų | 97.4 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66 | -35.2 | 168.9 | -80.1 | -136.8 | -71.6 | 0 | 0 | 111.8 | P264 E265 K271 R272 | P264-M268 WeakPolarHBondContact O-CB 3.45Å; P264-M268 PolarHBondContact O-N 3.29Å; E265-M268 CarbonylContact O-C 3.54Å; E265-M268 PolarHBondContact O-N 3.26Å; M268-K271 PolarHBondContact O-N 2.95Å; M268-R272 WeakPolarHBondContact O-CB 3.3Å; M268-R272 VanDerWaalsContact O-CG 3.26Å; M268-R272 WeakPolarHBondContact O-CG 3.39Å; M268-R272 PolarHBondContact O-N 3.08Å |
| 269 | Q | 55.2 | Low | 49.3 | Very low | 113 Ų | 113 | 99.7 Ų | 99.7 | 53% | 0.528 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.3 | -46.7 | 174.7 | -166.8 | 175 | 19.5 | 0 | 0 | 110.1 | E265 A267 K271 R272 Q273 | E265-Q269 WeakPolarHBondContact O-CB 3.43Å; E265-Q269 PolarHBondContact O-N 2.93Å; A267-Q269 VanDerWaalsContact C-N 3.31Å; Q269-K271 VanDerWaalsContact C-N 3.31Å; Q269-K271 PolarHBondContact O-N 3.4Å; Q269-R272 CarbonylContact O-C 3.57Å; Q269-R272 PolarHBondContact O-N 3.4Å; Q269-Q273 WeakPolarHBondContact O-CA 3.26Å; Q269-Q273 WeakPolarHBondContact O-CB 3.1Å; Q269-Q273 PolarHBondContact O-N 3.44Å |
| 270 | Q | 56.2 | Low | 50.2 | Low | 77 Ų | 77 | 95.5 Ų | 95.5 | 36% | 0.36 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.3 | -32.7 | 172.2 | -80.5 | -173.7 | 37.5 | 0 | 0 | 112.8 | T266 A267 R274 | T266-Q270 HydrophobicContact CG2-CG 4.45Å; T266-Q270 VanDerWaalsContact O-CB 3.29Å; T266-Q270 WeakPolarHBondContact O-CB 3.28Å; T266-Q270 VanDerWaalsContact O-CG 3.32Å; T266-Q270 WeakPolarHBondContact O-CG 3.42Å; T266-Q270 PolarHBondContact O-N 3.37Å; A267-Q270 PolarHBondContact O-N 2.99Å; Q270-R274 WeakPolarHBondContact O-CB 3.49Å; Q270-R274 VanDerWaalsContact O-CG 3.32Å; Q270-R274 WeakPolarHBondContact O-CG 3.23Å; Q270-R274 PolarHBondContact O-N 2.91Å |
| 271 | K | 57.6 | Low | 51.5 | Low | 127 Ų | 127 | 95.1 Ų | 95.1 | 55% | 0.552 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -71.4 | -42.5 | 174.5 | -170.2 | -179.3 | 178.7 | -171.7 | 0 | 111.4 | A267 M268 Q269 T275 | A267-K271 WeakPolarHBondContact O-CB 3.39Å; A267-K271 PolarHBondContact O-N 3.33Å; M268-K271 PolarHBondContact O-N 2.95Å; Q269-K271 VanDerWaalsContact C-N 3.31Å; Q269-K271 PolarHBondContact O-N 3.4Å; K271-T275 WeakPolarHBondContact O-CB 3.32Å; K271-T275 PolarHBondContact O-N 2.85Å; K271-T275 PolarHBondContact O-OG1 3.42Å |
| 272 | R | 52.7 | Low | 52.8 | Low | 166 Ų | 166 | 96.1 Ų | 96.1 | 63% | 0.626 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.3 | -47.6 | 170.6 | -75.6 | 170 | 176 | 173.9 | -0.3 | 110.3 | M268 Q269 T275 L276 | M268-R272 WeakPolarHBondContact O-CB 3.3Å; M268-R272 VanDerWaalsContact O-CG 3.26Å; M268-R272 WeakPolarHBondContact O-CG 3.39Å; M268-R272 PolarHBondContact O-N 3.08Å; Q269-R272 CarbonylContact O-C 3.57Å; Q269-R272 PolarHBondContact O-N 3.4Å; R272-T275 PolarHBondContact O-N 3.36Å; R272-L276 WeakPolarHBondContact O-CB 3.39Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.47Å; R272-L276 PolarHBondContact O-N 2.91Å |
| 273 | Q | 65.5 | Low | 53.8 | Low | 97 Ų | 97 | 96.2 Ų | 96.2 | 45% | 0.453 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -56.6 | -55.2 | 177.1 | -165.3 | 81.8 | 16.8 | 0 | 0 | 110.5 | Q269 T275 L276 E277 | Q269-Q273 WeakPolarHBondContact O-CA 3.26Å; Q269-Q273 WeakPolarHBondContact O-CB 3.1Å; Q269-Q273 PolarHBondContact O-N 3.44Å; Q273-T275 VanDerWaalsContact C-N 3.3Å; Q273-T275 PolarHBondContact O-N 3.46Å; Q273-L276 CarbonylContact O-C 3.56Å; Q273-L276 WeakPolarHBondContact O-CB 3.46Å; Q273-L276 PolarHBondContact O-N 3.33Å; Q273-L276 VanDerWaalsContact O-N 3.16Å; Q273-E277 HydrophobicContact CG-CG 4.39Å; Q273-E277 VanDerWaalsContact CG-OE1 3.24Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.43Å; Q273-E277 PolarHBondContact NE2-OE1 3.35Å; Q273-E277 WeakPolarHBondContact O-CB 3.44Å; Q273-E277 VanDerWaalsContact O-CG 3.24Å; Q273-E277 WeakPolarHBondContact O-CG 3.38Å; Q273-E277 PolarHBondContact O-N 3.27Å |
| 274 | R | 64.3 | Low | 54.2 | Low | 156 Ų | 156 | 98 Ų | 98 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.9 | -30.7 | 177.5 | -72.7 | 179.1 | -170.3 | 137.3 | 15.8 | 113.7 | Q270 A278 | Q270-R274 WeakPolarHBondContact O-CB 3.49Å; Q270-R274 VanDerWaalsContact O-CG 3.32Å; Q270-R274 WeakPolarHBondContact O-CG 3.23Å; Q270-R274 PolarHBondContact O-N 2.91Å; R274-A278 WeakPolarHBondContact O-CB 2.99Å; R274-A278 PolarHBondContact O-N 3.09Å |
| 275 | T | 61.2 | Low | 54.7 | Low | 83 Ų | 83 | 99.7 Ų | 99.7 | 51% | 0.509 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -73 | -39 | 175.1 | -53.3 | 0 | 0 | 0 | 0 | 111.1 | K271 R272 Q273 K279 | K271-T275 WeakPolarHBondContact O-CB 3.32Å; K271-T275 PolarHBondContact O-N 2.85Å; K271-T275 PolarHBondContact O-OG1 3.42Å; R272-T275 PolarHBondContact O-N 3.36Å; Q273-T275 VanDerWaalsContact C-N 3.3Å; Q273-T275 PolarHBondContact O-N 3.46Å; T275-K279 PolarHBondContact O-N 2.98Å; T275-K279 VanDerWaalsContact O-N 3.12Å |
| 276 | L | 56.8 | Low | 54.8 | Low | 83 Ų | 83 | 98.2 Ų | 98.2 | 44% | 0.435 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.4 | -51.4 | 171.8 | -72.3 | 166.4 | 0 | 0 | 0 | 110.2 | R272 Q273 A278 K279 F280 L312 | R272-L276 WeakPolarHBondContact O-CB 3.39Å; R272-L276 VanDerWaalsContact O-CG 3.27Å; R272-L276 WeakPolarHBondContact O-CG 3.47Å; R272-L276 PolarHBondContact O-N 2.91Å; Q273-L276 CarbonylContact O-C 3.56Å; Q273-L276 WeakPolarHBondContact O-CB 3.46Å; Q273-L276 PolarHBondContact O-N 3.33Å; Q273-L276 VanDerWaalsContact O-N 3.16Å; L276-A278 VanDerWaalsContact C-N 3.3Å; L276-A278 PolarHBondContact O-N 2.89Å; L276-K279 CarbonylContact O-C 3.58Å; L276-K279 PolarHBondContact O-N 3.09Å; L276-F280 VanDerWaalsContact O-CB 3.23Å; L276-F280 WeakPolarHBondContact O-CB 3.41Å; L276-F280 PolarHBondContact O-N 3.15Å; L276-L312 HydrophobicContact CD2-CD1 4.39Å |
| 277 | E | 59.9 | Low | 54.2 | Low | 91 Ų | 91 | 103.4 Ų | 103.4 | 43% | 0.425 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.9 | -37.5 | 176 | -72.4 | 165.2 | 171.9 | 0 | 0 | 112.2 | Q273 F280 M281 | Q273-E277 HydrophobicContact CG-CG 4.39Å; Q273-E277 VanDerWaalsContact CG-OE1 3.24Å; Q273-E277 WeakPolarHBondContact CG-OE1 3.43Å; Q273-E277 PolarHBondContact NE2-OE1 3.35Å; Q273-E277 WeakPolarHBondContact O-CB 3.44Å; Q273-E277 VanDerWaalsContact O-CG 3.24Å; Q273-E277 WeakPolarHBondContact O-CG 3.38Å; Q273-E277 PolarHBondContact O-N 3.27Å; E277-F280 PolarHBondContact O-N 3.01Å; E277-M281 VanDerWaalsContact O-CB 3.3Å; E277-M281 WeakPolarHBondContact O-CB 3.28Å; E277-M281 WeakPolarHBondContact O-CG 3.44Å; E277-M281 PolarHBondContact O-N 3.49Å |
| 278 | A | 63 | Low | 53.9 | Low | 56 Ų | 56 | 108.7 Ų | 108.7 | 46% | 0.463 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -45.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R274 L276 F280 M281 Q282 | R274-A278 WeakPolarHBondContact O-CB 2.99Å; R274-A278 PolarHBondContact O-N 3.09Å; L276-A278 VanDerWaalsContact C-N 3.3Å; L276-A278 PolarHBondContact O-N 2.89Å; A278-F280 VanDerWaalsContact C-N 3.31Å; A278-F280 PolarHBondContact O-N 3.3Å; A278-M281 PolarHBondContact O-N 3.18Å; A278-Q282 WeakPolarHBondContact O-CG 3.16Å; A278-Q282 PolarHBondContact O-N 3.09Å |
| 279 | K | 53.2 | Low | 53.2 | Low | 65 Ų | 65 | 110.8 Ų | 110.8 | 28% | 0.283 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.5 | -31.4 | 172.5 | -73.3 | -151.1 | 175.3 | -159.1 | 0 | 111.9 | T275 L276 Q282 M283 L312 E325 | T275-K279 PolarHBondContact O-N 2.98Å; T275-K279 VanDerWaalsContact O-N 3.12Å; L276-K279 CarbonylContact O-C 3.58Å; L276-K279 PolarHBondContact O-N 3.09Å; K279-Q282 WeakPolarHBondContact O-CB 3.47Å; K279-Q282 PolarHBondContact O-N 2.72Å; K279-M283 WeakPolarHBondContact O-CG 3.42Å; K279-M283 PolarHBondContact O-N 3.22Å; K279-L312 HydrophobicContact CB-CD2 3.61Å; K279-L312 HydrophobicContact CD-CD2 4.49Å; K279-E325 IonicContact NZ-OE2 3.73Å; K279-E325 PolarHBondContact NZ-OE2 3.33Å |
| 280 | F | 50.2 | Low | 52.9 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 48% | 0.478 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -70.6 | -34.9 | 175.4 | -152.9 | -94.1 | 0 | 0 | 0 | 111.5 | L276 E277 A278 M283 L284 | L276-F280 VanDerWaalsContact O-CB 3.23Å; L276-F280 WeakPolarHBondContact O-CB 3.41Å; L276-F280 PolarHBondContact O-N 3.15Å; E277-F280 PolarHBondContact O-N 3.01Å; A278-F280 VanDerWaalsContact C-N 3.31Å; A278-F280 PolarHBondContact O-N 3.3Å; F280-M283 HydrophobicContact CD2-CE 3.63Å; F280-M283 HydrophobicContact CD2-SD 4.49Å; F280-M283 HydrophobicContact CE2-CE 3.85Å; F280-M283 HydrophobicContact CG-CE 4.32Å; F280-M283 CarbonylContact O-C 3.45Å; F280-M283 WeakPolarHBondContact O-CB 3.25Å; F280-M283 PolarHBondContact O-N 3.06Å; F280-L284 HydrophobicContact CD1-CD1 3.78Å; F280-L284 HydrophobicContact CD1-CG 4.26Å; F280-L284 HydrophobicContact CE1-CD1 4.12Å; F280-L284 HydrophobicContact CE1-CG 4.49Å; F280-L284 WeakPolarHBondContact O-CB 3.36Å; F280-L284 VanDerWaalsContact O-CG 3.24Å; F280-L284 WeakPolarHBondContact O-CG 3.14Å; F280-L284 PolarHBondContact O-N 3.4Å |
| 281 | M | 56.7 | Low | 53 | Low | 113 Ų | 113 | 108.1 Ų | 108.1 | 56% | 0.557 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.2 | -35.6 | 170.2 | -76 | -70.5 | -179.9 | 0 | 0 | 111.9 | E277 A278 M283 L284 H285 | E277-M281 VanDerWaalsContact O-CB 3.3Å; E277-M281 WeakPolarHBondContact O-CB 3.28Å; E277-M281 WeakPolarHBondContact O-CG 3.44Å; E277-M281 PolarHBondContact O-N 3.49Å; A278-M281 PolarHBondContact O-N 3.18Å; M281-M283 VanDerWaalsContact C-N 3.35Å; M281-L284 PolarHBondContact O-N 3.22Å; M281-L284 HydrophobicContact SD-CD1 4.11Å; M281-H285 WeakPolarHBondContact O-CB 3.22Å; M281-H285 PolarHBondContact O-CD2 3.29Å; M281-H285 VanDerWaalsContact O-CD2 3.3Å; M281-H285 PolarHBondContact O-N 3.16Å |
| 282 | Q | 59.2 | Low | 53.2 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 62% | 0.621 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.1 | -42.3 | 168.6 | -73.1 | 178 | -42.5 | 0 | 0 | 111.5 | A278 K279 L284 H285 | A278-Q282 WeakPolarHBondContact O-CG 3.16Å; A278-Q282 PolarHBondContact O-N 3.09Å; K279-Q282 WeakPolarHBondContact O-CB 3.47Å; K279-Q282 PolarHBondContact O-N 2.72Å; Q282-L284 VanDerWaalsContact C-N 3.31Å; Q282-L284 PolarHBondContact O-N 2.91Å; Q282-H285 PolarHBondContact O-N 2.84Å |
| 283 | M | 50.5 | Low | 54.2 | Low | 49 Ų | 49 | 96.4 Ų | 96.4 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -63.6 | -31.8 | 172.4 | -71.8 | 161.3 | 36.3 | 0 | 0 | 113.3 | K279 F280 M281 L312 | K279-M283 WeakPolarHBondContact O-CG 3.42Å; K279-M283 PolarHBondContact O-N 3.22Å; F280-M283 HydrophobicContact CD2-CE 3.63Å; F280-M283 HydrophobicContact CD2-SD 4.49Å; F280-M283 HydrophobicContact CE2-CE 3.85Å; F280-M283 HydrophobicContact CG-CE 4.32Å; F280-M283 CarbonylContact O-C 3.45Å; F280-M283 WeakPolarHBondContact O-CB 3.25Å; F280-M283 PolarHBondContact O-N 3.06Å; M281-M283 VanDerWaalsContact C-N 3.35Å; M283-L312 HydrophobicContact SD-CD2 3.71Å; M283-L312 HydrophobicContact SD-CG 4.16Å |
| 284 | L | 48.2 | Very low | 54.8 | Low | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -81.9 | -13.5 | 176.5 | -73.3 | 166.4 | 0 | 0 | 0 | 113.9 | F280 M281 Q282 | F280-L284 HydrophobicContact CD1-CD1 3.78Å; F280-L284 HydrophobicContact CD1-CG 4.26Å; F280-L284 HydrophobicContact CE1-CD1 4.12Å; F280-L284 HydrophobicContact CE1-CG 4.49Å; F280-L284 WeakPolarHBondContact O-CB 3.36Å; F280-L284 VanDerWaalsContact O-CG 3.24Å; F280-L284 WeakPolarHBondContact O-CG 3.14Å; F280-L284 PolarHBondContact O-N 3.4Å; M281-L284 PolarHBondContact O-N 3.22Å; M281-L284 HydrophobicContact SD-CD1 4.11Å; Q282-L284 VanDerWaalsContact C-N 3.31Å; Q282-L284 PolarHBondContact O-N 2.91Å |
| 285 | H | 49.9 | Very low | 55.6 | Low | 125 Ų | 125 | 90.4 Ų | 90.4 | 58% | 0.579 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -0.5 | -179.8 | -96.2 | -64.6 | 0 | 0 | 0 | 114.4 | M281 Q282 | M281-H285 WeakPolarHBondContact O-CB 3.22Å; M281-H285 PolarHBondContact O-CD2 3.29Å; M281-H285 VanDerWaalsContact O-CD2 3.3Å; M281-H285 PolarHBondContact O-N 3.16Å; Q282-H285 PolarHBondContact O-N 2.84Å |
| 286 | H | 44.2 | Very low | 56.8 | Low | 111 Ų | 111 | 92 Ų | 92 | 51% | 0.514 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -102.3 | 122.1 | 160 | -79.4 | -86.7 | 0 | 0 | 0 | 108.8 | N288 | H286-N288 PolarHBondContact O-N 2.75Š|
| 287 | D | 35.8 | Very low | 58.4 | Low | 161 Ų | 161 | 88 Ų | 88 | 86% | 0.861 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -71.7 | 70.5 | -176.1 | -74.4 | -58.5 | 0 | 0 | 0 | 112.8 | ||
| 288 | N | 40.8 | Very low | 59.7 | Low | 145 Ų | 145 | 87.4 Ų | 87.4 | 78% | 0.775 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -148.8 | 151 | 161.4 | -122 | -28.4 | 0 | 0 | 0 | 112.5 | H286 G290 | H286-N288 PolarHBondContact O-N 2.75Å; N288-G290 PolarHBondContact O-N 2.93Å |
| 289 | I | 37.3 | Very low | 60.7 | Low | 160 Ų | 160 | 84.7 Ų | 84.7 | 82% | 0.821 | 45% | 0.451 | S | S | * | . | trans | -89.3 | 106.5 | -151 | -59.6 | 171.6 | 0 | 0 | 0 | 113.3 | ||||
| 290 | G | 48.4 | Very low | 61.7 | Low | 79 Ų | 79 | 83.2 Ų | 83.2 | 81% | 0.814 | 45% | 0.454 | S | S | * | . | S | Bend | trans | 87 | 24 | 139.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | N288 | N288-G290 PolarHBondContact O-N 2.93Š|
| 291 | S | 58.3 | Low | 62.9 | Low | 55 Ų | 55 | 84 Ų | 84 | 39% | 0.385 | 46% | 0.459 | S | S | . | . | trans | -139.4 | 72.1 | -167.9 | 50.2 | 0 | 0 | 0 | 0 | 115.1 | I315 | S291-I315 VanDerWaalsContact CB-CD1 3.44Å; S291-I315 PolarHBondContact O-N 3.23Å; S291-I315 VanDerWaalsContact OG-CD1 3.26Å; S291-I315 WeakPolarHBondContact OG-CD1 3.26Å | ||
| 292 | G | 62.3 | Low | 63.8 | Low | 27 Ų | 27 | 81.1 Ų | 81.1 | 28% | 0.278 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 138 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | I313 | G292-I313 CarbonylContact C-O 3.57Å; G292-I313 WeakPolarHBondContact CA-O 3.15Å |
| 293 | G | 73.5 | Confident | 64.6 | Low | 21 Ų | 21 | 77.6 Ų | 77.6 | 22% | 0.216 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 165.3 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | L312 I313 | G293-L312 WeakPolarHBondContact O-CA 3.21Å; G293-I313 PolarHBondContact N-O 3.49Å; G293-I313 PolarHBondContact O-N 3.09Å |
| 294 | T | 78 | Confident | 65.6 | Low | 97 Ų | 97 | 80.5 Ų | 80.5 | 60% | 0.595 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.4 | 169.7 | -61.8 | 0 | 0 | 0 | 0 | 108.8 | T310 L311 L312 | T294-T310 HydrophobicContact CG2-CG2 3.25Å; T294-L311 CarbonylContact C-O 3.57Å; T294-L311 WeakPolarHBondContact CA-O 3.28Å; T294-L312 WeakPolarHBondContact OG1-CD1 3.25Å |
| 295 | L | 80.6 | Confident | 66.5 | Low | 29 Ų | 29 | 84.3 Ų | 84.3 | 15% | 0.152 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 142.3 | -177.5 | -158.7 | 63.1 | 0 | 0 | 0 | 111 | I297 T310 L311 I313 F402 | L295-I297 HydrophobicContact CD2-CD1 3.84Å; L295-I297 HydrophobicContact CG-CD1 4.12Å; L295-T310 WeakPolarHBondContact O-CA 3.38Å; L295-L311 PolarHBondContact N-O 3.37Å; L295-L311 PolarHBondContact O-N 3Å; L295-I313 HydrophobicContact CB-CD1 3.56Å; L295-I313 HydrophobicContact CB-CG1 4.26Å; L295-I313 HydrophobicContact CD2-CD1 3.7Å; L295-I313 HydrophobicContact CG-CD1 4.25Å; L295-F402 HydrophobicContact CD1-CD2 3.8Å; L295-F402 HydrophobicContact CD1-CE2 3.81Å; L295-F402 HydrophobicContact CD2-CD2 3.83Å; L295-F402 HydrophobicContact CD2-CE2 4.07Å; L295-F402 HydrophobicContact CD2-CG 4.09Å; L295-F402 HydrophobicContact CG-CD2 4.04Å; L295-F402 HydrophobicContact CG-CE2 4.42Å |
| 296 | R | 85.8 | Confident | 67.7 | Low | 117 Ų | 117 | 81.8 Ų | 81.8 | 44% | 0.442 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 117.4 | 171.5 | -67.7 | -178.8 | 179.3 | 174.4 | 0.3 | 109 | Y298 Y308 | R296-Y298 HydrophobicContact CB-CD2 4.46Å; R296-Y298 HydrophobicContact CB-CE2 3.88Å; R296-Y308 HydrophobicContact CB-CD2 3.91Å; R296-Y308 HydrophobicContact CB-CE2 4.48Å; R296-Y308 HydrophobicContact CB-CG 4.41Å; R296-Y308 VanDerWaalsContact CD-CE2 3.48Å; R296-Y308 HydrophobicContact CG-CD2 3.69Å; R296-Y308 HydrophobicContact CG-CE2 3.78Å |
| 297 | I | 89.7 | Confident | 68.9 | Low | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.3 | 171.5 | -49.5 | -53.7 | 0 | 0 | 0 | 107.4 | L295 Y308 K309 L311 I322 L342 F402 L404 | L295-I297 HydrophobicContact CD2-CD1 3.84Å; L295-I297 HydrophobicContact CG-CD1 4.12Å; I297-Y308 CarbonylContact O-C 3.44Å; I297-Y308 WeakPolarHBondContact O-CA 3.38Å; I297-Y308 WeakPolarHBondContact O-CB 3.32Å; I297-K309 PolarHBondContact N-O 3.5Å; I297-K309 PolarHBondContact O-N 3.43Å; I297-L311 HydrophobicContact CG1-CD1 3.87Å; I297-L311 HydrophobicContact CG1-CG 4.24Å; I297-I322 HydrophobicContact CD1-CG2 3.94Å; I297-I322 HydrophobicContact CG1-CG2 4.26Å; I297-L342 HydrophobicContact CD1-CD1 4.25Å; I297-L342 HydrophobicContact CG2-CD1 3.8Å; I297-F402 HydrophobicContact CD1-CB 3.93Å; I297-L404 HydrophobicContact CG2-CB 3.9Å |
| 298 | Y | 87.3 | Confident | 71.4 | Confident | 77 Ų | 77 | 76.2 Ų | 76.2 | 30% | 0.302 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 130.9 | 178.8 | -71 | -100.3 | 0 | 0 | 0 | 109.6 | R296 P307 Y308 T401 F402 E403 L404 | R296-Y298 HydrophobicContact CB-CD2 4.46Å; R296-Y298 HydrophobicContact CB-CE2 3.88Å; Y298-P307 CarbonylContact C-O 3.38Å; Y298-P307 VanDerWaalsContact CA-O 3.3Å; Y298-P307 WeakPolarHBondContact CA-O 3.14Å; Y298-Y308 HydrophobicContact CD1-CD1 4.46Å; Y298-Y308 AromaticContact CE1-CD1 3.98Å; Y298-Y308 HydrophobicContact CE1-CD1 3.98Å; Y298-Y308 HydrophobicContact CE1-CG 4.29Å; Y298-T401 HydrophobicContact CE2-CG2 4.31Å; Y298-F402 PolarHBondContact N-O 3.22Å; Y298-E403 CarbonylContact O-C 3.35Å; Y298-E403 WeakPolarHBondContact O-CA 3.43Å; Y298-L404 PolarHBondContact O-N 3.16Å |
| 299 | G | 84.6 | Confident | 73.5 | Confident | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 40% | 0.401 | C | S | . | . | trans | -128.3 | 14.8 | -176 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q301 L302 F303 P307 Y330 | G299-Q301 PolarHBondContact O-N 3.04Å; G299-L302 PolarHBondContact O-N 3.07Å; G299-F303 PolarHBondContact O-N 3.41Å; G299-P307 PolarHBondContact N-O 3.12Å; G299-Y330 VanDerWaalsContact CA-OH 3.32Å; G299-Y330 WeakPolarHBondContact CA-OH 3.35Å; G299-Y330 PolarHBondContact N-OH 3.01Å | ||
| 300 | G | 74.4 | Confident | 75.8 | Confident | 34 Ų | 34 | 66.7 Ų | 66.7 | 35% | 0.351 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -17.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 301 | Q | 74.6 | Confident | 77.6 | Confident | 125 Ų | 125 | 63.1 Ų | 63.1 | 58% | 0.584 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -26 | 171.2 | -67.7 | -167.3 | -7.2 | 0 | 0 | 113.2 | G299 E403 | G299-Q301 PolarHBondContact O-N 3.04Å; Q301-E403 PolarHBondContact NE2-OE1 2.8Å |
| 302 | L | 77.2 | Confident | 78.8 | Confident | 52 Ų | 52 | 61.6 Ų | 61.6 | 27% | 0.272 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -34.6 | 176.9 | -59.2 | 174.3 | 0 | 0 | 0 | 111.2 | G299 Y340 L404 | G299-L302 PolarHBondContact O-N 3.07Å; L302-Y340 HydrophobicContact CD1-CD1 3.81Å; L302-Y340 HydrophobicContact CD1-CE1 3.68Å; L302-Y340 HydrophobicContact CD2-CE1 3.97Å; L302-Y340 HydrophobicContact CG-CE1 4.49Å; L302-L404 HydrophobicContact CD1-CD2 3.97Å; L302-L404 HydrophobicContact CD1-CG 3.9Å |
| 303 | F | 75.5 | Confident | 79.8 | Confident | 59 Ų | 59 | 60.5 Ų | 60.5 | 26% | 0.259 | 32% | 0.317 | S | S | . | . | trans | -137.3 | 85.9 | -176.7 | -68.8 | -77.8 | 0 | 0 | 0 | 111.2 | G299 E305 I306 Y330 L332 | G299-F303 PolarHBondContact O-N 3.41Å; F303-E305 PolarHBondContact O-N 3.46Å; F303-I306 CarbonylContact O-C 3.57Å; F303-I306 PolarHBondContact O-N 2.79Å; F303-I306 VanDerWaalsContact O-N 3.13Å; F303-Y330 HydrophobicContact CB-CD1 3.79Å; F303-Y330 HydrophobicContact CB-CE1 3.61Å; F303-Y330 HydrophobicContact CD1-CD1 4.4Å; F303-Y330 AromaticContact CD2-CD1 3.23Å; F303-Y330 HydrophobicContact CD2-CD1 3.23Å; F303-Y330 AromaticContact CD2-CE1 3.8Å; F303-Y330 HydrophobicContact CD2-CE1 3.8Å; F303-Y330 AromaticContact CD2-CG 3.68Å; F303-Y330 HydrophobicContact CD2-CG 3.68Å; F303-Y330 AromaticContact CE2-CD1 3.91Å; F303-Y330 HydrophobicContact CE2-CD1 3.91Å; F303-Y330 AromaticContact CE2-CG 3.99Å; F303-Y330 HydrophobicContact CE2-CG 3.99Å; F303-Y330 AromaticContact CG-CD1 3.53Å; F303-Y330 HydrophobicContact CG-CD1 3.53Å; F303-Y330 AromaticContact CG-CE1 3.91Å; F303-Y330 HydrophobicContact CG-CE1 3.91Å; F303-Y330 HydrophobicContact CG-CG 4.41Å; F303-L332 HydrophobicContact CE2-CD1 3.6Å; F303-L332 HydrophobicContact CE2-CG 4Å; F303-L332 HydrophobicContact CZ-CD1 3.62Å; F303-L332 HydrophobicContact CZ-CD2 4.06Å; F303-L332 HydrophobicContact CZ-CG 3.65Å | ||
| 304 | P | 71.3 | Confident | 80.2 | Confident | 111 Ų | 111 | 60.6 Ų | 60.6 | 72% | 0.721 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -32.8 | -178.2 | -27.8 | 36.3 | 0 | 0 | 0 | 114.2 | I306 | P304-I306 PolarHBondContact O-N 3.17Š|
| 305 | E | 66.7 | Low | 80.4 | Confident | 186 Ų | 186 | 58 Ų | 58 | 87% | 0.869 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -22.6 | -179.1 | -60.1 | -173 | 166.1 | 0 | 0 | 114.2 | F303 | F303-E305 PolarHBondContact O-N 3.46Š|
| 306 | I | 75.9 | Confident | 80.4 | Confident | 72 Ų | 72 | 61.7 Ų | 61.7 | 37% | 0.369 | 32% | 0.32 | S | S | . | . | trans | -129.8 | 87.6 | -176.2 | -50 | 176.2 | 0 | 0 | 0 | 109.5 | F303 P304 Y308 K309 Y330 | F303-I306 CarbonylContact O-C 3.57Å; F303-I306 PolarHBondContact O-N 2.79Å; F303-I306 VanDerWaalsContact O-N 3.13Å; P304-I306 PolarHBondContact O-N 3.17Å; I306-Y308 VanDerWaalsContact C-N 3.28Å; I306-Y308 PolarHBondContact O-N 3.14Å; I306-Y308 VanDerWaalsContact O-N 3.13Å; I306-K309 HydrophobicContact CG2-CD 4.2Å; I306-Y330 HydrophobicContact CB-CE1 4.07Å; I306-Y330 HydrophobicContact CG2-CE1 4.26Å; I306-Y330 WeakPolarHBondContact O-CE1 3.43Å; I306-Y330 PolarHBondContact O-OH 3.39Å | ||
| 307 | P | 69 | Low | 80.4 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | trans | -64.2 | -27 | -164.4 | 22.7 | -34.2 | 0 | 0 | 0 | 114.5 | Y298 G299 | Y298-P307 CarbonylContact C-O 3.38Å; Y298-P307 VanDerWaalsContact CA-O 3.3Å; Y298-P307 WeakPolarHBondContact CA-O 3.14Å; G299-P307 PolarHBondContact N-O 3.12Å | ||
| 308 | Y | 88.4 | Confident | 80.4 | Confident | 82 Ų | 82 | 60.1 Ų | 60.1 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 156.8 | 172.2 | 68 | -87.7 | 0 | 0 | 0 | 112.6 | R296 I297 Y298 I306 Y330 | R296-Y308 HydrophobicContact CB-CD2 3.91Å; R296-Y308 HydrophobicContact CB-CE2 4.48Å; R296-Y308 HydrophobicContact CB-CG 4.41Å; R296-Y308 VanDerWaalsContact CD-CE2 3.48Å; R296-Y308 HydrophobicContact CG-CD2 3.69Å; R296-Y308 HydrophobicContact CG-CE2 3.78Å; I297-Y308 CarbonylContact O-C 3.44Å; I297-Y308 WeakPolarHBondContact O-CA 3.38Å; I297-Y308 WeakPolarHBondContact O-CB 3.32Å; Y298-Y308 HydrophobicContact CD1-CD1 4.46Å; Y298-Y308 AromaticContact CE1-CD1 3.98Å; Y298-Y308 HydrophobicContact CE1-CD1 3.98Å; Y298-Y308 HydrophobicContact CE1-CG 4.29Å; I306-Y308 VanDerWaalsContact C-N 3.28Å; I306-Y308 PolarHBondContact O-N 3.14Å; I306-Y308 VanDerWaalsContact O-N 3.13Å; Y308-Y330 VanDerWaalsContact CA-OH 3.3Å; Y308-Y330 WeakPolarHBondContact CA-OH 3.29Å; Y308-Y330 PolarHBondContact N-OH 2.96Å |
| 309 | K | 85.2 | Confident | 80.5 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 20% | 0.2 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 144.5 | 164.1 | -60.4 | -79 | 179.9 | 158.3 | 0 | 109.2 | I297 I306 K329 Y330 | I297-K309 PolarHBondContact N-O 3.5Å; I297-K309 PolarHBondContact O-N 3.43Å; I306-K309 HydrophobicContact CG2-CD 4.2Å; K309-K329 HydrophobicContact CB-CB 4.36Å; K309-K329 HydrophobicContact CD-CB 4.33Å; K309-K329 WeakPolarHBondContact CD-O 3.35Å; K309-K329 WeakPolarHBondContact CE-O 3.45Å; K309-K329 HydrophobicContact CG-CB 4.28Å; K309-K329 PolarHBondContact NZ-O 2.98Å; K309-Y330 HydrophobicContact CB-CD2 4.49Å; K309-Y330 HydrophobicContact CB-CE2 4.04Å; K309-Y330 HydrophobicContact CD-CD1 4.45Å; K309-Y330 HydrophobicContact CD-CE1 4.37Å; K309-Y330 HydrophobicContact CG-CD1 4.13Å; K309-Y330 HydrophobicContact CG-CD2 3.59Å; K309-Y330 HydrophobicContact CG-CE1 3.89Å; K309-Y330 HydrophobicContact CG-CE2 3.31Å; K309-Y330 HydrophobicContact CG-CG 3.99Å; K309-Y330 VanDerWaalsContact CG-CZ 3.47Å |
| 310 | T | 86.1 | Confident | 80.7 | Confident | 58 Ų | 58 | 57.3 Ų | 57.3 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 124.9 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | T294 L295 K329 | T294-T310 HydrophobicContact CG2-CG2 3.25Å; L295-T310 WeakPolarHBondContact O-CA 3.38Å; T310-K329 PolarHBondContact O-NZ 3.25Å |
| 311 | L | 84.9 | Confident | 81.4 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 153.2 | 171.3 | -68 | -176.4 | 0 | 0 | 0 | 110.7 | T294 L295 I297 I313 I322 E325 S326 K329 | T294-L311 CarbonylContact C-O 3.57Å; T294-L311 WeakPolarHBondContact CA-O 3.28Å; L295-L311 PolarHBondContact N-O 3.37Å; L295-L311 PolarHBondContact O-N 3Å; I297-L311 HydrophobicContact CG1-CD1 3.87Å; I297-L311 HydrophobicContact CG1-CG 4.24Å; L311-I313 HydrophobicContact CB-CD1 3.76Å; L311-I313 HydrophobicContact CB-CG1 3.58Å; L311-I313 HydrophobicContact CD1-CD1 4.08Å; L311-I313 HydrophobicContact CD1-CG1 4.46Å; L311-I322 HydrophobicContact CD1-CG2 3.95Å; L311-E325 HydrophobicContact CD1-CB 4.08Å; L311-E325 HydrophobicContact CD2-CB 3.93Å; L311-S326 WeakPolarHBondContact CD1-OG 3.16Å; L311-K329 HydrophobicContact CD2-CD 3.62Å; L311-K329 VanDerWaalsContact CD2-CE 3.45Å; L311-K329 HydrophobicContact CD2-CG 4.28Å |
| 312 | L | 83.7 | Confident | 82.1 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 12% | 0.12 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 124.6 | 163.2 | -165.9 | 79.8 | 0 | 0 | 0 | 105.7 | L276 K279 M283 G293 T294 | L276-L312 HydrophobicContact CD2-CD1 4.39Å; K279-L312 HydrophobicContact CB-CD2 3.61Å; K279-L312 HydrophobicContact CD-CD2 4.49Å; M283-L312 HydrophobicContact SD-CD2 3.71Å; M283-L312 HydrophobicContact SD-CG 4.16Å; G293-L312 WeakPolarHBondContact O-CA 3.21Å; T294-L312 WeakPolarHBondContact OG1-CD1 3.25Å |
| 313 | I | 83.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 132.6 | -162.7 | -55.1 | -173.1 | 0 | 0 | 0 | 108.8 | G292 G293 L295 L311 D317 I322 L370 | G292-I313 CarbonylContact C-O 3.57Å; G292-I313 WeakPolarHBondContact CA-O 3.15Å; G293-I313 PolarHBondContact N-O 3.49Å; G293-I313 PolarHBondContact O-N 3.09Å; L295-I313 HydrophobicContact CB-CD1 3.56Å; L295-I313 HydrophobicContact CB-CG1 4.26Å; L295-I313 HydrophobicContact CD2-CD1 3.7Å; L295-I313 HydrophobicContact CG-CD1 4.25Å; L311-I313 HydrophobicContact CB-CD1 3.76Å; L311-I313 HydrophobicContact CB-CG1 3.58Å; L311-I313 HydrophobicContact CD1-CD1 4.08Å; L311-I313 HydrophobicContact CD1-CG1 4.46Å; I313-D317 VanDerWaalsContact CA-OD2 3.26Å; I313-D317 WeakPolarHBondContact CA-OD2 3.17Å; I313-D317 HydrophobicContact CG2-CB 3.5Å; I313-D317 VanDerWaalsContact CG2-CB 3.5Å; I313-I322 HydrophobicContact CD1-CD1 3.97Å; I313-I322 HydrophobicContact CD1-CG1 4.01Å; I313-I322 HydrophobicContact CD1-CG2 4.23Å; I313-I322 HydrophobicContact CG2-CD1 3.8Å; I313-I322 HydrophobicContact CG2-CG1 4.21Å; I313-L370 WeakPolarHBondContact O-CD2 3.22Å |
| 314 | S | 82.8 | Confident | 83.5 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 168.3 | 173.5 | 85.9 | 0 | 0 | 0 | 0 | 112.2 | T316 D317 | S314-T316 PolarHBondContact O-N 3.34Å; S314-T316 PolarHBondContact OG-N 2.86Å; S314-T316 PolarHBondContact OG-OG1 3.17Å; S314-D317 WeakPolarHBondContact CB-OD1 3.18Å; S314-D317 VanDerWaalsContact N-CG 3.29Å; S314-D317 PolarHBondContact N-OD2 3.14Å; S314-D317 PolarHBondContact OG-N 2.99Å; S314-D317 PolarHBondContact OG-OD1 3.36Å |
| 315 | I | 80.9 | Confident | 84.3 | Confident | 42 Ų | 42 | 51.4 Ų | 51.4 | 22% | 0.215 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -41.8 | 166.3 | -91.5 | -173.7 | 0 | 0 | 0 | 110.9 | S291 D317 C368 L370 E371 L374 | S291-I315 VanDerWaalsContact CB-CD1 3.44Å; S291-I315 PolarHBondContact O-N 3.23Å; S291-I315 VanDerWaalsContact OG-CD1 3.26Å; S291-I315 WeakPolarHBondContact OG-CD1 3.26Å; I315-D317 VanDerWaalsContact C-N 3.35Å; I315-D317 PolarHBondContact O-N 2.88Å; I315-C368 WeakPolarHBondContact O-CB 3.48Å; I315-L370 HydrophobicContact CG1-CD2 4.46Å; I315-L370 HydrophobicContact CG1-CG 4.36Å; I315-E371 HydrophobicContact CG2-CB 3.92Å; I315-E371 HydrophobicContact CG2-CG 4.03Å; I315-L374 HydrophobicContact CD1-CD1 3.56Å; I315-L374 HydrophobicContact CG1-CD1 3.76Å |
| 316 | T | 81.3 | Confident | 85.4 | Confident | 107 Ų | 107 | 42.5 Ų | 42.5 | 66% | 0.656 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | 5.3 | -170.1 | 47.2 | 0 | 0 | 0 | 0 | 115.3 | S314 | S314-T316 PolarHBondContact O-N 3.34Å; S314-T316 PolarHBondContact OG-N 2.86Å; S314-T316 PolarHBondContact OG-OG1 3.17Å |
| 317 | D | 85.9 | Confident | 86 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | trans | -83.1 | 115.5 | -179.1 | -71.9 | 5.7 | 0 | 0 | 0 | 110.3 | I313 S314 I315 Y321 I322 P369 | I313-D317 VanDerWaalsContact CA-OD2 3.26Å; I313-D317 WeakPolarHBondContact CA-OD2 3.17Å; I313-D317 HydrophobicContact CG2-CB 3.5Å; I313-D317 VanDerWaalsContact CG2-CB 3.5Å; S314-D317 WeakPolarHBondContact CB-OD1 3.18Å; S314-D317 VanDerWaalsContact N-CG 3.29Å; S314-D317 PolarHBondContact N-OD2 3.14Å; S314-D317 PolarHBondContact OG-N 2.99Å; S314-D317 PolarHBondContact OG-OD1 3.36Å; I315-D317 VanDerWaalsContact C-N 3.35Å; I315-D317 PolarHBondContact O-N 2.88Å; D317-Y321 HydrophobicContact CB-CD1 3.84Å; D317-Y321 HydrophobicContact CB-CE1 4.06Å; D317-Y321 WeakPolarHBondContact OD2-CE1 3.38Å; D317-I322 HydrophobicContact CB-CD1 4.37Å; D317-I322 HydrophobicContact CB-CG1 4.4Å; D317-I322 WeakPolarHBondContact O-CD1 3.5Å; D317-P369 VanDerWaalsContact O-CD 3.24Å; D317-P369 WeakPolarHBondContact O-CD 3.31Å | ||
| 318 | N | 89.4 | Confident | 86.8 | Confident | 54 Ų | 54 | 40 Ų | 40 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | trans | -81.3 | 162.9 | -178.4 | 78.2 | -6.7 | 0 | 0 | 0 | 114.1 | G320 Y321 I322 L367 | N318-G320 VanDerWaalsContact C-N 3.3Å; N318-G320 PolarHBondContact O-N 2.91Å; N318-Y321 PolarHBondContact O-N 3.45Å; N318-Y321 VanDerWaalsContact O-N 3.1Å; N318-Y321 WeakPolarHBondContact OD1-CB 3.37Å; N318-Y321 PolarHBondContact OD1-N 3.06Å; N318-I322 WeakPolarHBondContact O-CG1 3.24Å; N318-I322 PolarHBondContact O-N 3Å; N318-L367 CarbonylContact C-O 3.49Å; N318-L367 VanDerWaalsContact CA-O 3.23Å; N318-L367 WeakPolarHBondContact CA-O 3.18Å | ||
| 319 | V | 89.8 | Confident | 86.7 | Confident | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.1 | -44.4 | 178.8 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | Y321 I322 I323 L342 L363 L367 P369 | V319-Y321 VanDerWaalsContact C-N 3.32Å; V319-Y321 PolarHBondContact O-N 2.83Å; V319-I322 PolarHBondContact O-N 3.46Å; V319-I322 VanDerWaalsContact O-N 3.1Å; V319-I323 HydrophobicContact CG1-CD1 3.61Å; V319-I323 HydrophobicContact CG1-CG1 4.16Å; V319-I323 WeakPolarHBondContact O-CG1 3.46Å; V319-I323 PolarHBondContact O-N 2.75Å; V319-L342 HydrophobicContact CG1-CB 3.82Å; V319-L342 HydrophobicContact CG2-CD2 4.31Å; V319-L363 HydrophobicContact CG2-CB 3.65Å; V319-L363 HydrophobicContact CG2-CD1 3.95Å; V319-L363 HydrophobicContact CG2-CG 4.49Å; V319-L367 HydrophobicContact CG2-CB 4.26Å; V319-L367 WeakPolarHBondContact CG2-O 3.33Å; V319-L367 PolarHBondContact N-O 2.93Å; V319-P369 HydrophobicContact CG2-CG 3.65Å |
| 320 | G | 88 | Confident | 86.6 | Confident | 18 Ų | 18 | 38.8 Ų | 38.8 | 19% | 0.186 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -32.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | N318 R324 D365 | N318-G320 VanDerWaalsContact C-N 3.3Å; N318-G320 PolarHBondContact O-N 2.91Å; G320-R324 PolarHBondContact O-N 2.91Å; G320-R324 PolarHBondContact O-NH1 2.9Å; G320-D365 PolarHBondContact N-O 2.84Å |
| 321 | Y | 89.2 | Confident | 86.4 | Confident | 83 Ų | 83 | 38.5 Ų | 38.5 | 33% | 0.325 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.9 | -42.6 | 170.2 | 167.8 | -98.6 | 0 | 0 | 0 | 111.7 | D317 N318 V319 I323 R324 E325 | D317-Y321 HydrophobicContact CB-CD1 3.84Å; D317-Y321 HydrophobicContact CB-CE1 4.06Å; D317-Y321 WeakPolarHBondContact OD2-CE1 3.38Å; N318-Y321 PolarHBondContact O-N 3.45Å; N318-Y321 VanDerWaalsContact O-N 3.1Å; N318-Y321 WeakPolarHBondContact OD1-CB 3.37Å; N318-Y321 PolarHBondContact OD1-N 3.06Å; V319-Y321 VanDerWaalsContact C-N 3.32Å; V319-Y321 PolarHBondContact O-N 2.83Å; Y321-I323 PolarHBondContact O-N 2.88Å; Y321-R324 PolarHBondContact O-N 3.3Å; Y321-E325 HydrophobicContact CD2-CG 4.45Å; Y321-E325 HydrophobicContact CE1-CG 4.07Å; Y321-E325 HydrophobicContact CE2-CG 3.87Å; Y321-E325 PolarHBondContact O-N 3.44Å |
| 322 | I | 90.2 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65 | -38.5 | -179.2 | -67.7 | 167 | 0 | 0 | 0 | 111.8 | I297 L311 I313 D317 N318 V319 S326 L342 P369 | I297-I322 HydrophobicContact CD1-CG2 3.94Å; I297-I322 HydrophobicContact CG1-CG2 4.26Å; L311-I322 HydrophobicContact CD1-CG2 3.95Å; I313-I322 HydrophobicContact CD1-CD1 3.97Å; I313-I322 HydrophobicContact CD1-CG1 4.01Å; I313-I322 HydrophobicContact CD1-CG2 4.23Å; I313-I322 HydrophobicContact CG2-CD1 3.8Å; I313-I322 HydrophobicContact CG2-CG1 4.21Å; D317-I322 HydrophobicContact CB-CD1 4.37Å; D317-I322 HydrophobicContact CB-CG1 4.4Å; D317-I322 WeakPolarHBondContact O-CD1 3.5Å; N318-I322 WeakPolarHBondContact O-CG1 3.24Å; N318-I322 PolarHBondContact O-N 3Å; V319-I322 PolarHBondContact O-N 3.46Å; V319-I322 VanDerWaalsContact O-N 3.1Å; I322-S326 VanDerWaalsContact O-CB 3.24Å; I322-S326 WeakPolarHBondContact O-CB 3.2Å; I322-S326 PolarHBondContact O-N 3.08Å; I322-S326 PolarHBondContact O-OG 2.98Å; I322-L342 HydrophobicContact CG2-CD2 3.78Å; I322-P369 HydrophobicContact CD1-CB 4.44Å; I322-P369 VanDerWaalsContact CD1-CD 3.46Å; I322-P369 HydrophobicContact CD1-CG 3.61Å |
| 323 | I | 91.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 171.9 | -71.3 | 169.3 | 0 | 0 | 0 | 109.8 | V319 Y321 S326 L327 P337 L342 L404 | V319-I323 HydrophobicContact CG1-CD1 3.61Å; V319-I323 HydrophobicContact CG1-CG1 4.16Å; V319-I323 WeakPolarHBondContact O-CG1 3.46Å; V319-I323 PolarHBondContact O-N 2.75Å; Y321-I323 PolarHBondContact O-N 2.88Å; I323-S326 WeakPolarHBondContact O-CB 3.44Å; I323-S326 PolarHBondContact O-N 3.34Å; I323-S326 VanDerWaalsContact O-N 3.13Å; I323-L327 HydrophobicContact CG2-CD1 3.81Å; I323-L327 HydrophobicContact CG2-CG 4.35Å; I323-L327 WeakPolarHBondContact O-CG 3.4Å; I323-L327 PolarHBondContact O-N 2.96Å; I323-P337 HydrophobicContact CG2-CB 4.13Å; I323-L342 HydrophobicContact CD1-CB 4.43Å; I323-L342 HydrophobicContact CG1-CB 4.24Å; I323-L404 HydrophobicContact CB-CD1 4.44Å; I323-L404 HydrophobicContact CG1-CD1 4.01Å; I323-L404 HydrophobicContact CG2-CD1 4.18Å |
| 324 | R | 89.8 | Confident | 85.9 | Confident | 135 Ų | 135 | 54.6 Ų | 54.6 | 51% | 0.509 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | -178.9 | -167.7 | 179.9 | -66.5 | 96.9 | 3.2 | 113.2 | G320 Y321 S326 N328 P337 | G320-R324 PolarHBondContact O-N 2.91Å; G320-R324 PolarHBondContact O-NH1 2.9Å; Y321-R324 PolarHBondContact O-N 3.3Å; R324-S326 VanDerWaalsContact C-N 3.27Å; R324-S326 PolarHBondContact O-N 3.05Å; R324-N328 VanDerWaalsContact O-CB 3.32Å; R324-N328 WeakPolarHBondContact O-CB 3.3Å; R324-N328 PolarHBondContact O-N 2.94Å; R324-P337 HydrophobicContact CB-CG 4.48Å; R324-P337 HydrophobicContact CG-CG 4.39Å |
| 325 | E | 88.4 | Confident | 85.9 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 18% | 0.178 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.4 | -32.8 | 172.4 | -85.4 | -79 | 89.7 | 0 | 0 | 111.7 | K279 L311 Y321 K329 | K279-E325 IonicContact NZ-OE2 3.73Å; K279-E325 PolarHBondContact NZ-OE2 3.33Å; L311-E325 HydrophobicContact CD1-CB 4.08Å; L311-E325 HydrophobicContact CD2-CB 3.93Å; Y321-E325 HydrophobicContact CD2-CG 4.45Å; Y321-E325 HydrophobicContact CE1-CG 4.07Å; Y321-E325 HydrophobicContact CE2-CG 3.87Å; Y321-E325 PolarHBondContact O-N 3.44Å; E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 WeakPolarHBondContact O-CG 3.38Å; E325-K329 PolarHBondContact O-N 3.39Å |
| 326 | S | 89.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70 | -49 | 177.1 | -61.3 | 0 | 0 | 0 | 0 | 112 | L311 I322 I323 R324 K329 Y330 | L311-S326 WeakPolarHBondContact CD1-OG 3.16Å; I322-S326 VanDerWaalsContact O-CB 3.24Å; I322-S326 WeakPolarHBondContact O-CB 3.2Å; I322-S326 PolarHBondContact O-N 3.08Å; I322-S326 PolarHBondContact O-OG 2.98Å; I323-S326 WeakPolarHBondContact O-CB 3.44Å; I323-S326 PolarHBondContact O-N 3.34Å; I323-S326 VanDerWaalsContact O-N 3.13Å; R324-S326 VanDerWaalsContact C-N 3.27Å; R324-S326 PolarHBondContact O-N 3.05Å; S326-K329 CarbonylContact O-C 3.55Å; S326-K329 PolarHBondContact O-N 3.35Å; S326-Y330 WeakPolarHBondContact O-CD2 3.43Å; S326-Y330 PolarHBondContact O-N 2.88Å |
| 327 | L | 88.8 | Confident | 86.2 | Confident | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.2 | -48.6 | 177.3 | -71.4 | 169.7 | 0 | 0 | 0 | 110.9 | I323 K329 Y330 G331 L332 P337 Y340 L404 | I323-L327 HydrophobicContact CG2-CD1 3.81Å; I323-L327 HydrophobicContact CG2-CG 4.35Å; I323-L327 WeakPolarHBondContact O-CG 3.4Å; I323-L327 PolarHBondContact O-N 2.96Å; L327-K329 PolarHBondContact O-N 2.69Å; L327-Y330 CarbonylContact O-C 3.52Å; L327-Y330 WeakPolarHBondContact O-CA 3.43Å; L327-Y330 PolarHBondContact O-N 3.41Å; L327-G331 PolarHBondContact O-N 2.91Å; L327-L332 HydrophobicContact CB-CB 4.23Å; L327-L332 HydrophobicContact CD2-CB 4.09Å; L327-L332 HydrophobicContact CD2-CD1 3.95Å; L327-L332 PolarHBondContact O-N 3.4Å; L327-P337 HydrophobicContact CD1-CB 4.45Å; L327-Y340 HydrophobicContact CD1-CD2 3.73Å; L327-Y340 HydrophobicContact CD1-CE2 4.08Å; L327-Y340 HydrophobicContact CD1-CG 4.36Å; L327-Y340 HydrophobicContact CD2-CD1 4.28Å; L327-Y340 HydrophobicContact CD2-CD2 3.93Å; L327-Y340 HydrophobicContact CD2-CE1 4.17Å; L327-Y340 HydrophobicContact CD2-CE2 3.81Å; L327-Y340 HydrophobicContact CD2-CG 4.17Å; L327-Y340 HydrophobicContact CG-CD2 4.43Å; L327-L404 HydrophobicContact CD2-CD2 4.14Å; L327-L404 HydrophobicContact CG-CD2 4.45Å |
| 328 | N | 86.6 | Confident | 86.2 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 47% | 0.471 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -54 | -50.2 | 172.5 | -178.5 | -18.9 | 0 | 0 | 0 | 111.6 | R324 Y330 G331 | R324-N328 VanDerWaalsContact O-CB 3.32Å; R324-N328 WeakPolarHBondContact O-CB 3.3Å; R324-N328 PolarHBondContact O-N 2.94Å; N328-Y330 PolarHBondContact O-N 2.87Å; N328-G331 PolarHBondContact O-N 2.85Å |
| 329 | K | 84.8 | Confident | 86.1 | Confident | 87 Ų | 87 | 56.7 Ų | 56.7 | 38% | 0.378 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.6 | -20.6 | 176.3 | -76.2 | -157.4 | -170.2 | -173 | 0 | 114.9 | K309 T310 L311 E325 S326 L327 | K309-K329 HydrophobicContact CB-CB 4.36Å; K309-K329 HydrophobicContact CD-CB 4.33Å; K309-K329 WeakPolarHBondContact CD-O 3.35Å; K309-K329 WeakPolarHBondContact CE-O 3.45Å; K309-K329 HydrophobicContact CG-CB 4.28Å; K309-K329 PolarHBondContact NZ-O 2.98Å; T310-K329 PolarHBondContact O-NZ 3.25Å; L311-K329 HydrophobicContact CD2-CD 3.62Å; L311-K329 VanDerWaalsContact CD2-CE 3.45Å; L311-K329 HydrophobicContact CD2-CG 4.28Å; E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 WeakPolarHBondContact O-CG 3.38Å; E325-K329 PolarHBondContact O-N 3.39Å; S326-K329 CarbonylContact O-C 3.55Å; S326-K329 PolarHBondContact O-N 3.35Å; L327-K329 PolarHBondContact O-N 2.69Å |
| 330 | Y | 83.9 | Confident | 86.1 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -85.6 | -14.7 | 172.4 | -90.7 | -72 | 0 | 0 | 0 | 113.6 | G299 F303 I306 Y308 K309 S326 L327 N328 | G299-Y330 VanDerWaalsContact CA-OH 3.32Å; G299-Y330 WeakPolarHBondContact CA-OH 3.35Å; G299-Y330 PolarHBondContact N-OH 3.01Å; F303-Y330 HydrophobicContact CB-CD1 3.79Å; F303-Y330 HydrophobicContact CB-CE1 3.61Å; F303-Y330 HydrophobicContact CD1-CD1 4.4Å; F303-Y330 AromaticContact CD2-CD1 3.23Å; F303-Y330 HydrophobicContact CD2-CD1 3.23Å; F303-Y330 AromaticContact CD2-CE1 3.8Å; F303-Y330 HydrophobicContact CD2-CE1 3.8Å; F303-Y330 AromaticContact CD2-CG 3.68Å; F303-Y330 HydrophobicContact CD2-CG 3.68Å; F303-Y330 AromaticContact CE2-CD1 3.91Å; F303-Y330 HydrophobicContact CE2-CD1 3.91Å; F303-Y330 AromaticContact CE2-CG 3.99Å; F303-Y330 HydrophobicContact CE2-CG 3.99Å; F303-Y330 AromaticContact CG-CD1 3.53Å; F303-Y330 HydrophobicContact CG-CD1 3.53Å; F303-Y330 AromaticContact CG-CE1 3.91Å; F303-Y330 HydrophobicContact CG-CE1 3.91Å; F303-Y330 HydrophobicContact CG-CG 4.41Å; I306-Y330 HydrophobicContact CB-CE1 4.07Å; I306-Y330 HydrophobicContact CG2-CE1 4.26Å; I306-Y330 WeakPolarHBondContact O-CE1 3.43Å; I306-Y330 PolarHBondContact O-OH 3.39Å; Y308-Y330 VanDerWaalsContact CA-OH 3.3Å; Y308-Y330 WeakPolarHBondContact CA-OH 3.29Å; Y308-Y330 PolarHBondContact N-OH 2.96Å; K309-Y330 HydrophobicContact CB-CD2 4.49Å; K309-Y330 HydrophobicContact CB-CE2 4.04Å; K309-Y330 HydrophobicContact CD-CD1 4.45Å; K309-Y330 HydrophobicContact CD-CE1 4.37Å; K309-Y330 HydrophobicContact CG-CD1 4.13Å; K309-Y330 HydrophobicContact CG-CD2 3.59Å; K309-Y330 HydrophobicContact CG-CE1 3.89Å; K309-Y330 HydrophobicContact CG-CE2 3.31Å; K309-Y330 HydrophobicContact CG-CG 3.99Å; K309-Y330 VanDerWaalsContact CG-CZ 3.47Å; S326-Y330 WeakPolarHBondContact O-CD2 3.43Å; S326-Y330 PolarHBondContact O-N 2.88Å; L327-Y330 CarbonylContact O-C 3.52Å; L327-Y330 WeakPolarHBondContact O-CA 3.43Å; L327-Y330 PolarHBondContact O-N 3.41Å; N328-Y330 PolarHBondContact O-N 2.87Å |
| 331 | G | 82.4 | Confident | 86.3 | Confident | 52 Ų | 52 | 57.8 Ų | 57.8 | 54% | 0.536 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.4 | 28.5 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | L327 N328 | L327-G331 PolarHBondContact O-N 2.91Å; N328-G331 PolarHBondContact O-N 2.85Å |
| 332 | L | 82.7 | Confident | 86.5 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | trans | -118.5 | 48.1 | 174.5 | -65.9 | -175.8 | 0 | 0 | 0 | 110.8 | F303 L327 E334 A335 | F303-L332 HydrophobicContact CE2-CD1 3.6Å; F303-L332 HydrophobicContact CE2-CG 4Å; F303-L332 HydrophobicContact CZ-CD1 3.62Å; F303-L332 HydrophobicContact CZ-CD2 4.06Å; F303-L332 HydrophobicContact CZ-CG 3.65Å; L327-L332 HydrophobicContact CB-CB 4.23Å; L327-L332 HydrophobicContact CD2-CB 4.09Å; L327-L332 HydrophobicContact CD2-CD1 3.95Å; L327-L332 PolarHBondContact O-N 3.4Å; L332-E334 PolarHBondContact O-N 2.85Å; L332-A335 HydrophobicContact CB-CB 3.86Å; L332-A335 PolarHBondContact O-N 2.9Å | ||
| 333 | D | 80.9 | Confident | 86.5 | Confident | 125 Ų | 125 | 54 Ų | 54 | 67% | 0.668 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -16.4 | 179.1 | 48.8 | -50.6 | 0 | 0 | 0 | 114 | ||
| 334 | E | 78.1 | Confident | 86.3 | Confident | 193 Ų | 193 | 54 Ų | 54 | 90% | 0.902 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -8 | 171.4 | -61.4 | -171.3 | 159.9 | 0 | 0 | 114.4 | L332 | L332-E334 PolarHBondContact O-N 2.85Š|
| 335 | A | 82.2 | Confident | 86 | Confident | 28 Ų | 28 | 50 Ų | 50 | 23% | 0.231 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -81.4 | 138.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | L332 P337 Y340 | L332-A335 HydrophobicContact CB-CB 3.86Å; L332-A335 PolarHBondContact O-N 2.9Å; A335-P337 VanDerWaalsContact O-CD 3.24Å; A335-P337 WeakPolarHBondContact O-CD 3.5Å; A335-Y340 HydrophobicContact CB-CE2 4.07Å |
| 336 | D | 84.1 | Confident | 85.5 | Confident | 98 Ų | 98 | 50.8 Ų | 50.8 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | trans | -62.5 | 115.7 | 179.9 | -176.9 | 4 | 0 | 0 | 0 | 111.6 | D338 A339 Y340 | D336-D338 PolarHBondContact O-N 2.8Å; D336-D338 PolarHBondContact OD1-N 2.9Å; D336-A339 HydrophobicContact CB-CB 4.42Å; D336-A339 WeakPolarHBondContact O-CB 3.3Å; D336-A339 PolarHBondContact O-N 2.79Å; D336-A339 VanDerWaalsContact O-N 3.15Å; D336-Y340 VanDerWaalsContact O-CD2 3.28Å; D336-Y340 WeakPolarHBondContact O-CD2 3.39Å | ||
| 337 | P | 85.1 | Confident | 84.7 | Confident | 24 Ų | 24 | 53.8 Ų | 53.8 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -59.7 | -28.8 | 178.1 | -24.2 | 36 | 0 | 0 | 0 | 113.7 | I323 R324 L327 A335 A339 Y340 | I323-P337 HydrophobicContact CG2-CB 4.13Å; R324-P337 HydrophobicContact CB-CG 4.48Å; R324-P337 HydrophobicContact CG-CG 4.39Å; L327-P337 HydrophobicContact CD1-CB 4.45Å; A335-P337 VanDerWaalsContact O-CD 3.24Å; A335-P337 WeakPolarHBondContact O-CD 3.5Å; P337-A339 PolarHBondContact O-N 2.75Å; P337-Y340 PolarHBondContact O-N 2.81Å; P337-Y340 VanDerWaalsContact O-N 3.14Å |
| 338 | D | 85.5 | Confident | 83.5 | Confident | 109 Ų | 109 | 57.1 Ų | 57.1 | 58% | 0.583 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -71.4 | -16.3 | -178.6 | -78.1 | 11 | 0 | 0 | 0 | 112.3 | D336 Y340 K407 | D336-D338 PolarHBondContact O-N 2.8Å; D336-D338 PolarHBondContact OD1-N 2.9Å; D338-Y340 VanDerWaalsContact C-N 3.26Å; D338-Y340 PolarHBondContact O-N 2.81Å; D338-K407 WeakPolarHBondContact O-CD 3.39Å |
| 339 | A | 87 | Confident | 82 | Confident | 41 Ų | 41 | 55.3 Ų | 55.3 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -79.3 | -2.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D336 P337 K407 | D336-A339 HydrophobicContact CB-CB 4.42Å; D336-A339 WeakPolarHBondContact O-CB 3.3Å; D336-A339 PolarHBondContact O-N 2.79Å; D336-A339 VanDerWaalsContact O-N 3.15Å; P337-A339 PolarHBondContact O-N 2.75Å; A339-K407 WeakPolarHBondContact O-CB 3.27Å; A339-K407 PolarHBondContact O-N 2.65Å |
| 340 | Y | 90.4 | Very high | 80.5 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 15% | 0.149 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 163.8 | -179.2 | -61.3 | -88.6 | 0 | 0 | 0 | 112.4 | L302 L327 A335 D336 P337 D338 R405 K407 | L302-Y340 HydrophobicContact CD1-CD1 3.81Å; L302-Y340 HydrophobicContact CD1-CE1 3.68Å; L302-Y340 HydrophobicContact CD2-CE1 3.97Å; L302-Y340 HydrophobicContact CG-CE1 4.49Å; L327-Y340 HydrophobicContact CD1-CD2 3.73Å; L327-Y340 HydrophobicContact CD1-CE2 4.08Å; L327-Y340 HydrophobicContact CD1-CG 4.36Å; L327-Y340 HydrophobicContact CD2-CD1 4.28Å; L327-Y340 HydrophobicContact CD2-CD2 3.93Å; L327-Y340 HydrophobicContact CD2-CE1 4.17Å; L327-Y340 HydrophobicContact CD2-CE2 3.81Å; L327-Y340 HydrophobicContact CD2-CG 4.17Å; L327-Y340 HydrophobicContact CG-CD2 4.43Å; A335-Y340 HydrophobicContact CB-CE2 4.07Å; D336-Y340 VanDerWaalsContact O-CD2 3.28Å; D336-Y340 WeakPolarHBondContact O-CD2 3.39Å; P337-Y340 PolarHBondContact O-N 2.81Å; P337-Y340 VanDerWaalsContact O-N 3.14Å; D338-Y340 VanDerWaalsContact C-N 3.26Å; D338-Y340 PolarHBondContact O-N 2.81Å; Y340-R405 WeakPolarHBondContact CA-O 3.33Å; Y340-K407 WeakPolarHBondContact O-CD 3.39Å; Y340-K407 PolarHBondContact O-NZ 3.42Å |
| 341 | C | 91.7 | Very high | 79.1 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.014 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.6 | 171.8 | 61.7 | 0 | 0 | 0 | 0 | 111.9 | I362 R405 K407 | C341-I362 HydrophobicContact CB-CG2 3.82Å; C341-R405 PolarHBondContact N-O 2.94Å; C341-R405 PolarHBondContact O-N 3.02Å; C341-R405 VanDerWaalsContact O-N 3.09Å; C341-K407 HydrophobicContact CB-CG 4.1Å |
| 342 | L | 92.2 | Very high | 77.7 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 116.5 | 173.8 | -167 | 67.9 | 0 | 0 | 0 | 109.9 | I297 V319 I322 I323 L363 P369 F402 | I297-L342 HydrophobicContact CD1-CD1 4.25Å; I297-L342 HydrophobicContact CG2-CD1 3.8Å; V319-L342 HydrophobicContact CG1-CB 3.82Å; V319-L342 HydrophobicContact CG2-CD2 4.31Å; I322-L342 HydrophobicContact CG2-CD2 3.78Å; I323-L342 HydrophobicContact CD1-CB 4.43Å; I323-L342 HydrophobicContact CG1-CB 4.24Å; L342-L363 HydrophobicContact CD2-CD1 4.22Å; L342-L363 HydrophobicContact CG-CD1 4.44Å; L342-L363 WeakPolarHBondContact O-CB 3.37Å; L342-L363 PolarHBondContact O-N 3.47Å; L342-P369 HydrophobicContact CD2-CG 4.26Å; L342-F402 HydrophobicContact CD1-CB 4.24Å; L342-F402 HydrophobicContact CD2-CD1 4.12Å; L342-F402 HydrophobicContact CG-CB 4.49Å; L342-F402 HydrophobicContact CG-CD1 4.37Å |
| 343 | V | 90.1 | Very high | 76.1 | Confident | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 119.8 | 179.3 | -171.8 | 0 | 0 | 0 | 0 | 109 | E360 E361 I362 F402 E403 R405 | V343-E360 HydrophobicContact CG1-CB 4.03Å; V343-E360 HydrophobicContact CG1-CG 4.16Å; V343-E361 CarbonylContact C-O 3.47Å; V343-E361 WeakPolarHBondContact CA-O 3.32Å; V343-I362 HydrophobicContact CG2-CG1 4.38Å; V343-F402 CarbonylContact O-C 3.53Å; V343-F402 WeakPolarHBondContact O-CA 3.21Å; V343-E403 HydrophobicContact CB-CB 4.44Å; V343-E403 PolarHBondContact N-O 2.72Å; V343-E403 PolarHBondContact O-N 2.9Å; V343-R405 HydrophobicContact CG2-CG 4.34Å |
| 344 | M | 87.7 | Confident | 74.5 | Confident | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 138.4 | 165.1 | -164.9 | -171.9 | -65.9 | 0 | 0 | 109 | K346 E360 E361 L363 Y372 I400 F402 | M344-K346 HydrophobicContact SD-CD 4.45Å; M344-K346 WeakPolarHBondContact SD-CE 3.38Å; M344-K346 HydrophobicContact SD-CG 4.23Å; M344-E360 WeakPolarHBondContact O-CA 3.34Å; M344-E361 HydrophobicContact CB-CB 4.45Å; M344-E361 PolarHBondContact N-O 3.32Å; M344-E361 PolarHBondContact O-N 3.46Å; M344-L363 HydrophobicContact CB-CD1 4.1Å; M344-L363 HydrophobicContact CB-CD2 3.91Å; M344-L363 HydrophobicContact CB-CG 4.02Å; M344-L363 HydrophobicContact CE-CD1 4.12Å; M344-L363 HydrophobicContact CE-CD2 3.79Å; M344-Y372 HydrophobicContact CE-CD1 3.54Å; M344-Y372 HydrophobicContact CE-CE1 3.69Å; M344-Y372 HydrophobicContact CE-CG 4.27Å; M344-Y372 HydrophobicContact SD-CD1 4.35Å; M344-Y372 HydrophobicContact SD-CE1 3.99Å; M344-I400 HydrophobicContact CG-CG2 3.47Å; M344-I400 VanDerWaalsContact CG-CG2 3.47Å; M344-I400 HydrophobicContact SD-CG2 3.8Å; M344-F402 HydrophobicContact CB-CD1 4.32Å; M344-F402 HydrophobicContact CB-CE1 4.09Å; M344-F402 HydrophobicContact CE-CE1 3.54Å; M344-F402 HydrophobicContact CE-CZ 3.74Å; M344-F402 HydrophobicContact CG-CD1 4.25Å; M344-F402 HydrophobicContact CG-CE1 3.71Å; M344-F402 HydrophobicContact CG-CZ 3.95Å; M344-F402 HydrophobicContact SD-CE1 4.32Å; M344-F402 HydrophobicContact SD-CZ 4.29Å |
| 345 | R | 83.5 | Confident | 73 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 20% | 0.2 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 101.3 | -174.5 | -160.5 | 164.6 | -163.1 | -170.4 | 7.6 | 109.1 | V359 E360 I400 T401 E403 | R345-V359 CarbonylContact C-O 3.57Å; R345-V359 WeakPolarHBondContact CA-O 3.09Å; R345-E360 HydrophobicContact CB-CG 4.4Å; R345-E360 HydrophobicContact CG-CG 3.67Å; R345-E360 IonicContact CZ-OE1 3.59Å; R345-E360 VanDerWaalsContact NE-CD 3.32Å; R345-E360 IonicContact NE-OE1 2.72Å; R345-E360 PolarHBondContact NE-OE1 3.19Å; R345-E360 IonicContact NH2-OE1 3.03Å; R345-E360 PolarHBondContact NH2-OE1 2.89Å; R345-I400 WeakPolarHBondContact O-CA 3.48Å; R345-T401 WeakPolarHBondContact CB-O 3.31Å; R345-T401 PolarHBondContact N-O 3.36Å; R345-T401 PolarHBondContact O-N 3.05Å; R345-T401 PolarHBondContact O-OG1 2.88Å; R345-E403 IonicContact CZ-OE2 3.59Å; R345-E403 IonicContact NE-OE2 2.81Å; R345-E403 IonicContact NH1-OE1 3.72Å; R345-E403 IonicContact NH1-OE2 3.05Å; R345-E403 PolarHBondContact NH1-OE2 3.44Å |
| 346 | K | 79.3 | Confident | 71.3 | Confident | 54 Ų | 54 | 58.7 Ų | 58.7 | 24% | 0.235 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 133.2 | -174.8 | -64.4 | 164.9 | 177.1 | 165.3 | 0 | 109.6 | M344 G358 V359 E361 Y372 I400 | M344-K346 HydrophobicContact SD-CD 4.45Å; M344-K346 WeakPolarHBondContact SD-CE 3.38Å; M344-K346 HydrophobicContact SD-CG 4.23Å; K346-G358 CarbonylContact O-C 3.57Å; K346-G358 WeakPolarHBondContact O-CA 3.35Å; K346-V359 PolarHBondContact N-O 2.78Å; K346-V359 PolarHBondContact O-N 3.18Å; K346-E361 VanDerWaalsContact CE-OE2 3.31Å; K346-E361 WeakPolarHBondContact CE-OE2 3.34Å; K346-E361 IonicContact NZ-OE2 3.22Å; K346-E361 PolarHBondContact NZ-OE2 3.19Å; K346-Y372 PolarHBondContact NZ-OH 3.39Å; K346-I400 HydrophobicContact CG-CD1 4.32Å; K346-I400 HydrophobicContact CG-CG1 4.2Å; K346-I400 HydrophobicContact CG-CG2 4.44Å |
| 347 | R | 72.7 | Confident | 69.8 | Low | 62 Ų | 62 | 60 Ų | 60 | 23% | 0.234 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 118 | 175.9 | -66.8 | -177.6 | -177.3 | 88.6 | -2.2 | 110.7 | I352 T398 V399 T401 | R347-I352 HydrophobicContact CB-CD1 4.06Å; R347-I352 HydrophobicContact CB-CG1 4.05Å; R347-T398 CarbonylContact O-C 3.55Å; R347-T398 WeakPolarHBondContact O-CA 3.27Å; R347-V399 PolarHBondContact N-O 3.41Å; R347-V399 PolarHBondContact O-N 2.84Å; R347-T401 PolarHBondContact NH1-OG1 3.26Å |
| 348 | N | 63.1 | Low | 68.7 | Low | 74 Ų | 74 | 59.1 Ų | 59.1 | 40% | 0.396 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 159 | 169.6 | -46 | -55.1 | 0 | 0 | 0 | 110.1 | H350 D351 I352 N397 T398 | N348-H350 PolarHBondContact O-N 3.4Å; N348-H350 VanDerWaalsContact O-N 3.14Å; N348-D351 WeakPolarHBondContact CB-OD1 3.45Å; N348-D351 PolarHBondContact N-OD2 2.95Å; N348-D351 PolarHBondContact ND2-OD1 3.43Å; N348-D351 PolarHBondContact ND2-OD2 3.45Å; N348-D351 PolarHBondContact O-N 2.88Å; N348-I352 WeakPolarHBondContact O-CG1 3.4Å; N348-I352 PolarHBondContact O-N 2.88Å; N348-I352 VanDerWaalsContact O-N 3.1Å; N348-N397 CarbonylContact C-O 3.52Å; N348-T398 PolarHBondContact OD1-OG1 2.91Å |
| 349 | S | 55.3 | Low | 67.9 | Low | 50 Ų | 50 | 57.6 Ų | 57.6 | 35% | 0.35 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -58.1 | -26.1 | 172.9 | 42.2 | 0 | 0 | 0 | 0 | 113.9 | L353 N397 | S349-L353 PolarHBondContact O-N 2.94Å; S349-L353 VanDerWaalsContact O-N 3.08Å; S349-N397 PolarHBondContact N-O 2.99Å; S349-N397 WeakPolarHBondContact OG-CB 3.14Å; S349-N397 PolarHBondContact OG-ND2 3.05Å |
| 350 | H | 51.9 | Low | 67.6 | Low | 133 Ų | 133 | 57.4 Ų | 57.4 | 62% | 0.616 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -71 | -45.9 | 177.7 | -158.2 | 64.7 | 0 | 0 | 0 | 111.1 | N348 I352 L353 T354 | N348-H350 PolarHBondContact O-N 3.4Å; N348-H350 VanDerWaalsContact O-N 3.14Å; H350-I352 VanDerWaalsContact C-N 3.28Å; H350-I352 PolarHBondContact O-N 2.85Å; H350-L353 PolarHBondContact O-N 3.45Å; H350-L353 VanDerWaalsContact O-N 3.16Å; H350-T354 WeakPolarHBondContact O-CB 3.5Å; H350-T354 WeakPolarHBondContact O-CG2 3.41Å; H350-T354 PolarHBondContact O-N 3.19Å; H350-T354 PolarHBondContact O-OG1 3.38Å |
| 351 | D | 55.7 | Low | 67.2 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -57.9 | -41.8 | 173.8 | -31.4 | -15.2 | 0 | 0 | 0 | 110.9 | N348 L353 T354 G355 L356 | N348-D351 WeakPolarHBondContact CB-OD1 3.45Å; N348-D351 PolarHBondContact N-OD2 2.95Å; N348-D351 PolarHBondContact ND2-OD1 3.43Å; N348-D351 PolarHBondContact ND2-OD2 3.45Å; N348-D351 PolarHBondContact O-N 2.88Å; D351-L353 PolarHBondContact O-N 3.02Å; D351-T354 WeakPolarHBondContact CA-OG1 3.43Å; D351-T354 PolarHBondContact O-N 3.48Å; D351-T354 PolarHBondContact O-OG1 3.48Å; D351-G355 PolarHBondContact O-N 3.47Å; D351-L356 PolarHBondContact O-N 3.41Å |
| 352 | I | 53.4 | Low | 67 | Low | 89 Ų | 89 | 59.3 Ų | 59.3 | 46% | 0.456 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.7 | -35.2 | 178.3 | -64.8 | 167.4 | 0 | 0 | 0 | 112 | R347 N348 H350 V399 | R347-I352 HydrophobicContact CB-CD1 4.06Å; R347-I352 HydrophobicContact CB-CG1 4.05Å; N348-I352 WeakPolarHBondContact O-CG1 3.4Å; N348-I352 PolarHBondContact O-N 2.88Å; N348-I352 VanDerWaalsContact O-N 3.1Å; H350-I352 VanDerWaalsContact C-N 3.28Å; H350-I352 PolarHBondContact O-N 2.85Å; I352-V399 HydrophobicContact CD1-CG2 4.26Å |
| 353 | L | 48.4 | Very low | 66.8 | Low | 154 Ų | 154 | 59.5 Ų | 59.5 | 81% | 0.806 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -78 | -29.9 | 176 | -114.5 | 80.3 | 0 | 0 | 0 | 113.6 | S349 H350 D351 | S349-L353 PolarHBondContact O-N 2.94Å; S349-L353 VanDerWaalsContact O-N 3.08Å; H350-L353 PolarHBondContact O-N 3.45Å; H350-L353 VanDerWaalsContact O-N 3.16Å; D351-L353 PolarHBondContact O-N 3.02Å |
| 354 | T | 47.5 | Very low | 66.5 | Low | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.393 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -97.5 | -8.8 | -171.7 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | H350 D351 L356 | H350-T354 WeakPolarHBondContact O-CB 3.5Å; H350-T354 WeakPolarHBondContact O-CG2 3.41Å; H350-T354 PolarHBondContact O-N 3.19Å; H350-T354 PolarHBondContact O-OG1 3.38Å; D351-T354 WeakPolarHBondContact CA-OG1 3.43Å; D351-T354 PolarHBondContact O-N 3.48Å; D351-T354 PolarHBondContact O-OG1 3.48Å; T354-L356 PolarHBondContact O-N 3.35Å |
| 355 | G | 45.9 | Very low | 66.3 | Low | 30 Ų | 30 | 65.2 Ų | 65.2 | 31% | 0.309 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 8.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D351 | D351-G355 PolarHBondContact O-N 3.47Š|
| 356 | L | 46.3 | Very low | 66.2 | Low | 125 Ų | 125 | 69.4 Ų | 69.4 | 65% | 0.654 | 38% | 0.382 | S | S | * | . | trans | -68.6 | 146.3 | 177.1 | -78.7 | 167.3 | 0 | 0 | 0 | 111.6 | D351 T354 G358 | D351-L356 PolarHBondContact O-N 3.41Å; T354-L356 PolarHBondContact O-N 3.35Å; L356-G358 PolarHBondContact O-N 3.05Å; L356-G358 VanDerWaalsContact O-N 3.12Å | ||
| 357 | V | 53.8 | Low | 66.4 | Low | 125 Ų | 125 | 69.7 Ų | 69.7 | 76% | 0.758 | 39% | 0.386 | S | S | * | . | trans | -72.6 | 106.9 | -178.9 | -176.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 358 | G | 60.6 | Low | 67.1 | Low | 6 Ų | 6 | 67.9 Ų | 67.9 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -59.3 | 143.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K346 L356 E360 | K346-G358 CarbonylContact O-C 3.57Å; K346-G358 WeakPolarHBondContact O-CA 3.35Å; L356-G358 PolarHBondContact O-N 3.05Å; L356-G358 VanDerWaalsContact O-N 3.12Å; G358-E360 PolarHBondContact O-N 3.26Å |
| 359 | V | 70.2 | Confident | 68 | Low | 77 Ų | 77 | 64.4 Ų | 64.4 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -60.2 | 126.1 | -169.3 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | R345 K346 | R345-V359 CarbonylContact C-O 3.57Å; R345-V359 WeakPolarHBondContact CA-O 3.09Å; K346-V359 PolarHBondContact N-O 2.78Å; K346-V359 PolarHBondContact O-N 3.18Å |
| 360 | E | 80.5 | Confident | 69.1 | Low | 36 Ų | 36 | 63.4 Ų | 63.4 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 128.8 | 169.7 | -77.3 | 178.3 | -136.6 | 0 | 0 | 110.4 | V343 M344 R345 G358 R405 | V343-E360 HydrophobicContact CG1-CB 4.03Å; V343-E360 HydrophobicContact CG1-CG 4.16Å; M344-E360 WeakPolarHBondContact O-CA 3.34Å; R345-E360 HydrophobicContact CB-CG 4.4Å; R345-E360 HydrophobicContact CG-CG 3.67Å; R345-E360 IonicContact CZ-OE1 3.59Å; R345-E360 VanDerWaalsContact NE-CD 3.32Å; R345-E360 IonicContact NE-OE1 2.72Å; R345-E360 PolarHBondContact NE-OE1 3.19Å; R345-E360 IonicContact NH2-OE1 3.03Å; R345-E360 PolarHBondContact NH2-OE1 2.89Å; G358-E360 PolarHBondContact O-N 3.26Å; E360-R405 IonicContact OE1-NH2 3.56Å; E360-R405 IonicContact OE2-CZ 3.74Å; E360-R405 IonicContact OE2-NH1 3.67Å; E360-R405 PolarHBondContact OE2-NH1 3.04Å; E360-R405 IonicContact OE2-NH2 2.77Å; E360-R405 PolarHBondContact OE2-NH2 2.69Å |
| 361 | E | 82.1 | Confident | 70.4 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 9% | 0.093 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 115.8 | -175.9 | -180 | -175.1 | 151.4 | 0 | 0 | 108.1 | V343 M344 K346 L363 Y372 | V343-E361 CarbonylContact C-O 3.47Å; V343-E361 WeakPolarHBondContact CA-O 3.32Å; M344-E361 HydrophobicContact CB-CB 4.45Å; M344-E361 PolarHBondContact N-O 3.32Å; M344-E361 PolarHBondContact O-N 3.46Å; K346-E361 VanDerWaalsContact CE-OE2 3.31Å; K346-E361 WeakPolarHBondContact CE-OE2 3.34Å; K346-E361 IonicContact NZ-OE2 3.22Å; K346-E361 PolarHBondContact NZ-OE2 3.19Å; E361-L363 HydrophobicContact CG-CD2 4.28Å; E361-L363 PolarHBondContact O-N 3.5Å; E361-Y372 PolarHBondContact OE1-OH 2.89Å; E361-Y372 PolarHBondContact OE2-OH 3.28Å |
| 362 | I | 86.6 | Confident | 71.6 | Confident | 61 Ų | 61 | 62.7 Ų | 62.7 | 31% | 0.313 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 112.3 | 175 | -58.1 | 177 | 0 | 0 | 0 | 107.2 | C341 V343 P408 L411 | C341-I362 HydrophobicContact CB-CG2 3.82Å; V343-I362 HydrophobicContact CG2-CG1 4.38Å; I362-P408 HydrophobicContact CD1-CG 4.17Å; I362-L411 HydrophobicContact CD1-CD1 3.56Å |
| 363 | L | 87.4 | Confident | 72.6 | Confident | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | trans | -73.4 | 133.6 | -178.3 | -57.1 | 174.4 | 0 | 0 | 0 | 110.3 | V319 L342 M344 E361 L367 P369 F402 | V319-L363 HydrophobicContact CG2-CB 3.65Å; V319-L363 HydrophobicContact CG2-CD1 3.95Å; V319-L363 HydrophobicContact CG2-CG 4.49Å; L342-L363 HydrophobicContact CD2-CD1 4.22Å; L342-L363 HydrophobicContact CG-CD1 4.44Å; L342-L363 WeakPolarHBondContact O-CB 3.37Å; L342-L363 PolarHBondContact O-N 3.47Å; M344-L363 HydrophobicContact CB-CD1 4.1Å; M344-L363 HydrophobicContact CB-CD2 3.91Å; M344-L363 HydrophobicContact CB-CG 4.02Å; M344-L363 HydrophobicContact CE-CD1 4.12Å; M344-L363 HydrophobicContact CE-CD2 3.79Å; E361-L363 HydrophobicContact CG-CD2 4.28Å; E361-L363 PolarHBondContact O-N 3.5Å; L363-L367 HydrophobicContact CB-CD1 4.22Å; L363-L367 HydrophobicContact CD2-CD1 4Å; L363-P369 HydrophobicContact CD1-CB 4.34Å; L363-P369 HydrophobicContact CD1-CG 4.12Å; L363-F402 HydrophobicContact CD1-CD1 4.07Å; L363-F402 HydrophobicContact CD1-CE1 3.9Å | ||
| 364 | S | 84.2 | Confident | 73.7 | Confident | 77 Ų | 77 | 56.2 Ų | 56.2 | 54% | 0.538 | 32% | 0.315 | S | S | . | . | trans | -62.2 | 143.2 | 171 | -66 | 0 | 0 | 0 | 0 | 110.8 | D366 L367 | S364-D366 PolarHBondContact O-N 2.85Å; S364-L367 WeakPolarHBondContact O-CB 3.45Å; S364-L367 PolarHBondContact O-N 3.14Å | ||
| 365 | D | 82.9 | Confident | 74.5 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 25% | 0.246 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -22.4 | -171.6 | -56.6 | -60.5 | 0 | 0 | 0 | 113.6 | G320 K407 | G320-D365 PolarHBondContact N-O 2.84Å; D365-K407 VanDerWaalsContact CG-NZ 3.31Å; D365-K407 IonicContact OD1-NZ 3.5Å; D365-K407 PolarHBondContact OD1-NZ 3.42Å; D365-K407 IonicContact OD2-NZ 3.46Å; D365-K407 PolarHBondContact OD2-NZ 3.38Å |
| 366 | D | 81.8 | Confident | 74.9 | Confident | 142 Ų | 142 | 58.5 Ų | 58.5 | 76% | 0.759 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -13.9 | 176.7 | -64.7 | -57.4 | 0 | 0 | 0 | 115.2 | S364 | S364-D366 PolarHBondContact O-N 2.85Š|
| 367 | L | 84.8 | Confident | 74.9 | Confident | 59 Ų | 59 | 58.2 Ų | 58.2 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | trans | -68.3 | 143.8 | -179.6 | -79.2 | 171.5 | 0 | 0 | 0 | 111.3 | N318 V319 L363 S364 P369 Y372 | N318-L367 CarbonylContact C-O 3.49Å; N318-L367 VanDerWaalsContact CA-O 3.23Å; N318-L367 WeakPolarHBondContact CA-O 3.18Å; V319-L367 HydrophobicContact CG2-CB 4.26Å; V319-L367 WeakPolarHBondContact CG2-O 3.33Å; V319-L367 PolarHBondContact N-O 2.93Å; L363-L367 HydrophobicContact CB-CD1 4.22Å; L363-L367 HydrophobicContact CD2-CD1 4Å; S364-L367 WeakPolarHBondContact O-CB 3.45Å; S364-L367 PolarHBondContact O-N 3.14Å; L367-P369 WeakPolarHBondContact O-CD 3.26Å; L367-Y372 HydrophobicContact CD2-CD2 4.27Å | ||
| 368 | C | 87.1 | Confident | 74.1 | Confident | 24 Ų | 24 | 56.7 Ų | 56.7 | 16% | 0.162 | 32% | 0.319 | C | S | . | . | trans | -97.6 | 103.2 | 171.2 | -67.2 | 0 | 0 | 0 | 0 | 109.6 | I315 L370 E371 Y372 | I315-C368 WeakPolarHBondContact O-CB 3.48Å; C368-L370 VanDerWaalsContact C-N 3.35Å; C368-L370 PolarHBondContact O-N 2.87Å; C368-E371 HydrophobicContact CB-CB 3.67Å; C368-E371 WeakPolarHBondContact CB-OE2 3.35Å; C368-E371 WeakPolarHBondContact O-CB 3.46Å; C368-E371 PolarHBondContact O-N 3.2Å; C368-Y372 WeakPolarHBondContact O-CB 3.27Å; C368-Y372 PolarHBondContact O-N 2.92Å | ||
| 369 | P | 81.4 | Confident | 72.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.5 | -33.3 | -167.3 | -26.5 | 38.3 | 0 | 0 | 0 | 114.6 | D317 V319 I322 L342 L363 L367 L373 F402 | D317-P369 VanDerWaalsContact O-CD 3.24Å; D317-P369 WeakPolarHBondContact O-CD 3.31Å; V319-P369 HydrophobicContact CG2-CG 3.65Å; I322-P369 HydrophobicContact CD1-CB 4.44Å; I322-P369 VanDerWaalsContact CD1-CD 3.46Å; I322-P369 HydrophobicContact CD1-CG 3.61Å; L342-P369 HydrophobicContact CD2-CG 4.26Å; L363-P369 HydrophobicContact CD1-CB 4.34Å; L363-P369 HydrophobicContact CD1-CG 4.12Å; L367-P369 WeakPolarHBondContact O-CD 3.26Å; P369-L373 VanDerWaalsContact O-CG 3.29Å; P369-L373 WeakPolarHBondContact O-CG 3.42Å; P369-L373 PolarHBondContact O-N 2.86Å; P369-L373 VanDerWaalsContact O-N 3.11Å; P369-F402 HydrophobicContact CB-CD1 4.47Å; P369-F402 HydrophobicContact CB-CE1 3.77Å; P369-F402 HydrophobicContact CB-CZ 4.26Å |
| 370 | L | 78.2 | Confident | 70.9 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.152 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -76.6 | -34.1 | 178.1 | -170.6 | 63.7 | 0 | 0 | 0 | 111.7 | I313 I315 C368 L374 | I313-L370 WeakPolarHBondContact O-CD2 3.22Å; I315-L370 HydrophobicContact CG1-CD2 4.46Å; I315-L370 HydrophobicContact CG1-CG 4.36Å; C368-L370 VanDerWaalsContact C-N 3.35Å; C368-L370 PolarHBondContact O-N 2.87Å; L370-L374 HydrophobicContact CG-CD1 4.29Å; L370-L374 WeakPolarHBondContact O-CD1 3.17Å; L370-L374 WeakPolarHBondContact O-CG 3.2Å; L370-L374 PolarHBondContact O-N 3.15Å |
| 371 | E | 79.9 | Confident | 68.5 | Low | 87 Ų | 87 | 70.8 Ų | 70.8 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63 | -49.5 | 169.2 | -166.7 | 174.6 | -176.6 | 0 | 0 | 111.3 | I315 C368 L373 L374 T375 | I315-E371 HydrophobicContact CG2-CB 3.92Å; I315-E371 HydrophobicContact CG2-CG 4.03Å; C368-E371 HydrophobicContact CB-CB 3.67Å; C368-E371 WeakPolarHBondContact CB-OE2 3.35Å; C368-E371 WeakPolarHBondContact O-CB 3.46Å; C368-E371 PolarHBondContact O-N 3.2Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.45Å; E371-L374 PolarHBondContact O-N 3.06Å; E371-T375 WeakPolarHBondContact O-CB 3.48Å; E371-T375 PolarHBondContact O-N 3.47Å; E371-T375 PolarHBondContact O-OG1 2.86Å |
| 372 | Y | 80.2 | Confident | 66.4 | Low | 60 Ų | 60 | 75.4 Ų | 75.4 | 24% | 0.235 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.1 | -43.7 | 178.3 | -179.6 | -73.7 | 0 | 0 | 0 | 111.6 | M344 K346 E361 L367 C368 L374 S376 | M344-Y372 HydrophobicContact CE-CD1 3.54Å; M344-Y372 HydrophobicContact CE-CE1 3.69Å; M344-Y372 HydrophobicContact CE-CG 4.27Å; M344-Y372 HydrophobicContact SD-CD1 4.35Å; M344-Y372 HydrophobicContact SD-CE1 3.99Å; K346-Y372 PolarHBondContact NZ-OH 3.39Å; E361-Y372 PolarHBondContact OE1-OH 2.89Å; E361-Y372 PolarHBondContact OE2-OH 3.28Å; L367-Y372 HydrophobicContact CD2-CD2 4.27Å; C368-Y372 WeakPolarHBondContact O-CB 3.27Å; C368-Y372 PolarHBondContact O-N 2.92Å; Y372-L374 VanDerWaalsContact C-N 3.32Å; Y372-L374 PolarHBondContact O-N 3.17Å; Y372-S376 WeakPolarHBondContact O-CB 3.29Å; Y372-S376 PolarHBondContact O-N 3.2Å; Y372-S376 PolarHBondContact O-OG 3.07Å |
| 373 | L | 75.3 | Confident | 63.7 | Low | 32 Ų | 32 | 78.3 Ų | 78.3 | 17% | 0.168 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.5 | -35 | 175.6 | -77.6 | 176.4 | 0 | 0 | 0 | 113.5 | P369 E371 S376 L377 I400 F402 | P369-L373 VanDerWaalsContact O-CG 3.29Å; P369-L373 WeakPolarHBondContact O-CG 3.42Å; P369-L373 PolarHBondContact O-N 2.86Å; P369-L373 VanDerWaalsContact O-N 3.11Å; E371-L373 VanDerWaalsContact C-N 3.3Å; E371-L373 PolarHBondContact O-N 3.45Å; L373-S376 PolarHBondContact O-OG 2.94Å; L373-L377 WeakPolarHBondContact O-CD1 3.4Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L373-I400 HydrophobicContact CD2-CB 4.43Å; L373-I400 HydrophobicContact CD2-CD1 3.48Å; L373-I400 VanDerWaalsContact CD2-CD1 3.48Å; L373-I400 HydrophobicContact CD2-CG2 4.2Å; L373-F402 HydrophobicContact CD1-CE2 3.93Å; L373-F402 HydrophobicContact CD1-CZ 3.78Å; L373-F402 HydrophobicContact CD2-CZ 4.42Å; L373-F402 HydrophobicContact CG-CZ 4.16Å |
| 374 | L | 70.8 | Confident | 61.1 | Low | 76 Ų | 76 | 83.6 Ų | 83.6 | 40% | 0.398 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -85.8 | -32.1 | -178.4 | -69.2 | 169 | 0 | 0 | 0 | 112.4 | I315 L370 E371 Y372 L377 | I315-L374 HydrophobicContact CD1-CD1 3.56Å; I315-L374 HydrophobicContact CG1-CD1 3.76Å; L370-L374 HydrophobicContact CG-CD1 4.29Å; L370-L374 WeakPolarHBondContact O-CD1 3.17Å; L370-L374 WeakPolarHBondContact O-CG 3.2Å; L370-L374 PolarHBondContact O-N 3.15Å; E371-L374 PolarHBondContact O-N 3.06Å; Y372-L374 VanDerWaalsContact C-N 3.32Å; Y372-L374 PolarHBondContact O-N 3.17Å; L374-L377 HydrophobicContact CD2-CD1 4.47Å; L374-L377 WeakPolarHBondContact O-CB 3.45Å; L374-L377 PolarHBondContact O-N 3.38Å |
| 375 | T | 65 | Low | 58.4 | Low | 71 Ų | 71 | 85.2 Ų | 85.2 | 44% | 0.436 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.7 | -38.5 | 175.6 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | E371 L377 S378 T379 | E371-T375 WeakPolarHBondContact O-CB 3.48Å; E371-T375 PolarHBondContact O-N 3.47Å; E371-T375 PolarHBondContact O-OG1 2.86Å; T375-L377 PolarHBondContact O-N 3.14Å; T375-S378 PolarHBondContact O-N 3.23Å; T375-T379 HydrophobicContact CG2-CG2 4.04Å; T375-T379 PolarHBondContact O-N 2.87Å |
| 376 | S | 54.5 | Low | 55.8 | Low | 70 Ų | 70 | 87.9 Ų | 87.9 | 49% | 0.49 | 52% | 0.524 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | -12.9 | 172.1 | 54.6 | 0 | 0 | 0 | 0 | 114.1 | Y372 L373 | Y372-S376 WeakPolarHBondContact O-CB 3.29Å; Y372-S376 PolarHBondContact O-N 3.2Å; Y372-S376 PolarHBondContact O-OG 3.07Å; L373-S376 PolarHBondContact O-OG 2.94Å |
| 377 | L | 45.3 | Very low | 53 | Low | 120 Ų | 120 | 86.1 Ų | 86.1 | 63% | 0.628 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -7.3 | 167.1 | -74.7 | 166.7 | 0 | 0 | 0 | 113.7 | L373 L374 T375 F395 | L373-L377 WeakPolarHBondContact O-CD1 3.4Å; L373-L377 WeakPolarHBondContact O-CG 3.43Å; L374-L377 HydrophobicContact CD2-CD1 4.47Å; L374-L377 WeakPolarHBondContact O-CB 3.45Å; L374-L377 PolarHBondContact O-N 3.38Å; T375-L377 PolarHBondContact O-N 3.14Å; L377-F395 HydrophobicContact CD2-CB 4.44Å |
| 378 | S | 38 | Very low | 50.2 | Low | 93 Ų | 93 | 89.2 Ų | 89.2 | 65% | 0.65 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.4 | -9.4 | -168.8 | -168.1 | 0 | 0 | 0 | 0 | 115.5 | T375 N380 | T375-S378 PolarHBondContact O-N 3.23Å; S378-N380 PolarHBondContact O-N 3.09Å; S378-N380 VanDerWaalsContact O-N 3.15Å |
| 379 | T | 32.2 | Very low | 47.2 | Very low | 98 Ų | 98 | 94.2 Ų | 94.2 | 60% | 0.601 | 57% | 0.574 | S | S | * | * | trans | -86.9 | 79 | -177.3 | 51 | 0 | 0 | 0 | 0 | 113.3 | T375 | T375-T379 HydrophobicContact CG2-CG2 4.04Å; T375-T379 PolarHBondContact O-N 2.87Å | ||
| 380 | N | 31 | Very low | 44.4 | Very low | 159 Ų | 159 | 101.2 Ų | 101.2 | 85% | 0.85 | 62% | 0.616 | S | S | * | * | trans | -143.1 | 115.5 | 156.5 | -90.2 | -46.4 | 0 | 0 | 0 | 108.1 | S378 | S378-N380 PolarHBondContact O-N 3.09Å; S378-N380 VanDerWaalsContact O-N 3.15Å | ||
| 381 | N | 29.6 | Very low | 41.9 | Very low | 158 Ų | 158 | 102.9 Ų | 102.9 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | trans | -127.7 | 164 | -169 | -111.7 | -14.6 | 0 | 0 | 0 | 111.4 | ||||
| 382 | P | 38.9 | Very low | 39.3 | Very low | 116 Ų | 116 | 105.6 Ų | 105.6 | 75% | 0.753 | 66% | 0.663 | S | S | * | * | -119.4 | 137.9 | -115.5 | 38.9 | -31.3 | 0 | 0 | 0 | 117.7 | |||||
| 383 | S | 29.1 | Very low | 36.7 | Very low | 123 Ų | 123 | 112.5 Ų | 112.5 | 86% | 0.86 | 69% | 0.694 | S | S | * | * | trans | -168.4 | 136.9 | 155.2 | 53.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 384 | S | 33.2 | Very low | 34.5 | Very low | 115 Ų | 115 | 116.2 Ų | 116.2 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | cis | -143.8 | 179.5 | 11.2 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 385 | S | 28.4 | Very low | 32.8 | Very low | 111 Ų | 111 | 120.7 Ų | 120.7 | 78% | 0.776 | 74% | 0.739 | S | S | * | * | trans | -61.4 | 158.5 | 172.9 | 50.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 386 | S | 27.5 | Very low | 31.5 | Very low | 101 Ų | 101 | 119.6 Ų | 119.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | cis | -156.4 | 148.8 | 13.4 | 46.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 387 | S | 23.1 | Very low | 31.4 | Very low | 106 Ų | 106 | 121.6 Ų | 121.6 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | trans | 48.4 | 128.5 | 151.4 | 60.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 388 | T | 25.5 | Very low | 32 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 76% | 0.761 | 74% | 0.735 | S | S | * | * | cis | -165.9 | 136.7 | 47.1 | -48 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 389 | V | 23.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 118 Ų | 118 | 78% | 0.782 | 73% | 0.726 | S | S | * | * | trans | 39.4 | 129.6 | 151.6 | -179 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 390 | V | 23.8 | Very low | 35.9 | Very low | 148 Ų | 148 | 116 Ų | 116 | 90% | 0.897 | 71% | 0.711 | S | S | * | * | trans | 71.8 | 122.1 | 170 | 173 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 391 | G | 25.6 | Very low | 38.5 | Very low | 64 Ų | 64 | 109.9 Ų | 109.9 | 66% | 0.66 | 68% | 0.68 | S | S | * | * | trans | 152.3 | 64.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K393 | G391-K393 PolarHBondContact O-N 2.96Š| ||
| 392 | T | 24.4 | Very low | 41.4 | Very low | 144 Ų | 144 | 102.5 Ų | 102.5 | 88% | 0.883 | 64% | 0.64 | S | S | * | * | trans | -70.2 | 91.1 | 172.5 | 49.4 | 0 | 0 | 0 | 0 | 111.1 | S394 | T392-S394 PolarHBondContact O-N 2.85Š| ||
| 393 | K | 25.5 | Very low | 43.8 | Very low | 205 Ų | 205 | 98 Ų | 98 | 89% | 0.891 | 61% | 0.609 | S | S | * | * | trans | -68.2 | 96.1 | 171.3 | -79.1 | -172.9 | 175.3 | -179.8 | 0 | 110.4 | G391 | G391-K393 PolarHBondContact O-N 2.96Š| ||
| 394 | S | 30.7 | Very low | 46.8 | Very low | 109 Ų | 109 | 92.1 Ų | 92.1 | 76% | 0.762 | 57% | 0.568 | S | S | * | * | trans | -64.9 | 134.8 | 167 | 178.4 | 0 | 0 | 0 | 0 | 110.5 | T392 G396 | T392-S394 PolarHBondContact O-N 2.85Å; S394-G396 PolarHBondContact O-N 3.14Å | ||
| 395 | F | 34.6 | Very low | 49.4 | Very low | 171 Ų | 171 | 88.2 Ų | 88.2 | 75% | 0.75 | 54% | 0.536 | S | S | * | . | trans | -72 | 77.7 | 164.8 | -100.9 | -83.4 | 0 | 0 | 0 | 109.8 | L377 | L377-F395 HydrophobicContact CD2-CB 4.44Š| ||
| 396 | G | 36.9 | Very low | 52.2 | Low | 47 Ų | 47 | 85.8 Ų | 85.8 | 49% | 0.485 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 138.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | S394 | S394-G396 PolarHBondContact O-N 3.14Š|
| 397 | N | 52.5 | Low | 54.9 | Low | 113 Ų | 113 | 82.3 Ų | 82.3 | 60% | 0.604 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.9 | 24.3 | 159.8 | -45.3 | -8.8 | 0 | 0 | 0 | 119.5 | N348 S349 | N348-N397 CarbonylContact C-O 3.52Å; S349-N397 PolarHBondContact N-O 2.99Å; S349-N397 WeakPolarHBondContact OG-CB 3.14Å; S349-N397 PolarHBondContact OG-ND2 3.05Å |
| 398 | T | 58.4 | Low | 57.5 | Low | 62 Ų | 62 | 79.3 Ų | 79.3 | 38% | 0.38 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 120.8 | 159.4 | -52.5 | 0 | 0 | 0 | 0 | 110 | R347 N348 I400 | R347-T398 CarbonylContact O-C 3.55Å; R347-T398 WeakPolarHBondContact O-CA 3.27Å; N348-T398 PolarHBondContact OD1-OG1 2.91Å; T398-I400 HydrophobicContact CG2-CD1 4.38Å; T398-I400 HydrophobicContact CG2-CG1 4.07Å |
| 399 | V | 71.3 | Confident | 59.3 | Low | 74 Ų | 74 | 78.1 Ų | 78.1 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.1 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | R347 I352 T401 | R347-V399 PolarHBondContact N-O 3.41Å; R347-V399 PolarHBondContact O-N 2.84Å; I352-V399 HydrophobicContact CD1-CG2 4.26Å; V399-T401 HydrophobicContact CG1-CG2 4.49Å |
| 400 | I | 80.8 | Confident | 61.3 | Low | 56 Ų | 56 | 78.2 Ų | 78.2 | 29% | 0.287 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 127.5 | 179.8 | -54.6 | 177.5 | 0 | 0 | 0 | 109 | M344 R345 K346 L373 T398 F402 | M344-I400 HydrophobicContact CG-CG2 3.47Å; M344-I400 VanDerWaalsContact CG-CG2 3.47Å; M344-I400 HydrophobicContact SD-CG2 3.8Å; R345-I400 WeakPolarHBondContact O-CA 3.48Å; K346-I400 HydrophobicContact CG-CD1 4.32Å; K346-I400 HydrophobicContact CG-CG1 4.2Å; K346-I400 HydrophobicContact CG-CG2 4.44Å; L373-I400 HydrophobicContact CD2-CB 4.43Å; L373-I400 HydrophobicContact CD2-CD1 3.48Å; L373-I400 VanDerWaalsContact CD2-CD1 3.48Å; L373-I400 HydrophobicContact CD2-CG2 4.2Å; T398-I400 HydrophobicContact CG2-CD1 4.38Å; T398-I400 HydrophobicContact CG2-CG1 4.07Å; I400-F402 HydrophobicContact CG2-CE2 3.98Å; I400-F402 HydrophobicContact CG2-CZ 4.14Å |
| 401 | T | 85.4 | Confident | 63 | Low | 32 Ų | 32 | 73.9 Ų | 73.9 | 20% | 0.196 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 144.7 | 179 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | Y298 R345 R347 V399 | Y298-T401 HydrophobicContact CE2-CG2 4.31Å; R345-T401 WeakPolarHBondContact CB-O 3.31Å; R345-T401 PolarHBondContact N-O 3.36Å; R345-T401 PolarHBondContact O-N 3.05Å; R345-T401 PolarHBondContact O-OG1 2.88Å; R347-T401 PolarHBondContact NH1-OG1 3.26Å; V399-T401 HydrophobicContact CG1-CG2 4.49Å |
| 402 | F | 90.2 | Very high | 64.5 | Low | 3 Ų | 3 | 75 Ų | 75 | 1% | 0.013 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129 | 180 | -64.3 | -95.6 | 0 | 0 | 0 | 110.1 | L295 I297 Y298 L342 V343 M344 L363 P369 L373 I400 | L295-F402 HydrophobicContact CD1-CD2 3.8Å; L295-F402 HydrophobicContact CD1-CE2 3.81Å; L295-F402 HydrophobicContact CD2-CD2 3.83Å; L295-F402 HydrophobicContact CD2-CE2 4.07Å; L295-F402 HydrophobicContact CD2-CG 4.09Å; L295-F402 HydrophobicContact CG-CD2 4.04Å; L295-F402 HydrophobicContact CG-CE2 4.42Å; I297-F402 HydrophobicContact CD1-CB 3.93Å; Y298-F402 PolarHBondContact N-O 3.22Å; L342-F402 HydrophobicContact CD1-CB 4.24Å; L342-F402 HydrophobicContact CD2-CD1 4.12Å; L342-F402 HydrophobicContact CG-CB 4.49Å; L342-F402 HydrophobicContact CG-CD1 4.37Å; V343-F402 CarbonylContact O-C 3.53Å; V343-F402 WeakPolarHBondContact O-CA 3.21Å; M344-F402 HydrophobicContact CB-CD1 4.32Å; M344-F402 HydrophobicContact CB-CE1 4.09Å; M344-F402 HydrophobicContact CE-CE1 3.54Å; M344-F402 HydrophobicContact CE-CZ 3.74Å; M344-F402 HydrophobicContact CG-CD1 4.25Å; M344-F402 HydrophobicContact CG-CE1 3.71Å; M344-F402 HydrophobicContact CG-CZ 3.95Å; M344-F402 HydrophobicContact SD-CE1 4.32Å; M344-F402 HydrophobicContact SD-CZ 4.29Å; L363-F402 HydrophobicContact CD1-CD1 4.07Å; L363-F402 HydrophobicContact CD1-CE1 3.9Å; P369-F402 HydrophobicContact CB-CD1 4.47Å; P369-F402 HydrophobicContact CB-CE1 3.77Å; P369-F402 HydrophobicContact CB-CZ 4.26Å; L373-F402 HydrophobicContact CD1-CE2 3.93Å; L373-F402 HydrophobicContact CD1-CZ 3.78Å; L373-F402 HydrophobicContact CD2-CZ 4.42Å; L373-F402 HydrophobicContact CG-CZ 4.16Å; I400-F402 HydrophobicContact CG2-CE2 3.98Å; I400-F402 HydrophobicContact CG2-CZ 4.14Å |
| 403 | E | 89.3 | Confident | 65.6 | Low | 20 Ų | 20 | 77.1 Ų | 77.1 | 9% | 0.093 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 123 | -172 | -161.3 | -178.2 | 144.2 | 0 | 0 | 110.2 | Y298 Q301 V343 R345 R405 | Y298-E403 CarbonylContact O-C 3.35Å; Y298-E403 WeakPolarHBondContact O-CA 3.43Å; Q301-E403 PolarHBondContact NE2-OE1 2.8Å; V343-E403 HydrophobicContact CB-CB 4.44Å; V343-E403 PolarHBondContact N-O 2.72Å; V343-E403 PolarHBondContact O-N 2.9Å; R345-E403 IonicContact CZ-OE2 3.59Å; R345-E403 IonicContact NE-OE2 2.81Å; R345-E403 IonicContact NH1-OE1 3.72Å; R345-E403 IonicContact NH1-OE2 3.05Å; R345-E403 PolarHBondContact NH1-OE2 3.44Å; E403-R405 HydrophobicContact CG-CG 4.37Å; E403-R405 IonicContact OE1-CZ 2.77Å; E403-R405 VanDerWaalsContact OE1-CZ 3.31Å; E403-R405 IonicContact OE1-NE 2.69Å; E403-R405 PolarHBondContact OE1-NE 3.34Å; E403-R405 IonicContact OE1-NH2 3.82Å; E403-R405 PolarHBondContact OE1-NH2 3.37Å; E403-R405 IonicContact OE2-CZ 2.75Å; E403-R405 IonicContact OE2-NE 3.98Å; E403-R405 IonicContact OE2-NH2 3.71Å; E403-R405 PolarHBondContact OE2-NH2 3.15Å |
| 404 | L | 92 | Very high | 66 | Low | 1 Ų | 1 | 76.4 Ų | 76.4 | 1% | 0.005 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 123 | 175.2 | -178.2 | 70.5 | 0 | 0 | 0 | 109 | I297 Y298 L302 I323 L327 | I297-L404 HydrophobicContact CG2-CB 3.9Å; Y298-L404 PolarHBondContact O-N 3.16Å; L302-L404 HydrophobicContact CD1-CD2 3.97Å; L302-L404 HydrophobicContact CD1-CG 3.9Å; I323-L404 HydrophobicContact CB-CD1 4.44Å; I323-L404 HydrophobicContact CG1-CD1 4.01Å; I323-L404 HydrophobicContact CG2-CD1 4.18Å; L327-L404 HydrophobicContact CD2-CD2 4.14Å; L327-L404 HydrophobicContact CG-CD2 4.45Å |
| 405 | R | 87.9 | Confident | 66.1 | Low | 33 Ų | 33 | 79.9 Ų | 79.9 | 13% | 0.125 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 162.4 | 177.4 | -62 | -171.5 | -174.1 | 150.8 | 10 | 111 | Y340 C341 V343 E360 E403 | Y340-R405 WeakPolarHBondContact CA-O 3.33Å; C341-R405 PolarHBondContact N-O 2.94Å; C341-R405 PolarHBondContact O-N 3.02Å; C341-R405 VanDerWaalsContact O-N 3.09Å; V343-R405 HydrophobicContact CG2-CG 4.34Å; E360-R405 IonicContact OE1-NH2 3.56Å; E360-R405 IonicContact OE2-CZ 3.74Å; E360-R405 IonicContact OE2-NH1 3.67Å; E360-R405 PolarHBondContact OE2-NH1 3.04Å; E360-R405 IonicContact OE2-NH2 2.77Å; E360-R405 PolarHBondContact OE2-NH2 2.69Å; E403-R405 HydrophobicContact CG-CG 4.37Å; E403-R405 IonicContact OE1-CZ 2.77Å; E403-R405 VanDerWaalsContact OE1-CZ 3.31Å; E403-R405 IonicContact OE1-NE 2.69Å; E403-R405 PolarHBondContact OE1-NE 3.34Å; E403-R405 IonicContact OE1-NH2 3.82Å; E403-R405 PolarHBondContact OE1-NH2 3.37Å; E403-R405 IonicContact OE2-CZ 2.75Å; E403-R405 IonicContact OE2-NE 3.98Å; E403-R405 IonicContact OE2-NH2 3.71Å; E403-R405 PolarHBondContact OE2-NH2 3.15Å |
| 406 | A | 87.5 | Confident | 65.7 | Low | 59 Ų | 59 | 78.8 Ų | 78.8 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62 | 141.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 407 | K | 84.7 | Confident | 65.2 | Low | 28 Ų | 28 | 85.9 Ų | 85.9 | 12% | 0.122 | 44% | 0.438 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 126.7 | -178.1 | -149.7 | 160 | -155.2 | 147.7 | 0 | 108.4 | D338 A339 Y340 C341 D365 L411 I412 | D338-K407 WeakPolarHBondContact O-CD 3.39Å; A339-K407 WeakPolarHBondContact O-CB 3.27Å; A339-K407 PolarHBondContact O-N 2.65Å; Y340-K407 WeakPolarHBondContact O-CD 3.39Å; Y340-K407 PolarHBondContact O-NZ 3.42Å; C341-K407 HydrophobicContact CB-CG 4.1Å; D365-K407 VanDerWaalsContact CG-NZ 3.31Å; D365-K407 IonicContact OD1-NZ 3.5Å; D365-K407 PolarHBondContact OD1-NZ 3.42Å; D365-K407 IonicContact OD2-NZ 3.46Å; D365-K407 PolarHBondContact OD2-NZ 3.38Å; K407-L411 HydrophobicContact CG-CB 4.48Å; K407-I412 HydrophobicContact CB-CG1 4.15Å |
| 408 | P | 77.5 | Confident | 64.1 | Low | 43 Ų | 43 | 85.9 Ų | 85.9 | 28% | 0.279 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -55.4 | 143.4 | -179.7 | -27.4 | 35.2 | 0 | 0 | 0 | 111.7 | I362 D410 L411 I412 | I362-P408 HydrophobicContact CD1-CG 4.17Å; P408-D410 PolarHBondContact O-N 3.19Å; P408-L411 HydrophobicContact CG-CD1 4.3Å; P408-L411 CarbonylContact O-C 3.58Å; P408-L411 WeakPolarHBondContact O-CA 3.28Å; P408-L411 PolarHBondContact O-N 3.18Å; P408-I412 PolarHBondContact O-N 3.48Å |
| 409 | P | 63.7 | Low | 62.7 | Low | 99 Ų | 99 | 89.4 Ų | 89.4 | 64% | 0.643 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -26.2 | -174.5 | 23 | -33.8 | 0 | 0 | 0 | 113.5 | L411 | P409-L411 VanDerWaalsContact C-N 3.25Å; P409-L411 PolarHBondContact O-N 3.09Å |
| 410 | D | 64.6 | Low | 60.6 | Low | 132 Ų | 132 | 93.8 Ų | 93.8 | 71% | 0.706 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -12.9 | 175.6 | -50.6 | -33.7 | 0 | 0 | 0 | 113.9 | P408 | P408-D410 PolarHBondContact O-N 3.19Š|
| 411 | L | 58.6 | Low | 58.2 | Low | 57 Ų | 57 | 96.1 Ų | 96.1 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | -9.4 | -179.5 | -64.4 | 176.8 | 0 | 0 | 0 | 113 | I362 K407 P408 P409 K413 Y495 | I362-L411 HydrophobicContact CD1-CD1 3.56Å; K407-L411 HydrophobicContact CG-CB 4.48Å; P408-L411 HydrophobicContact CG-CD1 4.3Å; P408-L411 CarbonylContact O-C 3.58Å; P408-L411 WeakPolarHBondContact O-CA 3.28Å; P408-L411 PolarHBondContact O-N 3.18Å; P409-L411 VanDerWaalsContact C-N 3.25Å; P409-L411 PolarHBondContact O-N 3.09Å; L411-K413 PolarHBondContact O-N 2.94Å; L411-K413 VanDerWaalsContact O-N 3.16Å; L411-Y495 HydrophobicContact CD1-CE2 4.26Å |
| 412 | I | 57.8 | Low | 55.4 | Low | 86 Ų | 86 | 100.8 Ų | 100.8 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | S | Bend | trans | -63.5 | 114.3 | 161.5 | -62.7 | 176.6 | 0 | 0 | 0 | 106.8 | K407 P408 K414 | K407-I412 HydrophobicContact CB-CG1 4.15Å; P408-I412 PolarHBondContact O-N 3.48Å; I412-K414 PolarHBondContact O-N 3.32Å |
| 413 | K | 47.8 | Very low | 52.3 | Low | 190 Ų | 190 | 105.3 Ų | 105.3 | 83% | 0.826 | 55% | 0.552 | S | S | * | * | trans | -60 | 103.7 | 173.5 | -72.8 | 173.8 | -178.3 | 164 | 0 | 108.1 | L411 K415 | L411-K413 PolarHBondContact O-N 2.94Å; L411-K413 VanDerWaalsContact O-N 3.16Å; K413-K415 VanDerWaalsContact C-N 3.27Å; K413-K415 PolarHBondContact O-N 3.02Å | ||
| 414 | K | 34.6 | Very low | 49.3 | Very low | 189 Ų | 189 | 109 Ų | 109 | 82% | 0.822 | 58% | 0.58 | S | S | * | * | trans | -59.5 | 92.3 | 170.6 | -78 | -171.9 | 177.1 | -179 | 0 | 109 | I412 L416 | I412-K414 PolarHBondContact O-N 3.32Å; K414-L416 PolarHBondContact O-N 3.05Å; K414-L416 VanDerWaalsContact O-N 3.13Å | ||
| 415 | K | 31.5 | Very low | 46.1 | Very low | 183 Ų | 183 | 114 Ų | 114 | 80% | 0.796 | 62% | 0.616 | S | S | * | * | trans | -58.7 | 115 | 163.7 | -168.6 | 177.2 | -175.4 | -179.4 | 0 | 105.9 | K413 F417 | K413-K415 VanDerWaalsContact C-N 3.27Å; K413-K415 PolarHBondContact O-N 3.02Å; K415-F417 PolarHBondContact O-N 2.58Å | ||
| 416 | L | 26.6 | Very low | 43.2 | Very low | 147 Ų | 147 | 117.2 Ų | 117.2 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | -62.9 | 93.7 | -174.3 | -85.5 | 157.7 | 0 | 0 | 0 | 110.3 | K414 I418 | K414-L416 PolarHBondContact O-N 3.05Å; K414-L416 VanDerWaalsContact O-N 3.13Å; L416-I418 HydrophobicContact CB-CG1 4.44Å; L416-I418 HydrophobicContact CD2-CD1 4.42Å; L416-I418 HydrophobicContact CD2-CG1 4.26Å; L416-I418 PolarHBondContact O-N 2.79Å; L416-I418 VanDerWaalsContact O-N 3.15Å | ||
| 417 | F | 26.8 | Very low | 40.2 | Very low | 196 Ų | 196 | 119.5 Ų | 119.5 | 86% | 0.86 | 66% | 0.655 | S | S | * | * | trans | -75.3 | 88.1 | 154 | -94.6 | -81.4 | 0 | 0 | 0 | 107.5 | K415 | K415-F417 PolarHBondContact O-N 2.58Š| ||
| 418 | I | 29.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 59% | 0.585 | 69% | 0.686 | S | S | * | * | trans | -78.6 | 145.2 | 158.5 | -73 | 171.8 | 0 | 0 | 0 | 107 | L416 | L416-I418 HydrophobicContact CB-CG1 4.44Å; L416-I418 HydrophobicContact CD2-CD1 4.42Å; L416-I418 HydrophobicContact CD2-CG1 4.26Å; L416-I418 PolarHBondContact O-N 2.79Å; L416-I418 VanDerWaalsContact O-N 3.15Å | ||
| 419 | D | 28.3 | Very low | 34.9 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 72% | 0.722 | 71% | 0.707 | S | S | * | * | trans | 64.9 | 87.3 | 173.5 | -55.1 | -23.2 | 0 | 0 | 0 | 119.1 | ||||
| 420 | L | 27.4 | Very low | 33 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 87% | 0.874 | 72% | 0.715 | S | S | * | * | -113.8 | 140.1 | 114 | -96.7 | 89.6 | 0 | 0 | 0 | 108.1 | |||||
| 421 | P | 30.1 | Very low | 31.1 | Very low | 105 Ų | 105 | 133 Ų | 133 | 68% | 0.682 | 71% | 0.713 | S | S | * | * | -142.5 | 139.6 | 110.4 | 32.7 | -17 | 0 | 0 | 0 | 115.8 | |||||
| 422 | V | 26.2 | Very low | 29.6 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 79% | 0.788 | 73% | 0.732 | S | S | * | * | 37.7 | 122.8 | 117.5 | -174 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 423 | S | 26 | Very low | 28 | Very low | 97 Ų | 97 | 139.7 Ų | 139.7 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -166.2 | 176.4 | 9.5 | 52.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 424 | S | 26.1 | Very low | 26.9 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 68% | 0.678 | 74% | 0.741 | S | S | * | * | trans | 79.3 | 108.2 | 140.5 | 49.3 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 425 | S | 25.8 | Very low | 26.5 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 74% | 0.736 | S | S | * | * | trans | 82.4 | 130.1 | 130.6 | 56.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 426 | S | 26.6 | Very low | 26.3 | Very low | 99 Ų | 99 | 129.1 Ų | 129.1 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | trans | 63.9 | 88.8 | 145.5 | 53.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 427 | S | 24.8 | Very low | 26.2 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | 61.5 | 128.7 | 120.2 | 66 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 428 | S | 24.9 | Very low | 26.2 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | trans | 95.5 | 124.3 | 143.3 | -59.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 429 | N | 25.9 | Very low | 26.2 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 73.4 | 106.4 | 150.2 | -72.5 | -35.7 | 0 | 0 | 0 | 121.5 | ||||
| 430 | R | 24 | Very low | 25.9 | Very low | 212 Ų | 212 | 128 Ų | 128 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | 85.6 | 134.3 | 118.6 | -78.3 | -177.7 | 169.2 | -159.5 | -2.6 | 121.1 | |||||
| 431 | I | 24.1 | Very low | 25.8 | Very low | 130 Ų | 130 | 125.5 Ų | 125.5 | 67% | 0.667 | 73% | 0.729 | S | S | * | * | trans | 88.1 | 112.5 | 132.7 | -77.8 | 171.3 | 0 | 0 | 0 | 119 | ||||
| 432 | V | 26.2 | Very low | 25.6 | Very low | 116 Ų | 116 | 125.2 Ų | 125.2 | 70% | 0.703 | 73% | 0.729 | S | S | * | * | trans | 69.8 | 140.2 | 134 | 166.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 433 | E | 24.2 | Very low | 25.7 | Very low | 166 Ų | 166 | 126.9 Ų | 126.9 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | cis | -166.5 | 174.7 | -19.5 | -118.5 | 171.6 | 176.7 | 0 | 0 | 110.3 | ||||
| 434 | S | 25.9 | Very low | 25.5 | Very low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | 65.1 | 101.9 | 145.3 | 65.6 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 435 | S | 25.7 | Very low | 25.6 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 74% | 0.736 | S | S | * | * | 74 | 145.1 | 104 | -54.1 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 436 | N | 27 | Very low | 25.7 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 73% | 0.732 | S | S | * | * | trans | 79.6 | 142.8 | 144.4 | -66.4 | -7.7 | 0 | 0 | 0 | 119.3 | ||||
| 437 | H | 25.7 | Very low | 25.7 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 61% | 0.606 | 73% | 0.733 | S | S | * | * | cis | -166.9 | 167 | -9.2 | -140.1 | -77.1 | 0 | 0 | 0 | 111.9 | ||||
| 438 | F | 25.4 | Very low | 25.7 | Very low | 179 Ų | 179 | 134.1 Ų | 134.1 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 67 | 157.7 | 159.6 | -70.7 | -62.6 | 0 | 0 | 0 | 118.4 | ||||
| 439 | I | 30 | Very low | 25.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 83% | 0.831 | 73% | 0.728 | S | S | * | * | cis | -126.8 | 164.6 | 7.1 | -64.5 | 174.2 | 0 | 0 | 0 | 110.6 | ||||
| 440 | S | 22.6 | Very low | 25.7 | Very low | 97 Ų | 97 | 137.8 Ų | 137.8 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | trans | -122.6 | 171.6 | 177.5 | 61.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 441 | S | 25.3 | Very low | 25.7 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 73% | 0.732 | S | S | * | * | trans | 77.3 | 154.9 | 167.2 | 88.4 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 442 | S | 26.3 | Very low | 25.7 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | cis | -167.9 | 172.4 | -18.9 | 50.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 443 | L | 26.8 | Very low | 25.6 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 74% | 0.736 | S | S | * | * | trans | 77.9 | 141.7 | 149.8 | -107.5 | 73.6 | 0 | 0 | 0 | 123.7 | ||||
| 444 | C | 23.1 | Very low | 25.7 | Very low | 101 Ų | 101 | 135.2 Ų | 135.2 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | trans | -75.8 | 154.8 | -174.2 | -42.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 445 | N | 26.6 | Very low | 25.6 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | 174.6 | 140.6 | 99.4 | -95.6 | -33.4 | 0 | 0 | 0 | 117 | |||||
| 446 | N | 27.7 | Very low | 25.6 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 68% | 0.679 | 73% | 0.73 | S | S | * | * | trans | 52.7 | 121.2 | 139.3 | -62.5 | -18.1 | 0 | 0 | 0 | 125.1 | ||||
| 447 | H | 26.5 | Very low | 25.7 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | 102.4 | 124 | 123.4 | -89.3 | -41.9 | 0 | 0 | 0 | 123.9 | |||||
| 448 | M | 24.6 | Very low | 25.9 | Very low | 140 Ų | 140 | 140.2 Ų | 140.2 | 69% | 0.69 | 74% | 0.735 | S | S | * | * | trans | 75.5 | 89.5 | 140.4 | -63.5 | -45.7 | -164.9 | 0 | 0 | 122.7 | ||||
| 449 | N | 25.8 | Very low | 25.9 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | 83.6 | 128.3 | 110.5 | -103.6 | -36.5 | 0 | 0 | 0 | 122.8 | |||||
| 450 | K | 25.2 | Very low | 25.9 | Very low | 190 Ų | 190 | 137.7 Ų | 137.7 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | 74.5 | 138.2 | 150.3 | -82.1 | -176.9 | 176.4 | 175.3 | 0 | 121.4 | ||||
| 451 | K | 25.7 | Very low | 26.3 | Very low | 182 Ų | 182 | 141.3 Ų | 141.3 | 79% | 0.791 | 74% | 0.739 | S | S | * | * | trans | 78.3 | 106.4 | 152.4 | -90.8 | -163.7 | 170.3 | -172.4 | 0 | 119.9 | ||||
| 452 | L | 24.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 70% | 0.702 | 73% | 0.732 | S | S | * | * | 78.6 | 110.8 | 118.5 | -117.9 | 77.9 | 0 | 0 | 0 | 119.8 | |||||
| 453 | M | 24.3 | Very low | 26.6 | Very low | 153 Ų | 153 | 143.6 Ų | 143.6 | 75% | 0.754 | 73% | 0.733 | S | S | * | * | 93.4 | 151.6 | 115.7 | -113.9 | 179.5 | 172.8 | 0 | 0 | 121.5 | |||||
| 454 | T | 25 | Very low | 26.6 | Very low | 100 Ų | 100 | 142.8 Ų | 142.8 | 61% | 0.613 | 73% | 0.726 | S | S | * | * | trans | 62.7 | 132.5 | 149.3 | 53.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 455 | N | 24.6 | Very low | 26.8 | Very low | 126 Ų | 126 | 144.1 Ų | 144.1 | 67% | 0.674 | 73% | 0.726 | S | S | * | * | cis | 175.8 | 149.9 | 10 | -111.5 | -9.1 | 0 | 0 | 0 | 110.8 | ||||
| 456 | K | 25.5 | Very low | 26.7 | Very low | 171 Ų | 171 | 142.7 Ų | 142.7 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | trans | 75.2 | 160 | 133.7 | -74.7 | -176.7 | 171.6 | -164.7 | 0 | 123 | ||||
| 457 | I | 28.4 | Very low | 26.6 | Very low | 138 Ų | 138 | 142.8 Ų | 142.8 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | 77.3 | 124.6 | 155.3 | -73.2 | 147.2 | 0 | 0 | 0 | 115 | ||||
| 458 | D | 29.5 | Very low | 26.4 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | cis | -153.9 | -178.3 | -8 | -111 | -14.9 | 0 | 0 | 0 | 113.2 | ||||
| 459 | H | 26 | Very low | 26.3 | Very low | 185 Ų | 185 | 144.7 Ų | 144.7 | 86% | 0.856 | 72% | 0.723 | S | S | * | * | trans | -85.5 | 148.9 | -176.7 | -70.2 | -99.7 | 0 | 0 | 0 | 115.3 | ||||
| 460 | S | 30 | Very low | 26.3 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | -163.6 | 121.9 | 139.1 | 58.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 461 | E | 30.5 | Very low | 26.3 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 81% | 0.808 | 71% | 0.714 | S | S | * | * | trans | 61.6 | 147.1 | 139.4 | -57.6 | -156.8 | 143.6 | 0 | 0 | 121.4 | ||||
| 462 | L | 27.9 | Very low | 26.3 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 64% | 0.639 | 71% | 0.705 | S | S | * | * | cis | -161.5 | 160.5 | -8.8 | -113.2 | 169.5 | 0 | 0 | 0 | 110 | ||||
| 463 | I | 30.4 | Very low | 26.4 | Very low | 139 Ų | 139 | 138.9 Ų | 138.9 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | trans | 62.3 | 129.9 | 152.7 | -76.5 | 154.5 | 0 | 0 | 0 | 118 | ||||
| 464 | M | 26.5 | Very low | 26.5 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | cis | -158.9 | 160.4 | -14.4 | -92.8 | -154.3 | -50.2 | 0 | 0 | 105.8 | ||||
| 465 | L | 28.2 | Very low | 26.5 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | cis | -150.4 | 138.6 | 0.6 | -115.5 | 159.9 | 0 | 0 | 0 | 103.6 | ||||
| 466 | T | 24.8 | Very low | 26.5 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | cis | 51.9 | 144 | 48 | 37 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 467 | I | 24.9 | Very low | 26.6 | Very low | 130 Ų | 130 | 138.4 Ų | 138.4 | 67% | 0.667 | 71% | 0.706 | S | S | * | * | cis | -151 | 145.2 | 10.2 | -144.4 | 153.3 | 0 | 0 | 0 | 111.5 | ||||
| 468 | W | 22 | Very low | 26.4 | Very low | 212 Ų | 212 | 141 Ų | 141 | 80% | 0.803 | 72% | 0.715 | S | S | * | * | trans | 56.1 | 145.8 | 138.8 | -78.8 | 23.2 | 0 | 0 | 0 | 123.3 | ||||
| 469 | L | 22.8 | Very low | 26.2 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | 66.5 | 145.4 | 60.2 | -49.6 | -173 | 0 | 0 | 0 | 112.1 | |||||
| 470 | I | 25.7 | Very low | 26.3 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 59% | 0.59 | 71% | 0.706 | S | S | * | * | cis | -161.4 | -157.4 | -1.4 | -126 | 170.9 | 0 | 0 | 0 | 111.3 | L472 | I470-L472 HydrophobicContact CG2-CD1 4.2Š| ||
| 471 | E | 25.1 | Very low | 26.1 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | trans | 110.9 | 105.4 | 161.1 | -104.5 | 78.8 | -107.6 | 0 | 0 | 113.7 | ||||
| 472 | L | 26.2 | Very low | 25.7 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | 79.2 | 150 | 53.9 | -60 | 175.4 | 0 | 0 | 0 | 112.4 | I470 | I470-L472 HydrophobicContact CG2-CD1 4.2Š| |||
| 473 | D | 26.5 | Very low | 25.7 | Very low | 125 Ų | 125 | 136.7 Ų | 136.7 | 67% | 0.668 | 71% | 0.708 | S | S | * | * | cis | -121.5 | 150.7 | 33.4 | -90.2 | -41.1 | 0 | 0 | 0 | 115.1 | ||||
| 474 | K | 25.3 | Very low | 25.3 | Very low | 148 Ų | 148 | 136.6 Ų | 136.6 | 64% | 0.643 | 71% | 0.708 | S | S | * | * | 61.1 | 141.9 | 86.8 | -52.8 | -172.7 | -166.9 | 101.3 | 0 | 114.1 | |||||
| 475 | V | 26.4 | Very low | 25.2 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 71% | 0.71 | S | S | * | * | cis | -145.9 | 143 | 50 | 168.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 476 | D | 25.2 | Very low | 25.2 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 64% | 0.642 | 72% | 0.721 | S | S | * | * | trans | 2.9 | 143.6 | 148 | -35.6 | -33.6 | 0 | 0 | 0 | 119.3 | ||||
| 477 | N | 27.1 | Very low | 25.2 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | -162.3 | 176.4 | 60.7 | -84.1 | -85.3 | 0 | 0 | 0 | 113.6 | |||||
| 478 | E | 24.4 | Very low | 25.2 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 90% | 0.897 | 73% | 0.727 | S | S | * | * | trans | -67.9 | 173.7 | 171.3 | -55.5 | -167.6 | 103.6 | 0 | 0 | 112.4 | ||||
| 479 | S | 24.6 | Very low | 25.5 | Very low | 107 Ų | 107 | 139 Ų | 139 | 75% | 0.748 | 73% | 0.728 | S | S | * | * | cis | -163.5 | -170.2 | 34.9 | 51.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 480 | D | 29 | Very low | 25.7 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 68% | 0.679 | 73% | 0.733 | S | S | * | * | cis | -151.5 | -127.9 | 13.1 | -169.8 | 55.5 | 0 | 0 | 0 | 112.9 | ||||
| 481 | Q | 24.3 | Very low | 25.7 | Very low | 146 Ų | 146 | 142.5 Ų | 142.5 | 68% | 0.682 | 75% | 0.748 | S | S | * | * | trans | -125.3 | 153.5 | -156.3 | -64.6 | 158.6 | 56.7 | 0 | 0 | 116.6 | ||||
| 482 | S | 23.1 | Very low | 26 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 72.7 | 154.7 | 143.9 | 82.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 483 | L | 26.5 | Very low | 26.3 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | cis | -132.1 | 126.1 | 2 | -75.9 | 169.3 | 0 | 0 | 0 | 108.7 | ||||
| 484 | L | 23.2 | Very low | 26.5 | Very low | 137 Ų | 137 | 142.4 Ų | 142.4 | 72% | 0.717 | 75% | 0.745 | S | S | * | * | 81.1 | 134.8 | 83.6 | -96.3 | -179.6 | 0 | 0 | 0 | 118.2 | |||||
| 485 | Y | 24.5 | Very low | 26.8 | Very low | 201 Ų | 201 | 140.2 Ų | 140.2 | 79% | 0.788 | 73% | 0.734 | S | S | * | * | trans | 67.3 | 92.3 | 168 | -71.4 | -72.4 | 0 | 0 | 0 | 121.6 | ||||
| 486 | L | 28.2 | Very low | 26.9 | Very low | 172 Ų | 172 | 140.1 Ų | 140.1 | 90% | 0.901 | 74% | 0.735 | S | S | * | * | -159.9 | 166.5 | 99.6 | -112.4 | 147.6 | 0 | 0 | 0 | 110.7 | |||||
| 487 | S | 24.4 | Very low | 27 | Very low | 87 Ų | 87 | 139.7 Ų | 139.7 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | trans | -125.3 | 144.1 | -149.8 | 60 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 488 | N | 24.8 | Very low | 27.1 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 84% | 0.84 | 73% | 0.728 | S | S | * | * | trans | 65.8 | 96.2 | 149.9 | -59.8 | -9.9 | 0 | 0 | 0 | 119.7 | ||||
| 489 | I | 27.8 | Very low | 27 | Very low | 160 Ų | 160 | 136.3 Ų | 136.3 | 82% | 0.821 | 73% | 0.725 | S | S | * | * | trans | -129.6 | 136.3 | 142.3 | -62.1 | -177.4 | 0 | 0 | 0 | 106.7 | ||||
| 490 | P | 27.1 | Very low | 27.2 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 74% | 0.74 | 73% | 0.729 | S | S | * | * | trans | -70.2 | 154.8 | 179.8 | 29.3 | -35.5 | 0 | 0 | 0 | 112.6 | E492 | P490-E492 PolarHBondContact O-N 3.05Š| ||
| 491 | Q | 25.7 | Very low | 27 | Very low | 196 Ų | 196 | 141.4 Ų | 141.4 | 92% | 0.916 | 73% | 0.73 | S | S | * | * | trans | -67.9 | 114 | -177.6 | -68.9 | 177.1 | -31.1 | 0 | 0 | 112.5 | ||||
| 492 | E | 31.2 | Very low | 27.1 | Very low | 135 Ų | 135 | 138.1 Ų | 138.1 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | -70.2 | 133.8 | 162.6 | -68.4 | -177.6 | 159.3 | 0 | 0 | 110.1 | P490 V494 | P490-E492 PolarHBondContact O-N 3.05Å; E492-V494 PolarHBondContact O-N 3.08Å | ||
| 493 | K | 32.9 | Very low | 27.4 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 70% | 0.7 | 74% | 0.739 | S | S | * | * | trans | -77.7 | 87 | 176 | -72.6 | -172.1 | 176.7 | -176.7 | 0 | 110.5 | Y495 | K493-Y495 HydrophobicContact CB-CD2 4.22Å; K493-Y495 HydrophobicContact CB-CE2 3.67Å; K493-Y495 HydrophobicContact CD-CE2 4.3Å; K493-Y495 WeakPolarHBondContact O-CD2 3.35Å; K493-Y495 PolarHBondContact O-N 3.1Å | ||
| 494 | V | 31.7 | Very low | 27.3 | Very low | 104 Ų | 104 | 141 Ų | 141 | 63% | 0.63 | 74% | 0.742 | S | S | * | * | trans | -71.2 | 116 | 168 | -178.2 | 0 | 0 | 0 | 0 | 109 | E492 | E492-V494 PolarHBondContact O-N 3.08Š| ||
| 495 | Y | 30.5 | Very low | 27.3 | Very low | 102 Ų | 102 | 143 Ų | 143 | 40% | 0.4 | 75% | 0.745 | S | S | . | * | trans | -98 | 115.4 | 179.3 | -75.2 | -92.8 | 0 | 0 | 0 | 111.1 | L411 K493 | L411-Y495 HydrophobicContact CD1-CE2 4.26Å; K493-Y495 HydrophobicContact CB-CD2 4.22Å; K493-Y495 HydrophobicContact CB-CE2 3.67Å; K493-Y495 HydrophobicContact CD-CE2 4.3Å; K493-Y495 WeakPolarHBondContact O-CD2 3.35Å; K493-Y495 PolarHBondContact O-N 3.1Å | ||
| 496 | P | 28 | Very low | 27.3 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 77% | 0.773 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 137.2 | 168.1 | 30.4 | -32.9 | 0 | 0 | 0 | 110.7 | ||
| 497 | L | 29.3 | Very low | 27.2 | Very low | 110 Ų | 110 | 139 Ų | 139 | 58% | 0.576 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 140 | -177.9 | -80.7 | 166.6 | 0 | 0 | 0 | 112.8 | ||
| 498 | P | 27.3 | Very low | 27.3 | Very low | 112 Ų | 112 | 140 Ų | 140 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 141.2 | 173.1 | -20.6 | 32.8 | 0 | 0 | 0 | 113.1 | H500 | P498-H500 PolarHBondContact O-N 2.96Š|
| 499 | I | 23.8 | Very low | 27.4 | Very low | 161 Ų | 161 | 139 Ų | 139 | 83% | 0.826 | 72% | 0.722 | S | S | * | * | trans | -79.6 | 86.5 | 175.5 | -54.3 | 174.7 | 0 | 0 | 0 | 109.5 | K501 | I499-K501 PolarHBondContact O-N 2.82Å; I499-K501 VanDerWaalsContact O-N 3.14Å | ||
| 500 | H | 28.4 | Very low | 27.3 | Very low | 180 Ų | 180 | 138.3 Ų | 138.3 | 83% | 0.833 | 72% | 0.72 | S | S | * | * | trans | -76.6 | 101.4 | 174.1 | -143.6 | -59.6 | 0 | 0 | 0 | 110.6 | P498 | P498-H500 PolarHBondContact O-N 2.96Š| ||
| 501 | K | 25.1 | Very low | 27.4 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 70% | 0.7 | 72% | 0.72 | S | S | * | * | trans | -63.5 | 134.8 | 166.9 | -68.3 | -179.5 | 178.9 | 178.5 | 0 | 108.8 | I499 | I499-K501 PolarHBondContact O-N 2.82Å; I499-K501 VanDerWaalsContact O-N 3.14Å | ||
| 502 | G | 25.1 | Very low | 27.4 | Very low | 77 Ų | 77 | 136.1 Ų | 136.1 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | -91.2 | 114.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 503 | T | 29.5 | Very low | 27.2 | Very low | 133 Ų | 133 | 136.3 Ų | 136.3 | 82% | 0.816 | 71% | 0.713 | S | S | * | * | trans | -109.9 | 131.4 | 168.4 | 43.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 504 | H | 24.3 | Very low | 26.9 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 85% | 0.847 | 72% | 0.715 | S | S | * | * | trans | -56.4 | 145.7 | 171.1 | -65.7 | -110.1 | 0 | 0 | 0 | 110 | ||||
| 505 | K | 24.7 | Very low | 26.7 | Very low | 179 Ų | 179 | 135.2 Ų | 135.2 | 78% | 0.778 | 71% | 0.712 | S | S | * | * | -172.9 | 154.6 | 70.6 | -86.1 | -179.5 | -179.1 | 174.7 | 0 | 112.3 | |||||
| 506 | N | 24.4 | Very low | 26.5 | Very low | 132 Ų | 132 | 136.9 Ų | 136.9 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | 56 | 135.7 | 141.8 | -61.1 | 7.7 | 0 | 0 | 0 | 121.8 | ||||
| 507 | H | 26.2 | Very low | 26.4 | Very low | 157 Ų | 157 | 137.7 Ų | 137.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 40.9 | 135.7 | 137.4 | -71.1 | -62 | 0 | 0 | 0 | 119.9 | ||||
| 508 | Q | 26.3 | Very low | 26.3 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 51% | 0.505 | 74% | 0.737 | S | S | . | * | cis | 165.8 | 143.8 | 12 | 167 | 166.4 | -6.6 | 0 | 0 | 104.9 | K998 | Q508-K998 VanDerWaalsContact OE1-NZ 3.09Š| ||
| 509 | N | 26.4 | Very low | 26.3 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | trans | 56 | 116.2 | 157.5 | -68.4 | 17.9 | 0 | 0 | 0 | 120.6 | ||||
| 510 | D | 26 | Very low | 26.5 | Very low | 146 Ų | 146 | 137.5 Ų | 137.5 | 78% | 0.781 | 73% | 0.727 | S | S | * | * | -29 | 138.4 | 128.3 | -71.7 | -46.4 | 0 | 0 | 0 | 113.2 | |||||
| 511 | L | 27.7 | Very low | 26.6 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 73% | 0.728 | 72% | 0.723 | S | S | * | * | cis | -158.1 | 174.9 | 27.5 | -112.5 | 148.3 | 0 | 0 | 0 | 112 | ||||
| 512 | D | 27.4 | Very low | 26.7 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 67% | 0.668 | 72% | 0.722 | S | S | * | * | trans | 68 | 90.2 | 155.3 | -61.5 | -33.7 | 0 | 0 | 0 | 122.1 | ||||
| 513 | L | 25.7 | Very low | 26.9 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 73% | 0.728 | 72% | 0.717 | S | S | * | * | 47.5 | 119.3 | 111.4 | -73.9 | 157.7 | 0 | 0 | 0 | 121.5 | |||||
| 514 | H | 26.5 | Very low | 26.7 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 75% | 0.75 | 71% | 0.709 | S | S | * | * | trans | 74.4 | 85.5 | 141.9 | -80.4 | -50.9 | 0 | 0 | 0 | 122.1 | ||||
| 515 | S | 27.3 | Very low | 26.8 | Very low | 80 Ų | 80 | 132.3 Ų | 132.3 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | 82.7 | 130.9 | 103.2 | 70 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 516 | N | 27.5 | Very low | 26.8 | Very low | 137 Ų | 137 | 129.9 Ų | 129.9 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | trans | 69.4 | 151.9 | 140.9 | -61.1 | -6.8 | 0 | 0 | 0 | 118.8 | ||||
| 517 | M | 25.7 | Very low | 26.8 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 67% | 0.67 | 69% | 0.694 | S | S | * | * | cis | -164 | 145 | -24.4 | -111.9 | -165.8 | -169 | 0 | 0 | 108 | ||||
| 518 | N | 27.2 | Very low | 26.8 | Very low | 166 Ų | 166 | 130.2 Ų | 130.2 | 89% | 0.888 | 70% | 0.695 | S | S | * | * | trans | -118.5 | 116.4 | 151.3 | -76.2 | -32.5 | 0 | 0 | 0 | 105.3 | ||||
| 519 | L | 26.7 | Very low | 26.8 | Very low | 143 Ų | 143 | 130.7 Ų | 130.7 | 75% | 0.749 | 71% | 0.706 | S | S | * | * | cis | 67.2 | 141.3 | 28 | -126.3 | 77.5 | 0 | 0 | 0 | 111.8 | ||||
| 520 | A | 28.8 | Very low | 26.7 | Very low | 70 Ų | 70 | 130 Ų | 130 | 58% | 0.579 | 71% | 0.707 | S | S | * | * | cis | -141.9 | -176 | 9.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 521 | N | 29.4 | Very low | 27 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 70% | 0.7 | S | S | * | * | cis | -140.4 | 157.5 | 24.5 | -79.9 | -62.9 | 0 | 0 | 0 | 111 | ||||
| 522 | S | 27.4 | Very low | 26.9 | Very low | 97 Ų | 97 | 127.2 Ų | 127.2 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | 65.8 | 134.6 | 52.7 | 145.7 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 523 | K | 29.4 | Very low | 26.9 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | cis | -164.6 | 170.6 | 3.7 | -114.2 | -159.7 | 160.7 | -148.5 | 0 | 107.2 | E525 | K523-E525 VanDerWaalsContact CE-OE1 3.23Å; K523-E525 WeakPolarHBondContact CE-OE1 3.28Å; K523-E525 IonicContact NZ-OE1 3.72Å; K523-E525 PolarHBondContact NZ-OE1 2.79Å; K523-E525 IonicContact NZ-OE2 3.04Å | ||
| 524 | T | 26.7 | Very low | 27.1 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 66% | 0.663 | 70% | 0.704 | S | S | * | * | cis | -168.7 | -149 | -34.7 | 28.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 525 | E | 25.1 | Very low | 27.2 | Very low | 121 Ų | 121 | 123.5 Ų | 123.5 | 57% | 0.565 | 70% | 0.702 | S | S | * | * | cis | -164.6 | 160 | 0.8 | -139.6 | 149.9 | -86.7 | 0 | 0 | 110.1 | K523 | K523-E525 VanDerWaalsContact CE-OE1 3.23Å; K523-E525 WeakPolarHBondContact CE-OE1 3.28Å; K523-E525 IonicContact NZ-OE1 3.72Å; K523-E525 PolarHBondContact NZ-OE1 2.79Å; K523-E525 IonicContact NZ-OE2 3.04Å | ||
| 526 | N | 25.6 | Very low | 27 | Very low | 128 Ų | 128 | 125.4 Ų | 125.4 | 68% | 0.684 | 71% | 0.711 | S | S | * | * | trans | 69.9 | 108.5 | 151.6 | -77.5 | -15.7 | 0 | 0 | 0 | 126.6 | ||||
| 527 | I | 25.2 | Very low | 27.2 | Very low | 149 Ų | 149 | 125.4 Ų | 125.4 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 62.6 | 145.9 | 135 | -24.3 | 170.4 | 0 | 0 | 0 | 121.6 | ||||
| 528 | I | 25.5 | Very low | 27.2 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 75% | 0.749 | 72% | 0.716 | S | S | * | * | trans | 92.4 | 123.1 | 158.2 | -46.8 | -173 | 0 | 0 | 0 | 117.8 | ||||
| 529 | T | 26.4 | Very low | 27 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 72% | 0.724 | 71% | 0.711 | S | S | * | * | trans | 34.2 | 117.8 | 161.9 | 65 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 530 | T | 23.8 | Very low | 27 | Very low | 122 Ų | 122 | 118.6 Ų | 118.6 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | -5.7 | 161.5 | 119.2 | 51.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 531 | P | 33.3 | Very low | 26.8 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 63% | 0.63 | 71% | 0.71 | S | S | * | * | cis | -147.2 | -169.1 | -28.9 | 41.7 | -22.9 | 0 | 0 | 0 | 114.8 | ||||
| 532 | T | 24.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 121.9 Ų | 121.9 | 79% | 0.785 | 71% | 0.708 | S | S | * | * | trans | 67.7 | 164.7 | 156.6 | 57.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 533 | T | 27.9 | Very low | 27.2 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 68% | 0.675 | 72% | 0.715 | S | S | * | * | cis | -143.8 | 154.1 | 20.3 | 37.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 534 | T | 28.7 | Very low | 27.3 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | trans | 66.1 | 148.5 | 145.4 | 50.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 535 | T | 29.3 | Very low | 27.2 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 72% | 0.718 | S | S | * | * | cis | -149.9 | 128.5 | 3.1 | -1.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 536 | T | 23.5 | Very low | 27.1 | Very low | 121 Ų | 121 | 123.7 Ų | 123.7 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | 20.5 | 119.4 | 136.6 | 60.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 537 | T | 30.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 125.6 Ų | 125.6 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | -163.7 | 142.3 | 119.1 | 28.9 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 538 | A | 26.5 | Very low | 27 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 72% | 0.715 | S | S | * | * | 61.8 | 137.2 | 61.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 539 | C | 23.1 | Very low | 27.1 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 78% | 0.777 | 72% | 0.718 | S | S | * | * | cis | -169.6 | -174.6 | -3.8 | -133 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 540 | V | 27.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | trans | 67.6 | 103.6 | 143.6 | 166 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 541 | N | 24.5 | Very low | 27.7 | Very low | 126 Ų | 126 | 122.9 Ų | 122.9 | 67% | 0.674 | 72% | 0.719 | S | S | * | * | 64.7 | 166.2 | 123.7 | -52.9 | -2.3 | 0 | 0 | 0 | 124.1 | |||||
| 542 | H | 28.5 | Very low | 27.3 | Very low | 154 Ų | 154 | 123.9 Ų | 123.9 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 83 | 96.9 | 152.9 | -63.6 | -58.9 | 0 | 0 | 0 | 120.2 | ||||
| 543 | K | 36.8 | Very low | 27.7 | Very low | 187 Ų | 187 | 123.9 Ų | 123.9 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | -52.6 | 136.4 | 120.7 | -84.7 | -175.9 | 173 | -178.1 | 0 | 108.8 | |||||
| 544 | P | 30.7 | Very low | 27.8 | Very low | 101 Ų | 101 | 124.6 Ų | 124.6 | 66% | 0.656 | 72% | 0.723 | S | S | * | * | -122.9 | 164.1 | 102.8 | 38.9 | -31.7 | 0 | 0 | 0 | 110 | |||||
| 545 | H | 24.3 | Very low | 28 | Very low | 164 Ų | 164 | 125.7 Ų | 125.7 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | 58.4 | 139.2 | 51.7 | -80.9 | -86.9 | 0 | 0 | 0 | 113.1 | |||||
| 546 | S | 23.5 | Very low | 28 | Very low | 70 Ų | 70 | 123 Ų | 123 | 49% | 0.49 | 72% | 0.719 | S | S | . | * | cis | -172.9 | -169.3 | -26.3 | 39.2 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 547 | F | 25.5 | Very low | 28.2 | Very low | 168 Ų | 168 | 123.3 Ų | 123.3 | 74% | 0.737 | 73% | 0.726 | S | S | * | * | trans | 75.1 | 116.3 | 175.3 | -58 | -75.6 | 0 | 0 | 0 | 113.3 | ||||
| 548 | D | 23.1 | Very low | 28 | Very low | 138 Ų | 138 | 121 Ų | 121 | 74% | 0.738 | 72% | 0.721 | S | S | * | * | 81.5 | 140.2 | 70.6 | -66.2 | 10.1 | 0 | 0 | 0 | 109.8 | |||||
| 549 | S | 27.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 81% | 0.811 | 72% | 0.72 | S | S | * | * | cis | -151 | 156.7 | 48 | -55.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 550 | C | 26 | Very low | 28 | Very low | 109 Ų | 109 | 126.6 Ų | 126.6 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | trans | -77.9 | 171.1 | 162.1 | -52 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 551 | P | 36.8 | Very low | 27.8 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 75% | 0.747 | 72% | 0.719 | S | S | * | * | -102.2 | 131.7 | 126 | 32.4 | -29.6 | 0 | 0 | 0 | 109 | |||||
| 552 | T | 25.5 | Very low | 27.9 | Very low | 118 Ų | 118 | 129.5 Ų | 129.5 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | cis | 72.5 | 149 | 41.6 | 75 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 553 | V | 32.1 | Very low | 27.6 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 78% | 0.782 | 72% | 0.721 | S | S | * | * | trans | 79.8 | 113.5 | -166.5 | -173.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 554 | D | 30.3 | Very low | 27.2 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 67% | 0.668 | 72% | 0.716 | S | S | * | * | cis | -153.6 | 149.6 | 2.6 | -123.5 | 7.7 | 0 | 0 | 0 | 115.2 | ||||
| 555 | N | 32 | Very low | 27.1 | Very low | 144 Ų | 144 | 125.6 Ų | 125.6 | 77% | 0.77 | 72% | 0.718 | S | S | * | * | trans | 28 | 138.6 | 148.1 | -53.9 | -42.4 | 0 | 0 | 0 | 122.5 | ||||
| 556 | G | 29.8 | Very low | 27.2 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 61% | 0.608 | 72% | 0.718 | S | S | * | * | cis | 144.4 | 154.7 | -8.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 557 | S | 27.4 | Very low | 27.4 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 90% | 0.895 | 72% | 0.721 | S | S | * | * | trans | 68.3 | 156.7 | 162.8 | 80.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 558 | A | 26.9 | Very low | 27.6 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 74% | 0.736 | 72% | 0.724 | S | S | * | * | cis | -163.3 | 176.2 | -19.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 559 | T | 24 | Very low | 27.7 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 66% | 0.663 | 72% | 0.719 | S | S | * | * | trans | -39.5 | 156.9 | 166.4 | 45.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 560 | Y | 24.9 | Very low | 27.7 | Very low | 206 Ų | 206 | 122.7 Ų | 122.7 | 81% | 0.808 | 72% | 0.715 | S | S | * | * | -162.4 | 158.2 | 68.4 | -94.9 | -86.3 | 0 | 0 | 0 | 116.7 | |||||
| 561 | T | 23.5 | Very low | 27.7 | Very low | 94 Ų | 94 | 123.3 Ų | 123.3 | 58% | 0.577 | 71% | 0.711 | S | S | * | * | trans | -24.7 | 160.3 | 153.6 | 55 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 562 | Y | 25.8 | Very low | 27.1 | Very low | 198 Ų | 198 | 123.8 Ų | 123.8 | 78% | 0.776 | 71% | 0.707 | S | S | * | * | cis | -139.3 | 148.2 | 49 | -88.9 | -112 | 0 | 0 | 0 | 110.9 | ||||
| 563 | S | 23.4 | Very low | 27.2 | Very low | 94 Ų | 94 | 125.2 Ų | 125.2 | 66% | 0.657 | 71% | 0.71 | S | S | * | * | 52.6 | 130.2 | 78.3 | -40.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 564 | I | 28.2 | Very low | 26.9 | Very low | 138 Ų | 138 | 124.8 Ų | 124.8 | 71% | 0.708 | 71% | 0.712 | S | S | * | * | -171.3 | 133 | 83.7 | -99.3 | 171.9 | 0 | 0 | 0 | 110.8 | |||||
| 565 | N | 27.7 | Very low | 26.9 | Very low | 127 Ų | 127 | 124.7 Ų | 124.7 | 68% | 0.679 | 72% | 0.718 | S | S | * | * | trans | 58.3 | 158.1 | 141.3 | -60.1 | 41.1 | 0 | 0 | 0 | 120.9 | ||||
| 566 | D | 27.7 | Very low | 26.5 | Very low | 144 Ų | 144 | 123 Ų | 123 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | cis | -155.2 | 168.9 | -7.7 | -127.9 | -37.9 | 0 | 0 | 0 | 113.2 | ||||
| 567 | G | 28.3 | Very low | 26.9 | Very low | 53 Ų | 53 | 124.8 Ų | 124.8 | 55% | 0.546 | 72% | 0.718 | S | S | . | * | trans | 82.4 | 108.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 568 | S | 28.2 | Very low | 26.7 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | 74.1 | 149.8 | 72.7 | 90.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 569 | N | 24.6 | Very low | 26.5 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 64% | 0.642 | 71% | 0.708 | S | S | * | * | cis | -171.4 | 149.3 | -12 | -129.4 | -40.1 | 0 | 0 | 0 | 107.4 | ||||
| 570 | K | 28.9 | Very low | 26.5 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 72% | 0.717 | 71% | 0.71 | S | S | * | * | trans | 63.7 | 169.6 | 152.9 | -63.3 | 164.1 | -171.2 | 174.6 | 0 | 115.4 | ||||
| 571 | N | 24.8 | Very low | 26.6 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 65% | 0.652 | 70% | 0.701 | S | S | * | * | cis | -157.5 | 152.2 | -30.8 | -107.1 | 6.7 | 0 | 0 | 0 | 109.2 | ||||
| 572 | N | 25.4 | Very low | 26.8 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 67% | 0.668 | 71% | 0.707 | S | S | * | * | trans | 67.1 | 146.5 | 140 | -63 | 6.4 | 0 | 0 | 0 | 122.5 | ||||
| 573 | N | 27.3 | Very low | 26.9 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 79% | 0.786 | 70% | 0.7 | S | S | * | * | trans | 80.9 | 102 | 143.7 | -67.5 | 3.1 | 0 | 0 | 0 | 121.5 | ||||
| 574 | C | 26.3 | Very low | 27.1 | Very low | 121 Ų | 121 | 126.7 Ų | 126.7 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | -43.3 | 151.4 | 128.7 | -80.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 575 | P | 29.5 | Very low | 27.1 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 80% | 0.799 | 70% | 0.698 | S | S | * | * | -148.3 | 175.8 | 65.6 | 41.5 | -22.5 | 0 | 0 | 0 | 117.9 | |||||
| 576 | S | 24.1 | Very low | 27 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | trans | -76.6 | -169 | 161.5 | -28.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 577 | P | 38.1 | Very low | 27.1 | Very low | 98 Ų | 98 | 125.7 Ų | 125.7 | 64% | 0.636 | 70% | 0.7 | S | S | * | * | cis | -136.2 | -163.4 | -14.3 | 40.9 | -22.2 | 0 | 0 | 0 | 113.5 | ||||
| 578 | Q | 23.3 | Very low | 26.9 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 80% | 0.799 | 71% | 0.713 | S | S | * | * | trans | 69.8 | 164.4 | 155.3 | -70.6 | 174.1 | -5.5 | 0 | 0 | 116.9 | ||||
| 579 | L | 22.4 | Very low | 27.2 | Very low | 117 Ų | 117 | 131 Ų | 131 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | cis | -153.2 | 151.9 | 3.4 | -153.3 | 79.7 | 0 | 0 | 0 | 111.7 | ||||
| 580 | F | 25.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 130 Ų | 130 | 72% | 0.719 | 72% | 0.715 | S | S | * | * | trans | 65.5 | 138.6 | 148.2 | -81.6 | -163.5 | 0 | 0 | 0 | 125.3 | ||||
| 581 | D | 25.6 | Very low | 27.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 62% | 0.62 | 72% | 0.716 | S | S | * | * | trans | 64.5 | 154.5 | 135 | -57.3 | -6 | 0 | 0 | 0 | 122.1 | ||||
| 582 | H | 28.5 | Very low | 27.1 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 70% | 0.704 | 72% | 0.721 | S | S | * | * | cis | -155.6 | 153.8 | -2.9 | -126.2 | -53.3 | 0 | 0 | 0 | 111.1 | ||||
| 583 | D | 27.6 | Very low | 27.2 | Very low | 115 Ų | 115 | 130.6 Ų | 130.6 | 62% | 0.615 | 73% | 0.729 | S | S | * | * | trans | 53.6 | 117.6 | 140.4 | -79.8 | 31 | 0 | 0 | 0 | 126.6 | ||||
| 584 | N | 27.4 | Very low | 27.1 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 65% | 0.652 | 73% | 0.731 | S | S | * | * | 79.5 | 130.4 | 118.4 | -74.7 | -38.1 | 0 | 0 | 0 | 126.2 | |||||
| 585 | N | 28 | Very low | 27 | Very low | 126 Ų | 126 | 131 Ų | 131 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | trans | 87 | 105.1 | 134.8 | -71.1 | -24.8 | 0 | 0 | 0 | 125.2 | ||||
| 586 | N | 26.3 | Very low | 26.8 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 72% | 0.717 | 72% | 0.719 | S | S | * | * | 92.4 | 149.4 | 120.4 | -66.2 | -27.1 | 0 | 0 | 0 | 125.4 | |||||
| 587 | T | 28.7 | Very low | 26.9 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 78% | 0.779 | 72% | 0.718 | S | S | * | * | trans | 67.3 | 103.4 | 158.2 | 33.4 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 588 | I | 25 | Very low | 26.4 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 81% | 0.81 | 72% | 0.723 | S | S | * | * | 51.2 | 129.7 | 65.6 | -59.2 | 177.6 | 0 | 0 | 0 | 112.6 | |||||
| 589 | P | 33.6 | Very low | 26.5 | Very low | 121 Ų | 121 | 132.8 Ų | 132.8 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | cis | -137.3 | -177.8 | 24.7 | 27.5 | -1.6 | 0 | 0 | 0 | 119.4 | ||||
| 590 | S | 24.8 | Very low | 26.8 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 73% | 0.727 | S | S | * | * | trans | -65.2 | 158.4 | 179.9 | 55.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 591 | T | 27.2 | Very low | 26.9 | Very low | 123 Ų | 123 | 133.1 Ų | 133.1 | 76% | 0.755 | 73% | 0.732 | S | S | * | * | 174.7 | 148.7 | 106.9 | 30.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 592 | N | 25.5 | Very low | 26.9 | Very low | 141 Ų | 141 | 133.2 Ų | 133.2 | 75% | 0.754 | 74% | 0.742 | S | S | * | * | trans | 16 | 147.2 | 144.4 | -57.7 | -36 | 0 | 0 | 0 | 121.4 | ||||
| 593 | L | 27.1 | Very low | 26.9 | Very low | 161 Ų | 161 | 129 Ų | 129 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | cis | -154.4 | 175.6 | 36.8 | -104.2 | 112.8 | 0 | 0 | 0 | 115.2 | ||||
| 594 | K | 24.9 | Very low | 26.8 | Very low | 188 Ų | 188 | 129.3 Ų | 129.3 | 82% | 0.817 | 75% | 0.751 | S | S | * | * | trans | -61.3 | 179.1 | 166.5 | -53 | 166.9 | -177.4 | 176.2 | 0 | 112.8 | ||||
| 595 | S | 24.8 | Very low | 26.7 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 62% | 0.622 | 75% | 0.75 | S | S | * | * | cis | -173 | 167.5 | 31.2 | -26.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 596 | T | 25.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 129 Ų | 129 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 62.5 | 154.5 | 148.3 | 55.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 597 | N | 25.6 | Very low | 26.7 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | cis | -162.5 | 168.6 | -17 | -92.2 | -12.3 | 0 | 0 | 0 | 106.8 | ||||
| 598 | V | 26.5 | Very low | 26.6 | Very low | 123 Ų | 123 | 129.4 Ų | 129.4 | 75% | 0.745 | 76% | 0.758 | S | S | * | * | 163.4 | 125.5 | 90.4 | 156.9 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 599 | L | 25.7 | Very low | 26.7 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | trans | 60.3 | 158.3 | 152.6 | -101.3 | 62.2 | 0 | 0 | 0 | 120.4 | ||||
| 600 | I | 29 | Very low | 26.2 | Very low | 133 Ų | 133 | 128.8 Ų | 128.8 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -142.9 | 144.3 | 6.4 | -53.4 | -179.7 | 0 | 0 | 0 | 112.1 | ||||
| 601 | D | 27 | Very low | 26.3 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | 53.8 | 160.4 | 152.1 | -59.3 | -11.6 | 0 | 0 | 0 | 128.9 | ||||
| 602 | S | 27 | Very low | 26.3 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 83% | 0.832 | 77% | 0.766 | S | S | * | * | trans | -71 | 173 | -177.1 | 51.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 603 | G | 27.2 | Very low | 26.1 | Very low | 63 Ų | 63 | 135.2 Ų | 135.2 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | cis | 144.2 | 166.4 | -4.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 604 | S | 25.8 | Very low | 26.1 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | trans | 68.3 | 159.5 | 178.7 | 89.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 605 | S | 24.5 | Very low | 26.2 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | cis | -163.6 | 176.4 | -24.6 | 49 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 606 | N | 26.3 | Very low | 26.2 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | 69.2 | 96.8 | 165 | -57.4 | -23.4 | 0 | 0 | 0 | 119.6 | ||||
| 607 | L | 29.8 | Very low | 26.3 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | trans | -151.5 | 41.8 | 145.3 | -128.3 | 173.8 | 0 | 0 | 0 | 114 | N609 | L607-N609 PolarHBondContact O-N 3.4Å; L607-N609 VanDerWaalsContact O-N 3.07Å | ||
| 608 | V | 26.5 | Very low | 26.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 83% | 0.83 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 88.7 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | ||
| 609 | N | 25.5 | Very low | 26.5 | Very low | 154 Ų | 154 | 135.6 Ų | 135.6 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 175.9 | -14.9 | 149.2 | -92.3 | -21.9 | 0 | 0 | 0 | 114.5 | L607 | L607-N609 PolarHBondContact O-N 3.4Å; L607-N609 VanDerWaalsContact O-N 3.07Å |
| 610 | T | 24.9 | Very low | 27 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | trans | -113.5 | 52 | -164.9 | -37.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 611 | I | 26.8 | Very low | 27.3 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | -139.3 | 70.8 | 165.9 | -47.4 | 178.6 | 0 | 0 | 0 | 110.1 | ||||
| 612 | Y | 25.5 | Very low | 27.2 | Very low | 236 Ų | 236 | 132.6 Ų | 132.6 | 93% | 0.925 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -146.8 | 19.7 | 168.1 | -110.3 | -73.6 | 0 | 0 | 0 | 115.6 | ||
| 613 | S | 22.7 | Very low | 27.2 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -160.5 | 153.1 | 158.1 | 62.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 614 | V | 26.6 | Very low | 27.3 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | 60.7 | 84.2 | 169 | -162.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 615 | I | 26.6 | Very low | 27.3 | Very low | 170 Ų | 170 | 138.1 Ų | 138.1 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | -134.4 | 122.3 | 126.1 | -62.3 | -174.8 | 0 | 0 | 0 | 107.8 | |||||
| 616 | T | 25.3 | Very low | 27.4 | Very low | 116 Ų | 116 | 142.7 Ų | 142.7 | 71% | 0.712 | 76% | 0.762 | S | S | * | * | trans | -149.2 | 143.7 | 165 | 56.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 617 | K | 27.8 | Very low | 27.5 | Very low | 167 Ų | 167 | 141.3 Ų | 141.3 | 73% | 0.726 | 76% | 0.761 | S | S | * | * | trans | 78.3 | 147.3 | 165.9 | -66.3 | 179.5 | -179.6 | -178.3 | 0 | 116.6 | ||||
| 618 | T | 28 | Very low | 27.2 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 76% | 0.761 | 76% | 0.755 | S | S | * | * | cis | -144.9 | 148.1 | 8.9 | 9.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 619 | D | 27.2 | Very low | 27.3 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | cis | -179.4 | -43.6 | -18.3 | -109.7 | 12 | 0 | 0 | 0 | 113.8 | ||||
| 620 | P | 36.4 | Very low | 27.4 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | -106.8 | 165.8 | -142.5 | 40.3 | -40.8 | 0 | 0 | 0 | 117.1 | ||||
| 621 | P | 35.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | cis | -139.1 | 161.3 | -33.7 | 38.2 | -23 | 0 | 0 | 0 | 114.8 | ||||
| 622 | I | 26.5 | Very low | 28.3 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | -166.6 | 125.5 | 124.6 | -100.6 | 157.6 | 0 | 0 | 0 | 110.6 | |||||
| 623 | H | 26.5 | Very low | 28.6 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 72% | 0.718 | 70% | 0.697 | S | S | * | * | trans | 38.9 | 125 | 162.3 | -79.2 | -69.5 | 0 | 0 | 0 | 124.6 | ||||
| 624 | N | 29.4 | Very low | 29.2 | Very low | 123 Ų | 123 | 121.1 Ų | 121.1 | 66% | 0.658 | 68% | 0.684 | S | S | * | * | trans | 86.6 | 81.5 | 130.3 | -64.1 | -9.3 | 0 | 0 | 0 | 121.4 | ||||
| 625 | N | 24.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 117.9 Ų | 117.9 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | 59.6 | 116.4 | 106.6 | -72.5 | -37.2 | 0 | 0 | 0 | 121.8 | |||||
| 626 | K | 26.4 | Very low | 30.4 | Very low | 188 Ų | 188 | 112.9 Ų | 112.9 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | trans | 95 | 144.4 | 139.5 | -74.1 | -176.1 | 174.7 | 179.8 | 0 | 119.6 | ||||
| 627 | P | 28.3 | Very low | 31.2 | Very low | 121 Ų | 121 | 111.8 Ų | 111.8 | 79% | 0.786 | 64% | 0.641 | S | S | * | * | trans | -106.5 | 159.1 | -169.2 | 40.9 | -34.4 | 0 | 0 | 0 | 114.5 | ||||
| 628 | G | 25.2 | Very low | 31.8 | Very low | 55 Ų | 55 | 108.2 Ų | 108.2 | 57% | 0.567 | 63% | 0.63 | S | S | * | * | trans | 173.4 | 121.9 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 629 | S | 28.9 | Very low | 32.4 | Very low | 66 Ų | 66 | 105.2 Ų | 105.2 | 46% | 0.462 | 61% | 0.605 | S | S | . | * | trans | -173.4 | 95.3 | 158.6 | -173.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 630 | T | 26.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 101.3 Ų | 101.3 | 62% | 0.62 | 58% | 0.584 | S | S | * | * | trans | -92.7 | 116.1 | 162.7 | -4.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 631 | S | 35.3 | Very low | 33.2 | Very low | 71 Ų | 71 | 100.4 Ų | 100.4 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | trans | -106.7 | 139.5 | -169.5 | 56.3 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 632 | P | 35.5 | Very low | 33.3 | Very low | 101 Ų | 101 | 99.3 Ų | 99.3 | 66% | 0.656 | 57% | 0.572 | S | S | * | * | trans | -79.6 | 163.2 | 177.7 | 32.7 | -35 | 0 | 0 | 0 | 112.9 | ||||
| 633 | K | 30.9 | Very low | 34.2 | Very low | 134 Ų | 134 | 95.4 Ų | 95.4 | 58% | 0.583 | 55% | 0.55 | S | S | * | * | trans | -72.9 | 132.4 | -168 | -58.1 | 164.7 | -175.2 | -168.7 | 0 | 111.8 | D693 | K633-D693 HydrophobicContact CD-CB 4.12Å; K633-D693 VanDerWaalsContact CD-OD2 3.3Å; K633-D693 WeakPolarHBondContact CD-OD2 3.36Å; K633-D693 WeakPolarHBondContact CE-OD1 3.18Å; K633-D693 VanDerWaalsContact CE-OD2 3.24Å; K633-D693 WeakPolarHBondContact CE-OD2 3.36Å; K633-D693 HydrophobicContact CG-CB 4.41Å; K633-D693 IonicContact NZ-OD1 2.86Å; K633-D693 PolarHBondContact NZ-OD1 2.9Å; K633-D693 IonicContact NZ-OD2 3.71Å; K633-D693 PolarHBondContact NZ-OD2 3.08Å | ||
| 634 | T | 35.6 | Very low | 35 | Very low | 81 Ų | 81 | 93 Ų | 93 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | trans | -112.1 | 154.5 | 175.1 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | R639 | T634-R639 PolarHBondContact O-NE 2.89Å; T634-R639 PolarHBondContact OG1-NE 3.12Å; T634-R639 PolarHBondContact OG1-NH2 3.09Å | ||
| 635 | S | 38.5 | Very low | 35.6 | Very low | 62 Ų | 62 | 91.2 Ų | 91.2 | 43% | 0.434 | 54% | 0.543 | S | S | . | . | trans | -62.1 | 142.9 | -174.5 | -6.5 | 0 | 0 | 0 | 0 | 112.4 | S637 D638 R639 | S635-S637 PolarHBondContact O-N 2.83Å; S635-D638 WeakPolarHBondContact CB-OD2 3.3Å; S635-D638 PolarHBondContact O-N 2.9Å; S635-D638 PolarHBondContact OG-OD2 3.1Å; S635-R639 PolarHBondContact O-N 3.4Å | ||
| 636 | V | 39.9 | Very low | 36.7 | Very low | 65 Ų | 65 | 93.6 Ų | 93.6 | 39% | 0.394 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -54.7 | -39.5 | 179.1 | -179.5 | 0 | 0 | 0 | 0 | 111.8 | D638 R639 L640 C695 | V636-D638 PolarHBondContact O-N 2.75Å; V636-R639 PolarHBondContact O-N 2.8Å; V636-R639 VanDerWaalsContact O-N 3.14Å; V636-L640 HydrophobicContact CG1-CD1 3.91Å; V636-L640 VanDerWaalsContact O-CD1 3.28Å; V636-L640 WeakPolarHBondContact O-CD1 3.35Å; V636-L640 PolarHBondContact O-N 3.47Å; V636-C695 HydrophobicContact CG2-CB 3.84Å |
| 637 | S | 41.3 | Very low | 37.6 | Very low | 94 Ų | 94 | 86.1 Ų | 86.1 | 66% | 0.657 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.9 | -24.9 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 114.3 | S635 | S635-S637 PolarHBondContact O-N 2.83Å |
| 638 | D | 41.7 | Very low | 38.7 | Very low | 92 Ų | 92 | 82.7 Ų | 82.7 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -93.5 | -19.8 | -179.6 | -49.9 | -51.4 | 0 | 0 | 0 | 111.6 | S635 V636 | S635-D638 WeakPolarHBondContact CB-OD2 3.3Å; S635-D638 PolarHBondContact O-N 2.9Å; S635-D638 PolarHBondContact OG-OD2 3.1Å; V636-D638 PolarHBondContact O-N 2.75Å |
| 639 | R | 40.7 | Very low | 40.4 | Very low | 60 Ų | 60 | 86.7 Ų | 86.7 | 23% | 0.226 | 51% | 0.511 | C | S | . | . | H | α-helix | trans | -81.8 | -32 | 179.4 | -71.1 | -174.3 | 172.6 | -167.6 | -8.9 | 113.5 | T634 S635 V636 C642 Q643 | T634-R639 PolarHBondContact O-NE 2.89Å; T634-R639 PolarHBondContact OG1-NE 3.12Å; T634-R639 PolarHBondContact OG1-NH2 3.09Å; S635-R639 PolarHBondContact O-N 3.4Å; V636-R639 PolarHBondContact O-N 2.8Å; V636-R639 VanDerWaalsContact O-N 3.14Å; R639-C642 PolarHBondContact O-N 3.35Å; R639-Q643 WeakPolarHBondContact O-CB 3.49Å; R639-Q643 WeakPolarHBondContact O-CG 3.32Å; R639-Q643 PolarHBondContact O-N 2.86Å |
| 640 | L | 41.6 | Very low | 42.7 | Very low | 38 Ų | 38 | 86.7 Ų | 86.7 | 20% | 0.199 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -51.4 | -51.6 | -177.9 | -99.3 | 76.5 | 0 | 0 | 0 | 113.6 | V636 C642 Q643 M644 L705 | V636-L640 HydrophobicContact CG1-CD1 3.91Å; V636-L640 VanDerWaalsContact O-CD1 3.28Å; V636-L640 WeakPolarHBondContact O-CD1 3.35Å; V636-L640 PolarHBondContact O-N 3.47Å; L640-C642 PolarHBondContact O-N 2.98Å; L640-Q643 PolarHBondContact O-N 3.3Å; L640-M644 WeakPolarHBondContact O-CB 3.44Å; L640-M644 VanDerWaalsContact O-CG 3.27Å; L640-M644 WeakPolarHBondContact O-CG 3.45Å; L640-M644 PolarHBondContact O-N 3.16Å; L640-L705 HydrophobicContact CD2-CD1 4.49Å |
| 641 | P | 37.8 | Very low | 45.2 | Very low | 89 Ų | 89 | 86 Ų | 86 | 58% | 0.578 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -40.3 | -178.2 | -22.8 | 34.6 | 0 | 0 | 0 | 113.1 | M644 A645 | P641-M644 PolarHBondContact O-N 3.27Å; P641-A645 PolarHBondContact O-N 3.03Å |
| 642 | C | 38.1 | Very low | 47.4 | Very low | 90 Ų | 90 | 88.1 Ų | 88.1 | 61% | 0.608 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -71.1 | -38.6 | -179.5 | -57.2 | 0 | 0 | 0 | 0 | 112.1 | R639 L640 M644 A645 | R639-C642 PolarHBondContact O-N 3.35Å; L640-C642 PolarHBondContact O-N 2.98Å; C642-M644 VanDerWaalsContact C-N 3.31Å; C642-A645 WeakPolarHBondContact O-CB 3.39Å; C642-A645 PolarHBondContact O-N 3.44Å |
| 643 | Q | 45.4 | Very low | 49.5 | Very low | 76 Ų | 76 | 87.7 Ų | 87.7 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.9 | -29 | 174.4 | -70.4 | 175.9 | -35.5 | 0 | 0 | 111.6 | R639 L640 A645 F646 A647 W657 | R639-Q643 WeakPolarHBondContact O-CB 3.49Å; R639-Q643 WeakPolarHBondContact O-CG 3.32Å; R639-Q643 PolarHBondContact O-N 2.86Å; L640-Q643 PolarHBondContact O-N 3.3Å; Q643-A645 VanDerWaalsContact C-N 3.29Å; Q643-A645 PolarHBondContact O-N 2.75Å; Q643-F646 CarbonylContact O-C 3.51Å; Q643-F646 VanDerWaalsContact O-C 3.28Å; Q643-F646 PolarHBondContact O-N 3.26Å; Q643-F646 VanDerWaalsContact O-N 3.14Å; Q643-A647 PolarHBondContact O-N 2.64Å; Q643-W657 HydrophobicContact CB-CH2 4.3Å; Q643-W657 HydrophobicContact CG-CH2 4.32Å |
| 644 | M | 43.6 | Very low | 51.9 | Low | 106 Ų | 106 | 82 Ų | 82 | 52% | 0.522 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.5 | -17 | 172.9 | -74.2 | -176.3 | 76.1 | 0 | 0 | 114.4 | L640 P641 C642 F646 A647 L654 | L640-M644 WeakPolarHBondContact O-CB 3.44Å; L640-M644 VanDerWaalsContact O-CG 3.27Å; L640-M644 WeakPolarHBondContact O-CG 3.45Å; L640-M644 PolarHBondContact O-N 3.16Å; P641-M644 PolarHBondContact O-N 3.27Å; C642-M644 VanDerWaalsContact C-N 3.31Å; M644-F646 PolarHBondContact O-N 3.27Å; M644-A647 HydrophobicContact CB-CB 4.4Å; M644-A647 HydrophobicContact CG-CB 4.5Å; M644-A647 WeakPolarHBondContact O-CB 3.4Å; M644-A647 PolarHBondContact O-N 3.41Å; M644-L654 HydrophobicContact CE-CD2 4.45Å |
| 645 | A | 41.9 | Very low | 54.3 | Low | 84 Ų | 84 | 78.2 Ų | 78.2 | 69% | 0.694 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P641 C642 Q643 | P641-A645 PolarHBondContact O-N 3.03Å; C642-A645 WeakPolarHBondContact O-CB 3.39Å; C642-A645 PolarHBondContact O-N 3.44Å; Q643-A645 VanDerWaalsContact C-N 3.29Å; Q643-A645 PolarHBondContact O-N 2.75Å |
| 646 | F | 46.4 | Very low | 56.5 | Low | 192 Ų | 192 | 77.7 Ų | 77.7 | 84% | 0.842 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.6 | 18 | 168.9 | -72.7 | -86.3 | 0 | 0 | 0 | 112 | Q643 M644 | Q643-F646 CarbonylContact O-C 3.51Å; Q643-F646 VanDerWaalsContact O-C 3.28Å; Q643-F646 PolarHBondContact O-N 3.26Å; Q643-F646 VanDerWaalsContact O-N 3.14Å; M644-F646 PolarHBondContact O-N 3.27Å |
| 647 | A | 45.9 | Very low | 58.3 | Low | 30 Ų | 30 | 79.2 Ų | 79.2 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | trans | -62.8 | 134.3 | 171 | 0 | 0 | 0 | 0 | 0 | 108.5 | Q643 M644 L654 | Q643-A647 PolarHBondContact O-N 2.64Å; M644-A647 HydrophobicContact CB-CB 4.4Å; M644-A647 HydrophobicContact CG-CB 4.5Å; M644-A647 WeakPolarHBondContact O-CB 3.4Å; M644-A647 PolarHBondContact O-N 3.41Å; A647-L654 HydrophobicContact CB-CD1 3.95Å; A647-L654 HydrophobicContact CB-CD2 4.36Å | ||
| 648 | P | 52.5 | Low | 60.3 | Low | 49 Ų | 49 | 75.2 Ų | 75.2 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | trans | -62.1 | 154.3 | 173.7 | 30 | -36.8 | 0 | 0 | 0 | 109.9 | T650 Q653 L654 | P648-T650 PolarHBondContact O-N 3.44Å; P648-Q653 HydrophobicContact CB-CB 3.49Å; P648-Q653 VanDerWaalsContact CB-CB 3.49Å; P648-Q653 HydrophobicContact CB-CG 4.37Å; P648-Q653 HydrophobicContact CG-CB 3.33Å; P648-L654 HydrophobicContact CG-CB 4.42Å | ||
| 649 | T | 59.9 | Low | 62.4 | Low | 140 Ų | 140 | 70.9 Ų | 70.9 | 86% | 0.859 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -67.2 | -1.1 | -161.2 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | ||
| 650 | T | 78.6 | Confident | 64.3 | Low | 66 Ų | 66 | 68.9 Ų | 68.9 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -130.7 | 149 | 178.5 | 65.7 | 0 | 0 | 0 | 0 | 111.9 | P648 E652 Q653 L654 | P648-T650 PolarHBondContact O-N 3.44Å; T650-E652 PolarHBondContact O-N 3.02Å; T650-Q653 PolarHBondContact O-N 2.69Å; T650-Q653 VanDerWaalsContact OG1-CG 3.22Å; T650-Q653 WeakPolarHBondContact OG1-CG 3.36Å; T650-Q653 PolarHBondContact OG1-N 3.1Å; T650-Q653 PolarHBondContact OG1-OE1 2.88Å; T650-L654 PolarHBondContact O-N 2.97Å; T650-L654 VanDerWaalsContact O-N 3.15Å |
| 651 | L | 77.5 | Confident | 65.9 | Low | 86 Ų | 86 | 72.5 Ų | 72.5 | 45% | 0.45 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.1 | -34.9 | 174.6 | 177.3 | 61.7 | 0 | 0 | 0 | 112.3 | L654 L655 L770 | L651-L654 PolarHBondContact O-N 3.42Å; L651-L655 HydrophobicContact CD1-CG 4.4Å; L651-L655 HydrophobicContact CG-CD1 4.35Å; L651-L655 WeakPolarHBondContact O-CG 3.24Å; L651-L655 PolarHBondContact O-N 3Å; L651-L770 HydrophobicContact CD1-CD1 3.93Å; L651-L770 HydrophobicContact CD2-CD1 3.96Å; L651-L770 HydrophobicContact CG-CD1 4.3Å |
| 652 | E | 81.9 | Confident | 67.8 | Low | 116 Ų | 116 | 70.2 Ų | 70.2 | 54% | 0.542 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -52.8 | 180 | -63.4 | -155.2 | 141.6 | 0 | 0 | 111.7 | T650 L654 L655 D656 R777 | T650-E652 PolarHBondContact O-N 3.02Å; E652-L654 PolarHBondContact O-N 3.11Å; E652-L655 PolarHBondContact O-N 3.03Å; E652-D656 PolarHBondContact O-N 3.12Å; E652-R777 PolarHBondContact O-NH2 2.94Å |
| 653 | Q | 79.4 | Confident | 69.9 | Low | 91 Ų | 91 | 66 Ų | 66 | 43% | 0.425 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.3 | -30.8 | 177.2 | -65.5 | 161.7 | -36.2 | 0 | 0 | 112.1 | P648 T650 D656 W657 | P648-Q653 HydrophobicContact CB-CB 3.49Å; P648-Q653 VanDerWaalsContact CB-CB 3.49Å; P648-Q653 HydrophobicContact CB-CG 4.37Å; P648-Q653 HydrophobicContact CG-CB 3.33Å; T650-Q653 PolarHBondContact O-N 2.69Å; T650-Q653 VanDerWaalsContact OG1-CG 3.22Å; T650-Q653 WeakPolarHBondContact OG1-CG 3.36Å; T650-Q653 PolarHBondContact OG1-N 3.1Å; T650-Q653 PolarHBondContact OG1-OE1 2.88Å; Q653-D656 PolarHBondContact O-N 3.4Å; Q653-W657 PolarHBondContact O-N 2.84Å |
| 654 | L | 82.1 | Confident | 71.4 | Confident | 16 Ų | 16 | 65.1 Ų | 65.1 | 8% | 0.084 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.6 | -42.5 | 174.4 | 178.4 | 58.9 | 0 | 0 | 0 | 111.4 | M644 A647 P648 T650 L651 E652 D656 W657 I658 M706 | M644-L654 HydrophobicContact CE-CD2 4.45Å; A647-L654 HydrophobicContact CB-CD1 3.95Å; A647-L654 HydrophobicContact CB-CD2 4.36Å; P648-L654 HydrophobicContact CG-CB 4.42Å; T650-L654 PolarHBondContact O-N 2.97Å; T650-L654 VanDerWaalsContact O-N 3.15Å; L651-L654 PolarHBondContact O-N 3.42Å; E652-L654 PolarHBondContact O-N 3.11Å; L654-D656 VanDerWaalsContact C-N 3.34Å; L654-W657 HydrophobicContact CD1-CE3 4.45Å; L654-W657 PolarHBondContact O-N 3.11Å; L654-I658 HydrophobicContact CD1-CD1 3.87Å; L654-I658 HydrophobicContact CD1-CG1 4.26Å; L654-I658 HydrophobicContact CG-CD1 3.91Å; L654-I658 WeakPolarHBondContact O-CB 3.21Å; L654-I658 VanDerWaalsContact O-CG1 3.29Å; L654-I658 WeakPolarHBondContact O-CG1 3.35Å; L654-I658 PolarHBondContact O-N 3.25Å; L654-M706 HydrophobicContact CD2-CE 3.7Å; L654-M706 HydrophobicContact CG-CE 4.12Å |
| 655 | L | 86.7 | Confident | 72.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.1 | -34.1 | 173 | -70.4 | 175 | 0 | 0 | 0 | 112.3 | L651 E652 W657 I658 I659 V703 M706 L770 V774 | L651-L655 HydrophobicContact CD1-CG 4.4Å; L651-L655 HydrophobicContact CG-CD1 4.35Å; L651-L655 WeakPolarHBondContact O-CG 3.24Å; L651-L655 PolarHBondContact O-N 3Å; E652-L655 PolarHBondContact O-N 3.03Å; L655-W657 VanDerWaalsContact C-N 3.31Å; L655-W657 PolarHBondContact O-N 3.33Å; L655-I658 PolarHBondContact O-N 2.82Å; L655-I659 HydrophobicContact CD2-CD1 4.39Å; L655-I659 WeakPolarHBondContact O-CB 3.48Å; L655-I659 PolarHBondContact O-N 2.83Å; L655-V703 HydrophobicContact CD2-CG2 4.28Å; L655-M706 HydrophobicContact CD2-SD 4.41Å; L655-L770 HydrophobicContact CD1-CD1 4.03Å; L655-L770 HydrophobicContact CD2-CD1 4.31Å; L655-V774 HydrophobicContact CD1-CG2 4.23Å; L655-V774 HydrophobicContact CD2-CG2 3.96Å |
| 656 | D | 83.5 | Confident | 73 | Confident | 52 Ų | 52 | 63 Ų | 63 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | I | π-helix | trans | -65.5 | -34.7 | 171.9 | -76.9 | -52 | 0 | 0 | 0 | 112.7 | E652 Q653 L654 T660 K661 R777 | E652-D656 PolarHBondContact O-N 3.12Å; Q653-D656 PolarHBondContact O-N 3.4Å; L654-D656 VanDerWaalsContact C-N 3.34Å; D656-T660 CarbonylContact O-C 3.59Å; D656-T660 WeakPolarHBondContact O-CB 3.38Å; D656-T660 PolarHBondContact O-N 3.09Å; D656-T660 PolarHBondContact OD1-OG1 3.46Å; D656-K661 PolarHBondContact O-N 3.05Å; D656-R777 WeakPolarHBondContact OD1-CD 3.38Å; D656-R777 IonicContact OD1-CZ 3.03Å; D656-R777 IonicContact OD1-NE 2.91Å; D656-R777 PolarHBondContact OD1-NE 3.4Å; D656-R777 IonicContact OD1-NH2 2.81Å; D656-R777 IonicContact OD2-CZ 3.31Å; D656-R777 IonicContact OD2-NE 3.31Å; D656-R777 PolarHBondContact OD2-NE 2.85Å; D656-R777 IonicContact OD2-NH2 3.18Å; D656-R777 PolarHBondContact OD2-NH2 3.46Å |
| 657 | W | 77.9 | Confident | 73.2 | Confident | 96 Ų | 96 | 55.2 Ų | 55.2 | 36% | 0.364 | 28% | 0.283 | S | S | . | . | I | π-helix | trans | -72.2 | -38.7 | 173.5 | -174.1 | 82.9 | 0 | 0 | 0 | 112.3 | Q643 Q653 L654 L655 | Q643-W657 HydrophobicContact CB-CH2 4.3Å; Q643-W657 HydrophobicContact CG-CH2 4.32Å; Q653-W657 PolarHBondContact O-N 2.84Å; L654-W657 HydrophobicContact CD1-CE3 4.45Å; L654-W657 PolarHBondContact O-N 3.11Å; L655-W657 VanDerWaalsContact C-N 3.31Å; L655-W657 PolarHBondContact O-N 3.33Å |
| 658 | I | 83.3 | Confident | 73.1 | Confident | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | I | π-helix | trans | -77.2 | -35.3 | -178.8 | -68.6 | 172.2 | 0 | 0 | 0 | 113.2 | L654 L655 Q662 P699 C702 M706 | L654-I658 HydrophobicContact CD1-CD1 3.87Å; L654-I658 HydrophobicContact CD1-CG1 4.26Å; L654-I658 HydrophobicContact CG-CD1 3.91Å; L654-I658 WeakPolarHBondContact O-CB 3.21Å; L654-I658 VanDerWaalsContact O-CG1 3.29Å; L654-I658 WeakPolarHBondContact O-CG1 3.35Å; L654-I658 PolarHBondContact O-N 3.25Å; L655-I658 PolarHBondContact O-N 2.82Å; I658-Q662 VanDerWaalsContact O-CB 3.3Å; I658-Q662 WeakPolarHBondContact O-CB 3.25Å; I658-Q662 WeakPolarHBondContact O-CG 3.44Å; I658-P699 HydrophobicContact CG2-CB 4.34Å; I658-P699 WeakPolarHBondContact O-CB 3.45Å; I658-P699 WeakPolarHBondContact O-CG 3.13Å; I658-C702 HydrophobicContact CD1-CB 4.31Å; I658-C702 HydrophobicContact CG2-CB 3.79Å; I658-M706 HydrophobicContact CD1-CE 3.37Å; I658-M706 HydrophobicContact CD1-SD 4.47Å |
| 659 | I | 85.7 | Confident | 72.4 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -108.5 | -71 | -175.3 | -56 | 170.3 | 0 | 0 | 0 | 109.3 | L655 K661 Q662 L663 V703 V774 R777 F778 | L655-I659 HydrophobicContact CD2-CD1 4.39Å; L655-I659 WeakPolarHBondContact O-CB 3.48Å; L655-I659 PolarHBondContact O-N 2.83Å; I659-K661 VanDerWaalsContact C-N 3.29Å; I659-K661 PolarHBondContact O-N 3.48Å; I659-Q662 PolarHBondContact O-N 3.29Å; I659-L663 HydrophobicContact CG2-CD1 3.89Å; I659-L663 WeakPolarHBondContact O-CG 3.09Å; I659-L663 PolarHBondContact O-N 3.31Å; I659-V703 HydrophobicContact CD1-CG2 4.17Å; I659-V774 HydrophobicContact CD1-CB 4.23Å; I659-V774 HydrophobicContact CD1-CG1 3.89Å; I659-V774 HydrophobicContact CD1-CG2 4.05Å; I659-R777 HydrophobicContact CB-CB 4.38Å; I659-R777 HydrophobicContact CD1-CB 4.3Å; I659-R777 HydrophobicContact CG2-CB 4.12Å; I659-F778 HydrophobicContact CG2-CD1 4.15Å; I659-F778 HydrophobicContact CG2-CE1 4.01Å |
| 660 | T | 80 | Confident | 71.1 | Confident | 18 Ų | 18 | 65.2 Ų | 65.2 | 11% | 0.11 | 31% | 0.305 | C | S | . | . | I | π-helix | trans | -59.8 | -37.2 | -168.5 | -38.6 | 0 | 0 | 0 | 0 | 112.5 | D656 K664 | D656-T660 CarbonylContact O-C 3.59Å; D656-T660 WeakPolarHBondContact O-CB 3.38Å; D656-T660 PolarHBondContact O-N 3.09Å; D656-T660 PolarHBondContact OD1-OG1 3.46Å; T660-K664 WeakPolarHBondContact O-CB 3.32Å; T660-K664 WeakPolarHBondContact O-CD 3.37Å; T660-K664 WeakPolarHBondContact O-CG 3.4Å |
| 661 | K | 76.2 | Confident | 68.8 | Low | 114 Ų | 114 | 66.8 Ų | 66.8 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | I | π-helix | trans | -79.6 | -51.7 | 173.5 | -71.3 | -173.7 | 177.1 | -176.2 | 0 | 112.3 | D656 I659 L663 K664 F665 | D656-K661 PolarHBondContact O-N 3.05Å; I659-K661 VanDerWaalsContact C-N 3.29Å; I659-K661 PolarHBondContact O-N 3.48Å; K661-L663 VanDerWaalsContact C-N 3.31Å; K661-L663 PolarHBondContact O-N 3.41Å; K661-K664 CarbonylContact O-C 3.55Å; K661-K664 PolarHBondContact O-N 2.97Å; K661-F665 HydrophobicContact CB-CD2 4.18Å; K661-F665 WeakPolarHBondContact O-CB 3.42Å; K661-F665 WeakPolarHBondContact O-CD2 3.45Å; K661-F665 PolarHBondContact O-N 3.11Å |
| 662 | Q | 77.5 | Confident | 66.5 | Low | 42 Ų | 42 | 67.1 Ų | 67.1 | 20% | 0.196 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -53 | -47.3 | -177.8 | -68.7 | -74 | -59.7 | 0 | 0 | 112 | I658 I659 K664 F665 V666 L694 P699 | I658-Q662 VanDerWaalsContact O-CB 3.3Å; I658-Q662 WeakPolarHBondContact O-CB 3.25Å; I658-Q662 WeakPolarHBondContact O-CG 3.44Å; I659-Q662 PolarHBondContact O-N 3.29Å; Q662-K664 PolarHBondContact O-N 3.18Å; Q662-F665 PolarHBondContact O-N 3.38Å; Q662-V666 WeakPolarHBondContact O-CG2 3.14Å; Q662-V666 PolarHBondContact O-N 3.47Å; Q662-L694 VanDerWaalsContact OE1-CD2 3.29Å; Q662-L694 VanDerWaalsContact OE1-CG 3.29Å; Q662-P699 HydrophobicContact CB-CG 3.82Å; Q662-P699 HydrophobicContact CG-CG 4.24Å |
| 663 | L | 81.9 | Confident | 63.9 | Low | 2 Ų | 2 | 69.6 Ų | 69.6 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66 | -33.8 | 179.4 | -65.1 | 176 | 0 | 0 | 0 | 113.2 | I659 K661 F778 F781 S829 A832 W833 | I659-L663 HydrophobicContact CG2-CD1 3.89Å; I659-L663 WeakPolarHBondContact O-CG 3.09Å; I659-L663 PolarHBondContact O-N 3.31Å; K661-L663 VanDerWaalsContact C-N 3.31Å; K661-L663 PolarHBondContact O-N 3.41Å; L663-F778 HydrophobicContact CD1-CD1 4.31Å; L663-F778 HydrophobicContact CD1-CE1 4.18Å; L663-F781 HydrophobicContact CB-CD2 3.76Å; L663-F781 HydrophobicContact CB-CE2 3.49Å; L663-F781 VanDerWaalsContact CB-CE2 3.49Å; L663-F781 HydrophobicContact CB-CG 4.44Å; L663-F781 HydrophobicContact CB-CZ 3.96Å; L663-F781 HydrophobicContact CD1-CD1 4.34Å; L663-F781 HydrophobicContact CD1-CD2 4.27Å; L663-F781 HydrophobicContact CD1-CG 4.15Å; L663-S829 WeakPolarHBondContact O-CB 3.29Å; L663-S829 PolarHBondContact O-OG 3.25Å; L663-A832 HydrophobicContact CD2-CB 4.13Å; L663-W833 HydrophobicContact CD1-CB 4.3Å; L663-W833 HydrophobicContact CD2-CB 4.39Å |
| 664 | K | 76.2 | Confident | 61.4 | Low | 56 Ų | 56 | 74 Ų | 74 | 24% | 0.243 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -80.6 | -22.8 | 175.7 | -64.4 | -177.9 | -170 | -170.3 | 0 | 113.1 | T660 K661 Q662 H667 F781 Y784 | T660-K664 WeakPolarHBondContact O-CB 3.32Å; T660-K664 WeakPolarHBondContact O-CD 3.37Å; T660-K664 WeakPolarHBondContact O-CG 3.4Å; K661-K664 CarbonylContact O-C 3.55Å; K661-K664 PolarHBondContact O-N 2.97Å; Q662-K664 PolarHBondContact O-N 3.18Å; K664-H667 PolarHBondContact O-CD2 3.43Å; K664-F781 HydrophobicContact CG-CD2 3.93Å; K664-F781 HydrophobicContact CG-CE2 3.74Å; K664-Y784 HydrophobicContact CB-CE1 4.43Å; K664-Y784 HydrophobicContact CD-CD1 3.92Å; K664-Y784 HydrophobicContact CD-CD2 4.13Å; K664-Y784 HydrophobicContact CD-CE1 4.04Å; K664-Y784 HydrophobicContact CD-CE2 4.25Å; K664-Y784 HydrophobicContact CD-CG 3.96Å; K664-Y784 HydrophobicContact CG-CD1 3.81Å; K664-Y784 HydrophobicContact CG-CE1 3.65Å; K664-Y784 HydrophobicContact CG-CG 4.37Å |
| 665 | F | 62 | Low | 58.9 | Low | 99 Ų | 99 | 82.5 Ų | 82.5 | 43% | 0.434 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -84 | -11.8 | -178.6 | -94.7 | -94.3 | 0 | 0 | 0 | 114.3 | K661 Q662 H667 Q668 L694 | K661-F665 HydrophobicContact CB-CD2 4.18Å; K661-F665 WeakPolarHBondContact O-CB 3.42Å; K661-F665 WeakPolarHBondContact O-CD2 3.45Å; K661-F665 PolarHBondContact O-N 3.11Å; Q662-F665 PolarHBondContact O-N 3.38Å; F665-H667 PolarHBondContact O-N 2.9Å; F665-H667 VanDerWaalsContact O-N 3.12Å; F665-Q668 HydrophobicContact CD1-CB 4.27Å; F665-Q668 HydrophobicContact CD1-CG 4.49Å; F665-Q668 PolarHBondContact O-N 3.13Å; F665-L694 HydrophobicContact CB-CD2 4.47Å |
| 666 | V | 57.4 | Low | 56.2 | Low | 47 Ų | 47 | 89 Ų | 89 | 29% | 0.285 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -29.3 | 170.1 | -178 | 0 | 0 | 0 | 0 | 111.5 | Q662 K828 A832 | Q662-V666 WeakPolarHBondContact O-CG2 3.14Å; Q662-V666 PolarHBondContact O-N 3.47Å; V666-K828 HydrophobicContact CG1-CB 3.83Å; V666-A832 HydrophobicContact CG2-CB 4.36Å |
| 667 | H | 50.2 | Low | 53.5 | Low | 29 Ų | 29 | 92.3 Ų | 92.3 | 13% | 0.134 | 45% | 0.453 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -31.1 | 176.4 | -53.9 | -56.5 | 0 | 0 | 0 | 115.2 | K664 F665 L669 Y784 D825 S829 | K664-H667 PolarHBondContact O-CD2 3.43Å; F665-H667 PolarHBondContact O-N 2.9Å; F665-H667 VanDerWaalsContact O-N 3.12Å; H667-L669 PolarHBondContact O-N 3.03Å; H667-Y784 PolarHBondContact CD2-OH 2.94Å; H667-Y784 AromaticContact NE2-CE1 3.8Å; H667-D825 PolarHBondContact CE1-O 2.99Å; H667-D825 VanDerWaalsContact ND1-C 3.33Å; H667-D825 PolarHBondContact ND1-O 3Å; H667-S829 WeakPolarHBondContact CE1-CB 3.24Å; H667-S829 PolarHBondContact CE1-OG 3.48Å; H667-S829 PolarHBondContact ND1-OG 2.89Å; H667-S829 VanDerWaalsContact ND1-OG 3.16Å; H667-S829 PolarHBondContact NE2-OG 3.07Å; H667-S829 VanDerWaalsContact NE2-OG 3.14Å |
| 668 | Q | 44.2 | Very low | 51 | Low | 126 Ų | 126 | 93.7 Ų | 93.7 | 59% | 0.589 | 47% | 0.472 | S | S | * | . | trans | -88 | -5.3 | -156.6 | -69 | -159.7 | -14.2 | 0 | 0 | 115.7 | F665 R670 | F665-Q668 HydrophobicContact CD1-CB 4.27Å; F665-Q668 HydrophobicContact CD1-CG 4.49Å; F665-Q668 PolarHBondContact O-N 3.13Å; Q668-R670 PolarHBondContact O-N 3.07Å | ||
| 669 | L | 37.9 | Very low | 48.4 | Very low | 113 Ų | 113 | 100.1 Ų | 100.1 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | 13.3 | -170 | -96.5 | 161 | 0 | 0 | 0 | 116.5 | H667 T691 | H667-L669 PolarHBondContact O-N 3.03Å; L669-T691 HydrophobicContact CD2-CG2 4.15Å |
| 670 | R | 34 | Very low | 45.5 | Very low | 189 Ų | 189 | 106.3 Ų | 106.3 | 71% | 0.713 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -154.9 | 7.8 | 178.9 | -142.5 | 179 | 174.7 | -166.6 | -3.8 | 118.9 | Q668 R821 | Q668-R670 PolarHBondContact O-N 3.07Å; R670-R821 PolarHBondContact O-NH1 3.01Å |
| 671 | N | 29.8 | Very low | 43 | Very low | 100 Ų | 100 | 112.3 Ų | 112.3 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | trans | -100.2 | 28.8 | -172.5 | -75.7 | 6.8 | 0 | 0 | 0 | 115.1 | R821 | N671-R821 VanDerWaalsContact OD1-CD 3.24Å; N671-R821 WeakPolarHBondContact OD1-CD 3.23Å; N671-R821 PolarHBondContact OD1-NH1 3.38Å | ||
| 672 | S | 27.8 | Very low | 40.6 | Very low | 93 Ų | 93 | 112.4 Ų | 112.4 | 65% | 0.65 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -105.9 | 15.9 | -179.5 | 52.3 | 0 | 0 | 0 | 0 | 115.3 | ||
| 673 | H | 28.9 | Very low | 38.1 | Very low | 168 Ų | 168 | 117.2 Ų | 117.2 | 78% | 0.778 | 62% | 0.624 | S | S | * | * | trans | -145 | 100.6 | 174.2 | -87.8 | 14.8 | 0 | 0 | 0 | 111.6 | ||||
| 674 | H | 26.3 | Very low | 35.5 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 85% | 0.847 | 66% | 0.658 | S | S | * | * | trans | 170.9 | 95.3 | 134.3 | -94.4 | -60.5 | 0 | 0 | 0 | 112.4 | ||||
| 675 | H | 29.1 | Very low | 33.2 | Very low | 194 Ų | 194 | 127.8 Ų | 127.8 | 90% | 0.898 | 68% | 0.684 | S | S | * | * | trans | 165.7 | 129.8 | 156.7 | -88.2 | -64 | 0 | 0 | 0 | 103.8 | ||||
| 676 | T | 29.7 | Very low | 31.5 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | cis | -127.1 | 173.8 | 15 | 48.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 677 | T | 27.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -94 | 142.4 | 177.5 | -1.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 678 | T | 25.1 | Very low | 29.3 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | trans | 41.8 | 118.5 | 156 | 52 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 679 | T | 29.9 | Very low | 28.7 | Very low | 146 Ų | 146 | 139 Ų | 139 | 90% | 0.896 | 75% | 0.751 | S | S | * | * | -137.4 | -177.9 | 69.9 | 42.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 680 | T | 24.5 | Very low | 28.4 | Very low | 130 Ų | 130 | 137.1 Ų | 137.1 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | -88.8 | 133 | -164.9 | 49 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 681 | T | 27.5 | Very low | 28.3 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 89% | 0.89 | 74% | 0.736 | S | S | * | * | -166.5 | 162.4 | 126.7 | 12 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 682 | T | 25.1 | Very low | 28.9 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | -71.6 | 129.5 | -171.5 | 49.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 683 | N | 26.1 | Very low | 29.8 | Very low | 142 Ų | 142 | 132.1 Ų | 132.1 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | 172.4 | 156.8 | 108.9 | -94.3 | -48.8 | 0 | 0 | 0 | 116.4 | |||||
| 684 | N | 25.5 | Very low | 31.3 | Very low | 133 Ų | 133 | 126.8 Ų | 126.8 | 71% | 0.711 | 70% | 0.703 | S | S | * | * | trans | -44 | 139.3 | 179.6 | -54.2 | -66.3 | 0 | 0 | 0 | 117.4 | ||||
| 685 | N | 28.8 | Very low | 33.3 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | -173.8 | 159.2 | 102.4 | -93.2 | -53.9 | 0 | 0 | 0 | 112.6 | |||||
| 686 | N | 26.7 | Very low | 35.6 | Very low | 146 Ų | 146 | 113.3 Ų | 113.3 | 78% | 0.781 | 65% | 0.65 | S | S | * | * | trans | -86.9 | 141.7 | 178.2 | -54.4 | -47.6 | 0 | 0 | 0 | 111.4 | ||||
| 687 | Q | 33 | Very low | 38.2 | Very low | 190 Ų | 190 | 108.2 Ų | 108.2 | 89% | 0.888 | 62% | 0.617 | S | S | * | * | trans | -138.8 | 123.7 | 162.6 | -164.2 | 159.1 | -6.9 | 0 | 0 | 108.5 | ||||
| 688 | S | 28.5 | Very low | 40.9 | Very low | 67 Ų | 67 | 102.7 Ų | 102.7 | 47% | 0.469 | 59% | 0.585 | S | S | . | * | trans | -107.2 | 112.3 | -171.6 | 58.8 | 0 | 0 | 0 | 0 | 111 | V690 | S688-V690 PolarHBondContact O-N 3.21Š| ||
| 689 | D | 30.6 | Very low | 43.9 | Very low | 134 Ų | 134 | 97 Ų | 97 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | trans | -63.6 | 131.4 | 177.7 | -76.2 | -35.3 | 0 | 0 | 0 | 112 | T691 | D689-T691 PolarHBondContact O-N 3Š| ||
| 690 | V | 31.9 | Very low | 46.8 | Very low | 73 Ų | 73 | 90.2 Ų | 90.2 | 44% | 0.442 | 51% | 0.509 | S | S | . | . | trans | -85.3 | 98.5 | 176.1 | 178.4 | 0 | 0 | 0 | 0 | 108.7 | S688 I692 | S688-V690 PolarHBondContact O-N 3.21Å; V690-I692 PolarHBondContact O-N 2.91Å; V690-I692 VanDerWaalsContact O-N 3.1Å | ||
| 691 | T | 31.9 | Very low | 49.8 | Very low | 91 Ų | 91 | 87.5 Ų | 87.5 | 56% | 0.558 | 49% | 0.488 | S | S | * | . | trans | -66.6 | 108.8 | 173.3 | 43.5 | 0 | 0 | 0 | 0 | 110.5 | L669 D689 D693 | L669-T691 HydrophobicContact CD2-CG2 4.15Å; D689-T691 PolarHBondContact O-N 3Å; T691-D693 PolarHBondContact O-N 2.73Å | ||
| 692 | I | 42.2 | Very low | 52.7 | Low | 101 Ų | 101 | 81.4 Ų | 81.4 | 52% | 0.518 | 45% | 0.451 | S | S | . | . | trans | -74.9 | 107.9 | 170.8 | -50.6 | 179.1 | 0 | 0 | 0 | 107.4 | V690 L694 | V690-I692 PolarHBondContact O-N 2.91Å; V690-I692 VanDerWaalsContact O-N 3.1Å; I692-L694 HydrophobicContact CB-CD1 4.04Å; I692-L694 HydrophobicContact CG2-CD1 3.91Å; I692-L694 WeakPolarHBondContact O-CD1 3.24Å; I692-L694 PolarHBondContact O-N 3.41Å | ||
| 693 | D | 46.5 | Very low | 55.8 | Low | 86 Ų | 86 | 76 Ų | 76 | 46% | 0.46 | 42% | 0.418 | S | S | . | . | trans | -62.9 | 102 | 163.2 | -94 | 42.1 | 0 | 0 | 0 | 109 | K633 T691 | K633-D693 HydrophobicContact CD-CB 4.12Å; K633-D693 VanDerWaalsContact CD-OD2 3.3Å; K633-D693 WeakPolarHBondContact CD-OD2 3.36Å; K633-D693 WeakPolarHBondContact CE-OD1 3.18Å; K633-D693 VanDerWaalsContact CE-OD2 3.24Å; K633-D693 WeakPolarHBondContact CE-OD2 3.36Å; K633-D693 HydrophobicContact CG-CB 4.41Å; K633-D693 IonicContact NZ-OD1 2.86Å; K633-D693 PolarHBondContact NZ-OD1 2.9Å; K633-D693 IonicContact NZ-OD2 3.71Å; K633-D693 PolarHBondContact NZ-OD2 3.08Å; T691-D693 PolarHBondContact O-N 2.73Å | ||
| 694 | L | 60.2 | Low | 58.8 | Low | 55 Ų | 55 | 69.5 Ų | 69.5 | 29% | 0.288 | 38% | 0.383 | S | S | . | . | trans | -73.3 | 126.4 | 166.1 | -82 | 66 | 0 | 0 | 0 | 107.8 | Q662 F665 I692 | Q662-L694 VanDerWaalsContact OE1-CD2 3.29Å; Q662-L694 VanDerWaalsContact OE1-CG 3.29Å; F665-L694 HydrophobicContact CB-CD2 4.47Å; I692-L694 HydrophobicContact CB-CD1 4.04Å; I692-L694 HydrophobicContact CG2-CD1 3.91Å; I692-L694 WeakPolarHBondContact O-CD1 3.24Å; I692-L694 PolarHBondContact O-N 3.41Å | ||
| 695 | C | 69.6 | Low | 61.8 | Low | 52 Ų | 52 | 66.6 Ų | 66.6 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | trans | -71.6 | 122.8 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 108.1 | V636 L697 G698 | V636-C695 HydrophobicContact CG2-CB 3.84Å; C695-L697 PolarHBondContact O-N 3.19Å; C695-G698 WeakPolarHBondContact O-CA 3.34Å; C695-G698 PolarHBondContact O-N 3.01Å | ||
| 696 | P | 76.5 | Confident | 64.7 | Low | 42 Ų | 42 | 61 Ų | 61 | 27% | 0.273 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -40.5 | -172.2 | 21 | -32.2 | 0 | 0 | 0 | 112.7 | G698 N836 S1015 Y1017 | P696-G698 VanDerWaalsContact C-N 3.25Å; P696-G698 PolarHBondContact O-N 3Å; P696-N836 PolarHBondContact O-ND2 3.02Å; P696-S1015 WeakPolarHBondContact CG-O 3.24Å; P696-Y1017 HydrophobicContact CB-CD2 4.46Å; P696-Y1017 HydrophobicContact CG-CD2 3.5Å; P696-Y1017 VanDerWaalsContact CG-CD2 3.5Å; P696-Y1017 HydrophobicContact CG-CE2 3.66Å |
| 697 | L | 85.7 | Confident | 67.5 | Low | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.152 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 10.4 | 172.5 | -64.3 | 175.5 | 0 | 0 | 0 | 113.4 | C695 A700 M701 A835 Q839 | C695-L697 PolarHBondContact O-N 3.19Å; L697-A700 PolarHBondContact O-N 3.25Å; L697-M701 WeakPolarHBondContact O-CB 3.42Å; L697-M701 VanDerWaalsContact O-CG 3.31Å; L697-M701 WeakPolarHBondContact O-CG 3.24Å; L697-M701 PolarHBondContact O-N 3.31Å; L697-A835 HydrophobicContact CD2-CB 3.9Å; L697-Q839 HydrophobicContact CD1-CG 4.24Å; L697-Q839 HydrophobicContact CD2-CB 3.87Å; L697-Q839 HydrophobicContact CD2-CG 4.15Å |
| 698 | G | 83.3 | Confident | 69.9 | Low | 8 Ų | 8 | 50 Ų | 50 | 8% | 0.082 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.4 | -49.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | C695 P696 A700 M701 C702 | C695-G698 WeakPolarHBondContact O-CA 3.34Å; C695-G698 PolarHBondContact O-N 3.01Å; P696-G698 VanDerWaalsContact C-N 3.25Å; P696-G698 PolarHBondContact O-N 3Å; G698-A700 PolarHBondContact O-N 3.26Å; G698-M701 PolarHBondContact O-N 3.34Å; G698-C702 WeakPolarHBondContact O-CB 3.22Å; G698-C702 PolarHBondContact O-N 3.18Å; G698-C702 PolarHBondContact O-SG 3.04Å |
| 699 | P | 88.3 | Confident | 72.5 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.032 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.2 | -50.3 | 177.5 | -26.1 | 33.3 | 0 | 0 | 0 | 113.4 | I658 Q662 C702 V703 N836 | I658-P699 HydrophobicContact CG2-CB 4.34Å; I658-P699 WeakPolarHBondContact O-CB 3.45Å; I658-P699 WeakPolarHBondContact O-CG 3.13Å; Q662-P699 HydrophobicContact CB-CG 3.82Å; Q662-P699 HydrophobicContact CG-CG 4.24Å; P699-C702 PolarHBondContact O-N 3.34Å; P699-V703 WeakPolarHBondContact O-CG2 3.31Å; P699-V703 PolarHBondContact O-N 3.46Å; P699-N836 WeakPolarHBondContact CB-OD1 3.41Å; P699-N836 VanDerWaalsContact CD-OD1 3.29Å; P699-N836 WeakPolarHBondContact CD-OD1 3.44Å |
| 700 | A | 89.8 | Confident | 75 | Confident | 2 Ų | 2 | 45 Ų | 45 | 2% | 0.017 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -61.8 | -46.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L697 G698 C702 V703 Y704 N836 Q839 L840 | L697-A700 PolarHBondContact O-N 3.25Å; G698-A700 PolarHBondContact O-N 3.26Å; A700-C702 PolarHBondContact O-N 2.88Å; A700-V703 PolarHBondContact O-N 3.18Å; A700-Y704 WeakPolarHBondContact O-CB 3.33Å; A700-Y704 PolarHBondContact O-N 2.97Å; A700-N836 HydrophobicContact CB-CB 4.16Å; A700-N836 WeakPolarHBondContact CB-O 3.34Å; A700-N836 WeakPolarHBondContact CB-OD1 3.43Å; A700-N836 PolarHBondContact N-OD1 3.3Å; A700-Q839 HydrophobicContact CB-CB 4.39Å; A700-L840 HydrophobicContact CB-CB 4.03Å |
| 701 | M | 88.8 | Confident | 77.3 | Confident | 74 Ų | 74 | 42 Ų | 42 | 37% | 0.365 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64 | -38.7 | 178.3 | -69.5 | -60.5 | -65.7 | 0 | 0 | 112.2 | L697 G698 L705 L843 | L697-M701 WeakPolarHBondContact O-CB 3.42Å; L697-M701 VanDerWaalsContact O-CG 3.31Å; L697-M701 WeakPolarHBondContact O-CG 3.24Å; L697-M701 PolarHBondContact O-N 3.31Å; G698-M701 PolarHBondContact O-N 3.34Å; M701-L705 WeakPolarHBondContact O-CB 3.47Å; M701-L705 WeakPolarHBondContact O-CG 3.46Å; M701-L705 PolarHBondContact O-N 2.98Å; M701-L843 HydrophobicContact SD-CD1 3.65Å |
| 702 | C | 88.1 | Confident | 79.6 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 12% | 0.115 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -48.4 | 174.4 | -76.3 | 0 | 0 | 0 | 0 | 111.9 | I658 G698 P699 A700 L705 M706 | I658-C702 HydrophobicContact CD1-CB 4.31Å; I658-C702 HydrophobicContact CG2-CB 3.79Å; G698-C702 WeakPolarHBondContact O-CB 3.22Å; G698-C702 PolarHBondContact O-N 3.18Å; G698-C702 PolarHBondContact O-SG 3.04Å; P699-C702 PolarHBondContact O-N 3.34Å; A700-C702 PolarHBondContact O-N 2.88Å; C702-L705 PolarHBondContact O-N 3.34Å; C702-M706 WeakPolarHBondContact O-CG 3.36Å; C702-M706 PolarHBondContact O-N 3.34Å |
| 703 | V | 89.1 | Confident | 81.3 | Confident | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.2 | 173 | 0 | 0 | 0 | 0 | 111.3 | L655 I659 P699 A700 L705 M706 L707 V774 L840 | L655-V703 HydrophobicContact CD2-CG2 4.28Å; I659-V703 HydrophobicContact CD1-CG2 4.17Å; P699-V703 WeakPolarHBondContact O-CG2 3.31Å; P699-V703 PolarHBondContact O-N 3.46Å; A700-V703 PolarHBondContact O-N 3.18Å; V703-L705 PolarHBondContact O-N 3.1Å; V703-M706 WeakPolarHBondContact O-CB 3.48Å; V703-M706 PolarHBondContact O-N 3.3Å; V703-L707 HydrophobicContact CG1-CD1 4.3Å; V703-L707 WeakPolarHBondContact O-CG 3.19Å; V703-L707 PolarHBondContact O-N 2.94Å; V703-V774 HydrophobicContact CG1-CG1 4.29Å; V703-V774 HydrophobicContact CG1-CG2 3.71Å; V703-V774 HydrophobicContact CG2-CG2 3.94Å; V703-L840 HydrophobicContact CB-CD1 4.04Å; V703-L840 HydrophobicContact CB-CD2 4.49Å; V703-L840 HydrophobicContact CG1-CD1 3.82Å; V703-L840 HydrophobicContact CG1-CD2 4.05Å |
| 704 | Y | 89.8 | Confident | 82.9 | Confident | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.027 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 175.2 | 164.7 | -91.4 | 0 | 0 | 0 | 112.2 | A700 M706 L707 R708 L843 D847 | A700-Y704 WeakPolarHBondContact O-CB 3.33Å; A700-Y704 PolarHBondContact O-N 2.97Å; Y704-M706 VanDerWaalsContact C-N 3.31Å; Y704-M706 PolarHBondContact O-N 3.45Å; Y704-L707 PolarHBondContact O-N 2.82Å; Y704-R708 WeakPolarHBondContact O-CB 3.23Å; Y704-R708 PolarHBondContact O-N 3.1Å; Y704-R708 WeakPolarHBondContact OH-CD 3.4Å; Y704-R708 VanDerWaalsContact OH-CZ 3.31Å; Y704-R708 PolarHBondContact OH-NH1 2.93Å; Y704-L843 HydrophobicContact CD2-CB 3.68Å; Y704-L843 HydrophobicContact CD2-CD1 4.45Å; Y704-L843 HydrophobicContact CD2-CG 4.45Å; Y704-L843 HydrophobicContact CE2-CB 4.2Å; Y704-L843 HydrophobicContact CG-CB 4.16Å; Y704-L843 HydrophobicContact CG-CD1 4.1Å; Y704-D847 HydrophobicContact CE2-CB 3.96Å; Y704-D847 WeakPolarHBondContact CE2-OD2 3.36Å; Y704-D847 PolarHBondContact OH-OD2 3.13Å |
| 705 | L | 88 | Confident | 83.7 | Confident | 71 Ų | 71 | 41.9 Ų | 41.9 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65 | -34.4 | 175.3 | -74 | 171.6 | 0 | 0 | 0 | 112.1 | L640 M701 C702 V703 R708 A709 | L640-L705 HydrophobicContact CD2-CD1 4.49Å; M701-L705 WeakPolarHBondContact O-CB 3.47Å; M701-L705 WeakPolarHBondContact O-CG 3.46Å; M701-L705 PolarHBondContact O-N 2.98Å; C702-L705 PolarHBondContact O-N 3.34Å; V703-L705 PolarHBondContact O-N 3.1Å; L705-R708 PolarHBondContact O-N 2.86Å; L705-A709 VanDerWaalsContact O-CB 3.25Å; L705-A709 WeakPolarHBondContact O-CB 3.31Å; L705-A709 PolarHBondContact O-N 3.46Å |
| 706 | M | 90.4 | Very high | 84 | Confident | 31 Ų | 31 | 47.1 Ų | 47.1 | 15% | 0.153 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.9 | -45.7 | 171.4 | -71.3 | 178.6 | 178.4 | 0 | 0 | 112.1 | L654 L655 I658 C702 V703 Y704 R708 A709 I710 L770 | L654-M706 HydrophobicContact CD2-CE 3.7Å; L654-M706 HydrophobicContact CG-CE 4.12Å; L655-M706 HydrophobicContact CD2-SD 4.41Å; I658-M706 HydrophobicContact CD1-CE 3.37Å; I658-M706 HydrophobicContact CD1-SD 4.47Å; C702-M706 WeakPolarHBondContact O-CG 3.36Å; C702-M706 PolarHBondContact O-N 3.34Å; V703-M706 WeakPolarHBondContact O-CB 3.48Å; V703-M706 PolarHBondContact O-N 3.3Å; Y704-M706 VanDerWaalsContact C-N 3.31Å; Y704-M706 PolarHBondContact O-N 3.45Å; M706-R708 VanDerWaalsContact C-N 3.34Å; M706-R708 PolarHBondContact O-N 3.47Å; M706-A709 PolarHBondContact O-N 3.03Å; M706-I710 WeakPolarHBondContact O-CG1 3.26Å; M706-I710 PolarHBondContact O-N 3.04Å; M706-L770 HydrophobicContact CB-CD2 3.77Å |
| 707 | L | 86.2 | Confident | 83.9 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 174.1 | -70.1 | 165.6 | 0 | 0 | 0 | 111.2 | V703 Y704 A709 I710 C711 L767 L770 L771 I844 | V703-L707 HydrophobicContact CG1-CD1 4.3Å; V703-L707 WeakPolarHBondContact O-CG 3.19Å; V703-L707 PolarHBondContact O-N 2.94Å; Y704-L707 PolarHBondContact O-N 2.82Å; L707-A709 VanDerWaalsContact C-N 3.33Å; L707-A709 PolarHBondContact O-N 3.1Å; L707-I710 PolarHBondContact O-N 3.37Å; L707-C711 PolarHBondContact O-N 3.44Å; L707-L767 HydrophobicContact CB-CD2 4.42Å; L707-L767 HydrophobicContact CD2-CD2 3.75Å; L707-L770 HydrophobicContact CD2-CB 4.48Å; L707-L770 HydrophobicContact CD2-CD2 3.8Å; L707-L770 HydrophobicContact CG-CD2 3.91Å; L707-L771 HydrophobicContact CD1-CD2 3.93Å; L707-L771 HydrophobicContact CD2-CD1 4.46Å; L707-L771 HydrophobicContact CD2-CD2 4.17Å; L707-L771 HydrophobicContact CD2-CG 4.03Å; L707-I844 HydrophobicContact CD1-CD1 3.72Å; L707-I844 HydrophobicContact CD1-CG1 3.85Å |
| 708 | R | 82.8 | Confident | 83.4 | Confident | 105 Ų | 105 | 52.3 Ų | 52.3 | 40% | 0.396 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -67.2 | -32.1 | 178.6 | -157.7 | 172.8 | -165.1 | 174.5 | 3.6 | 112.6 | Y704 L705 M706 R712 | Y704-R708 WeakPolarHBondContact O-CB 3.23Å; Y704-R708 PolarHBondContact O-N 3.1Å; Y704-R708 WeakPolarHBondContact OH-CD 3.4Å; Y704-R708 VanDerWaalsContact OH-CZ 3.31Å; Y704-R708 PolarHBondContact OH-NH1 2.93Å; L705-R708 PolarHBondContact O-N 2.86Å; M706-R708 VanDerWaalsContact C-N 3.34Å; M706-R708 PolarHBondContact O-N 3.47Å; R708-R712 VanDerWaalsContact O-CG 3.31Å; R708-R712 WeakPolarHBondContact O-CG 3.46Å; R708-R712 PolarHBondContact O-N 2.82Å; R708-R712 VanDerWaalsContact O-N 3.09Å |
| 709 | A | 83.8 | Confident | 83 | Confident | 53 Ų | 53 | 55 Ų | 55 | 44% | 0.438 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.2 | -40 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L705 M706 L707 R712 Q713 | L705-A709 VanDerWaalsContact O-CB 3.25Å; L705-A709 WeakPolarHBondContact O-CB 3.31Å; L705-A709 PolarHBondContact O-N 3.46Å; M706-A709 PolarHBondContact O-N 3.03Å; L707-A709 VanDerWaalsContact C-N 3.33Å; L707-A709 PolarHBondContact O-N 3.1Å; A709-R712 PolarHBondContact O-N 3.11Å; A709-Q713 VanDerWaalsContact O-CB 3.29Å; A709-Q713 WeakPolarHBondContact O-CB 3.34Å; A709-Q713 PolarHBondContact O-N 3.48Å |
| 710 | I | 82.6 | Confident | 82.5 | Confident | 41 Ų | 41 | 58.2 Ų | 58.2 | 21% | 0.21 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.1 | -48.7 | 173.1 | -71.2 | 168.8 | 0 | 0 | 0 | 110.2 | M706 L707 Q713 C714 H766 L767 L770 | M706-I710 WeakPolarHBondContact O-CG1 3.26Å; M706-I710 PolarHBondContact O-N 3.04Å; L707-I710 PolarHBondContact O-N 3.37Å; I710-Q713 PolarHBondContact O-N 2.79Å; I710-C714 PolarHBondContact O-N 3.03Å; I710-C714 PolarHBondContact O-SG 3.09Å; I710-H766 HydrophobicContact CG2-CB 3.7Å; I710-L767 HydrophobicContact CB-CD2 4.1Å; I710-L767 HydrophobicContact CG2-CD2 3.74Å; I710-L767 HydrophobicContact CG2-CG 4.01Å; I710-L770 HydrophobicContact CD1-CB 4.27Å; I710-L770 HydrophobicContact CD1-CD2 3.8Å |
| 711 | C | 80.2 | Confident | 81.8 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 7% | 0.074 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -54.1 | -56.4 | 174.7 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | L707 Q713 C714 D715 | L707-C711 PolarHBondContact O-N 3.44Å; C711-Q713 PolarHBondContact O-N 3.07Å; C711-C714 WeakPolarHBondContact O-CA 3.43Å; C711-C714 WeakPolarHBondContact O-CB 3.33Å; C711-C714 PolarHBondContact O-N 2.96Å; C711-D715 PolarHBondContact O-N 2.92Å |
| 712 | R | 79.7 | Confident | 81.1 | Confident | 157 Ų | 157 | 61.1 Ų | 61.1 | 59% | 0.592 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -57.1 | -35.1 | 179 | -74.2 | 171.8 | 175.2 | 176 | -0.4 | 113.5 | R708 A709 D715 R716 | R708-R712 VanDerWaalsContact O-CG 3.31Å; R708-R712 WeakPolarHBondContact O-CG 3.46Å; R708-R712 PolarHBondContact O-N 2.82Å; R708-R712 VanDerWaalsContact O-N 3.09Å; A709-R712 PolarHBondContact O-N 3.11Å; R712-D715 WeakPolarHBondContact CA-OD2 3.22Å; R712-R716 VanDerWaalsContact O-CB 3.28Å; R712-R716 WeakPolarHBondContact O-CB 3.41Å; R712-R716 PolarHBondContact O-N 2.88Å |
| 713 | Q | 78.8 | Confident | 80.5 | Confident | 92 Ų | 92 | 66.7 Ų | 66.7 | 43% | 0.43 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.5 | -37.1 | 177.6 | -172.8 | 70.4 | -22.4 | 0 | 0 | 111.1 | A709 I710 C711 R716 W717 | A709-Q713 VanDerWaalsContact O-CB 3.29Å; A709-Q713 WeakPolarHBondContact O-CB 3.34Å; A709-Q713 PolarHBondContact O-N 3.48Å; I710-Q713 PolarHBondContact O-N 2.79Å; C711-Q713 PolarHBondContact O-N 3.07Å; Q713-R716 PolarHBondContact O-N 2.88Å; Q713-W717 VanDerWaalsContact NE2-NE1 3.15Å; Q713-W717 PolarHBondContact O-N 3.22Å |
| 714 | C | 79.3 | Confident | 79.8 | Confident | 19 Ų | 19 | 70 Ų | 70 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.8 | -51.8 | 168.8 | -70.9 | 0 | 0 | 0 | 0 | 111.4 | I710 C711 R716 W717 E718 R763 | I710-C714 PolarHBondContact O-N 3.03Å; I710-C714 PolarHBondContact O-SG 3.09Å; C711-C714 WeakPolarHBondContact O-CA 3.43Å; C711-C714 WeakPolarHBondContact O-CB 3.33Å; C711-C714 PolarHBondContact O-N 2.96Å; C714-R716 PolarHBondContact O-N 2.68Å; C714-W717 PolarHBondContact O-N 3.24Å; C714-E718 WeakPolarHBondContact O-CB 3.36Å; C714-E718 PolarHBondContact O-N 2.93Å; C714-R763 HydrophobicContact CB-CB 4.24Å; C714-R763 HydrophobicContact CB-CG 4.22Å |
| 715 | D | 77 | Confident | 78.7 | Confident | 63 Ų | 63 | 72.5 Ų | 72.5 | 34% | 0.337 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -54 | -38.9 | 178 | -50.1 | -34.8 | 0 | 0 | 0 | 111.5 | C711 R712 T719 R763 | C711-D715 PolarHBondContact O-N 2.92Å; R712-D715 WeakPolarHBondContact CA-OD2 3.22Å; D715-T719 WeakPolarHBondContact O-CB 3.39Å; D715-T719 PolarHBondContact O-N 3.25Å; D715-T719 PolarHBondContact O-OG1 3.27Å; D715-R763 IonicContact OD1-CZ 2.67Å; D715-R763 IonicContact OD1-NH1 2.76Å; D715-R763 PolarHBondContact OD1-NH1 3.15Å; D715-R763 IonicContact OD1-NH2 3.68Å |
| 716 | R | 76.4 | Confident | 77.8 | Confident | 161 Ų | 161 | 71.5 Ų | 71.5 | 61% | 0.608 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -70.5 | -40.1 | 178.1 | -176.5 | 178.7 | -179.2 | -178.1 | 1.6 | 113.1 | R712 Q713 C714 T719 I720 | R712-R716 VanDerWaalsContact O-CB 3.28Å; R712-R716 WeakPolarHBondContact O-CB 3.41Å; R712-R716 PolarHBondContact O-N 2.88Å; Q713-R716 PolarHBondContact O-N 2.88Å; C714-R716 PolarHBondContact O-N 2.68Å; R716-T719 PolarHBondContact O-N 2.84Å; R716-I720 HydrophobicContact CG-CD1 4.14Å; R716-I720 WeakPolarHBondContact O-CD1 3.15Å; R716-I720 VanDerWaalsContact O-CG1 3.26Å; R716-I720 WeakPolarHBondContact O-CG1 3.39Å; R716-I720 PolarHBondContact O-N 3.16Å; R716-I720 VanDerWaalsContact O-N 3.1Å |
| 717 | W | 73.6 | Confident | 76.7 | Confident | 108 Ų | 108 | 77.2 Ų | 77.2 | 41% | 0.409 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.2 | -41.9 | 177.8 | -77.2 | 50 | 0 | 0 | 0 | 110.8 | Q713 C714 T719 I720 E721 | Q713-W717 VanDerWaalsContact NE2-NE1 3.15Å; Q713-W717 PolarHBondContact O-N 3.22Å; C714-W717 PolarHBondContact O-N 3.24Å; W717-T719 VanDerWaalsContact C-N 3.32Å; W717-T719 PolarHBondContact O-N 2.9Å; W717-I720 CarbonylContact O-C 3.59Å; W717-I720 WeakPolarHBondContact O-CA 3.37Å; W717-I720 WeakPolarHBondContact O-CB 3.41Å; W717-I720 PolarHBondContact O-N 3.44Å; W717-E721 WeakPolarHBondContact O-CG 3.49Å; W717-E721 PolarHBondContact O-N 3.35Å |
| 718 | E | 74.4 | Confident | 75.4 | Confident | 73 Ų | 73 | 82.2 Ų | 82.2 | 34% | 0.341 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.2 | -46.9 | 171.5 | 174.7 | 171.8 | -177.5 | 0 | 0 | 111.5 | C714 I720 E721 L722 | C714-E718 WeakPolarHBondContact O-CB 3.36Å; C714-E718 PolarHBondContact O-N 2.93Å; E718-I720 VanDerWaalsContact C-N 3.26Å; E718-I720 PolarHBondContact O-N 3.13Å; E718-E721 PolarHBondContact O-N 3.28Å; E718-L722 HydrophobicContact CG-CD1 4.23Å; E718-L722 WeakPolarHBondContact O-CB 3.45Å; E718-L722 VanDerWaalsContact O-CG 3.3Å; E718-L722 WeakPolarHBondContact O-CG 3.23Å; E718-L722 PolarHBondContact O-N 3.32Å |
| 719 | T | 75.6 | Confident | 74.2 | Confident | 65 Ų | 65 | 80.5 Ų | 80.5 | 40% | 0.399 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.5 | -29.7 | 172.9 | -60.1 | 0 | 0 | 0 | 0 | 113.6 | D715 R716 W717 K723 | D715-T719 WeakPolarHBondContact O-CB 3.39Å; D715-T719 PolarHBondContact O-N 3.25Å; D715-T719 PolarHBondContact O-OG1 3.27Å; R716-T719 PolarHBondContact O-N 2.84Å; W717-T719 VanDerWaalsContact C-N 3.32Å; W717-T719 PolarHBondContact O-N 2.9Å; T719-K723 HydrophobicContact CG2-CD 4.31Å; T719-K723 VanDerWaalsContact O-CD 3.31Å; T719-K723 WeakPolarHBondContact O-CD 3.48Å; T719-K723 WeakPolarHBondContact O-CG 3.35Å; T719-K723 PolarHBondContact O-N 3.22Å |
| 720 | I | 77.1 | Confident | 72.7 | Confident | 72 Ų | 72 | 84 Ų | 84 | 37% | 0.369 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -79.9 | -44.4 | 178.5 | -72.6 | 163.4 | 0 | 0 | 0 | 110.7 | R716 W717 E718 K723 Q724 | R716-I720 HydrophobicContact CG-CD1 4.14Å; R716-I720 WeakPolarHBondContact O-CD1 3.15Å; R716-I720 VanDerWaalsContact O-CG1 3.26Å; R716-I720 WeakPolarHBondContact O-CG1 3.39Å; R716-I720 PolarHBondContact O-N 3.16Å; R716-I720 VanDerWaalsContact O-N 3.1Å; W717-I720 CarbonylContact O-C 3.59Å; W717-I720 WeakPolarHBondContact O-CA 3.37Å; W717-I720 WeakPolarHBondContact O-CB 3.41Å; W717-I720 PolarHBondContact O-N 3.44Å; E718-I720 VanDerWaalsContact C-N 3.26Å; E718-I720 PolarHBondContact O-N 3.13Å; I720-K723 CarbonylContact O-C 3.6Å; I720-K723 PolarHBondContact O-N 3.47Å; I720-K723 VanDerWaalsContact O-N 3.13Å; I720-Q724 WeakPolarHBondContact O-CG 3.37Å; I720-Q724 PolarHBondContact O-N 3.36Å |
| 721 | E | 75.4 | Confident | 71.1 | Confident | 46 Ų | 46 | 92.4 Ų | 92.4 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 179.8 | -69.1 | 164.7 | -171.1 | 0 | 0 | 110.6 | W717 E718 K723 Q724 L725 L755 Q759 | W717-E721 WeakPolarHBondContact O-CG 3.49Å; W717-E721 PolarHBondContact O-N 3.35Å; E718-E721 PolarHBondContact O-N 3.28Å; E721-K723 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 3.48Å; E721-Q724 PolarHBondContact O-N 3.49Å; E721-Q724 VanDerWaalsContact O-N 3.14Å; E721-L725 PolarHBondContact O-N 2.91Å; E721-L755 HydrophobicContact CB-CD1 4.4Å; E721-L755 HydrophobicContact CB-CD2 4.12Å; E721-Q759 WeakPolarHBondContact OE2-CG 3.19Å; E721-Q759 PolarHBondContact OE2-NE2 2.96Å |
| 722 | L | 74 | Confident | 69.3 | Low | 91 Ų | 91 | 100.6 Ų | 100.6 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.7 | -37.9 | 170.7 | -70.6 | 170 | 0 | 0 | 0 | 113 | E718 L725 A726 | E718-L722 HydrophobicContact CG-CD1 4.23Å; E718-L722 WeakPolarHBondContact O-CB 3.45Å; E718-L722 VanDerWaalsContact O-CG 3.3Å; E718-L722 WeakPolarHBondContact O-CG 3.23Å; E718-L722 PolarHBondContact O-N 3.32Å; L722-L725 PolarHBondContact O-N 3.42Å; L722-A726 PolarHBondContact O-N 3.37Å; L722-A726 VanDerWaalsContact O-N 3.11Å |
| 723 | K | 76.6 | Confident | 67.5 | Low | 133 Ų | 133 | 99 Ų | 99 | 58% | 0.578 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -72.9 | -26.1 | 176.1 | -76.2 | 171.7 | -175.3 | 173.9 | 0 | 113.3 | T719 I720 E721 K727 | T719-K723 HydrophobicContact CG2-CD 4.31Å; T719-K723 VanDerWaalsContact O-CD 3.31Å; T719-K723 WeakPolarHBondContact O-CD 3.48Å; T719-K723 WeakPolarHBondContact O-CG 3.35Å; T719-K723 PolarHBondContact O-N 3.22Å; I720-K723 CarbonylContact O-C 3.6Å; I720-K723 PolarHBondContact O-N 3.47Å; I720-K723 VanDerWaalsContact O-N 3.13Å; E721-K723 VanDerWaalsContact C-N 3.32Å; E721-K723 PolarHBondContact O-N 3.48Å; K723-K727 WeakPolarHBondContact O-CG 3.47Å; K723-K727 PolarHBondContact O-N 2.72Å |
| 724 | Q | 73.3 | Confident | 65.6 | Low | 71 Ų | 71 | 101.9 Ų | 101.9 | 33% | 0.332 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.3 | -42.6 | 172.4 | -71 | 172.3 | 9.5 | 0 | 0 | 110.7 | I720 E721 A726 K727 N728 I1676 | I720-Q724 WeakPolarHBondContact O-CG 3.37Å; I720-Q724 PolarHBondContact O-N 3.36Å; E721-Q724 PolarHBondContact O-N 3.49Å; E721-Q724 VanDerWaalsContact O-N 3.14Å; Q724-A726 PolarHBondContact O-N 3.14Å; Q724-K727 PolarHBondContact O-N 3.24Å; Q724-N728 PolarHBondContact O-N 2.87Å; Q724-N728 VanDerWaalsContact O-N 3.12Å; Q724-I1676 HydrophobicContact CG-CD1 4.11Å |
| 725 | L | 66.8 | Low | 63.5 | Low | 60 Ų | 60 | 107.4 Ų | 107.4 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 172.4 | -71.9 | 176.8 | 0 | 0 | 0 | 112.1 | E721 L722 K727 N728 S729 L755 | E721-L725 PolarHBondContact O-N 2.91Å; L722-L725 PolarHBondContact O-N 3.42Å; L725-K727 PolarHBondContact O-N 2.86Å; L725-N728 PolarHBondContact O-N 2.78Å; L725-N728 VanDerWaalsContact O-N 3.08Å; L725-S729 PolarHBondContact O-N 3.44Å; L725-L755 HydrophobicContact CD1-CD2 3.51Å; L725-L755 HydrophobicContact CG-CD2 4.36Å |
| 726 | A | 70.3 | Confident | 61.6 | Low | 49 Ų | 49 | 111.7 Ų | 111.7 | 41% | 0.405 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.1 | -43.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L722 Q724 N728 S729 D730 | L722-A726 PolarHBondContact O-N 3.37Å; L722-A726 VanDerWaalsContact O-N 3.11Å; Q724-A726 PolarHBondContact O-N 3.14Å; A726-N728 PolarHBondContact O-N 2.77Å; A726-S729 PolarHBondContact O-N 2.92Å; A726-S729 PolarHBondContact O-OG 2.92Å; A726-D730 PolarHBondContact O-N 2.97Å |
| 727 | K | 66 | Low | 59.4 | Low | 151 Ų | 151 | 113.2 Ų | 113.2 | 66% | 0.657 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.8 | -22.4 | 175.9 | -79.2 | -173.3 | 172.7 | -172.1 | 0 | 113.9 | K723 Q724 L725 | K723-K727 WeakPolarHBondContact O-CG 3.47Å; K723-K727 PolarHBondContact O-N 2.72Å; Q724-K727 PolarHBondContact O-N 3.24Å; L725-K727 PolarHBondContact O-N 2.86Å |
| 728 | N | 60.3 | Low | 57.4 | Low | 105 Ų | 105 | 114.5 Ų | 114.5 | 56% | 0.561 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -86.2 | -17.3 | 177.9 | -71.7 | -9.9 | 0 | 0 | 0 | 113.1 | Q724 L725 A726 | Q724-N728 PolarHBondContact O-N 2.87Å; Q724-N728 VanDerWaalsContact O-N 3.12Å; L725-N728 PolarHBondContact O-N 2.78Å; L725-N728 VanDerWaalsContact O-N 3.08Å; A726-N728 PolarHBondContact O-N 2.77Å |
| 729 | S | 56.6 | Low | 55.5 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 49% | 0.49 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -78 | -40 | 169.9 | 50.3 | 0 | 0 | 0 | 0 | 113 | L725 A726 R731 | L725-S729 PolarHBondContact O-N 3.44Å; A726-S729 PolarHBondContact O-N 2.92Å; A726-S729 PolarHBondContact O-OG 2.92Å; S729-R731 VanDerWaalsContact C-N 3.27Å; S729-R731 PolarHBondContact O-N 3.29Å |
| 730 | D | 51.7 | Low | 53.4 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 68% | 0.679 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -68.1 | -25.9 | -174.9 | -64 | -22.3 | 0 | 0 | 0 | 113.2 | A726 K732 | A726-D730 PolarHBondContact O-N 2.97Å; D730-K732 PolarHBondContact O-N 3.38Å; D730-K732 VanDerWaalsContact O-N 3.09Å |
| 731 | R | 49.9 | Very low | 51.2 | Low | 216 Ų | 216 | 125 Ų | 125 | 82% | 0.815 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 14.1 | -177.4 | -75.7 | -179.8 | 162.6 | -171.5 | -6.6 | 115.3 | S729 | S729-R731 VanDerWaalsContact C-N 3.27Å; S729-R731 PolarHBondContact O-N 3.29Å |
| 732 | K | 43.4 | Very low | 49.1 | Very low | 183 Ų | 183 | 132.1 Ų | 132.1 | 80% | 0.796 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.8 | 13.3 | -179.5 | -86.8 | -173.5 | 173.9 | 178.9 | 0 | 115.4 | D730 | D730-K732 PolarHBondContact O-N 3.38Å; D730-K732 VanDerWaalsContact O-N 3.09Å |
| 733 | V | 42 | Very low | 46.9 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 75% | 0.745 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -123.3 | 80 | 172.7 | -172.6 | 0 | 0 | 0 | 0 | 110 | ||
| 734 | D | 37.3 | Very low | 44.7 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 82% | 0.824 | 72% | 0.715 | S | S | * | * | trans | 179.4 | 84.4 | 148.3 | -98.6 | -23.6 | 0 | 0 | 0 | 111.7 | ||||
| 735 | T | 35.6 | Very low | 42.6 | Very low | 134 Ų | 134 | 139.8 Ų | 139.8 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -173.6 | 152.8 | 148.1 | 10.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 736 | N | 36.8 | Very low | 40.8 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 68.1 | 108.6 | 165.7 | -58.9 | -13.5 | 0 | 0 | 0 | 118.7 | ||||
| 737 | K | 30.8 | Very low | 39 | Very low | 192 Ų | 192 | 151.5 Ų | 151.5 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | -89.7 | 152.8 | 162.2 | -68.7 | 175 | 177.3 | 172 | 0 | 110.3 | ||||
| 738 | T | 32.2 | Very low | 37.8 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | trans | 67.8 | 146.1 | 174.7 | 76.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 739 | T | 34.6 | Very low | 37 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | cis | -120.5 | -167.1 | 8.3 | 53.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 740 | K | 31.3 | Very low | 36.6 | Very low | 215 Ų | 215 | 152.3 Ų | 152.3 | 94% | 0.935 | 79% | 0.794 | S | S | * | * | trans | -80.6 | 128.4 | -172.2 | -65.1 | 174 | -179.7 | 172.4 | 0 | 112.7 | ||||
| 741 | G | 30.1 | Very low | 36.6 | Very low | 76 Ų | 76 | 150.7 Ų | 150.7 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | -154.2 | 145.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 742 | K | 31.8 | Very low | 36.8 | Very low | 196 Ų | 196 | 144.8 Ų | 144.8 | 85% | 0.852 | 77% | 0.77 | S | S | * | * | trans | -96.9 | 154.5 | 179.1 | -85.2 | -173.5 | 176 | -179.3 | 0 | 111.5 | ||||
| 743 | N | 28.3 | Very low | 37.4 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | 68.3 | 101.4 | 164.8 | -54 | -9.7 | 0 | 0 | 0 | 116.9 | ||||
| 744 | H | 30.5 | Very low | 38.4 | Very low | 198 Ų | 198 | 137.7 Ų | 137.7 | 92% | 0.917 | 74% | 0.739 | S | S | * | * | -174.7 | 127.7 | 114.2 | -100.6 | -70.4 | 0 | 0 | 0 | 110.6 | |||||
| 745 | S | 27.8 | Very low | 39.8 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | trans | -154.2 | 97 | 169.2 | -177 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 746 | L | 29.6 | Very low | 41.3 | Very low | 158 Ų | 158 | 128.2 Ų | 128.2 | 83% | 0.827 | 69% | 0.691 | S | S | * | * | trans | 176.9 | 90.4 | 165.2 | -104.6 | 157.4 | 0 | 0 | 0 | 109.3 | ||||
| 747 | K | 32.9 | Very low | 42.8 | Very low | 198 Ų | 198 | 123.8 Ų | 123.8 | 86% | 0.861 | 67% | 0.667 | S | S | * | * | trans | -173 | 95.8 | 165.8 | -111.1 | 173.2 | -176.8 | 179.9 | 0 | 108.9 | ||||
| 748 | N | 39.8 | Very low | 44.7 | Very low | 126 Ų | 126 | 118.6 Ų | 118.6 | 67% | 0.674 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -166.3 | -25.8 | 169.8 | -105.8 | -4.4 | 0 | 0 | 0 | 113.9 | T750 | N748-T750 PolarHBondContact O-N 2.8Š|
| 749 | N | 44.4 | Very low | 46.6 | Very low | 109 Ų | 109 | 113.2 Ų | 113.2 | 58% | 0.583 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -20.4 | -172.5 | -68.9 | 20.4 | 0 | 0 | 0 | 115.3 | N751 W864 | N749-N751 VanDerWaalsContact C-N 3.3Å; N749-N751 PolarHBondContact O-N 3.1Å; N749-W864 HydrophobicContact CB-CH2 4.19Å |
| 750 | T | 46.9 | Very low | 48.4 | Very low | 107 Ų | 107 | 108.5 Ų | 108.5 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.7 | -35 | -173.4 | 42.3 | 0 | 0 | 0 | 0 | 114 | N748 N752 | N748-T750 PolarHBondContact O-N 2.8Å; T750-N752 VanDerWaalsContact C-N 3.34Å; T750-N752 PolarHBondContact O-N 2.98Å |
| 751 | N | 52.9 | Low | 50.4 | Low | 94 Ų | 94 | 101.5 Ų | 101.5 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -76.9 | -22.5 | -165.5 | -60.1 | 17.2 | 0 | 0 | 0 | 112.9 | N749 L755 | N749-N751 VanDerWaalsContact C-N 3.3Å; N749-N751 PolarHBondContact O-N 3.1Å; N751-L755 WeakPolarHBondContact O-CB 3.4Å; N751-L755 PolarHBondContact O-N 2.71Å |
| 752 | N | 54.3 | Low | 52.6 | Low | 91 Ų | 91 | 101.5 Ų | 101.5 | 49% | 0.487 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74.3 | -39.8 | -176.1 | -66.9 | 1 | 0 | 0 | 0 | 112 | T750 L755 A756 | T750-N752 VanDerWaalsContact C-N 3.34Å; T750-N752 PolarHBondContact O-N 2.98Å; N752-L755 PolarHBondContact O-N 3.01Å; N752-A756 PolarHBondContact O-N 3.33Å; N752-A756 VanDerWaalsContact O-N 3.08Å |
| 753 | G | 54.5 | Low | 54.8 | Low | 28 Ų | 28 | 94.4 Ų | 94.4 | 29% | 0.289 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.5 | -41.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A756 L757 | G753-A756 PolarHBondContact O-N 3.34Å; G753-L757 WeakPolarHBondContact O-CB 3.33Å; G753-L757 PolarHBondContact O-N 3.33Å |
| 754 | E | 64.1 | Low | 57.3 | Low | 129 Ų | 129 | 87.9 Ų | 87.9 | 60% | 0.603 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -66.2 | -37.2 | 175.3 | -175.3 | 174.8 | -173.9 | 0 | 0 | 112 | L757 N758 | E754-L757 PolarHBondContact O-N 2.92Å; E754-N758 WeakPolarHBondContact O-CB 3.44Å; E754-N758 PolarHBondContact O-N 3.29Å; E754-N758 PolarHBondContact O-ND2 2.87Å |
| 755 | L | 66.3 | Low | 59.7 | Low | 40 Ų | 40 | 86.3 Ų | 86.3 | 21% | 0.209 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -62 | -50.7 | 174.7 | -177.5 | 65.2 | 0 | 0 | 0 | 111.4 | E721 L725 N751 N752 L757 N758 Q759 | E721-L755 HydrophobicContact CB-CD1 4.4Å; E721-L755 HydrophobicContact CB-CD2 4.12Å; L725-L755 HydrophobicContact CD1-CD2 3.51Å; L725-L755 HydrophobicContact CG-CD2 4.36Å; N751-L755 WeakPolarHBondContact O-CB 3.4Å; N751-L755 PolarHBondContact O-N 2.71Å; N752-L755 PolarHBondContact O-N 3.01Å; L755-L757 VanDerWaalsContact C-N 3.31Å; L755-L757 PolarHBondContact O-N 2.84Å; L755-N758 PolarHBondContact O-N 3.31Å; L755-N758 VanDerWaalsContact O-N 3.12Å; L755-Q759 HydrophobicContact CD1-CG 4.45Å; L755-Q759 HydrophobicContact CG-CG 4.45Å; L755-Q759 VanDerWaalsContact O-CG 3.31Å; L755-Q759 WeakPolarHBondContact O-CG 3.08Å; L755-Q759 PolarHBondContact O-N 2.94Å |
| 756 | A | 66.6 | Low | 62.3 | Low | 50 Ų | 50 | 84.9 Ų | 84.9 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -58.7 | -41.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N752 G753 N758 Q759 L760 | N752-A756 PolarHBondContact O-N 3.33Å; N752-A756 VanDerWaalsContact O-N 3.08Å; G753-A756 PolarHBondContact O-N 3.34Å; A756-N758 VanDerWaalsContact C-N 3.32Å; A756-N758 PolarHBondContact O-N 2.86Å; A756-Q759 PolarHBondContact O-N 3.03Å; A756-L760 WeakPolarHBondContact O-CB 3.49Å; A756-L760 PolarHBondContact O-N 3.13Å |
| 757 | L | 69.8 | Low | 64.8 | Low | 61 Ų | 61 | 77.4 Ų | 77.4 | 32% | 0.319 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.3 | -41.4 | 175.8 | -163.4 | 81.5 | 0 | 0 | 0 | 112.1 | G753 E754 L755 K761 F856 | G753-L757 WeakPolarHBondContact O-CB 3.33Å; G753-L757 PolarHBondContact O-N 3.33Å; E754-L757 PolarHBondContact O-N 2.92Å; L755-L757 VanDerWaalsContact C-N 3.31Å; L755-L757 PolarHBondContact O-N 2.84Å; L757-K761 HydrophobicContact CG-CD 4.4Å; L757-K761 WeakPolarHBondContact O-CB 3.5Å; L757-K761 VanDerWaalsContact O-CG 3.28Å; L757-K761 WeakPolarHBondContact O-CG 3.5Å; L757-K761 PolarHBondContact O-N 2.75Å; L757-F856 HydrophobicContact CD1-CD1 3.57Å; L757-F856 HydrophobicContact CD1-CE1 3.5Å; L757-F856 HydrophobicContact CG-CE1 4.2Å |
| 758 | N | 71 | Confident | 67.3 | Low | 82 Ų | 82 | 70 Ų | 70 | 44% | 0.439 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -74.6 | -35.6 | 179.6 | -77.2 | -46.1 | 0 | 0 | 0 | 112.8 | E754 L755 A756 R762 | E754-N758 WeakPolarHBondContact O-CB 3.44Å; E754-N758 PolarHBondContact O-N 3.29Å; E754-N758 PolarHBondContact O-ND2 2.87Å; L755-N758 PolarHBondContact O-N 3.31Å; L755-N758 VanDerWaalsContact O-N 3.12Å; A756-N758 VanDerWaalsContact C-N 3.32Å; A756-N758 PolarHBondContact O-N 2.86Å; N758-R762 WeakPolarHBondContact O-CB 3.41Å; N758-R762 PolarHBondContact O-N 3.25Å |
| 759 | Q | 71.3 | Confident | 69.5 | Low | 23 Ų | 23 | 67.7 Ų | 67.7 | 11% | 0.107 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -61.8 | -48.6 | 172.1 | -72.4 | 163.7 | -19.8 | 0 | 0 | 111 | E721 L755 A756 R762 R763 | E721-Q759 WeakPolarHBondContact OE2-CG 3.19Å; E721-Q759 PolarHBondContact OE2-NE2 2.96Å; L755-Q759 HydrophobicContact CD1-CG 4.45Å; L755-Q759 HydrophobicContact CG-CG 4.45Å; L755-Q759 VanDerWaalsContact O-CG 3.31Å; L755-Q759 WeakPolarHBondContact O-CG 3.08Å; L755-Q759 PolarHBondContact O-N 2.94Å; A756-Q759 PolarHBondContact O-N 3.03Å; Q759-R762 WeakPolarHBondContact O-CB 3.33Å; Q759-R762 PolarHBondContact O-N 3.07Å; Q759-R762 VanDerWaalsContact O-N 3.12Å; Q759-R763 PolarHBondContact O-N 3.39Å |
| 760 | L | 71.5 | Confident | 71.6 | Confident | 40 Ų | 40 | 62.7 Ų | 62.7 | 21% | 0.209 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.2 | -50.2 | 176.5 | -166.3 | 73.5 | 0 | 0 | 0 | 111.5 | A756 R762 R763 Q764 F856 | A756-L760 WeakPolarHBondContact O-CB 3.49Å; A756-L760 PolarHBondContact O-N 3.13Å; L760-R762 PolarHBondContact O-N 2.95Å; L760-R762 VanDerWaalsContact O-N 3.14Å; L760-R763 PolarHBondContact O-N 3.21Å; L760-R763 VanDerWaalsContact O-N 3.17Å; L760-Q764 WeakPolarHBondContact O-CG 3.43Å; L760-Q764 PolarHBondContact O-N 2.87Å; L760-F856 HydrophobicContact CD2-CD1 3.78Å; L760-F856 HydrophobicContact CD2-CE1 3.75Å; L760-F856 HydrophobicContact CD2-CG 4.34Å; L760-F856 HydrophobicContact CD2-CZ 4.28Å |
| 761 | K | 74.7 | Confident | 73.6 | Confident | 67 Ų | 67 | 57.8 Ų | 57.8 | 29% | 0.291 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -20.3 | 176.1 | -75.7 | 175.8 | 177.3 | -179.6 | 0 | 113.7 | L757 R765 F856 | L757-K761 HydrophobicContact CG-CD 4.4Å; L757-K761 WeakPolarHBondContact O-CB 3.5Å; L757-K761 VanDerWaalsContact O-CG 3.28Å; L757-K761 WeakPolarHBondContact O-CG 3.5Å; L757-K761 PolarHBondContact O-N 2.75Å; K761-R765 WeakPolarHBondContact O-CG 3.47Å; K761-R765 PolarHBondContact O-NE 2.89Å; K761-F856 HydrophobicContact CD-CZ 4.35Å; K761-F856 HydrophobicContact CG-CE1 4.13Å; K761-F856 HydrophobicContact CG-CZ 3.76Å |
| 762 | R | 75.8 | Confident | 75.3 | Confident | 76 Ų | 76 | 57.4 Ų | 57.4 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -82.7 | -47.1 | 172.8 | -179 | 174.5 | 175.6 | -171 | -5.3 | 111.7 | N758 Q759 L760 Q764 R765 H766 | N758-R762 WeakPolarHBondContact O-CB 3.41Å; N758-R762 PolarHBondContact O-N 3.25Å; Q759-R762 WeakPolarHBondContact O-CB 3.33Å; Q759-R762 PolarHBondContact O-N 3.07Å; Q759-R762 VanDerWaalsContact O-N 3.12Å; L760-R762 PolarHBondContact O-N 2.95Å; L760-R762 VanDerWaalsContact O-N 3.14Å; R762-Q764 PolarHBondContact O-N 3.32Å; R762-R765 PolarHBondContact O-N 2.56Å; R762-H766 PolarHBondContact O-CD2 3.06Å; R762-H766 PolarHBondContact O-N 2.7Å |
| 763 | R | 78.7 | Confident | 76.9 | Confident | 48 Ų | 48 | 53.9 Ų | 53.9 | 18% | 0.181 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -54.2 | -50.9 | 175.6 | -176.2 | -176.3 | -172.2 | 124.6 | 6.3 | 111.3 | C714 D715 Q759 L760 R765 H766 L767 T853 | C714-R763 HydrophobicContact CB-CB 4.24Å; C714-R763 HydrophobicContact CB-CG 4.22Å; D715-R763 IonicContact OD1-CZ 2.67Å; D715-R763 IonicContact OD1-NH1 2.76Å; D715-R763 PolarHBondContact OD1-NH1 3.15Å; D715-R763 IonicContact OD1-NH2 3.68Å; Q759-R763 PolarHBondContact O-N 3.39Å; L760-R763 PolarHBondContact O-N 3.21Å; L760-R763 VanDerWaalsContact O-N 3.17Å; R763-R765 PolarHBondContact O-N 3.06Å; R763-H766 PolarHBondContact O-N 3.22Å; R763-L767 HydrophobicContact CG-CD1 3.85Å; R763-L767 WeakPolarHBondContact O-CG 3.4Å; R763-L767 PolarHBondContact O-N 3.3Å; R763-T853 HydrophobicContact CG-CG2 4.34Å |
| 764 | Q | 79.5 | Confident | 78.7 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.019 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -55.2 | -46.7 | 178.8 | -71.4 | 176.8 | -2.8 | 0 | 0 | 112.6 | L760 R762 L768 T853 F854 | L760-Q764 WeakPolarHBondContact O-CG 3.43Å; L760-Q764 PolarHBondContact O-N 2.87Å; R762-Q764 PolarHBondContact O-N 3.32Å; Q764-L768 WeakPolarHBondContact O-CB 3.39Å; Q764-L768 PolarHBondContact O-N 3.13Å; Q764-T853 PolarHBondContact NE2-O 3.04Å; Q764-F854 HydrophobicContact CB-CD1 4.09Å; Q764-F854 HydrophobicContact CB-CE1 3.61Å; Q764-F854 HydrophobicContact CB-CZ 4.4Å; Q764-F854 HydrophobicContact CG-CD1 3.58Å; Q764-F854 HydrophobicContact CG-CE1 3.59Å; Q764-F854 HydrophobicContact CG-CG 4.41Å; Q764-F854 HydrophobicContact CG-CZ 4.42Å |
| 765 | R | 80.7 | Confident | 80.1 | Confident | 165 Ų | 165 | 46.8 Ų | 46.8 | 62% | 0.623 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.1 | -42.8 | -179.3 | -76.8 | -177.6 | -66.5 | 147 | -2.7 | 113.6 | K761 R762 R763 S769 | K761-R765 WeakPolarHBondContact O-CG 3.47Å; K761-R765 PolarHBondContact O-NE 2.89Å; R762-R765 PolarHBondContact O-N 2.56Å; R763-R765 PolarHBondContact O-N 3.06Å; R765-S769 WeakPolarHBondContact O-CB 3.31Å; R765-S769 PolarHBondContact O-N 2.76Å |
| 766 | H | 82.1 | Confident | 81.2 | Confident | 87 Ų | 87 | 50.7 Ų | 50.7 | 40% | 0.403 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -67.7 | -38.6 | -179.1 | -71.1 | -63 | 0 | 0 | 0 | 112.2 | I710 R762 R763 L770 | I710-H766 HydrophobicContact CG2-CB 3.7Å; R762-H766 PolarHBondContact O-CD2 3.06Å; R762-H766 PolarHBondContact O-N 2.7Å; R763-H766 PolarHBondContact O-N 3.22Å; H766-L770 PolarHBondContact O-N 3.06Å |
| 767 | L | 84 | Confident | 82.5 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -68.4 | -48.7 | 177.3 | -65.5 | 166.7 | 0 | 0 | 0 | 111.5 | L707 I710 R763 S769 L770 L771 F850 T853 | L707-L767 HydrophobicContact CB-CD2 4.42Å; L707-L767 HydrophobicContact CD2-CD2 3.75Å; I710-L767 HydrophobicContact CB-CD2 4.1Å; I710-L767 HydrophobicContact CG2-CD2 3.74Å; I710-L767 HydrophobicContact CG2-CG 4.01Å; R763-L767 HydrophobicContact CG-CD1 3.85Å; R763-L767 WeakPolarHBondContact O-CG 3.4Å; R763-L767 PolarHBondContact O-N 3.3Å; L767-S769 VanDerWaalsContact C-N 3.32Å; L767-S769 PolarHBondContact O-N 3.34Å; L767-L770 PolarHBondContact O-N 2.97Å; L767-L771 WeakPolarHBondContact O-CG 3.47Å; L767-L771 PolarHBondContact O-N 3.18Å; L767-L771 VanDerWaalsContact O-N 3.1Å; L767-F850 HydrophobicContact CD1-CE1 4.23Å; L767-T853 HydrophobicContact CD1-CG2 4.42Å |
| 768 | L | 84.3 | Confident | 83.6 | Confident | 44 Ų | 44 | 45.8 Ų | 45.8 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.6 | -39.3 | 179.1 | -162.1 | 80.3 | 0 | 0 | 0 | 112.2 | Q764 L771 M772 L891 | Q764-L768 WeakPolarHBondContact O-CB 3.39Å; Q764-L768 PolarHBondContact O-N 3.13Å; L768-L771 PolarHBondContact O-N 3.34Å; L768-M772 WeakPolarHBondContact O-CB 3.35Å; L768-M772 PolarHBondContact O-N 2.85Å; L768-L891 HydrophobicContact CD1-CD1 3.57Å; L768-L891 HydrophobicContact CD1-CG 4.16Å; L768-L891 HydrophobicContact CG-CD1 4.02Å |
| 769 | S | 86 | Confident | 84.5 | Confident | 77 Ų | 77 | 44.8 Ų | 44.8 | 54% | 0.538 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -65.4 | -41.4 | 178.2 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | R765 L767 S773 | R765-S769 WeakPolarHBondContact O-CB 3.31Å; R765-S769 PolarHBondContact O-N 2.76Å; L767-S769 VanDerWaalsContact C-N 3.32Å; L767-S769 PolarHBondContact O-N 3.34Å; S769-S773 PolarHBondContact O-N 2.93Å |
| 770 | L | 88.5 | Confident | 85.3 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.5 | -47.5 | 175.7 | -173.1 | 70.3 | 0 | 0 | 0 | 110.9 | L651 L655 M706 L707 I710 H766 L767 M772 S773 V774 | L651-L770 HydrophobicContact CD1-CD1 3.93Å; L651-L770 HydrophobicContact CD2-CD1 3.96Å; L651-L770 HydrophobicContact CG-CD1 4.3Å; L655-L770 HydrophobicContact CD1-CD1 4.03Å; L655-L770 HydrophobicContact CD2-CD1 4.31Å; M706-L770 HydrophobicContact CB-CD2 3.77Å; L707-L770 HydrophobicContact CD2-CB 4.48Å; L707-L770 HydrophobicContact CD2-CD2 3.8Å; L707-L770 HydrophobicContact CG-CD2 3.91Å; I710-L770 HydrophobicContact CD1-CB 4.27Å; I710-L770 HydrophobicContact CD1-CD2 3.8Å; H766-L770 PolarHBondContact O-N 3.06Å; L767-L770 PolarHBondContact O-N 2.97Å; L770-M772 PolarHBondContact O-N 3.41Å; L770-S773 PolarHBondContact O-N 2.78Å; L770-V774 VanDerWaalsContact O-CG2 3.31Å; L770-V774 WeakPolarHBondContact O-CG2 3.43Å; L770-V774 PolarHBondContact O-N 2.88Å |
| 771 | L | 88.2 | Confident | 86.2 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | -179.1 | -70.8 | 165.8 | 0 | 0 | 0 | 112.5 | L707 L767 L768 S773 V774 I775 I844 W888 L891 | L707-L771 HydrophobicContact CD1-CD2 3.93Å; L707-L771 HydrophobicContact CD2-CD1 4.46Å; L707-L771 HydrophobicContact CD2-CD2 4.17Å; L707-L771 HydrophobicContact CD2-CG 4.03Å; L767-L771 WeakPolarHBondContact O-CG 3.47Å; L767-L771 PolarHBondContact O-N 3.18Å; L767-L771 VanDerWaalsContact O-N 3.1Å; L768-L771 PolarHBondContact O-N 3.34Å; L771-S773 VanDerWaalsContact C-N 3.3Å; L771-S773 PolarHBondContact O-N 2.94Å; L771-V774 PolarHBondContact O-N 2.76Å; L771-V774 VanDerWaalsContact O-N 3.16Å; L771-I775 WeakPolarHBondContact O-CB 3.37Å; L771-I775 WeakPolarHBondContact O-CG1 3.36Å; L771-I775 PolarHBondContact O-N 2.85Å; L771-I844 HydrophobicContact CD2-CD1 3.62Å; L771-W888 HydrophobicContact CD1-CE3 4.12Å; L771-W888 HydrophobicContact CD1-CZ3 3.86Å; L771-L891 HydrophobicContact CB-CD1 3.67Å |
| 772 | M | 88.7 | Confident | 86.9 | Confident | 85 Ų | 85 | 43.3 Ų | 43.3 | 42% | 0.419 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.3 | -37.7 | 176.9 | -169.3 | 64 | 171.7 | 0 | 0 | 112.2 | L768 L770 V774 K776 L891 | L768-M772 WeakPolarHBondContact O-CB 3.35Å; L768-M772 PolarHBondContact O-N 2.85Å; L770-M772 PolarHBondContact O-N 3.41Å; M772-V774 VanDerWaalsContact C-N 3.32Å; M772-K776 WeakPolarHBondContact O-CB 3.43Å; M772-K776 PolarHBondContact O-N 3.22Å; M772-K776 VanDerWaalsContact O-N 3.11Å; M772-L891 HydrophobicContact CB-CD1 4.4Å; M772-L891 HydrophobicContact SD-CD2 3.61Å |
| 773 | S | 89.4 | Confident | 87.5 | Confident | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -74.1 | -22.3 | 177.3 | -150.6 | 0 | 0 | 0 | 0 | 112.9 | S769 L770 L771 R777 | S769-S773 PolarHBondContact O-N 2.93Å; L770-S773 PolarHBondContact O-N 2.78Å; L771-S773 VanDerWaalsContact C-N 3.3Å; L771-S773 PolarHBondContact O-N 2.94Å; S773-R777 PolarHBondContact O-NH1 2.86Å; S773-R777 PolarHBondContact OG-NH1 3.47Å |
| 774 | V | 92.4 | Very high | 87.9 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.006 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -79.6 | -49.5 | 172.3 | 168 | 0 | 0 | 0 | 0 | 111.2 | L655 I659 V703 L770 L771 M772 K776 R777 F778 L840 | L655-V774 HydrophobicContact CD1-CG2 4.23Å; L655-V774 HydrophobicContact CD2-CG2 3.96Å; I659-V774 HydrophobicContact CD1-CB 4.23Å; I659-V774 HydrophobicContact CD1-CG1 3.89Å; I659-V774 HydrophobicContact CD1-CG2 4.05Å; V703-V774 HydrophobicContact CG1-CG1 4.29Å; V703-V774 HydrophobicContact CG1-CG2 3.71Å; V703-V774 HydrophobicContact CG2-CG2 3.94Å; L770-V774 VanDerWaalsContact O-CG2 3.31Å; L770-V774 WeakPolarHBondContact O-CG2 3.43Å; L770-V774 PolarHBondContact O-N 2.88Å; L771-V774 PolarHBondContact O-N 2.76Å; L771-V774 VanDerWaalsContact O-N 3.16Å; M772-V774 VanDerWaalsContact C-N 3.32Å; V774-K776 VanDerWaalsContact C-N 3.31Å; V774-K776 PolarHBondContact O-N 2.83Å; V774-R777 PolarHBondContact O-N 3.19Å; V774-F778 HydrophobicContact CG1-CD2 4.17Å; V774-F778 HydrophobicContact CG1-CE2 3.69Å; V774-F778 HydrophobicContact CG1-CZ 4.47Å; V774-F778 PolarHBondContact O-N 2.93Å; V774-L840 HydrophobicContact CG1-CD2 3.77Å |
| 775 | I | 92 | Very high | 88.2 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 4% | 0.041 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.3 | -44.1 | 178.3 | -76.4 | 164.7 | 0 | 0 | 0 | 110.8 | L771 R777 F778 H779 L891 Q894 L895 I898 | L771-I775 WeakPolarHBondContact O-CB 3.37Å; L771-I775 WeakPolarHBondContact O-CG1 3.36Å; L771-I775 PolarHBondContact O-N 2.85Å; I775-R777 VanDerWaalsContact C-N 3.27Å; I775-R777 PolarHBondContact O-N 2.57Å; I775-F778 PolarHBondContact O-N 3.24Å; I775-F778 VanDerWaalsContact O-N 3.15Å; I775-H779 PolarHBondContact O-CD2 2.87Å; I775-H779 PolarHBondContact O-N 3.42Å; I775-L891 HydrophobicContact CD1-CB 3.78Å; I775-L891 HydrophobicContact CD1-CD1 4.4Å; I775-L891 HydrophobicContact CD1-CD2 3.94Å; I775-L891 HydrophobicContact CD1-CG 4.24Å; I775-L891 WeakPolarHBondContact CD1-O 3.44Å; I775-Q894 HydrophobicContact CG2-CB 4.4Å; I775-L895 HydrophobicContact CD1-CB 4.41Å; I775-L895 HydrophobicContact CG1-CB 4.49Å; I775-I898 HydrophobicContact CB-CD1 4.33Å; I775-I898 HydrophobicContact CG1-CD1 4.35Å; I775-I898 HydrophobicContact CG2-CD1 3.87Å |
| 776 | K | 90.8 | Very high | 88.5 | Confident | 121 Ų | 121 | 43.9 Ų | 43.9 | 53% | 0.526 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -52.7 | -44.2 | 173.8 | -166.9 | -156.3 | 167.8 | -162.3 | 0 | 112.2 | M772 V774 F778 H779 D780 | M772-K776 WeakPolarHBondContact O-CB 3.43Å; M772-K776 PolarHBondContact O-N 3.22Å; M772-K776 VanDerWaalsContact O-N 3.11Å; V774-K776 VanDerWaalsContact C-N 3.31Å; V774-K776 PolarHBondContact O-N 2.83Å; K776-F778 VanDerWaalsContact C-N 3.32Å; K776-F778 PolarHBondContact O-N 3.48Å; K776-H779 CarbonylContact O-C 3.57Å; K776-H779 PolarHBondContact O-N 3.44Å; K776-H779 VanDerWaalsContact O-N 3.13Å; K776-D780 WeakPolarHBondContact CE-OD2 3.2Å; K776-D780 IonicContact NZ-OD2 3.75Å; K776-D780 VanDerWaalsContact O-CG 3.24Å; K776-D780 PolarHBondContact O-N 2.9Å |
| 777 | R | 92.2 | Very high | 88.5 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 2% | 0.023 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -72.3 | -22.4 | -177 | -75.7 | 175.8 | 176 | 79.9 | 9.6 | 114.5 | E652 D656 I659 S773 V774 I775 F781 | E652-R777 PolarHBondContact O-NH2 2.94Å; D656-R777 WeakPolarHBondContact OD1-CD 3.38Å; D656-R777 IonicContact OD1-CZ 3.03Å; D656-R777 IonicContact OD1-NE 2.91Å; D656-R777 PolarHBondContact OD1-NE 3.4Å; D656-R777 IonicContact OD1-NH2 2.81Å; D656-R777 IonicContact OD2-CZ 3.31Å; D656-R777 IonicContact OD2-NE 3.31Å; D656-R777 PolarHBondContact OD2-NE 2.85Å; D656-R777 IonicContact OD2-NH2 3.18Å; D656-R777 PolarHBondContact OD2-NH2 3.46Å; I659-R777 HydrophobicContact CB-CB 4.38Å; I659-R777 HydrophobicContact CD1-CB 4.3Å; I659-R777 HydrophobicContact CG2-CB 4.12Å; S773-R777 PolarHBondContact O-NH1 2.86Å; S773-R777 PolarHBondContact OG-NH1 3.47Å; V774-R777 PolarHBondContact O-N 3.19Å; I775-R777 VanDerWaalsContact C-N 3.27Å; I775-R777 PolarHBondContact O-N 2.57Å; R777-F781 WeakPolarHBondContact O-CB 3.47Å; R777-F781 PolarHBondContact O-N 2.81Å; R777-F781 VanDerWaalsContact O-N 3.14Å |
| 778 | F | 93 | Very high | 88.5 | Confident | 3 Ų | 3 | 43.9 Ų | 43.9 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.9 | -39 | 168.1 | -71.2 | -51.6 | 0 | 0 | 0 | 111.3 | I659 L663 V774 I775 K776 F781 E782 W833 A837 L840 L895 I898 | I659-F778 HydrophobicContact CG2-CD1 4.15Å; I659-F778 HydrophobicContact CG2-CE1 4.01Å; L663-F778 HydrophobicContact CD1-CD1 4.31Å; L663-F778 HydrophobicContact CD1-CE1 4.18Å; V774-F778 HydrophobicContact CG1-CD2 4.17Å; V774-F778 HydrophobicContact CG1-CE2 3.69Å; V774-F778 HydrophobicContact CG1-CZ 4.47Å; V774-F778 PolarHBondContact O-N 2.93Å; I775-F778 PolarHBondContact O-N 3.24Å; I775-F778 VanDerWaalsContact O-N 3.15Å; K776-F778 VanDerWaalsContact C-N 3.32Å; K776-F778 PolarHBondContact O-N 3.48Å; F778-F781 CarbonylContact O-C 3.45Å; F778-F781 WeakPolarHBondContact O-CB 3.49Å; F778-F781 PolarHBondContact O-N 3.44Å; F778-F781 VanDerWaalsContact O-N 3.15Å; F778-E782 PolarHBondContact O-N 2.89Å; F778-W833 AromaticContact CD1-CD1 3.41Å; F778-W833 VanDerWaalsContact CD1-CD1 3.41Å; F778-W833 AromaticContact CD1-NE1 3.38Å; F778-W833 AromaticContact CE1-CD1 3.85Å; F778-W833 AromaticContact CG-NE1 3.82Å; F778-A837 HydrophobicContact CZ-CB 4.36Å; F778-L840 HydrophobicContact CE2-CD2 4.02Å; F778-L840 HydrophobicContact CZ-CD2 4.37Å; F778-L895 HydrophobicContact CD2-CD1 4.12Å; F778-L895 HydrophobicContact CE2-CD1 4.02Å; F778-I898 HydrophobicContact CB-CD1 3.77Å; F778-I898 HydrophobicContact CB-CG1 4.22Å; F778-I898 HydrophobicContact CB-CG2 3.75Å; F778-I898 HydrophobicContact CD2-CD1 4.3Å; F778-I898 HydrophobicContact CD2-CG2 4.27Å; F778-I898 HydrophobicContact CG-CG2 4.04Å |
| 779 | H | 91 | Very high | 88.3 | Confident | 60 Ų | 60 | 43.9 Ų | 43.9 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -68.8 | -36.6 | 170.7 | -62.1 | -62.3 | 0 | 0 | 0 | 112.8 | I775 K776 F781 E782 L783 | I775-H779 PolarHBondContact O-CD2 2.87Å; I775-H779 PolarHBondContact O-N 3.42Å; K776-H779 CarbonylContact O-C 3.57Å; K776-H779 PolarHBondContact O-N 3.44Å; K776-H779 VanDerWaalsContact O-N 3.13Å; H779-F781 PolarHBondContact O-N 2.89Å; H779-E782 IonicContact CE1-OE2 3.5Å; H779-E782 IonicContact CG-OE2 2.68Å; H779-E782 IonicContact ND1-OE2 3.55Å; H779-E782 PolarHBondContact ND1-OE2 2.88Å; H779-E782 WeakPolarHBondContact O-CB 3.39Å; H779-E782 PolarHBondContact O-N 3.16Å; H779-L783 WeakPolarHBondContact O-CG 3.41Å; H779-L783 PolarHBondContact O-N 2.76Å; H779-L783 VanDerWaalsContact O-N 3.08Å |
| 780 | D | 88.1 | Confident | 87.9 | Confident | 55 Ų | 55 | 44.5 Ų | 44.5 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -64.9 | -15.7 | 171.5 | -59.5 | -39.8 | 0 | 0 | 0 | 112.1 | K776 | K776-D780 WeakPolarHBondContact CE-OD2 3.2Å; K776-D780 IonicContact NZ-OD2 3.75Å; K776-D780 VanDerWaalsContact O-CG 3.24Å; K776-D780 PolarHBondContact O-N 2.9Å |
| 781 | F | 89.8 | Confident | 87.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -94.2 | -38.4 | 171.6 | -175.9 | -93.2 | 0 | 0 | 0 | 112.7 | L663 K664 R777 F778 H779 L783 Y784 V785 W833 | L663-F781 HydrophobicContact CB-CD2 3.76Å; L663-F781 HydrophobicContact CB-CE2 3.49Å; L663-F781 VanDerWaalsContact CB-CE2 3.49Å; L663-F781 HydrophobicContact CB-CG 4.44Å; L663-F781 HydrophobicContact CB-CZ 3.96Å; L663-F781 HydrophobicContact CD1-CD1 4.34Å; L663-F781 HydrophobicContact CD1-CD2 4.27Å; L663-F781 HydrophobicContact CD1-CG 4.15Å; K664-F781 HydrophobicContact CG-CD2 3.93Å; K664-F781 HydrophobicContact CG-CE2 3.74Å; R777-F781 WeakPolarHBondContact O-CB 3.47Å; R777-F781 PolarHBondContact O-N 2.81Å; R777-F781 VanDerWaalsContact O-N 3.14Å; F778-F781 CarbonylContact O-C 3.45Å; F778-F781 WeakPolarHBondContact O-CB 3.49Å; F778-F781 PolarHBondContact O-N 3.44Å; F778-F781 VanDerWaalsContact O-N 3.15Å; H779-F781 PolarHBondContact O-N 2.89Å; F781-L783 VanDerWaalsContact C-N 3.33Å; F781-L783 PolarHBondContact O-N 3.49Å; F781-Y784 HydrophobicContact CD2-CD1 4.08Å; F781-Y784 AromaticContact CE2-CD1 3.78Å; F781-Y784 HydrophobicContact CE2-CD1 3.78Å; F781-Y784 HydrophobicContact CE2-CE1 4.15Å; F781-Y784 HydrophobicContact CZ-CD1 4.36Å; F781-Y784 CarbonylContact O-C 3.54Å; F781-Y784 WeakPolarHBondContact O-CA 3.39Å; F781-Y784 WeakPolarHBondContact O-CB 3.16Å; F781-Y784 PolarHBondContact O-N 3.18Å; F781-V785 HydrophobicContact CD1-CG2 3.87Å; F781-V785 HydrophobicContact CE1-CG2 3.38Å; F781-V785 HydrophobicContact CZ-CG2 3.9Å; F781-V785 PolarHBondContact O-N 3.13Å; F781-W833 HydrophobicContact CD1-CB 3.98Å; F781-W833 AromaticContact CD1-CD2 3.58Å; F781-W833 HydrophobicContact CD1-CD2 3.58Å; F781-W833 AromaticContact CD1-CE3 3.81Å; F781-W833 HydrophobicContact CD1-CE3 3.81Å; F781-W833 AromaticContact CD1-CG 3.66Å; F781-W833 HydrophobicContact CD1-CG 3.66Å; F781-W833 HydrophobicContact CE1-CB 3.61Å; F781-W833 AromaticContact CE1-CD2 3.85Å; F781-W833 HydrophobicContact CE1-CD2 3.85Å; F781-W833 AromaticContact CE1-CE3 3.81Å; F781-W833 HydrophobicContact CE1-CE3 3.81Å; F781-W833 AromaticContact CE1-CG 3.79Å; F781-W833 HydrophobicContact CE1-CG 3.79Å |
| 782 | E | 90.5 | Very high | 86.1 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 21% | 0.206 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -51.5 | -49.5 | 170.5 | -179.3 | -176.2 | 169.7 | 0 | 0 | 111.6 | F778 H779 Y784 V785 Y786 W833 T901 Y905 | F778-E782 PolarHBondContact O-N 2.89Å; H779-E782 IonicContact CE1-OE2 3.5Å; H779-E782 IonicContact CG-OE2 2.68Å; H779-E782 IonicContact ND1-OE2 3.55Å; H779-E782 PolarHBondContact ND1-OE2 2.88Å; H779-E782 WeakPolarHBondContact O-CB 3.39Å; H779-E782 PolarHBondContact O-N 3.16Å; E782-Y784 PolarHBondContact O-N 3.36Å; E782-V785 WeakPolarHBondContact O-CB 3.33Å; E782-V785 PolarHBondContact O-N 2.82Å; E782-V785 VanDerWaalsContact O-N 3.09Å; E782-Y786 PolarHBondContact O-N 2.66Å; E782-W833 HydrophobicContact CB-CH2 3.62Å; E782-W833 HydrophobicContact CB-CZ2 3.92Å; E782-W833 HydrophobicContact CG-CH2 3.86Å; E782-W833 HydrophobicContact CG-CZ2 4.48Å; E782-T901 HydrophobicContact CG-CG2 4.17Å; E782-Y905 HydrophobicContact CG-CE2 4.05Å |
| 783 | L | 87.3 | Confident | 84.5 | Confident | 112 Ų | 112 | 55.6 Ų | 55.6 | 59% | 0.586 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -60.3 | -31.4 | 174.7 | -68.2 | 173.4 | 0 | 0 | 0 | 113 | H779 F781 E787 | H779-L783 WeakPolarHBondContact O-CG 3.41Å; H779-L783 PolarHBondContact O-N 2.76Å; H779-L783 VanDerWaalsContact O-N 3.08Å; F781-L783 VanDerWaalsContact C-N 3.33Å; F781-L783 PolarHBondContact O-N 3.49Å; L783-E787 WeakPolarHBondContact O-CB 3.22Å; L783-E787 PolarHBondContact O-N 2.95Å |
| 784 | Y | 87.8 | Confident | 82.8 | Confident | 71 Ų | 71 | 57 Ų | 57 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -75.7 | -33.8 | 175.2 | 168.1 | -98.3 | 0 | 0 | 0 | 112.7 | K664 H667 F781 E782 S788 | K664-Y784 HydrophobicContact CB-CE1 4.43Å; K664-Y784 HydrophobicContact CD-CD1 3.92Å; K664-Y784 HydrophobicContact CD-CD2 4.13Å; K664-Y784 HydrophobicContact CD-CE1 4.04Å; K664-Y784 HydrophobicContact CD-CE2 4.25Å; K664-Y784 HydrophobicContact CD-CG 3.96Å; K664-Y784 HydrophobicContact CG-CD1 3.81Å; K664-Y784 HydrophobicContact CG-CE1 3.65Å; K664-Y784 HydrophobicContact CG-CG 4.37Å; H667-Y784 PolarHBondContact CD2-OH 2.94Å; H667-Y784 AromaticContact NE2-CE1 3.8Å; F781-Y784 HydrophobicContact CD2-CD1 4.08Å; F781-Y784 AromaticContact CE2-CD1 3.78Å; F781-Y784 HydrophobicContact CE2-CD1 3.78Å; F781-Y784 HydrophobicContact CE2-CE1 4.15Å; F781-Y784 HydrophobicContact CZ-CD1 4.36Å; F781-Y784 CarbonylContact O-C 3.54Å; F781-Y784 WeakPolarHBondContact O-CA 3.39Å; F781-Y784 WeakPolarHBondContact O-CB 3.16Å; F781-Y784 PolarHBondContact O-N 3.18Å; E782-Y784 PolarHBondContact O-N 3.36Å; Y784-S788 VanDerWaalsContact O-CB 3.29Å; Y784-S788 WeakPolarHBondContact O-CB 3.26Å; Y784-S788 PolarHBondContact O-N 3.13Å; Y784-S788 PolarHBondContact O-OG 3.48Å |
| 785 | V | 86.2 | Confident | 80.3 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.2 | -49.2 | 171.9 | 173.2 | 0 | 0 | 0 | 0 | 109.5 | F781 E782 E787 S788 I789 V830 W833 Y905 | F781-V785 HydrophobicContact CD1-CG2 3.87Å; F781-V785 HydrophobicContact CE1-CG2 3.38Å; F781-V785 HydrophobicContact CZ-CG2 3.9Å; F781-V785 PolarHBondContact O-N 3.13Å; E782-V785 WeakPolarHBondContact O-CB 3.33Å; E782-V785 PolarHBondContact O-N 2.82Å; E782-V785 VanDerWaalsContact O-N 3.09Å; V785-E787 PolarHBondContact O-N 2.92Å; V785-S788 WeakPolarHBondContact O-CA 3.39Å; V785-S788 WeakPolarHBondContact O-CB 3.49Å; V785-S788 PolarHBondContact O-N 3.47Å; V785-I789 HydrophobicContact CG1-CD1 3.92Å; V785-I789 HydrophobicContact CG1-CG1 4.44Å; V785-I789 WeakPolarHBondContact O-CG1 3.49Å; V785-I789 PolarHBondContact O-N 2.8Å; V785-V830 HydrophobicContact CB-CG2 4.47Å; V785-V830 HydrophobicContact CG1-CG2 3.68Å; V785-V830 HydrophobicContact CG2-CG2 3.87Å; V785-W833 HydrophobicContact CG2-CE3 4.21Å; V785-W833 HydrophobicContact CG2-CZ3 4.24Å; V785-Y905 HydrophobicContact CG1-CD1 4.19Å; V785-Y905 HydrophobicContact CG1-CG 4.16Å |
| 786 | Y | 85.8 | Confident | 77.9 | Confident | 123 Ų | 123 | 64.7 Ų | 64.7 | 48% | 0.482 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -55.5 | -50.4 | 175.7 | -179.6 | -96.4 | 0 | 0 | 0 | 112.5 | E782 S788 I789 K790 | E782-Y786 PolarHBondContact O-N 2.66Å; Y786-S788 PolarHBondContact O-N 2.93Å; Y786-I789 PolarHBondContact O-N 2.86Å; Y786-K790 WeakPolarHBondContact O-CB 3.41Å; Y786-K790 PolarHBondContact O-N 2.99Å |
| 787 | E | 82.5 | Confident | 75.1 | Confident | 64 Ų | 64 | 62 Ų | 62 | 30% | 0.299 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.9 | -24.1 | 174.8 | -87 | -69.9 | 132.3 | 0 | 0 | 113.9 | L783 V785 K790 R791 | L783-E787 WeakPolarHBondContact O-CB 3.22Å; L783-E787 PolarHBondContact O-N 2.95Å; V785-E787 PolarHBondContact O-N 2.92Å; E787-K790 VanDerWaalsContact OE1-CD 3.32Å; E787-K790 WeakPolarHBondContact OE1-CD 3.23Å; E787-R791 WeakPolarHBondContact O-CD 3.18Å; E787-R791 WeakPolarHBondContact O-CG 3.39Å; E787-R791 PolarHBondContact O-NE 3.17Å; E787-R791 IonicContact OE2-CZ 3.84Å; E787-R791 IonicContact OE2-NE 2.69Å; E787-R791 PolarHBondContact OE2-NE 3.05Å; E787-R791 IonicContact OE2-NH2 2.74Å; E787-R791 PolarHBondContact OE2-NH2 2.88Å |
| 788 | S | 83.4 | Confident | 72.3 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 15% | 0.154 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -80.1 | -40.7 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | Y784 V785 Y786 K790 R791 I792 | Y784-S788 VanDerWaalsContact O-CB 3.29Å; Y784-S788 WeakPolarHBondContact O-CB 3.26Å; Y784-S788 PolarHBondContact O-N 3.13Å; Y784-S788 PolarHBondContact O-OG 3.48Å; V785-S788 WeakPolarHBondContact O-CA 3.39Å; V785-S788 WeakPolarHBondContact O-CB 3.49Å; V785-S788 PolarHBondContact O-N 3.47Å; Y786-S788 PolarHBondContact O-N 2.93Å; S788-K790 VanDerWaalsContact C-N 3.34Å; S788-R791 PolarHBondContact O-N 3.38Å; S788-R791 VanDerWaalsContact O-N 3.12Å; S788-I792 PolarHBondContact O-N 2.95Å |
| 789 | I | 80.9 | Confident | 69.5 | Low | 45 Ų | 45 | 68.6 Ų | 68.6 | 23% | 0.231 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -58.5 | -48.4 | 172.7 | -65.7 | 168.8 | 0 | 0 | 0 | 109.6 | V785 Y786 R791 I792 L826 Y905 L909 | V785-I789 HydrophobicContact CG1-CD1 3.92Å; V785-I789 HydrophobicContact CG1-CG1 4.44Å; V785-I789 WeakPolarHBondContact O-CG1 3.49Å; V785-I789 PolarHBondContact O-N 2.8Å; Y786-I789 PolarHBondContact O-N 2.86Å; I789-R791 PolarHBondContact O-N 2.99Å; I789-I792 PolarHBondContact O-N 3.21Å; I789-L826 HydrophobicContact CG1-CD2 3.88Å; I789-Y905 HydrophobicContact CD1-CD1 3.58Å; I789-Y905 HydrophobicContact CD1-CE1 3.9Å; I789-L909 HydrophobicContact CD1-CD2 4.49Å; I789-L909 HydrophobicContact CD1-CG 4.45Å; I789-L909 HydrophobicContact CG1-CD2 4.15Å |
| 790 | K | 78.3 | Confident | 66.8 | Low | 89 Ų | 89 | 71.3 Ų | 71.3 | 39% | 0.387 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -22.1 | 174.7 | 171.3 | 173.7 | -178.2 | 108.6 | 0 | 115 | Y786 E787 S788 Y1596 | Y786-K790 WeakPolarHBondContact O-CB 3.41Å; Y786-K790 PolarHBondContact O-N 2.99Å; E787-K790 VanDerWaalsContact OE1-CD 3.32Å; E787-K790 WeakPolarHBondContact OE1-CD 3.23Å; S788-K790 VanDerWaalsContact C-N 3.34Å; K790-Y1596 WeakPolarHBondContact CD-OH 3.32Å; K790-Y1596 WeakPolarHBondContact CE-OH 3.43Å; K790-Y1596 HydrophobicContact CG-CE1 4.32Å; K790-Y1596 HydrophobicContact CG-CE2 4.5Å; K790-Y1596 VanDerWaalsContact CG-OH 3.32Å; K790-Y1596 WeakPolarHBondContact CG-OH 3.47Å; K790-Y1596 PolarHBondContact NZ-OH 3.45Å |
| 791 | R | 71.1 | Confident | 64.4 | Low | 185 Ų | 185 | 70.1 Ų | 70.1 | 70% | 0.698 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.1 | -2.9 | -178.2 | -66.2 | 167.6 | -163.2 | -142.6 | 1.9 | 113.5 | E787 S788 I789 D793 | E787-R791 WeakPolarHBondContact O-CD 3.18Å; E787-R791 WeakPolarHBondContact O-CG 3.39Å; E787-R791 PolarHBondContact O-NE 3.17Å; E787-R791 IonicContact OE2-CZ 3.84Å; E787-R791 IonicContact OE2-NE 2.69Å; E787-R791 PolarHBondContact OE2-NE 3.05Å; E787-R791 IonicContact OE2-NH2 2.74Å; E787-R791 PolarHBondContact OE2-NH2 2.88Å; S788-R791 PolarHBondContact O-N 3.38Å; S788-R791 VanDerWaalsContact O-N 3.12Å; I789-R791 PolarHBondContact O-N 2.99Å; R791-D793 PolarHBondContact O-N 2.84Å |
| 792 | I | 67.7 | Low | 61.6 | Low | 26 Ų | 26 | 76.3 Ų | 76.3 | 13% | 0.133 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -80 | 105.9 | 164.1 | -66.6 | 172.3 | 0 | 0 | 0 | 105.3 | S788 I789 L794 F823 L826 | S788-I792 PolarHBondContact O-N 2.95Å; I789-I792 PolarHBondContact O-N 3.21Å; I792-L794 HydrophobicContact CG2-CD2 3.92Å; I792-L794 PolarHBondContact O-N 3.27Å; I792-L794 VanDerWaalsContact O-N 3.12Å; I792-F823 HydrophobicContact CD1-CD2 3.91Å; I792-F823 HydrophobicContact CD1-CE2 4.32Å; I792-F823 HydrophobicContact CG2-CD2 4.15Å; I792-L826 HydrophobicContact CD1-CD2 3.54Å |
| 793 | D | 54.2 | Low | 58.7 | Low | 116 Ų | 116 | 82 Ų | 82 | 62% | 0.62 | 38% | 0.383 | S | S | * | . | trans | -69.4 | 109 | 178.8 | -162.2 | -16.5 | 0 | 0 | 0 | 109.1 | R791 N795 | R791-D793 PolarHBondContact O-N 2.84Å; D793-N795 PolarHBondContact O-N 2.88Å; D793-N795 WeakPolarHBondContact OD1-CB 3.43Å; D793-N795 PolarHBondContact OD1-N 2.87Å; D793-N795 PolarHBondContact OD1-ND2 3.45Å | ||
| 794 | L | 53.7 | Low | 56 | Low | 46 Ų | 46 | 81.4 Ų | 81.4 | 24% | 0.241 | 38% | 0.381 | C | S | . | . | trans | -83.2 | 8 | -177.3 | -62.1 | 177.2 | 0 | 0 | 0 | 112.7 | I792 Y796 L912 L916 L1592 | I792-L794 HydrophobicContact CG2-CD2 3.92Å; I792-L794 PolarHBondContact O-N 3.27Å; I792-L794 VanDerWaalsContact O-N 3.12Å; L794-Y796 PolarHBondContact O-N 2.96Å; L794-L912 HydrophobicContact CD1-CD2 4.26Å; L794-L912 HydrophobicContact CD2-CD2 4.07Å; L794-L916 HydrophobicContact CD2-CD1 4.12Å; L794-L1592 HydrophobicContact CD1-CD2 4.29Å | ||
| 795 | N | 40.3 | Very low | 53.6 | Low | 90 Ų | 90 | 85.4 Ų | 85.4 | 48% | 0.481 | 40% | 0.397 | S | S | . | . | trans | -71.1 | 50.9 | 168.7 | -72.3 | -75.9 | 0 | 0 | 0 | 112.6 | D793 S797 L1593 | D793-N795 PolarHBondContact O-N 2.88Å; D793-N795 WeakPolarHBondContact OD1-CB 3.43Å; D793-N795 PolarHBondContact OD1-N 2.87Å; D793-N795 PolarHBondContact OD1-ND2 3.45Å; N795-S797 VanDerWaalsContact C-N 3.27Å; N795-S797 PolarHBondContact O-N 2.89Å; N795-S797 VanDerWaalsContact O-N 3.17Å; N795-L1593 WeakPolarHBondContact OD1-CD1 3.45Å; N795-L1593 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 796 | Y | 42.2 | Very low | 50.7 | Low | 80 Ų | 80 | 89.5 Ų | 89.5 | 31% | 0.314 | 43% | 0.425 | S | S | . | . | trans | -85.3 | 74.2 | 166.9 | -156.5 | -78.8 | 0 | 0 | 0 | 108.9 | L794 I801 L816 | L794-Y796 PolarHBondContact O-N 2.96Å; Y796-I801 HydrophobicContact CE1-CD1 4.18Å; Y796-I801 HydrophobicContact CE1-CG1 3.86Å; Y796-L816 HydrophobicContact CE2-CD1 3.55Å; Y796-L816 VanDerWaalsContact OH-CD1 3.3Å; Y796-L816 WeakPolarHBondContact OH-CD1 3.24Å | ||
| 797 | S | 30.7 | Very low | 47.9 | Very low | 65 Ų | 65 | 89.2 Ų | 89.2 | 46% | 0.455 | 44% | 0.436 | S | S | . | . | trans | -71.9 | 145.4 | -179.9 | 54.2 | 0 | 0 | 0 | 0 | 111.9 | N795 I799 E800 | N795-S797 VanDerWaalsContact C-N 3.27Å; N795-S797 PolarHBondContact O-N 2.89Å; N795-S797 VanDerWaalsContact O-N 3.17Å; S797-I799 PolarHBondContact O-N 3.08Å; S797-E800 PolarHBondContact O-N 2.98Å | ||
| 798 | D | 34.1 | Very low | 45.3 | Very low | 36 Ų | 36 | 93 Ų | 93 | 19% | 0.193 | 46% | 0.464 | C | S | . | . | G | 310 helix | trans | -70.6 | -16.4 | -157.8 | -45.5 | -81.6 | 0 | 0 | 0 | 113.3 | E800 I801 L1588 H1589 | D798-E800 PolarHBondContact O-N 2.81Å; D798-I801 PolarHBondContact O-N 2.79Å; D798-L1588 HydrophobicContact CB-CB 4.26Å; D798-L1588 WeakPolarHBondContact OD1-CB 3.37Å; D798-L1588 VanDerWaalsContact OD1-CD1 3.3Å; D798-L1588 WeakPolarHBondContact OD1-CD1 3.3Å; D798-H1589 VanDerWaalsContact CG-CB 3.49Å; D798-H1589 IonicContact OD1-CG 3.73Å; D798-H1589 WeakPolarHBondContact OD2-CB 3.44Å; D798-H1589 IonicContact OD2-CG 3.19Å; D798-H1589 IonicContact OD2-ND1 2.83Å |
| 799 | I | 34.5 | Very low | 42.6 | Very low | 112 Ų | 112 | 100.8 Ų | 100.8 | 57% | 0.574 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -58.4 | -13.2 | -179.5 | -64.8 | 172.8 | 0 | 0 | 0 | 113 | S797 R803 | S797-I799 PolarHBondContact O-N 3.08Å; I799-R803 PolarHBondContact O-NH1 3.32Å |
| 800 | E | 33.1 | Very low | 40.1 | Very low | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | -102.5 | -14.9 | 172.9 | -64.7 | -148.4 | 144.5 | 0 | 0 | 115.8 | S797 D798 N804 | S797-E800 PolarHBondContact O-N 2.98Å; D798-E800 PolarHBondContact O-N 2.81Å; E800-N804 PolarHBondContact O-ND2 2.83Å |
| 801 | I | 38.7 | Very low | 37.6 | Very low | 31 Ų | 31 | 107.6 Ų | 107.6 | 16% | 0.159 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -72.8 | -44.7 | -179.8 | -62.4 | -174.8 | 0 | 0 | 0 | 110.7 | Y796 D798 R803 N804 L1588 | Y796-I801 HydrophobicContact CE1-CD1 4.18Å; Y796-I801 HydrophobicContact CE1-CG1 3.86Å; D798-I801 PolarHBondContact O-N 2.79Å; I801-R803 PolarHBondContact O-N 3.41Å; I801-N804 PolarHBondContact O-N 2.69Å; I801-L1588 HydrophobicContact CD1-CD1 4.17Å |
| 802 | E | 30.5 | Very low | 35.6 | Very low | 130 Ų | 130 | 103.9 Ų | 103.9 | 61% | 0.607 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.9 | -38.6 | -177.3 | -61.7 | -154.7 | 116.8 | 0 | 0 | 113.4 | N804 Y805 S806 | E802-N804 VanDerWaalsContact C-N 3.31Å; E802-N804 PolarHBondContact O-N 2.99Å; E802-Y805 PolarHBondContact O-N 2.91Å; E802-S806 WeakPolarHBondContact O-CB 3.44Å; E802-S806 PolarHBondContact O-OG 3.03Å |
| 803 | R | 29.7 | Very low | 33.9 | Very low | 162 Ų | 162 | 107.8 Ų | 107.8 | 61% | 0.611 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -64.8 | -32.2 | -178.9 | -70.2 | -165.5 | 175.4 | 98 | -2.4 | 113.4 | I799 I801 S806 | I799-R803 PolarHBondContact O-NH1 3.32Å; I801-R803 PolarHBondContact O-N 3.41Å; R803-S806 PolarHBondContact O-OG 2.76Å |
| 804 | N | 31.2 | Very low | 32.9 | Very low | 100 Ų | 100 | 107 Ų | 107 | 54% | 0.535 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -82.3 | -9.6 | -176 | -78.1 | -71.6 | 0 | 0 | 0 | 114.4 | E800 I801 E802 | E800-N804 PolarHBondContact O-ND2 2.83Å; I801-N804 PolarHBondContact O-N 2.69Å; E802-N804 VanDerWaalsContact C-N 3.31Å; E802-N804 PolarHBondContact O-N 2.99Å |
| 805 | Y | 36.4 | Very low | 32 | Very low | 156 Ų | 156 | 112 Ų | 112 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 4 | 176.7 | -74.1 | -75.5 | 0 | 0 | 0 | 114.4 | E802 | E802-Y805 PolarHBondContact O-N 2.91Š|
| 806 | S | 25.3 | Very low | 32 | Very low | 86 Ų | 86 | 112.5 Ų | 112.5 | 60% | 0.601 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -116.8 | 15.5 | -172.5 | 51.1 | 0 | 0 | 0 | 0 | 114.8 | E802 R803 | E802-S806 WeakPolarHBondContact O-CB 3.44Å; E802-S806 PolarHBondContact O-OG 3.03Å; R803-S806 PolarHBondContact O-OG 2.76Å |
| 807 | T | 27.7 | Very low | 32.7 | Very low | 117 Ų | 117 | 111.9 Ų | 111.9 | 72% | 0.718 | 61% | 0.607 | S | S | * | * | trans | -140.3 | 96.9 | 174.8 | 18.5 | 0 | 0 | 0 | 0 | 114.5 | K809 | T807-K809 VanDerWaalsContact C-N 3.34Å; T807-K809 PolarHBondContact O-N 2.65Å | ||
| 808 | T | 27.5 | Very low | 34 | Very low | 142 Ų | 142 | 112.6 Ų | 112.6 | 87% | 0.871 | 61% | 0.606 | S | S | * | * | trans | -79.3 | 75.6 | 166.5 | 52.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 809 | K | 27.3 | Very low | 35.4 | Very low | 187 Ų | 187 | 114.1 Ų | 114.1 | 81% | 0.813 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -173.2 | 113.8 | 154.8 | -101.3 | 145.3 | -171.3 | 176.6 | 0 | 113.3 | T807 | T807-K809 VanDerWaalsContact C-N 3.34Å; T807-K809 PolarHBondContact O-N 2.65Å |
| 810 | S | 27.2 | Very low | 37.1 | Very low | 108 Ų | 108 | 111 Ų | 111 | 76% | 0.755 | 60% | 0.601 | S | S | * | * | trans | 49.8 | 79.8 | 149.1 | 60.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 811 | L | 26.6 | Very low | 39.1 | Very low | 168 Ų | 168 | 108.8 Ų | 108.8 | 88% | 0.88 | 59% | 0.588 | S | S | * | * | trans | -159 | 150.5 | 139.9 | -132.7 | 69.9 | 0 | 0 | 0 | 109.3 | ||||
| 812 | P | 28.9 | Very low | 40.9 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 70% | 0.701 | 61% | 0.606 | S | S | * | * | trans | -93.9 | 129.2 | 178.4 | 33.1 | -28.2 | 0 | 0 | 0 | 112.1 | P814 | P812-P814 WeakPolarHBondContact O-CD 3.22Š| ||
| 813 | P | 32.4 | Very low | 43.4 | Very low | 107 Ų | 107 | 107.7 Ų | 107.7 | 70% | 0.695 | 58% | 0.58 | S | S | * | * | trans | -85.1 | 123 | -178.5 | 31.5 | -32.8 | 0 | 0 | 0 | 112.5 | ||||
| 814 | P | 32 | Very low | 46 | Very low | 101 Ų | 101 | 101.5 Ų | 101.5 | 66% | 0.656 | 56% | 0.559 | S | S | * | * | trans | -115 | 0.3 | -177.7 | 36.1 | -22.8 | 0 | 0 | 0 | 115.4 | P812 | P812-P814 WeakPolarHBondContact O-CD 3.22Š| ||
| 815 | L | 34.8 | Very low | 48.5 | Very low | 150 Ų | 150 | 97.5 Ų | 97.5 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -100 | -34.3 | -170.9 | -70.7 | 169.1 | 0 | 0 | 0 | 114.7 | S817 | L815-S817 VanDerWaalsContact C-N 3.28Å; L815-S817 PolarHBondContact O-N 3.45Å |
| 816 | L | 41.5 | Very low | 51 | Low | 100 Ų | 100 | 90.4 Ų | 90.4 | 52% | 0.524 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.6 | -24 | -174.9 | -175.6 | 54 | 0 | 0 | 0 | 113.9 | Y796 D818 | Y796-L816 HydrophobicContact CE2-CD1 3.55Å; Y796-L816 VanDerWaalsContact OH-CD1 3.3Å; Y796-L816 WeakPolarHBondContact OH-CD1 3.24Å; L816-D818 VanDerWaalsContact C-N 3.29Å; L816-D818 PolarHBondContact O-N 3.16Å |
| 817 | S | 56.6 | Low | 54.1 | Low | 67 Ų | 67 | 86.4 Ų | 86.4 | 47% | 0.469 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.5 | -25.1 | -174.8 | 54.2 | 0 | 0 | 0 | 0 | 114.9 | L815 R821 | L815-S817 VanDerWaalsContact C-N 3.28Å; L815-S817 PolarHBondContact O-N 3.45Å; S817-R821 WeakPolarHBondContact O-CB 3.38Å; S817-R821 PolarHBondContact O-N 2.81Å |
| 818 | D | 57.3 | Low | 57.1 | Low | 80 Ų | 80 | 84 Ų | 84 | 43% | 0.428 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -92.4 | -28.7 | -162.7 | -83.7 | 29.9 | 0 | 0 | 0 | 113.4 | L816 K822 | L816-D818 VanDerWaalsContact C-N 3.29Å; L816-D818 PolarHBondContact O-N 3.16Å; D818-K822 WeakPolarHBondContact O-CD 3.21Å; D818-K822 WeakPolarHBondContact O-CG 3.34Å; D818-K822 PolarHBondContact O-N 2.81Å; D818-K822 VanDerWaalsContact O-N 3.12Å |
| 819 | V | 65.1 | Low | 60.1 | Low | 69 Ų | 69 | 77.3 Ų | 77.3 | 42% | 0.418 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -71 | -48.8 | 169 | -177.6 | 0 | 0 | 0 | 0 | 109.7 | R821 K822 F823 | V819-R821 VanDerWaalsContact C-N 3.31Å; V819-R821 PolarHBondContact O-N 3.24Å; V819-K822 WeakPolarHBondContact O-CB 3.44Å; V819-K822 PolarHBondContact O-N 2.99Å; V819-K822 VanDerWaalsContact O-N 3.12Å; V819-F823 PolarHBondContact O-N 3.02Å |
| 820 | D | 70.2 | Confident | 63.3 | Low | 46 Ų | 46 | 68.4 Ų | 68.4 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 179 | -159.5 | 17.9 | 0 | 0 | 0 | 111.2 | F823 I824 R913 | D820-F823 PolarHBondContact O-N 2.68Å; D820-I824 WeakPolarHBondContact O-CD1 3.32Å; D820-I824 VanDerWaalsContact O-CG1 3.25Å; D820-I824 WeakPolarHBondContact O-CG1 3.3Å; D820-I824 PolarHBondContact O-N 3.04Å; D820-R913 IonicContact OD1-CZ 2.88Å; D820-R913 IonicContact OD1-NE 3.23Å; D820-R913 PolarHBondContact OD1-NE 2.81Å; D820-R913 IonicContact OD1-NH2 3.99Å; D820-R913 PolarHBondContact OD1-NH2 2.99Å; D820-R913 IonicContact OD2-NH2 2.76Å; D820-R913 PolarHBondContact OD2-NH2 3.37Å |
| 821 | R | 74.2 | Confident | 66.4 | Low | 69 Ų | 69 | 63.3 Ų | 63.3 | 26% | 0.26 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60 | -52.7 | 169.3 | 179.8 | -175 | -67.7 | -158.1 | 4.4 | 112.2 | R670 N671 S817 V819 F823 I824 D825 | R670-R821 PolarHBondContact O-NH1 3.01Å; N671-R821 VanDerWaalsContact OD1-CD 3.24Å; N671-R821 WeakPolarHBondContact OD1-CD 3.23Å; N671-R821 PolarHBondContact OD1-NH1 3.38Å; S817-R821 WeakPolarHBondContact O-CB 3.38Å; S817-R821 PolarHBondContact O-N 2.81Å; V819-R821 VanDerWaalsContact C-N 3.31Å; V819-R821 PolarHBondContact O-N 3.24Å; R821-F823 PolarHBondContact O-N 3.48Å; R821-I824 PolarHBondContact O-N 3.04Å; R821-D825 VanDerWaalsContact CG-OD2 3.28Å; R821-D825 WeakPolarHBondContact CG-OD2 3.34Å; R821-D825 WeakPolarHBondContact O-CB 3.33Å; R821-D825 PolarHBondContact O-N 3.26Å |
| 822 | K | 76.7 | Confident | 69.6 | Low | 126 Ų | 126 | 55.6 Ų | 55.6 | 55% | 0.548 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -55.7 | -38.4 | 178.8 | -73.8 | 163.2 | -172 | 170.1 | 0 | 111.2 | D818 V819 D825 L826 | D818-K822 WeakPolarHBondContact O-CD 3.21Å; D818-K822 WeakPolarHBondContact O-CG 3.34Å; D818-K822 PolarHBondContact O-N 2.81Å; D818-K822 VanDerWaalsContact O-N 3.12Å; V819-K822 WeakPolarHBondContact O-CB 3.44Å; V819-K822 PolarHBondContact O-N 2.99Å; V819-K822 VanDerWaalsContact O-N 3.12Å; K822-D825 PolarHBondContact O-N 2.96Å; K822-L826 WeakPolarHBondContact O-CB 3.33Å; K822-L826 PolarHBondContact O-N 3.09Å |
| 823 | F | 82.1 | Confident | 72.7 | Confident | 13 Ų | 13 | 50.4 Ų | 50.4 | 6% | 0.057 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -50.1 | 177.4 | -155.5 | -70.8 | 0 | 0 | 0 | 112.5 | I792 V819 D820 R821 D825 L826 I827 L909 L912 R913 | I792-F823 HydrophobicContact CD1-CD2 3.91Å; I792-F823 HydrophobicContact CD1-CE2 4.32Å; I792-F823 HydrophobicContact CG2-CD2 4.15Å; V819-F823 PolarHBondContact O-N 3.02Å; D820-F823 PolarHBondContact O-N 2.68Å; R821-F823 PolarHBondContact O-N 3.48Å; F823-D825 VanDerWaalsContact C-N 3.26Å; F823-D825 PolarHBondContact O-N 2.88Å; F823-L826 PolarHBondContact O-N 3.23Å; F823-L826 VanDerWaalsContact O-N 3.15Å; F823-I827 HydrophobicContact CD1-CD1 3.83Å; F823-I827 HydrophobicContact CD1-CG1 4.13Å; F823-I827 HydrophobicContact CE1-CD1 3.85Å; F823-I827 HydrophobicContact CE1-CG1 4.08Å; F823-I827 PolarHBondContact O-N 2.87Å; F823-L909 HydrophobicContact CE1-CB 4.27Å; F823-L909 HydrophobicContact CE1-CD2 3.98Å; F823-L909 VanDerWaalsContact CE1-O 3.23Å; F823-L909 WeakPolarHBondContact CE1-O 3.21Å; F823-L909 HydrophobicContact CE2-CD2 4.13Å; F823-L909 HydrophobicContact CZ-CB 4.35Å; F823-L909 HydrophobicContact CZ-CD2 3.57Å; F823-L909 VanDerWaalsContact CZ-O 3.25Å; F823-L909 WeakPolarHBondContact CZ-O 3.39Å; F823-L912 HydrophobicContact CE2-CD2 4.03Å; F823-L912 HydrophobicContact CE2-CG 4.46Å; F823-L912 HydrophobicContact CZ-CB 4.33Å; F823-L912 HydrophobicContact CZ-CD2 4.12Å; F823-L912 HydrophobicContact CZ-CG 4.38Å; F823-R913 HydrophobicContact CD1-CB 4.25Å; F823-R913 HydrophobicContact CD1-CG 4.23Å; F823-R913 HydrophobicContact CE1-CB 3.71Å; F823-R913 HydrophobicContact CE1-CG 4.2Å; F823-R913 HydrophobicContact CZ-CB 4.12Å |
| 824 | I | 84.6 | Confident | 75.7 | Confident | 32 Ų | 32 | 45.3 Ų | 45.3 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -57.5 | -42 | 174.8 | -68 | 162.5 | 0 | 0 | 0 | 110.7 | D820 R821 I827 K828 | D820-I824 WeakPolarHBondContact O-CD1 3.32Å; D820-I824 VanDerWaalsContact O-CG1 3.25Å; D820-I824 WeakPolarHBondContact O-CG1 3.3Å; D820-I824 PolarHBondContact O-N 3.04Å; R821-I824 PolarHBondContact O-N 3.04Å; I824-I827 PolarHBondContact O-N 2.84Å; I824-K828 WeakPolarHBondContact O-CG 3.47Å; I824-K828 PolarHBondContact O-N 3.42Å; I824-K828 VanDerWaalsContact O-N 3.07Å |
| 825 | D | 83.6 | Confident | 78.7 | Confident | 16 Ų | 16 | 40.6 Ų | 40.6 | 9% | 0.086 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -70.2 | -31.9 | 179.5 | -68.8 | -26.9 | 0 | 0 | 0 | 111.9 | H667 R821 K822 F823 K828 S829 | H667-D825 PolarHBondContact CE1-O 2.99Å; H667-D825 VanDerWaalsContact ND1-C 3.33Å; H667-D825 PolarHBondContact ND1-O 3Å; R821-D825 VanDerWaalsContact CG-OD2 3.28Å; R821-D825 WeakPolarHBondContact CG-OD2 3.34Å; R821-D825 WeakPolarHBondContact O-CB 3.33Å; R821-D825 PolarHBondContact O-N 3.26Å; K822-D825 PolarHBondContact O-N 2.96Å; F823-D825 VanDerWaalsContact C-N 3.26Å; F823-D825 PolarHBondContact O-N 2.88Å; D825-K828 PolarHBondContact O-N 2.88Å; D825-K828 IonicContact OD1-NZ 2.93Å; D825-K828 PolarHBondContact OD1-NZ 3.04Å; D825-S829 PolarHBondContact O-N 2.79Å |
| 826 | L | 89.4 | Confident | 81.5 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -47.6 | 169.9 | -173.6 | 58.2 | 0 | 0 | 0 | 111.7 | I789 I792 K822 F823 K828 S829 V830 L909 | I789-L826 HydrophobicContact CG1-CD2 3.88Å; I792-L826 HydrophobicContact CD1-CD2 3.54Å; K822-L826 WeakPolarHBondContact O-CB 3.33Å; K822-L826 PolarHBondContact O-N 3.09Å; F823-L826 PolarHBondContact O-N 3.23Å; F823-L826 VanDerWaalsContact O-N 3.15Å; L826-K828 VanDerWaalsContact C-N 3.3Å; L826-K828 PolarHBondContact O-N 2.75Å; L826-S829 PolarHBondContact O-N 2.83Å; L826-V830 HydrophobicContact CD1-CG2 4.3Å; L826-V830 WeakPolarHBondContact O-CG2 3.31Å; L826-V830 PolarHBondContact O-N 2.87Å; L826-V830 VanDerWaalsContact O-N 3.09Å; L826-L909 HydrophobicContact CD2-CD1 4.02Å; L826-L909 HydrophobicContact CD2-CD2 3.84Å; L826-L909 HydrophobicContact CG-CD1 3.89Å; L826-L909 HydrophobicContact CG-CD2 4.47Å |
| 827 | I | 91.1 | Very high | 84.1 | Confident | 3 Ų | 3 | 28.7 Ų | 28.7 | 2% | 0.015 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -51.8 | -48.7 | 173.6 | -69.9 | 173 | 0 | 0 | 0 | 110.4 | F823 I824 S829 V830 T831 L906 L909 I1009 C1012 | F823-I827 HydrophobicContact CD1-CD1 3.83Å; F823-I827 HydrophobicContact CD1-CG1 4.13Å; F823-I827 HydrophobicContact CE1-CD1 3.85Å; F823-I827 HydrophobicContact CE1-CG1 4.08Å; F823-I827 PolarHBondContact O-N 2.87Å; I824-I827 PolarHBondContact O-N 2.84Å; I827-S829 VanDerWaalsContact C-N 3.34Å; I827-S829 PolarHBondContact O-N 3.32Å; I827-V830 PolarHBondContact O-N 3.11Å; I827-T831 VanDerWaalsContact O-CB 3.24Å; I827-T831 WeakPolarHBondContact O-CB 3.25Å; I827-T831 PolarHBondContact O-N 2.97Å; I827-T831 PolarHBondContact O-OG1 3.46Å; I827-L906 HydrophobicContact CG2-CD1 4.05Å; I827-L909 HydrophobicContact CG1-CB 4.39Å; I827-I1009 HydrophobicContact CD1-CG1 4.4Å; I827-C1012 HydrophobicContact CG2-CB 4.16Å |
| 828 | K | 90.6 | Very high | 85.9 | Confident | 67 Ų | 67 | 26.4 Ų | 26.4 | 29% | 0.291 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -57.1 | -42.7 | -179.4 | -70.4 | 169.9 | -167.3 | 154.7 | 0 | 113.2 | V666 I824 D825 L826 T831 A832 C1012 | V666-K828 HydrophobicContact CG1-CB 3.83Å; I824-K828 WeakPolarHBondContact O-CG 3.47Å; I824-K828 PolarHBondContact O-N 3.42Å; I824-K828 VanDerWaalsContact O-N 3.07Å; D825-K828 PolarHBondContact O-N 2.88Å; D825-K828 IonicContact OD1-NZ 2.93Å; D825-K828 PolarHBondContact OD1-NZ 3.04Å; L826-K828 VanDerWaalsContact C-N 3.3Å; L826-K828 PolarHBondContact O-N 2.75Å; K828-T831 WeakPolarHBondContact O-CB 3.39Å; K828-T831 PolarHBondContact O-N 2.86Å; K828-A832 WeakPolarHBondContact O-CB 3.26Å; K828-A832 PolarHBondContact O-N 3.25Å; K828-C1012 HydrophobicContact CG-CB 4.41Å |
| 829 | S | 90 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -75.9 | -36.3 | -177.5 | -60.4 | 0 | 0 | 0 | 0 | 113 | L663 H667 D825 L826 I827 T831 A832 W833 | L663-S829 WeakPolarHBondContact O-CB 3.29Å; L663-S829 PolarHBondContact O-OG 3.25Å; H667-S829 WeakPolarHBondContact CE1-CB 3.24Å; H667-S829 PolarHBondContact CE1-OG 3.48Å; H667-S829 PolarHBondContact ND1-OG 2.89Å; H667-S829 VanDerWaalsContact ND1-OG 3.16Å; H667-S829 PolarHBondContact NE2-OG 3.07Å; H667-S829 VanDerWaalsContact NE2-OG 3.14Å; D825-S829 PolarHBondContact O-N 2.79Å; L826-S829 PolarHBondContact O-N 2.83Å; I827-S829 VanDerWaalsContact C-N 3.34Å; I827-S829 PolarHBondContact O-N 3.32Å; S829-T831 VanDerWaalsContact C-N 3.32Å; S829-A832 PolarHBondContact O-N 2.75Å; S829-W833 WeakPolarHBondContact O-CB 3.4Å; S829-W833 PolarHBondContact O-N 3Å |
| 830 | V | 93.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 170.8 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | V785 L826 I827 W833 L834 A902 L906 L909 | V785-V830 HydrophobicContact CB-CG2 4.47Å; V785-V830 HydrophobicContact CG1-CG2 3.68Å; V785-V830 HydrophobicContact CG2-CG2 3.87Å; L826-V830 HydrophobicContact CD1-CG2 4.3Å; L826-V830 WeakPolarHBondContact O-CG2 3.31Å; L826-V830 PolarHBondContact O-N 2.87Å; L826-V830 VanDerWaalsContact O-N 3.09Å; I827-V830 PolarHBondContact O-N 3.11Å; V830-W833 HydrophobicContact CG1-CE3 4.28Å; V830-W833 WeakPolarHBondContact O-CB 3.31Å; V830-W833 PolarHBondContact O-N 3.07Å; V830-L834 PolarHBondContact O-N 2.96Å; V830-A902 WeakPolarHBondContact CG1-O 3.43Å; V830-L906 HydrophobicContact CB-CD1 4.43Å; V830-L906 HydrophobicContact CG1-CB 3.87Å; V830-L906 HydrophobicContact CG1-CD1 4.38Å; V830-L909 HydrophobicContact CG2-CD1 3.88Å |
| 831 | T | 94.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.006 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -60.4 | -45.8 | 173.2 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | I827 K828 S829 W833 L834 A835 L906 L1013 A1016 V1018 | I827-T831 VanDerWaalsContact O-CB 3.24Å; I827-T831 WeakPolarHBondContact O-CB 3.25Å; I827-T831 PolarHBondContact O-N 2.97Å; I827-T831 PolarHBondContact O-OG1 3.46Å; K828-T831 WeakPolarHBondContact O-CB 3.39Å; K828-T831 PolarHBondContact O-N 2.86Å; S829-T831 VanDerWaalsContact C-N 3.32Å; T831-W833 VanDerWaalsContact C-N 3.34Å; T831-L834 PolarHBondContact O-N 3.43Å; T831-A835 WeakPolarHBondContact O-CB 3.41Å; T831-A835 PolarHBondContact O-N 3.11Å; T831-L906 WeakPolarHBondContact OG1-CD1 3.32Å; T831-L1013 HydrophobicContact CG2-CD2 4.08Å; T831-A1016 HydrophobicContact CG2-CB 3.58Å; T831-V1018 HydrophobicContact CG2-CG2 3.5Å |
| 832 | A | 92 | Very high | 90.6 | Very high | 6 Ų | 6 | 21.4 Ų | 21.4 | 5% | 0.05 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66.9 | -34.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L663 V666 K828 S829 N836 | L663-A832 HydrophobicContact CD2-CB 4.13Å; V666-A832 HydrophobicContact CG2-CB 4.36Å; K828-A832 WeakPolarHBondContact O-CB 3.26Å; K828-A832 PolarHBondContact O-N 3.25Å; S829-A832 PolarHBondContact O-N 2.75Å; A832-N836 WeakPolarHBondContact O-CB 3.48Å; A832-N836 PolarHBondContact O-N 2.82Å; A832-N836 PolarHBondContact O-ND2 2.97Å |
| 833 | W | 94.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.1 | -50.1 | 173.2 | 173.6 | 32.3 | 0 | 0 | 0 | 111.3 | L663 F778 F781 E782 V785 S829 V830 T831 A835 N836 A837 I898 T901 A902 Y905 | L663-W833 HydrophobicContact CD1-CB 4.3Å; L663-W833 HydrophobicContact CD2-CB 4.39Å; F778-W833 AromaticContact CD1-CD1 3.41Å; F778-W833 VanDerWaalsContact CD1-CD1 3.41Å; F778-W833 AromaticContact CD1-NE1 3.38Å; F778-W833 AromaticContact CE1-CD1 3.85Å; F778-W833 AromaticContact CG-NE1 3.82Å; F781-W833 HydrophobicContact CD1-CB 3.98Å; F781-W833 AromaticContact CD1-CD2 3.58Å; F781-W833 HydrophobicContact CD1-CD2 3.58Å; F781-W833 AromaticContact CD1-CE3 3.81Å; F781-W833 HydrophobicContact CD1-CE3 3.81Å; F781-W833 AromaticContact CD1-CG 3.66Å; F781-W833 HydrophobicContact CD1-CG 3.66Å; F781-W833 HydrophobicContact CE1-CB 3.61Å; F781-W833 AromaticContact CE1-CD2 3.85Å; F781-W833 HydrophobicContact CE1-CD2 3.85Å; F781-W833 AromaticContact CE1-CE3 3.81Å; F781-W833 HydrophobicContact CE1-CE3 3.81Å; F781-W833 AromaticContact CE1-CG 3.79Å; F781-W833 HydrophobicContact CE1-CG 3.79Å; E782-W833 HydrophobicContact CB-CH2 3.62Å; E782-W833 HydrophobicContact CB-CZ2 3.92Å; E782-W833 HydrophobicContact CG-CH2 3.86Å; E782-W833 HydrophobicContact CG-CZ2 4.48Å; V785-W833 HydrophobicContact CG2-CE3 4.21Å; V785-W833 HydrophobicContact CG2-CZ3 4.24Å; S829-W833 WeakPolarHBondContact O-CB 3.4Å; S829-W833 PolarHBondContact O-N 3Å; V830-W833 HydrophobicContact CG1-CE3 4.28Å; V830-W833 WeakPolarHBondContact O-CB 3.31Å; V830-W833 PolarHBondContact O-N 3.07Å; T831-W833 VanDerWaalsContact C-N 3.34Å; W833-A835 VanDerWaalsContact C-N 3.34Å; W833-A835 PolarHBondContact O-N 2.82Å; W833-N836 PolarHBondContact O-N 3.18Å; W833-A837 WeakPolarHBondContact O-CB 3.25Å; W833-A837 PolarHBondContact O-N 2.87Å; W833-I898 HydrophobicContact CZ2-CG2 4.1Å; W833-T901 HydrophobicContact CH2-CG2 4.27Å; W833-A902 HydrophobicContact CD2-CB 3.67Å; W833-A902 HydrophobicContact CE3-CB 3.64Å; W833-A902 HydrophobicContact CG-CB 4.28Å; W833-A902 HydrophobicContact CH2-CB 4.05Å; W833-A902 HydrophobicContact CZ2-CB 4.08Å; W833-A902 HydrophobicContact CZ3-CB 3.84Å; W833-Y905 HydrophobicContact CH2-CD2 4.42Å; W833-Y905 HydrophobicContact CZ3-CD2 4.16Å |
| 834 | L | 95.7 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.8 Ų | 15.8 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -55.7 | -47 | 174 | 176.1 | 62.9 | 0 | 0 | 0 | 111.6 | V830 T831 S838 V899 A902 F903 L906 V1018 F1022 | V830-L834 PolarHBondContact O-N 2.96Å; T831-L834 PolarHBondContact O-N 3.43Å; L834-S838 VanDerWaalsContact O-CB 3.32Å; L834-S838 WeakPolarHBondContact O-CB 3.25Å; L834-S838 PolarHBondContact O-N 3.35Å; L834-S838 PolarHBondContact O-OG 3.27Å; L834-V899 HydrophobicContact CD1-CG1 4.03Å; L834-V899 WeakPolarHBondContact CD1-O 3.35Å; L834-A902 HydrophobicContact CB-CB 4.08Å; L834-A902 HydrophobicContact CD1-CB 4.24Å; L834-F903 HydrophobicContact CD1-CB 4.11Å; L834-F903 HydrophobicContact CD2-CB 4.46Å; L834-F903 HydrophobicContact CD2-CD2 4.1Å; L834-L906 HydrophobicContact CD2-CD2 3.69Å; L834-V1018 HydrophobicContact CD2-CG1 4.31Å; L834-F1022 HydrophobicContact CD1-CD2 4.48Å; L834-F1022 HydrophobicContact CD1-CE2 4.41Å; L834-F1022 HydrophobicContact CD2-CB 4.4Å; L834-F1022 HydrophobicContact CD2-CG 4.43Å |
| 835 | A | 94.8 | Very high | 91.1 | Very high | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.008 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L697 T831 W833 S838 Q839 A1016 V1018 | L697-A835 HydrophobicContact CD2-CB 3.9Å; T831-A835 WeakPolarHBondContact O-CB 3.41Å; T831-A835 PolarHBondContact O-N 3.11Å; W833-A835 VanDerWaalsContact C-N 3.34Å; W833-A835 PolarHBondContact O-N 2.82Å; A835-S838 PolarHBondContact O-OG 2.99Å; A835-Q839 WeakPolarHBondContact O-CB 3.03Å; A835-Q839 PolarHBondContact O-N 2.99Å; A835-A1016 HydrophobicContact CB-CB 4.28Å; A835-A1016 VanDerWaalsContact CB-O 3.3Å; A835-A1016 WeakPolarHBondContact CB-O 3.44Å; A835-V1018 HydrophobicContact CB-CG2 3.96Å |
| 836 | N | 94.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.5 | -41.6 | -180 | -81.1 | -81.8 | 0 | 0 | 0 | 113 | P696 P699 A700 A832 W833 L840 | P696-N836 PolarHBondContact O-ND2 3.02Å; P699-N836 WeakPolarHBondContact CB-OD1 3.41Å; P699-N836 VanDerWaalsContact CD-OD1 3.29Å; P699-N836 WeakPolarHBondContact CD-OD1 3.44Å; A700-N836 HydrophobicContact CB-CB 4.16Å; A700-N836 WeakPolarHBondContact CB-O 3.34Å; A700-N836 WeakPolarHBondContact CB-OD1 3.43Å; A700-N836 PolarHBondContact N-OD1 3.3Å; A832-N836 WeakPolarHBondContact O-CB 3.48Å; A832-N836 PolarHBondContact O-N 2.82Å; A832-N836 PolarHBondContact O-ND2 2.97Å; W833-N836 PolarHBondContact O-N 3.18Å; N836-L840 WeakPolarHBondContact O-CB 3.3Å; N836-L840 PolarHBondContact O-N 3.35Å |
| 837 | A | 94.9 | Very high | 89.5 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | F778 W833 L840 L841 I898 V899 | F778-A837 HydrophobicContact CZ-CB 4.36Å; W833-A837 WeakPolarHBondContact O-CB 3.25Å; W833-A837 PolarHBondContact O-N 2.87Å; A837-L840 PolarHBondContact O-N 2.9Å; A837-L841 WeakPolarHBondContact O-CB 3.3Å; A837-L841 PolarHBondContact O-N 3.32Å; A837-I898 HydrophobicContact CB-CG2 3.87Å; A837-V899 HydrophobicContact CB-CG2 3.66Å |
| 838 | S | 94.7 | Very high | 88.1 | Confident | 18 Ų | 18 | 22 Ų | 22 | 13% | 0.126 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -71.2 | -40.5 | 179.9 | 60.1 | 0 | 0 | 0 | 0 | 112.8 | L834 A835 L840 L841 H842 | L834-S838 VanDerWaalsContact O-CB 3.32Å; L834-S838 WeakPolarHBondContact O-CB 3.25Å; L834-S838 PolarHBondContact O-N 3.35Å; L834-S838 PolarHBondContact O-OG 3.27Å; A835-S838 PolarHBondContact O-OG 2.99Å; S838-L840 VanDerWaalsContact C-N 3.34Å; S838-L840 PolarHBondContact O-N 3.45Å; S838-L841 PolarHBondContact O-N 2.96Å; S838-H842 WeakPolarHBondContact O-CB 3.22Å; S838-H842 PolarHBondContact O-N 3.23Å |
| 839 | Q | 93.1 | Very high | 86.7 | Confident | 56 Ų | 56 | 23.5 Ų | 23.5 | 26% | 0.262 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -65.4 | -38 | 174.1 | -173.3 | 62.8 | 35.3 | 0 | 0 | 111.6 | L697 A700 A835 H842 L843 | L697-Q839 HydrophobicContact CD1-CG 4.24Å; L697-Q839 HydrophobicContact CD2-CB 3.87Å; L697-Q839 HydrophobicContact CD2-CG 4.15Å; A700-Q839 HydrophobicContact CB-CB 4.39Å; A835-Q839 WeakPolarHBondContact O-CB 3.03Å; A835-Q839 PolarHBondContact O-N 2.99Å; Q839-H842 PolarHBondContact O-N 3.5Å; Q839-L843 HydrophobicContact CG-CD1 3.96Å; Q839-L843 HydrophobicContact CG-CG 4.37Å; Q839-L843 WeakPolarHBondContact O-CB 3.39Å; Q839-L843 VanDerWaalsContact O-CG 3.22Å; Q839-L843 WeakPolarHBondContact O-CG 3.42Å; Q839-L843 PolarHBondContact O-N 3.37Å |
| 840 | L | 92.8 | Very high | 85.4 | Confident | 1 Ų | 1 | 23.7 Ų | 23.7 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.4 | -45 | 175.6 | -176.5 | 64.4 | 0 | 0 | 0 | 111 | A700 V703 V774 F778 N836 A837 S838 H842 L843 I844 L895 | A700-L840 HydrophobicContact CB-CB 4.03Å; V703-L840 HydrophobicContact CB-CD1 4.04Å; V703-L840 HydrophobicContact CB-CD2 4.49Å; V703-L840 HydrophobicContact CG1-CD1 3.82Å; V703-L840 HydrophobicContact CG1-CD2 4.05Å; V774-L840 HydrophobicContact CG1-CD2 3.77Å; F778-L840 HydrophobicContact CE2-CD2 4.02Å; F778-L840 HydrophobicContact CZ-CD2 4.37Å; N836-L840 WeakPolarHBondContact O-CB 3.3Å; N836-L840 PolarHBondContact O-N 3.35Å; A837-L840 PolarHBondContact O-N 2.9Å; S838-L840 VanDerWaalsContact C-N 3.34Å; S838-L840 PolarHBondContact O-N 3.45Å; L840-H842 PolarHBondContact O-N 2.72Å; L840-L843 PolarHBondContact O-N 3.16Å; L840-I844 HydrophobicContact CD1-CD1 3.68Å; L840-I844 HydrophobicContact CD1-CG1 4.13Å; L840-I844 HydrophobicContact CD2-CD1 4.35Å; L840-I844 HydrophobicContact CG-CD1 3.64Å; L840-I844 HydrophobicContact CG-CG1 4.41Å; L840-I844 VanDerWaalsContact O-CB 3.28Å; L840-I844 WeakPolarHBondContact O-CB 3.33Å; L840-I844 WeakPolarHBondContact O-CD1 3.48Å; L840-I844 WeakPolarHBondContact O-CG1 3.46Å; L840-I844 PolarHBondContact O-N 2.82Å; L840-L895 HydrophobicContact CG-CD2 4.45Å |
| 841 | L | 91.4 | Very high | 83.7 | Confident | 24 Ų | 24 | 28.5 Ų | 28.5 | 13% | 0.126 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.3 | -50.1 | 174.8 | -179 | 60.3 | 0 | 0 | 0 | 111.1 | A837 S838 I844 T845 K892 L895 A896 V899 | A837-L841 WeakPolarHBondContact O-CB 3.3Å; A837-L841 PolarHBondContact O-N 3.32Å; S838-L841 PolarHBondContact O-N 2.96Å; L841-I844 PolarHBondContact O-N 3.32Å; L841-T845 HydrophobicContact CD1-CG2 4.3Å; L841-T845 WeakPolarHBondContact O-CG2 3.47Å; L841-T845 PolarHBondContact O-N 3.22Å; L841-T845 PolarHBondContact O-OG1 2.96Å; L841-T845 VanDerWaalsContact O-OG1 3.11Å; L841-K892 HydrophobicContact CD1-CG 4.11Å; L841-L895 HydrophobicContact CB-CD2 3.95Å; L841-L895 HydrophobicContact CB-CG 4.17Å; L841-L895 HydrophobicContact CD1-CB 4.44Å; L841-L895 HydrophobicContact CD1-CD2 4.05Å; L841-L895 HydrophobicContact CD1-CG 4.25Å; L841-A896 HydrophobicContact CD2-CB 4.1Å; L841-V899 HydrophobicContact CD2-CG2 4.41Å |
| 842 | H | 88.9 | Confident | 82.2 | Confident | 78 Ų | 78 | 31.1 Ų | 31.1 | 36% | 0.361 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -59.6 | -49.3 | 177.6 | 178.7 | -71.5 | 0 | 0 | 0 | 112.8 | S838 Q839 L840 I844 T845 C846 | S838-H842 WeakPolarHBondContact O-CB 3.22Å; S838-H842 PolarHBondContact O-N 3.23Å; Q839-H842 PolarHBondContact O-N 3.5Å; L840-H842 PolarHBondContact O-N 2.72Å; H842-I844 VanDerWaalsContact C-N 3.25Å; H842-I844 PolarHBondContact O-N 3.2Å; H842-T845 PolarHBondContact O-N 3.12Å; H842-T845 PolarHBondContact O-OG1 2.67Å; H842-T845 VanDerWaalsContact O-OG1 3.12Å; H842-C846 PolarHBondContact CE1-SG 3.24Å; H842-C846 WeakPolarHBondContact O-CB 3.23Å; H842-C846 PolarHBondContact O-N 3.27Å; H842-C846 PolarHBondContact O-SG 2.81Å |
| 843 | L | 87.9 | Confident | 80.9 | Confident | 20 Ų | 20 | 31.7 Ų | 31.7 | 11% | 0.105 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61 | -36.2 | 178.8 | -73.9 | 168.4 | 0 | 0 | 0 | 112.2 | M701 Y704 Q839 L840 D847 | M701-L843 HydrophobicContact SD-CD1 3.65Å; Y704-L843 HydrophobicContact CD2-CB 3.68Å; Y704-L843 HydrophobicContact CD2-CD1 4.45Å; Y704-L843 HydrophobicContact CD2-CG 4.45Å; Y704-L843 HydrophobicContact CE2-CB 4.2Å; Y704-L843 HydrophobicContact CG-CB 4.16Å; Y704-L843 HydrophobicContact CG-CD1 4.1Å; Q839-L843 HydrophobicContact CG-CD1 3.96Å; Q839-L843 HydrophobicContact CG-CG 4.37Å; Q839-L843 WeakPolarHBondContact O-CB 3.39Å; Q839-L843 VanDerWaalsContact O-CG 3.22Å; Q839-L843 WeakPolarHBondContact O-CG 3.42Å; Q839-L843 PolarHBondContact O-N 3.37Å; L840-L843 PolarHBondContact O-N 3.16Å; L843-D847 PolarHBondContact O-N 3Å |
| 844 | I | 84.2 | Confident | 79.5 | Confident | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -74.3 | -35.7 | 178.7 | -71.3 | 174.9 | 0 | 0 | 0 | 111.5 | L707 L771 L840 L841 H842 F850 W888 L895 | L707-I844 HydrophobicContact CD1-CD1 3.72Å; L707-I844 HydrophobicContact CD1-CG1 3.85Å; L771-I844 HydrophobicContact CD2-CD1 3.62Å; L840-I844 HydrophobicContact CD1-CD1 3.68Å; L840-I844 HydrophobicContact CD1-CG1 4.13Å; L840-I844 HydrophobicContact CD2-CD1 4.35Å; L840-I844 HydrophobicContact CG-CD1 3.64Å; L840-I844 HydrophobicContact CG-CG1 4.41Å; L840-I844 VanDerWaalsContact O-CB 3.28Å; L840-I844 WeakPolarHBondContact O-CB 3.33Å; L840-I844 WeakPolarHBondContact O-CD1 3.48Å; L840-I844 WeakPolarHBondContact O-CG1 3.46Å; L840-I844 PolarHBondContact O-N 2.82Å; L841-I844 PolarHBondContact O-N 3.32Å; H842-I844 VanDerWaalsContact C-N 3.25Å; H842-I844 PolarHBondContact O-N 3.2Å; I844-F850 HydrophobicContact CB-CE2 4.44Å; I844-F850 HydrophobicContact CG2-CD2 4.15Å; I844-F850 HydrophobicContact CG2-CE2 3.5Å; I844-F850 VanDerWaalsContact CG2-CE2 3.5Å; I844-F850 HydrophobicContact CG2-CZ 4.25Å; I844-F850 WeakPolarHBondContact O-CE2 3.32Å; I844-W888 HydrophobicContact CG2-CH2 3.35Å; I844-W888 HydrophobicContact CG2-CZ2 4.15Å; I844-W888 HydrophobicContact CG2-CZ3 4.04Å; I844-L895 HydrophobicContact CD1-CD2 4.45Å |
| 845 | T | 81.5 | Confident | 77.7 | Confident | 31 Ų | 31 | 39.1 Ų | 39.1 | 19% | 0.19 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -78.7 | -28.6 | 177.8 | 52.1 | 0 | 0 | 0 | 0 | 114.1 | L841 H842 K892 Y1240 | L841-T845 HydrophobicContact CD1-CG2 4.3Å; L841-T845 WeakPolarHBondContact O-CG2 3.47Å; L841-T845 PolarHBondContact O-N 3.22Å; L841-T845 PolarHBondContact O-OG1 2.96Å; L841-T845 VanDerWaalsContact O-OG1 3.11Å; H842-T845 PolarHBondContact O-N 3.12Å; H842-T845 PolarHBondContact O-OG1 2.67Å; H842-T845 VanDerWaalsContact O-OG1 3.12Å; T845-K892 HydrophobicContact CG2-CD 4.43Å; T845-Y1240 HydrophobicContact CG2-CE1 4Å |
| 846 | C | 72.4 | Confident | 75.6 | Confident | 42 Ų | 42 | 40.1 Ų | 40.1 | 28% | 0.284 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -89.1 | -44.1 | -174.6 | -59.8 | 0 | 0 | 0 | 0 | 114.2 | H842 P1241 | H842-C846 PolarHBondContact CE1-SG 3.24Å; H842-C846 WeakPolarHBondContact O-CB 3.23Å; H842-C846 PolarHBondContact O-N 3.27Å; H842-C846 PolarHBondContact O-SG 2.81Å; C846-P1241 HydrophobicContact CB-CG 3.99Å; C846-P1241 WeakPolarHBondContact SG-CD 3.45Å; C846-P1241 WeakPolarHBondContact SG-CG 3.36Å |
| 847 | D | 66.3 | Low | 73.4 | Confident | 89 Ų | 89 | 43.7 Ų | 43.7 | 48% | 0.476 | 24% | 0.238 | S | C | . | . | S | Bend | trans | -92.6 | -10.5 | -166.8 | -90.4 | -14.8 | 0 | 0 | 0 | 114.9 | Y704 L843 | Y704-D847 HydrophobicContact CE2-CB 3.96Å; Y704-D847 WeakPolarHBondContact CE2-OD2 3.36Å; Y704-D847 PolarHBondContact OH-OD2 3.13Å; L843-D847 PolarHBondContact O-N 3Å |
| 848 | I | 61.5 | Low | 71 | Confident | 25 Ų | 25 | 47.9 Ų | 47.9 | 13% | 0.128 | 26% | 0.263 | C | S | . | . | trans | -135.8 | 111.3 | -172.2 | -52.8 | 174.2 | 0 | 0 | 0 | 109.1 | F850 | I848-F850 HydrophobicContact CB-CD2 3.81Å; I848-F850 HydrophobicContact CB-CE2 3.46Å; I848-F850 VanDerWaalsContact CB-CE2 3.46Å; I848-F850 HydrophobicContact CB-CG 4.48Å; I848-F850 HydrophobicContact CB-CZ 3.91Å; I848-F850 HydrophobicContact CD1-CE2 3.88Å; I848-F850 HydrophobicContact CD1-CZ 3.69Å; I848-F850 HydrophobicContact CG1-CE2 4.21Å; I848-F850 HydrophobicContact CG1-CZ 4.39Å; I848-F850 HydrophobicContact CG2-CD1 3.89Å; I848-F850 HydrophobicContact CG2-CD2 3.73Å; I848-F850 HydrophobicContact CG2-CE1 3.75Å; I848-F850 HydrophobicContact CG2-CE2 3.55Å; I848-F850 HydrophobicContact CG2-CG 3.92Å; I848-F850 HydrophobicContact CG2-CZ 3.58Å; I848-F850 VanDerWaalsContact O-CD2 3.3Å; I848-F850 WeakPolarHBondContact O-CD2 3.4Å; I848-F850 PolarHBondContact O-N 2.99Å | ||
| 849 | D | 61.8 | Low | 68.3 | Low | 99 Ų | 99 | 53.2 Ų | 53.2 | 53% | 0.529 | 29% | 0.29 | S | S | . | . | trans | -69.9 | 85.4 | 167.5 | -174.6 | -1.6 | 0 | 0 | 0 | 109.9 | N851 A852 T853 | D849-N851 WeakPolarHBondContact OD1-CA 3.43Å; D849-N851 VanDerWaalsContact OD1-CB 3.3Å; D849-N851 WeakPolarHBondContact OD1-CB 3.08Å; D849-N851 PolarHBondContact OD1-N 3.06Å; D849-A852 HydrophobicContact CB-CB 4.2Å; D849-A852 PolarHBondContact O-N 3.41Å; D849-A852 PolarHBondContact OD1-N 3.15Å; D849-A852 WeakPolarHBondContact OD2-CB 3.17Å; D849-T853 WeakPolarHBondContact O-CB 3.46Å; D849-T853 PolarHBondContact O-N 2.89Å; D849-T853 PolarHBondContact O-OG1 3.49Å | ||
| 850 | F | 62.5 | Low | 65.6 | Low | 5 Ų | 5 | 55.2 Ų | 55.2 | 2% | 0.022 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -69.8 | -22.7 | 172.4 | -74.8 | -70.4 | 0 | 0 | 0 | 112.1 | L767 I844 I848 T853 F854 W888 | L767-F850 HydrophobicContact CD1-CE1 4.23Å; I844-F850 HydrophobicContact CB-CE2 4.44Å; I844-F850 HydrophobicContact CG2-CD2 4.15Å; I844-F850 HydrophobicContact CG2-CE2 3.5Å; I844-F850 VanDerWaalsContact CG2-CE2 3.5Å; I844-F850 HydrophobicContact CG2-CZ 4.25Å; I844-F850 WeakPolarHBondContact O-CE2 3.32Å; I848-F850 HydrophobicContact CB-CD2 3.81Å; I848-F850 HydrophobicContact CB-CE2 3.46Å; I848-F850 VanDerWaalsContact CB-CE2 3.46Å; I848-F850 HydrophobicContact CB-CG 4.48Å; I848-F850 HydrophobicContact CB-CZ 3.91Å; I848-F850 HydrophobicContact CD1-CE2 3.88Å; I848-F850 HydrophobicContact CD1-CZ 3.69Å; I848-F850 HydrophobicContact CG1-CE2 4.21Å; I848-F850 HydrophobicContact CG1-CZ 4.39Å; I848-F850 HydrophobicContact CG2-CD1 3.89Å; I848-F850 HydrophobicContact CG2-CD2 3.73Å; I848-F850 HydrophobicContact CG2-CE1 3.75Å; I848-F850 HydrophobicContact CG2-CE2 3.55Å; I848-F850 HydrophobicContact CG2-CG 3.92Å; I848-F850 HydrophobicContact CG2-CZ 3.58Å; I848-F850 VanDerWaalsContact O-CD2 3.3Å; I848-F850 WeakPolarHBondContact O-CD2 3.4Å; I848-F850 PolarHBondContact O-N 2.99Å; F850-T853 PolarHBondContact O-N 2.84Å; F850-F854 HydrophobicContact CB-CD2 4.11Å; F850-F854 HydrophobicContact CB-CE2 4.46Å; F850-F854 AromaticContact CD1-CD2 3.99Å; F850-F854 HydrophobicContact CD1-CD2 3.99Å; F850-F854 AromaticContact CD1-CE2 3.6Å; F850-F854 HydrophobicContact CD1-CE2 3.6Å; F850-F854 HydrophobicContact CE1-CE2 4.28Å; F850-F854 HydrophobicContact CG-CE2 4.42Å; F850-F854 WeakPolarHBondContact O-CB 3.19Å; F850-F854 WeakPolarHBondContact O-CD2 3.3Å; F850-F854 PolarHBondContact O-N 3.33Å; F850-W888 HydrophobicContact CB-CD2 4.16Å; F850-W888 HydrophobicContact CB-CG 4.34Å; F850-W888 HydrophobicContact CB-CZ2 4.12Å; F850-W888 VanDerWaalsContact CB-NE1 3.33Å; F850-W888 HydrophobicContact CD2-CH2 4.18Å; F850-W888 AromaticContact CD2-CZ2 3.78Å; F850-W888 HydrophobicContact CD2-CZ2 3.78Å; F850-W888 HydrophobicContact CE2-CH2 4.42Å; F850-W888 HydrophobicContact CE2-CZ2 4.45Å; F850-W888 HydrophobicContact CG-CD2 4.28Å; F850-W888 AromaticContact CG-CE2 3.89Å; F850-W888 HydrophobicContact CG-CZ2 4.08Å |
| 851 | N | 59.3 | Low | 63.1 | Low | 101 Ų | 101 | 61.1 Ų | 61.1 | 54% | 0.54 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -66.9 | -43.5 | 173.7 | -68.8 | -35.8 | 0 | 0 | 0 | 110.3 | D849 K855 | D849-N851 WeakPolarHBondContact OD1-CA 3.43Å; D849-N851 VanDerWaalsContact OD1-CB 3.3Å; D849-N851 WeakPolarHBondContact OD1-CB 3.08Å; D849-N851 PolarHBondContact OD1-N 3.06Å; N851-K855 WeakPolarHBondContact O-CB 3.16Å; N851-K855 PolarHBondContact O-N 3.18Å |
| 852 | A | 61.7 | Low | 60.3 | Low | 55 Ų | 55 | 64.3 Ų | 64.3 | 46% | 0.455 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D849 F854 K855 | D849-A852 HydrophobicContact CB-CB 4.2Å; D849-A852 PolarHBondContact O-N 3.41Å; D849-A852 PolarHBondContact OD1-N 3.15Å; D849-A852 WeakPolarHBondContact OD2-CB 3.17Å; A852-F854 VanDerWaalsContact C-N 3.29Å; A852-F854 PolarHBondContact O-N 3.4Å; A852-K855 PolarHBondContact O-N 2.79Å |
| 853 | T | 64.6 | Low | 57.3 | Low | 18 Ų | 18 | 63.7 Ų | 63.7 | 11% | 0.11 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.2 | -28.5 | -176.7 | -53.5 | 0 | 0 | 0 | 0 | 113.5 | R763 Q764 L767 D849 F850 | R763-T853 HydrophobicContact CG-CG2 4.34Å; Q764-T853 PolarHBondContact NE2-O 3.04Å; L767-T853 HydrophobicContact CD1-CG2 4.42Å; D849-T853 WeakPolarHBondContact O-CB 3.46Å; D849-T853 PolarHBondContact O-N 2.89Å; D849-T853 PolarHBondContact O-OG1 3.49Å; F850-T853 PolarHBondContact O-N 2.84Å |
| 854 | F | 64.5 | Low | 54.4 | Low | 1 Ų | 1 | 69.6 Ų | 69.6 | 0% | 0.004 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 13.1 | 178.6 | -72.8 | -78.7 | 0 | 0 | 0 | 114.2 | Q764 F850 A852 T885 W888 | Q764-F854 HydrophobicContact CB-CD1 4.09Å; Q764-F854 HydrophobicContact CB-CE1 3.61Å; Q764-F854 HydrophobicContact CB-CZ 4.4Å; Q764-F854 HydrophobicContact CG-CD1 3.58Å; Q764-F854 HydrophobicContact CG-CE1 3.59Å; Q764-F854 HydrophobicContact CG-CG 4.41Å; Q764-F854 HydrophobicContact CG-CZ 4.42Å; F850-F854 HydrophobicContact CB-CD2 4.11Å; F850-F854 HydrophobicContact CB-CE2 4.46Å; F850-F854 AromaticContact CD1-CD2 3.99Å; F850-F854 HydrophobicContact CD1-CD2 3.99Å; F850-F854 AromaticContact CD1-CE2 3.6Å; F850-F854 HydrophobicContact CD1-CE2 3.6Å; F850-F854 HydrophobicContact CE1-CE2 4.28Å; F850-F854 HydrophobicContact CG-CE2 4.42Å; F850-F854 WeakPolarHBondContact O-CB 3.19Å; F850-F854 WeakPolarHBondContact O-CD2 3.3Å; F850-F854 PolarHBondContact O-N 3.33Å; A852-F854 VanDerWaalsContact C-N 3.29Å; A852-F854 PolarHBondContact O-N 3.4Å; F854-T885 HydrophobicContact CB-CG2 4.16Å; F854-T885 PolarHBondContact O-OG1 2.87Å; F854-W888 HydrophobicContact CD2-CB 3.75Å; F854-W888 AromaticContact CD2-CG 3.78Å; F854-W888 HydrophobicContact CD2-CG 3.78Å; F854-W888 HydrophobicContact CE2-CB 3.74Å; F854-W888 HydrophobicContact CE2-CD2 4.26Å; F854-W888 AromaticContact CE2-CG 3.83Å; F854-W888 HydrophobicContact CE2-CG 3.83Å; F854-W888 HydrophobicContact CG-CB 4.17Å; F854-W888 HydrophobicContact CZ-CB 4.14Å |
| 855 | K | 58.4 | Low | 51.7 | Low | 155 Ų | 155 | 72.5 Ų | 72.5 | 67% | 0.674 | 39% | 0.393 | S | S | * | . | trans | -109.3 | 120.1 | 175.9 | -179.2 | 176.4 | -177.3 | -178 | 0 | 110.3 | N851 A852 | N851-K855 WeakPolarHBondContact O-CB 3.16Å; N851-K855 PolarHBondContact O-N 3.18Å; A852-K855 PolarHBondContact O-N 2.79Å | ||
| 856 | F | 51.9 | Low | 49.6 | Very low | 23 Ų | 23 | 73.3 Ų | 73.3 | 10% | 0.101 | 40% | 0.398 | C | S | . | . | trans | -75.6 | 141.6 | 176.2 | -79.9 | -84.3 | 0 | 0 | 0 | 111.5 | L757 L760 K761 V858 N881 | L757-F856 HydrophobicContact CD1-CD1 3.57Å; L757-F856 HydrophobicContact CD1-CE1 3.5Å; L757-F856 HydrophobicContact CG-CE1 4.2Å; L760-F856 HydrophobicContact CD2-CD1 3.78Å; L760-F856 HydrophobicContact CD2-CE1 3.75Å; L760-F856 HydrophobicContact CD2-CG 4.34Å; L760-F856 HydrophobicContact CD2-CZ 4.28Å; K761-F856 HydrophobicContact CD-CZ 4.35Å; K761-F856 HydrophobicContact CG-CE1 4.13Å; K761-F856 HydrophobicContact CG-CZ 3.76Å; F856-V858 HydrophobicContact CB-CG2 4.41Å; F856-V858 PolarHBondContact O-N 2.89Å; F856-N881 HydrophobicContact CD2-CB 4.11Å; F856-N881 HydrophobicContact CE2-CB 4.41Å | ||
| 857 | P | 47.7 | Very low | 47.4 | Very low | 76 Ų | 76 | 78.6 Ų | 78.6 | 49% | 0.494 | 41% | 0.413 | S | S | . | . | trans | -73.8 | 91.7 | 167.1 | 30.8 | -32.7 | 0 | 0 | 0 | 109.3 | ||||
| 858 | V | 44.5 | Very low | 45.5 | Very low | 87 Ų | 87 | 77.4 Ų | 77.4 | 53% | 0.527 | 41% | 0.412 | S | S | . | . | trans | -78.7 | -29.1 | 175.6 | -179.3 | 0 | 0 | 0 | 0 | 110.9 | F856 | F856-V858 HydrophobicContact CB-CG2 4.41Å; F856-V858 PolarHBondContact O-N 2.89Å | ||
| 859 | D | 37.4 | Very low | 44 | Very low | 130 Ų | 130 | 84.6 Ų | 84.6 | 70% | 0.695 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -38.3 | -166.8 | -51.3 | -58.2 | 0 | 0 | 0 | 113.9 | L861 | D859-L861 VanDerWaalsContact C-N 3.29Å; D859-L861 PolarHBondContact O-N 2.91Å |
| 860 | E | 37.3 | Very low | 42.3 | Very low | 98 Ų | 98 | 86.6 Ų | 86.6 | 46% | 0.458 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -13.8 | -176.3 | -71.4 | -166 | 123.3 | 0 | 0 | 114.7 | S1771 | E860-S1771 PolarHBondContact O-OG 3.23Å; E860-S1771 VanDerWaalsContact O-OG 3.11Å |
| 861 | L | 40.2 | Very low | 40.7 | Very low | 125 Ų | 125 | 95 Ų | 95 | 65% | 0.654 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98 | -24.5 | 178.6 | -103.7 | 166.2 | 0 | 0 | 0 | 113.6 | D859 Q863 | D859-L861 VanDerWaalsContact C-N 3.29Å; D859-L861 PolarHBondContact O-N 2.91Å; L861-Q863 PolarHBondContact O-N 2.85Å |
| 862 | C | 31.3 | Very low | 39.4 | Very low | 91 Ų | 91 | 96.6 Ų | 96.6 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -80 | 32.3 | 173.7 | -78.2 | 0 | 0 | 0 | 0 | 112.3 | N1769 | C862-N1769 PolarHBondContact O-ND2 3.28Š|
| 863 | Q | 26.5 | Very low | 37.8 | Very low | 65 Ų | 65 | 101.2 Ų | 101.2 | 30% | 0.304 | 52% | 0.518 | S | S | . | . | trans | -130.1 | 45.4 | -167 | -111.6 | 174.7 | -14.2 | 0 | 0 | 114 | L861 N1769 E1770 | L861-Q863 PolarHBondContact O-N 2.85Å; Q863-N1769 HydrophobicContact CG-CB 4.22Å; Q863-N1769 CarbonylContact O-C 3.5Å; Q863-E1770 VanDerWaalsContact CD-C 3.44Å; Q863-E1770 PolarHBondContact NE2-O 2.82Å; Q863-E1770 WeakPolarHBondContact O-CA 3.31Å; Q863-E1770 WeakPolarHBondContact O-CB 3.42Å; Q863-E1770 WeakPolarHBondContact O-CG 3.37Å | ||
| 864 | W | 27.9 | Very low | 36.2 | Very low | 145 Ų | 145 | 106.5 Ų | 106.5 | 55% | 0.549 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -128.6 | 157.7 | 151.2 | -95 | -7.7 | 0 | 0 | 0 | 113.3 | N749 N1769 E1770 | N749-W864 HydrophobicContact CB-CH2 4.19Å; W864-N1769 PolarHBondContact O-ND2 3.47Å; W864-E1770 VanDerWaalsContact CD1-CD 3.49Å; W864-E1770 PolarHBondContact NE1-OE1 2.97Å; W864-E1770 PolarHBondContact NE1-OE2 3.19Å |
| 865 | S | 26 | Very low | 34.5 | Very low | 62 Ų | 62 | 113.7 Ų | 113.7 | 43% | 0.434 | 58% | 0.584 | S | S | . | * | trans | -70.3 | 142.4 | -171.9 | 150.6 | 0 | 0 | 0 | 0 | 115 | L1767 C1768 | S865-L1767 WeakPolarHBondContact CA-O 3.21Å; S865-L1767 WeakPolarHBondContact CB-O 3.18Å; S865-L1767 PolarHBondContact OG-O 3.02Å; S865-C1768 WeakPolarHBondContact CB-SG 3.49Å | ||
| 866 | P | 37.7 | Very low | 33.3 | Very low | 48 Ų | 48 | 110.3 Ų | 110.3 | 31% | 0.312 | 58% | 0.576 | S | S | . | * | trans | -97.5 | 164.2 | 168.2 | 37.6 | -29.3 | 0 | 0 | 0 | 113.1 | S1766 L1767 | P866-S1766 WeakPolarHBondContact O-CA 3.44Å; P866-S1766 PolarHBondContact O-OG 2.94Å; P866-L1767 VanDerWaalsContact CD-O 3.25Å; P866-L1767 WeakPolarHBondContact CD-O 3.43Å; P866-L1767 HydrophobicContact CG-CB 4.03Å; P866-L1767 HydrophobicContact CG-CD1 3.9Å; P866-L1767 HydrophobicContact CG-CG 4.41Å | ||
| 867 | Y | 27.4 | Very low | 32.8 | Very low | 153 Ų | 153 | 114.1 Ų | 114.1 | 60% | 0.6 | 60% | 0.601 | S | S | * | * | trans | -118.6 | 145.5 | 131 | -98.1 | -96.1 | 0 | 0 | 0 | 108.4 | S1766 | Y867-S1766 VanDerWaalsContact CE2-CB 3.48Å; Y867-S1766 WeakPolarHBondContact CE2-OG 3.33Å; Y867-S1766 VanDerWaalsContact CZ-CB 3.49Å | ||
| 868 | S | 25.5 | Very low | 32.3 | Very low | 64 Ų | 64 | 119 Ų | 119 | 45% | 0.448 | 62% | 0.615 | S | S | . | * | trans | -51.7 | 138.6 | 176.8 | 50.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 869 | F | 29.3 | Very low | 31.9 | Very low | 176 Ų | 176 | 117.8 Ų | 117.8 | 77% | 0.772 | 61% | 0.61 | S | S | * | * | -155.7 | 139.9 | 120.7 | -122.1 | -79.8 | 0 | 0 | 0 | 109.9 | |||||
| 870 | D | 27.1 | Very low | 32.1 | Very low | 141 Ų | 141 | 114.5 Ų | 114.5 | 75% | 0.754 | 60% | 0.598 | S | S | * | * | trans | -86.9 | 138.1 | -177.9 | -58 | -82.9 | 0 | 0 | 0 | 111.4 | ||||
| 871 | H | 29.7 | Very low | 32.4 | Very low | 180 Ų | 180 | 112.4 Ų | 112.4 | 83% | 0.833 | 59% | 0.589 | S | S | * | * | trans | -164.3 | 171.3 | 133.2 | -110.2 | -52.1 | 0 | 0 | 0 | 110.2 | ||||
| 872 | D | 30.3 | Very low | 32.9 | Very low | 136 Ų | 136 | 112 Ų | 112 | 73% | 0.727 | 59% | 0.587 | S | S | * | * | trans | -80.4 | -170.9 | -157 | -56.1 | -93.9 | 0 | 0 | 0 | 115 | ||||
| 873 | D | 28.8 | Very low | 34.1 | Very low | 151 Ų | 151 | 111 Ų | 111 | 81% | 0.807 | 58% | 0.578 | S | S | * | * | trans | 64 | 90.5 | 180 | -66.6 | -25.3 | 0 | 0 | 0 | 117.2 | ||||
| 874 | N | 30.4 | Very low | 35.6 | Very low | 130 Ų | 130 | 109.5 Ų | 109.5 | 70% | 0.695 | 57% | 0.573 | S | S | * | * | -176 | 85 | 118.8 | -102.8 | -74 | 0 | 0 | 0 | 113 | T876 | N874-T876 PolarHBondContact O-N 3.35Å; N874-T876 VanDerWaalsContact O-N 3.12Å; N874-T876 PolarHBondContact OD1-OG1 3.02Å | |||
| 875 | N | 30.2 | Very low | 37.4 | Very low | 152 Ų | 152 | 104.6 Ų | 104.6 | 81% | 0.813 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | 38.5 | 176 | -152.6 | 2.4 | 0 | 0 | 0 | 113.1 | ||
| 876 | T | 33.1 | Very low | 39.5 | Very low | 83 Ų | 83 | 105.2 Ų | 105.2 | 51% | 0.509 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -119.6 | -17.8 | -158.2 | 49.4 | 0 | 0 | 0 | 0 | 115.1 | N874 S879 | N874-T876 PolarHBondContact O-N 3.35Å; N874-T876 VanDerWaalsContact O-N 3.12Å; N874-T876 PolarHBondContact OD1-OG1 3.02Å; T876-S879 PolarHBondContact O-OG 3.49Å |
| 877 | V | 40.4 | Very low | 41.2 | Very low | 104 Ų | 104 | 104.7 Ų | 104.7 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -89.7 | -24.1 | -169.7 | -176.7 | 0 | 0 | 0 | 0 | 113.9 | S879 | V877-S879 VanDerWaalsContact C-N 3.29Å; V877-S879 PolarHBondContact O-N 3.27Å |
| 878 | K | 37.3 | Very low | 43.6 | Very low | 177 Ų | 177 | 98.1 Ų | 98.1 | 77% | 0.77 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -16.8 | -175.9 | -71.4 | 179.3 | 178.7 | 172.1 | 0 | 114.7 | ||
| 879 | S | 36.4 | Very low | 46.2 | Very low | 63 Ų | 63 | 98 Ų | 98 | 44% | 0.441 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.2 | -28.9 | -174.3 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | T876 V877 | T876-S879 PolarHBondContact O-OG 3.49Å; V877-S879 VanDerWaalsContact C-N 3.29Å; V877-S879 PolarHBondContact O-N 3.27Å |
| 880 | S | 40.8 | Very low | 48.8 | Very low | 61 Ų | 61 | 95 Ų | 95 | 43% | 0.427 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -84.5 | -11.9 | -171.2 | 67.3 | 0 | 0 | 0 | 0 | 115.5 | T883 | S880-T883 PolarHBondContact O-OG1 3.24Å |
| 881 | N | 44.5 | Very low | 51.5 | Low | 53 Ų | 53 | 89 Ų | 89 | 28% | 0.283 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -96.6 | -23 | -174.4 | -67.3 | -16 | 0 | 0 | 0 | 113.6 | F856 | F856-N881 HydrophobicContact CD2-CB 4.11Å; F856-N881 HydrophobicContact CE2-CB 4.41Å |
| 882 | I | 49.9 | Very low | 54 | Low | 117 Ų | 117 | 83 Ų | 83 | 60% | 0.6 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -75.1 | -33.2 | 178.1 | -65.1 | 173 | 0 | 0 | 0 | 111.1 | T884 T886 | I882-T884 PolarHBondContact O-N 3.29Å; I882-T886 HydrophobicContact CG2-CG2 4.19Å; I882-T886 PolarHBondContact O-N 3.5Å; I882-T886 PolarHBondContact O-OG1 3.22Å |
| 883 | T | 57.1 | Low | 56.7 | Low | 71 Ų | 71 | 82.2 Ų | 82.2 | 44% | 0.436 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.7 | -37.7 | -168.3 | 51.8 | 0 | 0 | 0 | 0 | 114 | S880 T886 S887 | S880-T883 PolarHBondContact O-OG1 3.24Å; T883-T886 WeakPolarHBondContact CA-OG1 3.46Å; T883-T886 PolarHBondContact O-N 3.05Å; T883-T886 PolarHBondContact O-OG1 3.29Å; T883-S887 WeakPolarHBondContact O-CB 3.34Å; T883-S887 PolarHBondContact O-N 2.91Å; T883-S887 PolarHBondContact O-OG 3.42Å; T883-S887 VanDerWaalsContact O-OG 3.04Å |
| 884 | T | 58.8 | Low | 59.7 | Low | 32 Ų | 32 | 77.9 Ų | 77.9 | 20% | 0.196 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -72.1 | -40.3 | -174.9 | 61.3 | 0 | 0 | 0 | 0 | 112.9 | I882 S887 W888 | I882-T884 PolarHBondContact O-N 3.29Å; T884-S887 PolarHBondContact O-N 3.06Å; T884-W888 PolarHBondContact O-N 2.93Å |
| 885 | T | 65.2 | Low | 62.6 | Low | 42 Ų | 42 | 72 Ų | 72 | 26% | 0.258 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -65.9 | -39.6 | 174 | -28.9 | 0 | 0 | 0 | 0 | 111.1 | F854 W888 N889 | F854-T885 HydrophobicContact CB-CG2 4.16Å; F854-T885 PolarHBondContact O-OG1 2.87Å; T885-W888 PolarHBondContact O-N 3.5Å; T885-N889 PolarHBondContact O-N 3.39Å; T885-N889 VanDerWaalsContact O-N 3.12Å |
| 886 | T | 70.8 | Confident | 65.5 | Low | 75 Ų | 75 | 66.2 Ų | 66.2 | 46% | 0.46 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 174 | 51.1 | 0 | 0 | 0 | 0 | 112.6 | I882 T883 W888 N889 Q890 | I882-T886 HydrophobicContact CG2-CG2 4.19Å; I882-T886 PolarHBondContact O-N 3.5Å; I882-T886 PolarHBondContact O-OG1 3.22Å; T883-T886 WeakPolarHBondContact CA-OG1 3.46Å; T883-T886 PolarHBondContact O-N 3.05Å; T883-T886 PolarHBondContact O-OG1 3.29Å; T886-W888 VanDerWaalsContact C-N 3.34Å; T886-W888 PolarHBondContact O-N 3.36Å; T886-N889 PolarHBondContact O-N 2.95Å; T886-Q890 WeakPolarHBondContact O-CB 3.33Å; T886-Q890 PolarHBondContact O-N 3.14Å |
| 887 | S | 72.8 | Confident | 68.3 | Low | 38 Ų | 38 | 66.6 Ų | 66.6 | 27% | 0.266 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 175.6 | -66.9 | 0 | 0 | 0 | 0 | 112.3 | T883 T884 L891 | T883-S887 WeakPolarHBondContact O-CB 3.34Å; T883-S887 PolarHBondContact O-N 2.91Å; T883-S887 PolarHBondContact O-OG 3.42Å; T883-S887 VanDerWaalsContact O-OG 3.04Å; T884-S887 PolarHBondContact O-N 3.06Å; S887-L891 WeakPolarHBondContact O-CG 3.32Å; S887-L891 PolarHBondContact O-N 3.04Å |
| 888 | W | 77.1 | Confident | 70.8 | Confident | 14 Ų | 14 | 61.7 Ų | 61.7 | 5% | 0.053 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.5 | -51.3 | 172.8 | 163.7 | -119 | 0 | 0 | 0 | 111.5 | L771 I844 F850 F854 T884 T885 T886 Q890 L891 K892 | L771-W888 HydrophobicContact CD1-CE3 4.12Å; L771-W888 HydrophobicContact CD1-CZ3 3.86Å; I844-W888 HydrophobicContact CG2-CH2 3.35Å; I844-W888 HydrophobicContact CG2-CZ2 4.15Å; I844-W888 HydrophobicContact CG2-CZ3 4.04Å; F850-W888 HydrophobicContact CB-CD2 4.16Å; F850-W888 HydrophobicContact CB-CG 4.34Å; F850-W888 HydrophobicContact CB-CZ2 4.12Å; F850-W888 VanDerWaalsContact CB-NE1 3.33Å; F850-W888 HydrophobicContact CD2-CH2 4.18Å; F850-W888 AromaticContact CD2-CZ2 3.78Å; F850-W888 HydrophobicContact CD2-CZ2 3.78Å; F850-W888 HydrophobicContact CE2-CH2 4.42Å; F850-W888 HydrophobicContact CE2-CZ2 4.45Å; F850-W888 HydrophobicContact CG-CD2 4.28Å; F850-W888 AromaticContact CG-CE2 3.89Å; F850-W888 HydrophobicContact CG-CZ2 4.08Å; F854-W888 HydrophobicContact CD2-CB 3.75Å; F854-W888 AromaticContact CD2-CG 3.78Å; F854-W888 HydrophobicContact CD2-CG 3.78Å; F854-W888 HydrophobicContact CE2-CB 3.74Å; F854-W888 HydrophobicContact CE2-CD2 4.26Å; F854-W888 AromaticContact CE2-CG 3.83Å; F854-W888 HydrophobicContact CE2-CG 3.83Å; F854-W888 HydrophobicContact CG-CB 4.17Å; F854-W888 HydrophobicContact CZ-CB 4.14Å; T884-W888 PolarHBondContact O-N 2.93Å; T885-W888 PolarHBondContact O-N 3.5Å; T886-W888 VanDerWaalsContact C-N 3.34Å; T886-W888 PolarHBondContact O-N 3.36Å; W888-Q890 VanDerWaalsContact C-N 3.28Å; W888-Q890 PolarHBondContact O-N 3.29Å; W888-L891 PolarHBondContact O-N 3.48Å; W888-L891 VanDerWaalsContact O-N 3.12Å; W888-K892 HydrophobicContact CH2-CB 3.9Å; W888-K892 HydrophobicContact CH2-CG 4.28Å; W888-K892 HydrophobicContact CZ2-CB 4Å; W888-K892 HydrophobicContact CZ2-CD 4.17Å; W888-K892 HydrophobicContact CZ2-CG 4.24Å; W888-K892 HydrophobicContact CZ3-CB 4.34Å; W888-K892 PolarHBondContact O-N 2.91Å |
| 889 | N | 80.3 | Confident | 73.6 | Confident | 62 Ų | 62 | 53.5 Ų | 53.5 | 33% | 0.332 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 178 | -70.8 | -7.7 | 0 | 0 | 0 | 111.7 | T885 T886 L891 K892 E893 | T885-N889 PolarHBondContact O-N 3.39Å; T885-N889 VanDerWaalsContact O-N 3.12Å; T886-N889 PolarHBondContact O-N 2.95Å; N889-L891 PolarHBondContact O-N 3Å; N889-K892 WeakPolarHBondContact O-CB 3.49Å; N889-K892 PolarHBondContact O-N 3.25Å; N889-E893 WeakPolarHBondContact O-CG 3.42Å; N889-E893 PolarHBondContact O-N 3.44Å |
| 890 | Q | 84 | Confident | 76.3 | Confident | 112 Ų | 112 | 54.7 Ų | 54.7 | 52% | 0.523 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.3 | -171.7 | 178.9 | 11 | 0 | 0 | 112.5 | T886 W888 K892 E893 Q894 | T886-Q890 WeakPolarHBondContact O-CB 3.33Å; T886-Q890 PolarHBondContact O-N 3.14Å; W888-Q890 VanDerWaalsContact C-N 3.28Å; W888-Q890 PolarHBondContact O-N 3.29Å; Q890-K892 VanDerWaalsContact C-N 3.32Å; Q890-K892 PolarHBondContact O-N 2.93Å; Q890-E893 PolarHBondContact O-N 2.82Å; Q890-Q894 HydrophobicContact CG-CG 4.44Å; Q890-Q894 WeakPolarHBondContact O-CB 3.34Å; Q890-Q894 WeakPolarHBondContact O-CG 3.44Å; Q890-Q894 PolarHBondContact O-N 3.33Å |
| 891 | L | 83.5 | Confident | 78.8 | Confident | 15 Ų | 15 | 53.8 Ų | 53.8 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -32.8 | 175.2 | -67.5 | -164.5 | 0 | 0 | 0 | 112.5 | L768 L771 M772 I775 S887 W888 N889 L895 | L768-L891 HydrophobicContact CD1-CD1 3.57Å; L768-L891 HydrophobicContact CD1-CG 4.16Å; L768-L891 HydrophobicContact CG-CD1 4.02Å; L771-L891 HydrophobicContact CB-CD1 3.67Å; M772-L891 HydrophobicContact CB-CD1 4.4Å; M772-L891 HydrophobicContact SD-CD2 3.61Å; I775-L891 HydrophobicContact CD1-CB 3.78Å; I775-L891 HydrophobicContact CD1-CD1 4.4Å; I775-L891 HydrophobicContact CD1-CD2 3.94Å; I775-L891 HydrophobicContact CD1-CG 4.24Å; I775-L891 WeakPolarHBondContact CD1-O 3.44Å; S887-L891 WeakPolarHBondContact O-CG 3.32Å; S887-L891 PolarHBondContact O-N 3.04Å; W888-L891 PolarHBondContact O-N 3.48Å; W888-L891 VanDerWaalsContact O-N 3.12Å; N889-L891 PolarHBondContact O-N 3Å; L891-L895 WeakPolarHBondContact O-CB 3.39Å; L891-L895 PolarHBondContact O-N 3.48Å |
| 892 | K | 83.4 | Confident | 81.2 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 24% | 0.243 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 173.8 | -175.5 | -168.7 | 169 | -167.9 | 0 | 111.4 | L841 T845 W888 N889 Q890 L895 A896 Y1240 | L841-K892 HydrophobicContact CD1-CG 4.11Å; T845-K892 HydrophobicContact CG2-CD 4.43Å; W888-K892 HydrophobicContact CH2-CB 3.9Å; W888-K892 HydrophobicContact CH2-CG 4.28Å; W888-K892 HydrophobicContact CZ2-CB 4Å; W888-K892 HydrophobicContact CZ2-CD 4.17Å; W888-K892 HydrophobicContact CZ2-CG 4.24Å; W888-K892 HydrophobicContact CZ3-CB 4.34Å; W888-K892 PolarHBondContact O-N 2.91Å; N889-K892 WeakPolarHBondContact O-CB 3.49Å; N889-K892 PolarHBondContact O-N 3.25Å; Q890-K892 VanDerWaalsContact C-N 3.32Å; Q890-K892 PolarHBondContact O-N 2.93Å; K892-L895 PolarHBondContact O-N 3.2Å; K892-A896 PolarHBondContact O-N 2.89Å; K892-Y1240 WeakPolarHBondContact CE-OH 3.42Å; K892-Y1240 PolarHBondContact NZ-OH 2.85Å |
| 893 | E | 87 | Confident | 83.3 | Confident | 118 Ų | 118 | 45.9 Ų | 45.9 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -62.1 | -48.9 | 175.3 | -73.3 | 163.9 | 179.1 | 0 | 0 | 110.8 | N889 Q890 L895 A896 E897 | N889-E893 WeakPolarHBondContact O-CG 3.42Å; N889-E893 PolarHBondContact O-N 3.44Å; Q890-E893 PolarHBondContact O-N 2.82Å; E893-L895 VanDerWaalsContact C-N 3.32Å; E893-L895 PolarHBondContact O-N 2.89Å; E893-A896 CarbonylContact O-C 3.56Å; E893-A896 WeakPolarHBondContact O-CA 3.46Å; E893-A896 WeakPolarHBondContact O-CB 3.4Å; E893-A896 PolarHBondContact O-N 3.23Å; E893-E897 PolarHBondContact O-N 3.11Å |
| 894 | Q | 91.3 | Very high | 85 | Confident | 61 Ų | 61 | 45.2 Ų | 45.2 | 29% | 0.285 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -61.7 | -35 | 176.8 | -64.8 | -83.4 | -91.7 | 0 | 0 | 112.9 | I775 Q890 E897 I898 | I775-Q894 HydrophobicContact CG2-CB 4.4Å; Q890-Q894 HydrophobicContact CG-CG 4.44Å; Q890-Q894 WeakPolarHBondContact O-CB 3.34Å; Q890-Q894 WeakPolarHBondContact O-CG 3.44Å; Q890-Q894 PolarHBondContact O-N 3.33Å; Q894-E897 PolarHBondContact NE2-OE1 3.13Å; Q894-E897 PolarHBondContact NE2-OE2 2.84Å; Q894-E897 PolarHBondContact O-N 3.16Å; Q894-I898 WeakPolarHBondContact O-CD1 3.42Å; Q894-I898 WeakPolarHBondContact O-CG1 3.45Å; Q894-I898 PolarHBondContact O-N 2.98Å |
| 895 | L | 91.8 | Very high | 86.6 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -71.1 | -30.4 | 173.4 | -175.1 | 60.4 | 0 | 0 | 0 | 112.4 | I775 F778 L840 L841 I844 L891 K892 E893 I898 V899 | I775-L895 HydrophobicContact CD1-CB 4.41Å; I775-L895 HydrophobicContact CG1-CB 4.49Å; F778-L895 HydrophobicContact CD2-CD1 4.12Å; F778-L895 HydrophobicContact CE2-CD1 4.02Å; L840-L895 HydrophobicContact CG-CD2 4.45Å; L841-L895 HydrophobicContact CB-CD2 3.95Å; L841-L895 HydrophobicContact CB-CG 4.17Å; L841-L895 HydrophobicContact CD1-CB 4.44Å; L841-L895 HydrophobicContact CD1-CD2 4.05Å; L841-L895 HydrophobicContact CD1-CG 4.25Å; I844-L895 HydrophobicContact CD1-CD2 4.45Å; L891-L895 WeakPolarHBondContact O-CB 3.39Å; L891-L895 PolarHBondContact O-N 3.48Å; K892-L895 PolarHBondContact O-N 3.2Å; E893-L895 VanDerWaalsContact C-N 3.32Å; E893-L895 PolarHBondContact O-N 2.89Å; L895-I898 HydrophobicContact CD1-CD1 4.5Å; L895-V899 WeakPolarHBondContact O-CG2 3.32Å; L895-V899 PolarHBondContact O-N 3.41Å |
| 896 | A | 90.2 | Very high | 88 | Confident | 31 Ų | 31 | 44 Ų | 44 | 26% | 0.256 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.5 | -38.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112 | L841 K892 E893 V899 Q900 | L841-A896 HydrophobicContact CD2-CB 4.1Å; K892-A896 PolarHBondContact O-N 2.89Å; E893-A896 CarbonylContact O-C 3.56Å; E893-A896 WeakPolarHBondContact O-CA 3.46Å; E893-A896 WeakPolarHBondContact O-CB 3.4Å; E893-A896 PolarHBondContact O-N 3.23Å; A896-V899 WeakPolarHBondContact O-CB 3.48Å; A896-V899 PolarHBondContact O-N 3.42Å; A896-Q900 PolarHBondContact O-N 3.06Å |
| 897 | E | 91.8 | Very high | 89.1 | Confident | 91 Ų | 91 | 40.8 Ų | 40.8 | 43% | 0.425 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.8 | -47.1 | 170 | -71.1 | 167.8 | -122.8 | 0 | 0 | 110.8 | E893 Q894 V899 Q900 T901 | E893-E897 PolarHBondContact O-N 3.11Å; Q894-E897 PolarHBondContact NE2-OE1 3.13Å; Q894-E897 PolarHBondContact NE2-OE2 2.84Å; Q894-E897 PolarHBondContact O-N 3.16Å; E897-V899 VanDerWaalsContact C-N 3.29Å; E897-V899 PolarHBondContact O-N 3.02Å; E897-Q900 WeakPolarHBondContact O-CB 3.36Å; E897-Q900 PolarHBondContact O-N 3.11Å; E897-Q900 VanDerWaalsContact O-N 3.1Å; E897-T901 PolarHBondContact O-N 3.43Å; E897-T901 PolarHBondContact O-OG1 3.18Å |
| 898 | I | 93.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.3 | -42.5 | 173.8 | -75.7 | 159.7 | 0 | 0 | 0 | 112 | I775 F778 W833 A837 Q894 L895 A902 | I775-I898 HydrophobicContact CB-CD1 4.33Å; I775-I898 HydrophobicContact CG1-CD1 4.35Å; I775-I898 HydrophobicContact CG2-CD1 3.87Å; F778-I898 HydrophobicContact CB-CD1 3.77Å; F778-I898 HydrophobicContact CB-CG1 4.22Å; F778-I898 HydrophobicContact CB-CG2 3.75Å; F778-I898 HydrophobicContact CD2-CD1 4.3Å; F778-I898 HydrophobicContact CD2-CG2 4.27Å; F778-I898 HydrophobicContact CG-CG2 4.04Å; W833-I898 HydrophobicContact CZ2-CG2 4.1Å; A837-I898 HydrophobicContact CB-CG2 3.87Å; Q894-I898 WeakPolarHBondContact O-CD1 3.42Å; Q894-I898 WeakPolarHBondContact O-CG1 3.45Å; Q894-I898 PolarHBondContact O-N 2.98Å; L895-I898 HydrophobicContact CD1-CD1 4.5Å; I898-A902 VanDerWaalsContact O-CB 3.24Å; I898-A902 WeakPolarHBondContact O-CB 3.24Å; I898-A902 PolarHBondContact O-N 2.88Å |
| 899 | V | 95.6 | Very high | 90.5 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -65.6 | -41.3 | 177.2 | 169 | 0 | 0 | 0 | 0 | 111.3 | L834 A837 L841 L895 A896 E897 F903 F1022 | L834-V899 HydrophobicContact CD1-CG1 4.03Å; L834-V899 WeakPolarHBondContact CD1-O 3.35Å; A837-V899 HydrophobicContact CB-CG2 3.66Å; L841-V899 HydrophobicContact CD2-CG2 4.41Å; L895-V899 WeakPolarHBondContact O-CG2 3.32Å; L895-V899 PolarHBondContact O-N 3.41Å; A896-V899 WeakPolarHBondContact O-CB 3.48Å; A896-V899 PolarHBondContact O-N 3.42Å; E897-V899 VanDerWaalsContact C-N 3.29Å; E897-V899 PolarHBondContact O-N 3.02Å; V899-F903 PolarHBondContact O-N 3.49Å; V899-F903 VanDerWaalsContact O-N 3.07Å; V899-F1022 HydrophobicContact CG1-CE1 4.31Å; V899-F1022 HydrophobicContact CG1-CE2 4.38Å; V899-F1022 HydrophobicContact CG1-CZ 3.66Å |
| 900 | Q | 93 | Very high | 91.1 | Very high | 88 Ų | 88 | 39.9 Ų | 39.9 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.8 | -48.2 | 176.8 | -171.3 | 175.9 | 0.6 | 0 | 0 | 111.4 | A896 E897 A902 F903 V904 F1233 | A896-Q900 PolarHBondContact O-N 3.06Å; E897-Q900 WeakPolarHBondContact O-CB 3.36Å; E897-Q900 PolarHBondContact O-N 3.11Å; E897-Q900 VanDerWaalsContact O-N 3.1Å; Q900-A902 PolarHBondContact O-N 3.41Å; Q900-F903 WeakPolarHBondContact O-CB 3.49Å; Q900-F903 PolarHBondContact O-N 2.86Å; Q900-F903 VanDerWaalsContact O-N 3.13Å; Q900-V904 WeakPolarHBondContact O-CG2 3.36Å; Q900-V904 PolarHBondContact O-N 2.79Å; Q900-F1233 HydrophobicContact CG-CD1 4.02Å; Q900-F1233 HydrophobicContact CG-CE1 3.69Å; Q900-F1233 HydrophobicContact CG-CE2 4.33Å; Q900-F1233 HydrophobicContact CG-CG 4.47Å; Q900-F1233 HydrophobicContact CG-CZ 3.86Å; Q900-F1233 VanDerWaalsContact NE2-CD2 3.32Å; Q900-F1233 VanDerWaalsContact NE2-CE2 3.33Å |
| 901 | T | 92.2 | Very high | 91.4 | Very high | 42 Ų | 42 | 35.5 Ų | 35.5 | 26% | 0.258 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.5 | -60.7 | 0 | 0 | 0 | 0 | 112 | E782 W833 E897 F903 V904 Y905 | E782-T901 HydrophobicContact CG-CG2 4.17Å; W833-T901 HydrophobicContact CH2-CG2 4.27Å; E897-T901 PolarHBondContact O-N 3.43Å; E897-T901 PolarHBondContact O-OG1 3.18Å; T901-F903 VanDerWaalsContact C-N 3.27Å; T901-F903 PolarHBondContact O-N 2.61Å; T901-V904 PolarHBondContact O-N 2.68Å; T901-Y905 HydrophobicContact CG2-CD2 3.7Å; T901-Y905 HydrophobicContact CG2-CE2 3.53Å; T901-Y905 WeakPolarHBondContact O-CD2 3.39Å; T901-Y905 PolarHBondContact O-N 2.89Å |
| 902 | A | 94.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.1 | -32.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V830 W833 L834 I898 Q900 L906 | V830-A902 WeakPolarHBondContact CG1-O 3.43Å; W833-A902 HydrophobicContact CD2-CB 3.67Å; W833-A902 HydrophobicContact CE3-CB 3.64Å; W833-A902 HydrophobicContact CG-CB 4.28Å; W833-A902 HydrophobicContact CH2-CB 4.05Å; W833-A902 HydrophobicContact CZ2-CB 4.08Å; W833-A902 HydrophobicContact CZ3-CB 3.84Å; L834-A902 HydrophobicContact CB-CB 4.08Å; L834-A902 HydrophobicContact CD1-CB 4.24Å; I898-A902 VanDerWaalsContact O-CB 3.24Å; I898-A902 WeakPolarHBondContact O-CB 3.24Å; I898-A902 PolarHBondContact O-N 2.88Å; Q900-A902 PolarHBondContact O-N 3.41Å; A902-L906 WeakPolarHBondContact O-CB 3.43Å; A902-L906 PolarHBondContact O-N 2.81Å |
| 903 | F | 95.7 | Very high | 91.9 | Very high | 5 Ų | 5 | 33.9 Ų | 33.9 | 2% | 0.022 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.8 | -42.7 | 173 | -178.1 | -87.1 | 0 | 0 | 0 | 112.2 | L834 V899 Q900 T901 L906 A907 F1022 Q1025 L1026 F1233 | L834-F903 HydrophobicContact CD1-CB 4.11Å; L834-F903 HydrophobicContact CD2-CB 4.46Å; L834-F903 HydrophobicContact CD2-CD2 4.1Å; V899-F903 PolarHBondContact O-N 3.49Å; V899-F903 VanDerWaalsContact O-N 3.07Å; Q900-F903 WeakPolarHBondContact O-CB 3.49Å; Q900-F903 PolarHBondContact O-N 2.86Å; Q900-F903 VanDerWaalsContact O-N 3.13Å; T901-F903 VanDerWaalsContact C-N 3.27Å; T901-F903 PolarHBondContact O-N 2.61Å; F903-L906 WeakPolarHBondContact O-CB 3.5Å; F903-L906 PolarHBondContact O-N 2.74Å; F903-A907 HydrophobicContact CE1-CB 4.34Å; F903-A907 WeakPolarHBondContact O-CB 3.34Å; F903-A907 PolarHBondContact O-N 2.85Å; F903-F1022 HydrophobicContact CD2-CB 4.11Å; F903-F1022 AromaticContact CD2-CD1 3.69Å; F903-F1022 HydrophobicContact CD2-CD1 3.69Å; F903-F1022 HydrophobicContact CD2-CG 4.22Å; F903-F1022 HydrophobicContact CE2-CB 4.08Å; F903-F1022 HydrophobicContact CE2-CD1 4.11Å; F903-F1022 HydrophobicContact CG-CD1 4.47Å; F903-Q1025 HydrophobicContact CE2-CB 4.02Å; F903-Q1025 HydrophobicContact CZ-CB 3.69Å; F903-L1026 HydrophobicContact CE2-CB 4.15Å; F903-L1026 HydrophobicContact CZ-CB 4.29Å; F903-F1233 AromaticContact CD1-CE1 3.78Å; F903-F1233 HydrophobicContact CD1-CE1 3.78Å; F903-F1233 HydrophobicContact CD1-CZ 4.39Å; F903-F1233 HydrophobicContact CE1-CE1 4.34Å |
| 904 | V | 92.3 | Very high | 92 | Very high | 57 Ų | 57 | 28.2 Ų | 28.2 | 35% | 0.345 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -58.8 | -54.5 | 177.1 | 171.3 | 0 | 0 | 0 | 0 | 110.6 | Q900 T901 L906 A907 D908 F1233 | Q900-V904 WeakPolarHBondContact O-CG2 3.36Å; Q900-V904 PolarHBondContact O-N 2.79Å; T901-V904 PolarHBondContact O-N 2.68Å; V904-L906 PolarHBondContact O-N 3.17Å; V904-L906 VanDerWaalsContact O-N 3.13Å; V904-A907 WeakPolarHBondContact O-CB 3.47Å; V904-A907 PolarHBondContact O-N 2.7Å; V904-D908 WeakPolarHBondContact CG1-OD2 3.47Å; V904-D908 VanDerWaalsContact O-CG 3.29Å; V904-D908 PolarHBondContact O-N 2.76Å; V904-F1233 HydrophobicContact CG2-CZ 3.83Å |
| 905 | Y | 92.8 | Very high | 91.8 | Very high | 47 Ų | 47 | 26.4 Ų | 26.4 | 18% | 0.184 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.2 | -32.6 | 176.4 | -80.2 | -65.1 | 0 | 0 | 0 | 113.3 | E782 V785 I789 W833 T901 L909 | E782-Y905 HydrophobicContact CG-CE2 4.05Å; V785-Y905 HydrophobicContact CG1-CD1 4.19Å; V785-Y905 HydrophobicContact CG1-CG 4.16Å; I789-Y905 HydrophobicContact CD1-CD1 3.58Å; I789-Y905 HydrophobicContact CD1-CE1 3.9Å; W833-Y905 HydrophobicContact CH2-CD2 4.42Å; W833-Y905 HydrophobicContact CZ3-CD2 4.16Å; T901-Y905 HydrophobicContact CG2-CD2 3.7Å; T901-Y905 HydrophobicContact CG2-CE2 3.53Å; T901-Y905 WeakPolarHBondContact O-CD2 3.39Å; T901-Y905 PolarHBondContact O-N 2.89Å; Y905-L909 VanDerWaalsContact O-CB 3.32Å; Y905-L909 WeakPolarHBondContact O-CB 3.3Å; Y905-L909 WeakPolarHBondContact O-CD1 3.34Å; Y905-L909 VanDerWaalsContact O-CG 3.26Å; Y905-L909 WeakPolarHBondContact O-CG 3.38Å; Y905-L909 PolarHBondContact O-N 3.19Å; Y905-L909 VanDerWaalsContact O-N 3.14Å |
| 906 | L | 94.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -72.2 | -40.7 | 175.8 | -173.8 | 60.3 | 0 | 0 | 0 | 112.1 | I827 V830 T831 L834 A902 F903 V904 C910 L1013 L1026 | I827-L906 HydrophobicContact CG2-CD1 4.05Å; V830-L906 HydrophobicContact CB-CD1 4.43Å; V830-L906 HydrophobicContact CG1-CB 3.87Å; V830-L906 HydrophobicContact CG1-CD1 4.38Å; T831-L906 WeakPolarHBondContact OG1-CD1 3.32Å; L834-L906 HydrophobicContact CD2-CD2 3.69Å; A902-L906 WeakPolarHBondContact O-CB 3.43Å; A902-L906 PolarHBondContact O-N 2.81Å; F903-L906 WeakPolarHBondContact O-CB 3.5Å; F903-L906 PolarHBondContact O-N 2.74Å; V904-L906 PolarHBondContact O-N 3.17Å; V904-L906 VanDerWaalsContact O-N 3.13Å; L906-C910 WeakPolarHBondContact O-CB 3.24Å; L906-C910 PolarHBondContact O-N 2.84Å; L906-C910 PolarHBondContact O-SG 2.87Å; L906-L1013 HydrophobicContact CD2-CD2 4.01Å; L906-L1026 HydrophobicContact CD2-CD2 4.04Å; L906-L1026 HydrophobicContact CG-CD2 4.02Å |
| 907 | A | 93.2 | Very high | 91 | Very high | 7 Ų | 7 | 29.3 Ų | 29.3 | 6% | 0.058 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.4 | -50.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F903 V904 L909 C910 V911 L1026 | F903-A907 HydrophobicContact CE1-CB 4.34Å; F903-A907 WeakPolarHBondContact O-CB 3.34Å; F903-A907 PolarHBondContact O-N 2.85Å; V904-A907 WeakPolarHBondContact O-CB 3.47Å; V904-A907 PolarHBondContact O-N 2.7Å; A907-L909 PolarHBondContact O-N 2.74Å; A907-C910 PolarHBondContact O-N 2.64Å; A907-C910 VanDerWaalsContact O-N 3.15Å; A907-V911 WeakPolarHBondContact O-CB 3.29Å; A907-V911 WeakPolarHBondContact O-CG2 3.38Å; A907-V911 PolarHBondContact O-N 3.46Å; A907-L1026 HydrophobicContact CB-CD1 4.03Å |
| 908 | D | 89.9 | Confident | 90.7 | Very high | 91 Ų | 91 | 25 Ų | 25 | 49% | 0.487 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 180 | -61.5 | -24.8 | 0 | 0 | 0 | 111.4 | V904 C910 V911 L912 | V904-D908 WeakPolarHBondContact CG1-OD2 3.47Å; V904-D908 VanDerWaalsContact O-CG 3.29Å; V904-D908 PolarHBondContact O-N 2.76Å; D908-C910 PolarHBondContact O-N 3Å; D908-V911 PolarHBondContact O-N 2.6Å; D908-L912 WeakPolarHBondContact O-CB 3.19Å; D908-L912 PolarHBondContact O-N 3.38Å |
| 909 | L | 90.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 25.2 Ų | 25.2 | 2% | 0.016 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 174.5 | -80.5 | 169.8 | 0 | 0 | 0 | 112.7 | I789 F823 L826 I827 V830 Y905 A907 R913 | I789-L909 HydrophobicContact CD1-CD2 4.49Å; I789-L909 HydrophobicContact CD1-CG 4.45Å; I789-L909 HydrophobicContact CG1-CD2 4.15Å; F823-L909 HydrophobicContact CE1-CB 4.27Å; F823-L909 HydrophobicContact CE1-CD2 3.98Å; F823-L909 VanDerWaalsContact CE1-O 3.23Å; F823-L909 WeakPolarHBondContact CE1-O 3.21Å; F823-L909 HydrophobicContact CE2-CD2 4.13Å; F823-L909 HydrophobicContact CZ-CB 4.35Å; F823-L909 HydrophobicContact CZ-CD2 3.57Å; F823-L909 VanDerWaalsContact CZ-O 3.25Å; F823-L909 WeakPolarHBondContact CZ-O 3.39Å; L826-L909 HydrophobicContact CD2-CD1 4.02Å; L826-L909 HydrophobicContact CD2-CD2 3.84Å; L826-L909 HydrophobicContact CG-CD1 3.89Å; L826-L909 HydrophobicContact CG-CD2 4.47Å; I827-L909 HydrophobicContact CG1-CB 4.39Å; V830-L909 HydrophobicContact CG2-CD1 3.88Å; Y905-L909 VanDerWaalsContact O-CB 3.32Å; Y905-L909 WeakPolarHBondContact O-CB 3.3Å; Y905-L909 WeakPolarHBondContact O-CD1 3.34Å; Y905-L909 VanDerWaalsContact O-CG 3.26Å; Y905-L909 WeakPolarHBondContact O-CG 3.38Å; Y905-L909 PolarHBondContact O-N 3.19Å; Y905-L909 VanDerWaalsContact O-N 3.14Å; A907-L909 PolarHBondContact O-N 2.74Å; L909-R913 PolarHBondContact O-N 2.91Å; L909-R913 VanDerWaalsContact O-N 3.11Å |
| 910 | C | 92.4 | Very high | 90 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -71.1 | -36.8 | -179.9 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | L906 A907 D908 L914 I1009 L1026 L1030 | L906-C910 WeakPolarHBondContact O-CB 3.24Å; L906-C910 PolarHBondContact O-N 2.84Å; L906-C910 PolarHBondContact O-SG 2.87Å; A907-C910 PolarHBondContact O-N 2.64Å; A907-C910 VanDerWaalsContact O-N 3.15Å; D908-C910 PolarHBondContact O-N 3Å; C910-L914 WeakPolarHBondContact O-CB 3.48Å; C910-L914 PolarHBondContact O-N 3.38Å; C910-I1009 HydrophobicContact CB-CD1 4.04Å; C910-L1026 HydrophobicContact CB-CD1 4.14Å; C910-L1030 HydrophobicContact CB-CD1 4.08Å; C910-L1030 HydrophobicContact CB-CD2 3.74Å; C910-L1030 HydrophobicContact CB-CG 4.39Å |
| 911 | V | 90.8 | Very high | 89.5 | Confident | 21 Ų | 21 | 23 Ų | 23 | 13% | 0.127 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 173.7 | 163.2 | 0 | 0 | 0 | 0 | 111.1 | A907 D908 R913 L914 D915 L1030 R1033 | A907-V911 WeakPolarHBondContact O-CB 3.29Å; A907-V911 WeakPolarHBondContact O-CG2 3.38Å; A907-V911 PolarHBondContact O-N 3.46Å; D908-V911 PolarHBondContact O-N 2.6Å; V911-R913 VanDerWaalsContact C-N 3.34Å; V911-R913 PolarHBondContact O-N 2.65Å; V911-L914 WeakPolarHBondContact O-CA 3.47Å; V911-L914 WeakPolarHBondContact O-CB 3.41Å; V911-L914 PolarHBondContact O-N 2.75Å; V911-D915 PolarHBondContact O-N 3.28Å; V911-L1030 HydrophobicContact CG2-CD2 3.96Å; V911-R1033 HydrophobicContact CG1-CG 4.1Å |
| 912 | L | 88.2 | Confident | 89.3 | Confident | 32 Ų | 32 | 21 Ų | 21 | 17% | 0.168 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.1 | -43.6 | 177.3 | -175.2 | 65.1 | 0 | 0 | 0 | 111.4 | L794 F823 D908 L914 L916 L1592 | L794-L912 HydrophobicContact CD1-CD2 4.26Å; L794-L912 HydrophobicContact CD2-CD2 4.07Å; F823-L912 HydrophobicContact CE2-CD2 4.03Å; F823-L912 HydrophobicContact CE2-CG 4.46Å; F823-L912 HydrophobicContact CZ-CB 4.33Å; F823-L912 HydrophobicContact CZ-CD2 4.12Å; F823-L912 HydrophobicContact CZ-CG 4.38Å; D908-L912 WeakPolarHBondContact O-CB 3.19Å; D908-L912 PolarHBondContact O-N 3.38Å; L912-L914 VanDerWaalsContact C-N 3.33Å; L912-L914 PolarHBondContact O-N 2.82Å; L912-L916 HydrophobicContact CD1-CD1 3.88Å; L912-L916 HydrophobicContact CD1-CG 4.35Å; L912-L916 HydrophobicContact CG-CD1 3.93Å; L912-L916 WeakPolarHBondContact O-CB 3.23Å; L912-L916 VanDerWaalsContact O-CG 3.29Å; L912-L916 WeakPolarHBondContact O-CG 3.48Å; L912-L916 PolarHBondContact O-N 3.17Å; L912-L1592 HydrophobicContact CD1-CD1 3.6Å; L912-L1592 HydrophobicContact CD1-CD2 4.5Å |
| 913 | R | 87.8 | Confident | 89 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 2% | 0.015 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -68.2 | -31.6 | 174.3 | -159.6 | 178.1 | -175.8 | -134 | -4.9 | 112.8 | D820 F823 L909 V911 I917 A918 I1005 E1008 | D820-R913 IonicContact OD1-CZ 2.88Å; D820-R913 IonicContact OD1-NE 3.23Å; D820-R913 PolarHBondContact OD1-NE 2.81Å; D820-R913 IonicContact OD1-NH2 3.99Å; D820-R913 PolarHBondContact OD1-NH2 2.99Å; D820-R913 IonicContact OD2-NH2 2.76Å; D820-R913 PolarHBondContact OD2-NH2 3.37Å; F823-R913 HydrophobicContact CD1-CB 4.25Å; F823-R913 HydrophobicContact CD1-CG 4.23Å; F823-R913 HydrophobicContact CE1-CB 3.71Å; F823-R913 HydrophobicContact CE1-CG 4.2Å; F823-R913 HydrophobicContact CZ-CB 4.12Å; L909-R913 PolarHBondContact O-N 2.91Å; L909-R913 VanDerWaalsContact O-N 3.11Å; V911-R913 VanDerWaalsContact C-N 3.34Å; V911-R913 PolarHBondContact O-N 2.65Å; R913-I917 HydrophobicContact CG-CD1 4Å; R913-I917 PolarHBondContact O-N 2.59Å; R913-I917 VanDerWaalsContact O-N 3.16Å; R913-A918 PolarHBondContact O-N 3.38Å; R913-I1005 HydrophobicContact CG-CG2 4.43Å; R913-E1008 IonicContact CZ-OE2 3.44Å; R913-E1008 VanDerWaalsContact CZ-OE2 3.31Å; R913-E1008 IonicContact NH1-OE2 2.79Å; R913-E1008 PolarHBondContact NH1-OE2 3.38Å; R913-E1008 IonicContact NH2-OE2 3.24Å; R913-E1008 PolarHBondContact NH2-OE2 3.25Å |
| 914 | L | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.121 | C | C | . | . | I | π-helix | trans | -68.7 | -48.8 | 177.1 | -164 | 82.4 | 0 | 0 | 0 | 111 | C910 V911 L912 A918 I919 L1006 L1030 R1033 L1034 | C910-L914 WeakPolarHBondContact O-CB 3.48Å; C910-L914 PolarHBondContact O-N 3.38Å; V911-L914 WeakPolarHBondContact O-CA 3.47Å; V911-L914 WeakPolarHBondContact O-CB 3.41Å; V911-L914 PolarHBondContact O-N 2.75Å; L912-L914 VanDerWaalsContact C-N 3.33Å; L912-L914 PolarHBondContact O-N 2.82Å; L914-A918 HydrophobicContact CD1-CB 3.75Å; L914-A918 HydrophobicContact CG-CB 4.21Å; L914-A918 WeakPolarHBondContact O-CB 3.49Å; L914-A918 PolarHBondContact O-N 3.31Å; L914-A918 VanDerWaalsContact O-N 3.08Å; L914-I919 HydrophobicContact CD2-CD1 3.85Å; L914-I919 HydrophobicContact CG-CD1 3.83Å; L914-I919 HydrophobicContact CG-CG1 4.15Å; L914-I919 PolarHBondContact O-N 3.26Å; L914-L1006 HydrophobicContact CD1-CD2 4.08Å; L914-L1030 HydrophobicContact CB-CD2 4.37Å; L914-L1030 HydrophobicContact CD2-CB 4.49Å; L914-L1030 HydrophobicContact CD2-CD2 4.2Å; L914-L1030 WeakPolarHBondContact CD2-O 3.5Å; L914-R1033 HydrophobicContact CD2-CB 4.13Å; L914-R1033 HydrophobicContact CD2-CG 4.3Å; L914-L1034 HydrophobicContact CD2-CB 4.32Å |
| 915 | D | 86.7 | Confident | 88.1 | Confident | 22 Ų | 22 | 22.4 Ų | 22.4 | 12% | 0.118 | 11% | 0.113 | C | C | . | . | I | π-helix | trans | -66.5 | -43 | 179 | -83.4 | -13.2 | 0 | 0 | 0 | 112 | V911 P920 R1033 R1037 | V911-D915 PolarHBondContact O-N 3.28Å; D915-P920 VanDerWaalsContact O-CD 3.25Å; D915-P920 WeakPolarHBondContact O-CD 3.25Å; D915-P920 VanDerWaalsContact O-CG 3.25Å; D915-P920 WeakPolarHBondContact O-CG 3.33Å; D915-R1033 IonicContact OD1-NE 2.81Å; D915-R1033 IonicContact OD2-CZ 2.81Å; D915-R1033 IonicContact OD2-NE 3.26Å; D915-R1033 PolarHBondContact OD2-NE 2.91Å; D915-R1033 IonicContact OD2-NH2 3.17Å; D915-R1033 PolarHBondContact OD2-NH2 3.28Å; D915-R1037 IonicContact OD1-CZ 2.79Å; D915-R1037 IonicContact OD1-NE 2.94Å; D915-R1037 PolarHBondContact OD1-NE 3.35Å; D915-R1037 IonicContact OD1-NH2 3.76Å; D915-R1037 IonicContact OD2-CZ 3.2Å; D915-R1037 IonicContact OD2-NE 2.89Å; D915-R1037 PolarHBondContact OD2-NE 2.56Å; D915-R1037 IonicContact OD2-NH2 2.75Å; D915-R1037 PolarHBondContact OD2-NH2 3.2Å |
| 916 | L | 83.5 | Confident | 87.8 | Confident | 45 Ų | 45 | 20.2 Ų | 20.2 | 24% | 0.236 | 10% | 0.104 | C | C | . | . | I | π-helix | trans | -76.3 | -35.9 | -177.1 | -70.5 | 172 | 0 | 0 | 0 | 114.5 | L794 L912 L1592 | L794-L916 HydrophobicContact CD2-CD1 4.12Å; L912-L916 HydrophobicContact CD1-CD1 3.88Å; L912-L916 HydrophobicContact CD1-CG 4.35Å; L912-L916 HydrophobicContact CG-CD1 3.93Å; L912-L916 WeakPolarHBondContact O-CB 3.23Å; L912-L916 VanDerWaalsContact O-CG 3.29Å; L912-L916 WeakPolarHBondContact O-CG 3.48Å; L912-L916 PolarHBondContact O-N 3.17Å; L916-L1592 HydrophobicContact CD2-CD1 4.16Å |
| 917 | I | 83.2 | Confident | 87.4 | Confident | 53 Ų | 53 | 21.8 Ų | 21.8 | 27% | 0.272 | 11% | 0.114 | S | C | . | . | I | π-helix | trans | -120.8 | -46.4 | -169.8 | -48.3 | 179.1 | 0 | 0 | 0 | 112 | R913 Q921 I1005 | R913-I917 HydrophobicContact CG-CD1 4Å; R913-I917 PolarHBondContact O-N 2.59Å; R913-I917 VanDerWaalsContact O-N 3.16Å; I917-Q921 WeakPolarHBondContact O-CB 3.29Å; I917-Q921 WeakPolarHBondContact O-CG 3.33Å; I917-I1005 HydrophobicContact CB-CD1 3.96Å; I917-I1005 HydrophobicContact CG2-CD1 3.7Å |
| 918 | A | 85.1 | Confident | 86.8 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -80.3 | -37.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R913 L914 L922 T1002 I1005 | R913-A918 PolarHBondContact O-N 3.38Å; L914-A918 HydrophobicContact CD1-CB 3.75Å; L914-A918 HydrophobicContact CG-CB 4.21Å; L914-A918 WeakPolarHBondContact O-CB 3.49Å; L914-A918 PolarHBondContact O-N 3.31Å; L914-A918 VanDerWaalsContact O-N 3.08Å; A918-L922 VanDerWaalsContact O-CB 3.31Å; A918-L922 WeakPolarHBondContact O-CB 3.28Å; A918-L922 PolarHBondContact O-N 2.99Å; A918-T1002 HydrophobicContact CB-CG2 4.01Å; A918-T1002 PolarHBondContact O-OG1 3.45Å; A918-I1005 HydrophobicContact CB-CB 4.46Å; A918-I1005 HydrophobicContact CB-CD1 3.74Å; A918-I1005 HydrophobicContact CB-CG2 4.4Å |
| 919 | I | 88.7 | Confident | 86.4 | Confident | 7 Ų | 7 | 21 Ų | 21 | 4% | 0.036 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -80.1 | -44.1 | -179.3 | -73.1 | 164.4 | 0 | 0 | 0 | 112.5 | L914 Q921 L922 L923 L1034 R1037 | L914-I919 HydrophobicContact CD2-CD1 3.85Å; L914-I919 HydrophobicContact CG-CD1 3.83Å; L914-I919 HydrophobicContact CG-CG1 4.15Å; L914-I919 PolarHBondContact O-N 3.26Å; I919-Q921 PolarHBondContact O-N 3.25Å; I919-L922 WeakPolarHBondContact O-CB 3.47Å; I919-L922 PolarHBondContact O-N 3.11Å; I919-L922 VanDerWaalsContact O-N 3.16Å; I919-L923 HydrophobicContact CG2-CD1 3.92Å; I919-L923 HydrophobicContact CG2-CG 4.42Å; I919-L923 WeakPolarHBondContact O-CG 3.44Å; I919-L923 PolarHBondContact O-N 2.89Å; I919-L1034 HydrophobicContact CD1-CD1 4.41Å; I919-L1034 HydrophobicContact CG1-CD1 3.9Å; I919-R1037 HydrophobicContact CD1-CB 3.9Å; I919-R1037 HydrophobicContact CD1-CG 3.91Å; I919-R1037 HydrophobicContact CG2-CB 4.16Å |
| 920 | P | 85.4 | Confident | 86.1 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 6% | 0.058 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.3 | -39.5 | -177.4 | -21.3 | 35.1 | 0 | 0 | 0 | 112 | D915 L922 L923 L924 L1588 | D915-P920 VanDerWaalsContact O-CD 3.25Å; D915-P920 WeakPolarHBondContact O-CD 3.25Å; D915-P920 VanDerWaalsContact O-CG 3.25Å; D915-P920 WeakPolarHBondContact O-CG 3.33Å; P920-L922 VanDerWaalsContact C-N 3.32Å; P920-L922 PolarHBondContact O-N 2.87Å; P920-L923 PolarHBondContact O-N 3.02Å; P920-L924 WeakPolarHBondContact O-CB 3.39Å; P920-L924 PolarHBondContact O-N 2.82Å; P920-L1588 HydrophobicContact CB-CD1 3.78Å; P920-L1588 HydrophobicContact CB-CD2 3.88Å; P920-L1588 HydrophobicContact CB-CG 4.09Å; P920-L1588 HydrophobicContact CG-CD1 4.08Å; P920-L1588 HydrophobicContact CG-CD2 3.67Å; P920-L1588 HydrophobicContact CG-CG 4.35Å |
| 921 | Q | 82.2 | Confident | 85.4 | Confident | 35 Ų | 35 | 25.1 Ų | 25.1 | 16% | 0.164 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67 | -32.2 | 174.2 | -66 | -66.9 | -31.1 | 0 | 0 | 112.5 | I917 I919 Y925 I1001 | I917-Q921 WeakPolarHBondContact O-CB 3.29Å; I917-Q921 WeakPolarHBondContact O-CG 3.33Å; I919-Q921 PolarHBondContact O-N 3.25Å; Q921-Y925 VanDerWaalsContact O-CB 3.32Å; Q921-Y925 WeakPolarHBondContact O-CB 3.1Å; Q921-Y925 PolarHBondContact O-N 3.39Å; Q921-I1001 HydrophobicContact CB-CG2 3.43Å; Q921-I1001 VanDerWaalsContact CB-CG2 3.43Å; Q921-I1001 HydrophobicContact CG-CG2 4.03Å |
| 922 | L | 88.6 | Confident | 84.7 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.9 | -45.9 | 173 | 174.9 | 62.2 | 0 | 0 | 0 | 111.7 | A918 I919 P920 Y925 L926 T1002 L1034 L1038 W1070 | A918-L922 VanDerWaalsContact O-CB 3.31Å; A918-L922 WeakPolarHBondContact O-CB 3.28Å; A918-L922 PolarHBondContact O-N 2.99Å; I919-L922 WeakPolarHBondContact O-CB 3.47Å; I919-L922 PolarHBondContact O-N 3.11Å; I919-L922 VanDerWaalsContact O-N 3.16Å; P920-L922 VanDerWaalsContact C-N 3.32Å; P920-L922 PolarHBondContact O-N 2.87Å; L922-Y925 WeakPolarHBondContact O-CB 3.02Å; L922-Y925 PolarHBondContact O-N 3.18Å; L922-L926 HydrophobicContact CD1-CD1 4.1Å; L922-L926 HydrophobicContact CD1-CG 4.21Å; L922-L926 HydrophobicContact CG-CD1 4.05Å; L922-L926 WeakPolarHBondContact O-CG 3.44Å; L922-L926 PolarHBondContact O-N 3.22Å; L922-T1002 HydrophobicContact CD2-CG2 4.49Å; L922-L1034 HydrophobicContact CD2-CD1 4.04Å; L922-L1038 HydrophobicContact CD2-CD1 4.07Å; L922-L1038 HydrophobicContact CD2-CD2 3.91Å; L922-L1038 HydrophobicContact CD2-CG 4.46Å; L922-L1038 HydrophobicContact CG-CD2 4.4Å; L922-W1070 HydrophobicContact CD1-CD2 3.97Å; L922-W1070 VanDerWaalsContact CD1-CE2 3.46Å; L922-W1070 HydrophobicContact CD1-CG 4.43Å; L922-W1070 HydrophobicContact CD1-CH2 4.19Å; L922-W1070 HydrophobicContact CD1-CZ2 3.6Å; L922-W1070 HydrophobicContact CD2-CH2 3.32Å; L922-W1070 HydrophobicContact CD2-CZ2 3.46Å; L922-W1070 VanDerWaalsContact CD2-CZ2 3.46Å; L922-W1070 HydrophobicContact CD2-CZ3 3.94Å; L922-W1070 HydrophobicContact CG-CH2 4.4Å; L922-W1070 HydrophobicContact CG-CZ2 4.19Å |
| 923 | L | 88 | Confident | 84.1 | Confident | 9 Ų | 9 | 27.4 Ų | 27.4 | 5% | 0.047 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 176.9 | -70.8 | 172.5 | 0 | 0 | 0 | 110.9 | I919 P920 Y925 L926 T927 L1038 F1041 L1587 | I919-L923 HydrophobicContact CG2-CD1 3.92Å; I919-L923 HydrophobicContact CG2-CG 4.42Å; I919-L923 WeakPolarHBondContact O-CG 3.44Å; I919-L923 PolarHBondContact O-N 2.89Å; P920-L923 PolarHBondContact O-N 3.02Å; L923-Y925 VanDerWaalsContact C-N 3.32Å; L923-Y925 PolarHBondContact O-N 2.76Å; L923-L926 PolarHBondContact O-N 2.75Å; L923-T927 WeakPolarHBondContact O-CB 3.19Å; L923-T927 PolarHBondContact O-N 3.18Å; L923-T927 PolarHBondContact O-OG1 3.4Å; L923-T927 VanDerWaalsContact O-OG1 3.09Å; L923-L1038 HydrophobicContact CD2-CD2 3.59Å; L923-L1038 HydrophobicContact CG-CD2 4.21Å; L923-F1041 HydrophobicContact CD1-CB 4.26Å; L923-F1041 HydrophobicContact CD1-CD1 4.43Å; L923-F1041 HydrophobicContact CD1-CD2 3.74Å; L923-F1041 HydrophobicContact CD1-CE2 4.18Å; L923-F1041 HydrophobicContact CD1-CG 3.87Å; L923-F1041 HydrophobicContact CD2-CB 4.24Å; L923-F1041 HydrophobicContact CD2-CD1 3.46Å; L923-F1041 VanDerWaalsContact CD2-CD1 3.46Å; L923-F1041 HydrophobicContact CD2-CD2 4.28Å; L923-F1041 HydrophobicContact CD2-CE1 3.82Å; L923-F1041 HydrophobicContact CD2-CG 3.72Å; L923-F1041 HydrophobicContact CD2-CZ 4.36Å; L923-F1041 HydrophobicContact CG-CG 4.42Å; L923-L1587 HydrophobicContact CB-CD1 3.83Å; L923-L1587 HydrophobicContact CB-CD2 3.97Å; L923-L1587 HydrophobicContact CB-CG 4.45Å; L923-L1587 HydrophobicContact CD1-CD2 3.87Å |
| 924 | L | 84.2 | Confident | 83.3 | Confident | 38 Ų | 38 | 28.6 Ų | 28.6 | 20% | 0.199 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.8 | -39.8 | 173.5 | -176 | 62.9 | 0 | 0 | 0 | 112.5 | P920 K928 L1587 | P920-L924 WeakPolarHBondContact O-CB 3.39Å; P920-L924 PolarHBondContact O-N 2.82Å; L924-K928 HydrophobicContact CD1-CD 4.39Å; L924-K928 HydrophobicContact CG-CD 4.31Å; L924-K928 WeakPolarHBondContact O-CB 3.21Å; L924-K928 VanDerWaalsContact O-CG 3.28Å; L924-K928 WeakPolarHBondContact O-CG 3.24Å; L924-K928 PolarHBondContact O-N 2.71Å; L924-K928 VanDerWaalsContact O-N 3.12Å; L924-L1587 HydrophobicContact CB-CD1 4.01Å |
| 925 | Y | 84.2 | Confident | 81.7 | Confident | 44 Ų | 44 | 34 Ų | 34 | 17% | 0.173 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 174.3 | 170 | -90.2 | 0 | 0 | 0 | 112.3 | Q921 L922 L923 K928 S929 M994 L995 | Q921-Y925 VanDerWaalsContact O-CB 3.32Å; Q921-Y925 WeakPolarHBondContact O-CB 3.1Å; Q921-Y925 PolarHBondContact O-N 3.39Å; L922-Y925 WeakPolarHBondContact O-CB 3.02Å; L922-Y925 PolarHBondContact O-N 3.18Å; L923-Y925 VanDerWaalsContact C-N 3.32Å; L923-Y925 PolarHBondContact O-N 2.76Å; Y925-K928 PolarHBondContact O-N 3.37Å; Y925-S929 WeakPolarHBondContact O-CB 3.32Å; Y925-S929 PolarHBondContact O-N 2.86Å; Y925-S929 PolarHBondContact O-OG 2.81Å; Y925-M994 HydrophobicContact CE2-CE 4.16Å; Y925-M994 HydrophobicContact CE2-CG 4.21Å; Y925-M994 PolarHBondContact OH-O 3.48Å; Y925-M994 VanDerWaalsContact OH-O 3.09Å; Y925-L995 WeakPolarHBondContact OH-CA 3.49Å |
| 926 | L | 86.5 | Confident | 80 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -67.2 | -45.3 | 178.9 | -70.6 | 169.6 | 0 | 0 | 0 | 111.3 | L922 L923 K928 S929 V930 L1038 W1063 C1066 L1067 W1070 | L922-L926 HydrophobicContact CD1-CD1 4.1Å; L922-L926 HydrophobicContact CD1-CG 4.21Å; L922-L926 HydrophobicContact CG-CD1 4.05Å; L922-L926 WeakPolarHBondContact O-CG 3.44Å; L922-L926 PolarHBondContact O-N 3.22Å; L923-L926 PolarHBondContact O-N 2.75Å; L926-K928 VanDerWaalsContact C-N 3.35Å; L926-K928 PolarHBondContact O-N 3.23Å; L926-S929 WeakPolarHBondContact O-CA 3.32Å; L926-S929 VanDerWaalsContact O-CB 3.3Å; L926-S929 WeakPolarHBondContact O-CB 3.32Å; L926-S929 PolarHBondContact O-N 2.93Å; L926-V930 WeakPolarHBondContact O-CG2 3.33Å; L926-V930 PolarHBondContact O-N 3.09Å; L926-L1038 HydrophobicContact CD1-CD2 4.4Å; L926-W1063 HydrophobicContact CB-CE3 4.46Å; L926-W1063 HydrophobicContact CB-CH2 3.91Å; L926-W1063 HydrophobicContact CB-CZ3 3.58Å; L926-W1063 HydrophobicContact CD1-CZ3 4.33Å; L926-C1066 HydrophobicContact CD2-CB 4.29Å; L926-L1067 HydrophobicContact CD1-CD2 3.86Å; L926-W1070 HydrophobicContact CD2-CB 4.41Å |
| 927 | T | 86 | Confident | 78.2 | Confident | 36 Ų | 36 | 40.7 Ų | 40.7 | 22% | 0.221 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 174.9 | -60.3 | 0 | 0 | 0 | 0 | 111.5 | L923 S929 V930 Q931 W1063 | L923-T927 WeakPolarHBondContact O-CB 3.19Å; L923-T927 PolarHBondContact O-N 3.18Å; L923-T927 PolarHBondContact O-OG1 3.4Å; L923-T927 VanDerWaalsContact O-OG1 3.09Å; T927-S929 VanDerWaalsContact C-N 3.33Å; T927-S929 PolarHBondContact O-N 3.2Å; T927-V930 PolarHBondContact O-N 2.85Å; T927-Q931 WeakPolarHBondContact O-CG 3.31Å; T927-Q931 PolarHBondContact O-N 2.79Å; T927-W1063 WeakPolarHBondContact OG1-CH2 2.99Å; T927-W1063 WeakPolarHBondContact OG1-CZ2 3.47Å |
| 928 | K | 81.5 | Confident | 75.9 | Confident | 77 Ų | 77 | 41.6 Ų | 41.6 | 34% | 0.335 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62.9 | -37.3 | 174.5 | -73.8 | 171.9 | 179.6 | 174.8 | 0 | 112.5 | L924 Y925 L926 V930 Q931 I932 | L924-K928 HydrophobicContact CD1-CD 4.39Å; L924-K928 HydrophobicContact CG-CD 4.31Å; L924-K928 WeakPolarHBondContact O-CB 3.21Å; L924-K928 VanDerWaalsContact O-CG 3.28Å; L924-K928 WeakPolarHBondContact O-CG 3.24Å; L924-K928 PolarHBondContact O-N 2.71Å; L924-K928 VanDerWaalsContact O-N 3.12Å; Y925-K928 PolarHBondContact O-N 3.37Å; L926-K928 VanDerWaalsContact C-N 3.35Å; L926-K928 PolarHBondContact O-N 3.23Å; K928-V930 VanDerWaalsContact C-N 3.34Å; K928-Q931 PolarHBondContact O-N 2.89Å; K928-I932 WeakPolarHBondContact O-CD1 3.49Å; K928-I932 VanDerWaalsContact O-CG1 3.3Å; K928-I932 WeakPolarHBondContact O-CG1 3.45Å; K928-I932 PolarHBondContact O-N 2.72Å; K928-I932 VanDerWaalsContact O-N 3.12Å |
| 929 | S | 81.2 | Confident | 73.4 | Confident | 3 Ų | 3 | 46.6 Ų | 46.6 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.8 | -40.1 | 174.7 | -56.2 | 0 | 0 | 0 | 0 | 112.3 | Y925 L926 T927 L933 M994 | Y925-S929 WeakPolarHBondContact O-CB 3.32Å; Y925-S929 PolarHBondContact O-N 2.86Å; Y925-S929 PolarHBondContact O-OG 2.81Å; L926-S929 WeakPolarHBondContact O-CA 3.32Å; L926-S929 VanDerWaalsContact O-CB 3.3Å; L926-S929 WeakPolarHBondContact O-CB 3.32Å; L926-S929 PolarHBondContact O-N 2.93Å; T927-S929 VanDerWaalsContact C-N 3.33Å; T927-S929 PolarHBondContact O-N 3.2Å; S929-L933 PolarHBondContact O-N 2.7Å; S929-M994 WeakPolarHBondContact OG-CE 3.29Å |
| 930 | V | 83.8 | Confident | 70.8 | Confident | 14 Ų | 14 | 52.6 Ų | 52.6 | 9% | 0.085 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -71.1 | -43.2 | 177.9 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L926 T927 K928 I932 L933 S934 I1062 W1063 C1066 | L926-V930 WeakPolarHBondContact O-CG2 3.33Å; L926-V930 PolarHBondContact O-N 3.09Å; T927-V930 PolarHBondContact O-N 2.85Å; K928-V930 VanDerWaalsContact C-N 3.34Å; V930-I932 VanDerWaalsContact C-N 3.32Å; V930-I932 PolarHBondContact O-N 3.15Å; V930-L933 PolarHBondContact O-N 2.71Å; V930-S934 WeakPolarHBondContact O-CB 3.47Å; V930-S934 PolarHBondContact O-N 2.96Å; V930-I1062 HydrophobicContact CB-CG2 4.19Å; V930-I1062 HydrophobicContact CG1-CB 4.26Å; V930-I1062 HydrophobicContact CG1-CG2 3.84Å; V930-I1062 HydrophobicContact CG2-CG2 4.16Å; V930-W1063 HydrophobicContact CG1-CG 4.41Å; V930-W1063 HydrophobicContact CG2-CB 4.39Å; V930-W1063 HydrophobicContact CG2-CD2 3.73Å; V930-W1063 HydrophobicContact CG2-CE3 4.3Å; V930-W1063 HydrophobicContact CG2-CG 3.75Å; V930-W1063 HydrophobicContact CG2-CZ2 4.45Å; V930-C1066 HydrophobicContact CG2-CB 4.16Å |
| 931 | Q | 78.7 | Confident | 68.1 | Low | 77 Ų | 77 | 56.5 Ų | 56.5 | 36% | 0.36 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -55.5 | -46.4 | 174.6 | -73.8 | 170.4 | -26 | 0 | 0 | 111.6 | T927 K928 L933 S934 N935 | T927-Q931 WeakPolarHBondContact O-CG 3.31Å; T927-Q931 PolarHBondContact O-N 2.79Å; K928-Q931 PolarHBondContact O-N 2.89Å; Q931-L933 PolarHBondContact O-N 3.3Å; Q931-S934 PolarHBondContact O-N 2.98Å; Q931-N935 PolarHBondContact O-N 3.48Å; Q931-N935 VanDerWaalsContact O-N 3.14Å; Q931-N935 PolarHBondContact O-OD1 2.9Å |
| 932 | I | 76.6 | Confident | 65.5 | Low | 68 Ų | 68 | 62.2 Ų | 62.2 | 35% | 0.349 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 178.7 | -69 | 165.5 | 0 | 0 | 0 | 112.1 | K928 V930 M994 | K928-I932 WeakPolarHBondContact O-CD1 3.49Å; K928-I932 VanDerWaalsContact O-CG1 3.3Å; K928-I932 WeakPolarHBondContact O-CG1 3.45Å; K928-I932 PolarHBondContact O-N 2.72Å; K928-I932 VanDerWaalsContact O-N 3.12Å; V930-I932 VanDerWaalsContact C-N 3.32Å; V930-I932 PolarHBondContact O-N 3.15Å; I932-M994 HydrophobicContact CD1-CE 4.03Å; I932-M994 HydrophobicContact CD1-SD 3.63Å |
| 933 | L | 74.2 | Confident | 62.7 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -74 | -32.3 | 175.7 | -102.9 | 64.8 | 0 | 0 | 0 | 113.3 | S929 V930 Q931 H936 Y991 I1062 K1065 | S929-L933 PolarHBondContact O-N 2.7Å; V930-L933 PolarHBondContact O-N 2.71Å; Q931-L933 PolarHBondContact O-N 3.3Å; L933-H936 WeakPolarHBondContact O-CB 3.24Å; L933-H936 PolarHBondContact O-N 3Å; L933-Y991 HydrophobicContact CD1-CD2 3.38Å; L933-Y991 HydrophobicContact CD1-CE2 3.46Å; L933-Y991 VanDerWaalsContact CD1-CE2 3.46Å; L933-Y991 HydrophobicContact CD1-CG 4.17Å; L933-Y991 HydrophobicContact CD2-CE2 4.29Å; L933-I1062 HydrophobicContact CB-CD1 4.41Å; L933-I1062 HydrophobicContact CB-CG2 3.45Å; L933-I1062 VanDerWaalsContact CB-CG2 3.45Å; L933-I1062 HydrophobicContact CD2-CG2 3.93Å; L933-I1062 HydrophobicContact CG-CG2 4.34Å; L933-K1065 HydrophobicContact CD2-CD 4.5Å |
| 934 | S | 71.5 | Confident | 59.8 | Low | 28 Ų | 28 | 74.8 Ų | 74.8 | 20% | 0.196 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -68.4 | -47.4 | -178.9 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | V930 Q931 H936 H937 | V930-S934 WeakPolarHBondContact O-CB 3.47Å; V930-S934 PolarHBondContact O-N 2.96Å; Q931-S934 PolarHBondContact O-N 2.98Å; S934-H936 PolarHBondContact O-N 3.43Å; S934-H937 PolarHBondContact O-N 3.09Å; S934-H937 VanDerWaalsContact O-N 3.08Å |
| 935 | N | 56.5 | Low | 57.1 | Low | 115 Ų | 115 | 77.9 Ų | 77.9 | 62% | 0.615 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.3 | -30.3 | 178.6 | -65.6 | 5.6 | 0 | 0 | 0 | 111.7 | Q931 H937 Y938 | Q931-N935 PolarHBondContact O-N 3.48Å; Q931-N935 VanDerWaalsContact O-N 3.14Å; Q931-N935 PolarHBondContact O-OD1 2.9Å; N935-H937 PolarHBondContact O-N 3.46Å; N935-Y938 PolarHBondContact O-N 2.85Å |
| 936 | H | 49.5 | Very low | 54.4 | Low | 75 Ų | 75 | 83.2 Ų | 83.2 | 35% | 0.347 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.1 | 178.5 | -121.2 | -63.1 | 0 | 0 | 0 | 114.9 | L933 S934 K987 | L933-H936 WeakPolarHBondContact O-CB 3.24Å; L933-H936 PolarHBondContact O-N 3Å; S934-H936 PolarHBondContact O-N 3.43Å; H936-K987 WeakPolarHBondContact CE1-CD 3.23Å; H936-K987 WeakPolarHBondContact NE2-CB 3.43Å; H936-K987 WeakPolarHBondContact NE2-CD 3.46Å |
| 937 | H | 46.1 | Very low | 51.8 | Low | 131 Ų | 131 | 90.4 Ų | 90.4 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -12.8 | -179.6 | -130.3 | -63.7 | 0 | 0 | 0 | 113.9 | S934 N935 | S934-H937 PolarHBondContact O-N 3.09Å; S934-H937 VanDerWaalsContact O-N 3.08Å; N935-H937 PolarHBondContact O-N 3.46Å |
| 938 | Y | 35.6 | Very low | 49.2 | Very low | 73 Ų | 73 | 93.5 Ų | 93.5 | 29% | 0.286 | 51% | 0.51 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -39.1 | 179.5 | -90 | -102.2 | 0 | 0 | 0 | 113.5 | N935 N940 C941 N1138 A1139 N1140 | N935-Y938 PolarHBondContact O-N 2.85Å; Y938-N940 PolarHBondContact O-N 2.77Å; Y938-N940 VanDerWaalsContact O-N 3.14Å; Y938-C941 PolarHBondContact O-N 3.21Å; Y938-N1138 PolarHBondContact OH-O 3.44Å; Y938-A1139 HydrophobicContact CE1-CB 4.05Å; Y938-A1139 WeakPolarHBondContact CE1-O 3.18Å; Y938-A1139 VanDerWaalsContact OH-CA 3.31Å; Y938-A1139 WeakPolarHBondContact OH-CA 3.49Å; Y938-N1140 PolarHBondContact OH-N 3.18Å |
| 939 | E | 32.1 | Very low | 46.6 | Very low | 104 Ų | 104 | 98.8 Ų | 98.8 | 49% | 0.486 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -54.8 | -35.8 | -179.1 | -77.2 | -176.8 | 147.6 | 0 | 0 | 112.7 | C941 K987 | E939-C941 VanDerWaalsContact C-N 3.28Å; E939-C941 PolarHBondContact O-N 3.1Å; E939-K987 IonicContact OE1-NZ 2.64Å; E939-K987 PolarHBondContact OE1-NZ 3.05Å; E939-K987 IonicContact OE2-NZ 2.73Å; E939-K987 PolarHBondContact OE2-NZ 2.81Å |
| 940 | N | 34.4 | Very low | 44.2 | Very low | 133 Ų | 133 | 106.6 Ų | 106.6 | 71% | 0.711 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -78.4 | -2.9 | -177.8 | -72.4 | -4.1 | 0 | 0 | 0 | 114.7 | Y938 | Y938-N940 PolarHBondContact O-N 2.77Å; Y938-N940 VanDerWaalsContact O-N 3.14Å |
| 941 | C | 29.5 | Very low | 41.4 | Very low | 91 Ų | 91 | 111.2 Ų | 111.2 | 62% | 0.615 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -111.4 | -5.9 | 178.5 | -69.3 | 0 | 0 | 0 | 0 | 113.8 | Y938 E939 | Y938-C941 PolarHBondContact O-N 3.21Å; E939-C941 VanDerWaalsContact C-N 3.28Å; E939-C941 PolarHBondContact O-N 3.1Å |
| 942 | M | 27.4 | Very low | 39.5 | Very low | 155 Ų | 155 | 112.6 Ų | 112.6 | 76% | 0.764 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -111 | 25.8 | -174.9 | -82 | -67.5 | -177.3 | 0 | 0 | 113.9 | ||
| 943 | T | 29.9 | Very low | 37.2 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 68% | 0.675 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -127.2 | 32.4 | -178.5 | 43 | 0 | 0 | 0 | 0 | 114.1 | ||
| 944 | D | 26.8 | Very low | 35 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 88% | 0.877 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -151.2 | 42.2 | 175.8 | -119.2 | -20.1 | 0 | 0 | 0 | 116.2 | ||
| 945 | S | 26.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 70% | 0.698 | S | S | * | * | trans | -161.6 | 110.1 | 156.6 | 53.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 946 | N | 29.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 127.7 Ų | 127.7 | 83% | 0.834 | 71% | 0.709 | S | S | * | * | trans | 157.5 | 95.1 | 132.7 | -84.6 | -46.6 | 0 | 0 | 0 | 112.9 | ||||
| 947 | T | 32.2 | Very low | 30.8 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 93% | 0.926 | 72% | 0.722 | S | S | * | * | trans | -151.4 | 148 | 138 | -7.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 948 | S | 29.9 | Very low | 29.8 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | -91.5 | 148.6 | -163.9 | 54.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 949 | K | 27.9 | Very low | 29.4 | Very low | 187 Ų | 187 | 131.3 Ų | 131.3 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 28.4 | 113.4 | 140.4 | -58.8 | 176.2 | -179.1 | 177.3 | 0 | 116.9 | ||||
| 950 | D | 30.1 | Very low | 29 | Very low | 168 Ų | 168 | 133.8 Ų | 133.8 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | -160.8 | 167.7 | 103.3 | -92.9 | -22 | 0 | 0 | 0 | 110.9 | |||||
| 951 | S | 24.6 | Very low | 28.5 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | trans | -151.2 | 170.3 | -173.1 | 65.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 952 | P | 38.7 | Very low | 28.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 69% | 0.688 | 76% | 0.757 | S | S | * | * | cis | -126.6 | -177 | -0.3 | 43.1 | -29.1 | 0 | 0 | 0 | 113 | ||||
| 953 | D | 28.2 | Very low | 28 | Very low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | -176.7 | 156 | 105.8 | -121.3 | -30.1 | 0 | 0 | 0 | 116.6 | |||||
| 954 | S | 28.9 | Very low | 27.9 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | 72.2 | 114.7 | 162.4 | 68.9 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 955 | C | 27.6 | Very low | 27.8 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 77.9 | 67.3 | 137.5 | -61.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 956 | F | 25.5 | Very low | 28 | Very low | 193 Ų | 193 | 134.7 Ų | 134.7 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | 7.5 | 159.2 | 103.5 | -75.3 | -99.6 | 0 | 0 | 0 | 119.9 | |||||
| 957 | P | 36.5 | Very low | 27.7 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 62% | 0.617 | 75% | 0.747 | S | S | * | * | cis | -154.6 | -171.1 | -36.7 | 44.6 | -24.6 | 0 | 0 | 0 | 117.4 | ||||
| 958 | D | 25.3 | Very low | 27.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 63% | 0.631 | 74% | 0.737 | S | S | * | * | trans | 78.2 | 103.7 | 136.7 | -70 | -26.6 | 0 | 0 | 0 | 126 | ||||
| 959 | Q | 25.9 | Very low | 27.1 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | 90.5 | 140.2 | 108.2 | -77 | -178.5 | 56.2 | 0 | 0 | 125.5 | |||||
| 960 | Q | 24.4 | Very low | 27.1 | Very low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 74% | 0.741 | S | S | * | * | trans | 88.8 | 97 | 139.8 | -84 | -175.3 | 64.8 | 0 | 0 | 123.1 | ||||
| 961 | S | 23.7 | Very low | 26.8 | Very low | 91 Ų | 91 | 130.2 Ų | 130.2 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | 86.9 | 123.7 | 110.3 | 67.8 | 0 | 0 | 0 | 0 | 124.3 | |||||
| 962 | L | 24.1 | Very low | 27 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 84.3 | 136.3 | 140.4 | -95.5 | 72 | 0 | 0 | 0 | 123.1 | ||||
| 963 | D | 23.4 | Very low | 26.4 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 65% | 0.652 | 74% | 0.74 | S | S | * | * | trans | 62.4 | 98.8 | 146.5 | -60.1 | -6.3 | 0 | 0 | 0 | 122.5 | ||||
| 964 | N | 26.8 | Very low | 26.3 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 74% | 0.738 | 74% | 0.743 | S | S | * | * | -172.1 | 130.6 | 84 | -104.6 | -75.4 | 0 | 0 | 0 | 116.8 | |||||
| 965 | N | 25.9 | Very low | 26.2 | Very low | 116 Ų | 116 | 142 Ų | 142 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | 15.2 | 130.8 | 140.8 | -65.1 | -67.3 | 0 | 0 | 0 | 121.2 | ||||
| 966 | N | 28.8 | Very low | 26.1 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | -164.2 | 157.2 | 95.4 | -105.1 | -62.2 | 0 | 0 | 0 | 114.8 | |||||
| 967 | N | 24.1 | Very low | 26.3 | Very low | 149 Ų | 149 | 140.7 Ų | 140.7 | 80% | 0.797 | 74% | 0.738 | S | S | * | * | trans | -86.6 | 144 | -177 | -67.7 | -58.1 | 0 | 0 | 0 | 113.4 | ||||
| 968 | S | 26.5 | Very low | 26.1 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -150.1 | 111.5 | 143.5 | 63.3 | 0 | 0 | 0 | 0 | 110.6 | V970 | S968-V970 PolarHBondContact O-N 3.25Š| ||
| 969 | S | 22.7 | Very low | 26.2 | Very low | 130 Ų | 130 | 145 Ų | 145 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | -63.7 | 125.4 | 169.1 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 970 | V | 27.5 | Very low | 26.1 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 71% | 0.709 | 75% | 0.746 | S | S | * | * | trans | -126.2 | 137 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 109.2 | S968 I972 | S968-V970 PolarHBondContact O-N 3.25Å; V970-I972 PolarHBondContact O-N 2.89Å | ||
| 971 | E | 24.5 | Very low | 26.3 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -62.8 | 122.2 | 179.8 | -62.3 | 159.5 | 130.7 | 0 | 0 | 110.7 | N973 | E971-N973 PolarHBondContact O-N 3.48Å; E971-N973 PolarHBondContact O-ND2 3.15Å | ||
| 972 | I | 28.5 | Very low | 26.4 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | trans | -71 | 106.1 | 179.2 | -62.9 | 179.3 | 0 | 0 | 0 | 108.6 | V970 E974 | V970-I972 PolarHBondContact O-N 2.89Å; I972-E974 PolarHBondContact O-N 3.44Å | ||
| 973 | N | 25.9 | Very low | 26.6 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | trans | -73.8 | 95.9 | 176.8 | -88.6 | -98.9 | 0 | 0 | 0 | 110.1 | E971 R975 | E971-N973 PolarHBondContact O-N 3.48Å; E971-N973 PolarHBondContact O-ND2 3.15Å; N973-R975 PolarHBondContact O-N 2.83Å | ||
| 974 | E | 25.9 | Very low | 26.9 | Very low | 184 Ų | 184 | 140.8 Ų | 140.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 43.5 | -172.5 | -152.5 | 164.3 | -128.2 | 0 | 0 | 114.2 | I972 | I972-E974 PolarHBondContact O-N 3.44Š|
| 975 | R | 26.8 | Very low | 27.3 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.2 | 5 | 174.4 | -75 | -173.8 | 171.1 | 167.1 | -0.9 | 114.3 | N973 | N973-R975 PolarHBondContact O-N 2.83Š|
| 976 | A | 24.9 | Very low | 27.9 | Very low | 61 Ų | 61 | 141 Ų | 141 | 50% | 0.504 | 75% | 0.749 | S | S | . | * | trans | -82.4 | -25.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | I978 N979 | A976-I978 PolarHBondContact O-N 3.01Å; A976-N979 PolarHBondContact O-N 2.87Å; A976-N979 VanDerWaalsContact O-N 3.15Å | ||
| 977 | W | 29.5 | Very low | 28.5 | Very low | 223 Ų | 223 | 136.9 Ų | 136.9 | 85% | 0.845 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 13.7 | -165.1 | -93 | 68.4 | 0 | 0 | 0 | 117.1 | ||
| 978 | I | 33.7 | Very low | 29.3 | Very low | 145 Ų | 145 | 135.3 Ų | 135.3 | 74% | 0.744 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -24.6 | 169.4 | -65.6 | 178.4 | 0 | 0 | 0 | 111.6 | A976 | A976-I978 PolarHBondContact O-N 3.01Š|
| 979 | N | 26.9 | Very low | 29.9 | Very low | 159 Ų | 159 | 135.4 Ų | 135.4 | 85% | 0.85 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -112.9 | 11.7 | -172 | -83.7 | -8.8 | 0 | 0 | 0 | 115.1 | A976 | A976-N979 PolarHBondContact O-N 2.87Å; A976-N979 VanDerWaalsContact O-N 3.15Å |
| 980 | S | 24.2 | Very low | 30.9 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 49% | 0.49 | 69% | 0.686 | S | S | . | * | trans | -132.1 | 62.1 | -175.2 | 63.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 981 | N | 27.7 | Very low | 31.7 | Very low | 129 Ų | 129 | 132.2 Ų | 132.2 | 69% | 0.69 | 66% | 0.662 | S | S | * | * | trans | -147.6 | 94.2 | 157.5 | -119.6 | -10.9 | 0 | 0 | 0 | 109.6 | H983 | N981-H983 PolarHBondContact O-N 3.05Š| ||
| 982 | S | 25.9 | Very low | 33 | Very low | 116 Ų | 116 | 126.5 Ų | 126.5 | 81% | 0.811 | 64% | 0.641 | S | S | * | * | trans | -91.4 | 66.3 | -167.7 | 55.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 983 | H | 28 | Very low | 34 | Very low | 185 Ų | 185 | 125 Ų | 125 | 86% | 0.856 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -155.5 | 144.7 | 158.3 | -109 | 59.4 | 0 | 0 | 0 | 110.9 | N981 | N981-H983 PolarHBondContact O-N 3.05Š|
| 984 | C | 31.3 | Very low | 35.2 | Very low | 72 Ų | 72 | 120.8 Ų | 120.8 | 49% | 0.486 | 61% | 0.605 | S | S | . | * | trans | 62.1 | 84.3 | 176.6 | -156.6 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 985 | P | 34.5 | Very low | 36.6 | Very low | 100 Ų | 100 | 113.9 Ų | 113.9 | 65% | 0.649 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -77.8 | -18.7 | -176.3 | 31.3 | -36 | 0 | 0 | 0 | 115.7 | Q989 | P985-Q989 PolarHBondContact O-N 2.98Å |
| 986 | E | 38.5 | Very low | 37.7 | Very low | 157 Ų | 157 | 108.9 Ų | 108.9 | 73% | 0.734 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -72.3 | -42.8 | -173.3 | -64.7 | -169.3 | 125.9 | 0 | 0 | 113 | Q988 Q989 Q990 | E986-Q988 VanDerWaalsContact C-N 3.35Å; E986-Q988 PolarHBondContact O-N 3.21Å; E986-Q989 WeakPolarHBondContact O-CB 3.45Å; E986-Q989 PolarHBondContact O-N 3.14Å; E986-Q989 VanDerWaalsContact O-N 3.11Å; E986-Q990 PolarHBondContact O-N 3.11Å |
| 987 | K | 40.4 | Very low | 38.9 | Very low | 73 Ų | 73 | 108.7 Ų | 108.7 | 32% | 0.317 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -69.8 | -30.6 | -177.7 | -59.6 | -169.1 | -179.2 | -169.6 | 0 | 112.2 | H936 E939 Q989 Q990 Y991 | H936-K987 WeakPolarHBondContact CE1-CD 3.23Å; H936-K987 WeakPolarHBondContact NE2-CB 3.43Å; H936-K987 WeakPolarHBondContact NE2-CD 3.46Å; E939-K987 IonicContact OE1-NZ 2.64Å; E939-K987 PolarHBondContact OE1-NZ 3.05Å; E939-K987 IonicContact OE2-NZ 2.73Å; E939-K987 PolarHBondContact OE2-NZ 2.81Å; K987-Q989 VanDerWaalsContact C-N 3.34Å; K987-Q989 PolarHBondContact O-N 2.88Å; K987-Q990 WeakPolarHBondContact O-CB 3.14Å; K987-Q990 PolarHBondContact O-N 3.21Å; K987-Y991 PolarHBondContact O-N 2.8Å |
| 988 | Q | 40.6 | Very low | 39.7 | Very low | 115 Ų | 115 | 105 Ų | 105 | 54% | 0.537 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.8 | -34.1 | 169.5 | -75.9 | -169.1 | -6.6 | 0 | 0 | 113.1 | E986 Q990 S992 | E986-Q988 VanDerWaalsContact C-N 3.35Å; E986-Q988 PolarHBondContact O-N 3.21Å; Q988-Q990 PolarHBondContact O-N 3.46Å; Q988-S992 PolarHBondContact O-N 3.44Å; Q988-S992 PolarHBondContact O-OG 3.32Å |
| 989 | Q | 40.9 | Very low | 40.5 | Very low | 105 Ų | 105 | 104.7 Ų | 104.7 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.8 | -28.5 | 170.4 | -74.4 | -162.9 | 13.5 | 0 | 0 | 111.9 | P985 E986 K987 S992 K993 | P985-Q989 PolarHBondContact O-N 2.98Å; E986-Q989 WeakPolarHBondContact O-CB 3.45Å; E986-Q989 PolarHBondContact O-N 3.14Å; E986-Q989 VanDerWaalsContact O-N 3.11Å; K987-Q989 VanDerWaalsContact C-N 3.34Å; K987-Q989 PolarHBondContact O-N 2.88Å; Q989-S992 WeakPolarHBondContact CA-OG 3.49Å; Q989-S992 PolarHBondContact O-OG 3.08Å; Q989-K993 HydrophobicContact CB-CD 4.45Å; Q989-K993 WeakPolarHBondContact O-CB 3.39Å; Q989-K993 VanDerWaalsContact O-CD 3.3Å; Q989-K993 WeakPolarHBondContact O-CD 3.18Å; Q989-K993 WeakPolarHBondContact O-CG 3.26Å; Q989-K993 PolarHBondContact O-N 3.21Å; Q989-K993 VanDerWaalsContact OE1-CE 3.3Å |
| 990 | Q | 42 | Very low | 42.7 | Very low | 129 Ų | 129 | 98.4 Ų | 98.4 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -73.3 | -45.4 | -178.9 | -163.6 | 168.4 | -0.1 | 0 | 0 | 112 | E986 K987 Q988 K993 M994 | E986-Q990 PolarHBondContact O-N 3.11Å; K987-Q990 WeakPolarHBondContact O-CB 3.14Å; K987-Q990 PolarHBondContact O-N 3.21Å; Q988-Q990 PolarHBondContact O-N 3.46Å; Q990-K993 PolarHBondContact O-N 2.84Å; Q990-M994 WeakPolarHBondContact O-CB 3.39Å; Q990-M994 PolarHBondContact O-N 2.85Å |
| 991 | Y | 45.7 | Very low | 45.4 | Very low | 52 Ų | 52 | 97.6 Ų | 97.6 | 20% | 0.204 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.3 | -179.4 | -111.2 | 0 | 0 | 0 | 111.8 | L933 K987 M994 L995 N1069 | L933-Y991 HydrophobicContact CD1-CD2 3.38Å; L933-Y991 HydrophobicContact CD1-CE2 3.46Å; L933-Y991 VanDerWaalsContact CD1-CE2 3.46Å; L933-Y991 HydrophobicContact CD1-CG 4.17Å; L933-Y991 HydrophobicContact CD2-CE2 4.29Å; K987-Y991 PolarHBondContact O-N 2.8Å; Y991-M994 PolarHBondContact O-N 2.68Å; Y991-L995 PolarHBondContact O-N 3.39Å; Y991-N1069 PolarHBondContact OH-ND2 2.73Å |
| 992 | S | 51.3 | Low | 48.2 | Very low | 52 Ų | 52 | 91.5 Ų | 91.5 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 178.3 | 58.6 | 0 | 0 | 0 | 0 | 113 | Q988 Q989 M994 N996 | Q988-S992 PolarHBondContact O-N 3.44Å; Q988-S992 PolarHBondContact O-OG 3.32Å; Q989-S992 WeakPolarHBondContact CA-OG 3.49Å; Q989-S992 PolarHBondContact O-OG 3.08Å; S992-M994 VanDerWaalsContact C-N 3.29Å; S992-M994 PolarHBondContact O-N 3.02Å; S992-N996 VanDerWaalsContact O-CB 3.25Å; S992-N996 WeakPolarHBondContact O-CB 3.33Å; S992-N996 PolarHBondContact O-N 3.32Å; S992-N996 PolarHBondContact O-ND2 3.34Å |
| 993 | K | 50.5 | Low | 51.3 | Low | 127 Ų | 127 | 87.3 Ų | 87.3 | 55% | 0.552 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -68 | -25.9 | 167.9 | -77.1 | 166.4 | -168.9 | 165.3 | 0 | 112.6 | Q989 Q990 N996 S997 | Q989-K993 HydrophobicContact CB-CD 4.45Å; Q989-K993 WeakPolarHBondContact O-CB 3.39Å; Q989-K993 VanDerWaalsContact O-CD 3.3Å; Q989-K993 WeakPolarHBondContact O-CD 3.18Å; Q989-K993 WeakPolarHBondContact O-CG 3.26Å; Q989-K993 PolarHBondContact O-N 3.21Å; Q989-K993 VanDerWaalsContact OE1-CE 3.3Å; Q990-K993 PolarHBondContact O-N 2.84Å; K993-N996 CarbonylContact O-C 3.41Å; K993-S997 VanDerWaalsContact O-CA 3.24Å; K993-S997 WeakPolarHBondContact O-CA 3.27Å; K993-S997 VanDerWaalsContact O-CB 3.24Å; K993-S997 WeakPolarHBondContact O-CB 3.35Å; K993-S997 PolarHBondContact O-N 2.63Å |
| 994 | M | 50.1 | Low | 54.1 | Low | 44 Ų | 44 | 82.4 Ų | 82.4 | 22% | 0.217 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -79.9 | -39.5 | 177.2 | -150.7 | 173.6 | 87.8 | 0 | 0 | 111.8 | Y925 S929 I932 Q990 Y991 S992 S997 | Y925-M994 HydrophobicContact CE2-CE 4.16Å; Y925-M994 HydrophobicContact CE2-CG 4.21Å; Y925-M994 PolarHBondContact OH-O 3.48Å; Y925-M994 VanDerWaalsContact OH-O 3.09Å; S929-M994 WeakPolarHBondContact OG-CE 3.29Å; I932-M994 HydrophobicContact CD1-CE 4.03Å; I932-M994 HydrophobicContact CD1-SD 3.63Å; Q990-M994 WeakPolarHBondContact O-CB 3.39Å; Q990-M994 PolarHBondContact O-N 2.85Å; Y991-M994 PolarHBondContact O-N 2.68Å; S992-M994 VanDerWaalsContact C-N 3.29Å; S992-M994 PolarHBondContact O-N 3.02Å; M994-S997 WeakPolarHBondContact O-CB 3.26Å; M994-S997 PolarHBondContact O-N 3.38Å; M994-S997 PolarHBondContact O-OG 3.14Å |
| 995 | L | 54.9 | Low | 56.9 | Low | 39 Ų | 39 | 79 Ų | 79 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 170.2 | -133.8 | 80.4 | 0 | 0 | 0 | 111.7 | Y925 Y991 N1069 | Y925-L995 WeakPolarHBondContact OH-CA 3.49Å; Y991-L995 PolarHBondContact O-N 3.39Å; L995-N1069 HydrophobicContact CD2-CB 4.42Å |
| 996 | N | 49.9 | Very low | 59.7 | Low | 134 Ų | 134 | 74.4 Ų | 74.4 | 72% | 0.717 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | 12.3 | 175.4 | -65.3 | -59.9 | 0 | 0 | 0 | 114.1 | S992 K993 | S992-N996 VanDerWaalsContact O-CB 3.25Å; S992-N996 WeakPolarHBondContact O-CB 3.33Å; S992-N996 PolarHBondContact O-N 3.32Å; S992-N996 PolarHBondContact O-ND2 3.34Å; K993-N996 CarbonylContact O-C 3.41Å |
| 997 | S | 49.8 | Very low | 62.2 | Low | 57 Ų | 57 | 68.3 Ų | 68.3 | 40% | 0.399 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -67.7 | 143.5 | -178.3 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | K993 M994 H999 | K993-S997 VanDerWaalsContact O-CA 3.24Å; K993-S997 WeakPolarHBondContact O-CA 3.27Å; K993-S997 VanDerWaalsContact O-CB 3.24Å; K993-S997 WeakPolarHBondContact O-CB 3.35Å; K993-S997 PolarHBondContact O-N 2.63Å; M994-S997 WeakPolarHBondContact O-CB 3.26Å; M994-S997 PolarHBondContact O-N 3.38Å; M994-S997 PolarHBondContact O-OG 3.14Å; S997-H999 PolarHBondContact O-N 3.46Å |
| 998 | K | 46.3 | Very low | 64.6 | Low | 144 Ų | 144 | 66.8 Ų | 66.8 | 63% | 0.626 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -60.4 | 102.1 | -172.1 | -85.8 | -175.1 | 170.5 | -178.7 | 0 | 111.3 | Q508 | Q508-K998 VanDerWaalsContact OE1-NZ 3.09Š|
| 999 | H | 52.3 | Low | 67.1 | Low | 140 Ų | 140 | 61.4 Ų | 61.4 | 65% | 0.648 | 30% | 0.303 | S | S | * | . | trans | 75 | 88.4 | 170.9 | -42.8 | -65.2 | 0 | 0 | 0 | 115.8 | S997 I1001 K1004 | S997-H999 PolarHBondContact O-N 3.46Å; H999-I1001 PolarHBondContact O-N 2.83Å; H999-I1001 VanDerWaalsContact O-N 3.14Å; H999-K1004 HydrophobicContact CB-CB 4.47Å | ||
| 1000 | N | 72.7 | Confident | 69.6 | Low | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.139 | 28% | 0.281 | C | S | . | . | trans | -50.5 | 118.4 | 145.2 | 175.6 | -73.7 | 0 | 0 | 0 | 108.3 | T1002 L1003 K1004 W1070 | N1000-T1002 VanDerWaalsContact C-N 3.26Å; N1000-T1002 PolarHBondContact O-N 3.49Å; N1000-T1002 VanDerWaalsContact OD1-CB 3.23Å; N1000-T1002 WeakPolarHBondContact OD1-CB 3.5Å; N1000-T1002 PolarHBondContact OD1-N 3.03Å; N1000-T1002 PolarHBondContact OD1-OG1 3.32Å; N1000-L1003 HydrophobicContact CB-CD1 4.28Å; N1000-L1003 HydrophobicContact CB-CG 4.3Å; N1000-L1003 PolarHBondContact O-N 3.35Å; N1000-L1003 VanDerWaalsContact O-N 3.13Å; N1000-L1003 PolarHBondContact OD1-N 3.48Å; N1000-K1004 PolarHBondContact O-N 3.36Å; N1000-W1070 PolarHBondContact ND2-NE1 3.03Å; N1000-W1070 VanDerWaalsContact ND2-NE1 3.17Å | ||
| 1001 | I | 79.9 | Confident | 72 | Confident | 54 Ų | 54 | 55 Ų | 55 | 28% | 0.277 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.5 | -25.3 | -165.3 | -158.6 | 168.5 | 0 | 0 | 0 | 112.6 | Q921 H999 K1004 I1005 | Q921-I1001 HydrophobicContact CB-CG2 3.43Å; Q921-I1001 VanDerWaalsContact CB-CG2 3.43Å; Q921-I1001 HydrophobicContact CG-CG2 4.03Å; H999-I1001 PolarHBondContact O-N 2.83Å; H999-I1001 VanDerWaalsContact O-N 3.14Å; I1001-K1004 WeakPolarHBondContact O-CB 3.44Å; I1001-K1004 PolarHBondContact O-N 3.38Å; I1001-I1005 HydrophobicContact CG1-CD1 4.19Å; I1001-I1005 WeakPolarHBondContact O-CG1 3.32Å; I1001-I1005 PolarHBondContact O-N 3.15Å |
| 1002 | T | 87.2 | Confident | 74.2 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.5 | -50 | 171 | -35.2 | 0 | 0 | 0 | 0 | 110.6 | A918 L922 N1000 K1004 I1005 L1006 L1034 | A918-T1002 HydrophobicContact CB-CG2 4.01Å; A918-T1002 PolarHBondContact O-OG1 3.45Å; L922-T1002 HydrophobicContact CD2-CG2 4.49Å; N1000-T1002 VanDerWaalsContact C-N 3.26Å; N1000-T1002 PolarHBondContact O-N 3.49Å; N1000-T1002 VanDerWaalsContact OD1-CB 3.23Å; N1000-T1002 WeakPolarHBondContact OD1-CB 3.5Å; N1000-T1002 PolarHBondContact OD1-N 3.03Å; N1000-T1002 PolarHBondContact OD1-OG1 3.32Å; T1002-K1004 VanDerWaalsContact C-N 3.28Å; T1002-K1004 PolarHBondContact O-N 2.99Å; T1002-I1005 PolarHBondContact O-N 2.88Å; T1002-L1006 HydrophobicContact CG2-CD1 4.4Å; T1002-L1006 WeakPolarHBondContact O-CB 3.48Å; T1002-L1006 VanDerWaalsContact O-CG 3.29Å; T1002-L1006 WeakPolarHBondContact O-CG 3.49Å; T1002-L1006 PolarHBondContact O-N 3.07Å; T1002-L1034 HydrophobicContact CG2-CD1 4.09Å |
| 1003 | L | 90.4 | Very high | 76.1 | Confident | 28 Ų | 28 | 50.5 Ų | 50.5 | 15% | 0.147 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.2 | -35.3 | 176.1 | -60.8 | -177.6 | 0 | 0 | 0 | 112.1 | N1000 S1007 C1074 L1075 W1078 | N1000-L1003 HydrophobicContact CB-CD1 4.28Å; N1000-L1003 HydrophobicContact CB-CG 4.3Å; N1000-L1003 PolarHBondContact O-N 3.35Å; N1000-L1003 VanDerWaalsContact O-N 3.13Å; N1000-L1003 PolarHBondContact OD1-N 3.48Å; L1003-S1007 VanDerWaalsContact O-CB 3.26Å; L1003-S1007 WeakPolarHBondContact O-CB 3.33Å; L1003-S1007 PolarHBondContact O-N 2.86Å; L1003-S1007 PolarHBondContact O-OG 2.93Å; L1003-C1074 HydrophobicContact CD1-CB 4.45Å; L1003-L1075 HydrophobicContact CD2-CB 4.38Å; L1003-L1075 HydrophobicContact CD2-CD1 3.48Å; L1003-L1075 VanDerWaalsContact CD2-CD1 3.48Å; L1003-L1075 HydrophobicContact CD2-CG 4.5Å; L1003-W1078 HydrophobicContact CD1-CB 4.49Å; L1003-W1078 HydrophobicContact CD2-CB 4.15Å; L1003-W1078 HydrophobicContact CD2-CD2 4.09Å; L1003-W1078 HydrophobicContact CD2-CE3 4.35Å; L1003-W1078 HydrophobicContact CD2-CG 3.99Å |
| 1004 | K | 87.5 | Confident | 78.1 | Confident | 82 Ų | 82 | 48.9 Ų | 48.9 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.8 | -47.1 | 174 | -179.7 | 178.5 | 175.2 | -78.4 | 0 | 111.7 | H999 N1000 I1001 T1002 S1007 E1008 | H999-K1004 HydrophobicContact CB-CB 4.47Å; N1000-K1004 PolarHBondContact O-N 3.36Å; I1001-K1004 WeakPolarHBondContact O-CB 3.44Å; I1001-K1004 PolarHBondContact O-N 3.38Å; T1002-K1004 VanDerWaalsContact C-N 3.28Å; T1002-K1004 PolarHBondContact O-N 2.99Å; K1004-S1007 WeakPolarHBondContact O-CB 3.39Å; K1004-S1007 PolarHBondContact O-N 3.07Å; K1004-E1008 WeakPolarHBondContact CE-OE1 3.39Å; K1004-E1008 IonicContact NZ-OE1 3.22Å; K1004-E1008 PolarHBondContact NZ-OE1 3.12Å; K1004-E1008 WeakPolarHBondContact O-CG 3.3Å; K1004-E1008 PolarHBondContact O-N 3.12Å |
| 1005 | I | 89.1 | Confident | 79.9 | Confident | 2 Ų | 2 | 50.3 Ų | 50.3 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.4 | -44.1 | 179.7 | -71.2 | 164.8 | 0 | 0 | 0 | 110.9 | R913 I917 A918 I1001 T1002 S1007 E1008 I1009 | R913-I1005 HydrophobicContact CG-CG2 4.43Å; I917-I1005 HydrophobicContact CB-CD1 3.96Å; I917-I1005 HydrophobicContact CG2-CD1 3.7Å; A918-I1005 HydrophobicContact CB-CB 4.46Å; A918-I1005 HydrophobicContact CB-CD1 3.74Å; A918-I1005 HydrophobicContact CB-CG2 4.4Å; I1001-I1005 HydrophobicContact CG1-CD1 4.19Å; I1001-I1005 WeakPolarHBondContact O-CG1 3.32Å; I1001-I1005 PolarHBondContact O-N 3.15Å; T1002-I1005 PolarHBondContact O-N 2.88Å; I1005-S1007 VanDerWaalsContact C-N 3.32Å; I1005-S1007 PolarHBondContact O-N 3.43Å; I1005-E1008 PolarHBondContact O-N 3.12Å; I1005-I1009 HydrophobicContact CG2-CD1 3.93Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.41Å; I1005-I1009 PolarHBondContact O-N 2.91Å |
| 1006 | L | 93.3 | Very high | 81.4 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 173.7 | -66.8 | 176.9 | 0 | 0 | 0 | 111.6 | L914 T1002 I1009 L1010 F1027 L1030 L1075 W1078 | L914-L1006 HydrophobicContact CD1-CD2 4.08Å; T1002-L1006 HydrophobicContact CG2-CD1 4.4Å; T1002-L1006 WeakPolarHBondContact O-CB 3.48Å; T1002-L1006 VanDerWaalsContact O-CG 3.29Å; T1002-L1006 WeakPolarHBondContact O-CG 3.49Å; T1002-L1006 PolarHBondContact O-N 3.07Å; L1006-I1009 PolarHBondContact O-N 3.23Å; L1006-L1010 WeakPolarHBondContact O-CB 3.43Å; L1006-L1010 PolarHBondContact O-N 2.95Å; L1006-F1027 HydrophobicContact CB-CE1 4.12Å; L1006-F1027 HydrophobicContact CB-CZ 4.46Å; L1006-F1027 HydrophobicContact CD2-CE1 3.87Å; L1006-F1027 HydrophobicContact CG-CE1 4.42Å; L1006-L1030 HydrophobicContact CD2-CB 4.49Å; L1006-L1030 HydrophobicContact CD2-CD1 4.23Å; L1006-L1075 HydrophobicContact CD1-CD1 4.23Å; L1006-W1078 HydrophobicContact CB-CH2 3.73Å; L1006-W1078 HydrophobicContact CB-CZ2 3.9Å; L1006-W1078 HydrophobicContact CB-CZ3 4.37Å; L1006-W1078 HydrophobicContact CD1-CZ3 4.34Å |
| 1007 | S | 92 | Very high | 83.3 | Confident | 29 Ų | 29 | 50 Ų | 50 | 20% | 0.203 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -39.2 | 173.7 | -58.9 | 0 | 0 | 0 | 0 | 112.7 | L1003 K1004 I1005 L1010 N1011 W1078 | L1003-S1007 VanDerWaalsContact O-CB 3.26Å; L1003-S1007 WeakPolarHBondContact O-CB 3.33Å; L1003-S1007 PolarHBondContact O-N 2.86Å; L1003-S1007 PolarHBondContact O-OG 2.93Å; K1004-S1007 WeakPolarHBondContact O-CB 3.39Å; K1004-S1007 PolarHBondContact O-N 3.07Å; I1005-S1007 VanDerWaalsContact C-N 3.32Å; I1005-S1007 PolarHBondContact O-N 3.43Å; S1007-L1010 PolarHBondContact O-N 2.84Å; S1007-N1011 VanDerWaalsContact O-CB 3.26Å; S1007-N1011 WeakPolarHBondContact O-CB 3.33Å; S1007-N1011 PolarHBondContact O-N 3.25Å; S1007-N1011 PolarHBondContact O-ND2 2.94Å; S1007-W1078 PolarHBondContact OG-NE1 2.92Å |
| 1008 | E | 90.7 | Very high | 85.4 | Confident | 42 Ų | 42 | 47.6 Ų | 47.6 | 20% | 0.196 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.5 | -44.4 | 175.5 | -78 | 172.1 | -170.1 | 0 | 0 | 111.7 | R913 K1004 I1005 N1011 C1012 | R913-E1008 IonicContact CZ-OE2 3.44Å; R913-E1008 VanDerWaalsContact CZ-OE2 3.31Å; R913-E1008 IonicContact NH1-OE2 2.79Å; R913-E1008 PolarHBondContact NH1-OE2 3.38Å; R913-E1008 IonicContact NH2-OE2 3.24Å; R913-E1008 PolarHBondContact NH2-OE2 3.25Å; K1004-E1008 WeakPolarHBondContact CE-OE1 3.39Å; K1004-E1008 IonicContact NZ-OE1 3.22Å; K1004-E1008 PolarHBondContact NZ-OE1 3.12Å; K1004-E1008 WeakPolarHBondContact O-CG 3.3Å; K1004-E1008 PolarHBondContact O-N 3.12Å; I1005-E1008 PolarHBondContact O-N 3.12Å; E1008-N1011 PolarHBondContact O-N 3.12Å; E1008-C1012 PolarHBondContact O-N 3.4Å; E1008-C1012 PolarHBondContact O-SG 3.2Å |
| 1009 | I | 93.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.9 | -48.4 | 175.5 | -68.3 | 163 | 0 | 0 | 0 | 110.2 | I827 C910 I1005 L1006 N1011 C1012 L1013 L1026 F1027 L1030 | I827-I1009 HydrophobicContact CD1-CG1 4.4Å; C910-I1009 HydrophobicContact CB-CD1 4.04Å; I1005-I1009 HydrophobicContact CG2-CD1 3.93Å; I1005-I1009 WeakPolarHBondContact O-CG1 3.41Å; I1005-I1009 PolarHBondContact O-N 2.91Å; L1006-I1009 PolarHBondContact O-N 3.23Å; I1009-N1011 VanDerWaalsContact C-N 3.34Å; I1009-N1011 PolarHBondContact O-N 3.29Å; I1009-C1012 WeakPolarHBondContact O-CB 3.41Å; I1009-C1012 PolarHBondContact O-N 2.94Å; I1009-C1012 VanDerWaalsContact O-N 3.13Å; I1009-L1013 HydrophobicContact CG2-CD1 4.25Å; I1009-L1013 WeakPolarHBondContact O-CG 3.48Å; I1009-L1013 PolarHBondContact O-N 3.21Å; I1009-L1026 HydrophobicContact CG2-CD2 4.16Å; I1009-F1027 HydrophobicContact CG2-CE2 4.5Å; I1009-L1030 HydrophobicContact CD1-CD1 4.32Å; I1009-L1030 HydrophobicContact CG2-CD1 4.43Å |
| 1010 | L | 93.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 178.7 | -172.9 | 63.7 | 0 | 0 | 0 | 112.6 | L1006 S1007 C1012 L1013 H1014 I1023 F1027 W1078 H1082 | L1006-L1010 WeakPolarHBondContact O-CB 3.43Å; L1006-L1010 PolarHBondContact O-N 2.95Å; S1007-L1010 PolarHBondContact O-N 2.84Å; L1010-C1012 VanDerWaalsContact C-N 3.34Å; L1010-L1013 HydrophobicContact CD1-CD1 4.41Å; L1010-L1013 WeakPolarHBondContact O-CB 3.41Å; L1010-L1013 PolarHBondContact O-N 3.17Å; L1010-H1014 PolarHBondContact O-N 2.58Å; L1010-I1023 HydrophobicContact CD1-CG2 3.59Å; L1010-F1027 HydrophobicContact CB-CE2 4.13Å; L1010-F1027 HydrophobicContact CB-CZ 3.99Å; L1010-F1027 HydrophobicContact CD1-CE2 3.86Å; L1010-F1027 HydrophobicContact CD1-CZ 4.39Å; L1010-W1078 HydrophobicContact CD2-CZ2 4.41Å; L1010-H1082 HydrophobicContact CD2-CB 3.67Å; L1010-H1082 WeakPolarHBondContact CD2-ND1 3.48Å |
| 1011 | N | 91.6 | Very high | 89.7 | Confident | 96 Ų | 96 | 41.1 Ų | 41.1 | 51% | 0.513 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.8 | -34 | 175 | -75 | -37.7 | 0 | 0 | 0 | 112.3 | S1007 E1008 I1009 S1015 | S1007-N1011 VanDerWaalsContact O-CB 3.26Å; S1007-N1011 WeakPolarHBondContact O-CB 3.33Å; S1007-N1011 PolarHBondContact O-N 3.25Å; S1007-N1011 PolarHBondContact O-ND2 2.94Å; E1008-N1011 PolarHBondContact O-N 3.12Å; I1009-N1011 VanDerWaalsContact C-N 3.34Å; I1009-N1011 PolarHBondContact O-N 3.29Å; N1011-S1015 WeakPolarHBondContact O-CB 3.39Å; N1011-S1015 PolarHBondContact O-N 3.06Å; N1011-S1015 PolarHBondContact O-OG 3.46Å |
| 1012 | C | 91.2 | Very high | 90.4 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.054 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -51.2 | 171 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | I827 K828 E1008 I1009 L1010 H1014 S1015 A1016 | I827-C1012 HydrophobicContact CG2-CB 4.16Å; K828-C1012 HydrophobicContact CG-CB 4.41Å; E1008-C1012 PolarHBondContact O-N 3.4Å; E1008-C1012 PolarHBondContact O-SG 3.2Å; I1009-C1012 WeakPolarHBondContact O-CB 3.41Å; I1009-C1012 PolarHBondContact O-N 2.94Å; I1009-C1012 VanDerWaalsContact O-N 3.13Å; L1010-C1012 VanDerWaalsContact C-N 3.34Å; C1012-H1014 PolarHBondContact O-N 2.81Å; C1012-S1015 PolarHBondContact O-N 3.33Å; C1012-S1015 PolarHBondContact O-OG 3.24Å; C1012-A1016 PolarHBondContact O-N 3.03Å; C1012-A1016 VanDerWaalsContact O-N 3.08Å |
| 1013 | L | 93 | Very high | 90.7 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -54.3 | -48.6 | 177.2 | -64.8 | 164 | 0 | 0 | 0 | 112.2 | T831 L906 I1009 L1010 A1016 Y1017 V1018 I1023 L1026 F1027 | T831-L1013 HydrophobicContact CG2-CD2 4.08Å; L906-L1013 HydrophobicContact CD2-CD2 4.01Å; I1009-L1013 HydrophobicContact CG2-CD1 4.25Å; I1009-L1013 WeakPolarHBondContact O-CG 3.48Å; I1009-L1013 PolarHBondContact O-N 3.21Å; L1010-L1013 HydrophobicContact CD1-CD1 4.41Å; L1010-L1013 WeakPolarHBondContact O-CB 3.41Å; L1010-L1013 PolarHBondContact O-N 3.17Å; L1013-A1016 PolarHBondContact O-N 3.44Å; L1013-Y1017 PolarHBondContact O-N 2.66Å; L1013-V1018 HydrophobicContact CB-CB 4.49Å; L1013-V1018 HydrophobicContact CD2-CB 4.26Å; L1013-V1018 HydrophobicContact CD2-CG1 4.18Å; L1013-V1018 HydrophobicContact CD2-CG2 4.13Å; L1013-V1018 PolarHBondContact O-N 3.29Å; L1013-V1018 VanDerWaalsContact O-N 3.1Å; L1013-I1023 HydrophobicContact CB-CD1 3.93Å; L1013-I1023 HydrophobicContact CB-CG1 4.02Å; L1013-I1023 HydrophobicContact CD1-CB 4.31Å; L1013-I1023 HydrophobicContact CD1-CG1 4.06Å; L1013-I1023 HydrophobicContact CD1-CG2 3.92Å; L1013-I1023 HydrophobicContact CD2-CG1 4.42Å; L1013-I1023 HydrophobicContact CG-CG1 4.4Å; L1013-L1026 HydrophobicContact CD1-CD2 3.96Å; L1013-L1026 HydrophobicContact CD2-CD2 3.97Å; L1013-L1026 HydrophobicContact CG-CD2 4.44Å; L1013-F1027 HydrophobicContact CD1-CD2 4.45Å; L1013-F1027 HydrophobicContact CD1-CE2 3.98Å |
| 1014 | H | 91.7 | Very high | 90.7 | Very high | 94 Ų | 94 | 42 Ų | 42 | 44% | 0.435 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 178 | -68.1 | 161.6 | 0 | 0 | 0 | 112.7 | L1010 C1012 A1016 Y1017 | L1010-H1014 PolarHBondContact O-N 2.58Å; C1012-H1014 PolarHBondContact O-N 2.81Å; H1014-A1016 PolarHBondContact O-N 3.22Å; H1014-Y1017 PolarHBondContact O-N 3.12Å |
| 1015 | S | 87 | Confident | 90.8 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 51% | 0.51 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64.1 | -28.6 | 180 | 71.9 | 0 | 0 | 0 | 0 | 113.4 | P696 N1011 C1012 Y1017 | P696-S1015 WeakPolarHBondContact CG-O 3.24Å; N1011-S1015 WeakPolarHBondContact O-CB 3.39Å; N1011-S1015 PolarHBondContact O-N 3.06Å; N1011-S1015 PolarHBondContact O-OG 3.46Å; C1012-S1015 PolarHBondContact O-N 3.33Å; C1012-S1015 PolarHBondContact O-OG 3.24Å; S1015-Y1017 WeakPolarHBondContact O-CD2 3.25Å |
| 1016 | A | 88.2 | Confident | 91.1 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -6.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.9 | T831 A835 C1012 L1013 H1014 V1018 | T831-A1016 HydrophobicContact CG2-CB 3.58Å; A835-A1016 HydrophobicContact CB-CB 4.28Å; A835-A1016 VanDerWaalsContact CB-O 3.3Å; A835-A1016 WeakPolarHBondContact CB-O 3.44Å; C1012-A1016 PolarHBondContact O-N 3.03Å; C1012-A1016 VanDerWaalsContact O-N 3.08Å; L1013-A1016 PolarHBondContact O-N 3.44Å; H1014-A1016 PolarHBondContact O-N 3.22Å; A1016-V1018 HydrophobicContact CB-CG2 4.21Å |
| 1017 | Y | 89.9 | Confident | 91.1 | Very high | 161 Ų | 161 | 39.2 Ų | 39.2 | 63% | 0.631 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 42.5 | -175.1 | -59.6 | -104.6 | 0 | 0 | 0 | 113.3 | P696 L1013 H1014 S1015 | P696-Y1017 HydrophobicContact CB-CD2 4.46Å; P696-Y1017 HydrophobicContact CG-CD2 3.5Å; P696-Y1017 VanDerWaalsContact CG-CD2 3.5Å; P696-Y1017 HydrophobicContact CG-CE2 3.66Å; L1013-Y1017 PolarHBondContact O-N 2.66Å; H1014-Y1017 PolarHBondContact O-N 3.12Å; S1015-Y1017 WeakPolarHBondContact O-CD2 3.25Å |
| 1018 | V | 92 | Very high | 91.1 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | trans | -63.8 | 140.4 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 110.7 | T831 L834 A835 L1013 A1016 F1022 I1023 | T831-V1018 HydrophobicContact CG2-CG2 3.5Å; L834-V1018 HydrophobicContact CD2-CG1 4.31Å; A835-V1018 HydrophobicContact CB-CG2 3.96Å; L1013-V1018 HydrophobicContact CB-CB 4.49Å; L1013-V1018 HydrophobicContact CD2-CB 4.26Å; L1013-V1018 HydrophobicContact CD2-CG1 4.18Å; L1013-V1018 HydrophobicContact CD2-CG2 4.13Å; L1013-V1018 PolarHBondContact O-N 3.29Å; L1013-V1018 VanDerWaalsContact O-N 3.1Å; A1016-V1018 HydrophobicContact CB-CG2 4.21Å; V1018-F1022 HydrophobicContact CG1-CB 3.79Å; V1018-F1022 HydrophobicContact CG1-CD2 4.18Å; V1018-F1022 HydrophobicContact CG1-CG 4.47Å; V1018-I1023 HydrophobicContact CG1-CG1 4.25Å | ||
| 1019 | N | 88.3 | Confident | 91 | Very high | 60 Ų | 60 | 37.9 Ų | 37.9 | 32% | 0.321 | 20% | 0.203 | S | C | . | . | trans | -56.4 | 126.9 | 174.7 | 179.1 | -21 | 0 | 0 | 0 | 110.5 | A1021 F1022 I1023 | N1019-A1021 PolarHBondContact O-N 3.38Å; N1019-A1021 WeakPolarHBondContact OD1-CB 3.23Å; N1019-A1021 PolarHBondContact OD1-N 2.91Å; N1019-F1022 HydrophobicContact CB-CD2 3.96Å; N1019-F1022 HydrophobicContact CB-CE2 4.32Å; N1019-F1022 PolarHBondContact O-N 3.23Å; N1019-I1023 PolarHBondContact O-N 2.94Å | ||
| 1020 | P | 88.3 | Confident | 91.1 | Very high | 89 Ų | 89 | 37.9 Ų | 37.9 | 58% | 0.578 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -50.8 | -26 | 179.2 | -30.7 | 36.7 | 0 | 0 | 0 | 115.9 | F1022 I1023 V1024 | P1020-F1022 PolarHBondContact O-N 3.48Å; P1020-I1023 WeakPolarHBondContact O-CB 3.32Å; P1020-I1023 PolarHBondContact O-N 2.63Å; P1020-I1023 VanDerWaalsContact O-N 3.15Å; P1020-V1024 PolarHBondContact O-N 2.9Å |
| 1021 | A | 86.7 | Confident | 91.1 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 20% | 0.198 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -45.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | N1019 I1023 V1024 Q1025 P1236 | N1019-A1021 PolarHBondContact O-N 3.38Å; N1019-A1021 WeakPolarHBondContact OD1-CB 3.23Å; N1019-A1021 PolarHBondContact OD1-N 2.91Å; A1021-I1023 VanDerWaalsContact C-N 3.31Å; A1021-I1023 PolarHBondContact O-N 3.25Å; A1021-V1024 PolarHBondContact O-N 3.26Å; A1021-Q1025 WeakPolarHBondContact O-CG 3.31Å; A1021-Q1025 PolarHBondContact O-N 2.7Å; A1021-P1236 HydrophobicContact CB-CG 3.69Å |
| 1022 | F | 93.3 | Very high | 91.2 | Very high | 14 Ų | 14 | 34.1 Ų | 34.1 | 6% | 0.061 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -30.3 | 175.1 | -63 | -58.1 | 0 | 0 | 0 | 112 | L834 V899 F903 V1018 N1019 P1020 Q1025 L1026 L1235 | L834-F1022 HydrophobicContact CD1-CD2 4.48Å; L834-F1022 HydrophobicContact CD1-CE2 4.41Å; L834-F1022 HydrophobicContact CD2-CB 4.4Å; L834-F1022 HydrophobicContact CD2-CG 4.43Å; V899-F1022 HydrophobicContact CG1-CE1 4.31Å; V899-F1022 HydrophobicContact CG1-CE2 4.38Å; V899-F1022 HydrophobicContact CG1-CZ 3.66Å; F903-F1022 HydrophobicContact CD2-CB 4.11Å; F903-F1022 AromaticContact CD2-CD1 3.69Å; F903-F1022 HydrophobicContact CD2-CD1 3.69Å; F903-F1022 HydrophobicContact CD2-CG 4.22Å; F903-F1022 HydrophobicContact CE2-CB 4.08Å; F903-F1022 HydrophobicContact CE2-CD1 4.11Å; F903-F1022 HydrophobicContact CG-CD1 4.47Å; V1018-F1022 HydrophobicContact CG1-CB 3.79Å; V1018-F1022 HydrophobicContact CG1-CD2 4.18Å; V1018-F1022 HydrophobicContact CG1-CG 4.47Å; N1019-F1022 HydrophobicContact CB-CD2 3.96Å; N1019-F1022 HydrophobicContact CB-CE2 4.32Å; N1019-F1022 PolarHBondContact O-N 3.23Å; P1020-F1022 PolarHBondContact O-N 3.48Å; F1022-Q1025 PolarHBondContact O-N 2.79Å; F1022-L1026 WeakPolarHBondContact O-CB 3.48Å; F1022-L1026 PolarHBondContact O-N 3.26Å; F1022-L1235 HydrophobicContact CE1-CD2 4.16Å; F1022-L1235 HydrophobicContact CZ-CD2 4.08Å |
| 1023 | I | 94 | Very high | 91.2 | Very high | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.4 | -49.7 | 175.2 | -56.5 | -175.1 | 0 | 0 | 0 | 109.8 | L1010 L1013 V1018 N1019 P1020 A1021 Q1025 L1026 F1027 | L1010-I1023 HydrophobicContact CD1-CG2 3.59Å; L1013-I1023 HydrophobicContact CB-CD1 3.93Å; L1013-I1023 HydrophobicContact CB-CG1 4.02Å; L1013-I1023 HydrophobicContact CD1-CB 4.31Å; L1013-I1023 HydrophobicContact CD1-CG1 4.06Å; L1013-I1023 HydrophobicContact CD1-CG2 3.92Å; L1013-I1023 HydrophobicContact CD2-CG1 4.42Å; L1013-I1023 HydrophobicContact CG-CG1 4.4Å; V1018-I1023 HydrophobicContact CG1-CG1 4.25Å; N1019-I1023 PolarHBondContact O-N 2.94Å; P1020-I1023 WeakPolarHBondContact O-CB 3.32Å; P1020-I1023 PolarHBondContact O-N 2.63Å; P1020-I1023 VanDerWaalsContact O-N 3.15Å; A1021-I1023 VanDerWaalsContact C-N 3.31Å; A1021-I1023 PolarHBondContact O-N 3.25Å; I1023-Q1025 VanDerWaalsContact C-N 3.31Å; I1023-Q1025 PolarHBondContact O-N 2.87Å; I1023-L1026 PolarHBondContact O-N 3.31Å; I1023-F1027 HydrophobicContact CG2-CD2 4.07Å; I1023-F1027 HydrophobicContact CG2-CE2 4.41Å; I1023-F1027 WeakPolarHBondContact O-CB 3.03Å; I1023-F1027 WeakPolarHBondContact O-CD2 3.3Å; I1023-F1027 PolarHBondContact O-N 3.42Å |
| 1024 | V | 90.3 | Very high | 91.2 | Very high | 76 Ų | 76 | 35.6 Ų | 35.6 | 46% | 0.461 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.9 | -39.2 | 177.3 | 176 | 0 | 0 | 0 | 0 | 111.4 | P1020 A1021 A1028 L1084 | P1020-V1024 PolarHBondContact O-N 2.9Å; A1021-V1024 PolarHBondContact O-N 3.26Å; V1024-A1028 WeakPolarHBondContact O-CB 3.19Å; V1024-A1028 PolarHBondContact O-N 2.85Å; V1024-L1084 HydrophobicContact CG2-CD2 4.35Å |
| 1025 | Q | 90.5 | Very high | 91.3 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 12% | 0.121 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -67.7 | -42.4 | 177 | -73.4 | 168.2 | -0.6 | 0 | 0 | 113.2 | F903 A1021 F1022 I1023 F1027 A1028 H1029 L1234 | F903-Q1025 HydrophobicContact CE2-CB 4.02Å; F903-Q1025 HydrophobicContact CZ-CB 3.69Å; A1021-Q1025 WeakPolarHBondContact O-CG 3.31Å; A1021-Q1025 PolarHBondContact O-N 2.7Å; F1022-Q1025 PolarHBondContact O-N 2.79Å; I1023-Q1025 VanDerWaalsContact C-N 3.31Å; I1023-Q1025 PolarHBondContact O-N 2.87Å; Q1025-F1027 VanDerWaalsContact C-N 3.35Å; Q1025-A1028 WeakPolarHBondContact O-CB 3.43Å; Q1025-A1028 PolarHBondContact O-N 3.42Å; Q1025-H1029 PolarHBondContact O-N 2.89Å; Q1025-H1029 PolarHBondContact O-ND1 2.68Å; Q1025-L1234 PolarHBondContact NE2-O 3.12Å |
| 1026 | L | 94.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 176.6 | 179.5 | 56.7 | 0 | 0 | 0 | 110.4 | F903 L906 A907 C910 I1009 L1013 F1022 I1023 A1028 H1029 L1030 | F903-L1026 HydrophobicContact CE2-CB 4.15Å; F903-L1026 HydrophobicContact CZ-CB 4.29Å; L906-L1026 HydrophobicContact CD2-CD2 4.04Å; L906-L1026 HydrophobicContact CG-CD2 4.02Å; A907-L1026 HydrophobicContact CB-CD1 4.03Å; C910-L1026 HydrophobicContact CB-CD1 4.14Å; I1009-L1026 HydrophobicContact CG2-CD2 4.16Å; L1013-L1026 HydrophobicContact CD1-CD2 3.96Å; L1013-L1026 HydrophobicContact CD2-CD2 3.97Å; L1013-L1026 HydrophobicContact CG-CD2 4.44Å; F1022-L1026 WeakPolarHBondContact O-CB 3.48Å; F1022-L1026 PolarHBondContact O-N 3.26Å; I1023-L1026 PolarHBondContact O-N 3.31Å; L1026-A1028 VanDerWaalsContact C-N 3.32Å; L1026-A1028 PolarHBondContact O-N 2.79Å; L1026-H1029 PolarHBondContact O-N 3.35Å; L1026-L1030 HydrophobicContact CD1-CD1 4.31Å; L1026-L1030 HydrophobicContact CD1-CG 4.4Å; L1026-L1030 HydrophobicContact CG-CD1 4.1Å; L1026-L1030 WeakPolarHBondContact O-CG 3.24Å; L1026-L1030 PolarHBondContact O-N 2.94Å |
| 1027 | F | 94.2 | Very high | 91.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.1 | -28.8 | 175.6 | -88.1 | -88.4 | 0 | 0 | 0 | 113.6 | L1006 I1009 L1010 L1013 I1023 Q1025 L1030 L1031 W1078 L1084 | L1006-F1027 HydrophobicContact CB-CE1 4.12Å; L1006-F1027 HydrophobicContact CB-CZ 4.46Å; L1006-F1027 HydrophobicContact CD2-CE1 3.87Å; L1006-F1027 HydrophobicContact CG-CE1 4.42Å; I1009-F1027 HydrophobicContact CG2-CE2 4.5Å; L1010-F1027 HydrophobicContact CB-CE2 4.13Å; L1010-F1027 HydrophobicContact CB-CZ 3.99Å; L1010-F1027 HydrophobicContact CD1-CE2 3.86Å; L1010-F1027 HydrophobicContact CD1-CZ 4.39Å; L1013-F1027 HydrophobicContact CD1-CD2 4.45Å; L1013-F1027 HydrophobicContact CD1-CE2 3.98Å; I1023-F1027 HydrophobicContact CG2-CD2 4.07Å; I1023-F1027 HydrophobicContact CG2-CE2 4.41Å; I1023-F1027 WeakPolarHBondContact O-CB 3.03Å; I1023-F1027 WeakPolarHBondContact O-CD2 3.3Å; I1023-F1027 PolarHBondContact O-N 3.42Å; Q1025-F1027 VanDerWaalsContact C-N 3.35Å; F1027-L1030 PolarHBondContact O-N 3.44Å; F1027-L1031 VanDerWaalsContact O-CB 3.23Å; F1027-L1031 WeakPolarHBondContact O-CB 3.24Å; F1027-L1031 WeakPolarHBondContact O-CD1 3.37Å; F1027-L1031 WeakPolarHBondContact O-CG 3.19Å; F1027-L1031 PolarHBondContact O-N 3.39Å; F1027-W1078 AromaticContact CE1-CH2 3.67Å; F1027-W1078 HydrophobicContact CE1-CH2 3.67Å; F1027-W1078 HydrophobicContact CE1-CZ3 4.18Å; F1027-W1078 HydrophobicContact CZ-CH2 4.11Å; F1027-L1084 HydrophobicContact CB-CD1 4.31Å; F1027-L1084 HydrophobicContact CB-CD2 4.11Å; F1027-L1084 HydrophobicContact CD1-CD1 3.74Å; F1027-L1084 HydrophobicContact CD2-CD1 3.97Å; F1027-L1084 HydrophobicContact CE1-CD1 4.03Å; F1027-L1084 HydrophobicContact CE2-CD1 4.26Å; F1027-L1084 HydrophobicContact CG-CD1 3.7Å; F1027-L1084 HydrophobicContact CG-CD2 4.33Å; F1027-L1084 HydrophobicContact CZ-CD1 4.29Å |
| 1028 | A | 90.4 | Very high | 91.6 | Very high | 2 Ų | 2 | 23.4 Ų | 23.4 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112 | V1024 Q1025 L1026 H1032 Y1091 L1229 L1231 | V1024-A1028 WeakPolarHBondContact O-CB 3.19Å; V1024-A1028 PolarHBondContact O-N 2.85Å; Q1025-A1028 WeakPolarHBondContact O-CB 3.43Å; Q1025-A1028 PolarHBondContact O-N 3.42Å; L1026-A1028 VanDerWaalsContact C-N 3.32Å; L1026-A1028 PolarHBondContact O-N 2.79Å; A1028-H1032 VanDerWaalsContact O-CB 3.32Å; A1028-H1032 WeakPolarHBondContact O-CB 3.33Å; A1028-H1032 PolarHBondContact O-N 3.36Å; A1028-Y1091 HydrophobicContact CB-CD2 3.97Å; A1028-Y1091 HydrophobicContact CB-CE1 4.07Å; A1028-Y1091 HydrophobicContact CB-CE2 3.35Å; A1028-Y1091 VanDerWaalsContact CB-CZ 3.41Å; A1028-L1229 HydrophobicContact CB-CD2 4.08Å; A1028-L1231 HydrophobicContact CB-CD1 3.86Å |
| 1029 | H | 90.4 | Very high | 91.6 | Very high | 41 Ų | 41 | 23 Ų | 23 | 19% | 0.19 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62 | -44.8 | 177.1 | -67.4 | 83.1 | 0 | 0 | 0 | 111.6 | Q1025 L1026 H1032 R1033 | Q1025-H1029 PolarHBondContact O-N 2.89Å; Q1025-H1029 PolarHBondContact O-ND1 2.68Å; L1026-H1029 PolarHBondContact O-N 3.35Å; H1029-H1032 PolarHBondContact O-N 2.8Å; H1029-R1033 WeakPolarHBondContact O-CB 3.42Å; H1029-R1033 PolarHBondContact O-N 3.41Å |
| 1030 | L | 94.5 | Very high | 91.8 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.1 | -43 | 180 | -65.5 | 172.7 | 0 | 0 | 0 | 112.7 | C910 V911 L914 L1006 I1009 L1026 F1027 R1033 L1034 | C910-L1030 HydrophobicContact CB-CD1 4.08Å; C910-L1030 HydrophobicContact CB-CD2 3.74Å; C910-L1030 HydrophobicContact CB-CG 4.39Å; V911-L1030 HydrophobicContact CG2-CD2 3.96Å; L914-L1030 HydrophobicContact CB-CD2 4.37Å; L914-L1030 HydrophobicContact CD2-CB 4.49Å; L914-L1030 HydrophobicContact CD2-CD2 4.2Å; L914-L1030 WeakPolarHBondContact CD2-O 3.5Å; L1006-L1030 HydrophobicContact CD2-CB 4.49Å; L1006-L1030 HydrophobicContact CD2-CD1 4.23Å; I1009-L1030 HydrophobicContact CD1-CD1 4.32Å; I1009-L1030 HydrophobicContact CG2-CD1 4.43Å; L1026-L1030 HydrophobicContact CD1-CD1 4.31Å; L1026-L1030 HydrophobicContact CD1-CG 4.4Å; L1026-L1030 HydrophobicContact CG-CD1 4.1Å; L1026-L1030 WeakPolarHBondContact O-CG 3.24Å; L1026-L1030 PolarHBondContact O-N 2.94Å; F1027-L1030 PolarHBondContact O-N 3.44Å; L1030-R1033 PolarHBondContact O-N 3.44Å; L1030-L1034 VanDerWaalsContact O-CB 3.24Å; L1030-L1034 WeakPolarHBondContact O-CB 3.41Å; L1030-L1034 PolarHBondContact O-N 3.13Å |
| 1031 | L | 94 | Very high | 91.8 | Very high | 2 Ų | 2 | 18.2 Ų | 18.2 | 1% | 0.01 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 177.8 | -69.8 | 165.8 | 0 | 0 | 0 | 111.7 | F1027 L1034 N1035 A1087 Y1091 L1092 | F1027-L1031 VanDerWaalsContact O-CB 3.23Å; F1027-L1031 WeakPolarHBondContact O-CB 3.24Å; F1027-L1031 WeakPolarHBondContact O-CD1 3.37Å; F1027-L1031 WeakPolarHBondContact O-CG 3.19Å; F1027-L1031 PolarHBondContact O-N 3.39Å; L1031-L1034 HydrophobicContact CD2-CD2 4.19Å; L1031-L1034 WeakPolarHBondContact O-CB 3.35Å; L1031-L1034 PolarHBondContact O-N 3.18Å; L1031-N1035 WeakPolarHBondContact O-CB 3.24Å; L1031-N1035 PolarHBondContact O-N 3.2Å; L1031-A1087 HydrophobicContact CD1-CB 3.99Å; L1031-Y1091 HydrophobicContact CB-CG 4.49Å; L1031-L1092 HydrophobicContact CB-CD2 4.2Å; L1031-L1092 HydrophobicContact CD2-CD1 4.33Å; L1031-L1092 HydrophobicContact CD2-CD2 4.2Å; L1031-L1092 HydrophobicContact CD2-CG 4.33Å; L1031-L1092 WeakPolarHBondContact O-CD2 3.45Å |
| 1032 | H | 92.4 | Very high | 91.8 | Very high | 17 Ų | 17 | 17.2 Ų | 17.2 | 8% | 0.079 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -65.7 | -44.5 | 173.5 | 178.6 | 76.8 | 0 | 0 | 0 | 112.2 | A1028 H1029 L1034 N1035 A1036 Y1091 E1225 S1226 L1229 | A1028-H1032 VanDerWaalsContact O-CB 3.32Å; A1028-H1032 WeakPolarHBondContact O-CB 3.33Å; A1028-H1032 PolarHBondContact O-N 3.36Å; H1029-H1032 PolarHBondContact O-N 2.8Å; H1032-L1034 VanDerWaalsContact C-N 3.3Å; H1032-L1034 PolarHBondContact O-N 2.96Å; H1032-N1035 WeakPolarHBondContact O-CB 3.03Å; H1032-N1035 PolarHBondContact O-N 3.37Å; H1032-A1036 WeakPolarHBondContact O-CB 3.3Å; H1032-A1036 PolarHBondContact O-N 2.93Å; H1032-Y1091 HydrophobicContact CB-CD1 4.32Å; H1032-E1225 IonicContact CE1-OE1 2.65Å; H1032-S1226 PolarHBondContact NE2-O 3.09Å; H1032-L1229 HydrophobicContact CB-CB 4.18Å; H1032-L1229 HydrophobicContact CB-CD1 4.26Å; H1032-L1229 HydrophobicContact CB-CD2 3.91Å; H1032-L1229 HydrophobicContact CB-CG 4.34Å |
| 1033 | R | 92.8 | Very high | 91.5 | Very high | 40 Ų | 40 | 16.6 Ų | 16.6 | 15% | 0.151 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 175.6 | -168.3 | 69.9 | 161.7 | -149.4 | -4.8 | 111.5 | V911 L914 D915 H1029 L1030 A1036 R1037 L1227 D1228 | V911-R1033 HydrophobicContact CG1-CG 4.1Å; L914-R1033 HydrophobicContact CD2-CB 4.13Å; L914-R1033 HydrophobicContact CD2-CG 4.3Å; D915-R1033 IonicContact OD1-NE 2.81Å; D915-R1033 IonicContact OD2-CZ 2.81Å; D915-R1033 IonicContact OD2-NE 3.26Å; D915-R1033 PolarHBondContact OD2-NE 2.91Å; D915-R1033 IonicContact OD2-NH2 3.17Å; D915-R1033 PolarHBondContact OD2-NH2 3.28Å; H1029-R1033 WeakPolarHBondContact O-CB 3.42Å; H1029-R1033 PolarHBondContact O-N 3.41Å; L1030-R1033 PolarHBondContact O-N 3.44Å; R1033-A1036 PolarHBondContact O-N 2.75Å; R1033-R1037 HydrophobicContact CG-CG 4.49Å; R1033-R1037 VanDerWaalsContact O-CB 3.31Å; R1033-R1037 WeakPolarHBondContact O-CB 3.48Å; R1033-R1037 VanDerWaalsContact O-CG 3.31Å; R1033-R1037 WeakPolarHBondContact O-CG 3.45Å; R1033-R1037 PolarHBondContact O-N 3.15Å; R1033-L1227 VanDerWaalsContact CD-O 3.24Å; R1033-L1227 WeakPolarHBondContact CD-O 3.2Å; R1033-L1227 PolarHBondContact NH1-O 3.48Å; R1033-D1228 IonicContact NH1-OD1 3.41Å; R1033-D1228 PolarHBondContact NH1-OD1 3.17Å |
| 1034 | L | 92.7 | Very high | 90.9 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.3 | -49.9 | 174.2 | -172 | 69.1 | 0 | 0 | 0 | 111.6 | L914 I919 L922 T1002 L1030 L1031 H1032 L1038 W1070 L1075 L1092 | L914-L1034 HydrophobicContact CD2-CB 4.32Å; I919-L1034 HydrophobicContact CD1-CD1 4.41Å; I919-L1034 HydrophobicContact CG1-CD1 3.9Å; L922-L1034 HydrophobicContact CD2-CD1 4.04Å; T1002-L1034 HydrophobicContact CG2-CD1 4.09Å; L1030-L1034 VanDerWaalsContact O-CB 3.24Å; L1030-L1034 WeakPolarHBondContact O-CB 3.41Å; L1030-L1034 PolarHBondContact O-N 3.13Å; L1031-L1034 HydrophobicContact CD2-CD2 4.19Å; L1031-L1034 WeakPolarHBondContact O-CB 3.35Å; L1031-L1034 PolarHBondContact O-N 3.18Å; H1032-L1034 VanDerWaalsContact C-N 3.3Å; H1032-L1034 PolarHBondContact O-N 2.96Å; L1034-L1038 HydrophobicContact CD1-CD1 4.27Å; L1034-L1038 HydrophobicContact CG-CD1 4.12Å; L1034-L1038 VanDerWaalsContact O-CB 3.31Å; L1034-L1038 WeakPolarHBondContact O-CB 3.46Å; L1034-L1038 WeakPolarHBondContact O-CG 3.47Å; L1034-L1038 PolarHBondContact O-N 3.29Å; L1034-W1070 HydrophobicContact CD1-CH2 4.28Å; L1034-W1070 HydrophobicContact CD2-CH2 4Å; L1034-W1070 HydrophobicContact CG-CH2 4.34Å; L1034-L1075 HydrophobicContact CD2-CD2 3.88Å; L1034-L1092 HydrophobicContact CD2-CD2 4.29Å |
| 1035 | N | 93.2 | Very high | 90.4 | Very high | 2 Ų | 2 | 14.7 Ų | 14.7 | 1% | 0.011 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -57.6 | -51.9 | 175.3 | 169.8 | 86.6 | 0 | 0 | 0 | 111.8 | L1031 H1032 L1038 F1039 Y1091 L1092 I1095 | L1031-N1035 WeakPolarHBondContact O-CB 3.24Å; L1031-N1035 PolarHBondContact O-N 3.2Å; H1032-N1035 WeakPolarHBondContact O-CB 3.03Å; H1032-N1035 PolarHBondContact O-N 3.37Å; N1035-L1038 PolarHBondContact O-N 3.03Å; N1035-F1039 WeakPolarHBondContact O-CB 3.4Å; N1035-F1039 PolarHBondContact O-N 3.25Å; N1035-Y1091 WeakPolarHBondContact CB-O 3.45Å; N1035-L1092 HydrophobicContact CB-CD2 3.84Å; N1035-I1095 HydrophobicContact CB-CG2 4.28Å; N1035-I1095 WeakPolarHBondContact OD1-CB 3.07Å; N1035-I1095 WeakPolarHBondContact OD1-CG2 3.3Å; N1035-I1095 PolarHBondContact OD1-N 3.18Å |
| 1036 | A | 90.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.3 | -46.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112 | H1032 R1033 F1039 N1040 E1225 L1227 | H1032-A1036 WeakPolarHBondContact O-CB 3.3Å; H1032-A1036 PolarHBondContact O-N 2.93Å; R1033-A1036 PolarHBondContact O-N 2.75Å; A1036-F1039 PolarHBondContact O-N 2.95Å; A1036-N1040 VanDerWaalsContact O-CB 3.25Å; A1036-N1040 WeakPolarHBondContact O-CB 3.47Å; A1036-N1040 PolarHBondContact O-N 3.5Å; A1036-N1040 PolarHBondContact O-ND2 2.85Å; A1036-N1040 PolarHBondContact O-OD1 3Å; A1036-E1225 HydrophobicContact CB-CB 3.87Å; A1036-E1225 HydrophobicContact CB-CG 3.59Å; A1036-L1227 HydrophobicContact CB-CD2 3.84Å |
| 1037 | R | 90.2 | Very high | 88.2 | Confident | 74 Ų | 74 | 16.5 Ų | 16.5 | 28% | 0.279 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -62.6 | -44.4 | 176.7 | -74.2 | -77.8 | -156.1 | -173.2 | -0.3 | 112.5 | D915 I919 R1033 F1041 L1227 | D915-R1037 IonicContact OD1-CZ 2.79Å; D915-R1037 IonicContact OD1-NE 2.94Å; D915-R1037 PolarHBondContact OD1-NE 3.35Å; D915-R1037 IonicContact OD1-NH2 3.76Å; D915-R1037 IonicContact OD2-CZ 3.2Å; D915-R1037 IonicContact OD2-NE 2.89Å; D915-R1037 PolarHBondContact OD2-NE 2.56Å; D915-R1037 IonicContact OD2-NH2 2.75Å; D915-R1037 PolarHBondContact OD2-NH2 3.2Å; I919-R1037 HydrophobicContact CD1-CB 3.9Å; I919-R1037 HydrophobicContact CD1-CG 3.91Å; I919-R1037 HydrophobicContact CG2-CB 4.16Å; R1033-R1037 HydrophobicContact CG-CG 4.49Å; R1033-R1037 VanDerWaalsContact O-CB 3.31Å; R1033-R1037 WeakPolarHBondContact O-CB 3.48Å; R1033-R1037 VanDerWaalsContact O-CG 3.31Å; R1033-R1037 WeakPolarHBondContact O-CG 3.45Å; R1033-R1037 PolarHBondContact O-N 3.15Å; R1037-F1041 WeakPolarHBondContact O-CB 3.16Å; R1037-F1041 PolarHBondContact O-N 2.94Å; R1037-L1227 HydrophobicContact CG-CD2 4.08Å |
| 1038 | L | 91.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 21.2 Ų | 21.2 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 177.7 | -71.5 | 173.7 | 0 | 0 | 0 | 112 | L922 L923 L926 L1034 N1035 F1041 I1042 W1070 I1095 | L922-L1038 HydrophobicContact CD2-CD1 4.07Å; L922-L1038 HydrophobicContact CD2-CD2 3.91Å; L922-L1038 HydrophobicContact CD2-CG 4.46Å; L922-L1038 HydrophobicContact CG-CD2 4.4Å; L923-L1038 HydrophobicContact CD2-CD2 3.59Å; L923-L1038 HydrophobicContact CG-CD2 4.21Å; L926-L1038 HydrophobicContact CD1-CD2 4.4Å; L1034-L1038 HydrophobicContact CD1-CD1 4.27Å; L1034-L1038 HydrophobicContact CG-CD1 4.12Å; L1034-L1038 VanDerWaalsContact O-CB 3.31Å; L1034-L1038 WeakPolarHBondContact O-CB 3.46Å; L1034-L1038 WeakPolarHBondContact O-CG 3.47Å; L1034-L1038 PolarHBondContact O-N 3.29Å; N1035-L1038 PolarHBondContact O-N 3.03Å; L1038-F1041 PolarHBondContact O-N 2.79Å; L1038-I1042 WeakPolarHBondContact O-CD1 3.17Å; L1038-I1042 WeakPolarHBondContact O-CG1 3.31Å; L1038-I1042 PolarHBondContact O-N 3.47Å; L1038-I1042 VanDerWaalsContact O-N 3.1Å; L1038-W1070 HydrophobicContact CD1-CH2 4.2Å; L1038-W1070 HydrophobicContact CD1-CZ3 3.73Å; L1038-I1095 HydrophobicContact CB-CD1 3.88Å; L1038-I1095 HydrophobicContact CB-CG1 4.04Å; L1038-I1095 HydrophobicContact CD1-CG1 4.49Å |
| 1039 | F | 92.3 | Very high | 85.6 | Confident | 1 Ų | 1 | 24.3 Ų | 24.3 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.1 | -46.8 | -179.4 | -177.8 | -101.8 | 0 | 0 | 0 | 111.7 | N1035 A1036 F1041 I1042 I1043 R1094 I1095 A1098 L1122 Q1126 I1130 E1225 | N1035-F1039 WeakPolarHBondContact O-CB 3.4Å; N1035-F1039 PolarHBondContact O-N 3.25Å; A1036-F1039 PolarHBondContact O-N 2.95Å; F1039-F1041 VanDerWaalsContact C-N 3.34Å; F1039-F1041 PolarHBondContact O-N 3.45Å; F1039-I1042 PolarHBondContact O-N 2.85Å; F1039-I1043 HydrophobicContact CD1-CD1 4.21Å; F1039-I1043 HydrophobicContact CD2-CD1 4.37Å; F1039-I1043 HydrophobicContact CE1-CD1 3.57Å; F1039-I1043 HydrophobicContact CE2-CD1 3.76Å; F1039-I1043 HydrophobicContact CZ-CD1 3.32Å; F1039-I1043 PolarHBondContact O-N 3.26Å; F1039-R1094 HydrophobicContact CD2-CG 4.02Å; F1039-R1094 HydrophobicContact CE2-CG 3.81Å; F1039-R1094 HydrophobicContact CG-CG 4.47Å; F1039-R1094 HydrophobicContact CZ-CG 4.06Å; F1039-I1095 HydrophobicContact CB-CD1 4.25Å; F1039-A1098 HydrophobicContact CD2-CB 4.15Å; F1039-A1098 HydrophobicContact CE2-CB 4.03Å; F1039-L1122 HydrophobicContact CE2-CD2 3.56Å; F1039-L1122 HydrophobicContact CZ-CD2 3.83Å; F1039-Q1126 HydrophobicContact CE1-CG 4.02Å; F1039-Q1126 HydrophobicContact CZ-CB 4.04Å; F1039-Q1126 HydrophobicContact CZ-CG 3.75Å; F1039-I1130 HydrophobicContact CE2-CD1 4.37Å; F1039-E1225 HydrophobicContact CD1-CB 4.07Å |
| 1040 | N | 90.8 | Very high | 84.4 | Confident | 4 Ų | 4 | 27.5 Ų | 27.5 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.6 | -37.5 | 178.5 | -64.5 | -8.6 | 0 | 0 | 0 | 111.2 | A1036 G1044 Y1045 C1047 G1224 E1225 | A1036-N1040 VanDerWaalsContact O-CB 3.25Å; A1036-N1040 WeakPolarHBondContact O-CB 3.47Å; A1036-N1040 PolarHBondContact O-N 3.5Å; A1036-N1040 PolarHBondContact O-ND2 2.85Å; A1036-N1040 PolarHBondContact O-OD1 3Å; N1040-G1044 PolarHBondContact O-N 2.88Å; N1040-G1044 VanDerWaalsContact O-N 3.11Å; N1040-Y1045 HydrophobicContact CB-CD1 4.5Å; N1040-Y1045 PolarHBondContact O-N 3.36Å; N1040-C1047 PolarHBondContact ND2-SG 3.46Å; N1040-G1224 WeakPolarHBondContact OD1-CA 3.45Å; N1040-E1225 PolarHBondContact ND2-O 3.09Å; N1040-E1225 PolarHBondContact OD1-N 2.93Å |
| 1041 | F | 88.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 31.7 Ų | 31.7 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.1 | -49.3 | 173.3 | 177.4 | -89.9 | 0 | 0 | 0 | 112.6 | L923 R1037 L1038 F1039 I1043 G1044 H1058 W1063 L1587 | L923-F1041 HydrophobicContact CD1-CB 4.26Å; L923-F1041 HydrophobicContact CD1-CD1 4.43Å; L923-F1041 HydrophobicContact CD1-CD2 3.74Å; L923-F1041 HydrophobicContact CD1-CE2 4.18Å; L923-F1041 HydrophobicContact CD1-CG 3.87Å; L923-F1041 HydrophobicContact CD2-CB 4.24Å; L923-F1041 HydrophobicContact CD2-CD1 3.46Å; L923-F1041 VanDerWaalsContact CD2-CD1 3.46Å; L923-F1041 HydrophobicContact CD2-CD2 4.28Å; L923-F1041 HydrophobicContact CD2-CE1 3.82Å; L923-F1041 HydrophobicContact CD2-CG 3.72Å; L923-F1041 HydrophobicContact CD2-CZ 4.36Å; L923-F1041 HydrophobicContact CG-CG 4.42Å; R1037-F1041 WeakPolarHBondContact O-CB 3.16Å; R1037-F1041 PolarHBondContact O-N 2.94Å; L1038-F1041 PolarHBondContact O-N 2.79Å; F1039-F1041 VanDerWaalsContact C-N 3.34Å; F1039-F1041 PolarHBondContact O-N 3.45Å; F1041-I1043 VanDerWaalsContact C-N 3.31Å; F1041-I1043 PolarHBondContact O-N 3.46Å; F1041-G1044 PolarHBondContact O-N 2.84Å; F1041-H1058 AromaticContact CE1-CD2 3.61Å; F1041-H1058 AromaticContact CE1-CE1 3.91Å; F1041-H1058 AromaticContact CE1-CG 3.82Å; F1041-H1058 AromaticContact CE1-ND1 3.99Å; F1041-H1058 AromaticContact CE1-NE2 3.69Å; F1041-H1058 AromaticContact CZ-CD2 3.93Å; F1041-H1058 AromaticContact CZ-CE1 3.8Å; F1041-H1058 AromaticContact CZ-NE2 3.52Å; F1041-W1063 AromaticContact CE1-CH2 3.86Å; F1041-W1063 HydrophobicContact CE1-CH2 3.86Å; F1041-W1063 HydrophobicContact CE1-CZ2 4.35Å; F1041-W1063 HydrophobicContact CE1-CZ3 4.43Å; F1041-L1587 HydrophobicContact CE2-CD2 4.23Å |
| 1042 | I | 87.8 | Confident | 81.9 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -41.9 | -178.4 | -69.1 | 157.7 | 0 | 0 | 0 | 111.7 | L1038 F1039 G1044 H1058 I1059 L1067 I1095 M1102 | L1038-I1042 WeakPolarHBondContact O-CD1 3.17Å; L1038-I1042 WeakPolarHBondContact O-CG1 3.31Å; L1038-I1042 PolarHBondContact O-N 3.47Å; L1038-I1042 VanDerWaalsContact O-N 3.1Å; F1039-I1042 PolarHBondContact O-N 2.85Å; I1042-G1044 PolarHBondContact O-N 2.97Å; I1042-H1058 HydrophobicContact CB-CB 4.5Å; I1042-H1058 HydrophobicContact CG2-CB 4.37Å; I1042-I1059 HydrophobicContact CG2-CG1 3.73Å; I1042-I1059 WeakPolarHBondContact O-CG1 3.32Å; I1042-L1067 HydrophobicContact CD1-CD1 3.34Å; I1042-L1067 HydrophobicContact CD1-CD2 4.08Å; I1042-L1067 HydrophobicContact CD1-CG 4.36Å; I1042-L1067 HydrophobicContact CG1-CD1 4.14Å; I1042-I1095 HydrophobicContact CD1-CD1 3.35Å; I1042-M1102 HydrophobicContact CG2-CE 4.37Å; I1042-M1102 HydrophobicContact CG2-SD 4.11Å |
| 1043 | I | 86.4 | Confident | 80.8 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -74.7 | -12.6 | 179.5 | -71.4 | -178.8 | 0 | 0 | 0 | 112.3 | F1039 F1041 Y1045 L1052 I1129 I1130 V1223 | F1039-I1043 HydrophobicContact CD1-CD1 4.21Å; F1039-I1043 HydrophobicContact CD2-CD1 4.37Å; F1039-I1043 HydrophobicContact CE1-CD1 3.57Å; F1039-I1043 HydrophobicContact CE2-CD1 3.76Å; F1039-I1043 HydrophobicContact CZ-CD1 3.32Å; F1039-I1043 PolarHBondContact O-N 3.26Å; F1041-I1043 VanDerWaalsContact C-N 3.31Å; F1041-I1043 PolarHBondContact O-N 3.46Å; I1043-Y1045 VanDerWaalsContact C-N 3.31Å; I1043-L1052 HydrophobicContact CG2-CD2 3.51Å; I1043-I1129 HydrophobicContact CG2-CG2 3.92Å; I1043-I1130 HydrophobicContact CD1-CD1 4.39Å; I1043-I1130 HydrophobicContact CD1-CG1 4.19Å; I1043-I1130 HydrophobicContact CG1-CG1 4.36Å; I1043-V1223 HydrophobicContact CG2-CG1 4.2Å |
| 1044 | G | 82.2 | Confident | 78.9 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 11% | 0.113 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 27.4 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N1040 F1041 I1042 D1046 I1053 | N1040-G1044 PolarHBondContact O-N 2.88Å; N1040-G1044 VanDerWaalsContact O-N 3.11Å; F1041-G1044 PolarHBondContact O-N 2.84Å; I1042-G1044 PolarHBondContact O-N 2.97Å; G1044-D1046 PolarHBondContact O-N 3.21Å; G1044-I1053 WeakPolarHBondContact O-CB 3.46Å; G1044-I1053 PolarHBondContact O-N 3.44Å |
| 1045 | Y | 79.7 | Confident | 77 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 14% | 0.137 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 109.1 | -179.1 | -171 | -100 | 0 | 0 | 0 | 111.8 | N1040 I1043 C1047 N1050 L1052 V1223 G1224 | N1040-Y1045 HydrophobicContact CB-CD1 4.5Å; N1040-Y1045 PolarHBondContact O-N 3.36Å; I1043-Y1045 VanDerWaalsContact C-N 3.31Å; Y1045-C1047 PolarHBondContact O-N 3.14Å; Y1045-N1050 WeakPolarHBondContact OH-CA 3.22Å; Y1045-N1050 PolarHBondContact OH-OD1 3.1Å; Y1045-L1052 HydrophobicContact CD2-CD2 4.22Å; Y1045-L1052 HydrophobicContact CD2-CG 4.39Å; Y1045-V1223 HydrophobicContact CD2-CB 4.07Å; Y1045-V1223 HydrophobicContact CD2-CG1 3.72Å; Y1045-V1223 HydrophobicContact CE2-CB 3.98Å; Y1045-V1223 HydrophobicContact CE2-CG1 4.16Å; Y1045-V1223 HydrophobicContact CG-CG1 4.42Å; Y1045-G1224 VanDerWaalsContact CD1-CA 3.47Å |
| 1046 | D | 73.4 | Confident | 75.4 | Confident | 29 Ų | 29 | 50.9 Ų | 50.9 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 114.5 | 172.2 | -169.8 | -45.8 | 0 | 0 | 0 | 109.7 | G1044 E1048 K1049 N1050 Q1051 I1053 | G1044-D1046 PolarHBondContact O-N 3.21Å; D1046-E1048 VanDerWaalsContact C-N 3.31Å; D1046-E1048 PolarHBondContact O-N 3.32Å; D1046-E1048 WeakPolarHBondContact OD1-CB 3.49Å; D1046-E1048 PolarHBondContact OD1-N 3.18Å; D1046-K1049 HydrophobicContact CB-CB 4.14Å; D1046-K1049 PolarHBondContact OD1-N 2.87Å; D1046-K1049 IonicContact OD1-NZ 3.37Å; D1046-K1049 VanDerWaalsContact OD2-CD 3.23Å; D1046-K1049 WeakPolarHBondContact OD2-CD 3.4Å; D1046-K1049 WeakPolarHBondContact OD2-CE 3.49Å; D1046-K1049 IonicContact OD2-NZ 2.8Å; D1046-K1049 PolarHBondContact OD2-NZ 3.4Å; D1046-N1050 VanDerWaalsContact O-CA 3.24Å; D1046-N1050 WeakPolarHBondContact O-CA 3.24Å; D1046-N1050 PolarHBondContact O-N 3.16Å; D1046-Q1051 PolarHBondContact N-O 2.82Å; D1046-Q1051 PolarHBondContact O-N 3.16Å; D1046-I1053 HydrophobicContact CB-CD1 4.22Å; D1046-I1053 HydrophobicContact CB-CG1 4.24Å |
| 1047 | C | 65.2 | Low | 74.2 | Confident | 35 Ų | 35 | 54.7 Ų | 54.7 | 24% | 0.236 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -22.8 | -176.1 | -57 | 0 | 0 | 0 | 0 | 113.2 | N1040 Y1045 L1227 | N1040-C1047 PolarHBondContact ND2-SG 3.46Å; Y1045-C1047 PolarHBondContact O-N 3.14Å; C1047-L1227 HydrophobicContact CB-CD1 4.05Å |
| 1048 | E | 63.4 | Low | 73.7 | Confident | 100 Ų | 100 | 53 Ų | 53 | 47% | 0.467 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | -45.9 | -177.2 | -64.6 | 162 | -168.8 | 0 | 0 | 109.1 | D1046 N1050 S1591 | D1046-E1048 VanDerWaalsContact C-N 3.31Å; D1046-E1048 PolarHBondContact O-N 3.32Å; D1046-E1048 WeakPolarHBondContact OD1-CB 3.49Å; D1046-E1048 PolarHBondContact OD1-N 3.18Å; E1048-N1050 VanDerWaalsContact C-N 3.27Å; E1048-N1050 PolarHBondContact O-N 3.14Å; E1048-S1591 WeakPolarHBondContact OE1-CB 3.19Å; E1048-S1591 PolarHBondContact OE1-OG 3.11Å |
| 1049 | K | 66.6 | Low | 73.4 | Confident | 67 Ų | 67 | 52.9 Ų | 52.9 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.6 | 177.6 | -56.5 | 173.5 | -165.4 | 63.2 | 0 | 112.6 | D1046 Q1051 | D1046-K1049 HydrophobicContact CB-CB 4.14Å; D1046-K1049 PolarHBondContact OD1-N 2.87Å; D1046-K1049 IonicContact OD1-NZ 3.37Å; D1046-K1049 VanDerWaalsContact OD2-CD 3.23Å; D1046-K1049 WeakPolarHBondContact OD2-CD 3.4Å; D1046-K1049 WeakPolarHBondContact OD2-CE 3.49Å; D1046-K1049 IonicContact OD2-NZ 2.8Å; D1046-K1049 PolarHBondContact OD2-NZ 3.4Å; K1049-Q1051 HydrophobicContact CB-CB 4.39Å; K1049-Q1051 WeakPolarHBondContact O-CG 3.11Å; K1049-Q1051 PolarHBondContact O-N 3.19Å; K1049-Q1051 PolarHBondContact O-NE2 2.98Å |
| 1050 | N | 64.4 | Low | 73.2 | Confident | 109 Ų | 109 | 53 Ų | 53 | 58% | 0.583 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 34 | -175.6 | -78.3 | -81.8 | 0 | 0 | 0 | 113.8 | Y1045 D1046 E1048 | Y1045-N1050 WeakPolarHBondContact OH-CA 3.22Å; Y1045-N1050 PolarHBondContact OH-OD1 3.1Å; D1046-N1050 VanDerWaalsContact O-CA 3.24Å; D1046-N1050 WeakPolarHBondContact O-CA 3.24Å; D1046-N1050 PolarHBondContact O-N 3.16Å; E1048-N1050 VanDerWaalsContact C-N 3.27Å; E1048-N1050 PolarHBondContact O-N 3.14Å |
| 1051 | Q | 69.5 | Low | 73 | Confident | 90 Ų | 90 | 54.6 Ų | 54.6 | 42% | 0.421 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 151.5 | -168.4 | -83.7 | 163.8 | 77.9 | 0 | 0 | 111.8 | D1046 K1049 | D1046-Q1051 PolarHBondContact N-O 2.82Å; D1046-Q1051 PolarHBondContact O-N 3.16Å; K1049-Q1051 HydrophobicContact CB-CB 4.39Å; K1049-Q1051 WeakPolarHBondContact O-CG 3.11Å; K1049-Q1051 PolarHBondContact O-N 3.19Å; K1049-Q1051 PolarHBondContact O-NE2 2.98Å |
| 1052 | L | 67.3 | Low | 72.9 | Confident | 70 Ų | 70 | 53.7 Ų | 53.7 | 37% | 0.366 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126 | 167.5 | -71.6 | 163.2 | 0 | 0 | 0 | 109.2 | I1043 Y1045 I1129 V1223 | I1043-L1052 HydrophobicContact CG2-CD2 3.51Å; Y1045-L1052 HydrophobicContact CD2-CD2 4.22Å; Y1045-L1052 HydrophobicContact CD2-CG 4.39Å; L1052-I1129 HydrophobicContact CD1-CD1 3.93Å; L1052-I1129 HydrophobicContact CD1-CG1 4.44Å; L1052-I1129 HydrophobicContact CD2-CG2 4.33Å; L1052-V1223 HydrophobicContact CD1-CG1 4.44Å; L1052-V1223 HydrophobicContact CD2-CG1 3.92Å; L1052-V1223 HydrophobicContact CG-CG1 4.29Å |
| 1053 | I | 68.6 | Low | 73 | Confident | 105 Ų | 105 | 53.9 Ų | 53.9 | 54% | 0.538 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 118.6 | 167.1 | -56.3 | 174.6 | 0 | 0 | 0 | 106.8 | G1044 D1046 | G1044-I1053 WeakPolarHBondContact O-CB 3.46Å; G1044-I1053 PolarHBondContact O-N 3.44Å; D1046-I1053 HydrophobicContact CB-CD1 4.22Å; D1046-I1053 HydrophobicContact CB-CG1 4.24Å |
| 1054 | N | 51.9 | Low | 73.2 | Confident | 138 Ų | 138 | 53.8 Ų | 53.8 | 74% | 0.738 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -62.1 | 143.8 | 179.8 | -67.4 | -29.5 | 0 | 0 | 0 | 111 | ||
| 1055 | N | 54 | Low | 73.5 | Confident | 143 Ų | 143 | 58.4 Ų | 58.4 | 77% | 0.765 | 30% | 0.3 | S | S | * | . | trans | 74 | 43 | 178.7 | -49.8 | -16.6 | 0 | 0 | 0 | 116.2 | T1057 | N1055-T1057 PolarHBondContact O-N 2.77Š| ||
| 1056 | S | 58.7 | Low | 74 | Confident | 8 Ų | 8 | 57 Ų | 57 | 6% | 0.056 | 30% | 0.295 | C | S | . | . | trans | -65.5 | 95.5 | 168.4 | 60.1 | 0 | 0 | 0 | 0 | 112 | H1058 N1133 | S1056-H1058 PolarHBondContact O-N 3.1Å; S1056-H1058 VanDerWaalsContact O-N 3.07Å; S1056-N1133 PolarHBondContact OG-ND2 3.47Å | ||
| 1057 | T | 65.5 | Low | 74.8 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | 6.4 | 178 | 56 | 0 | 0 | 0 | 0 | 114.1 | N1055 | N1055-T1057 PolarHBondContact O-N 2.77Š|
| 1058 | H | 80.2 | Confident | 76.1 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 18% | 0.176 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8 | -176.3 | -50.2 | -45.5 | 0 | 0 | 0 | 113.8 | F1041 I1042 S1056 S1060 W1063 M1102 | F1041-H1058 AromaticContact CE1-CD2 3.61Å; F1041-H1058 AromaticContact CE1-CE1 3.91Å; F1041-H1058 AromaticContact CE1-CG 3.82Å; F1041-H1058 AromaticContact CE1-ND1 3.99Å; F1041-H1058 AromaticContact CE1-NE2 3.69Å; F1041-H1058 AromaticContact CZ-CD2 3.93Å; F1041-H1058 AromaticContact CZ-CE1 3.8Å; F1041-H1058 AromaticContact CZ-NE2 3.52Å; I1042-H1058 HydrophobicContact CB-CB 4.5Å; I1042-H1058 HydrophobicContact CG2-CB 4.37Å; S1056-H1058 PolarHBondContact O-N 3.1Å; S1056-H1058 VanDerWaalsContact O-N 3.07Å; H1058-S1060 PolarHBondContact O-N 3.06Å; H1058-W1063 HydrophobicContact CB-CD2 4.25Å; H1058-W1063 HydrophobicContact CB-CG 4.46Å; H1058-W1063 AromaticContact ND1-CE2 3.66Å; H1058-W1063 AromaticContact ND1-CZ2 3.52Å; H1058-W1063 AromaticContact ND1-NE1 3.7Å; H1058-W1063 WeakPolarHBondContact O-CB 3.38Å; H1058-M1102 WeakPolarHBondContact O-CE 3.31Å |
| 1059 | I | 86.1 | Confident | 77.3 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -96.7 | 79 | -179.8 | -56.1 | 166.2 | 0 | 0 | 0 | 109.5 | I1042 M1102 I1130 N1133 Q1135 | I1042-I1059 HydrophobicContact CG2-CG1 3.73Å; I1042-I1059 WeakPolarHBondContact O-CG1 3.32Å; I1059-M1102 HydrophobicContact CG2-CG 4.08Å; I1059-M1102 HydrophobicContact CG2-SD 4.28Å; I1059-I1130 HydrophobicContact CG2-CG2 4.07Å; I1059-I1130 WeakPolarHBondContact CG2-O 3.45Å; I1059-N1133 HydrophobicContact CD1-CB 3.58Å; I1059-Q1135 PolarHBondContact O-N 2.9Å | ||
| 1060 | S | 86.7 | Confident | 78.5 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.028 | 27% | 0.265 | C | S | . | . | S | Bend | trans | -141.6 | 161 | 174.5 | 73.7 | 0 | 0 | 0 | 0 | 112.4 | H1058 I1062 W1063 G1064 M1102 Q1135 | H1058-S1060 PolarHBondContact O-N 3.06Å; S1060-I1062 PolarHBondContact O-N 3.06Å; S1060-I1062 VanDerWaalsContact O-N 3.17Å; S1060-W1063 WeakPolarHBondContact O-CB 3.49Å; S1060-W1063 PolarHBondContact O-N 3.12Å; S1060-W1063 VanDerWaalsContact O-N 3.09Å; S1060-G1064 PolarHBondContact O-N 3.35Å; S1060-M1102 WeakPolarHBondContact O-CE 3.46Å; S1060-Q1135 WeakPolarHBondContact CB-O 3.33Å |
| 1061 | P | 86.9 | Confident | 79.8 | Confident | 37 Ų | 37 | 46.7 Ų | 46.7 | 24% | 0.24 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.4 | -28.1 | 178.5 | -29.5 | 38 | 0 | 0 | 0 | 114.8 | G1064 K1065 M1102 Y1134 Q1135 | P1061-G1064 PolarHBondContact O-N 3.12Å; P1061-K1065 WeakPolarHBondContact O-CB 3.45Å; P1061-K1065 PolarHBondContact O-N 3.48Å; P1061-M1102 WeakPolarHBondContact CA-O 3.44Å; P1061-Y1134 HydrophobicContact CG-CE2 3.93Å; P1061-Y1134 WeakPolarHBondContact CG-OH 3.44Å; P1061-Q1135 WeakPolarHBondContact CD-O 3.37Å |
| 1062 | I | 86.2 | Confident | 80.8 | Confident | 23 Ų | 23 | 44.8 Ų | 44.8 | 12% | 0.118 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -71.6 | -41.3 | 177.3 | -56.6 | -171.4 | 0 | 0 | 0 | 110.4 | V930 L933 S1060 K1065 C1066 I1137 | V930-I1062 HydrophobicContact CB-CG2 4.19Å; V930-I1062 HydrophobicContact CG1-CB 4.26Å; V930-I1062 HydrophobicContact CG1-CG2 3.84Å; V930-I1062 HydrophobicContact CG2-CG2 4.16Å; L933-I1062 HydrophobicContact CB-CD1 4.41Å; L933-I1062 HydrophobicContact CB-CG2 3.45Å; L933-I1062 VanDerWaalsContact CB-CG2 3.45Å; L933-I1062 HydrophobicContact CD2-CG2 3.93Å; L933-I1062 HydrophobicContact CG-CG2 4.34Å; S1060-I1062 PolarHBondContact O-N 3.06Å; S1060-I1062 VanDerWaalsContact O-N 3.17Å; I1062-K1065 PolarHBondContact O-N 3.2Å; I1062-C1066 WeakPolarHBondContact O-CB 3.43Å; I1062-C1066 PolarHBondContact O-N 3.24Å; I1062-C1066 PolarHBondContact O-SG 3.05Å; I1062-C1066 VanDerWaalsContact O-SG 3.39Å; I1062-I1137 HydrophobicContact CB-CD1 4.42Å; I1062-I1137 HydrophobicContact CD1-CD1 3.56Å; I1062-I1137 HydrophobicContact CG1-CD1 3.93Å |
| 1063 | W | 90.4 | Very high | 81.6 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 3% | 0.03 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.9 | -47.1 | 170.1 | -91.4 | 99.2 | 0 | 0 | 0 | 111.4 | L926 T927 V930 F1041 H1058 S1060 K1065 C1066 L1067 M1102 | L926-W1063 HydrophobicContact CB-CE3 4.46Å; L926-W1063 HydrophobicContact CB-CH2 3.91Å; L926-W1063 HydrophobicContact CB-CZ3 3.58Å; L926-W1063 HydrophobicContact CD1-CZ3 4.33Å; T927-W1063 WeakPolarHBondContact OG1-CH2 2.99Å; T927-W1063 WeakPolarHBondContact OG1-CZ2 3.47Å; V930-W1063 HydrophobicContact CG1-CG 4.41Å; V930-W1063 HydrophobicContact CG2-CB 4.39Å; V930-W1063 HydrophobicContact CG2-CD2 3.73Å; V930-W1063 HydrophobicContact CG2-CE3 4.3Å; V930-W1063 HydrophobicContact CG2-CG 3.75Å; V930-W1063 HydrophobicContact CG2-CZ2 4.45Å; F1041-W1063 AromaticContact CE1-CH2 3.86Å; F1041-W1063 HydrophobicContact CE1-CH2 3.86Å; F1041-W1063 HydrophobicContact CE1-CZ2 4.35Å; F1041-W1063 HydrophobicContact CE1-CZ3 4.43Å; H1058-W1063 HydrophobicContact CB-CD2 4.25Å; H1058-W1063 HydrophobicContact CB-CG 4.46Å; H1058-W1063 AromaticContact ND1-CE2 3.66Å; H1058-W1063 AromaticContact ND1-CZ2 3.52Å; H1058-W1063 AromaticContact ND1-NE1 3.7Å; H1058-W1063 WeakPolarHBondContact O-CB 3.38Å; S1060-W1063 WeakPolarHBondContact O-CB 3.49Å; S1060-W1063 PolarHBondContact O-N 3.12Å; S1060-W1063 VanDerWaalsContact O-N 3.09Å; W1063-K1065 VanDerWaalsContact C-N 3.32Å; W1063-K1065 PolarHBondContact O-N 3.18Å; W1063-C1066 PolarHBondContact O-N 3.37Å; W1063-L1067 HydrophobicContact CE3-CD1 4.16Å; W1063-L1067 HydrophobicContact CE3-CG 4.37Å; W1063-L1067 WeakPolarHBondContact O-CB 3.44Å; W1063-L1067 WeakPolarHBondContact O-CD1 3.5Å; W1063-L1067 WeakPolarHBondContact O-CG 3.35Å; W1063-L1067 PolarHBondContact O-N 2.73Å; W1063-M1102 HydrophobicContact CB-CE 3.7Å |
| 1064 | G | 90.9 | Very high | 82.5 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.3 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1060 P1061 L1067 Y1068 | S1060-G1064 PolarHBondContact O-N 3.35Å; P1061-G1064 PolarHBondContact O-N 3.12Å; G1064-L1067 PolarHBondContact O-N 3.03Å; G1064-Y1068 VanDerWaalsContact O-CB 3.22Å; G1064-Y1068 WeakPolarHBondContact O-CB 3.12Å; G1064-Y1068 PolarHBondContact O-N 2.97Å |
| 1065 | K | 88.3 | Confident | 84.4 | Confident | 108 Ų | 108 | 35.5 Ų | 35.5 | 47% | 0.47 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -63.4 | -42.7 | 177.1 | -167.7 | 168.9 | -174.8 | 170 | 0 | 113.2 | L933 P1061 I1062 W1063 N1069 L1103 | L933-K1065 HydrophobicContact CD2-CD 4.5Å; P1061-K1065 WeakPolarHBondContact O-CB 3.45Å; P1061-K1065 PolarHBondContact O-N 3.48Å; I1062-K1065 PolarHBondContact O-N 3.2Å; W1063-K1065 VanDerWaalsContact C-N 3.32Å; W1063-K1065 PolarHBondContact O-N 3.18Å; K1065-N1069 VanDerWaalsContact O-CB 3.31Å; K1065-N1069 WeakPolarHBondContact O-CB 3.35Å; K1065-N1069 VanDerWaalsContact O-CG 3.24Å; K1065-N1069 PolarHBondContact O-N 3.39Å; K1065-N1069 VanDerWaalsContact O-N 3.08Å; K1065-N1069 PolarHBondContact O-ND2 2.95Å; K1065-L1103 HydrophobicContact CB-CD2 4.03Å |
| 1066 | C | 89.9 | Confident | 86 | Confident | 4 Ų | 4 | 28.8 Ų | 28.8 | 3% | 0.027 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -66.6 | -42.2 | 177.6 | -75 | 0 | 0 | 0 | 0 | 112.1 | L926 V930 I1062 W1063 W1070 | L926-C1066 HydrophobicContact CD2-CB 4.29Å; V930-C1066 HydrophobicContact CG2-CB 4.16Å; I1062-C1066 WeakPolarHBondContact O-CB 3.43Å; I1062-C1066 PolarHBondContact O-N 3.24Å; I1062-C1066 PolarHBondContact O-SG 3.05Å; I1062-C1066 VanDerWaalsContact O-SG 3.39Å; W1063-C1066 PolarHBondContact O-N 3.37Å; C1066-W1070 WeakPolarHBondContact O-CB 3.48Å; C1066-W1070 PolarHBondContact O-N 2.88Å; C1066-W1070 VanDerWaalsContact O-N 3.09Å |
| 1067 | L | 91.1 | Very high | 87.2 | Confident | 2 Ų | 2 | 31.7 Ų | 31.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -65.4 | -51.3 | 176.1 | -73.4 | 158.4 | 0 | 0 | 0 | 111.7 | L926 I1042 W1063 G1064 N1069 W1070 I1071 A1099 | L926-L1067 HydrophobicContact CD1-CD2 3.86Å; I1042-L1067 HydrophobicContact CD1-CD1 3.34Å; I1042-L1067 HydrophobicContact CD1-CD2 4.08Å; I1042-L1067 HydrophobicContact CD1-CG 4.36Å; I1042-L1067 HydrophobicContact CG1-CD1 4.14Å; W1063-L1067 HydrophobicContact CE3-CD1 4.16Å; W1063-L1067 HydrophobicContact CE3-CG 4.37Å; W1063-L1067 WeakPolarHBondContact O-CB 3.44Å; W1063-L1067 WeakPolarHBondContact O-CD1 3.5Å; W1063-L1067 WeakPolarHBondContact O-CG 3.35Å; W1063-L1067 PolarHBondContact O-N 2.73Å; G1064-L1067 PolarHBondContact O-N 3.03Å; L1067-N1069 VanDerWaalsContact C-N 3.35Å; L1067-N1069 PolarHBondContact O-N 3.4Å; L1067-W1070 PolarHBondContact O-N 3.16Å; L1067-W1070 VanDerWaalsContact O-N 3.15Å; L1067-I1071 VanDerWaalsContact O-CG1 3.29Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.36Å; L1067-I1071 PolarHBondContact O-N 2.78Å; L1067-A1099 HydrophobicContact CB-CB 3.98Å |
| 1068 | Y | 92.4 | Very high | 88.4 | Confident | 87 Ų | 87 | 29.7 Ų | 29.7 | 34% | 0.341 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -55.4 | -49.1 | 178.8 | -176.9 | -82.8 | 0 | 0 | 0 | 111.4 | G1064 W1070 I1071 H1072 D1100 L1103 | G1064-Y1068 VanDerWaalsContact O-CB 3.22Å; G1064-Y1068 WeakPolarHBondContact O-CB 3.12Å; G1064-Y1068 PolarHBondContact O-N 2.97Å; Y1068-W1070 PolarHBondContact O-N 3.35Å; Y1068-I1071 PolarHBondContact O-N 3.48Å; Y1068-H1072 AromaticContact CD2-CD2 3.52Å; Y1068-H1072 AromaticContact CD2-NE2 3.96Å; Y1068-H1072 HydrophobicContact CE1-CB 4.35Å; Y1068-H1072 AromaticContact CE2-CD2 3.42Å; Y1068-H1072 VanDerWaalsContact CE2-CD2 3.42Å; Y1068-H1072 WeakPolarHBondContact CE2-CD2 3.39Å; Y1068-H1072 AromaticContact CE2-NE2 3.76Å; Y1068-H1072 AromaticContact CG-CD2 3.86Å; Y1068-H1072 AromaticContact CZ-CD2 3.68Å; Y1068-H1072 WeakPolarHBondContact O-CB 3.49Å; Y1068-H1072 PolarHBondContact O-CD2 2.97Å; Y1068-H1072 PolarHBondContact O-N 3.04Å; Y1068-D1100 VanDerWaalsContact CD2-OD1 3.26Å; Y1068-D1100 WeakPolarHBondContact CD2-OD1 3.3Å; Y1068-D1100 WeakPolarHBondContact CE2-OD1 3.22Å; Y1068-L1103 HydrophobicContact CD2-CD1 4.13Å; Y1068-L1103 HydrophobicContact CG-CD1 3.99Å |
| 1069 | N | 89 | Confident | 88.9 | Confident | 26 Ų | 26 | 27.9 Ų | 27.9 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 178 | -75.9 | -12.1 | 0 | 0 | 0 | 111.8 | Y991 L995 K1065 L1067 L1073 C1074 | Y991-N1069 PolarHBondContact OH-ND2 2.73Å; L995-N1069 HydrophobicContact CD2-CB 4.42Å; K1065-N1069 VanDerWaalsContact O-CB 3.31Å; K1065-N1069 WeakPolarHBondContact O-CB 3.35Å; K1065-N1069 VanDerWaalsContact O-CG 3.24Å; K1065-N1069 PolarHBondContact O-N 3.39Å; K1065-N1069 VanDerWaalsContact O-N 3.08Å; K1065-N1069 PolarHBondContact O-ND2 2.95Å; L1067-N1069 VanDerWaalsContact C-N 3.35Å; L1067-N1069 PolarHBondContact O-N 3.4Å; N1069-L1073 HydrophobicContact CB-CD1 4.18Å; N1069-L1073 WeakPolarHBondContact O-CA 3.49Å; N1069-L1073 WeakPolarHBondContact O-CB 3.42Å; N1069-L1073 PolarHBondContact O-N 3.24Å; N1069-C1074 PolarHBondContact O-N 3.44Å |
| 1070 | W | 90.8 | Very high | 89 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 2% | 0.019 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -68.4 | -41.8 | 178.8 | 178.7 | 78.4 | 0 | 0 | 0 | 112.9 | L922 L926 N1000 L1034 L1038 C1066 L1067 Y1068 C1074 L1075 | L922-W1070 HydrophobicContact CD1-CD2 3.97Å; L922-W1070 VanDerWaalsContact CD1-CE2 3.46Å; L922-W1070 HydrophobicContact CD1-CG 4.43Å; L922-W1070 HydrophobicContact CD1-CH2 4.19Å; L922-W1070 HydrophobicContact CD1-CZ2 3.6Å; L922-W1070 HydrophobicContact CD2-CH2 3.32Å; L922-W1070 HydrophobicContact CD2-CZ2 3.46Å; L922-W1070 VanDerWaalsContact CD2-CZ2 3.46Å; L922-W1070 HydrophobicContact CD2-CZ3 3.94Å; L922-W1070 HydrophobicContact CG-CH2 4.4Å; L922-W1070 HydrophobicContact CG-CZ2 4.19Å; L926-W1070 HydrophobicContact CD2-CB 4.41Å; N1000-W1070 PolarHBondContact ND2-NE1 3.03Å; N1000-W1070 VanDerWaalsContact ND2-NE1 3.17Å; L1034-W1070 HydrophobicContact CD1-CH2 4.28Å; L1034-W1070 HydrophobicContact CD2-CH2 4Å; L1034-W1070 HydrophobicContact CG-CH2 4.34Å; L1038-W1070 HydrophobicContact CD1-CH2 4.2Å; L1038-W1070 HydrophobicContact CD1-CZ3 3.73Å; C1066-W1070 WeakPolarHBondContact O-CB 3.48Å; C1066-W1070 PolarHBondContact O-N 2.88Å; C1066-W1070 VanDerWaalsContact O-N 3.09Å; L1067-W1070 PolarHBondContact O-N 3.16Å; L1067-W1070 VanDerWaalsContact O-N 3.15Å; Y1068-W1070 PolarHBondContact O-N 3.35Å; W1070-C1074 WeakPolarHBondContact O-CB 3.26Å; W1070-C1074 PolarHBondContact O-N 2.81Å; W1070-L1075 HydrophobicContact CH2-CD2 3.56Å; W1070-L1075 HydrophobicContact CZ2-CD2 4Å; W1070-L1075 HydrophobicContact CZ3-CD2 3.92Å; W1070-L1075 PolarHBondContact O-N 2.89Å |
| 1071 | I | 91.9 | Very high | 89 | Confident | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -64.2 | -55.8 | 177.4 | -66 | 164.3 | 0 | 0 | 0 | 110.2 | L1067 Y1068 S1076 L1092 I1095 | L1067-I1071 VanDerWaalsContact O-CG1 3.29Å; L1067-I1071 WeakPolarHBondContact O-CG1 3.36Å; L1067-I1071 PolarHBondContact O-N 2.78Å; Y1068-I1071 PolarHBondContact O-N 3.48Å; I1071-S1076 WeakPolarHBondContact O-CB 3.48Å; I1071-S1076 PolarHBondContact O-N 3.09Å; I1071-L1092 HydrophobicContact CG2-CD1 4.43Å; I1071-I1095 HydrophobicContact CD1-CG1 4.16Å; I1071-I1095 HydrophobicContact CD1-CG2 4.01Å |
| 1072 | H | 89.7 | Confident | 89 | Confident | 51 Ų | 51 | 36.2 Ų | 36.2 | 24% | 0.236 | 19% | 0.192 | C | C | . | . | I | π-helix | trans | -87.2 | -30.8 | -167.2 | -68.1 | -66.9 | 0 | 0 | 0 | 114.5 | Y1068 S1096 | Y1068-H1072 AromaticContact CD2-CD2 3.52Å; Y1068-H1072 AromaticContact CD2-NE2 3.96Å; Y1068-H1072 HydrophobicContact CE1-CB 4.35Å; Y1068-H1072 AromaticContact CE2-CD2 3.42Å; Y1068-H1072 VanDerWaalsContact CE2-CD2 3.42Å; Y1068-H1072 WeakPolarHBondContact CE2-CD2 3.39Å; Y1068-H1072 AromaticContact CE2-NE2 3.76Å; Y1068-H1072 AromaticContact CG-CD2 3.86Å; Y1068-H1072 AromaticContact CZ-CD2 3.68Å; Y1068-H1072 WeakPolarHBondContact O-CB 3.49Å; Y1068-H1072 PolarHBondContact O-CD2 2.97Å; Y1068-H1072 PolarHBondContact O-N 3.04Å; H1072-S1096 PolarHBondContact NE2-OG 3Å |
| 1073 | L | 85.5 | Confident | 89 | Confident | 92 Ų | 92 | 38.4 Ų | 38.4 | 48% | 0.482 | 22% | 0.221 | S | C | . | . | I | π-helix | trans | -102.8 | -19.9 | -176.5 | -47.7 | 176.9 | 0 | 0 | 0 | 113.7 | N1069 | N1069-L1073 HydrophobicContact CB-CD1 4.18Å; N1069-L1073 WeakPolarHBondContact O-CA 3.49Å; N1069-L1073 WeakPolarHBondContact O-CB 3.42Å; N1069-L1073 PolarHBondContact O-N 3.24Å |
| 1074 | C | 87.4 | Confident | 88.9 | Confident | 26 Ų | 26 | 38.5 Ų | 38.5 | 18% | 0.176 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -110.1 | -56.4 | 178.9 | -56.7 | 0 | 0 | 0 | 0 | 112.2 | L1003 N1069 W1070 W1078 | L1003-C1074 HydrophobicContact CD1-CB 4.45Å; N1069-C1074 PolarHBondContact O-N 3.44Å; W1070-C1074 WeakPolarHBondContact O-CB 3.26Å; W1070-C1074 PolarHBondContact O-N 2.81Å; C1074-W1078 VanDerWaalsContact O-CB 3.3Å; C1074-W1078 WeakPolarHBondContact O-CB 3.18Å; C1074-W1078 PolarHBondContact O-N 2.79Å; C1074-W1078 VanDerWaalsContact O-N 3.14Å |
| 1075 | L | 90.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | I | π-helix | trans | -79.5 | -41.5 | -172.6 | -179 | 55.6 | 0 | 0 | 0 | 113 | L1003 L1006 L1034 W1070 W1078 A1079 T1088 L1092 | L1003-L1075 HydrophobicContact CD2-CB 4.38Å; L1003-L1075 HydrophobicContact CD2-CD1 3.48Å; L1003-L1075 VanDerWaalsContact CD2-CD1 3.48Å; L1003-L1075 HydrophobicContact CD2-CG 4.5Å; L1006-L1075 HydrophobicContact CD1-CD1 4.23Å; L1034-L1075 HydrophobicContact CD2-CD2 3.88Å; W1070-L1075 HydrophobicContact CH2-CD2 3.56Å; W1070-L1075 HydrophobicContact CZ2-CD2 4Å; W1070-L1075 HydrophobicContact CZ3-CD2 3.92Å; W1070-L1075 PolarHBondContact O-N 2.89Å; L1075-W1078 HydrophobicContact CD1-CE3 3.88Å; L1075-W1078 HydrophobicContact CD1-CZ3 4.4Å; L1075-W1078 PolarHBondContact O-N 2.86Å; L1075-A1079 VanDerWaalsContact O-CB 3.24Å; L1075-A1079 WeakPolarHBondContact O-CB 3.49Å; L1075-A1079 PolarHBondContact O-N 3.41Å; L1075-T1088 HydrophobicContact CD2-CG2 4.47Å; L1075-T1088 HydrophobicContact CG-CG2 4.03Å; L1075-L1092 HydrophobicContact CD2-CD1 3.46Å; L1075-L1092 VanDerWaalsContact CD2-CD1 3.46Å; L1075-L1092 HydrophobicContact CG-CD1 4.32Å |
| 1076 | S | 87.6 | Confident | 88.7 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.5 | -39.9 | 176.9 | -168.2 | 0 | 0 | 0 | 0 | 112.3 | I1071 A1079 S1080 | I1071-S1076 WeakPolarHBondContact O-CB 3.48Å; I1071-S1076 PolarHBondContact O-N 3.09Å; S1076-A1079 PolarHBondContact O-N 3.49Å; S1076-S1080 WeakPolarHBondContact O-CB 3.34Å; S1076-S1080 PolarHBondContact O-N 2.98Å |
| 1077 | D | 84.7 | Confident | 88.6 | Confident | 69 Ų | 69 | 43.2 Ų | 43.2 | 37% | 0.369 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -71 | -40.8 | 176.7 | -84.3 | -1.2 | 0 | 0 | 0 | 112.2 | A1079 S1080 A1081 R1085 | D1077-A1079 VanDerWaalsContact C-N 3.35Å; D1077-A1079 PolarHBondContact O-N 3.11Å; D1077-S1080 WeakPolarHBondContact O-CB 3.4Å; D1077-S1080 PolarHBondContact O-N 3.12Å; D1077-S1080 PolarHBondContact O-OG 3.33Å; D1077-A1081 PolarHBondContact O-N 2.79Å; D1077-R1085 IonicContact OD1-NH1 3.32Å |
| 1078 | W | 90.9 | Very high | 88.5 | Confident | 37 Ų | 37 | 43.3 Ų | 43.3 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -47.4 | 168.5 | 173 | 85.8 | 0 | 0 | 0 | 111.7 | L1003 L1006 S1007 L1010 F1027 C1074 L1075 S1080 A1081 H1082 L1084 | L1003-W1078 HydrophobicContact CD1-CB 4.49Å; L1003-W1078 HydrophobicContact CD2-CB 4.15Å; L1003-W1078 HydrophobicContact CD2-CD2 4.09Å; L1003-W1078 HydrophobicContact CD2-CE3 4.35Å; L1003-W1078 HydrophobicContact CD2-CG 3.99Å; L1006-W1078 HydrophobicContact CB-CH2 3.73Å; L1006-W1078 HydrophobicContact CB-CZ2 3.9Å; L1006-W1078 HydrophobicContact CB-CZ3 4.37Å; L1006-W1078 HydrophobicContact CD1-CZ3 4.34Å; S1007-W1078 PolarHBondContact OG-NE1 2.92Å; L1010-W1078 HydrophobicContact CD2-CZ2 4.41Å; F1027-W1078 AromaticContact CE1-CH2 3.67Å; F1027-W1078 HydrophobicContact CE1-CH2 3.67Å; F1027-W1078 HydrophobicContact CE1-CZ3 4.18Å; F1027-W1078 HydrophobicContact CZ-CH2 4.11Å; C1074-W1078 VanDerWaalsContact O-CB 3.3Å; C1074-W1078 WeakPolarHBondContact O-CB 3.18Å; C1074-W1078 PolarHBondContact O-N 2.79Å; C1074-W1078 VanDerWaalsContact O-N 3.14Å; L1075-W1078 HydrophobicContact CD1-CE3 3.88Å; L1075-W1078 HydrophobicContact CD1-CZ3 4.4Å; L1075-W1078 PolarHBondContact O-N 2.86Å; W1078-S1080 VanDerWaalsContact C-N 3.26Å; W1078-S1080 PolarHBondContact O-N 3.27Å; W1078-A1081 PolarHBondContact O-N 3.48Å; W1078-H1082 AromaticContact CD2-CD2 3.98Å; W1078-H1082 AromaticContact CE2-CD2 3.44Å; W1078-H1082 VanDerWaalsContact CE2-CD2 3.44Å; W1078-H1082 AromaticContact CE2-NE2 3.76Å; W1078-H1082 AromaticContact CZ2-CD2 3.54Å; W1078-H1082 AromaticContact CZ2-NE2 3.97Å; W1078-H1082 AromaticContact NE1-CD2 3.62Å; W1078-H1082 AromaticContact NE1-NE2 3.47Å; W1078-H1082 PolarHBondContact NE1-NE2 3.09Å; W1078-H1082 PolarHBondContact O-CD2 2.5Å; W1078-L1084 HydrophobicContact CH2-CD1 4.44Å |
| 1079 | A | 91 | Very high | 88.2 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.8 | -29.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1075 S1076 D1077 H1082 G1083 L1084 R1085 T1088 | L1075-A1079 VanDerWaalsContact O-CB 3.24Å; L1075-A1079 WeakPolarHBondContact O-CB 3.49Å; L1075-A1079 PolarHBondContact O-N 3.41Å; S1076-A1079 PolarHBondContact O-N 3.49Å; D1077-A1079 VanDerWaalsContact C-N 3.35Å; D1077-A1079 PolarHBondContact O-N 3.11Å; A1079-H1082 CarbonylContact O-C 3.59Å; A1079-H1082 PolarHBondContact O-N 2.95Å; A1079-G1083 PolarHBondContact O-N 2.91Å; A1079-L1084 HydrophobicContact CB-CB 4.12Å; A1079-L1084 PolarHBondContact O-N 2.77Å; A1079-R1085 PolarHBondContact O-N 3.37Å; A1079-T1088 WeakPolarHBondContact CB-OG1 3.43Å |
| 1080 | S | 87.1 | Confident | 88.1 | Confident | 57 Ų | 57 | 45.4 Ų | 45.4 | 40% | 0.399 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 176.6 | 85.2 | 0 | 0 | 0 | 0 | 112.4 | S1076 D1077 W1078 H1082 G1083 | S1076-S1080 WeakPolarHBondContact O-CB 3.34Å; S1076-S1080 PolarHBondContact O-N 2.98Å; D1077-S1080 WeakPolarHBondContact O-CB 3.4Å; D1077-S1080 PolarHBondContact O-N 3.12Å; D1077-S1080 PolarHBondContact O-OG 3.33Å; W1078-S1080 VanDerWaalsContact C-N 3.26Å; W1078-S1080 PolarHBondContact O-N 3.27Å; S1080-H1082 PolarHBondContact O-N 3.49Å; S1080-G1083 PolarHBondContact O-N 2.75Å |
| 1081 | A | 86.9 | Confident | 88.1 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 69% | 0.686 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.2 | -25 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D1077 W1078 | D1077-A1081 PolarHBondContact O-N 2.79Å; W1078-A1081 PolarHBondContact O-N 3.48Å |
| 1082 | H | 87.5 | Confident | 88.1 | Confident | 76 Ų | 76 | 48.3 Ų | 48.3 | 35% | 0.352 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | 3.3 | 178.9 | -63.8 | -51.4 | 0 | 0 | 0 | 114.2 | L1010 W1078 A1079 S1080 L1084 | L1010-H1082 HydrophobicContact CD2-CB 3.67Å; L1010-H1082 WeakPolarHBondContact CD2-ND1 3.48Å; W1078-H1082 AromaticContact CD2-CD2 3.98Å; W1078-H1082 AromaticContact CE2-CD2 3.44Å; W1078-H1082 VanDerWaalsContact CE2-CD2 3.44Å; W1078-H1082 AromaticContact CE2-NE2 3.76Å; W1078-H1082 AromaticContact CZ2-CD2 3.54Å; W1078-H1082 AromaticContact CZ2-NE2 3.97Å; W1078-H1082 AromaticContact NE1-CD2 3.62Å; W1078-H1082 AromaticContact NE1-NE2 3.47Å; W1078-H1082 PolarHBondContact NE1-NE2 3.09Å; W1078-H1082 PolarHBondContact O-CD2 2.5Å; A1079-H1082 CarbonylContact O-C 3.59Å; A1079-H1082 PolarHBondContact O-N 2.95Å; S1080-H1082 PolarHBondContact O-N 3.49Å; H1082-L1084 HydrophobicContact CB-CD1 4.29Å; H1082-L1084 HydrophobicContact CB-CG 4.48Å; H1082-L1084 PolarHBondContact O-N 3.02Å |
| 1083 | G | 85.9 | Confident | 88.2 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 72% | 0.722 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 7.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A1079 S1080 | A1079-G1083 PolarHBondContact O-N 2.91Å; S1080-G1083 PolarHBondContact O-N 2.75Å |
| 1084 | L | 88.5 | Confident | 88.4 | Confident | 9 Ų | 9 | 47.1 Ų | 47.1 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | trans | -91 | -4.5 | -177.2 | -69.5 | 170.7 | 0 | 0 | 0 | 113.8 | V1024 F1027 W1078 A1079 H1082 L1086 A1087 T1088 | V1024-L1084 HydrophobicContact CG2-CD2 4.35Å; F1027-L1084 HydrophobicContact CB-CD1 4.31Å; F1027-L1084 HydrophobicContact CB-CD2 4.11Å; F1027-L1084 HydrophobicContact CD1-CD1 3.74Å; F1027-L1084 HydrophobicContact CD2-CD1 3.97Å; F1027-L1084 HydrophobicContact CE1-CD1 4.03Å; F1027-L1084 HydrophobicContact CE2-CD1 4.26Å; F1027-L1084 HydrophobicContact CG-CD1 3.7Å; F1027-L1084 HydrophobicContact CG-CD2 4.33Å; F1027-L1084 HydrophobicContact CZ-CD1 4.29Å; W1078-L1084 HydrophobicContact CH2-CD1 4.44Å; A1079-L1084 HydrophobicContact CB-CB 4.12Å; A1079-L1084 PolarHBondContact O-N 2.77Å; H1082-L1084 HydrophobicContact CB-CD1 4.29Å; H1082-L1084 HydrophobicContact CB-CG 4.48Å; H1082-L1084 PolarHBondContact O-N 3.02Å; L1084-L1086 VanDerWaalsContact C-N 3.29Å; L1084-L1086 PolarHBondContact O-N 2.92Å; L1084-L1086 VanDerWaalsContact O-N 3.12Å; L1084-A1087 WeakPolarHBondContact O-CA 3.37Å; L1084-A1087 VanDerWaalsContact O-CB 3.32Å; L1084-A1087 WeakPolarHBondContact O-CB 3.47Å; L1084-A1087 PolarHBondContact O-N 3.45Å; L1084-T1088 PolarHBondContact O-N 2.88Å; L1084-T1088 VanDerWaalsContact O-N 3.09Å | ||
| 1085 | R | 88.6 | Confident | 88.7 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 30% | 0.298 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -48 | -42.9 | -175.3 | 175.2 | 170.6 | 174.1 | 123.7 | 16.2 | 114.6 | D1077 A1079 A1087 T1088 E1089 | D1077-R1085 IonicContact OD1-NH1 3.32Å; A1079-R1085 PolarHBondContact O-N 3.37Å; R1085-A1087 VanDerWaalsContact C-N 3.31Å; R1085-A1087 PolarHBondContact O-N 2.95Å; R1085-T1088 WeakPolarHBondContact O-CA 3.37Å; R1085-T1088 WeakPolarHBondContact O-CB 3.37Å; R1085-T1088 PolarHBondContact O-N 3.5Å; R1085-T1088 VanDerWaalsContact O-N 3.11Å; R1085-E1089 HydrophobicContact CG-CG 4.29Å; R1085-E1089 IonicContact CZ-OE1 2.74Å; R1085-E1089 IonicContact NE-OE1 3.37Å; R1085-E1089 PolarHBondContact NE-OE1 2.84Å; R1085-E1089 IonicContact NH2-OE1 2.64Å; R1085-E1089 PolarHBondContact NH2-OE1 3.47Å; R1085-E1089 WeakPolarHBondContact O-CG 3.18Å; R1085-E1089 PolarHBondContact O-N 3.45Å |
| 1086 | L | 86.5 | Confident | 88.9 | Confident | 121 Ų | 121 | 46.5 Ų | 46.5 | 63% | 0.634 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -63.8 | -34.4 | 176.9 | -77.2 | 164.8 | 0 | 0 | 0 | 112.9 | L1084 C1090 | L1084-L1086 VanDerWaalsContact C-N 3.29Å; L1084-L1086 PolarHBondContact O-N 2.92Å; L1084-L1086 VanDerWaalsContact O-N 3.12Å; L1086-C1090 WeakPolarHBondContact O-CB 3.35Å; L1086-C1090 PolarHBondContact O-N 3.13Å; L1086-C1090 PolarHBondContact O-SG 3.1Å; L1086-C1090 VanDerWaalsContact O-SG 3.34Å |
| 1087 | A | 86.9 | Confident | 89.2 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.6 | -38.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L1031 L1084 R1085 C1090 Y1091 | L1031-A1087 HydrophobicContact CD1-CB 3.99Å; L1084-A1087 WeakPolarHBondContact O-CA 3.37Å; L1084-A1087 VanDerWaalsContact O-CB 3.32Å; L1084-A1087 WeakPolarHBondContact O-CB 3.47Å; L1084-A1087 PolarHBondContact O-N 3.45Å; R1085-A1087 VanDerWaalsContact C-N 3.31Å; R1085-A1087 PolarHBondContact O-N 2.95Å; A1087-C1090 PolarHBondContact O-N 2.94Å; A1087-Y1091 HydrophobicContact CB-CD2 4.08Å; A1087-Y1091 HydrophobicContact CB-CE2 4.33Å; A1087-Y1091 WeakPolarHBondContact O-CB 3.47Å; A1087-Y1091 VanDerWaalsContact O-CD2 3.22Å; A1087-Y1091 WeakPolarHBondContact O-CD2 3.31Å; A1087-Y1091 PolarHBondContact O-N 3.07Å |
| 1088 | T | 89.1 | Confident | 89.6 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.018 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.9 | -46.7 | 173 | -53.9 | 0 | 0 | 0 | 0 | 111.6 | L1075 A1079 L1084 R1085 C1090 L1092 | L1075-T1088 HydrophobicContact CD2-CG2 4.47Å; L1075-T1088 HydrophobicContact CG-CG2 4.03Å; A1079-T1088 WeakPolarHBondContact CB-OG1 3.43Å; L1084-T1088 PolarHBondContact O-N 2.88Å; L1084-T1088 VanDerWaalsContact O-N 3.09Å; R1085-T1088 WeakPolarHBondContact O-CA 3.37Å; R1085-T1088 WeakPolarHBondContact O-CB 3.37Å; R1085-T1088 PolarHBondContact O-N 3.5Å; R1085-T1088 VanDerWaalsContact O-N 3.11Å; T1088-C1090 PolarHBondContact O-N 2.94Å; T1088-L1092 HydrophobicContact CG2-CD1 3.6Å; T1088-L1092 HydrophobicContact CG2-CG 4.23Å; T1088-L1092 VanDerWaalsContact O-CB 3.24Å; T1088-L1092 WeakPolarHBondContact O-CB 3.37Å; T1088-L1092 WeakPolarHBondContact O-CG 3.43Å; T1088-L1092 PolarHBondContact O-N 2.99Å; T1088-L1092 VanDerWaalsContact O-N 3.11Å |
| 1089 | E | 87.4 | Confident | 89.8 | Confident | 77 Ų | 77 | 42.5 Ų | 42.5 | 36% | 0.36 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63 | -38.1 | 178.7 | -72 | 167.1 | 160.1 | 0 | 0 | 112.3 | R1085 | R1085-E1089 HydrophobicContact CG-CG 4.29Å; R1085-E1089 IonicContact CZ-OE1 2.74Å; R1085-E1089 IonicContact NE-OE1 3.37Å; R1085-E1089 PolarHBondContact NE-OE1 2.84Å; R1085-E1089 IonicContact NH2-OE1 2.64Å; R1085-E1089 PolarHBondContact NH2-OE1 3.47Å; R1085-E1089 WeakPolarHBondContact O-CG 3.18Å; R1085-E1089 PolarHBondContact O-N 3.45Å |
| 1090 | C | 86.8 | Confident | 89.8 | Confident | 81 Ų | 81 | 44.6 Ų | 44.6 | 55% | 0.547 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -78 | -53.1 | 176.3 | -67.3 | 0 | 0 | 0 | 0 | 113.9 | L1086 A1087 T1088 L1092 Q1093 | L1086-C1090 WeakPolarHBondContact O-CB 3.35Å; L1086-C1090 PolarHBondContact O-N 3.13Å; L1086-C1090 PolarHBondContact O-SG 3.1Å; L1086-C1090 VanDerWaalsContact O-SG 3.34Å; A1087-C1090 PolarHBondContact O-N 2.94Å; T1088-C1090 PolarHBondContact O-N 2.94Å; C1090-L1092 VanDerWaalsContact C-N 3.33Å; C1090-L1092 PolarHBondContact O-N 3.18Å; C1090-Q1093 WeakPolarHBondContact O-CB 3.38Å; C1090-Q1093 PolarHBondContact O-N 3.24Å |
| 1091 | Y | 90.5 | Very high | 90.1 | Very high | 67 Ų | 67 | 41.9 Ų | 41.9 | 26% | 0.263 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -79 | -13.9 | -171 | -67.7 | -69.1 | 0 | 0 | 0 | 114 | A1028 L1031 H1032 N1035 A1087 L1229 | A1028-Y1091 HydrophobicContact CB-CD2 3.97Å; A1028-Y1091 HydrophobicContact CB-CE1 4.07Å; A1028-Y1091 HydrophobicContact CB-CE2 3.35Å; A1028-Y1091 VanDerWaalsContact CB-CZ 3.41Å; L1031-Y1091 HydrophobicContact CB-CG 4.49Å; H1032-Y1091 HydrophobicContact CB-CD1 4.32Å; N1035-Y1091 WeakPolarHBondContact CB-O 3.45Å; A1087-Y1091 HydrophobicContact CB-CD2 4.08Å; A1087-Y1091 HydrophobicContact CB-CE2 4.33Å; A1087-Y1091 WeakPolarHBondContact O-CB 3.47Å; A1087-Y1091 VanDerWaalsContact O-CD2 3.22Å; A1087-Y1091 WeakPolarHBondContact O-CD2 3.31Å; A1087-Y1091 PolarHBondContact O-N 3.07Å; Y1091-L1229 HydrophobicContact CD1-CD2 4.44Å; Y1091-L1229 HydrophobicContact CE1-CD1 4.42Å; Y1091-L1229 HydrophobicContact CE1-CD2 4.01Å |
| 1092 | L | 92.2 | Very high | 90.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.016 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 13.6 | 171 | -50.3 | -172.7 | 0 | 0 | 0 | 113.1 | L1031 L1034 N1035 I1071 L1075 T1088 C1090 R1094 I1095 S1096 | L1031-L1092 HydrophobicContact CB-CD2 4.2Å; L1031-L1092 HydrophobicContact CD2-CD1 4.33Å; L1031-L1092 HydrophobicContact CD2-CD2 4.2Å; L1031-L1092 HydrophobicContact CD2-CG 4.33Å; L1031-L1092 WeakPolarHBondContact O-CD2 3.45Å; L1034-L1092 HydrophobicContact CD2-CD2 4.29Å; N1035-L1092 HydrophobicContact CB-CD2 3.84Å; I1071-L1092 HydrophobicContact CG2-CD1 4.43Å; L1075-L1092 HydrophobicContact CD2-CD1 3.46Å; L1075-L1092 VanDerWaalsContact CD2-CD1 3.46Å; L1075-L1092 HydrophobicContact CG-CD1 4.32Å; T1088-L1092 HydrophobicContact CG2-CD1 3.6Å; T1088-L1092 HydrophobicContact CG2-CG 4.23Å; T1088-L1092 VanDerWaalsContact O-CB 3.24Å; T1088-L1092 WeakPolarHBondContact O-CB 3.37Å; T1088-L1092 WeakPolarHBondContact O-CG 3.43Å; T1088-L1092 PolarHBondContact O-N 2.99Å; T1088-L1092 VanDerWaalsContact O-N 3.11Å; C1090-L1092 VanDerWaalsContact C-N 3.33Å; C1090-L1092 PolarHBondContact O-N 3.18Å; L1092-R1094 VanDerWaalsContact C-N 3.3Å; L1092-R1094 PolarHBondContact O-N 3.31Å; L1092-I1095 HydrophobicContact CB-CG2 3.71Å; L1092-I1095 HydrophobicContact CD2-CG2 4.37Å; L1092-I1095 WeakPolarHBondContact O-CG2 3.47Å; L1092-I1095 PolarHBondContact O-N 3.19Å; L1092-S1096 PolarHBondContact O-N 2.99Å |
| 1093 | Q | 90.9 | Very high | 90.4 | Very high | 73 Ų | 73 | 38 Ų | 38 | 34% | 0.341 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.3 | -39.2 | -174.7 | -169.3 | 178.8 | -11.1 | 0 | 0 | 112.3 | C1090 S1096 Q1097 S1121 | C1090-Q1093 WeakPolarHBondContact O-CB 3.38Å; C1090-Q1093 PolarHBondContact O-N 3.24Å; Q1093-S1096 PolarHBondContact O-N 2.89Å; Q1093-Q1097 HydrophobicContact CG-CG 4.36Å; Q1093-Q1097 WeakPolarHBondContact O-CB 3.38Å; Q1093-Q1097 WeakPolarHBondContact O-CG 3.43Å; Q1093-Q1097 PolarHBondContact O-N 3.41Å; Q1093-S1121 PolarHBondContact O-OG 2.72Å |
| 1094 | R | 90.7 | Very high | 90.5 | Very high | 44 Ų | 44 | 35.4 Ų | 35.4 | 17% | 0.166 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.9 | -46.6 | -179.7 | -161.1 | -170.1 | -57.4 | -85.1 | -6.8 | 112.1 | F1039 L1092 Q1097 A1098 S1121 L1122 E1225 | F1039-R1094 HydrophobicContact CD2-CG 4.02Å; F1039-R1094 HydrophobicContact CE2-CG 3.81Å; F1039-R1094 HydrophobicContact CG-CG 4.47Å; F1039-R1094 HydrophobicContact CZ-CG 4.06Å; L1092-R1094 VanDerWaalsContact C-N 3.3Å; L1092-R1094 PolarHBondContact O-N 3.31Å; R1094-Q1097 PolarHBondContact O-N 2.86Å; R1094-A1098 WeakPolarHBondContact O-CB 3.43Å; R1094-A1098 PolarHBondContact O-N 2.86Å; R1094-S1121 VanDerWaalsContact CA-OG 3.3Å; R1094-S1121 WeakPolarHBondContact CA-OG 3.17Å; R1094-S1121 VanDerWaalsContact CZ-O 3.3Å; R1094-S1121 PolarHBondContact N-OG 2.83Å; R1094-S1121 PolarHBondContact NH1-O 3.09Å; R1094-L1122 HydrophobicContact CG-CD2 3.58Å; R1094-L1122 HydrophobicContact CG-CG 4.48Å; R1094-E1225 VanDerWaalsContact CZ-CD 3.49Å; R1094-E1225 IonicContact CZ-OE1 2.81Å; R1094-E1225 VanDerWaalsContact CZ-OE1 3.23Å; R1094-E1225 IonicContact CZ-OE2 3.69Å; R1094-E1225 IonicContact NE-OE1 3.02Å; R1094-E1225 PolarHBondContact NE-OE1 3.35Å; R1094-E1225 IonicContact NE-OE2 3.89Å; R1094-E1225 PolarHBondContact NE-OE2 2.94Å; R1094-E1225 IonicContact NH2-OE1 2.6Å; R1094-E1225 PolarHBondContact NH2-OE1 3.44Å; R1094-E1225 IonicContact NH2-OE2 2.84Å; R1094-E1225 PolarHBondContact NH2-OE2 2.79Å |
| 1095 | I | 93.8 | Very high | 90.1 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.3 | -32.4 | 177.7 | -170 | 63.3 | 0 | 0 | 0 | 112.4 | N1035 L1038 F1039 I1042 I1071 L1092 A1099 | N1035-I1095 HydrophobicContact CB-CG2 4.28Å; N1035-I1095 WeakPolarHBondContact OD1-CB 3.07Å; N1035-I1095 WeakPolarHBondContact OD1-CG2 3.3Å; N1035-I1095 PolarHBondContact OD1-N 3.18Å; L1038-I1095 HydrophobicContact CB-CD1 3.88Å; L1038-I1095 HydrophobicContact CB-CG1 4.04Å; L1038-I1095 HydrophobicContact CD1-CG1 4.49Å; F1039-I1095 HydrophobicContact CB-CD1 4.25Å; I1042-I1095 HydrophobicContact CD1-CD1 3.35Å; I1071-I1095 HydrophobicContact CD1-CG1 4.16Å; I1071-I1095 HydrophobicContact CD1-CG2 4.01Å; L1092-I1095 HydrophobicContact CB-CG2 3.71Å; L1092-I1095 HydrophobicContact CD2-CG2 4.37Å; L1092-I1095 WeakPolarHBondContact O-CG2 3.47Å; L1092-I1095 PolarHBondContact O-N 3.19Å; I1095-A1099 PolarHBondContact O-N 3.27Å |
| 1096 | S | 94 | Very high | 89.8 | Confident | 13 Ų | 13 | 36 Ų | 36 | 9% | 0.091 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -55.3 | 169.1 | -173.2 | 0 | 0 | 0 | 0 | 110.9 | H1072 L1092 Q1093 A1098 A1099 D1100 | H1072-S1096 PolarHBondContact NE2-OG 3Å; L1092-S1096 PolarHBondContact O-N 2.99Å; Q1093-S1096 PolarHBondContact O-N 2.89Å; S1096-A1098 PolarHBondContact O-N 2.76Å; S1096-A1099 CarbonylContact O-C 3.56Å; S1096-A1099 WeakPolarHBondContact O-CA 3.32Å; S1096-A1099 WeakPolarHBondContact O-CB 3.44Å; S1096-A1099 PolarHBondContact O-N 3.36Å; S1096-D1100 PolarHBondContact O-N 2.92Å; S1096-D1100 PolarHBondContact OG-OD2 3.46Å |
| 1097 | Q | 93.7 | Very high | 89.4 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.103 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.7 | -27.8 | -176 | -75.1 | -172.3 | -18.5 | 0 | 0 | 112.8 | Q1093 R1094 D1100 L1101 L1119 S1121 L1122 | Q1093-Q1097 HydrophobicContact CG-CG 4.36Å; Q1093-Q1097 WeakPolarHBondContact O-CB 3.38Å; Q1093-Q1097 WeakPolarHBondContact O-CG 3.43Å; Q1093-Q1097 PolarHBondContact O-N 3.41Å; R1094-Q1097 PolarHBondContact O-N 2.86Å; Q1097-D1100 WeakPolarHBondContact CA-OD2 3.39Å; Q1097-D1100 PolarHBondContact N-OD2 3.13Å; Q1097-L1101 WeakPolarHBondContact O-CB 3.49Å; Q1097-L1101 PolarHBondContact O-N 3.14Å; Q1097-L1119 HydrophobicContact CB-CB 4.45Å; Q1097-L1119 HydrophobicContact CB-CD2 4.01Å; Q1097-L1119 HydrophobicContact CG-CD2 3.97Å; Q1097-L1119 PolarHBondContact OE1-O 3.26Å; Q1097-S1121 PolarHBondContact OE1-OG 2.9Å; Q1097-L1122 HydrophobicContact CB-CD1 4.18Å; Q1097-L1122 HydrophobicContact CB-CG 4.3Å |
| 1098 | A | 93.7 | Very high | 89.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 2% | 0.017 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -66.4 | -45.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | F1039 R1094 S1096 L1101 M1102 I1130 | F1039-A1098 HydrophobicContact CD2-CB 4.15Å; F1039-A1098 HydrophobicContact CE2-CB 4.03Å; R1094-A1098 WeakPolarHBondContact O-CB 3.43Å; R1094-A1098 PolarHBondContact O-N 2.86Å; S1096-A1098 PolarHBondContact O-N 2.76Å; A1098-L1101 PolarHBondContact O-N 3.19Å; A1098-M1102 WeakPolarHBondContact O-CB 3.46Å; A1098-M1102 WeakPolarHBondContact O-CG 3.45Å; A1098-M1102 PolarHBondContact O-N 3.35Å; A1098-I1130 HydrophobicContact CB-CD1 4.06Å |
| 1099 | A | 93.7 | Very high | 88.9 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -38.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1067 I1095 S1096 M1102 L1103 | L1067-A1099 HydrophobicContact CB-CB 3.98Å; I1095-A1099 PolarHBondContact O-N 3.27Å; S1096-A1099 CarbonylContact O-C 3.56Å; S1096-A1099 WeakPolarHBondContact O-CA 3.32Å; S1096-A1099 WeakPolarHBondContact O-CB 3.44Å; S1096-A1099 PolarHBondContact O-N 3.36Å; A1099-M1102 PolarHBondContact O-N 2.93Å; A1099-L1103 VanDerWaalsContact O-CG 3.31Å; A1099-L1103 WeakPolarHBondContact O-CG 3.35Å; A1099-L1103 PolarHBondContact O-N 3.04Å; A1099-L1103 VanDerWaalsContact O-N 3.09Å |
| 1100 | D | 92.5 | Very high | 88.6 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 24% | 0.235 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.2 | -44.3 | 174.8 | -60 | -45.4 | 0 | 0 | 0 | 110.6 | Y1068 S1096 Q1097 L1103 C1104 | Y1068-D1100 VanDerWaalsContact CD2-OD1 3.26Å; Y1068-D1100 WeakPolarHBondContact CD2-OD1 3.3Å; Y1068-D1100 WeakPolarHBondContact CE2-OD1 3.22Å; S1096-D1100 PolarHBondContact O-N 2.92Å; S1096-D1100 PolarHBondContact OG-OD2 3.46Å; Q1097-D1100 WeakPolarHBondContact CA-OD2 3.39Å; Q1097-D1100 PolarHBondContact N-OD2 3.13Å; D1100-L1103 PolarHBondContact O-N 2.91Å; D1100-C1104 PolarHBondContact O-N 3.45Å |
| 1101 | L | 92.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.6 | -40.6 | 173.6 | -177.4 | 53.8 | 0 | 0 | 0 | 112.6 | Q1097 A1098 L1103 C1104 M1106 L1112 T1116 L1119 L1122 V1127 I1130 L1131 | Q1097-L1101 WeakPolarHBondContact O-CB 3.49Å; Q1097-L1101 PolarHBondContact O-N 3.14Å; A1098-L1101 PolarHBondContact O-N 3.19Å; L1101-L1103 PolarHBondContact O-N 2.9Å; L1101-C1104 WeakPolarHBondContact O-CB 3.35Å; L1101-C1104 PolarHBondContact O-N 3.06Å; L1101-C1104 VanDerWaalsContact O-N 3.17Å; L1101-M1106 WeakPolarHBondContact O-CE 3.49Å; L1101-L1112 HydrophobicContact CD1-CD1 3.74Å; L1101-T1116 HydrophobicContact CD1-CG2 3.4Å; L1101-T1116 VanDerWaalsContact CD1-CG2 3.4Å; L1101-T1116 HydrophobicContact CD2-CG2 4.32Å; L1101-L1119 HydrophobicContact CB-CD1 3.82Å; L1101-L1119 HydrophobicContact CD1-CD1 4.2Å; L1101-L1119 HydrophobicContact CD2-CD1 4.1Å; L1101-L1119 HydrophobicContact CG-CD1 4.26Å; L1101-L1122 HydrophobicContact CD2-CD1 4.28Å; L1101-V1127 HydrophobicContact CD2-CG1 4.21Å; L1101-I1130 HydrophobicContact CD2-CB 4.2Å; L1101-I1130 HydrophobicContact CD2-CD1 4.42Å; L1101-I1130 HydrophobicContact CD2-CG2 3.76Å; L1101-I1130 HydrophobicContact CG-CG2 4.07Å; L1101-L1131 HydrophobicContact CD1-CD2 4.2Å; L1101-L1131 HydrophobicContact CG-CD2 4.46Å |
| 1102 | M | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -12 | 176.3 | -70.6 | 164 | 56.8 | 0 | 0 | 113.5 | I1042 H1058 I1059 S1060 P1061 W1063 A1098 A1099 I1130 | I1042-M1102 HydrophobicContact CG2-CE 4.37Å; I1042-M1102 HydrophobicContact CG2-SD 4.11Å; H1058-M1102 WeakPolarHBondContact O-CE 3.31Å; I1059-M1102 HydrophobicContact CG2-CG 4.08Å; I1059-M1102 HydrophobicContact CG2-SD 4.28Å; S1060-M1102 WeakPolarHBondContact O-CE 3.46Å; P1061-M1102 WeakPolarHBondContact CA-O 3.44Å; W1063-M1102 HydrophobicContact CB-CE 3.7Å; A1098-M1102 WeakPolarHBondContact O-CB 3.46Å; A1098-M1102 WeakPolarHBondContact O-CG 3.45Å; A1098-M1102 PolarHBondContact O-N 3.35Å; A1099-M1102 PolarHBondContact O-N 2.93Å; M1102-I1130 HydrophobicContact CG-CG2 4.15Å |
| 1103 | L | 90.1 | Very high | 87.8 | Confident | 76 Ų | 76 | 38.4 Ų | 38.4 | 40% | 0.398 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -3.5 | 174 | -72.2 | 170.9 | 0 | 0 | 0 | 113.5 | K1065 Y1068 A1099 D1100 L1101 | K1065-L1103 HydrophobicContact CB-CD2 4.03Å; Y1068-L1103 HydrophobicContact CD2-CD1 4.13Å; Y1068-L1103 HydrophobicContact CG-CD1 3.99Å; A1099-L1103 VanDerWaalsContact O-CG 3.31Å; A1099-L1103 WeakPolarHBondContact O-CG 3.35Å; A1099-L1103 PolarHBondContact O-N 3.04Å; A1099-L1103 VanDerWaalsContact O-N 3.09Å; D1100-L1103 PolarHBondContact O-N 2.91Å; L1101-L1103 PolarHBondContact O-N 2.9Å |
| 1104 | C | 86.9 | Confident | 87.5 | Confident | 16 Ų | 16 | 39.1 Ų | 39.1 | 11% | 0.108 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -62.9 | 146.5 | -178.8 | -171.8 | 0 | 0 | 0 | 0 | 112.8 | D1100 L1101 M1106 L1112 L1115 | D1100-C1104 PolarHBondContact O-N 3.45Å; L1101-C1104 WeakPolarHBondContact O-CB 3.35Å; L1101-C1104 PolarHBondContact O-N 3.06Å; L1101-C1104 VanDerWaalsContact O-N 3.17Å; C1104-M1106 HydrophobicContact CB-CE 4.01Å; C1104-M1106 HydrophobicContact CB-SD 4.37Å; C1104-M1106 PolarHBondContact O-N 3.26Å; C1104-L1112 HydrophobicContact CB-CD1 4.41Å; C1104-L1115 HydrophobicContact CB-CD2 3.56Å |
| 1105 | D | 80.3 | Confident | 87.4 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 39% | 0.39 | 21% | 0.206 | S | C | . | . | trans | -72 | 96.2 | 171.8 | -172.8 | 25.9 | 0 | 0 | 0 | 111.5 | K1107 | D1105-K1107 PolarHBondContact O-N 3Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.41Å; D1105-K1107 VanDerWaalsContact OD1-CG 3.24Å; D1105-K1107 WeakPolarHBondContact OD1-CG 3.29Å; D1105-K1107 PolarHBondContact OD1-N 3.27Å; D1105-K1107 IonicContact OD1-NZ 2.67Å; D1105-K1107 PolarHBondContact OD1-NZ 3.24Å; D1105-K1107 IonicContact OD2-NZ 3.78Å | ||
| 1106 | M | 81.8 | Confident | 87 | Confident | 27 Ų | 27 | 39.8 Ų | 39.8 | 13% | 0.133 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 4.9 | 178.7 | -56.6 | -56.1 | -180 | 0 | 0 | 114.3 | L1101 C1104 S1108 L1112 L1131 Y1134 I1169 W1173 | L1101-M1106 WeakPolarHBondContact O-CE 3.49Å; C1104-M1106 HydrophobicContact CB-CE 4.01Å; C1104-M1106 HydrophobicContact CB-SD 4.37Å; C1104-M1106 PolarHBondContact O-N 3.26Å; M1106-S1108 VanDerWaalsContact C-N 3.34Å; M1106-L1112 HydrophobicContact CE-CD1 4.21Å; M1106-L1112 HydrophobicContact SD-CD1 3.69Å; M1106-L1112 HydrophobicContact SD-CD2 4.02Å; M1106-L1112 HydrophobicContact SD-CG 4.4Å; M1106-L1131 HydrophobicContact CE-CD2 4.03Å; M1106-L1131 HydrophobicContact SD-CD2 4.39Å; M1106-Y1134 HydrophobicContact CB-CE1 4.34Å; M1106-Y1134 HydrophobicContact CE-CD2 3.85Å; M1106-Y1134 HydrophobicContact CE-CE2 3.63Å; M1106-Y1134 HydrophobicContact CE-CG 4.38Å; M1106-Y1134 HydrophobicContact CG-CD1 4.3Å; M1106-Y1134 HydrophobicContact CG-CE1 3.62Å; M1106-Y1134 HydrophobicContact CG-CE2 4.13Å; M1106-Y1134 VanDerWaalsContact CG-CZ 3.5Å; M1106-Y1134 WeakPolarHBondContact CG-OH 3.42Å; M1106-I1169 HydrophobicContact CE-CD1 4.33Å; M1106-I1169 HydrophobicContact CG-CD1 4.16Å; M1106-I1169 HydrophobicContact SD-CD1 3.78Å; M1106-W1173 WeakPolarHBondContact O-CZ3 3.16Å |
| 1107 | K | 78.2 | Confident | 86.4 | Confident | 168 Ų | 168 | 41 Ų | 41 | 73% | 0.73 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -18.7 | 174.6 | -62.6 | -178.1 | -149.5 | 84.3 | 0 | 113.6 | D1105 | D1105-K1107 PolarHBondContact O-N 3Å; D1105-K1107 WeakPolarHBondContact OD1-CB 3.41Å; D1105-K1107 VanDerWaalsContact OD1-CG 3.24Å; D1105-K1107 WeakPolarHBondContact OD1-CG 3.29Å; D1105-K1107 PolarHBondContact OD1-N 3.27Å; D1105-K1107 IonicContact OD1-NZ 2.67Å; D1105-K1107 PolarHBondContact OD1-NZ 3.24Å; D1105-K1107 IonicContact OD2-NZ 3.78Å |
| 1108 | S | 81.9 | Confident | 85.9 | Confident | 38 Ų | 38 | 45.6 Ų | 45.6 | 27% | 0.266 | 24% | 0.238 | S | C | . | . | trans | -130.2 | 119.5 | -175.8 | 175.1 | 0 | 0 | 0 | 0 | 111.5 | M1106 E1110 S1111 L1112 | M1106-S1108 VanDerWaalsContact C-N 3.34Å; S1108-E1110 PolarHBondContact O-N 2.94Å; S1108-E1110 PolarHBondContact OG-N 2.81Å; S1108-S1111 WeakPolarHBondContact CB-OG 3.35Å; S1108-S1111 PolarHBondContact O-N 3.45Å; S1108-S1111 PolarHBondContact OG-N 2.9Å; S1108-S1111 PolarHBondContact OG-OG 3.28Å; S1108-L1112 WeakPolarHBondContact O-CB 3.24Å; S1108-L1112 PolarHBondContact O-N 3Å | ||
| 1109 | V | 84 | Confident | 85.5 | Confident | 12 Ų | 12 | 46.1 Ų | 46.1 | 7% | 0.073 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.3 | -27.4 | 172.8 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | Y1113 W1173 F1176 V1177 V1344 | V1109-Y1113 WeakPolarHBondContact O-CB 3.32Å; V1109-Y1113 PolarHBondContact O-N 2.68Å; V1109-W1173 HydrophobicContact CB-CD2 3.68Å; V1109-W1173 HydrophobicContact CB-CE3 3.82Å; V1109-W1173 HydrophobicContact CB-CG 4.04Å; V1109-W1173 HydrophobicContact CB-CH2 4.5Å; V1109-W1173 HydrophobicContact CB-CZ2 4.38Å; V1109-W1173 HydrophobicContact CB-CZ3 4.22Å; V1109-W1173 HydrophobicContact CG2-CB 3.88Å; V1109-W1173 HydrophobicContact CG2-CD2 3.92Å; V1109-W1173 HydrophobicContact CG2-CE3 4.26Å; V1109-W1173 HydrophobicContact CG2-CG 3.73Å; V1109-F1176 HydrophobicContact CG2-CD1 3.95Å; V1109-F1176 HydrophobicContact CG2-CE1 4.42Å; V1109-V1177 HydrophobicContact CG2-CG2 4.38Å; V1109-V1344 HydrophobicContact CG1-CB 4.26Å; V1109-V1344 HydrophobicContact CG1-CG1 4.4Å; V1109-V1344 HydrophobicContact CG1-CG2 4.48Å |
| 1110 | E | 80.5 | Confident | 85 | Confident | 87 Ų | 87 | 50.4 Ų | 50.4 | 41% | 0.407 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -72.5 | -44 | 175.9 | -175.1 | 172 | 178.3 | 0 | 0 | 111.1 | S1108 Y1113 N1114 | S1108-E1110 PolarHBondContact O-N 2.94Å; S1108-E1110 PolarHBondContact OG-N 2.81Å; E1110-Y1113 PolarHBondContact O-N 3.31Å; E1110-N1114 WeakPolarHBondContact O-CB 3.35Å; E1110-N1114 PolarHBondContact O-N 2.89Å; E1110-N1114 PolarHBondContact O-ND2 3.17Å; E1110-N1114 VanDerWaalsContact O-ND2 3.16Å |
| 1111 | S | 80.1 | Confident | 84.7 | Confident | 54 Ų | 54 | 49.5 Ų | 49.5 | 38% | 0.378 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 174.4 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | S1108 N1114 L1115 | S1108-S1111 WeakPolarHBondContact CB-OG 3.35Å; S1108-S1111 PolarHBondContact O-N 3.45Å; S1108-S1111 PolarHBondContact OG-N 2.9Å; S1108-S1111 PolarHBondContact OG-OG 3.28Å; S1111-N1114 PolarHBondContact O-N 3.04Å; S1111-L1115 PolarHBondContact O-N 3.02Å |
| 1112 | L | 86.7 | Confident | 84.4 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.8 | -44 | 178.2 | -177.7 | 58.4 | 0 | 0 | 0 | 112.3 | L1101 C1104 M1106 S1108 T1116 L1131 V1177 | L1101-L1112 HydrophobicContact CD1-CD1 3.74Å; C1104-L1112 HydrophobicContact CB-CD1 4.41Å; M1106-L1112 HydrophobicContact CE-CD1 4.21Å; M1106-L1112 HydrophobicContact SD-CD1 3.69Å; M1106-L1112 HydrophobicContact SD-CD2 4.02Å; M1106-L1112 HydrophobicContact SD-CG 4.4Å; S1108-L1112 WeakPolarHBondContact O-CB 3.24Å; S1108-L1112 PolarHBondContact O-N 3Å; L1112-T1116 HydrophobicContact CD1-CG2 4Å; L1112-T1116 WeakPolarHBondContact O-CB 3.49Å; L1112-T1116 VanDerWaalsContact O-CG2 3.31Å; L1112-T1116 WeakPolarHBondContact O-CG2 3.49Å; L1112-T1116 PolarHBondContact O-N 3.33Å; L1112-T1116 PolarHBondContact O-OG1 3.48Å; L1112-L1131 HydrophobicContact CD1-CD2 4.01Å; L1112-L1131 HydrophobicContact CD2-CD1 4.34Å; L1112-L1131 HydrophobicContact CD2-CD2 4.21Å; L1112-V1177 HydrophobicContact CD2-CG2 4.19Å; L1112-V1177 HydrophobicContact CG-CG2 4.08Å |
| 1113 | Y | 87 | Confident | 84.1 | Confident | 57 Ų | 57 | 50.5 Ų | 50.5 | 22% | 0.224 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 176.2 | -176.7 | -85.5 | 0 | 0 | 0 | 111.7 | V1109 E1110 L1115 T1116 V1117 F1176 | V1109-Y1113 WeakPolarHBondContact O-CB 3.32Å; V1109-Y1113 PolarHBondContact O-N 2.68Å; E1110-Y1113 PolarHBondContact O-N 3.31Å; Y1113-L1115 PolarHBondContact O-N 3.22Å; Y1113-T1116 WeakPolarHBondContact CA-OG1 3.47Å; Y1113-T1116 PolarHBondContact O-N 2.81Å; Y1113-T1116 PolarHBondContact O-OG1 2.9Å; Y1113-T1116 VanDerWaalsContact O-OG1 3.13Å; Y1113-V1117 HydrophobicContact CD1-CG2 4.11Å; Y1113-V1117 HydrophobicContact CE1-CG2 3.79Å; Y1113-V1117 HydrophobicContact CE2-CG2 4.41Å; Y1113-V1117 WeakPolarHBondContact O-CB 3.33Å; Y1113-V1117 WeakPolarHBondContact O-CG2 3.28Å; Y1113-V1117 PolarHBondContact O-N 3.47Å; Y1113-F1176 AromaticContact CD2-CD1 3.87Å; Y1113-F1176 HydrophobicContact CD2-CD1 3.87Å; Y1113-F1176 AromaticContact CD2-CE1 3.32Å; Y1113-F1176 HydrophobicContact CD2-CE1 3.32Å; Y1113-F1176 AromaticContact CD2-CZ 3.89Å; Y1113-F1176 HydrophobicContact CD2-CZ 3.89Å; Y1113-F1176 HydrophobicContact CE2-CD1 4.43Å; Y1113-F1176 AromaticContact CE2-CE1 3.82Å; Y1113-F1176 HydrophobicContact CE2-CE1 3.82Å; Y1113-F1176 AromaticContact CE2-CZ 3.92Å; Y1113-F1176 HydrophobicContact CE2-CZ 3.92Å; Y1113-F1176 AromaticContact CG-CE1 3.96Å; Y1113-F1176 HydrophobicContact CG-CE1 3.96Å |
| 1114 | N | 84.7 | Confident | 83.9 | Confident | 88 Ų | 88 | 47.3 Ų | 47.3 | 47% | 0.471 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | -178.2 | -69.9 | -23.4 | 0 | 0 | 0 | 111.6 | E1110 S1111 | E1110-N1114 WeakPolarHBondContact O-CB 3.35Å; E1110-N1114 PolarHBondContact O-N 2.89Å; E1110-N1114 PolarHBondContact O-ND2 3.17Å; E1110-N1114 VanDerWaalsContact O-ND2 3.16Å; S1111-N1114 PolarHBondContact O-N 3.04Å |
| 1115 | L | 87.2 | Confident | 83.8 | Confident | 56 Ų | 56 | 52 Ų | 52 | 29% | 0.293 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.2 | -52 | 174.2 | -177.4 | 70.5 | 0 | 0 | 0 | 111.5 | C1104 S1111 Y1113 V1117 D1118 L1119 | C1104-L1115 HydrophobicContact CB-CD2 3.56Å; S1111-L1115 PolarHBondContact O-N 3.02Å; Y1113-L1115 PolarHBondContact O-N 3.22Å; L1115-V1117 VanDerWaalsContact C-N 3.31Å; L1115-V1117 PolarHBondContact O-N 2.85Å; L1115-D1118 PolarHBondContact O-N 3.08Å; L1115-L1119 HydrophobicContact CD1-CD2 4.39Å; L1115-L1119 HydrophobicContact CG-CD2 4.34Å; L1115-L1119 WeakPolarHBondContact O-CG 3.35Å |
| 1116 | T | 85.6 | Confident | 84.3 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.012 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | -172.2 | 47.5 | 0 | 0 | 0 | 0 | 114.1 | L1101 L1112 Y1113 D1118 L1119 V1127 V1177 | L1101-T1116 HydrophobicContact CD1-CG2 3.4Å; L1101-T1116 VanDerWaalsContact CD1-CG2 3.4Å; L1101-T1116 HydrophobicContact CD2-CG2 4.32Å; L1112-T1116 HydrophobicContact CD1-CG2 4Å; L1112-T1116 WeakPolarHBondContact O-CB 3.49Å; L1112-T1116 VanDerWaalsContact O-CG2 3.31Å; L1112-T1116 WeakPolarHBondContact O-CG2 3.49Å; L1112-T1116 PolarHBondContact O-N 3.33Å; L1112-T1116 PolarHBondContact O-OG1 3.48Å; Y1113-T1116 WeakPolarHBondContact CA-OG1 3.47Å; Y1113-T1116 PolarHBondContact O-N 2.81Å; Y1113-T1116 PolarHBondContact O-OG1 2.9Å; Y1113-T1116 VanDerWaalsContact O-OG1 3.13Å; T1116-D1118 VanDerWaalsContact C-N 3.26Å; T1116-D1118 PolarHBondContact O-N 2.77Å; T1116-L1119 HydrophobicContact CG2-CD1 4.26Å; T1116-L1119 PolarHBondContact O-N 3.22Å; T1116-V1127 HydrophobicContact CG2-CG1 4.02Å; T1116-V1177 HydrophobicContact CG2-CG1 3.9Å; T1116-V1177 VanDerWaalsContact OG1-CG1 3.29Å; T1116-V1177 WeakPolarHBondContact OG1-CG1 3.35Å |
| 1117 | V | 82.2 | Confident | 84.7 | Confident | 38 Ų | 38 | 47.3 Ų | 47.3 | 23% | 0.23 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.3 | -28.4 | 175.1 | 165.5 | 0 | 0 | 0 | 0 | 112.5 | Y1113 L1115 V1184 | Y1113-V1117 HydrophobicContact CD1-CG2 4.11Å; Y1113-V1117 HydrophobicContact CE1-CG2 3.79Å; Y1113-V1117 HydrophobicContact CE2-CG2 4.41Å; Y1113-V1117 WeakPolarHBondContact O-CB 3.33Å; Y1113-V1117 WeakPolarHBondContact O-CG2 3.28Å; Y1113-V1117 PolarHBondContact O-N 3.47Å; L1115-V1117 VanDerWaalsContact C-N 3.31Å; L1115-V1117 PolarHBondContact O-N 2.85Å; V1117-V1184 HydrophobicContact CG1-CG1 4.43Å; V1117-V1184 HydrophobicContact CG1-CG2 4.15Å |
| 1118 | D | 83.3 | Confident | 85.2 | Confident | 120 Ų | 120 | 42.4 Ų | 42.4 | 64% | 0.642 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -3.5 | 177.5 | -74.6 | -15.3 | 0 | 0 | 0 | 113.6 | L1115 T1116 V1120 | L1115-D1118 PolarHBondContact O-N 3.08Å; T1116-D1118 VanDerWaalsContact C-N 3.26Å; T1116-D1118 PolarHBondContact O-N 2.77Å; D1118-V1120 VanDerWaalsContact O-CG2 3.26Å; D1118-V1120 WeakPolarHBondContact O-CG2 3.37Å; D1118-V1120 PolarHBondContact O-N 3.34Å |
| 1119 | L | 85.4 | Confident | 85.4 | Confident | 12 Ų | 12 | 41.1 Ų | 41.1 | 6% | 0.063 | 21% | 0.213 | C | C | . | . | trans | -80.7 | 63.3 | -178.8 | -56.1 | -178.2 | 0 | 0 | 0 | 112.7 | Q1097 L1101 L1115 T1116 S1121 L1122 | Q1097-L1119 HydrophobicContact CB-CB 4.45Å; Q1097-L1119 HydrophobicContact CB-CD2 4.01Å; Q1097-L1119 HydrophobicContact CG-CD2 3.97Å; Q1097-L1119 PolarHBondContact OE1-O 3.26Å; L1101-L1119 HydrophobicContact CB-CD1 3.82Å; L1101-L1119 HydrophobicContact CD1-CD1 4.2Å; L1101-L1119 HydrophobicContact CD2-CD1 4.1Å; L1101-L1119 HydrophobicContact CG-CD1 4.26Å; L1115-L1119 HydrophobicContact CD1-CD2 4.39Å; L1115-L1119 HydrophobicContact CG-CD2 4.34Å; L1115-L1119 WeakPolarHBondContact O-CG 3.35Å; T1116-L1119 HydrophobicContact CG2-CD1 4.26Å; T1116-L1119 PolarHBondContact O-N 3.22Å; L1119-S1121 PolarHBondContact O-N 3.08Å; L1119-L1122 HydrophobicContact CB-CD1 4.26Å; L1119-L1122 HydrophobicContact CD1-CD1 3.89Å; L1119-L1122 PolarHBondContact O-N 2.81Å | ||
| 1120 | V | 83.2 | Confident | 85.7 | Confident | 91 Ų | 91 | 40.6 Ų | 40.6 | 55% | 0.552 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | -24.7 | -172.4 | -140.4 | 0 | 0 | 0 | 0 | 116.2 | D1118 I1188 | D1118-V1120 VanDerWaalsContact O-CG2 3.26Å; D1118-V1120 WeakPolarHBondContact O-CG2 3.37Å; D1118-V1120 PolarHBondContact O-N 3.34Å; V1120-I1188 HydrophobicContact CG1-CD1 3.67Å |
| 1121 | S | 85.3 | Confident | 86.1 | Confident | 24 Ų | 24 | 36.6 Ų | 36.6 | 17% | 0.168 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -15.9 | -177.3 | 72.1 | 0 | 0 | 0 | 0 | 114.7 | Q1093 R1094 Q1097 L1119 | Q1093-S1121 PolarHBondContact O-OG 2.72Å; R1094-S1121 VanDerWaalsContact CA-OG 3.3Å; R1094-S1121 WeakPolarHBondContact CA-OG 3.17Å; R1094-S1121 VanDerWaalsContact CZ-O 3.3Å; R1094-S1121 PolarHBondContact N-OG 2.83Å; R1094-S1121 PolarHBondContact NH1-O 3.09Å; Q1097-S1121 PolarHBondContact OE1-OG 2.9Å; L1119-S1121 PolarHBondContact O-N 3.08Å |
| 1122 | L | 86.9 | Confident | 86.4 | Confident | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.021 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -89.9 | 131.4 | 177.1 | -68.4 | 172.6 | 0 | 0 | 0 | 110.7 | F1039 R1094 Q1097 L1101 L1119 Q1126 V1127 I1130 | F1039-L1122 HydrophobicContact CE2-CD2 3.56Å; F1039-L1122 HydrophobicContact CZ-CD2 3.83Å; R1094-L1122 HydrophobicContact CG-CD2 3.58Å; R1094-L1122 HydrophobicContact CG-CG 4.48Å; Q1097-L1122 HydrophobicContact CB-CD1 4.18Å; Q1097-L1122 HydrophobicContact CB-CG 4.3Å; L1101-L1122 HydrophobicContact CD2-CD1 4.28Å; L1119-L1122 HydrophobicContact CB-CD1 4.26Å; L1119-L1122 HydrophobicContact CD1-CD1 3.89Å; L1119-L1122 PolarHBondContact O-N 2.81Å; L1122-Q1126 HydrophobicContact CD2-CB 4.32Å; L1122-V1127 HydrophobicContact CB-CG2 3.78Å; L1122-V1127 HydrophobicContact CD1-CG2 4.28Å; L1122-I1130 HydrophobicContact CD1-CD1 4.33Å; L1122-I1130 HydrophobicContact CD2-CD1 4.3Å |
| 1123 | N | 85.4 | Confident | 86.4 | Confident | 18 Ų | 18 | 40.5 Ų | 40.5 | 10% | 0.096 | 21% | 0.206 | C | C | . | . | trans | -79.8 | 159.9 | 173.6 | 79.7 | 49.2 | 0 | 0 | 0 | 111.6 | R1125 Q1126 V1127 L1221 E1222 | N1123-R1125 PolarHBondContact O-N 2.78Å; N1123-R1125 VanDerWaalsContact O-N 3.1Å; N1123-R1125 WeakPolarHBondContact OD1-CA 3.48Å; N1123-R1125 WeakPolarHBondContact OD1-CB 3.39Å; N1123-R1125 PolarHBondContact OD1-N 3.48Å; N1123-Q1126 VanDerWaalsContact N-OE1 3.13Å; N1123-Q1126 VanDerWaalsContact ND2-CD 3.28Å; N1123-Q1126 PolarHBondContact ND2-NE2 2.87Å; N1123-Q1126 WeakPolarHBondContact O-CB 3.29Å; N1123-Q1126 PolarHBondContact O-N 2.94Å; N1123-Q1126 PolarHBondContact OD1-N 2.79Å; N1123-V1127 PolarHBondContact O-N 3.35Å; N1123-L1221 HydrophobicContact CB-CD2 4.34Å; N1123-E1222 PolarHBondContact ND2-O 3.26Å | ||
| 1124 | S | 85.6 | Confident | 86.3 | Confident | 8 Ų | 8 | 38.7 Ų | 38.7 | 6% | 0.056 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -56.3 | -30.3 | -176 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | Q1128 | S1124-Q1128 PolarHBondContact O-N 3.3Å; S1124-Q1128 VanDerWaalsContact O-N 3.11Å |
| 1125 | R | 85.2 | Confident | 86 | Confident | 115 Ų | 115 | 38.4 Ų | 38.4 | 43% | 0.434 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -80.6 | -33.3 | 177.1 | -163.9 | 174.9 | -171.6 | 176 | 3.8 | 113 | N1123 Q1128 I1129 V1223 | N1123-R1125 PolarHBondContact O-N 2.78Å; N1123-R1125 VanDerWaalsContact O-N 3.1Å; N1123-R1125 WeakPolarHBondContact OD1-CA 3.48Å; N1123-R1125 WeakPolarHBondContact OD1-CB 3.39Å; N1123-R1125 PolarHBondContact OD1-N 3.48Å; R1125-Q1128 WeakPolarHBondContact O-CB 3.44Å; R1125-Q1128 PolarHBondContact O-N 2.93Å; R1125-I1129 HydrophobicContact CG-CD1 4.15Å; R1125-I1129 WeakPolarHBondContact O-CD1 3.15Å; R1125-I1129 WeakPolarHBondContact O-CG1 3.21Å; R1125-I1129 PolarHBondContact O-N 3.3Å; R1125-V1223 HydrophobicContact CG-CG2 4.17Å |
| 1126 | Q | 90.2 | Very high | 85 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.1 | -45 | 171.7 | -74.2 | 169 | -10.6 | 0 | 0 | 111.1 | F1039 L1122 N1123 Q1128 I1129 I1130 V1223 | F1039-Q1126 HydrophobicContact CE1-CG 4.02Å; F1039-Q1126 HydrophobicContact CZ-CB 4.04Å; F1039-Q1126 HydrophobicContact CZ-CG 3.75Å; L1122-Q1126 HydrophobicContact CD2-CB 4.32Å; N1123-Q1126 VanDerWaalsContact N-OE1 3.13Å; N1123-Q1126 VanDerWaalsContact ND2-CD 3.28Å; N1123-Q1126 PolarHBondContact ND2-NE2 2.87Å; N1123-Q1126 WeakPolarHBondContact O-CB 3.29Å; N1123-Q1126 PolarHBondContact O-N 2.94Å; N1123-Q1126 PolarHBondContact OD1-N 2.79Å; Q1126-Q1128 VanDerWaalsContact C-N 3.33Å; Q1126-Q1128 PolarHBondContact O-N 3Å; Q1126-I1129 PolarHBondContact O-N 3.05Å; Q1126-I1130 VanDerWaalsContact O-CG1 3.3Å; Q1126-I1130 WeakPolarHBondContact O-CG1 3.45Å; Q1126-I1130 PolarHBondContact O-N 2.99Å; Q1126-V1223 VanDerWaalsContact CG-O 3.25Å; Q1126-V1223 WeakPolarHBondContact CG-O 3.13Å; Q1126-V1223 PolarHBondContact NE2-O 2.8Å |
| 1127 | V | 89.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 172.6 | 176.6 | 0 | 0 | 0 | 0 | 110.8 | L1101 T1116 L1122 N1123 I1129 I1130 L1131 V1177 V1181 | L1101-V1127 HydrophobicContact CD2-CG1 4.21Å; T1116-V1127 HydrophobicContact CG2-CG1 4.02Å; L1122-V1127 HydrophobicContact CB-CG2 3.78Å; L1122-V1127 HydrophobicContact CD1-CG2 4.28Å; N1123-V1127 PolarHBondContact O-N 3.35Å; V1127-I1129 PolarHBondContact O-N 2.81Å; V1127-I1130 PolarHBondContact O-N 3.42Å; V1127-L1131 HydrophobicContact CG1-CD1 3.87Å; V1127-L1131 HydrophobicContact CG1-CG 4.38Å; V1127-L1131 WeakPolarHBondContact O-CG 3.39Å; V1127-L1131 PolarHBondContact O-N 3.32Å; V1127-V1177 HydrophobicContact CG1-CG1 4.32Å; V1127-V1181 HydrophobicContact CG1-CG2 4.38Å; V1127-V1181 HydrophobicContact CG2-CG1 4.3Å |
| 1128 | Q | 89.6 | Confident | 81.4 | Confident | 66 Ų | 66 | 44.3 Ų | 44.3 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.6 | -51.8 | 176.5 | -176 | 175 | -4.7 | 0 | 0 | 112 | S1124 R1125 Q1126 I1130 L1131 E1132 I1174 V1178 | S1124-Q1128 PolarHBondContact O-N 3.3Å; S1124-Q1128 VanDerWaalsContact O-N 3.11Å; R1125-Q1128 WeakPolarHBondContact O-CB 3.44Å; R1125-Q1128 PolarHBondContact O-N 2.93Å; Q1126-Q1128 VanDerWaalsContact C-N 3.33Å; Q1126-Q1128 PolarHBondContact O-N 3Å; Q1128-I1130 PolarHBondContact O-N 2.85Å; Q1128-L1131 PolarHBondContact O-N 2.82Å; Q1128-E1132 HydrophobicContact CG-CG 4.2Å; Q1128-E1132 WeakPolarHBondContact CG-OE1 3.32Å; Q1128-E1132 PolarHBondContact NE2-OE1 3.19Å; Q1128-E1132 WeakPolarHBondContact O-CB 3.28Å; Q1128-E1132 WeakPolarHBondContact O-CG 3.16Å; Q1128-E1132 PolarHBondContact O-N 3.42Å; Q1128-I1174 HydrophobicContact CG-CG2 4.29Å; Q1128-V1178 HydrophobicContact CB-CG1 4.27Å; Q1128-V1178 HydrophobicContact CB-CG2 3.63Å; Q1128-V1178 HydrophobicContact CG-CG2 4.17Å |
| 1129 | I | 86.1 | Confident | 79 | Confident | 10 Ų | 10 | 41.1 Ų | 41.1 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.3 | -36.5 | -175.9 | -66 | 159.8 | 0 | 0 | 0 | 111.7 | I1043 L1052 R1125 Q1126 V1127 L1131 E1132 N1133 V1223 | I1043-I1129 HydrophobicContact CG2-CG2 3.92Å; L1052-I1129 HydrophobicContact CD1-CD1 3.93Å; L1052-I1129 HydrophobicContact CD1-CG1 4.44Å; L1052-I1129 HydrophobicContact CD2-CG2 4.33Å; R1125-I1129 HydrophobicContact CG-CD1 4.15Å; R1125-I1129 WeakPolarHBondContact O-CD1 3.15Å; R1125-I1129 WeakPolarHBondContact O-CG1 3.21Å; R1125-I1129 PolarHBondContact O-N 3.3Å; Q1126-I1129 PolarHBondContact O-N 3.05Å; V1127-I1129 PolarHBondContact O-N 2.81Å; I1129-L1131 VanDerWaalsContact C-N 3.3Å; I1129-L1131 PolarHBondContact O-N 2.85Å; I1129-E1132 PolarHBondContact O-N 2.87Å; I1129-N1133 WeakPolarHBondContact O-CB 3.18Å; I1129-N1133 PolarHBondContact O-N 3.05Å; I1129-V1223 HydrophobicContact CD1-CB 4.21Å; I1129-V1223 HydrophobicContact CD1-CG1 3.47Å; I1129-V1223 VanDerWaalsContact CD1-CG1 3.47Å; I1129-V1223 HydrophobicContact CD1-CG2 3.7Å |
| 1130 | I | 89.8 | Confident | 76.2 | Confident | 2 Ų | 2 | 45.2 Ų | 45.2 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.3 | -38.9 | 174 | -68 | 166.2 | 0 | 0 | 0 | 110.8 | F1039 I1043 I1059 A1098 L1101 M1102 L1122 Q1126 V1127 Q1128 Y1134 | F1039-I1130 HydrophobicContact CE2-CD1 4.37Å; I1043-I1130 HydrophobicContact CD1-CD1 4.39Å; I1043-I1130 HydrophobicContact CD1-CG1 4.19Å; I1043-I1130 HydrophobicContact CG1-CG1 4.36Å; I1059-I1130 HydrophobicContact CG2-CG2 4.07Å; I1059-I1130 WeakPolarHBondContact CG2-O 3.45Å; A1098-I1130 HydrophobicContact CB-CD1 4.06Å; L1101-I1130 HydrophobicContact CD2-CB 4.2Å; L1101-I1130 HydrophobicContact CD2-CD1 4.42Å; L1101-I1130 HydrophobicContact CD2-CG2 3.76Å; L1101-I1130 HydrophobicContact CG-CG2 4.07Å; M1102-I1130 HydrophobicContact CG-CG2 4.15Å; L1122-I1130 HydrophobicContact CD1-CD1 4.33Å; L1122-I1130 HydrophobicContact CD2-CD1 4.3Å; Q1126-I1130 VanDerWaalsContact O-CG1 3.3Å; Q1126-I1130 WeakPolarHBondContact O-CG1 3.45Å; Q1126-I1130 PolarHBondContact O-N 2.99Å; V1127-I1130 PolarHBondContact O-N 3.42Å; Q1128-I1130 PolarHBondContact O-N 2.85Å; I1130-Y1134 WeakPolarHBondContact O-CB 3.46Å; I1130-Y1134 PolarHBondContact O-N 3.3Å |
| 1131 | L | 89.6 | Confident | 73.7 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -79.3 | -33.6 | 178.9 | -63 | 177.2 | 0 | 0 | 0 | 113.6 | L1101 M1106 L1112 V1127 Q1128 I1129 I1169 I1174 V1177 | L1101-L1131 HydrophobicContact CD1-CD2 4.2Å; L1101-L1131 HydrophobicContact CG-CD2 4.46Å; M1106-L1131 HydrophobicContact CE-CD2 4.03Å; M1106-L1131 HydrophobicContact SD-CD2 4.39Å; L1112-L1131 HydrophobicContact CD1-CD2 4.01Å; L1112-L1131 HydrophobicContact CD2-CD1 4.34Å; L1112-L1131 HydrophobicContact CD2-CD2 4.21Å; V1127-L1131 HydrophobicContact CG1-CD1 3.87Å; V1127-L1131 HydrophobicContact CG1-CG 4.38Å; V1127-L1131 WeakPolarHBondContact O-CG 3.39Å; V1127-L1131 PolarHBondContact O-N 3.32Å; Q1128-L1131 PolarHBondContact O-N 2.82Å; I1129-L1131 VanDerWaalsContact C-N 3.3Å; I1129-L1131 PolarHBondContact O-N 2.85Å; L1131-I1169 HydrophobicContact CB-CD1 4.38Å; L1131-I1169 HydrophobicContact CD2-CD1 3.86Å; L1131-I1174 HydrophobicContact CB-CD1 4.2Å; L1131-I1174 HydrophobicContact CB-CG1 4.08Å; L1131-I1174 HydrophobicContact CB-CG2 4.06Å; L1131-I1174 HydrophobicContact CD1-CG2 4.47Å; L1131-V1177 HydrophobicContact CD1-CB 4.43Å; L1131-V1177 HydrophobicContact CD1-CG1 3.8Å |
| 1132 | E | 86.8 | Confident | 71.1 | Confident | 80 Ų | 80 | 53.9 Ų | 53.9 | 37% | 0.374 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.9 | -34.9 | 176.5 | -75.5 | 177.1 | 167.1 | 0 | 0 | 112.4 | Q1128 I1129 I1174 | Q1128-E1132 HydrophobicContact CG-CG 4.2Å; Q1128-E1132 WeakPolarHBondContact CG-OE1 3.32Å; Q1128-E1132 PolarHBondContact NE2-OE1 3.19Å; Q1128-E1132 WeakPolarHBondContact O-CB 3.28Å; Q1128-E1132 WeakPolarHBondContact O-CG 3.16Å; Q1128-E1132 PolarHBondContact O-N 3.42Å; I1129-E1132 PolarHBondContact O-N 2.87Å; E1132-I1174 HydrophobicContact CG-CD1 3.99Å; E1132-I1174 HydrophobicContact CG-CG2 4.32Å |
| 1133 | N | 85.1 | Confident | 68.4 | Low | 55 Ų | 55 | 57.6 Ų | 57.6 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 4.5 | 179.7 | -70.8 | -18 | 0 | 0 | 0 | 114 | S1056 I1059 I1129 Q1135 | S1056-N1133 PolarHBondContact OG-ND2 3.47Å; I1059-N1133 HydrophobicContact CD1-CB 3.58Å; I1129-N1133 WeakPolarHBondContact O-CB 3.18Å; I1129-N1133 PolarHBondContact O-N 3.05Å; N1133-Q1135 PolarHBondContact O-N 2.91Å |
| 1134 | Y | 85.9 | Confident | 65.9 | Low | 20 Ų | 20 | 60.1 Ų | 60.1 | 8% | 0.078 | 32% | 0.319 | C | S | . | . | trans | -67.3 | 121.2 | -177.3 | 177.5 | -89.9 | 0 | 0 | 0 | 112.3 | P1061 M1106 I1130 L1136 I1169 | P1061-Y1134 HydrophobicContact CG-CE2 3.93Å; P1061-Y1134 WeakPolarHBondContact CG-OH 3.44Å; M1106-Y1134 HydrophobicContact CB-CE1 4.34Å; M1106-Y1134 HydrophobicContact CE-CD2 3.85Å; M1106-Y1134 HydrophobicContact CE-CE2 3.63Å; M1106-Y1134 HydrophobicContact CE-CG 4.38Å; M1106-Y1134 HydrophobicContact CG-CD1 4.3Å; M1106-Y1134 HydrophobicContact CG-CE1 3.62Å; M1106-Y1134 HydrophobicContact CG-CE2 4.13Å; M1106-Y1134 VanDerWaalsContact CG-CZ 3.5Å; M1106-Y1134 WeakPolarHBondContact CG-OH 3.42Å; I1130-Y1134 WeakPolarHBondContact O-CB 3.46Å; I1130-Y1134 PolarHBondContact O-N 3.3Å; Y1134-L1136 HydrophobicContact CE1-CD1 3.82Å; Y1134-I1169 HydrophobicContact CD1-CD1 3.91Å; Y1134-I1169 HydrophobicContact CD1-CG1 4.18Å; Y1134-I1169 HydrophobicContact CG-CD1 4.1Å | ||
| 1135 | Q | 78.7 | Confident | 63.2 | Low | 81 Ų | 81 | 67.8 Ų | 67.8 | 38% | 0.379 | 35% | 0.354 | S | S | . | . | trans | -110.6 | 118.6 | -178.1 | -67.1 | 176.8 | 13.2 | 0 | 0 | 111.8 | I1059 S1060 P1061 N1133 | I1059-Q1135 PolarHBondContact O-N 2.9Å; S1060-Q1135 WeakPolarHBondContact CB-O 3.33Å; P1061-Q1135 WeakPolarHBondContact CD-O 3.37Å; N1133-Q1135 PolarHBondContact O-N 2.91Å | ||
| 1136 | L | 65.7 | Low | 60.6 | Low | 86 Ų | 86 | 68.6 Ų | 68.6 | 45% | 0.45 | 37% | 0.366 | S | S | . | . | trans | -82 | 123.3 | 163.9 | -143.1 | 81.2 | 0 | 0 | 0 | 108.6 | Y1134 N1138 | Y1134-L1136 HydrophobicContact CE1-CD1 3.82Å; L1136-N1138 PolarHBondContact O-N 3.27Å; L1136-N1138 VanDerWaalsContact O-N 3.1Å | ||
| 1137 | I | 52.5 | Low | 57.8 | Low | 65 Ų | 65 | 75 Ų | 75 | 33% | 0.333 | 40% | 0.399 | S | S | . | . | trans | -77 | 102.1 | -177.2 | -65.2 | 168.2 | 0 | 0 | 0 | 109.2 | I1062 | I1062-I1137 HydrophobicContact CB-CD1 4.42Å; I1062-I1137 HydrophobicContact CD1-CD1 3.56Å; I1062-I1137 HydrophobicContact CG1-CD1 3.93Å | ||
| 1138 | N | 39.5 | Very low | 55 | Low | 69 Ų | 69 | 83.4 Ų | 83.4 | 37% | 0.369 | 44% | 0.438 | S | S | . | . | trans | -107.1 | 157.7 | 175.7 | -89.5 | 1.1 | 0 | 0 | 0 | 112.2 | Y938 L1136 N1140 Q1167 | Y938-N1138 PolarHBondContact OH-O 3.44Å; L1136-N1138 PolarHBondContact O-N 3.27Å; L1136-N1138 VanDerWaalsContact O-N 3.1Å; N1138-N1140 PolarHBondContact O-N 2.91Å; N1138-N1140 VanDerWaalsContact O-N 3.11Å; N1138-Q1167 PolarHBondContact ND2-NE2 2.93Å | ||
| 1139 | A | 31.9 | Very low | 52 | Low | 53 Ų | 53 | 87.5 Ų | 87.5 | 44% | 0.438 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -86.4 | 26.9 | -154.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | Y938 | Y938-A1139 HydrophobicContact CE1-CB 4.05Å; Y938-A1139 WeakPolarHBondContact CE1-O 3.18Å; Y938-A1139 VanDerWaalsContact OH-CA 3.31Å; Y938-A1139 WeakPolarHBondContact OH-CA 3.49Å |
| 1140 | N | 28 | Very low | 49.1 | Very low | 98 Ų | 98 | 91 Ų | 91 | 52% | 0.524 | 49% | 0.488 | S | S | . | . | trans | -114.8 | 9.9 | -161.4 | -72.6 | 30.9 | 0 | 0 | 0 | 116.2 | Y938 N1138 E1142 T1143 | Y938-N1140 PolarHBondContact OH-N 3.18Å; N1138-N1140 PolarHBondContact O-N 2.91Å; N1138-N1140 VanDerWaalsContact O-N 3.11Å; N1140-E1142 PolarHBondContact O-N 3.16Å; N1140-E1142 VanDerWaalsContact O-N 3.1Å; N1140-T1143 PolarHBondContact O-N 3.47Å; N1140-T1143 PolarHBondContact O-OG1 3.31Å | ||
| 1141 | N | 30.2 | Very low | 46.3 | Very low | 136 Ų | 136 | 100.4 Ų | 100.4 | 73% | 0.727 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -68.6 | -11.4 | -169.8 | -81.4 | 9.7 | 0 | 0 | 0 | 116.2 | T1143 | N1141-T1143 VanDerWaalsContact C-N 3.25Å; N1141-T1143 PolarHBondContact O-N 3.01Å |
| 1142 | E | 30.8 | Very low | 43.2 | Very low | 162 Ų | 162 | 105.6 Ų | 105.6 | 76% | 0.757 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -74 | -14.2 | 169.5 | -65.8 | -171.1 | 148.6 | 0 | 0 | 113.2 | N1140 A1144 | N1140-E1142 PolarHBondContact O-N 3.16Å; N1140-E1142 VanDerWaalsContact O-N 3.1Å; E1142-A1144 VanDerWaalsContact C-N 3.27Å; E1142-A1144 PolarHBondContact O-N 2.86Å |
| 1143 | T | 30.1 | Very low | 40.4 | Very low | 81 Ų | 81 | 108 Ų | 108 | 50% | 0.497 | 59% | 0.593 | S | S | . | * | G | 310 helix | trans | -78.7 | -7.2 | 179.1 | 59.5 | 0 | 0 | 0 | 0 | 114 | N1140 N1141 I1147 | N1140-T1143 PolarHBondContact O-N 3.47Å; N1140-T1143 PolarHBondContact O-OG1 3.31Å; N1141-T1143 VanDerWaalsContact C-N 3.25Å; N1141-T1143 PolarHBondContact O-N 3.01Å; T1143-I1147 WeakPolarHBondContact O-CD1 3.47Å; T1143-I1147 WeakPolarHBondContact O-CG1 3.4Å |
| 1144 | A | 31.9 | Very low | 37.6 | Very low | 72 Ų | 72 | 108.6 Ų | 108.6 | 60% | 0.595 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -36 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | E1142 | E1142-A1144 VanDerWaalsContact C-N 3.27Å; E1142-A1144 PolarHBondContact O-N 2.86Å |
| 1145 | E | 29.7 | Very low | 34.7 | Very low | 168 Ų | 168 | 114.6 Ų | 114.6 | 79% | 0.785 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -24.6 | -177 | -66.2 | -163 | 124.8 | 0 | 0 | 113.5 | ||
| 1146 | L | 29.8 | Very low | 32.4 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 70% | 0.696 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -77.5 | -16.5 | 178.8 | -78.1 | 168.6 | 0 | 0 | 0 | 114.2 | ||
| 1147 | I | 32.9 | Very low | 30.7 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 69% | 0.687 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -82.7 | -17.8 | -178.6 | -68.7 | 176.6 | 0 | 0 | 0 | 112.8 | T1143 N1149 | T1143-I1147 WeakPolarHBondContact O-CD1 3.47Å; T1143-I1147 WeakPolarHBondContact O-CG1 3.4Å; I1147-N1149 PolarHBondContact O-N 2.9Å |
| 1148 | Q | 30.6 | Very low | 29.4 | Very low | 178 Ų | 178 | 125.6 Ų | 125.6 | 83% | 0.832 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -79.1 | -11.7 | 178.1 | -71.7 | -163 | -1.3 | 0 | 0 | 115.1 | ||
| 1149 | N | 26.5 | Very low | 28.8 | Very low | 152 Ų | 152 | 129.6 Ų | 129.6 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -109 | 4.5 | -172.9 | -81.7 | -51.2 | 0 | 0 | 0 | 115.6 | I1147 | I1147-N1149 PolarHBondContact O-N 2.9Š|
| 1150 | S | 26.1 | Very low | 28.6 | Very low | 84 Ų | 84 | 136 Ų | 136 | 59% | 0.587 | 76% | 0.757 | S | S | * | * | trans | -150 | 80.9 | -178.8 | 62.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1151 | Q | 29.2 | Very low | 28.6 | Very low | 198 Ų | 198 | 134.7 Ų | 134.7 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | trans | -162 | 91.5 | 144.5 | -114.4 | 172.7 | 57.8 | 0 | 0 | 112.7 | ||||
| 1152 | S | 25.9 | Very low | 28.5 | Very low | 113 Ų | 113 | 133.4 Ų | 133.4 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -120.3 | 111 | 159.5 | 55.5 | 0 | 0 | 0 | 0 | 109 | ||
| 1153 | S | 26.3 | Very low | 28.5 | Very low | 129 Ų | 129 | 133.4 Ų | 133.4 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 70.5 | 134.4 | -177.2 | -41 | 0 | 0 | 0 | 0 | 116 | ||
| 1154 | G | 27 | Very low | 28.6 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | trans | 140.3 | 92.3 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114 | I1156 | G1154-I1156 PolarHBondContact O-N 2.82Š| ||
| 1155 | T | 26.4 | Very low | 28.8 | Very low | 146 Ų | 146 | 139 Ų | 139 | 90% | 0.896 | 77% | 0.769 | S | S | * | * | trans | -77.2 | 113.1 | 174.3 | 47.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1156 | I | 28.8 | Very low | 29.2 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | trans | -135.7 | 134.2 | 158.4 | -60 | -177.5 | 0 | 0 | 0 | 108.2 | G1154 | G1154-I1156 PolarHBondContact O-N 2.82Š| ||
| 1157 | T | 29.6 | Very low | 30.3 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 82% | 0.822 | 76% | 0.759 | S | S | * | * | trans | -102.3 | 116.9 | 176.8 | 50.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1158 | M | 26 | Very low | 31.8 | Very low | 172 Ų | 172 | 139 Ų | 139 | 85% | 0.847 | 76% | 0.762 | S | S | * | * | trans | -147.5 | 156.7 | 165.2 | -80.2 | -59.8 | -178.9 | 0 | 0 | 109.9 | E1160 | M1158-E1160 PolarHBondContact O-N 2.84Š| ||
| 1159 | D | 26.5 | Very low | 34 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | trans | -76.1 | 116.7 | -173.2 | -68 | -66.3 | 0 | 0 | 0 | 113.7 | ||||
| 1160 | E | 27.9 | Very low | 36.7 | Very low | 188 Ų | 188 | 126.5 Ų | 126.5 | 88% | 0.879 | 70% | 0.704 | S | S | * | * | trans | -109.6 | 18 | -179.4 | -154.7 | 170 | -128.5 | 0 | 0 | 113.3 | M1158 | M1158-E1160 PolarHBondContact O-N 2.84Š| ||
| 1161 | S | 29.1 | Very low | 39.4 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 49% | 0.49 | 71% | 0.709 | S | S | . | * | trans | -94.4 | -5.2 | -166.2 | 54.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1162 | N | 28.1 | Very low | 41.8 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -116 | 3.8 | -163.4 | -81.4 | -45.9 | 0 | 0 | 0 | 117 | ||
| 1163 | L | 30.2 | Very low | 44.8 | Very low | 162 Ų | 162 | 120 Ų | 120 | 85% | 0.848 | 65% | 0.649 | S | S | * | * | S | Bend | trans | -106.8 | -9.4 | -178.4 | -121.5 | 74.5 | 0 | 0 | 0 | 115.8 | ||
| 1164 | T | 33 | Very low | 47.7 | Very low | 116 Ų | 116 | 114.2 Ų | 114.2 | 71% | 0.712 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -92.1 | -8 | -172.9 | 47 | 0 | 0 | 0 | 0 | 115 | ||
| 1165 | Q | 36.2 | Very low | 50.5 | Low | 154 Ų | 154 | 117.3 Ų | 117.3 | 72% | 0.72 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -3.6 | -170 | -63.4 | -171.1 | 8.9 | 0 | 0 | 115.8 | ||
| 1166 | Q | 38.3 | Very low | 53.4 | Low | 185 Ų | 185 | 113.1 Ų | 113.1 | 86% | 0.864 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 9.6 | -172.7 | -70.9 | -169.2 | -18.2 | 0 | 0 | 115.8 | ||
| 1167 | Q | 52.1 | Low | 56.1 | Low | 88 Ų | 88 | 105.6 Ų | 105.6 | 41% | 0.411 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -122.1 | -6.5 | -170.1 | -57.2 | -167.5 | 16 | 0 | 0 | 116.3 | N1138 | N1138-Q1167 PolarHBondContact ND2-NE2 2.93Š|
| 1168 | Q | 63.3 | Low | 58.9 | Low | 162 Ų | 162 | 100 Ų | 100 | 76% | 0.757 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -116.5 | 145.7 | 175.7 | -73.4 | -174.4 | -23.4 | 0 | 0 | 110.9 | ||
| 1169 | I | 78.8 | Confident | 61.6 | Low | 20 Ų | 20 | 93.4 Ų | 93.4 | 10% | 0.103 | 47% | 0.471 | C | S | . | . | trans | -62 | 127.5 | 172.6 | -56.9 | 178.5 | 0 | 0 | 0 | 107.8 | M1106 L1131 Y1134 R1171 W1173 I1174 | M1106-I1169 HydrophobicContact CE-CD1 4.33Å; M1106-I1169 HydrophobicContact CG-CD1 4.16Å; M1106-I1169 HydrophobicContact SD-CD1 3.78Å; L1131-I1169 HydrophobicContact CB-CD1 4.38Å; L1131-I1169 HydrophobicContact CD2-CD1 3.86Å; Y1134-I1169 HydrophobicContact CD1-CD1 3.91Å; Y1134-I1169 HydrophobicContact CD1-CG1 4.18Å; Y1134-I1169 HydrophobicContact CG-CD1 4.1Å; I1169-R1171 PolarHBondContact O-N 2.94Å; I1169-W1173 HydrophobicContact CG2-CB 4.17Å; I1169-W1173 HydrophobicContact CG2-CE3 4.35Å; I1169-I1174 HydrophobicContact CB-CD1 4.25Å; I1169-I1174 HydrophobicContact CB-CG1 4.22Å; I1169-I1174 HydrophobicContact CG2-CD1 4.35Å; I1169-I1174 HydrophobicContact CG2-CG1 3.76Å | ||
| 1170 | P | 82.3 | Confident | 64.1 | Low | 49 Ų | 49 | 86.3 Ų | 86.3 | 32% | 0.318 | 43% | 0.434 | S | S | . | . | trans | -57.3 | 130.2 | -178.3 | -25.8 | 34.2 | 0 | 0 | 0 | 111.4 | A1172 W1173 I1174 W1308 | P1170-A1172 PolarHBondContact O-N 3.46Å; P1170-A1172 VanDerWaalsContact O-N 3.09Å; P1170-W1173 HydrophobicContact CB-CB 4.48Å; P1170-W1173 HydrophobicContact CB-CD2 4.45Å; P1170-W1173 HydrophobicContact CB-CG 4.05Å; P1170-W1173 HydrophobicContact CG-CD2 4.04Å; P1170-W1173 HydrophobicContact CG-CG 4.17Å; P1170-W1173 WeakPolarHBondContact O-CA 3.45Å; P1170-W1173 VanDerWaalsContact O-CB 3.3Å; P1170-W1173 WeakPolarHBondContact O-CB 3.44Å; P1170-W1173 PolarHBondContact O-N 3.36Å; P1170-I1174 PolarHBondContact O-N 3.03Å; P1170-W1308 HydrophobicContact CB-CH2 4.18Å; P1170-W1308 HydrophobicContact CB-CZ3 4.32Å | ||
| 1171 | R | 82 | Confident | 66.7 | Low | 186 Ų | 186 | 77.6 Ų | 77.6 | 70% | 0.702 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -52 | -38.8 | -177.8 | -79 | -171 | 174.3 | -134.3 | -2.3 | 113.5 | I1169 W1173 I1174 E1175 | I1169-R1171 PolarHBondContact O-N 2.94Å; R1171-W1173 VanDerWaalsContact C-N 3.28Å; R1171-W1173 PolarHBondContact O-N 3.35Å; R1171-I1174 WeakPolarHBondContact O-CB 3.35Å; R1171-I1174 PolarHBondContact O-N 2.77Å; R1171-I1174 VanDerWaalsContact O-N 3.1Å; R1171-E1175 WeakPolarHBondContact O-CG 3.1Å; R1171-E1175 PolarHBondContact O-N 3.12Å |
| 1172 | A | 80.9 | Confident | 69.1 | Low | 39 Ų | 39 | 79.8 Ų | 79.8 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.8 | -25.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1170 F1176 W1308 | P1170-A1172 PolarHBondContact O-N 3.46Å; P1170-A1172 VanDerWaalsContact O-N 3.09Å; A1172-F1176 VanDerWaalsContact O-CB 3.24Å; A1172-F1176 WeakPolarHBondContact O-CB 3.28Å; A1172-F1176 PolarHBondContact O-N 2.91Å; A1172-F1176 VanDerWaalsContact O-N 3.09Å; A1172-W1308 HydrophobicContact CB-CD2 4.47Å; A1172-W1308 HydrophobicContact CB-CE3 3.85Å; A1172-W1308 HydrophobicContact CB-CH2 4.07Å; A1172-W1308 HydrophobicContact CB-CZ3 3.64Å |
| 1173 | W | 88.3 | Confident | 71.2 | Confident | 33 Ų | 33 | 79.1 Ų | 79.1 | 13% | 0.125 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -71.5 | -43.8 | 169 | -67.7 | 14.9 | 0 | 0 | 0 | 110.6 | M1106 V1109 I1169 P1170 R1171 F1176 V1177 W1308 L1346 | M1106-W1173 WeakPolarHBondContact O-CZ3 3.16Å; V1109-W1173 HydrophobicContact CB-CD2 3.68Å; V1109-W1173 HydrophobicContact CB-CE3 3.82Å; V1109-W1173 HydrophobicContact CB-CG 4.04Å; V1109-W1173 HydrophobicContact CB-CH2 4.5Å; V1109-W1173 HydrophobicContact CB-CZ2 4.38Å; V1109-W1173 HydrophobicContact CB-CZ3 4.22Å; V1109-W1173 HydrophobicContact CG2-CB 3.88Å; V1109-W1173 HydrophobicContact CG2-CD2 3.92Å; V1109-W1173 HydrophobicContact CG2-CE3 4.26Å; V1109-W1173 HydrophobicContact CG2-CG 3.73Å; I1169-W1173 HydrophobicContact CG2-CB 4.17Å; I1169-W1173 HydrophobicContact CG2-CE3 4.35Å; P1170-W1173 HydrophobicContact CB-CB 4.48Å; P1170-W1173 HydrophobicContact CB-CD2 4.45Å; P1170-W1173 HydrophobicContact CB-CG 4.05Å; P1170-W1173 HydrophobicContact CG-CD2 4.04Å; P1170-W1173 HydrophobicContact CG-CG 4.17Å; P1170-W1173 WeakPolarHBondContact O-CA 3.45Å; P1170-W1173 VanDerWaalsContact O-CB 3.3Å; P1170-W1173 WeakPolarHBondContact O-CB 3.44Å; P1170-W1173 PolarHBondContact O-N 3.36Å; R1171-W1173 VanDerWaalsContact C-N 3.28Å; R1171-W1173 PolarHBondContact O-N 3.35Å; W1173-F1176 PolarHBondContact O-N 3.41Å; W1173-V1177 VanDerWaalsContact O-CB 3.32Å; W1173-V1177 WeakPolarHBondContact O-CB 3.44Å; W1173-V1177 VanDerWaalsContact O-CG2 3.28Å; W1173-V1177 WeakPolarHBondContact O-CG2 3.4Å; W1173-V1177 PolarHBondContact O-N 2.82Å; W1173-W1308 AromaticContact CD1-CZ3 3.8Å; W1173-W1308 AromaticContact NE1-CZ3 3.88Å; W1173-L1346 HydrophobicContact CZ2-CD1 3.64Å |
| 1174 | I | 87.6 | Confident | 73 | Confident | 8 Ų | 8 | 73.8 Ų | 73.8 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -60.2 | -49.4 | 176.5 | -53.7 | 179.5 | 0 | 0 | 0 | 109.9 | Q1128 L1131 E1132 I1169 P1170 R1171 F1176 V1177 V1178 | Q1128-I1174 HydrophobicContact CG-CG2 4.29Å; L1131-I1174 HydrophobicContact CB-CD1 4.2Å; L1131-I1174 HydrophobicContact CB-CG1 4.08Å; L1131-I1174 HydrophobicContact CB-CG2 4.06Å; L1131-I1174 HydrophobicContact CD1-CG2 4.47Å; E1132-I1174 HydrophobicContact CG-CD1 3.99Å; E1132-I1174 HydrophobicContact CG-CG2 4.32Å; I1169-I1174 HydrophobicContact CB-CD1 4.25Å; I1169-I1174 HydrophobicContact CB-CG1 4.22Å; I1169-I1174 HydrophobicContact CG2-CD1 4.35Å; I1169-I1174 HydrophobicContact CG2-CG1 3.76Å; P1170-I1174 PolarHBondContact O-N 3.03Å; R1171-I1174 WeakPolarHBondContact O-CB 3.35Å; R1171-I1174 PolarHBondContact O-N 2.77Å; R1171-I1174 VanDerWaalsContact O-N 3.1Å; I1174-F1176 PolarHBondContact O-N 3.41Å; I1174-V1177 PolarHBondContact O-N 3.15Å; I1174-V1178 HydrophobicContact CG2-CG2 3.99Å; I1174-V1178 VanDerWaalsContact O-CB 3.24Å; I1174-V1178 WeakPolarHBondContact O-CB 3.35Å; I1174-V1178 WeakPolarHBondContact O-CG2 3.26Å; I1174-V1178 PolarHBondContact O-N 3.13Å |
| 1175 | E | 85.7 | Confident | 74.3 | Confident | 133 Ų | 133 | 69 Ų | 69 | 62% | 0.621 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60.5 | -42.1 | 177.8 | -72.2 | 173.6 | -169.4 | 0 | 0 | 112.4 | R1171 S1179 | R1171-E1175 WeakPolarHBondContact O-CG 3.1Å; R1171-E1175 PolarHBondContact O-N 3.12Å; E1175-S1179 WeakPolarHBondContact O-CB 3.48Å; E1175-S1179 PolarHBondContact O-N 3.41Å |
| 1176 | F | 86.7 | Confident | 75.1 | Confident | 58 Ų | 58 | 64 Ų | 64 | 25% | 0.254 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.2 | 174.1 | -103 | 0 | 0 | 0 | 112.3 | V1109 Y1113 A1172 W1173 I1174 S1179 G1180 | V1109-F1176 HydrophobicContact CG2-CD1 3.95Å; V1109-F1176 HydrophobicContact CG2-CE1 4.42Å; Y1113-F1176 AromaticContact CD2-CD1 3.87Å; Y1113-F1176 HydrophobicContact CD2-CD1 3.87Å; Y1113-F1176 AromaticContact CD2-CE1 3.32Å; Y1113-F1176 HydrophobicContact CD2-CE1 3.32Å; Y1113-F1176 AromaticContact CD2-CZ 3.89Å; Y1113-F1176 HydrophobicContact CD2-CZ 3.89Å; Y1113-F1176 HydrophobicContact CE2-CD1 4.43Å; Y1113-F1176 AromaticContact CE2-CE1 3.82Å; Y1113-F1176 HydrophobicContact CE2-CE1 3.82Å; Y1113-F1176 AromaticContact CE2-CZ 3.92Å; Y1113-F1176 HydrophobicContact CE2-CZ 3.92Å; Y1113-F1176 AromaticContact CG-CE1 3.96Å; Y1113-F1176 HydrophobicContact CG-CE1 3.96Å; A1172-F1176 VanDerWaalsContact O-CB 3.24Å; A1172-F1176 WeakPolarHBondContact O-CB 3.28Å; A1172-F1176 PolarHBondContact O-N 2.91Å; A1172-F1176 VanDerWaalsContact O-N 3.09Å; W1173-F1176 PolarHBondContact O-N 3.41Å; I1174-F1176 PolarHBondContact O-N 3.41Å; F1176-S1179 PolarHBondContact O-N 3.08Å; F1176-G1180 PolarHBondContact O-N 3.26Å |
| 1177 | V | 86.6 | Confident | 75.3 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.7 | -49.8 | 179 | 164.2 | 0 | 0 | 0 | 0 | 111.1 | V1109 L1112 T1116 V1127 L1131 W1173 I1174 S1179 G1180 V1181 | V1109-V1177 HydrophobicContact CG2-CG2 4.38Å; L1112-V1177 HydrophobicContact CD2-CG2 4.19Å; L1112-V1177 HydrophobicContact CG-CG2 4.08Å; T1116-V1177 HydrophobicContact CG2-CG1 3.9Å; T1116-V1177 VanDerWaalsContact OG1-CG1 3.29Å; T1116-V1177 WeakPolarHBondContact OG1-CG1 3.35Å; V1127-V1177 HydrophobicContact CG1-CG1 4.32Å; L1131-V1177 HydrophobicContact CD1-CB 4.43Å; L1131-V1177 HydrophobicContact CD1-CG1 3.8Å; W1173-V1177 VanDerWaalsContact O-CB 3.32Å; W1173-V1177 WeakPolarHBondContact O-CB 3.44Å; W1173-V1177 VanDerWaalsContact O-CG2 3.28Å; W1173-V1177 WeakPolarHBondContact O-CG2 3.4Å; W1173-V1177 PolarHBondContact O-N 2.82Å; I1174-V1177 PolarHBondContact O-N 3.15Å; V1177-S1179 VanDerWaalsContact C-N 3.3Å; V1177-S1179 PolarHBondContact O-N 3.14Å; V1177-G1180 WeakPolarHBondContact O-CA 3.36Å; V1177-G1180 PolarHBondContact O-N 3.17Å; V1177-V1181 WeakPolarHBondContact O-CG2 3.42Å; V1177-V1181 PolarHBondContact O-N 2.81Å |
| 1178 | V | 87.5 | Confident | 75.2 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 10% | 0.103 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63 | -36.6 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | Q1128 I1174 G1180 K1182 | Q1128-V1178 HydrophobicContact CB-CG1 4.27Å; Q1128-V1178 HydrophobicContact CB-CG2 3.63Å; Q1128-V1178 HydrophobicContact CG-CG2 4.17Å; I1174-V1178 HydrophobicContact CG2-CG2 3.99Å; I1174-V1178 VanDerWaalsContact O-CB 3.24Å; I1174-V1178 WeakPolarHBondContact O-CB 3.35Å; I1174-V1178 WeakPolarHBondContact O-CG2 3.26Å; I1174-V1178 PolarHBondContact O-N 3.13Å; V1178-G1180 VanDerWaalsContact C-N 3.34Å; V1178-K1182 WeakPolarHBondContact O-CB 3.42Å; V1178-K1182 PolarHBondContact O-N 2.84Å |
| 1179 | S | 83.1 | Confident | 74.3 | Confident | 32 Ų | 32 | 56.6 Ų | 56.6 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64.3 | -38.3 | 171.2 | -172.4 | 0 | 0 | 0 | 0 | 112.1 | E1175 F1176 V1177 M1183 | E1175-S1179 WeakPolarHBondContact O-CB 3.48Å; E1175-S1179 PolarHBondContact O-N 3.41Å; F1176-S1179 PolarHBondContact O-N 3.08Å; V1177-S1179 VanDerWaalsContact C-N 3.3Å; V1177-S1179 PolarHBondContact O-N 3.14Å; S1179-M1183 VanDerWaalsContact O-CG 3.32Å; S1179-M1183 WeakPolarHBondContact O-CG 3.47Å; S1179-M1183 PolarHBondContact O-N 3.42Å |
| 1180 | G | 78.5 | Confident | 72.3 | Confident | 4 Ų | 4 | 60.4 Ų | 60.4 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.5 | -55.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F1176 V1177 V1178 K1182 M1183 V1184 | F1176-G1180 PolarHBondContact O-N 3.26Å; V1177-G1180 WeakPolarHBondContact O-CA 3.36Å; V1177-G1180 PolarHBondContact O-N 3.17Å; V1178-G1180 VanDerWaalsContact C-N 3.34Å; G1180-K1182 VanDerWaalsContact C-N 3.28Å; G1180-K1182 PolarHBondContact O-N 3.09Å; G1180-M1183 PolarHBondContact O-N 2.98Å; G1180-M1183 VanDerWaalsContact O-N 3.08Å; G1180-V1184 PolarHBondContact O-N 3.25Å |
| 1181 | V | 82.9 | Confident | 70.1 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -55.7 | -44.6 | 175.9 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | V1127 V1177 M1183 V1184 A1185 | V1127-V1181 HydrophobicContact CG1-CG2 4.38Å; V1127-V1181 HydrophobicContact CG2-CG1 4.3Å; V1177-V1181 WeakPolarHBondContact O-CG2 3.42Å; V1177-V1181 PolarHBondContact O-N 2.81Å; V1181-M1183 VanDerWaalsContact C-N 3.32Å; V1181-M1183 PolarHBondContact O-N 3.03Å; V1181-V1184 CarbonylContact O-C 3.6Å; V1181-V1184 PolarHBondContact O-N 3.24Å; V1181-A1185 HydrophobicContact CG1-CB 4.14Å; V1181-A1185 WeakPolarHBondContact O-CB 3.37Å; V1181-A1185 PolarHBondContact O-N 3.32Å |
| 1182 | K | 79.5 | Confident | 67.9 | Low | 115 Ų | 115 | 60.6 Ų | 60.6 | 50% | 0.5 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.7 | -36.4 | 178.1 | -166.2 | 174.5 | -175.7 | 172.5 | 0 | 113.1 | V1178 G1180 V1184 D1186 | V1178-K1182 WeakPolarHBondContact O-CB 3.42Å; V1178-K1182 PolarHBondContact O-N 2.84Å; G1180-K1182 VanDerWaalsContact C-N 3.28Å; G1180-K1182 PolarHBondContact O-N 3.09Å; K1182-V1184 PolarHBondContact O-N 3.32Å; K1182-D1186 WeakPolarHBondContact CE-OD2 3.47Å; K1182-D1186 WeakPolarHBondContact CG-OD2 3.48Å; K1182-D1186 VanDerWaalsContact O-CB 3.28Å; K1182-D1186 WeakPolarHBondContact O-CB 3.47Å; K1182-D1186 PolarHBondContact O-N 2.93Å |
| 1183 | M | 71.2 | Confident | 65.5 | Low | 95 Ų | 95 | 64 Ų | 64 | 47% | 0.468 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -70.3 | -10.7 | 175.5 | -74.1 | 179 | 67.1 | 0 | 0 | 114.2 | S1179 G1180 V1181 R1187 | S1179-M1183 VanDerWaalsContact O-CG 3.32Å; S1179-M1183 WeakPolarHBondContact O-CG 3.47Å; S1179-M1183 PolarHBondContact O-N 3.42Å; G1180-M1183 PolarHBondContact O-N 2.98Å; G1180-M1183 VanDerWaalsContact O-N 3.08Å; V1181-M1183 VanDerWaalsContact C-N 3.32Å; V1181-M1183 PolarHBondContact O-N 3.03Å; M1183-R1187 VanDerWaalsContact O-CD 3.31Å; M1183-R1187 WeakPolarHBondContact O-CD 3.28Å; M1183-R1187 PolarHBondContact O-NE 2.7Å |
| 1184 | V | 68.3 | Low | 62.6 | Low | 50 Ų | 50 | 65.1 Ų | 65.1 | 30% | 0.303 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -115.1 | -53.5 | -177.8 | 179.4 | 0 | 0 | 0 | 0 | 111.7 | V1117 G1180 V1181 K1182 R1187 I1188 | V1117-V1184 HydrophobicContact CG1-CG1 4.43Å; V1117-V1184 HydrophobicContact CG1-CG2 4.15Å; G1180-V1184 PolarHBondContact O-N 3.25Å; V1181-V1184 CarbonylContact O-C 3.6Å; V1181-V1184 PolarHBondContact O-N 3.24Å; K1182-V1184 PolarHBondContact O-N 3.32Å; V1184-R1187 WeakPolarHBondContact O-CB 3.1Å; V1184-R1187 PolarHBondContact O-N 3.36Å; V1184-R1187 VanDerWaalsContact O-N 3.16Å; V1184-I1188 PolarHBondContact O-N 2.9Å |
| 1185 | A | 60.4 | Low | 59.5 | Low | 17 Ų | 17 | 70.4 Ų | 70.4 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.4 | -41.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | V1181 R1187 I1188 L1189 | V1181-A1185 HydrophobicContact CG1-CB 4.14Å; V1181-A1185 WeakPolarHBondContact O-CB 3.37Å; V1181-A1185 PolarHBondContact O-N 3.32Å; A1185-R1187 PolarHBondContact O-N 2.81Å; A1185-I1188 PolarHBondContact O-N 3.23Å; A1185-I1188 VanDerWaalsContact O-N 3.13Å; A1185-L1189 PolarHBondContact O-N 3.41Å |
| 1186 | D | 54.1 | Low | 56.7 | Low | 48 Ų | 48 | 71.9 Ų | 71.9 | 26% | 0.257 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.2 | -17.4 | 177.3 | -62.8 | 13.3 | 0 | 0 | 0 | 111.5 | K1182 T1190 | K1182-D1186 WeakPolarHBondContact CE-OD2 3.47Å; K1182-D1186 WeakPolarHBondContact CG-OD2 3.48Å; K1182-D1186 VanDerWaalsContact O-CB 3.28Å; K1182-D1186 WeakPolarHBondContact O-CB 3.47Å; K1182-D1186 PolarHBondContact O-N 2.93Å; D1186-T1190 WeakPolarHBondContact O-CG2 3.49Å; D1186-T1190 PolarHBondContact O-N 2.92Å; D1186-T1190 PolarHBondContact O-OG1 3.22Å |
| 1187 | R | 41.3 | Very low | 53.7 | Low | 140 Ų | 140 | 77 Ų | 77 | 53% | 0.528 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -75.5 | -46.1 | 169.5 | -67.8 | -178.6 | 171.5 | 160.2 | -0.1 | 112 | M1183 V1184 A1185 L1189 T1190 E1191 | M1183-R1187 VanDerWaalsContact O-CD 3.31Å; M1183-R1187 WeakPolarHBondContact O-CD 3.28Å; M1183-R1187 PolarHBondContact O-NE 2.7Å; V1184-R1187 WeakPolarHBondContact O-CB 3.1Å; V1184-R1187 PolarHBondContact O-N 3.36Å; V1184-R1187 VanDerWaalsContact O-N 3.16Å; A1185-R1187 PolarHBondContact O-N 2.81Å; R1187-L1189 VanDerWaalsContact C-N 3.31Å; R1187-L1189 PolarHBondContact O-N 2.95Å; R1187-T1190 WeakPolarHBondContact CA-OG1 3.45Å; R1187-T1190 PolarHBondContact O-N 3.26Å; R1187-T1190 PolarHBondContact O-OG1 2.95Å; R1187-E1191 WeakPolarHBondContact O-CG 3.31Å; R1187-E1191 PolarHBondContact O-N 3.32Å |
| 1188 | I | 50 | Low | 50.7 | Low | 61 Ų | 61 | 83.7 Ų | 83.7 | 31% | 0.313 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -60 | -44.8 | 178.6 | -60.9 | 173.9 | 0 | 0 | 0 | 110.1 | V1120 V1184 A1185 T1190 E1191 E1192 | V1120-I1188 HydrophobicContact CG1-CD1 3.67Å; V1184-I1188 PolarHBondContact O-N 2.9Å; A1185-I1188 PolarHBondContact O-N 3.23Å; A1185-I1188 VanDerWaalsContact O-N 3.13Å; I1188-T1190 VanDerWaalsContact C-N 3.26Å; I1188-T1190 PolarHBondContact O-N 3.42Å; I1188-E1191 PolarHBondContact O-N 2.87Å; I1188-E1192 PolarHBondContact O-N 3.08Å; I1188-E1192 VanDerWaalsContact O-N 3.15Å |
| 1189 | L | 44.8 | Very low | 47.8 | Very low | 79 Ų | 79 | 89.2 Ų | 89.2 | 41% | 0.414 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.8 | -18.5 | 177.1 | -68.5 | 173.2 | 0 | 0 | 0 | 114.4 | A1185 R1187 N1193 L1221 | A1185-L1189 PolarHBondContact O-N 3.41Å; R1187-L1189 VanDerWaalsContact C-N 3.31Å; R1187-L1189 PolarHBondContact O-N 2.95Å; L1189-N1193 PolarHBondContact O-ND2 2.93Å; L1189-L1221 HydrophobicContact CD1-CD2 3.91Å |
| 1190 | T | 36.8 | Very low | 45.2 | Very low | 99 Ų | 99 | 95.4 Ų | 95.4 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -90.4 | -27 | 171.5 | 44.1 | 0 | 0 | 0 | 0 | 112.9 | D1186 R1187 I1188 | D1186-T1190 WeakPolarHBondContact O-CG2 3.49Å; D1186-T1190 PolarHBondContact O-N 2.92Å; D1186-T1190 PolarHBondContact O-OG1 3.22Å; R1187-T1190 WeakPolarHBondContact CA-OG1 3.45Å; R1187-T1190 PolarHBondContact O-N 3.26Å; R1187-T1190 PolarHBondContact O-OG1 2.95Å; I1188-T1190 VanDerWaalsContact C-N 3.26Å; I1188-T1190 PolarHBondContact O-N 3.42Å |
| 1191 | E | 36.3 | Very low | 42.8 | Very low | 87 Ų | 87 | 103 Ų | 103 | 41% | 0.407 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -73.7 | -36.4 | 175.7 | -74 | 171.1 | 148.6 | 0 | 0 | 112.8 | R1187 I1188 N1193 G1194 N1273 | R1187-E1191 WeakPolarHBondContact O-CG 3.31Å; R1187-E1191 PolarHBondContact O-N 3.32Å; I1188-E1191 PolarHBondContact O-N 2.87Å; E1191-N1193 PolarHBondContact O-N 2.84Å; E1191-G1194 PolarHBondContact O-N 3.39Å; E1191-N1273 VanDerWaalsContact CD-ND2 3.25Å; E1191-N1273 PolarHBondContact OE1-ND2 2.88Å; E1191-N1273 PolarHBondContact OE2-ND2 2.87Å |
| 1192 | E | 35.3 | Very low | 40.2 | Very low | 152 Ų | 152 | 111.9 Ų | 111.9 | 71% | 0.71 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -22.7 | 176.4 | -72.7 | -160.5 | 136.3 | 0 | 0 | 114.2 | I1188 | I1188-E1192 PolarHBondContact O-N 3.08Å; I1188-E1192 VanDerWaalsContact O-N 3.15Å |
| 1193 | N | 30.6 | Very low | 37.9 | Very low | 110 Ų | 110 | 115.7 Ų | 115.7 | 59% | 0.588 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -0.3 | 175.4 | -67.3 | -84.5 | 0 | 0 | 0 | 113.2 | L1189 E1191 | L1189-N1193 PolarHBondContact O-ND2 2.93Å; E1191-N1193 PolarHBondContact O-N 2.84Å |
| 1194 | G | 27.1 | Very low | 36 | Very low | 57 Ų | 57 | 119.1 Ų | 119.1 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -79.2 | -20.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E1191 H1196 | E1191-G1194 PolarHBondContact O-N 3.39Å; G1194-H1196 PolarHBondContact O-N 3.05Å | ||
| 1195 | C | 23.7 | Very low | 34.1 | Very low | 120 Ų | 120 | 119.6 Ų | 119.6 | 81% | 0.811 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | 41.3 | -165.7 | -71.9 | 0 | 0 | 0 | 0 | 115.6 | ||
| 1196 | H | 25.5 | Very low | 32.6 | Very low | 163 Ų | 163 | 123.3 Ų | 123.3 | 76% | 0.755 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.7 | 26.2 | 172.9 | -136.5 | -62.3 | 0 | 0 | 0 | 118.8 | G1194 | G1194-H1196 PolarHBondContact O-N 3.05Š|
| 1197 | L | 23.5 | Very low | 31.2 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 86% | 0.864 | 70% | 0.701 | S | S | * | * | trans | -148.1 | 63.2 | -174.3 | -117.1 | 164.6 | 0 | 0 | 0 | 116.8 | ||||
| 1198 | T | 25 | Very low | 30.4 | Very low | 141 Ų | 141 | 125.8 Ų | 125.8 | 87% | 0.865 | 71% | 0.708 | S | S | * | * | trans | -148 | 90.5 | 161.9 | 47.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1199 | T | 26.1 | Very low | 29.2 | Very low | 133 Ų | 133 | 128.6 Ų | 128.6 | 82% | 0.816 | 72% | 0.724 | S | S | * | * | trans | -151 | 105 | 145.3 | 52.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 1200 | N | 27.8 | Very low | 28.3 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 87% | 0.872 | 74% | 0.741 | S | S | * | * | trans | -165.2 | 100.1 | 167.8 | -100 | -14.8 | 0 | 0 | 0 | 109.2 | ||||
| 1201 | D | 28.4 | Very low | 27.8 | Very low | 163 Ų | 163 | 132 Ų | 132 | 87% | 0.872 | 75% | 0.75 | S | S | * | * | trans | -144.9 | 152.2 | 151.6 | -76.3 | -55.9 | 0 | 0 | 0 | 104.3 | ||||
| 1202 | E | 28 | Very low | 27.4 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | cis | -119.8 | 168.7 | 12.3 | -60.8 | 160.8 | 126.4 | 0 | 0 | 111.7 | ||||
| 1203 | F | 32.2 | Very low | 26.8 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | trans | -146 | 135.2 | 179.5 | -147 | -76.9 | 0 | 0 | 0 | 109.5 | ||||
| 1204 | D | 31.4 | Very low | 26.6 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 89% | 0.888 | 78% | 0.784 | S | S | * | * | trans | -170.6 | 142.3 | 155.4 | -112.2 | -25.4 | 0 | 0 | 0 | 110.2 | ||||
| 1205 | G | 28.8 | Very low | 26.5 | Very low | 61 Ų | 61 | 138.5 Ų | 138.5 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | S | Bend | cis | -149.4 | 178.5 | -6.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 1206 | A | 28.2 | Very low | 26.6 | Very low | 94 Ų | 94 | 136.9 Ų | 136.9 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | cis | -148.6 | 163.1 | 10.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1207 | S | 24 | Very low | 26.7 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 55.5 | 110.1 | 168.3 | -77.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 1208 | E | 24.4 | Very low | 27 | Very low | 147 Ų | 147 | 131.2 Ų | 131.2 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | trans | 54.6 | 129.9 | 132.6 | -58 | 141.6 | -113.2 | 0 | 0 | 120.6 | ||||
| 1209 | N | 25 | Very low | 27.5 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 64% | 0.636 | 77% | 0.771 | S | S | * | * | cis | -155 | 140.3 | -21.6 | -114.6 | -37.4 | 0 | 0 | 0 | 107.3 | ||||
| 1210 | P | 26.9 | Very low | 28.4 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | trans | -91 | 123.7 | -152.7 | 32.6 | -35.6 | 0 | 0 | 0 | 115.8 | ||||
| 1211 | T | 25.2 | Very low | 29.8 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -128.5 | 81.5 | 175 | 46.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1212 | K | 28.9 | Very low | 31.5 | Very low | 198 Ų | 198 | 127.9 Ų | 127.9 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -178.3 | 99.5 | 153.8 | -105.7 | 155.3 | -173.7 | 170.6 | 0 | 114.3 | ||||
| 1213 | S | 22.1 | Very low | 33.6 | Very low | 116 Ų | 116 | 119.4 Ų | 119.4 | 81% | 0.811 | 69% | 0.688 | S | S | * | * | trans | -167.5 | 20.1 | 144.5 | 55.8 | 0 | 0 | 0 | 0 | 114.2 | S1215 | S1213-S1215 VanDerWaalsContact C-N 3.26Å; S1213-S1215 PolarHBondContact O-N 3.46Å | ||
| 1214 | S | 26.5 | Very low | 35.5 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | trans | -75.7 | 73.7 | 173.9 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | S1216 | S1214-S1216 PolarHBondContact O-N 3.32Š| ||
| 1215 | S | 24.1 | Very low | 37.8 | Very low | 120 Ų | 120 | 103.9 Ų | 103.9 | 84% | 0.839 | 61% | 0.614 | S | S | * | * | trans | -75.3 | 50.8 | 162 | 61.3 | 0 | 0 | 0 | 0 | 110.5 | S1213 S1217 | S1213-S1215 VanDerWaalsContact C-N 3.26Å; S1213-S1215 PolarHBondContact O-N 3.46Å; S1215-S1217 PolarHBondContact O-N 3.01Å | ||
| 1216 | S | 27.3 | Very low | 40.2 | Very low | 87 Ų | 87 | 103.7 Ų | 103.7 | 61% | 0.608 | 60% | 0.603 | S | S | * | * | trans | -79.7 | 96.8 | 175.5 | 51 | 0 | 0 | 0 | 0 | 108.5 | S1214 S1218 | S1214-S1216 PolarHBondContact O-N 3.32Å; S1216-S1218 PolarHBondContact O-N 2.8Å; S1216-S1218 VanDerWaalsContact O-N 3.15Å | ||
| 1217 | S | 26.9 | Very low | 42.6 | Very low | 91 Ų | 91 | 101 Ų | 101 | 64% | 0.636 | 58% | 0.575 | S | S | * | * | trans | -65.5 | 110.5 | 160.4 | 46.7 | 0 | 0 | 0 | 0 | 107.9 | S1215 R1219 | S1215-S1217 PolarHBondContact O-N 3.01Å; S1217-R1219 PolarHBondContact O-N 2.8Å | ||
| 1218 | S | 30.5 | Very low | 44.9 | Very low | 117 Ų | 117 | 101.4 Ų | 101.4 | 82% | 0.818 | 57% | 0.571 | S | S | * | * | trans | -63.8 | 90.1 | 155 | -65 | 0 | 0 | 0 | 0 | 106.3 | S1216 H1220 | S1216-S1218 PolarHBondContact O-N 2.8Å; S1216-S1218 VanDerWaalsContact O-N 3.15Å; S1218-H1220 PolarHBondContact O-N 2.9Å; S1218-H1220 VanDerWaalsContact O-N 3.13Å | ||
| 1219 | R | 35.8 | Very low | 47 | Very low | 187 Ų | 187 | 96.2 Ų | 96.2 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | trans | -55.6 | 121 | 173.1 | -64.3 | -176.6 | -170.9 | 159.9 | 6.1 | 106.5 | S1217 L1221 | S1217-R1219 PolarHBondContact O-N 2.8Å; R1219-L1221 PolarHBondContact O-N 3.13Å | ||
| 1220 | H | 44.7 | Very low | 48.5 | Very low | 162 Ų | 162 | 100.2 Ų | 100.2 | 75% | 0.75 | 55% | 0.553 | S | S | * | * | trans | -59.8 | 127 | 168.5 | -116.4 | -63.4 | 0 | 0 | 0 | 106.8 | S1218 E1222 | S1218-H1220 PolarHBondContact O-N 2.9Å; S1218-H1220 VanDerWaalsContact O-N 3.13Å; H1220-E1222 PolarHBondContact O-N 2.92Å | ||
| 1221 | L | 55.7 | Low | 49.8 | Very low | 52 Ų | 52 | 96.8 Ų | 96.8 | 27% | 0.272 | 53% | 0.528 | S | S | . | . | trans | -65.4 | 108.3 | 173.3 | -71.2 | 171.1 | 0 | 0 | 0 | 107.9 | N1123 L1189 R1219 | N1123-L1221 HydrophobicContact CB-CD2 4.34Å; L1189-L1221 HydrophobicContact CD1-CD2 3.91Å; R1219-L1221 PolarHBondContact O-N 3.13Å | ||
| 1222 | E | 64.6 | Low | 50.5 | Low | 130 Ų | 130 | 95.1 Ų | 95.1 | 61% | 0.607 | 52% | 0.52 | S | S | * | . | trans | -68.6 | 147.4 | -178.7 | -73.9 | 168.1 | -170.3 | 0 | 0 | 110.5 | N1123 H1220 | N1123-E1222 PolarHBondContact ND2-O 3.26Å; H1220-E1222 PolarHBondContact O-N 2.92Å | ||
| 1223 | V | 72.9 | Confident | 51.1 | Low | 12 Ų | 12 | 90.3 Ų | 90.3 | 7% | 0.073 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -83 | -58.2 | -177.6 | 167.9 | 0 | 0 | 0 | 0 | 109.7 | I1043 Y1045 L1052 R1125 Q1126 I1129 | I1043-V1223 HydrophobicContact CG2-CG1 4.2Å; Y1045-V1223 HydrophobicContact CD2-CB 4.07Å; Y1045-V1223 HydrophobicContact CD2-CG1 3.72Å; Y1045-V1223 HydrophobicContact CE2-CB 3.98Å; Y1045-V1223 HydrophobicContact CE2-CG1 4.16Å; Y1045-V1223 HydrophobicContact CG-CG1 4.42Å; L1052-V1223 HydrophobicContact CD1-CG1 4.44Å; L1052-V1223 HydrophobicContact CD2-CG1 3.92Å; L1052-V1223 HydrophobicContact CG-CG1 4.29Å; R1125-V1223 HydrophobicContact CG-CG2 4.17Å; Q1126-V1223 VanDerWaalsContact CG-O 3.25Å; Q1126-V1223 WeakPolarHBondContact CG-O 3.13Å; Q1126-V1223 PolarHBondContact NE2-O 2.8Å; I1129-V1223 HydrophobicContact CD1-CB 4.21Å; I1129-V1223 HydrophobicContact CD1-CG1 3.47Å; I1129-V1223 VanDerWaalsContact CD1-CG1 3.47Å; I1129-V1223 HydrophobicContact CD1-CG2 3.7Å |
| 1224 | G | 72.5 | Confident | 51.7 | Low | 5 Ų | 5 | 90.1 Ų | 90.1 | 5% | 0.052 | 49% | 0.488 | C | S | . | . | S | Bend | trans | -69.2 | 162.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1040 Y1045 | N1040-G1224 WeakPolarHBondContact OD1-CA 3.45Å; Y1045-G1224 VanDerWaalsContact CD1-CA 3.47Å |
| 1225 | E | 78.1 | Confident | 51.9 | Low | 31 Ų | 31 | 89.6 Ų | 89.6 | 15% | 0.145 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 137.7 | 164.8 | -176.7 | 76.9 | 125.4 | 0 | 0 | 109.7 | H1032 A1036 F1039 N1040 R1094 L1227 | H1032-E1225 IonicContact CE1-OE1 2.65Å; A1036-E1225 HydrophobicContact CB-CB 3.87Å; A1036-E1225 HydrophobicContact CB-CG 3.59Å; F1039-E1225 HydrophobicContact CD1-CB 4.07Å; N1040-E1225 PolarHBondContact ND2-O 3.09Å; N1040-E1225 PolarHBondContact OD1-N 2.93Å; R1094-E1225 VanDerWaalsContact CZ-CD 3.49Å; R1094-E1225 IonicContact CZ-OE1 2.81Å; R1094-E1225 VanDerWaalsContact CZ-OE1 3.23Å; R1094-E1225 IonicContact CZ-OE2 3.69Å; R1094-E1225 IonicContact NE-OE1 3.02Å; R1094-E1225 PolarHBondContact NE-OE1 3.35Å; R1094-E1225 IonicContact NE-OE2 3.89Å; R1094-E1225 PolarHBondContact NE-OE2 2.94Å; R1094-E1225 IonicContact NH2-OE1 2.6Å; R1094-E1225 PolarHBondContact NH2-OE1 3.44Å; R1094-E1225 IonicContact NH2-OE2 2.84Å; R1094-E1225 PolarHBondContact NH2-OE2 2.79Å; E1225-L1227 PolarHBondContact O-N 2.88Å |
| 1226 | S | 80.2 | Confident | 52.2 | Low | 58 Ų | 58 | 85.7 Ų | 85.7 | 41% | 0.406 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 134.6 | 173.8 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | H1032 D1228 | H1032-S1226 PolarHBondContact NE2-O 3.09Å; S1226-D1228 VanDerWaalsContact C-N 3.27Å; S1226-D1228 PolarHBondContact O-N 3.38Å |
| 1227 | L | 78.2 | Confident | 52.4 | Low | 36 Ų | 36 | 90 Ų | 90 | 19% | 0.188 | 46% | 0.459 | C | S | . | . | S | Bend | trans | -76.5 | -10.4 | -179.4 | -59.7 | -179 | 0 | 0 | 0 | 114.3 | R1033 A1036 R1037 C1047 E1225 | R1033-L1227 VanDerWaalsContact CD-O 3.24Å; R1033-L1227 WeakPolarHBondContact CD-O 3.2Å; R1033-L1227 PolarHBondContact NH1-O 3.48Å; A1036-L1227 HydrophobicContact CB-CD2 3.84Å; R1037-L1227 HydrophobicContact CG-CD2 4.08Å; C1047-L1227 HydrophobicContact CB-CD1 4.05Å; E1225-L1227 PolarHBondContact O-N 2.88Å |
| 1228 | D | 72 | Confident | 52.5 | Low | 104 Ų | 104 | 93.2 Ų | 93.2 | 56% | 0.556 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -114.7 | 109 | -170.5 | -68.6 | -8.9 | 0 | 0 | 0 | 112.1 | R1033 S1226 R1230 | R1033-D1228 IonicContact NH1-OD1 3.41Å; R1033-D1228 PolarHBondContact NH1-OD1 3.17Å; S1226-D1228 VanDerWaalsContact C-N 3.27Å; S1226-D1228 PolarHBondContact O-N 3.38Å; D1228-R1230 PolarHBondContact O-N 2.98Å; D1228-R1230 VanDerWaalsContact O-N 3.09Å |
| 1229 | L | 69.3 | Low | 52.3 | Low | 38 Ų | 38 | 89.4 Ų | 89.4 | 20% | 0.199 | 44% | 0.442 | C | S | . | . | trans | -73.3 | 100.9 | -179.9 | -174.9 | 58.9 | 0 | 0 | 0 | 111.6 | A1028 H1032 Y1091 L1231 | A1028-L1229 HydrophobicContact CB-CD2 4.08Å; H1032-L1229 HydrophobicContact CB-CB 4.18Å; H1032-L1229 HydrophobicContact CB-CD1 4.26Å; H1032-L1229 HydrophobicContact CB-CD2 3.91Å; H1032-L1229 HydrophobicContact CB-CG 4.34Å; Y1091-L1229 HydrophobicContact CD1-CD2 4.44Å; Y1091-L1229 HydrophobicContact CE1-CD1 4.42Å; Y1091-L1229 HydrophobicContact CE1-CD2 4.01Å; L1229-L1231 HydrophobicContact CD1-CG 4.41Å; L1229-L1231 HydrophobicContact CD2-CD1 3.51Å; L1229-L1231 HydrophobicContact CD2-CG 3.85Å; L1229-L1231 HydrophobicContact CG-CB 4.46Å; L1229-L1231 HydrophobicContact CG-CD1 4.08Å; L1229-L1231 HydrophobicContact CG-CG 3.87Å; L1229-L1231 PolarHBondContact O-N 3.01Å | ||
| 1230 | R | 56.5 | Low | 51.9 | Low | 202 Ų | 202 | 86.5 Ų | 86.5 | 76% | 0.762 | 43% | 0.432 | S | S | * | . | trans | -78.9 | 61.8 | 174.4 | -65.6 | -172.4 | -179.7 | -178.6 | 1.6 | 112.9 | D1228 L2086 | D1228-R1230 PolarHBondContact O-N 2.98Å; D1228-R1230 VanDerWaalsContact O-N 3.09Å; R1230-L2086 VanDerWaalsContact CZ-CD1 3.47Å | ||
| 1231 | L | 54.6 | Low | 51 | Low | 48 Ų | 48 | 82 Ų | 82 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | trans | -65.8 | 137.8 | 166.8 | -91.2 | 169.6 | 0 | 0 | 0 | 110.7 | A1028 L1229 | A1028-L1231 HydrophobicContact CB-CD1 3.86Å; L1229-L1231 HydrophobicContact CD1-CG 4.41Å; L1229-L1231 HydrophobicContact CD2-CD1 3.51Å; L1229-L1231 HydrophobicContact CD2-CG 3.85Å; L1229-L1231 HydrophobicContact CG-CB 4.46Å; L1229-L1231 HydrophobicContact CG-CD1 4.08Å; L1229-L1231 HydrophobicContact CG-CG 3.87Å; L1229-L1231 PolarHBondContact O-N 3.01Å | ||
| 1232 | P | 40 | Very low | 49.5 | Very low | 96 Ų | 96 | 84.3 Ų | 84.3 | 62% | 0.623 | 44% | 0.437 | S | S | * | . | trans | -59.1 | 138.4 | 155.8 | -17.8 | 31.4 | 0 | 0 | 0 | 109.2 | L1234 | P1232-L1234 VanDerWaalsContact C-N 3.27Å; P1232-L1234 PolarHBondContact O-N 3.47Å | ||
| 1233 | F | 39.8 | Very low | 47.7 | Very low | 98 Ų | 98 | 85.5 Ų | 85.5 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | trans | -67 | 86.5 | 172.5 | -88.9 | -88.6 | 0 | 0 | 0 | 110.2 | Q900 F903 V904 L1235 | Q900-F1233 HydrophobicContact CG-CD1 4.02Å; Q900-F1233 HydrophobicContact CG-CE1 3.69Å; Q900-F1233 HydrophobicContact CG-CE2 4.33Å; Q900-F1233 HydrophobicContact CG-CG 4.47Å; Q900-F1233 HydrophobicContact CG-CZ 3.86Å; Q900-F1233 VanDerWaalsContact NE2-CD2 3.32Å; Q900-F1233 VanDerWaalsContact NE2-CE2 3.33Å; F903-F1233 AromaticContact CD1-CE1 3.78Å; F903-F1233 HydrophobicContact CD1-CE1 3.78Å; F903-F1233 HydrophobicContact CD1-CZ 4.39Å; F903-F1233 HydrophobicContact CE1-CE1 4.34Å; V904-F1233 HydrophobicContact CG2-CZ 3.83Å; F1233-L1235 PolarHBondContact O-N 3.01Å | ||
| 1234 | L | 35.1 | Very low | 45.5 | Very low | 112 Ų | 112 | 90.6 Ų | 90.6 | 59% | 0.586 | 48% | 0.475 | S | S | * | . | trans | -72.5 | 65.3 | 174.9 | -74.6 | 170.2 | 0 | 0 | 0 | 110.8 | Q1025 P1232 P1236 | Q1025-L1234 PolarHBondContact NE2-O 3.12Å; P1232-L1234 VanDerWaalsContact C-N 3.27Å; P1232-L1234 PolarHBondContact O-N 3.47Å; L1234-P1236 WeakPolarHBondContact O-CD 3.33Å; L1234-P1236 VanDerWaalsContact O-N 3.1Å | ||
| 1235 | L | 30.8 | Very low | 43.4 | Very low | 96 Ų | 96 | 96.1 Ų | 96.1 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | trans | -53.8 | 116.3 | 153.6 | -76.6 | 173 | 0 | 0 | 0 | 106.3 | F1022 F1233 E1237 | F1022-L1235 HydrophobicContact CE1-CD2 4.16Å; F1022-L1235 HydrophobicContact CZ-CD2 4.08Å; F1233-L1235 PolarHBondContact O-N 3.01Å; L1235-E1237 PolarHBondContact O-N 2.93Å | ||
| 1236 | P | 30.5 | Very low | 40.8 | Very low | 37 Ų | 37 | 100.5 Ų | 100.5 | 24% | 0.24 | 54% | 0.538 | C | S | . | . | trans | -60.9 | 133.6 | -176.1 | -23.1 | 33.8 | 0 | 0 | 0 | 109.7 | A1021 L1234 D1238 C1239 | A1021-P1236 HydrophobicContact CB-CG 3.69Å; L1234-P1236 WeakPolarHBondContact O-CD 3.33Å; L1234-P1236 VanDerWaalsContact O-N 3.1Å; P1236-D1238 HydrophobicContact CB-CB 4.1Å; P1236-D1238 PolarHBondContact O-N 3.5Å; P1236-C1239 VanDerWaalsContact O-CB 3.31Å; P1236-C1239 WeakPolarHBondContact O-CB 3.36Å; P1236-C1239 PolarHBondContact O-N 2.88Å | ||
| 1237 | E | 31.9 | Very low | 38.3 | Very low | 179 Ų | 179 | 103.6 Ų | 103.6 | 84% | 0.836 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -60.1 | -27.5 | 170.3 | -61 | -171.8 | 134.8 | 0 | 0 | 110.2 | L1235 C1239 Y1240 | L1235-E1237 PolarHBondContact O-N 2.93Å; E1237-C1239 PolarHBondContact O-N 3.33Å; E1237-Y1240 PolarHBondContact O-N 2.8Å; E1237-Y1240 VanDerWaalsContact O-N 3.12Å |
| 1238 | D | 28.3 | Very low | 35.8 | Very low | 158 Ų | 158 | 109.6 Ų | 109.6 | 85% | 0.845 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -57.8 | -11.4 | 168.9 | -60 | -41.3 | 0 | 0 | 0 | 115.3 | P1236 Y1240 | P1236-D1238 HydrophobicContact CB-CB 4.1Å; P1236-D1238 PolarHBondContact O-N 3.5Å; D1238-Y1240 PolarHBondContact O-N 2.88Å |
| 1239 | C | 27.3 | Very low | 33.4 | Very low | 36 Ų | 36 | 108.9 Ų | 108.9 | 24% | 0.243 | 59% | 0.591 | C | S | . | * | G | 310 helix | trans | -76.8 | 5 | 171.4 | -75.2 | 0 | 0 | 0 | 0 | 113.5 | P1236 E1237 | P1236-C1239 VanDerWaalsContact O-CB 3.31Å; P1236-C1239 WeakPolarHBondContact O-CB 3.36Å; P1236-C1239 PolarHBondContact O-N 2.88Å; E1237-C1239 PolarHBondContact O-N 3.33Å |
| 1240 | Y | 27.8 | Very low | 31.3 | Very low | 126 Ų | 126 | 114 Ų | 114 | 49% | 0.494 | 62% | 0.618 | S | S | . | * | trans | -120.6 | 107.1 | 171.2 | -72.8 | -78.1 | 0 | 0 | 0 | 112.1 | T845 K892 E1237 D1238 | T845-Y1240 HydrophobicContact CG2-CE1 4Å; K892-Y1240 WeakPolarHBondContact CE-OH 3.42Å; K892-Y1240 PolarHBondContact NZ-OH 2.85Å; E1237-Y1240 PolarHBondContact O-N 2.8Å; E1237-Y1240 VanDerWaalsContact O-N 3.12Å; D1238-Y1240 PolarHBondContact O-N 2.88Å | ||
| 1241 | P | 24.5 | Very low | 29.7 | Very low | 69 Ų | 69 | 110.7 Ų | 110.7 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | trans | -75.8 | 150.4 | 156.7 | 32.1 | -31.7 | 0 | 0 | 0 | 110.3 | C846 | C846-P1241 HydrophobicContact CB-CG 3.99Å; C846-P1241 WeakPolarHBondContact SG-CD 3.45Å; C846-P1241 WeakPolarHBondContact SG-CG 3.36Å | ||
| 1242 | S | 25 | Very low | 28.4 | Very low | 99 Ų | 99 | 117.2 Ų | 117.2 | 69% | 0.692 | 65% | 0.645 | S | S | * | * | trans | 70.4 | 135.3 | -170.8 | 75.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1243 | D | 26.9 | Very low | 27.7 | Very low | 156 Ų | 156 | 116.2 Ų | 116.2 | 83% | 0.834 | 65% | 0.645 | S | S | * | * | cis | -152.7 | 162.6 | 0.4 | -118.9 | -15.5 | 0 | 0 | 0 | 112.7 | ||||
| 1244 | N | 27.4 | Very low | 27.1 | Very low | 119 Ų | 119 | 117.7 Ų | 117.7 | 64% | 0.636 | 66% | 0.657 | S | S | * | * | trans | -66.1 | 149.2 | -179.1 | -77.6 | 10.8 | 0 | 0 | 0 | 113.3 | ||||
| 1245 | P | 26.9 | Very low | 26.8 | Very low | 121 Ų | 121 | 119.8 Ų | 119.8 | 79% | 0.786 | 66% | 0.663 | S | S | * | * | trans | -72.4 | 141.2 | 172.7 | 31.2 | -35 | 0 | 0 | 0 | 112 | ||||
| 1246 | V | 24.8 | Very low | 26.5 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 75% | 0.745 | 67% | 0.667 | S | S | * | * | trans | -126.3 | 120.5 | 168.9 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1247 | P | 27.4 | Very low | 26.2 | Very low | 123 Ų | 123 | 126.5 Ų | 126.5 | 80% | 0.799 | 69% | 0.692 | S | S | * | * | trans | -80.8 | 139.6 | 176.9 | 32.7 | -33.9 | 0 | 0 | 0 | 111.3 | ||||
| 1248 | I | 24.6 | Very low | 25.8 | Very low | 161 Ų | 161 | 122.4 Ų | 122.4 | 83% | 0.826 | 68% | 0.684 | S | S | * | * | trans | -130.3 | 119.9 | 166 | -62.7 | -176.7 | 0 | 0 | 0 | 108.9 | ||||
| 1249 | S | 21.3 | Very low | 25.7 | Very low | 89 Ų | 89 | 122.1 Ų | 122.1 | 62% | 0.622 | 68% | 0.681 | S | S | * | * | trans | -91 | 138.1 | 172.6 | 56.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1250 | N | 25.5 | Very low | 25.5 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 70% | 0.702 | S | S | * | * | trans | 177.5 | 115 | 133 | -84.5 | -21.3 | 0 | 0 | 0 | 107.1 | ||||
| 1251 | N | 24.2 | Very low | 25.3 | Very low | 133 Ų | 133 | 124.7 Ų | 124.7 | 71% | 0.711 | 71% | 0.705 | S | S | * | * | 63.2 | 101.5 | 60.8 | -68.9 | -14.3 | 0 | 0 | 0 | 114.4 | |||||
| 1252 | H | 26.5 | Very low | 25.3 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 86% | 0.856 | 72% | 0.719 | S | S | * | * | -166.9 | 126.4 | 105.3 | -92.7 | -71.7 | 0 | 0 | 0 | 107.4 | |||||
| 1253 | A | 26.2 | Very low | 25.3 | Very low | 75 Ų | 75 | 133 Ų | 133 | 62% | 0.62 | 72% | 0.721 | S | S | * | * | 87.8 | 147.3 | 59.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1254 | N | 26.3 | Very low | 25.4 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 69% | 0.69 | 71% | 0.712 | S | S | * | * | cis | -98 | -145.3 | -7 | -55.9 | -44.8 | 0 | 0 | 0 | 109.1 | ||||
| 1255 | H | 28.6 | Very low | 25.2 | Very low | 155 Ų | 155 | 129.2 Ų | 129.2 | 72% | 0.718 | 70% | 0.7 | S | S | * | * | cis | -148.6 | 155.8 | -4.6 | -84.3 | -67 | 0 | 0 | 0 | 105.9 | ||||
| 1256 | N | 25.5 | Very low | 25 | Very low | 109 Ų | 109 | 126.4 Ų | 126.4 | 58% | 0.583 | 68% | 0.684 | S | S | * | * | cis | -150.6 | 150.6 | -12.2 | -121.3 | 25.7 | 0 | 0 | 0 | 109.4 | ||||
| 1257 | E | 23.6 | Very low | 25 | Very low | 165 Ų | 165 | 122.5 Ų | 122.5 | 77% | 0.771 | 67% | 0.668 | S | S | * | * | trans | 33.7 | 141.1 | 138.3 | -61.6 | 174.4 | 150.2 | 0 | 0 | 122.1 | ||||
| 1258 | S | 22.7 | Very low | 24.9 | Very low | 94 Ų | 94 | 121 Ų | 121 | 66% | 0.657 | 65% | 0.653 | S | S | * | * | cis | -174.3 | 179 | -8.2 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1259 | I | 26.4 | Very low | 24.8 | Very low | 152 Ų | 152 | 118.6 Ų | 118.6 | 78% | 0.779 | 63% | 0.634 | S | S | * | * | trans | 90.1 | 127.7 | 170.1 | -54.9 | 170.9 | 0 | 0 | 0 | 114.9 | ||||
| 1260 | I | 23.9 | Very low | 24.9 | Very low | 134 Ų | 134 | 118.9 Ų | 118.9 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | cis | 157.5 | 107.4 | -28.8 | -87.7 | 161.5 | 0 | 0 | 0 | 106 | ||||
| 1261 | S | 22.1 | Very low | 24.8 | Very low | 81 Ų | 81 | 120.2 Ų | 120.2 | 57% | 0.566 | 64% | 0.637 | S | S | * | * | trans | 57.6 | 152.7 | 153.1 | 66.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1262 | Y | 26.1 | Very low | 24.6 | Very low | 189 Ų | 189 | 118.9 Ų | 118.9 | 74% | 0.741 | 64% | 0.638 | S | S | * | * | cis | -149.4 | 166.8 | 26.3 | -85.4 | -83.6 | 0 | 0 | 0 | 111.8 | ||||
| 1263 | E | 25.1 | Very low | 24.4 | Very low | 155 Ų | 155 | 114.8 Ų | 114.8 | 72% | 0.724 | 62% | 0.623 | S | S | * | * | trans | 48.7 | 140.9 | 137.3 | -64.7 | 160 | -172.2 | 0 | 0 | 120.3 | ||||
| 1264 | D | 27.7 | Very low | 24.3 | Very low | 121 Ų | 121 | 116.8 Ų | 116.8 | 65% | 0.647 | 63% | 0.632 | S | S | * | * | cis | -159.2 | 151.9 | -5 | -120.6 | 0.5 | 0 | 0 | 0 | 112.5 | ||||
| 1265 | D | 24.4 | Very low | 24.2 | Very low | 73 Ų | 73 | 120.9 Ų | 120.9 | 39% | 0.39 | 64% | 0.644 | S | S | . | * | trans | 36.1 | 108.3 | 142.4 | -94.2 | -24.2 | 0 | 0 | 0 | 125 | R8 | R8-D1265 IonicContact CZ-OD2 3.91Å; R8-D1265 IonicContact NE-OD2 3.55Å; R8-D1265 VanDerWaalsContact NH1-CB 3.32Å; R8-D1265 IonicContact NH1-OD2 3.38Å; R8-D1265 PolarHBondContact NH1-OD2 3.29Å; R8-D1265 IonicContact NH2-OD1 3.46Å; R8-D1265 IonicContact NH2-OD2 2.7Å; R8-D1265 PolarHBondContact NH2-OD2 3.42Å; R8-D1265 VanDerWaalsContact NH2-OD2 3.09Å | ||
| 1266 | S | 22.7 | Very low | 24.1 | Very low | 63 Ų | 63 | 121.9 Ų | 121.9 | 44% | 0.441 | 65% | 0.647 | S | S | . | * | 43.9 | 130 | 117.4 | 61.2 | 0 | 0 | 0 | 0 | 122.7 | R8 D32 | R8-S1266 PolarHBondContact NH2-OG 3.26Å; D32-S1266 WeakPolarHBondContact CB-O 3.35Å | |||
| 1267 | G | 25.2 | Very low | 24.1 | Very low | 41 Ų | 41 | 123.7 Ų | 123.7 | 42% | 0.423 | 65% | 0.651 | S | S | . | * | trans | -155.9 | -19.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 1268 | I | 24.6 | Very low | 24.1 | Very low | 92 Ų | 92 | 125 Ų | 125 | 47% | 0.472 | 66% | 0.657 | S | S | . | * | trans | 59.3 | 151 | 164.4 | -7.6 | 177.3 | 0 | 0 | 0 | 122 | T29 | T29-I1268 HydrophobicContact CG2-CD1 4.02Å; T29-I1268 WeakPolarHBondContact OG1-CD1 3.44Å | ||
| 1269 | Y | 23.1 | Very low | 24.2 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 43% | 0.427 | 67% | 0.666 | S | S | . | * | trans | 89.8 | 111.8 | 157.6 | -92.4 | -97.1 | 0 | 0 | 0 | 124 | N38 R58 | N38-Y1269 HydrophobicContact CB-CD2 4.37Å; N38-Y1269 HydrophobicContact CB-CE2 3.58Å; N38-Y1269 WeakPolarHBondContact ND2-CD2 3.37Å; N38-Y1269 WeakPolarHBondContact ND2-CE2 3.16Å; N38-Y1269 WeakPolarHBondContact OD1-CE2 3.28Å; R58-Y1269 WeakPolarHBondContact CB-OH 3.48Å; R58-Y1269 WeakPolarHBondContact CD-OH 3.34Å | ||
| 1270 | S | 21.9 | Very low | 24.1 | Very low | 95 Ų | 95 | 125.7 Ų | 125.7 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | trans | 72.4 | 154.1 | 138.9 | 66.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1271 | Q | 23.4 | Very low | 24.2 | Very low | 175 Ų | 175 | 124.4 Ų | 124.4 | 82% | 0.818 | 67% | 0.665 | S | S | * | * | trans | 69.7 | 123.8 | 166.8 | -67.7 | 177.6 | -24.9 | 0 | 0 | 118.5 | ||||
| 1272 | S | 20.4 | Very low | 24.3 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 67% | 0.674 | S | S | * | * | S | Bend | 38.8 | 93.2 | 124.4 | -44.7 | 0 | 0 | 0 | 0 | 118 | |||
| 1273 | N | 22.5 | Very low | 24.2 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 53% | 0.529 | 68% | 0.676 | S | S | . | * | trans | 45.7 | 82.7 | 142.5 | -58.6 | 21 | 0 | 0 | 0 | 117.4 | E1191 | E1191-N1273 VanDerWaalsContact CD-ND2 3.25Å; E1191-N1273 PolarHBondContact OE1-ND2 2.88Å; E1191-N1273 PolarHBondContact OE2-ND2 2.87Å | ||
| 1274 | S | 25 | Very low | 24.1 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 83% | 0.825 | 68% | 0.675 | S | S | * | * | trans | -150.8 | 86 | 146 | -87.1 | 0 | 0 | 0 | 0 | 112.3 | K1276 | S1274-K1276 PolarHBondContact O-N 3.44Š| ||
| 1275 | F | 23.1 | Very low | 23.9 | Very low | 215 Ų | 215 | 123.9 Ų | 123.9 | 94% | 0.943 | 68% | 0.683 | S | S | * | * | trans | -66.6 | 108.9 | 159.7 | -139.5 | -85.5 | 0 | 0 | 0 | 108.3 | ||||
| 1276 | K | 26.2 | Very low | 23.9 | Very low | 176 Ų | 176 | 128.2 Ų | 128.2 | 77% | 0.765 | 71% | 0.705 | S | S | * | * | trans | -147.5 | 93.2 | 170 | -147.7 | 168.5 | -171.5 | 169 | 0 | 115.2 | S1274 | S1274-K1276 PolarHBondContact O-N 3.44Š| ||
| 1277 | H | 26.3 | Very low | 24 | Very low | 147 Ų | 147 | 133.4 Ų | 133.4 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | trans | 49.4 | 114.2 | 156.8 | -67.3 | -106.1 | 0 | 0 | 0 | 118.4 | ||||
| 1278 | Q | 24.5 | Very low | 24.1 | Very low | 192 Ų | 192 | 135.5 Ų | 135.5 | 90% | 0.897 | 74% | 0.741 | S | S | * | * | -133.3 | 117.1 | 102 | -107.2 | 176.4 | -1.8 | 0 | 0 | 109.8 | |||||
| 1279 | L | 23.4 | Very low | 24.3 | Very low | 160 Ų | 160 | 137.4 Ų | 137.4 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | -148.4 | 112.7 | 167.4 | -141.9 | 166 | 0 | 0 | 0 | 106.9 | ||||
| 1280 | S | 25.7 | Very low | 24.5 | Very low | 100 Ų | 100 | 141.3 Ų | 141.3 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -158.6 | 125.8 | 179.6 | 52.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 1281 | S | 24.9 | Very low | 25 | Very low | 108 Ų | 108 | 142 Ų | 142 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | cis | -164.4 | 145.2 | -0.3 | 47.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 1282 | S | 23.6 | Very low | 25.7 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | -156.4 | 150.5 | 82.7 | 51.6 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1283 | N | 23.7 | Very low | 26.7 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 75% | 0.745 | S | S | * | * | trans | -15.1 | 141.5 | 155.9 | -46 | -16.9 | 0 | 0 | 0 | 115 | ||||
| 1284 | E | 22.9 | Very low | 27.8 | Very low | 149 Ų | 149 | 135.8 Ų | 135.8 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | -139.9 | 168.4 | 53.4 | -74.8 | -168.2 | 139.4 | 0 | 0 | 117.8 | |||||
| 1285 | T | 23.9 | Very low | 28.6 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | trans | -20.8 | 115 | 178.1 | 53.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1286 | L | 24.5 | Very low | 29.5 | Very low | 164 Ų | 164 | 125.2 Ų | 125.2 | 86% | 0.859 | 69% | 0.689 | S | S | * | * | trans | -146.7 | 111.8 | 145.1 | -114.4 | 171.9 | 0 | 0 | 0 | 110.8 | A1288 | L1286-A1288 PolarHBondContact O-N 3.22Š| ||
| 1287 | N | 24.6 | Very low | 30.6 | Very low | 171 Ų | 171 | 121.4 Ų | 121.4 | 91% | 0.914 | 67% | 0.673 | S | S | * | * | trans | -80.3 | 99.2 | 178.8 | -82.5 | -34.3 | 0 | 0 | 0 | 111 | ||||
| 1288 | A | 27.2 | Very low | 31.7 | Very low | 86 Ų | 86 | 121.8 Ų | 121.8 | 71% | 0.711 | 68% | 0.675 | S | S | * | * | trans | -113.1 | 71.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1286 | L1286-A1288 PolarHBondContact O-N 3.22Š| ||
| 1289 | T | 29.8 | Very low | 32.6 | Very low | 132 Ų | 132 | 119.7 Ų | 119.7 | 81% | 0.81 | 66% | 0.663 | S | S | * | * | trans | 36 | 87.9 | 155.6 | 56.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1290 | F | 27.1 | Very low | 33.5 | Very low | 191 Ų | 191 | 113 Ų | 113 | 84% | 0.838 | 63% | 0.628 | S | S | * | * | trans | -62.4 | 133.5 | 145.9 | -78.7 | -87.3 | 0 | 0 | 0 | 108.8 | T1292 | F1290-T1292 PolarHBondContact O-N 3.49Å; F1290-T1292 VanDerWaalsContact O-N 3.09Å | ||
| 1291 | I | 32.1 | Very low | 34.7 | Very low | 108 Ų | 108 | 114.7 Ų | 114.7 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | trans | -67.4 | 107.9 | 168.2 | -59.6 | 174.5 | 0 | 0 | 0 | 107.1 | I1296 | I1291-I1296 HydrophobicContact CG2-CD1 3.85Å; I1291-I1296 HydrophobicContact CG2-CG1 3.64Å | ||
| 1292 | T | 37.8 | Very low | 35.3 | Very low | 67 Ų | 67 | 113 Ų | 113 | 41% | 0.411 | 61% | 0.607 | S | S | . | * | trans | -83.9 | 162.2 | 178.1 | 72 | 0 | 0 | 0 | 0 | 110.7 | F1290 D1294 S1295 I1296 | F1290-T1292 PolarHBondContact O-N 3.49Å; F1290-T1292 VanDerWaalsContact O-N 3.09Å; T1292-D1294 PolarHBondContact O-N 3.49Å; T1292-D1294 PolarHBondContact OG1-N 2.93Å; T1292-S1295 WeakPolarHBondContact O-CB 3.27Å; T1292-S1295 PolarHBondContact O-N 3.44Å; T1292-S1295 PolarHBondContact OG1-N 2.86Å; T1292-S1295 PolarHBondContact OG1-OG 2.72Å; T1292-S1295 VanDerWaalsContact OG1-OG 3.12Å; T1292-I1296 PolarHBondContact O-N 2.88Å; T1292-I1296 VanDerWaalsContact O-N 3.09Å | ||
| 1293 | V | 42.9 | Very low | 36 | Very low | 95 Ų | 95 | 109.5 Ų | 109.5 | 58% | 0.576 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.2 | -31.2 | 171.4 | 177.7 | 0 | 0 | 0 | 0 | 110.7 | I1296 K1297 | V1293-I1296 PolarHBondContact O-N 3.02Å; V1293-K1297 WeakPolarHBondContact O-CG 3.3Å; V1293-K1297 PolarHBondContact O-N 2.87Å |
| 1294 | D | 45.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 105.5 Ų | 105.5 | 47% | 0.465 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -79.7 | -29.9 | 178.7 | -55.8 | -60.7 | 0 | 0 | 0 | 112.9 | T1292 I1296 K1297 Q1298 | T1292-D1294 PolarHBondContact O-N 3.49Å; T1292-D1294 PolarHBondContact OG1-N 2.93Å; D1294-I1296 VanDerWaalsContact C-N 3.3Å; D1294-I1296 PolarHBondContact O-N 3.25Å; D1294-K1297 PolarHBondContact O-N 2.85Å; D1294-K1297 WeakPolarHBondContact OD1-CD 3.08Å; D1294-K1297 IonicContact OD1-NZ 2.74Å; D1294-K1297 PolarHBondContact OD1-NZ 3.11Å; D1294-Q1298 WeakPolarHBondContact O-CB 3.39Å; D1294-Q1298 WeakPolarHBondContact O-CG 3.29Å; D1294-Q1298 PolarHBondContact O-N 3.03Å |
| 1295 | S | 42.1 | Very low | 38.3 | Very low | 53 Ų | 53 | 105 Ų | 105 | 37% | 0.371 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -59.7 | -41.9 | 164.5 | -56.2 | 0 | 0 | 0 | 0 | 111.3 | T1292 Q1298 F1299 | T1292-S1295 WeakPolarHBondContact O-CB 3.27Å; T1292-S1295 PolarHBondContact O-N 3.44Å; T1292-S1295 PolarHBondContact OG1-N 2.86Å; T1292-S1295 PolarHBondContact OG1-OG 2.72Å; T1292-S1295 VanDerWaalsContact OG1-OG 3.12Å; S1295-Q1298 PolarHBondContact O-N 3.25Å; S1295-F1299 WeakPolarHBondContact O-CB 3.5Å; S1295-F1299 PolarHBondContact O-N 3.27Å |
| 1296 | I | 41.1 | Very low | 39.1 | Very low | 57 Ų | 57 | 104.5 Ų | 104.5 | 29% | 0.292 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.9 | -43.2 | 176.2 | -65 | 171.2 | 0 | 0 | 0 | 110.8 | I1291 T1292 V1293 D1294 Q1298 F1299 L1300 W1342 | I1291-I1296 HydrophobicContact CG2-CD1 3.85Å; I1291-I1296 HydrophobicContact CG2-CG1 3.64Å; T1292-I1296 PolarHBondContact O-N 2.88Å; T1292-I1296 VanDerWaalsContact O-N 3.09Å; V1293-I1296 PolarHBondContact O-N 3.02Å; D1294-I1296 VanDerWaalsContact C-N 3.3Å; D1294-I1296 PolarHBondContact O-N 3.25Å; I1296-Q1298 VanDerWaalsContact C-N 3.35Å; I1296-Q1298 PolarHBondContact O-N 3.38Å; I1296-F1299 PolarHBondContact O-N 3.16Å; I1296-L1300 HydrophobicContact CG2-CD1 3.78Å; I1296-L1300 HydrophobicContact CG2-CG 4.24Å; I1296-L1300 WeakPolarHBondContact O-CB 3.42Å; I1296-L1300 VanDerWaalsContact O-CG 3.25Å; I1296-L1300 WeakPolarHBondContact O-CG 3.45Å; I1296-L1300 PolarHBondContact O-N 3.01Å; I1296-W1342 HydrophobicContact CG2-CH2 4.43Å |
| 1297 | K | 48.6 | Very low | 39.5 | Very low | 96 Ų | 96 | 99.6 Ų | 99.6 | 42% | 0.417 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.5 | -40.8 | 174.1 | -74.8 | 177.8 | -167.4 | 154.2 | 0 | 112.8 | V1293 D1294 L1300 Y1301 L1311 | V1293-K1297 WeakPolarHBondContact O-CG 3.3Å; V1293-K1297 PolarHBondContact O-N 2.87Å; D1294-K1297 PolarHBondContact O-N 2.85Å; D1294-K1297 WeakPolarHBondContact OD1-CD 3.08Å; D1294-K1297 IonicContact OD1-NZ 2.74Å; D1294-K1297 PolarHBondContact OD1-NZ 3.11Å; K1297-L1300 PolarHBondContact O-N 3.4Å; K1297-Y1301 PolarHBondContact O-N 3.15Å; K1297-L1311 HydrophobicContact CG-CD1 4.14Å |
| 1298 | Q | 50.4 | Low | 39.7 | Very low | 155 Ų | 155 | 96.4 Ų | 96.4 | 72% | 0.724 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.8 | -42.1 | 176.8 | -77.6 | -178.5 | -16.4 | 0 | 0 | 111.3 | D1294 S1295 I1296 Y1301 | D1294-Q1298 WeakPolarHBondContact O-CB 3.39Å; D1294-Q1298 WeakPolarHBondContact O-CG 3.29Å; D1294-Q1298 PolarHBondContact O-N 3.03Å; S1295-Q1298 PolarHBondContact O-N 3.25Å; I1296-Q1298 VanDerWaalsContact C-N 3.35Å; I1296-Q1298 PolarHBondContact O-N 3.38Å; Q1298-Y1301 VanDerWaalsContact O-CB 3.25Å; Q1298-Y1301 WeakPolarHBondContact O-CB 3.45Å; Q1298-Y1301 PolarHBondContact O-N 3.33Å |
| 1299 | F | 43.7 | Very low | 39.7 | Very low | 149 Ų | 149 | 93.8 Ų | 93.8 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 174.9 | -173.1 | -101.3 | 0 | 0 | 0 | 112.5 | S1295 I1296 Y1301 P1302 | S1295-F1299 WeakPolarHBondContact O-CB 3.5Å; S1295-F1299 PolarHBondContact O-N 3.27Å; I1296-F1299 PolarHBondContact O-N 3.16Å; F1299-Y1301 VanDerWaalsContact C-N 3.31Å; F1299-Y1301 PolarHBondContact O-N 2.91Å; F1299-P1302 WeakPolarHBondContact O-CD 3.49Å |
| 1300 | L | 41.6 | Very low | 39.8 | Very low | 20 Ų | 20 | 98.3 Ų | 98.3 | 11% | 0.105 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -77.2 | -10.5 | 175.5 | -66.6 | 172 | 0 | 0 | 0 | 114.2 | I1296 K1297 P1302 A1303 I1304 L1311 W1342 | I1296-L1300 HydrophobicContact CG2-CD1 3.78Å; I1296-L1300 HydrophobicContact CG2-CG 4.24Å; I1296-L1300 WeakPolarHBondContact O-CB 3.42Å; I1296-L1300 VanDerWaalsContact O-CG 3.25Å; I1296-L1300 WeakPolarHBondContact O-CG 3.45Å; I1296-L1300 PolarHBondContact O-N 3.01Å; K1297-L1300 PolarHBondContact O-N 3.4Å; L1300-P1302 VanDerWaalsContact C-CD 3.45Å; L1300-P1302 VanDerWaalsContact C-N 3.34Å; L1300-A1303 PolarHBondContact O-N 3.18Å; L1300-I1304 HydrophobicContact CB-CD1 3.69Å; L1300-I1304 HydrophobicContact CB-CG1 4.18Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.4Å; L1300-I1304 PolarHBondContact O-N 3.13Å; L1300-L1311 HydrophobicContact CD1-CD1 4.44Å; L1300-L1311 HydrophobicContact CD1-CD2 4.43Å; L1300-W1342 HydrophobicContact CD1-CH2 3.88Å; L1300-W1342 HydrophobicContact CD1-CZ3 3.91Å; L1300-W1342 HydrophobicContact CD2-CH2 4.3Å; L1300-W1342 HydrophobicContact CD2-CZ3 4.18Å |
| 1301 | Y | 50.6 | Low | 39.9 | Very low | 135 Ų | 135 | 93.7 Ų | 93.7 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -54.6 | -40.3 | -170.5 | -170.1 | -94.7 | 0 | 0 | 0 | 113.7 | K1297 Q1298 F1299 I1304 Q1305 | K1297-Y1301 PolarHBondContact O-N 3.15Å; Q1298-Y1301 VanDerWaalsContact O-CB 3.25Å; Q1298-Y1301 WeakPolarHBondContact O-CB 3.45Å; Q1298-Y1301 PolarHBondContact O-N 3.33Å; F1299-Y1301 VanDerWaalsContact C-N 3.31Å; F1299-Y1301 PolarHBondContact O-N 2.91Å; Y1301-I1304 PolarHBondContact O-N 3.23Å; Y1301-Q1305 HydrophobicContact CD1-CG 4.15Å; Y1301-Q1305 HydrophobicContact CE1-CG 3.76Å; Y1301-Q1305 PolarHBondContact O-N 2.94Å |
| 1302 | P | 38.6 | Very low | 39.7 | Very low | 73 Ų | 73 | 94.8 Ų | 94.8 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.9 | -46.6 | 173.1 | -21.4 | 34.5 | 0 | 0 | 0 | 112.8 | F1299 L1300 I1304 Q1305 I1306 | F1299-P1302 WeakPolarHBondContact O-CD 3.49Å; L1300-P1302 VanDerWaalsContact C-CD 3.45Å; L1300-P1302 VanDerWaalsContact C-N 3.34Å; P1302-I1304 VanDerWaalsContact C-N 3.27Å; P1302-I1304 PolarHBondContact O-N 2.73Å; P1302-Q1305 PolarHBondContact O-N 2.99Å; P1302-I1306 VanDerWaalsContact O-CG1 3.27Å; P1302-I1306 WeakPolarHBondContact O-CG1 3.42Å; P1302-I1306 PolarHBondContact O-N 3.5Å |
| 1303 | A | 37.7 | Very low | 39.2 | Very low | 34 Ų | 34 | 98.7 Ų | 98.7 | 28% | 0.281 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -31.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | L1300 G1307 W1308 | L1300-A1303 PolarHBondContact O-N 3.18Å; A1303-G1307 PolarHBondContact O-N 3.35Å; A1303-W1308 PolarHBondContact O-N 2.83Å |
| 1304 | I | 53.3 | Low | 38.3 | Very low | 62 Ų | 62 | 103.6 Ų | 103.6 | 32% | 0.318 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -42.7 | 173.1 | -65.8 | 164.9 | 0 | 0 | 0 | 110.7 | L1300 Y1301 P1302 G1307 L1311 | L1300-I1304 HydrophobicContact CB-CD1 3.69Å; L1300-I1304 HydrophobicContact CB-CG1 4.18Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.4Å; L1300-I1304 PolarHBondContact O-N 3.13Å; Y1301-I1304 PolarHBondContact O-N 3.23Å; P1302-I1304 VanDerWaalsContact C-N 3.27Å; P1302-I1304 PolarHBondContact O-N 2.73Å; I1304-G1307 PolarHBondContact O-N 2.97Å; I1304-G1307 VanDerWaalsContact O-N 3.16Å; I1304-L1311 HydrophobicContact CD1-CD1 3.82Å; I1304-L1311 HydrophobicContact CD1-CG 4.47Å |
| 1305 | Q | 40.9 | Very low | 37.2 | Very low | 137 Ų | 137 | 104.6 Ų | 104.6 | 64% | 0.64 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -37.3 | 177.6 | -80.8 | -161 | -57.7 | 0 | 0 | 113.5 | Y1301 P1302 G1307 | Y1301-Q1305 HydrophobicContact CD1-CG 4.15Å; Y1301-Q1305 HydrophobicContact CE1-CG 3.76Å; Y1301-Q1305 PolarHBondContact O-N 2.94Å; P1302-Q1305 PolarHBondContact O-N 2.99Å; Q1305-G1307 PolarHBondContact O-N 3.06Å |
| 1306 | I | 41.3 | Very low | 36.3 | Very low | 123 Ų | 123 | 109.5 Ų | 109.5 | 63% | 0.631 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -7.4 | 177.4 | -49.4 | 160.2 | 0 | 0 | 0 | 110.6 | P1302 | P1302-I1306 VanDerWaalsContact O-CG1 3.27Å; P1302-I1306 WeakPolarHBondContact O-CG1 3.42Å; P1302-I1306 PolarHBondContact O-N 3.5Å |
| 1307 | G | 32 | Very low | 35.5 | Very low | 61 Ų | 61 | 113.9 Ų | 113.9 | 63% | 0.629 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 87 | 9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | A1303 I1304 Q1305 C1309 | A1303-G1307 PolarHBondContact O-N 3.35Å; I1304-G1307 PolarHBondContact O-N 2.97Å; I1304-G1307 VanDerWaalsContact O-N 3.16Å; Q1305-G1307 PolarHBondContact O-N 3.06Å; G1307-C1309 VanDerWaalsContact C-N 3.31Å; G1307-C1309 PolarHBondContact O-N 3.21Å |
| 1308 | W | 29.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 119 Ų | 119 | 39% | 0.394 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -76.6 | -15.5 | -174.9 | -71.8 | 53.1 | 0 | 0 | 0 | 113.4 | P1170 A1172 W1173 A1303 | P1170-W1308 HydrophobicContact CB-CH2 4.18Å; P1170-W1308 HydrophobicContact CB-CZ3 4.32Å; A1172-W1308 HydrophobicContact CB-CD2 4.47Å; A1172-W1308 HydrophobicContact CB-CE3 3.85Å; A1172-W1308 HydrophobicContact CB-CH2 4.07Å; A1172-W1308 HydrophobicContact CB-CZ3 3.64Å; W1173-W1308 AromaticContact CD1-CZ3 3.8Å; W1173-W1308 AromaticContact NE1-CZ3 3.88Å; A1303-W1308 PolarHBondContact O-N 2.83Å |
| 1309 | C | 27 | Very low | 33 | Very low | 30 Ų | 30 | 117.7 Ų | 117.7 | 20% | 0.203 | 59% | 0.587 | C | S | . | * | trans | -143.5 | 124 | 176.6 | -84.3 | 0 | 0 | 0 | 0 | 111.6 | G1307 | G1307-C1309 VanDerWaalsContact C-N 3.31Å; G1307-C1309 PolarHBondContact O-N 3.21Å | ||
| 1310 | R | 31.6 | Very low | 32.1 | Very low | 227 Ų | 227 | 115 Ų | 115 | 86% | 0.857 | 59% | 0.593 | S | S | * | * | trans | -97.4 | 117.2 | 163 | -90.1 | -177.4 | 166.6 | 171 | -3.1 | 109.7 | L1312 | R1310-L1312 VanDerWaalsContact C-N 3.31Å; R1310-L1312 PolarHBondContact O-N 2.79Å | ||
| 1311 | L | 29.4 | Very low | 31.4 | Very low | 95 Ų | 95 | 121.2 Ų | 121.2 | 50% | 0.497 | 63% | 0.626 | S | S | . | * | trans | -68.8 | 86.3 | 170 | -83.1 | 168.8 | 0 | 0 | 0 | 110.3 | K1297 L1300 I1304 | K1297-L1311 HydrophobicContact CG-CD1 4.14Å; L1300-L1311 HydrophobicContact CD1-CD1 4.44Å; L1300-L1311 HydrophobicContact CD1-CD2 4.43Å; I1304-L1311 HydrophobicContact CD1-CD1 3.82Å; I1304-L1311 HydrophobicContact CD1-CG 4.47Å | ||
| 1312 | L | 27.5 | Very low | 30.2 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | trans | -102.4 | 88.5 | -176.6 | -136.8 | 168.2 | 0 | 0 | 0 | 110 | R1310 R1314 | R1310-L1312 VanDerWaalsContact C-N 3.31Å; R1310-L1312 PolarHBondContact O-N 2.79Å; L1312-R1314 HydrophobicContact CD2-CG 4.34Å; L1312-R1314 PolarHBondContact O-N 2.83Å | ||
| 1313 | I | 26.8 | Very low | 29.4 | Very low | 149 Ų | 149 | 126.7 Ų | 126.7 | 76% | 0.764 | 65% | 0.652 | S | S | * | * | trans | -68.2 | 93.6 | 175.2 | -56.9 | 174.6 | 0 | 0 | 0 | 108.4 | P1315 | I1313-P1315 WeakPolarHBondContact O-CD 3.42Š| ||
| 1314 | R | 24.3 | Very low | 28.8 | Very low | 197 Ų | 197 | 130.9 Ų | 130.9 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -74.3 | 119.5 | 170.5 | -83.3 | -172.7 | 167.4 | 176.2 | -2.4 | 109.9 | L1312 | L1312-R1314 HydrophobicContact CD2-CG 4.34Å; L1312-R1314 PolarHBondContact O-N 2.83Å | ||
| 1315 | P | 23.9 | Very low | 27.4 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 71% | 0.708 | 69% | 0.691 | S | S | * | * | trans | -65.1 | 136.9 | 163.3 | 29.1 | -32.9 | 0 | 0 | 0 | 109.1 | I1313 I1317 | I1313-P1315 WeakPolarHBondContact O-CD 3.42Å; P1315-I1317 PolarHBondContact O-N 3.19Å | ||
| 1316 | N | 22.7 | Very low | 26.5 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 83% | 0.834 | 69% | 0.691 | S | S | * | * | trans | -81.7 | 89.1 | -172.8 | -172.7 | -2.3 | 0 | 0 | 0 | 111.4 | ||||
| 1317 | I | 23.8 | Very low | 25.7 | Very low | 148 Ų | 148 | 136 Ų | 136 | 76% | 0.759 | 69% | 0.691 | S | S | * | * | trans | -134.1 | 142.9 | 172.4 | -54.9 | -176.9 | 0 | 0 | 0 | 109.4 | P1315 | P1315-I1317 PolarHBondContact O-N 3.19Š| ||
| 1318 | Y | 22.9 | Very low | 25.3 | Very low | 205 Ų | 205 | 137.7 Ų | 137.7 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | trans | -65.9 | 158.3 | 176.6 | -81.2 | -107.1 | 0 | 0 | 0 | 112.3 | A1320 | Y1318-A1320 PolarHBondContact O-N 3.01Š| ||
| 1319 | P | 23.9 | Very low | 25.3 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 69% | 0.688 | S | S | * | * | trans | -67.9 | 123.6 | -175.6 | 27.1 | -35.3 | 0 | 0 | 0 | 113.3 | ||||
| 1320 | A | 24.2 | Very low | 25.2 | Very low | 94 Ų | 94 | 138.5 Ų | 138.5 | 78% | 0.777 | 69% | 0.693 | S | S | * | * | trans | -149.7 | 145.4 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | Y1318 | Y1318-A1320 PolarHBondContact O-N 3.01Š| ||
| 1321 | N | 26.4 | Very low | 25.2 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | trans | -88 | 137.4 | -159 | -57.9 | -4.3 | 0 | 0 | 0 | 114.3 | ||||
| 1322 | D | 25.3 | Very low | 25.1 | Very low | 141 Ų | 141 | 134 Ų | 134 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | 38.7 | 154.5 | 141.3 | -54.6 | -31.1 | 0 | 0 | 0 | 124.7 | ||||
| 1323 | F | 23.3 | Very low | 25 | Very low | 181 Ų | 181 | 134.9 Ų | 134.9 | 79% | 0.794 | 69% | 0.69 | S | S | * | * | trans | 86.3 | 81.3 | 161.5 | -74.4 | -78.9 | 0 | 0 | 0 | 121.7 | ||||
| 1324 | L | 24.9 | Very low | 25 | Very low | 123 Ų | 123 | 133 Ų | 133 | 64% | 0.644 | 69% | 0.691 | S | S | * | * | 81.4 | 105 | 107 | -153.6 | 151.9 | 0 | 0 | 0 | 120.3 | |||||
| 1325 | F | 22.4 | Very low | 25.2 | Very low | 174 Ų | 174 | 128.5 Ų | 128.5 | 76% | 0.763 | 69% | 0.687 | S | S | * | * | trans | 68.4 | 147.9 | 156.6 | -70.5 | -137.1 | 0 | 0 | 0 | 117 | ||||
| 1326 | D | 22.7 | Very low | 25.2 | Very low | 123 Ų | 123 | 134.2 Ų | 134.2 | 66% | 0.658 | 69% | 0.694 | S | S | * | * | cis | -145.3 | 171.8 | 1.3 | -137 | -15.1 | 0 | 0 | 0 | 113.4 | ||||
| 1327 | E | 24 | Very low | 25.3 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 62% | 0.617 | 70% | 0.695 | S | S | * | * | trans | 13.6 | 142 | 156.3 | -68.6 | -154.4 | 130.4 | 0 | 0 | 121.5 | ||||
| 1328 | K | 25 | Very low | 25.4 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 42% | 0.417 | 70% | 0.699 | S | S | . | * | cis | -172.5 | 132.2 | 24.2 | -136.7 | 167.1 | -176.2 | 138 | 0 | 116 | I1879 L1880 | K1328-I1879 VanDerWaalsContact O-CD1 3.29Å; K1328-I1879 WeakPolarHBondContact O-CD1 3.31Å; K1328-I1879 VanDerWaalsContact O-CG2 3.24Å; K1328-I1879 WeakPolarHBondContact O-CG2 3.46Å; K1328-L1880 HydrophobicContact CB-CD1 3.42Å; K1328-L1880 VanDerWaalsContact CB-CD1 3.42Å; K1328-L1880 HydrophobicContact CD-CD1 3.76Å; K1328-L1880 HydrophobicContact CG-CD1 3.48Å; K1328-L1880 VanDerWaalsContact CG-CD1 3.48Å | ||
| 1329 | I | 28.4 | Very low | 25.4 | Very low | 109 Ų | 109 | 137 Ų | 137 | 56% | 0.559 | 70% | 0.701 | S | S | * | * | trans | 44.1 | 133.3 | 144.2 | -50.2 | 166.6 | 0 | 0 | 0 | 125.5 | I1879 L1880 | I1329-I1879 WeakPolarHBondContact O-CD1 3.28Å; I1329-I1879 WeakPolarHBondContact O-CG1 3.36Å; I1329-L1880 HydrophobicContact CB-CD1 3.6Å; I1329-L1880 HydrophobicContact CB-CD2 4.1Å; I1329-L1880 HydrophobicContact CB-CG 4.16Å; I1329-L1880 HydrophobicContact CD1-CD1 4.4Å; I1329-L1880 HydrophobicContact CG1-CD1 4.34Å; I1329-L1880 HydrophobicContact CG2-CD1 4.46Å; I1329-L1880 HydrophobicContact CG2-CD2 4.05Å | ||
| 1330 | S | 26.8 | Very low | 25.4 | Very low | 43 Ų | 43 | 138 Ų | 138 | 30% | 0.301 | 70% | 0.698 | S | S | . | * | trans | 92.9 | 113.1 | 156 | 66.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1331 | V | 30.2 | Very low | 25.5 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 64% | 0.642 | 70% | 0.696 | S | S | * | * | cis | 84.9 | 146.7 | 46.8 | 179 | 0 | 0 | 0 | 0 | 109.5 | D1895 | V1331-D1895 VanDerWaalsContact CB-OD1 3.31Å; V1331-D1895 WeakPolarHBondContact CB-OD1 3.32Å; V1331-D1895 VanDerWaalsContact CG1-OD1 3.32Å; V1331-D1895 WeakPolarHBondContact CG1-OD1 3.2Å; V1331-D1895 WeakPolarHBondContact O-CB 3.46Å | ||
| 1332 | N | 27 | Very low | 25.4 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 65% | 0.647 | 68% | 0.676 | S | S | * | * | cis | -120.6 | -162.4 | 28.9 | -141.5 | -65.4 | 0 | 0 | 0 | 117.4 | D1895 | N1332-D1895 HydrophobicContact CB-CB 4.18Å; N1332-D1895 WeakPolarHBondContact CB-OD2 3.25Å; N1332-D1895 PolarHBondContact ND2-OD2 3.08Å | ||
| 1333 | H | 26.9 | Very low | 25.4 | Very low | 149 Ų | 149 | 136 Ų | 136 | 69% | 0.69 | 66% | 0.662 | S | S | * | * | trans | -145.4 | 157.4 | -149.4 | -164.6 | -117.7 | 0 | 0 | 0 | 114.5 | ||||
| 1334 | S | 26 | Very low | 25.6 | Very low | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 64% | 0.639 | S | S | * | * | trans | -148 | 133.1 | 156.9 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1335 | P | 28.6 | Very low | 25.7 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 66% | 0.656 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 136.4 | -145 | 34.3 | -35.7 | 0 | 0 | 0 | 115.8 | ||
| 1336 | R | 23.8 | Very low | 25.9 | Very low | 230 Ų | 230 | 128.9 Ų | 128.9 | 87% | 0.868 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 144.5 | 155.6 | -74.8 | 179.4 | 171.4 | 168.5 | -2.7 | 109.6 | Q1338 | R1336-Q1338 PolarHBondContact O-N 3.43Š|
| 1337 | K | 24.6 | Very low | 26.1 | Very low | 195 Ų | 195 | 128.3 Ų | 128.3 | 85% | 0.848 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -57 | 119.3 | 171.2 | -64.8 | -179.2 | 179.8 | -178.8 | 0 | 109.6 | ||
| 1338 | Q | 25.2 | Very low | 26.1 | Very low | 182 Ų | 182 | 129 Ų | 129 | 85% | 0.85 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 127.7 | 164.7 | -70.4 | 177.3 | -16.7 | 0 | 0 | 108.2 | R1336 | R1336-Q1338 PolarHBondContact O-N 3.43Š|
| 1339 | F | 23.9 | Very low | 26.1 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 83% | 0.833 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 134.9 | 166.5 | -73.8 | -96.2 | 0 | 0 | 0 | 108.2 | ||
| 1340 | L | 24.2 | Very low | 26 | Very low | 146 Ų | 146 | 130.6 Ų | 130.6 | 76% | 0.764 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 124.6 | 167.7 | -75.8 | 162.4 | 0 | 0 | 0 | 108.1 | ||
| 1341 | Q | 25.8 | Very low | 26 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 69% | 0.689 | S | S | * | * | trans | -115.9 | 143.3 | 166.3 | -175.6 | 171.6 | 2.8 | 0 | 0 | 108.2 | ||||
| 1342 | W | 24 | Very low | 25.6 | Very low | 101 Ų | 101 | 139 Ų | 139 | 38% | 0.383 | 69% | 0.691 | S | S | . | * | trans | -107.7 | 131.9 | -179 | -56.8 | 83.1 | 0 | 0 | 0 | 109.1 | I1296 L1300 | I1296-W1342 HydrophobicContact CG2-CH2 4.43Å; L1300-W1342 HydrophobicContact CD1-CH2 3.88Å; L1300-W1342 HydrophobicContact CD1-CZ3 3.91Å; L1300-W1342 HydrophobicContact CD2-CH2 4.3Å; L1300-W1342 HydrophobicContact CD2-CZ3 4.18Å | ||
| 1343 | N | 25.9 | Very low | 25.5 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 46% | 0.46 | 70% | 0.696 | S | S | . | * | trans | -128.8 | 108.3 | 170.6 | -72.3 | 88.6 | 0 | 0 | 0 | 108.2 | Y1345 | N1343-Y1345 HydrophobicContact CB-CD2 4.2Å; N1343-Y1345 HydrophobicContact CB-CE2 3.82Å; N1343-Y1345 PolarHBondContact O-N 3.14Å | ||
| 1344 | V | 28 | Very low | 25.5 | Very low | 50 Ų | 50 | 138.1 Ų | 138.1 | 30% | 0.303 | 70% | 0.703 | S | S | . | * | trans | -88.9 | 96.3 | 176.7 | -178.9 | 0 | 0 | 0 | 0 | 108.6 | V1109 L1346 | V1109-V1344 HydrophobicContact CG1-CB 4.26Å; V1109-V1344 HydrophobicContact CG1-CG1 4.4Å; V1109-V1344 HydrophobicContact CG1-CG2 4.48Å; V1344-L1346 HydrophobicContact CG1-CG 4.39Å; V1344-L1346 PolarHBondContact O-N 3.46Å | ||
| 1345 | Y | 25.6 | Very low | 25.3 | Very low | 182 Ų | 182 | 139.6 Ų | 139.6 | 71% | 0.714 | 70% | 0.701 | S | S | * | * | trans | -83.1 | 105 | 172 | -73.7 | -84.2 | 0 | 0 | 0 | 110.1 | N1343 | N1343-Y1345 HydrophobicContact CB-CD2 4.2Å; N1343-Y1345 HydrophobicContact CB-CE2 3.82Å; N1343-Y1345 PolarHBondContact O-N 3.14Å | ||
| 1346 | L | 26.3 | Very low | 25.1 | Very low | 97 Ų | 97 | 139.8 Ų | 139.8 | 51% | 0.508 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -85 | 131.4 | 166.1 | -73.3 | 168.4 | 0 | 0 | 0 | 109.9 | W1173 V1344 I1348 | W1173-L1346 HydrophobicContact CZ2-CD1 3.64Å; V1344-L1346 HydrophobicContact CG1-CG 4.39Å; V1344-L1346 PolarHBondContact O-N 3.46Å; L1346-I1348 PolarHBondContact O-N 3.24Å |
| 1347 | S | 27.1 | Very low | 25 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 121 | 173 | -159.7 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1348 | I | 23.8 | Very low | 25.2 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 156.3 | 156.3 | -62.9 | 175.9 | 0 | 0 | 0 | 106.7 | L1346 | L1346-I1348 PolarHBondContact O-N 3.24Š|
| 1349 | D | 25.9 | Very low | 25.1 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 75% | 0.754 | 70% | 0.697 | S | S | * | * | trans | 68.4 | 141.5 | -172.5 | -69.9 | -40.6 | 0 | 0 | 0 | 115.6 | ||||
| 1350 | S | 26.2 | Very low | 25.3 | Very low | 97 Ų | 97 | 130 Ų | 130 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | cis | -150.7 | 143.6 | 2.4 | 60.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1351 | K | 26.5 | Very low | 25.5 | Very low | 192 Ų | 192 | 131.7 Ų | 131.7 | 84% | 0.835 | 69% | 0.694 | S | S | * | * | trans | 43.8 | 123.3 | 138.8 | -63.7 | 176.8 | -178.9 | 173 | 0 | 120.9 | ||||
| 1352 | I | 21.5 | Very low | 25.5 | Very low | 133 Ų | 133 | 132.4 Ų | 132.4 | 68% | 0.682 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 133.5 | 158.3 | -59.9 | 157.4 | 0 | 0 | 0 | 111.1 | ||
| 1353 | P | 26.5 | Very low | 25.6 | Very low | 115 Ų | 115 | 133.3 Ų | 133.3 | 75% | 0.747 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 134.9 | 151.1 | 34.1 | -27.1 | 0 | 0 | 0 | 110.7 | ||
| 1354 | V | 25.5 | Very low | 25.6 | Very low | 137 Ų | 137 | 135.6 Ų | 135.6 | 83% | 0.83 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -73 | 143.4 | 177.2 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 1355 | N | 22.5 | Very low | 25.5 | Very low | 141 Ų | 141 | 139.4 Ų | 139.4 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 130 | 178.2 | 177 | 20.4 | 0 | 0 | 0 | 112.7 | ||
| 1356 | C | 23.3 | Very low | 25.5 | Very low | 106 Ų | 106 | 136.1 Ų | 136.1 | 72% | 0.716 | 74% | 0.743 | S | S | * | * | trans | -166.3 | 123.6 | 137.6 | -117.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1357 | N | 23.5 | Very low | 25.3 | Very low | 125 Ų | 125 | 137.5 Ų | 137.5 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | 36.3 | 116.5 | 146.8 | -57.2 | -37.8 | 0 | 0 | 0 | 120 | ||||
| 1358 | D | 27.4 | Very low | 25.3 | Very low | 166 Ų | 166 | 143.5 Ų | 143.5 | 89% | 0.888 | 76% | 0.761 | S | S | * | * | -140.8 | 157.8 | 109.7 | -142.4 | -26.6 | 0 | 0 | 0 | 111.6 | |||||
| 1359 | R | 24.4 | Very low | 25.4 | Very low | 229 Ų | 229 | 144.7 Ų | 144.7 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -138.3 | 107.3 | -175.8 | -74.9 | -172.6 | -179.5 | -176.2 | 1.8 | 112.6 | ||||
| 1360 | G | 27.6 | Very low | 25.3 | Very low | 72 Ų | 72 | 146.1 Ų | 146.1 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -172 | 79.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1361 | K | 27.8 | Very low | 25.4 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 79% | 0.787 | 78% | 0.782 | S | S | * | * | 54.9 | 96.1 | 93.4 | -78.1 | -168.4 | 170.8 | -175.9 | 0 | 113.7 | |||||
| 1362 | D | 25.9 | Very low | 25.4 | Very low | 171 Ų | 171 | 148.5 Ų | 148.5 | 91% | 0.914 | 78% | 0.776 | S | S | * | * | trans | -102.5 | 150.5 | 131.2 | -94.1 | -45.1 | 0 | 0 | 0 | 110 | ||||
| 1363 | N | 26.6 | Very low | 25.5 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | trans | -120.6 | 158.8 | -176.8 | -100.2 | -1.4 | 0 | 0 | 0 | 105.6 | ||||
| 1364 | I | 26.4 | Very low | 25.3 | Very low | 133 Ų | 133 | 150.1 Ų | 150.1 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -164.8 | -177.5 | 13.3 | -130 | 166.2 | 0 | 0 | 0 | 110.3 | ||||
| 1365 | D | 25.8 | Very low | 25.3 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | 79.9 | 81.4 | 160.1 | -77.1 | -12.5 | 0 | 0 | 0 | 124.3 | ||||
| 1366 | V | 24.1 | Very low | 25.5 | Very low | 112 Ų | 112 | 147.7 Ų | 147.7 | 68% | 0.679 | 78% | 0.775 | S | S | * | * | 62.9 | 97 | 95.5 | 178.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 1367 | T | 23.8 | Very low | 25.6 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 62.7 | 119.5 | 140.7 | 65.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 1368 | R | 26.9 | Very low | 25.5 | Very low | 237 Ų | 237 | 150.4 Ų | 150.4 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | -173.3 | 104.5 | 113.7 | -105.4 | 179.2 | -178.8 | -173.8 | 2.2 | 112.6 | |||||
| 1369 | L | 26 | Very low | 25.3 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | 163.5 | 100.5 | 129.9 | -92.9 | 164.1 | 0 | 0 | 0 | 111.4 | |||||
| 1370 | N | 23.4 | Very low | 25.3 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | trans | -161.6 | 120.2 | 151.6 | -125.3 | -19 | 0 | 0 | 0 | 108.4 | ||||
| 1371 | K | 27.2 | Very low | 25.1 | Very low | 183 Ų | 183 | 146.6 Ų | 146.6 | 80% | 0.796 | 78% | 0.781 | S | S | * | * | trans | -161.9 | 148.6 | 170.8 | -141.9 | 178.2 | -173.7 | -177.1 | 0 | 111.8 | ||||
| 1372 | H | 27.1 | Very low | 25 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | 71.8 | 124.9 | -173.5 | -59.8 | -84.9 | 0 | 0 | 0 | 113.6 | ||||
| 1373 | L | 22.9 | Very low | 24.7 | Very low | 131 Ų | 131 | 145.4 Ų | 145.4 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | S | Bend | cis | -148.9 | 109.3 | 5.7 | -168 | 78.5 | 0 | 0 | 0 | 114.4 | V1375 | L1373-V1375 HydrophobicContact CD1-CG2 3.87Å; L1373-V1375 HydrophobicContact CG-CG2 4.38Å |
| 1374 | V | 22.7 | Very low | 24.6 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 92% | 0.915 | 79% | 0.789 | S | S | * | * | trans | -138.3 | 149.4 | 141.2 | -177.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1375 | V | 25.4 | Very low | 24.5 | Very low | 105 Ų | 105 | 151.5 Ų | 151.5 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | trans | -123.9 | 127.3 | -164.5 | 171.4 | 0 | 0 | 0 | 0 | 111.4 | L1373 | L1373-V1375 HydrophobicContact CD1-CG2 3.87Å; L1373-V1375 HydrophobicContact CG-CG2 4.38Å | ||
| 1376 | V | 26.5 | Very low | 24.6 | Very low | 123 Ų | 123 | 152.2 Ų | 152.2 | 75% | 0.745 | 80% | 0.803 | S | S | * | * | trans | 56.7 | 99.4 | 161.7 | 176.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1377 | S | 25.2 | Very low | 24.6 | Very low | 111 Ų | 111 | 156 Ų | 156 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | 84.7 | 121.5 | 62.9 | -65.2 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1378 | N | 21.8 | Very low | 24.7 | Very low | 177 Ų | 177 | 155.5 Ų | 155.5 | 95% | 0.947 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 156 | 172.7 | -82.5 | -14 | 0 | 0 | 0 | 112 | ||||
| 1379 | G | 23.4 | Very low | 24.7 | Very low | 66 Ų | 66 | 152.2 Ų | 152.2 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | 126 | 107.8 | 147.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1380 | F | 24.5 | Very low | 24.8 | Very low | 211 Ų | 211 | 150.8 Ų | 150.8 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | trans | -151.4 | 172.7 | 138.9 | -107.2 | -69.1 | 0 | 0 | 0 | 109.5 | ||||
| 1381 | T | 23 | Very low | 24.9 | Very low | 110 Ų | 110 | 149.5 Ų | 149.5 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -113 | 169.9 | -155.6 | 55.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1382 | T | 25.6 | Very low | 24.8 | Very low | 133 Ų | 133 | 147.9 Ų | 147.9 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | trans | 70.8 | 145.3 | 150.7 | 37.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1383 | E | 21.2 | Very low | 24.8 | Very low | 193 Ų | 193 | 144.1 Ų | 144.1 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -58.1 | 144 | -171.6 | -50.4 | 171.5 | 121.9 | 0 | 0 | 114.8 | ||||
| 1384 | E | 24.7 | Very low | 25 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | trans | -148.7 | 141.4 | 136.6 | -143.3 | 173.5 | -141.8 | 0 | 0 | 111.7 | ||||
| 1385 | K | 22.8 | Very low | 25.1 | Very low | 209 Ų | 209 | 142 Ų | 142 | 91% | 0.909 | 78% | 0.779 | S | S | * | * | trans | -123.1 | 116 | 172.5 | -93.1 | -178.6 | 176.5 | 170.2 | 0 | 108.6 | ||||
| 1386 | I | 29.2 | Very low | 25 | Very low | 146 Ų | 146 | 147.3 Ų | 147.3 | 75% | 0.749 | 79% | 0.789 | S | S | * | * | trans | -117.4 | 132.1 | 166.8 | -63.1 | -175.8 | 0 | 0 | 0 | 109.5 | ||||
| 1387 | K | 24.2 | Very low | 24.8 | Very low | 191 Ų | 191 | 145.9 Ų | 145.9 | 83% | 0.83 | 78% | 0.784 | S | S | * | * | trans | -85.9 | 152.5 | -177.8 | -64.4 | 175.3 | 174.8 | 179.2 | 0 | 111.6 | ||||
| 1388 | C | 25.6 | Very low | 24.7 | Very low | 115 Ų | 115 | 145.9 Ų | 145.9 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | 157.6 | 144.4 | 129.3 | -84.7 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1389 | K | 27 | Very low | 24.7 | Very low | 169 Ų | 169 | 143.3 Ų | 143.3 | 74% | 0.735 | 76% | 0.762 | S | S | * | * | cis | -167.6 | 120.7 | -10.6 | -131.1 | -178.1 | 178.6 | -172.9 | 0 | 109.8 | ||||
| 1390 | T | 27.3 | Very low | 24.7 | Very low | 142 Ų | 142 | 145.6 Ų | 145.6 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | trans | -175 | 133.9 | 138.3 | 18.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1391 | E | 25.2 | Very low | 24.6 | Very low | 144 Ų | 144 | 140.1 Ų | 140.1 | 67% | 0.673 | 75% | 0.751 | S | S | * | * | trans | -83 | 164.5 | 169.1 | -61.2 | 92.4 | 171.2 | 0 | 0 | 110.9 | ||||
| 1392 | N | 26.2 | Very low | 24.7 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | cis | -145.8 | 154.9 | 43.5 | -66.5 | -61.4 | 0 | 0 | 0 | 110.9 | ||||
| 1393 | A | 25.5 | Very low | 24.7 | Very low | 77 Ų | 77 | 141.7 Ų | 141.7 | 64% | 0.636 | 75% | 0.747 | S | S | * | * | cis | 72.4 | 134.8 | 41.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1394 | T | 27.7 | Very low | 25 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | cis | -165.4 | 144.3 | 2.5 | 11.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1395 | T | 25.1 | Very low | 25.1 | Very low | 115 Ų | 115 | 136 Ų | 136 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | 56.9 | 107.3 | 128.5 | -53.7 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 1396 | Y | 22.9 | Very low | 25.4 | Very low | 216 Ų | 216 | 131.3 Ų | 131.3 | 85% | 0.847 | 71% | 0.713 | S | S | * | * | trans | 61 | 121.8 | 134.5 | -80.9 | -107.2 | 0 | 0 | 0 | 124.6 | ||||
| 1397 | S | 21.9 | Very low | 25.2 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | 98.4 | 141.4 | 123.9 | 82.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1398 | N | 22.9 | Very low | 25.2 | Very low | 110 Ų | 110 | 127.1 Ų | 127.1 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | trans | 60.9 | 122.4 | 154.8 | -63.7 | -48.3 | 0 | 0 | 0 | 120.9 | K1562 | N1398-K1562 PolarHBondContact OD1-NZ 3.06Š| ||
| 1399 | N | 22.9 | Very low | 25.1 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 66% | 0.658 | 69% | 0.693 | S | S | * | * | trans | 78.3 | 118.8 | 133.9 | -70.9 | 20.6 | 0 | 0 | 0 | 121 | ||||
| 1400 | T | 23.8 | Very low | 25 | Very low | 115 Ų | 115 | 124.5 Ų | 124.5 | 71% | 0.706 | 69% | 0.687 | S | S | * | * | trans | 64.4 | 104.7 | 132.3 | 60.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1401 | S | 21.9 | Very low | 24.8 | Very low | 96 Ų | 96 | 122.1 Ų | 122.1 | 67% | 0.671 | 68% | 0.677 | S | S | * | * | 86.8 | 149.4 | 112.6 | 74.6 | 0 | 0 | 0 | 0 | 120 | |||||
| 1402 | I | 25.5 | Very low | 24.8 | Very low | 139 Ų | 139 | 123.3 Ų | 123.3 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | 72.1 | 104.7 | 156.7 | -71.8 | 157.2 | 0 | 0 | 0 | 112.3 | ||||
| 1403 | I | 24.3 | Very low | 24.7 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 70% | 0.697 | 68% | 0.675 | S | S | * | * | 60.5 | 110.2 | 77.9 | -61.4 | 164.4 | 0 | 0 | 0 | 107.5 | |||||
| 1404 | D | 28.4 | Very low | 24.8 | Very low | 125 Ų | 125 | 124 Ų | 124 | 67% | 0.668 | 68% | 0.679 | S | S | * | * | -143.5 | 156.7 | 53.7 | -109.8 | -39.7 | 0 | 0 | 0 | 111.7 | |||||
| 1405 | N | 27.2 | Very low | 24.9 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 66% | 0.658 | 68% | 0.677 | S | S | * | * | 44.5 | 138.6 | 93.6 | -74.7 | -45.1 | 0 | 0 | 0 | 115.1 | |||||
| 1406 | N | 28.3 | Very low | 25 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 59% | 0.588 | 67% | 0.67 | S | S | * | * | cis | -161.7 | 170.2 | 12.5 | -131 | -33.2 | 0 | 0 | 0 | 114 | ||||
| 1407 | N | 24.7 | Very low | 25.3 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 55% | 0.545 | 66% | 0.663 | S | S | . | * | trans | 18.6 | 145.9 | 134.4 | -68.7 | -23.8 | 0 | 0 | 0 | 120.3 | ||||
| 1408 | K | 25.7 | Very low | 25.4 | Very low | 147 Ų | 147 | 122.7 Ų | 122.7 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | cis | -177 | 164.2 | -2 | -117.7 | 167.4 | -172.8 | 132.6 | 0 | 108.7 | ||||
| 1409 | N | 23.6 | Very low | 25.6 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 75% | 0.749 | 67% | 0.673 | S | S | * | * | trans | 63.3 | 151.2 | 144.5 | -67.5 | 5.3 | 0 | 0 | 0 | 119.4 | ||||
| 1410 | S | 23.1 | Very low | 25.7 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | cis | -168.2 | 172.7 | -20.8 | 51.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1411 | S | 23.2 | Very low | 25.6 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | 49.2 | 124.5 | 137.6 | 67.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1412 | E | 25.4 | Very low | 25.6 | Very low | 169 Ų | 169 | 125.4 Ų | 125.4 | 79% | 0.79 | 68% | 0.682 | S | S | * | * | -178.6 | 164.6 | 70.1 | -89.5 | -152.5 | 146.3 | 0 | 0 | 109.9 | |||||
| 1413 | L | 24.4 | Very low | 25.6 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 65% | 0.654 | 69% | 0.686 | S | S | * | * | cis | -171.8 | -167.8 | -20.9 | -167.8 | 124.7 | 0 | 0 | 0 | 106.1 | ||||
| 1414 | V | 29 | Very low | 25.5 | Very low | 116 Ų | 116 | 125 Ų | 125 | 70% | 0.703 | 69% | 0.691 | S | S | * | * | trans | 76.7 | 118.2 | 164.6 | -173.8 | 0 | 0 | 0 | 0 | 115 | ||||
| 1415 | K | 29.3 | Very low | 25.2 | Very low | 168 Ų | 168 | 126.5 Ų | 126.5 | 73% | 0.73 | 70% | 0.698 | S | S | * | * | cis | -164.4 | 179.5 | -7.1 | -117.4 | 175 | -165.8 | 171.3 | 0 | 106.4 | ||||
| 1416 | N | 27.6 | Very low | 25.1 | Very low | 102 Ų | 102 | 132.2 Ų | 132.2 | 55% | 0.545 | 71% | 0.711 | S | S | . | * | cis | -158.4 | -174.4 | 14 | -141 | -5 | 0 | 0 | 0 | 113.4 | ||||
| 1417 | H | 27.4 | Very low | 25 | Very low | 155 Ų | 155 | 132.4 Ų | 132.4 | 72% | 0.718 | 72% | 0.718 | S | S | * | * | trans | 6.5 | 144.6 | 153 | -56.8 | -29.2 | 0 | 0 | 0 | 122.1 | ||||
| 1418 | S | 24.2 | Very low | 25 | Very low | 95 Ų | 95 | 133.3 Ų | 133.3 | 66% | 0.664 | 73% | 0.731 | S | S | * | * | cis | -179.6 | 161.6 | -5.3 | 47.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1419 | L | 27 | Very low | 25.6 | Very low | 150 Ų | 150 | 131 Ų | 131 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | trans | 100.9 | 116.3 | 155.2 | -53.4 | -174.4 | 0 | 0 | 0 | 120.9 | ||||
| 1420 | L | 26.4 | Very low | 26.8 | Very low | 146 Ų | 146 | 131.2 Ų | 131.2 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 56.9 | 96.1 | 142.2 | -77.7 | 81.9 | 0 | 0 | 0 | 122.9 | ||||
| 1421 | S | 21.6 | Very low | 28.8 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 71% | 0.713 | S | S | * | * | 26.4 | 131.1 | 112.6 | 62.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 1422 | S | 22.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 128.7 Ų | 128.7 | 76% | 0.755 | 70% | 0.696 | S | S | * | * | 170 | 167.2 | 88.7 | 54.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 1423 | S | 23.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | 82.2 | 154.8 | 165.1 | 78 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1424 | L | 22.5 | Very low | 36.8 | Very low | 152 Ų | 152 | 119.4 Ų | 119.4 | 80% | 0.796 | 65% | 0.654 | S | S | * | * | trans | -104.3 | -178.9 | -164.2 | -83.9 | 64.4 | 0 | 0 | 0 | 112.3 | ||||
| 1425 | N | 23 | Very low | 39.7 | Very low | 155 Ų | 155 | 114.8 Ų | 114.8 | 83% | 0.829 | 63% | 0.628 | S | S | * | * | trans | 89 | 111.5 | 167.1 | -56.4 | -22.4 | 0 | 0 | 0 | 116.6 | ||||
| 1426 | R | 24.4 | Very low | 42.5 | Very low | 244 Ų | 244 | 106.8 Ų | 106.8 | 92% | 0.921 | 59% | 0.593 | S | S | * | * | trans | -136.8 | 83.9 | 163.1 | -160.1 | 178.7 | -162.1 | -166.7 | 4.8 | 109.4 | ||||
| 1427 | P | 26.1 | Very low | 45.5 | Very low | 113 Ų | 113 | 103.3 Ų | 103.3 | 73% | 0.734 | 58% | 0.575 | S | S | * | * | trans | -69.9 | 159.9 | -179.8 | 30.2 | -35.2 | 0 | 0 | 0 | 111.7 | S1429 | P1427-S1429 PolarHBondContact O-N 3.03Š| ||
| 1428 | C | 25.7 | Very low | 48.5 | Very low | 122 Ų | 122 | 95.9 Ų | 95.9 | 82% | 0.824 | 54% | 0.541 | S | S | * | . | trans | -59.7 | 125.7 | 175.6 | -60.5 | 0 | 0 | 0 | 0 | 111 | R1430 | C1428-R1430 PolarHBondContact O-N 3.46Š| ||
| 1429 | S | 37.6 | Very low | 51.5 | Low | 99 Ų | 99 | 92.8 Ų | 92.8 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | trans | -76 | 93.4 | -174.1 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | P1427 H1431 | P1427-S1429 PolarHBondContact O-N 3.03Å; S1429-H1431 PolarHBondContact O-N 2.88Å | ||
| 1430 | R | 49 | Very low | 54.3 | Low | 143 Ų | 143 | 87.1 Ų | 87.1 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | trans | -71.9 | 29.5 | 171.1 | -66.6 | 178.6 | 169.1 | 167.1 | -7.5 | 113.5 | C1428 A1542 | C1428-R1430 PolarHBondContact O-N 3.46Å; R1430-A1542 PolarHBondContact O-N 2.89Å | ||
| 1431 | H | 64.5 | Low | 56.9 | Low | 84 Ų | 84 | 84.3 Ų | 84.3 | 39% | 0.389 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 120.3 | -159.3 | -52.9 | 126 | 0 | 0 | 0 | 110.9 | S1429 V1539 Y1541 | S1429-H1431 PolarHBondContact O-N 2.88Å; H1431-V1539 HydrophobicContact CB-CG1 3.85Å; H1431-Y1541 AromaticContact CD2-CD1 3.36Å; H1431-Y1541 WeakPolarHBondContact CD2-CD1 3.48Å; H1431-Y1541 AromaticContact CD2-CE1 3.44Å; H1431-Y1541 VanDerWaalsContact CD2-CE1 3.44Å; H1431-Y1541 WeakPolarHBondContact CD2-CE1 3.47Å; H1431-Y1541 AromaticContact NE2-CD1 3.45Å; H1431-Y1541 WeakPolarHBondContact NE2-CD1 3.22Å; H1431-Y1541 AromaticContact NE2-CE1 3.29Å; H1431-Y1541 VanDerWaalsContact NE2-CE1 3.29Å; H1431-Y1541 WeakPolarHBondContact NE2-CE1 3.38Å |
| 1432 | C | 75.7 | Confident | 59.7 | Low | 43 Ų | 43 | 82.7 Ų | 82.7 | 29% | 0.291 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 114.9 | 171.4 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | V1539 R1540 | C1432-V1539 WeakPolarHBondContact O-CA 3.5Å; C1432-R1540 PolarHBondContact N-O 3.13Å; C1432-R1540 PolarHBondContact O-N 3.37Å |
| 1433 | T | 80 | Confident | 62.2 | Low | 84 Ų | 84 | 83.2 Ų | 83.2 | 52% | 0.515 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 130 | 177.4 | -58.5 | 0 | 0 | 0 | 0 | 110.6 | I1508 T1537 V1538 | T1433-I1508 HydrophobicContact CG2-CD1 3.67Å; T1433-T1537 HydrophobicContact CG2-CG2 3.8Å; T1433-V1538 VanDerWaalsContact CA-O 3.28Å; T1433-V1538 WeakPolarHBondContact CA-O 3.29Å |
| 1434 | Y | 86.5 | Confident | 64.9 | Low | 15 Ų | 15 | 80.8 Ų | 80.8 | 6% | 0.059 | 46% | 0.458 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 164.6 | 179.4 | 59.7 | -80.9 | 0 | 0 | 0 | 111.1 | V1436 L1478 L1495 Y1500 D1505 T1537 V1538 R1540 | Y1434-V1436 HydrophobicContact CD2-CG1 3.94Å; Y1434-V1436 HydrophobicContact CE2-CG1 3.93Å; Y1434-L1478 HydrophobicContact CD2-CD1 3.71Å; Y1434-L1478 HydrophobicContact CG-CD1 4.25Å; Y1434-L1495 HydrophobicContact CD1-CD2 3.99Å; Y1434-L1495 HydrophobicContact CD2-CD2 4.05Å; Y1434-L1495 HydrophobicContact CE1-CD2 4.45Å; Y1434-L1495 HydrophobicContact CE2-CD2 4.48Å; Y1434-L1495 HydrophobicContact CG-CD2 3.8Å; Y1434-Y1500 PolarHBondContact OH-O 2.68Å; Y1434-D1505 VanDerWaalsContact OH-CG 3.24Å; Y1434-D1505 PolarHBondContact OH-OD1 3.39Å; Y1434-D1505 PolarHBondContact OH-OD2 2.74Å; Y1434-T1537 WeakPolarHBondContact O-CA 3.41Å; Y1434-V1538 HydrophobicContact CE1-CB 4.2Å; Y1434-V1538 HydrophobicContact CE1-CG1 4.23Å; Y1434-V1538 HydrophobicContact CE2-CB 4.04Å; Y1434-V1538 HydrophobicContact CE2-CG1 4.41Å; Y1434-V1538 HydrophobicContact CE2-CG2 4.36Å; Y1434-V1538 PolarHBondContact N-O 3.22Å; Y1434-V1538 PolarHBondContact O-N 3.21Å; Y1434-V1538 WeakPolarHBondContact OH-CG1 3.42Å; Y1434-R1540 HydrophobicContact CE1-CB 3.82Å; Y1434-R1540 PolarHBondContact OH-NH2 3.48Å |
| 1435 | S | 88.3 | Confident | 67.9 | Low | 20 Ų | 20 | 73.9 Ų | 73.9 | 14% | 0.14 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 139.3 | 179 | -66.6 | 0 | 0 | 0 | 0 | 111.4 | I1479 L1536 T1537 | S1435-I1479 PolarHBondContact O-N 2.91Å; S1435-L1536 CarbonylContact C-O 3.57Å; S1435-L1536 VanDerWaalsContact CA-O 3.3Å; S1435-L1536 WeakPolarHBondContact CA-O 3.37Å; S1435-T1537 PolarHBondContact OG-OG1 3.45Å |
| 1436 | V | 89.6 | Confident | 70.9 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 139.9 | 178.5 | -66.2 | 0 | 0 | 0 | 0 | 111.4 | Y1434 V1438 K1477 L1478 L1501 V1535 L1536 V1538 | Y1434-V1436 HydrophobicContact CD2-CG1 3.94Å; Y1434-V1436 HydrophobicContact CE2-CG1 3.93Å; V1436-V1438 HydrophobicContact CG2-CG2 4.11Å; V1436-K1477 CarbonylContact C-O 3.57Å; V1436-K1477 WeakPolarHBondContact CA-O 3.32Å; V1436-K1477 WeakPolarHBondContact CB-O 3.5Å; V1436-L1478 HydrophobicContact CG1-CD1 4.16Å; V1436-L1501 HydrophobicContact CG2-CD1 3.93Å; V1436-L1501 HydrophobicContact CG2-CG 4.06Å; V1436-V1535 CarbonylContact O-C 3.52Å; V1436-V1535 WeakPolarHBondContact O-CA 3.41Å; V1436-L1536 HydrophobicContact CG2-CB 4.03Å; V1436-L1536 PolarHBondContact N-O 3.15Å; V1436-L1536 PolarHBondContact O-N 2.85Å; V1436-V1538 HydrophobicContact CG2-CG2 4.33Å |
| 1437 | V | 90.6 | Very high | 73.9 | Confident | 28 Ų | 28 | 56.6 Ų | 56.6 | 17% | 0.17 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 131.3 | 163.1 | -170.8 | 0 | 0 | 0 | 0 | 108.2 | A1476 K1477 I1479 E1533 | V1437-A1476 CarbonylContact O-C 3.57Å; V1437-A1476 VanDerWaalsContact O-CA 3.24Å; V1437-A1476 WeakPolarHBondContact O-CA 3.12Å; V1437-K1477 PolarHBondContact N-O 3.27Å; V1437-K1477 PolarHBondContact O-N 3.24Å; V1437-I1479 HydrophobicContact CG2-CD1 3.75Å; V1437-I1479 HydrophobicContact CG2-CG1 3.58Å; V1437-E1533 HydrophobicContact CG1-CB 3.89Å; V1437-E1533 HydrophobicContact CG1-CG 4.13Å |
| 1438 | V | 90.5 | Very high | 76.9 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 114.6 | 173.1 | -169 | 0 | 0 | 0 | 0 | 108.5 | V1436 L1445 G1472 A1473 A1476 L1501 V1534 L1536 | V1436-V1438 HydrophobicContact CG2-CG2 4.11Å; V1438-L1445 HydrophobicContact CB-CD1 4.39Å; V1438-L1445 HydrophobicContact CB-CD2 4.31Å; V1438-L1445 HydrophobicContact CG1-CB 4.21Å; V1438-L1445 HydrophobicContact CG1-CD1 4.21Å; V1438-L1445 HydrophobicContact CG1-CD2 3.93Å; V1438-L1445 HydrophobicContact CG1-CG 4.34Å; V1438-G1472 VanDerWaalsContact CG1-C 3.46Å; V1438-G1472 WeakPolarHBondContact CG1-O 3.45Å; V1438-A1473 HydrophobicContact CG1-CB 4.34Å; V1438-A1476 HydrophobicContact CG2-CB 4.05Å; V1438-L1501 HydrophobicContact CG2-CD1 3.78Å; V1438-V1534 PolarHBondContact N-O 3.3Å; V1438-V1534 PolarHBondContact O-N 3.22Å; V1438-L1536 HydrophobicContact CG2-CD1 3.81Å; V1438-L1536 HydrophobicContact CG2-CG 4.1Å |
| 1439 | P | 87.2 | Confident | 80 | Confident | 29 Ų | 29 | 48.7 Ų | 48.7 | 19% | 0.188 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 146.1 | 173.1 | 28.1 | -33.3 | 0 | 0 | 0 | 110.2 | G1472 Q1475 | P1439-G1472 WeakPolarHBondContact O-CA 3.29Å; P1439-Q1475 HydrophobicContact CG-CB 4.11Å |
| 1440 | K | 84.7 | Confident | 82.5 | Confident | 32 Ų | 32 | 45.7 Ų | 45.7 | 14% | 0.139 | 27% | 0.273 | C | S | . | . | trans | -101.2 | 114.1 | -176.2 | -166.4 | 168.5 | 176.5 | 166.7 | 0 | 109.1 | L1445 V1527 A1528 T1530 T1531 D1532 V1534 | K1440-L1445 HydrophobicContact CB-CD2 3.96Å; K1440-L1445 HydrophobicContact CG-CD2 4.02Å; K1440-V1527 PolarHBondContact NZ-O 3.22Å; K1440-A1528 PolarHBondContact NZ-O 3.33Å; K1440-T1530 PolarHBondContact NZ-O 3.21Å; K1440-T1531 WeakPolarHBondContact CD-O 3.36Å; K1440-D1532 WeakPolarHBondContact CB-O 3.38Å; K1440-D1532 PolarHBondContact N-O 3.18Å; K1440-V1534 HydrophobicContact CD-CG2 4.25Å | ||
| 1441 | I | 80.8 | Confident | 84.4 | Confident | 86 Ų | 86 | 41.7 Ų | 41.7 | 44% | 0.441 | 27% | 0.271 | S | S | . | . | B | Isolated β-bridge | trans | -99.5 | 98.6 | -175 | -57.2 | -171.9 | 0 | 0 | 0 | 108.3 | S1444 | I1441-S1444 PolarHBondContact N-O 3.29Å |
| 1442 | G | 80 | Confident | 85.4 | Confident | 65 Ų | 65 | 39.3 Ų | 39.3 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.4 | -136.6 | -167.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | S1444 | G1442-S1444 VanDerWaalsContact C-N 3.27Å; G1442-S1444 PolarHBondContact O-N 3.01Å |
| 1443 | S | 75.2 | Confident | 85.5 | Confident | 119 Ų | 119 | 42.2 Ų | 42.2 | 83% | 0.832 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83 | 9.3 | 179.9 | 56 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1444 | S | 80.3 | Confident | 85.3 | Confident | 63 Ų | 63 | 38.8 Ų | 38.8 | 44% | 0.441 | 26% | 0.256 | S | S | . | . | B | Isolated β-bridge | trans | -140.9 | 146.4 | -172.9 | -162.5 | 0 | 0 | 0 | 0 | 114.1 | I1441 G1442 G1446 | I1441-S1444 PolarHBondContact N-O 3.29Å; G1442-S1444 VanDerWaalsContact C-N 3.27Å; G1442-S1444 PolarHBondContact O-N 3.01Å; S1444-G1446 VanDerWaalsContact C-N 3.31Å; S1444-G1446 PolarHBondContact OG-N 3.48Å; S1444-G1446 VanDerWaalsContact OG-N 3.08Å |
| 1445 | L | 85.4 | Confident | 84.1 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | trans | -75.6 | -21.6 | 163.2 | -56.9 | -173.6 | 0 | 0 | 0 | 112 | V1438 K1440 L1447 S1471 G1472 A1473 V1527 V1534 L1536 | V1438-L1445 HydrophobicContact CB-CD1 4.39Å; V1438-L1445 HydrophobicContact CB-CD2 4.31Å; V1438-L1445 HydrophobicContact CG1-CB 4.21Å; V1438-L1445 HydrophobicContact CG1-CD1 4.21Å; V1438-L1445 HydrophobicContact CG1-CD2 3.93Å; V1438-L1445 HydrophobicContact CG1-CG 4.34Å; K1440-L1445 HydrophobicContact CB-CD2 3.96Å; K1440-L1445 HydrophobicContact CG-CD2 4.02Å; L1445-L1447 HydrophobicContact CB-CB 4.17Å; L1445-L1447 PolarHBondContact O-N 3.04Å; L1445-S1471 PolarHBondContact O-OG 3.17Å; L1445-G1472 PolarHBondContact O-N 2.91Å; L1445-A1473 VanDerWaalsContact O-CB 3.31Å; L1445-A1473 WeakPolarHBondContact O-CB 3.31Å; L1445-A1473 PolarHBondContact O-N 2.93Å; L1445-V1527 HydrophobicContact CD1-CG1 3.62Å; L1445-V1527 HydrophobicContact CG-CG1 3.9Å; L1445-V1534 HydrophobicContact CD1-CB 4.34Å; L1445-V1534 HydrophobicContact CD1-CG1 4.4Å; L1445-V1534 HydrophobicContact CD2-CB 4.17Å; L1445-V1534 HydrophobicContact CD2-CG2 3.83Å; L1445-L1536 HydrophobicContact CD1-CD1 4.42Å | ||
| 1446 | G | 86.1 | Confident | 83 | Confident | 5 Ų | 5 | 48.2 Ų | 48.2 | 5% | 0.052 | 30% | 0.296 | C | S | . | . | trans | 69.8 | 15.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | S1444 N1468 | S1444-G1446 VanDerWaalsContact C-N 3.31Å; S1444-G1446 PolarHBondContact OG-N 3.48Å; S1444-G1446 VanDerWaalsContact OG-N 3.08Å; G1446-N1468 WeakPolarHBondContact O-CB 3.47Å; G1446-N1468 PolarHBondContact O-N 3.35Å | ||
| 1447 | L | 88.3 | Confident | 81.9 | Confident | 30 Ų | 30 | 50.9 Ų | 50.9 | 16% | 0.157 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 131.6 | 169.9 | -167.2 | 66 | 0 | 0 | 0 | 109.9 | L1445 I1449 V1464 I1467 A1473 L1507 L1536 | L1445-L1447 HydrophobicContact CB-CB 4.17Å; L1445-L1447 PolarHBondContact O-N 3.04Å; L1447-I1449 HydrophobicContact CD2-CG2 3.91Å; L1447-I1449 HydrophobicContact CG-CG2 4.01Å; L1447-V1464 HydrophobicContact CD1-CB 4.48Å; L1447-V1464 HydrophobicContact CD1-CG1 3.65Å; L1447-V1464 HydrophobicContact CD1-CG2 4.03Å; L1447-V1464 HydrophobicContact CD2-CG2 4.44Å; L1447-I1467 HydrophobicContact CD1-CG1 3.9Å; L1447-A1473 HydrophobicContact CB-CB 3.95Å; L1447-A1473 HydrophobicContact CD1-CB 4.06Å; L1447-L1507 HydrophobicContact CD2-CD1 4.1Å; L1447-L1536 HydrophobicContact CD2-CD1 3.84Å |
| 1448 | S | 89 | Confident | 80.7 | Confident | 52 Ų | 52 | 56.7 Ų | 56.7 | 36% | 0.364 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 122.2 | 167.9 | -176 | 0 | 0 | 0 | 0 | 108.9 | R1465 G1466 | S1448-R1465 PolarHBondContact O-N 3.38Å; S1448-G1466 WeakPolarHBondContact CB-O 3.32Å; S1448-G1466 PolarHBondContact N-O 3.2Å; S1448-G1466 PolarHBondContact O-N 2.86Å |
| 1449 | I | 91.2 | Very high | 79.7 | Confident | 18 Ų | 18 | 59 Ų | 59 | 9% | 0.092 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 157.1 | 177.5 | 60 | 170.7 | 0 | 0 | 0 | 111 | L1447 I1462 Y1463 L1507 Q1520 L1524 | L1447-I1449 HydrophobicContact CD2-CG2 3.91Å; L1447-I1449 HydrophobicContact CG-CG2 4.01Å; I1449-I1462 HydrophobicContact CB-CG2 3.9Å; I1449-I1462 HydrophobicContact CD1-CG2 3.79Å; I1449-I1462 HydrophobicContact CG1-CG2 4.33Å; I1449-I1462 HydrophobicContact CG2-CG2 4.35Å; I1449-Y1463 CarbonylContact C-O 3.28Å; I1449-Y1463 VanDerWaalsContact CA-O 3.29Å; I1449-Y1463 WeakPolarHBondContact CA-O 3.38Å; I1449-L1507 HydrophobicContact CG2-CD1 3.76Å; I1449-Q1520 HydrophobicContact CD1-CG 4.5Å; I1449-Q1520 HydrophobicContact CG1-CG 4.48Å; I1449-L1524 HydrophobicContact CD1-CD2 4.01Å; I1449-L1524 HydrophobicContact CD1-CG 4.14Å; I1449-L1524 HydrophobicContact CG1-CD2 4.23Å |
| 1450 | V | 89.4 | Confident | 79.4 | Confident | 36 Ų | 36 | 64 Ų | 64 | 22% | 0.218 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 138.4 | 175.1 | 69.3 | 0 | 0 | 0 | 0 | 110.6 | A1452 I1462 Y1463 R1465 | V1450-A1452 HydrophobicContact CG1-CB 4.26Å; V1450-A1452 PolarHBondContact O-N 3.38Å; V1450-I1462 WeakPolarHBondContact O-CA 3.39Å; V1450-Y1463 PolarHBondContact N-O 2.95Å; V1450-Y1463 PolarHBondContact O-N 3.4Å; V1450-R1465 HydrophobicContact CB-CB 4.22Å; V1450-R1465 HydrophobicContact CG1-CB 3.93Å; V1450-R1465 HydrophobicContact CG1-CG 4.4Å |
| 1451 | A | 89 | Confident | 79.5 | Confident | 59 Ų | 59 | 63.2 Ų | 63.2 | 49% | 0.488 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | G1461 Q1520 | A1451-G1461 WeakPolarHBondContact CA-O 3.39Å; A1451-Q1520 HydrophobicContact CB-CB 4.32Å |
| 1452 | A | 86.1 | Confident | 79.9 | Confident | 34 Ų | 34 | 59.6 Ų | 59.6 | 28% | 0.281 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 176.4 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1450 L1460 G1461 Y1463 | V1450-A1452 HydrophobicContact CG1-CB 4.26Å; V1450-A1452 PolarHBondContact O-N 3.38Å; A1452-L1460 WeakPolarHBondContact O-CA 3.35Å; A1452-G1461 PolarHBondContact N-O 2.66Å; A1452-G1461 PolarHBondContact O-N 2.76Å; A1452-Y1463 HydrophobicContact CB-CD2 3.91Å; A1452-Y1463 HydrophobicContact CB-CE2 4.42Å; A1452-Y1463 WeakPolarHBondContact O-CE2 3.36Å |
| 1453 | I | 78.1 | Confident | 80.4 | Confident | 104 Ų | 104 | 57.3 Ų | 57.3 | 53% | 0.533 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 147 | 166.9 | -53 | 172.3 | 0 | 0 | 0 | 107.3 | D1459 L1460 | I1453-D1459 CarbonylContact C-O 3.6Å; I1453-D1459 WeakPolarHBondContact CA-O 3.32Å; I1453-L1460 HydrophobicContact CD1-CD2 4.48Å; I1453-L1460 HydrophobicContact CG1-CD2 3.58Å; I1453-L1460 HydrophobicContact CG1-CG 4.05Å |
| 1454 | S | 75 | Confident | 81.2 | Confident | 11 Ų | 11 | 51.8 Ų | 51.8 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | trans | -57.1 | 157.2 | 172.5 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | Y1456 G1457 E1458 D1459 Y1463 | S1454-Y1456 PolarHBondContact O-N 3.24Å; S1454-G1457 PolarHBondContact O-N 3.46Å; S1454-E1458 PolarHBondContact OG-N 3.04Å; S1454-D1459 PolarHBondContact N-O 3.28Å; S1454-D1459 PolarHBondContact OG-N 2.98Å; S1454-D1459 VanDerWaalsContact OG-N 3.13Å; S1454-Y1463 WeakPolarHBondContact CB-OH 3.21Å; S1454-Y1463 PolarHBondContact N-OH 2.84Å | ||
| 1455 | E | 61.4 | Low | 81.6 | Confident | 141 Ų | 141 | 56.8 Ų | 56.8 | 66% | 0.659 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -25.7 | 178.1 | 64.8 | -168.8 | 177.4 | 0 | 0 | 113.5 | G1457 | E1455-G1457 VanDerWaalsContact C-N 3.34Š|
| 1456 | Y | 66.1 | Low | 81.7 | Confident | 93 Ų | 93 | 57 Ų | 57 | 37% | 0.365 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.5 | 174.5 | -52 | -75.5 | 0 | 0 | 0 | 113.7 | S1454 E1458 | S1454-Y1456 PolarHBondContact O-N 3.24Å; Y1456-E1458 VanDerWaalsContact C-N 3.25Å; Y1456-E1458 PolarHBondContact O-N 3.17Å |
| 1457 | G | 65.2 | Low | 81.9 | Confident | 55 Ų | 55 | 58.6 Ų | 58.6 | 57% | 0.567 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 80.4 | -5.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1454 E1455 | S1454-G1457 PolarHBondContact O-N 3.46Å; E1455-G1457 VanDerWaalsContact C-N 3.34Å |
| 1458 | E | 65.8 | Low | 81.7 | Confident | 151 Ų | 151 | 61.3 Ų | 61.3 | 71% | 0.706 | 34% | 0.335 | S | S | * | . | trans | -80.4 | -25.1 | -169.2 | -59.6 | -178 | 145.4 | 0 | 0 | 114.3 | S1454 Y1456 | S1454-E1458 PolarHBondContact OG-N 3.04Å; Y1456-E1458 VanDerWaalsContact C-N 3.25Å; Y1456-E1458 PolarHBondContact O-N 3.17Å | ||
| 1459 | D | 70.6 | Confident | 81.4 | Confident | 47 Ų | 47 | 64.6 Ų | 64.6 | 25% | 0.251 | 36% | 0.355 | S | S | . | . | trans | -140.7 | 110.3 | -155.3 | -128 | -27.9 | 0 | 0 | 0 | 113.4 | I1453 S1454 Y1463 R1506 Y1541 | I1453-D1459 CarbonylContact C-O 3.6Å; I1453-D1459 WeakPolarHBondContact CA-O 3.32Å; S1454-D1459 PolarHBondContact N-O 3.28Å; S1454-D1459 PolarHBondContact OG-N 2.98Å; S1454-D1459 VanDerWaalsContact OG-N 3.13Å; D1459-Y1463 PolarHBondContact O-OH 2.98Å; D1459-R1506 VanDerWaalsContact CG-CZ 3.48Å; D1459-R1506 IonicContact OD1-CZ 3.97Å; D1459-R1506 VanDerWaalsContact OD1-CZ 3.22Å; D1459-R1506 IonicContact OD1-NH1 2.99Å; D1459-R1506 PolarHBondContact OD1-NH1 2.87Å; D1459-R1506 IonicContact OD1-NH2 2.65Å; D1459-R1506 PolarHBondContact OD1-NH2 2.77Å; D1459-R1506 IonicContact OD2-CZ 3.85Å; D1459-R1506 IonicContact OD2-NH1 3.97Å; D1459-R1506 PolarHBondContact OD2-NH1 3.35Å; D1459-R1506 IonicContact OD2-NH2 2.68Å; D1459-Y1541 PolarHBondContact OD2-OH 2.75Å | ||
| 1460 | L | 79.2 | Confident | 80.7 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 134.1 | 170.6 | -86.9 | 161.6 | 0 | 0 | 0 | 110.6 | A1452 I1453 R1506 | A1452-L1460 WeakPolarHBondContact O-CA 3.35Å; I1453-L1460 HydrophobicContact CD1-CD2 4.48Å; I1453-L1460 HydrophobicContact CG1-CD2 3.58Å; I1453-L1460 HydrophobicContact CG1-CG 4.05Å; L1460-R1506 PolarHBondContact O-NH2 3.07Å |
| 1461 | G | 86.6 | Confident | 80.6 | Confident | 17 Ų | 17 | 65.5 Ų | 65.5 | 18% | 0.175 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.1 | 178.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | A1451 A1452 Y1463 | A1451-G1461 WeakPolarHBondContact CA-O 3.39Å; A1452-G1461 PolarHBondContact N-O 2.66Å; A1452-G1461 PolarHBondContact O-N 2.76Å; G1461-Y1463 VanDerWaalsContact O-CD2 3.32Å; G1461-Y1463 WeakPolarHBondContact O-CD2 3.5Å |
| 1462 | I | 89.4 | Confident | 80.4 | Confident | 9 Ų | 9 | 62.7 Ų | 62.7 | 5% | 0.046 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 114 | 174.8 | -65.7 | 177.3 | 0 | 0 | 0 | 107.8 | I1449 V1450 L1507 I1515 A1523 | I1449-I1462 HydrophobicContact CB-CG2 3.9Å; I1449-I1462 HydrophobicContact CD1-CG2 3.79Å; I1449-I1462 HydrophobicContact CG1-CG2 4.33Å; I1449-I1462 HydrophobicContact CG2-CG2 4.35Å; V1450-I1462 WeakPolarHBondContact O-CA 3.39Å; I1462-L1507 HydrophobicContact CG2-CD1 4.43Å; I1462-L1507 PolarHBondContact O-N 3.02Å; I1462-I1515 HydrophobicContact CB-CD1 4.12Å; I1462-I1515 HydrophobicContact CD1-CD1 3.95Å; I1462-I1515 HydrophobicContact CD1-CG1 4.38Å; I1462-I1515 HydrophobicContact CG2-CD1 4.2Å; I1462-A1523 HydrophobicContact CD1-CB 3.51Å |
| 1463 | Y | 92 | Very high | 80.5 | Confident | 18 Ų | 18 | 61.1 Ų | 61.1 | 7% | 0.071 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 147.9 | -173.7 | -64.2 | -92.8 | 0 | 0 | 0 | 111.4 | I1449 V1450 A1452 S1454 D1459 G1461 R1465 D1505 R1506 Y1541 | I1449-Y1463 CarbonylContact C-O 3.28Å; I1449-Y1463 VanDerWaalsContact CA-O 3.29Å; I1449-Y1463 WeakPolarHBondContact CA-O 3.38Å; V1450-Y1463 PolarHBondContact N-O 2.95Å; V1450-Y1463 PolarHBondContact O-N 3.4Å; A1452-Y1463 HydrophobicContact CB-CD2 3.91Å; A1452-Y1463 HydrophobicContact CB-CE2 4.42Å; A1452-Y1463 WeakPolarHBondContact O-CE2 3.36Å; S1454-Y1463 WeakPolarHBondContact CB-OH 3.21Å; S1454-Y1463 PolarHBondContact N-OH 2.84Å; D1459-Y1463 PolarHBondContact O-OH 2.98Å; G1461-Y1463 VanDerWaalsContact O-CD2 3.32Å; G1461-Y1463 WeakPolarHBondContact O-CD2 3.5Å; Y1463-R1465 PolarHBondContact O-N 3.12Å; Y1463-D1505 CarbonylContact C-O 3.57Å; Y1463-D1505 WeakPolarHBondContact CA-O 3.43Å; Y1463-R1506 HydrophobicContact CD1-CB 3.77Å; Y1463-R1506 HydrophobicContact CD1-CG 4.14Å; Y1463-R1506 HydrophobicContact CE1-CB 3.59Å; Y1463-R1506 HydrophobicContact CE1-CG 3.76Å; Y1463-Y1541 HydrophobicContact CE1-CE2 4.24Å |
| 1464 | V | 90.9 | Very high | 80.8 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 114.5 | 172.9 | 177.9 | 0 | 0 | 0 | 0 | 109.1 | L1447 I1467 L1501 Q1502 I1503 G1504 D1505 L1507 | L1447-V1464 HydrophobicContact CD1-CB 4.48Å; L1447-V1464 HydrophobicContact CD1-CG1 3.65Å; L1447-V1464 HydrophobicContact CD1-CG2 4.03Å; L1447-V1464 HydrophobicContact CD2-CG2 4.44Å; V1464-I1467 HydrophobicContact CG1-CD1 4.33Å; V1464-I1467 HydrophobicContact CG1-CG1 4.03Å; V1464-L1501 HydrophobicContact CG2-CD2 4.12Å; V1464-Q1502 WeakPolarHBondContact CB-O 3.25Å; V1464-Q1502 VanDerWaalsContact CG1-O 3.3Å; V1464-Q1502 WeakPolarHBondContact CG1-O 3.3Å; V1464-I1503 WeakPolarHBondContact O-CA 3.36Å; V1464-G1504 PolarHBondContact O-N 3.37Å; V1464-D1505 HydrophobicContact CB-CB 4.32Å; V1464-D1505 HydrophobicContact CG2-CB 4.05Å; V1464-D1505 PolarHBondContact N-O 3.23Å; V1464-L1507 HydrophobicContact CG2-CD2 4.23Å; V1464-L1507 HydrophobicContact CG2-CG 4.37Å |
| 1465 | R | 89.5 | Confident | 81.2 | Confident | 168 Ų | 168 | 62.4 Ų | 62.4 | 63% | 0.634 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -24.1 | 179.3 | -176.4 | 173.6 | 177.8 | 169.8 | 2.8 | 113 | S1448 V1450 Y1463 | S1448-R1465 PolarHBondContact O-N 3.38Å; V1450-R1465 HydrophobicContact CB-CB 4.22Å; V1450-R1465 HydrophobicContact CG1-CB 3.93Å; V1450-R1465 HydrophobicContact CG1-CG 4.4Å; Y1463-R1465 PolarHBondContact O-N 3.12Å |
| 1466 | G | 86.6 | Confident | 82.5 | Confident | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -176.3 | 156.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S1448 | S1448-G1466 WeakPolarHBondContact CB-O 3.32Å; S1448-G1466 PolarHBondContact N-O 3.2Å; S1448-G1466 PolarHBondContact O-N 2.86Å |
| 1467 | I | 90 | Very high | 83.4 | Confident | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.195 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 123.8 | 179.6 | -62.8 | 167.8 | 0 | 0 | 0 | 106.9 | L1447 V1464 P1469 A1473 L1501 | L1447-I1467 HydrophobicContact CD1-CG1 3.9Å; V1464-I1467 HydrophobicContact CG1-CD1 4.33Å; V1464-I1467 HydrophobicContact CG1-CG1 4.03Å; I1467-P1469 WeakPolarHBondContact O-CD 3.3Å; I1467-A1473 HydrophobicContact CG2-CB 3.91Å; I1467-L1501 VanDerWaalsContact CD1-C 3.46Å; I1467-L1501 HydrophobicContact CD1-CB 3.81Å; I1467-L1501 WeakPolarHBondContact CD1-O 3.29Å |
| 1468 | N | 85.6 | Confident | 84.3 | Confident | 87 Ų | 87 | 58.3 Ų | 58.3 | 47% | 0.465 | 32% | 0.315 | S | S | . | . | trans | -75.1 | 124.9 | 178.6 | -68.6 | -17.6 | 0 | 0 | 0 | 109.9 | G1446 G1470 S1471 | G1446-N1468 WeakPolarHBondContact O-CB 3.47Å; G1446-N1468 PolarHBondContact O-N 3.35Å; N1468-G1470 PolarHBondContact O-N 3.49Å; N1468-S1471 VanDerWaalsContact O-CB 3.3Å; N1468-S1471 WeakPolarHBondContact O-CB 3.36Å; N1468-S1471 PolarHBondContact O-N 3.41Å; N1468-S1471 PolarHBondContact O-OG 2.92Å | ||
| 1469 | P | 81.8 | Confident | 84.8 | Confident | 120 Ų | 120 | 54 Ų | 54 | 78% | 0.779 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | 138.8 | 175.2 | -25.4 | 35.2 | 0 | 0 | 0 | 112.2 | I1467 S1471 | I1467-P1469 WeakPolarHBondContact O-CD 3.3Å; P1469-S1471 PolarHBondContact O-N 2.98Å |
| 1470 | G | 76.8 | Confident | 83.8 | Confident | 55 Ų | 55 | 59.2 Ų | 59.2 | 57% | 0.567 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | -13.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | N1468 S1474 Q1475 | N1468-G1470 PolarHBondContact O-N 3.49Å; G1470-S1474 WeakPolarHBondContact CA-OG 3.49Å; G1470-S1474 PolarHBondContact N-OG 2.92Å; G1470-Q1475 PolarHBondContact O-NE2 2.78Å |
| 1471 | S | 86.6 | Confident | 81.9 | Confident | 18 Ų | 18 | 57.5 Ų | 57.5 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -74.7 | 168.9 | 176.5 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | L1445 N1468 P1469 A1473 S1474 Q1475 | L1445-S1471 PolarHBondContact O-OG 3.17Å; N1468-S1471 VanDerWaalsContact O-CB 3.3Å; N1468-S1471 WeakPolarHBondContact O-CB 3.36Å; N1468-S1471 PolarHBondContact O-N 3.41Å; N1468-S1471 PolarHBondContact O-OG 2.92Å; P1469-S1471 PolarHBondContact O-N 2.98Å; S1471-A1473 VanDerWaalsContact C-N 3.27Å; S1471-A1473 PolarHBondContact O-N 3.43Å; S1471-S1474 PolarHBondContact N-OG 3.01Å; S1471-S1474 WeakPolarHBondContact O-CA 3.41Å; S1471-S1474 WeakPolarHBondContact O-CB 3.34Å; S1471-S1474 PolarHBondContact O-N 3.21Å; S1471-S1474 PolarHBondContact O-OG 3.34Å; S1471-Q1475 PolarHBondContact O-N 3.03Å |
| 1472 | G | 84.8 | Confident | 79.1 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -53.3 | -40.2 | 179 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1438 P1439 L1445 S1474 Q1475 A1476 | V1438-G1472 VanDerWaalsContact CG1-C 3.46Å; V1438-G1472 WeakPolarHBondContact CG1-O 3.45Å; P1439-G1472 WeakPolarHBondContact O-CA 3.29Å; L1445-G1472 PolarHBondContact O-N 2.91Å; G1472-S1474 PolarHBondContact O-N 3Å; G1472-Q1475 CarbonylContact O-C 3.52Å; G1472-Q1475 WeakPolarHBondContact O-CA 3.41Å; G1472-Q1475 PolarHBondContact O-N 3.11Å; G1472-A1476 PolarHBondContact O-N 3.02Å |
| 1473 | A | 87.5 | Confident | 76.1 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -62.4 | -27.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | V1438 L1445 L1447 I1467 S1471 Q1475 | V1438-A1473 HydrophobicContact CG1-CB 4.34Å; L1445-A1473 VanDerWaalsContact O-CB 3.31Å; L1445-A1473 WeakPolarHBondContact O-CB 3.31Å; L1445-A1473 PolarHBondContact O-N 2.93Å; L1447-A1473 HydrophobicContact CB-CB 3.95Å; L1447-A1473 HydrophobicContact CD1-CB 4.06Å; I1467-A1473 HydrophobicContact CG2-CB 3.91Å; S1471-A1473 VanDerWaalsContact C-N 3.27Å; S1471-A1473 PolarHBondContact O-N 3.43Å; A1473-Q1475 VanDerWaalsContact C-N 3.31Å |
| 1474 | S | 85.1 | Confident | 73.1 | Confident | 43 Ų | 43 | 76 Ų | 76 | 30% | 0.301 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -80.7 | -11.5 | 171.8 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | G1470 S1471 G1472 | G1470-S1474 WeakPolarHBondContact CA-OG 3.49Å; G1470-S1474 PolarHBondContact N-OG 2.92Å; S1471-S1474 PolarHBondContact N-OG 3.01Å; S1471-S1474 WeakPolarHBondContact O-CA 3.41Å; S1471-S1474 WeakPolarHBondContact O-CB 3.34Å; S1471-S1474 PolarHBondContact O-N 3.21Å; S1471-S1474 PolarHBondContact O-OG 3.34Å; G1472-S1474 PolarHBondContact O-N 3Å |
| 1475 | Q | 84.3 | Confident | 70 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | G | 310 helix | trans | -109.9 | 16.4 | 179.7 | -56.6 | -179 | 31.4 | 0 | 0 | 112.5 | P1439 G1470 S1471 G1472 A1473 | P1439-Q1475 HydrophobicContact CG-CB 4.11Å; G1470-Q1475 PolarHBondContact O-NE2 2.78Å; S1471-Q1475 PolarHBondContact O-N 3.03Å; G1472-Q1475 CarbonylContact O-C 3.52Å; G1472-Q1475 WeakPolarHBondContact O-CA 3.41Å; G1472-Q1475 PolarHBondContact O-N 3.11Å; A1473-Q1475 VanDerWaalsContact C-N 3.31Å |
| 1476 | A | 87.8 | Confident | 67.2 | Low | 10 Ų | 10 | 84.3 Ų | 84.3 | 8% | 0.083 | 46% | 0.457 | C | S | . | . | trans | -60.4 | 151.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V1437 V1438 G1472 Y1500 L1501 | V1437-A1476 CarbonylContact O-C 3.57Å; V1437-A1476 VanDerWaalsContact O-CA 3.24Å; V1437-A1476 WeakPolarHBondContact O-CA 3.12Å; V1438-A1476 HydrophobicContact CG2-CB 4.05Å; G1472-A1476 PolarHBondContact O-N 3.02Å; A1476-Y1500 VanDerWaalsContact O-CD2 3.22Å; A1476-Y1500 WeakPolarHBondContact O-CD2 3.44Å; A1476-L1501 HydrophobicContact CB-CD1 3.96Å | ||
| 1477 | K | 84.4 | Confident | 64.3 | Low | 132 Ų | 132 | 90.7 Ų | 90.7 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 138.6 | -178.4 | -62.5 | 173 | -172.9 | 165.4 | 0 | 110.5 | V1436 V1437 | V1436-K1477 CarbonylContact C-O 3.57Å; V1436-K1477 WeakPolarHBondContact CA-O 3.32Å; V1436-K1477 WeakPolarHBondContact CB-O 3.5Å; V1437-K1477 PolarHBondContact N-O 3.27Å; V1437-K1477 PolarHBondContact O-N 3.24Å |
| 1478 | L | 84.2 | Confident | 61.2 | Low | 61 Ų | 61 | 94.2 Ų | 94.2 | 32% | 0.319 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 136.2 | 177.9 | -165.6 | 70.2 | 0 | 0 | 0 | 111.7 | Y1434 V1436 L1495 Y1500 | Y1434-L1478 HydrophobicContact CD2-CD1 3.71Å; Y1434-L1478 HydrophobicContact CG-CD1 4.25Å; V1436-L1478 HydrophobicContact CG1-CD1 4.16Å; L1478-L1495 HydrophobicContact CD1-CD2 4.09Å; L1478-L1495 HydrophobicContact CD2-CB 4.5Å; L1478-L1495 HydrophobicContact CD2-CD2 4.49Å; L1478-Y1500 HydrophobicContact CB-CD1 4.18Å; L1478-Y1500 HydrophobicContact CB-CE1 4.25Å |
| 1479 | I | 77.8 | Confident | 58.4 | Low | 60 Ų | 60 | 97.9 Ų | 97.9 | 31% | 0.308 | 53% | 0.532 | S | S | . | . | trans | -88.1 | 122.1 | 169 | -58.2 | 177.9 | 0 | 0 | 0 | 108.2 | S1435 V1437 C1481 V1535 | S1435-I1479 PolarHBondContact O-N 2.91Å; V1437-I1479 HydrophobicContact CG2-CD1 3.75Å; V1437-I1479 HydrophobicContact CG2-CG1 3.58Å; I1479-C1481 PolarHBondContact O-N 3.39Å; I1479-V1535 HydrophobicContact CD1-CB 4.33Å; I1479-V1535 HydrophobicContact CD1-CG1 3.53Å; I1479-V1535 HydrophobicContact CD1-CG2 3.88Å | ||
| 1480 | H | 48.4 | Very low | 56 | Low | 158 Ų | 158 | 100.9 Ų | 100.9 | 73% | 0.731 | 54% | 0.536 | S | S | * | . | trans | -83 | 108.4 | 176.9 | -159.9 | 75.3 | 0 | 0 | 0 | 110.2 | N1482 | H1480-N1482 PolarHBondContact CD2-OD1 3.32Å; H1480-N1482 PolarHBondContact O-N 3.03Å | ||
| 1481 | C | 39.5 | Very low | 53.9 | Low | 97 Ų | 97 | 100.9 Ų | 100.9 | 66% | 0.655 | 53% | 0.527 | S | S | * | . | trans | -83.1 | 89.5 | -174.6 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | I1479 N1483 | I1479-C1481 PolarHBondContact O-N 3.39Å; C1481-N1483 PolarHBondContact O-N 3.1Å; C1481-N1483 VanDerWaalsContact O-N 3.13Å | ||
| 1482 | N | 28 | Very low | 51.4 | Low | 128 Ų | 128 | 105.3 Ų | 105.3 | 68% | 0.684 | 55% | 0.549 | S | S | * | . | trans | -72.3 | 99.2 | 166.9 | -73.8 | -6.7 | 0 | 0 | 0 | 110.6 | H1480 | H1480-N1482 PolarHBondContact CD2-OD1 3.32Å; H1480-N1482 PolarHBondContact O-N 3.03Å | ||
| 1483 | N | 26.9 | Very low | 49.4 | Very low | 145 Ų | 145 | 112 Ų | 112 | 78% | 0.775 | 58% | 0.578 | S | S | * | * | trans | 159.3 | 149.3 | 130.5 | -77.6 | -19.4 | 0 | 0 | 0 | 113.7 | C1481 | C1481-N1483 PolarHBondContact O-N 3.1Å; C1481-N1483 VanDerWaalsContact O-N 3.13Å | ||
| 1484 | H | 28.2 | Very low | 47.2 | Very low | 161 Ų | 161 | 119.2 Ų | 119.2 | 75% | 0.745 | 61% | 0.607 | S | S | * | * | S | Bend | trans | 69.2 | 102.4 | 171.1 | -73.8 | -76.6 | 0 | 0 | 0 | 120.4 | ||
| 1485 | E | 26.4 | Very low | 45.5 | Very low | 184 Ų | 184 | 118.6 Ų | 118.6 | 86% | 0.86 | 60% | 0.6 | S | S | * | * | trans | 57.3 | 58.2 | 135.8 | -59 | -171.3 | 137.8 | 0 | 0 | 119.6 | ||||
| 1486 | I | 30.1 | Very low | 43.7 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 82% | 0.815 | 61% | 0.614 | S | S | * | * | trans | -129.6 | 139.5 | 149.3 | -58.3 | -178.5 | 0 | 0 | 0 | 108.6 | P1488 | I1486-P1488 WeakPolarHBondContact O-CD 3.46Š| ||
| 1487 | N | 25.3 | Very low | 41.7 | Very low | 148 Ų | 148 | 124.6 Ų | 124.6 | 79% | 0.791 | 64% | 0.636 | S | S | * | * | trans | -63.2 | 121.4 | -175 | -77.5 | -39.9 | 0 | 0 | 0 | 112.6 | L1489 | N1487-L1489 PolarHBondContact O-N 3.23Š| ||
| 1488 | P | 25.4 | Very low | 40.2 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 73% | 0.734 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 74.4 | -176.4 | 34.3 | -35.9 | 0 | 0 | 0 | 111.8 | I1486 | I1486-P1488 WeakPolarHBondContact O-CD 3.46Š|
| 1489 | L | 26.7 | Very low | 38.9 | Very low | 164 Ų | 164 | 122.8 Ų | 122.8 | 86% | 0.859 | 64% | 0.644 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.2 | 2.6 | 178 | -113.1 | 166.7 | 0 | 0 | 0 | 116 | N1487 | N1487-L1489 PolarHBondContact O-N 3.23Š|
| 1490 | Q | 31.6 | Very low | 39 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 86% | 0.855 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -142.1 | -5 | -176.5 | -103.7 | 174.1 | -16.3 | 0 | 0 | 116.6 | ||
| 1491 | S | 32.5 | Very low | 40.8 | Very low | 54 Ų | 54 | 116.2 Ų | 116.2 | 38% | 0.378 | 61% | 0.609 | S | S | . | * | S | Bend | trans | -81.9 | -36.8 | -176.3 | 39.2 | 0 | 0 | 0 | 0 | 115 | K1493 Y1494 | S1491-K1493 VanDerWaalsContact C-N 3.35Å; S1491-K1493 PolarHBondContact O-N 3.46Å; S1491-Y1494 PolarHBondContact O-N 3.46Å |
| 1492 | D | 35.3 | Very low | 43 | Very low | 111 Ų | 111 | 114.6 Ų | 114.6 | 59% | 0.594 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -80.8 | -12.4 | -149.5 | -60.3 | -4.7 | 0 | 0 | 0 | 114.8 | Y1494 | D1492-Y1494 VanDerWaalsContact C-N 3.35Å; D1492-Y1494 PolarHBondContact O-N 2.99Å |
| 1493 | K | 42.3 | Very low | 45.7 | Very low | 140 Ų | 140 | 114.4 Ų | 114.4 | 61% | 0.609 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -73.1 | -21.6 | 179 | -76.5 | 177.7 | 175.3 | 179.8 | 0 | 114.1 | S1491 T1550 | S1491-K1493 VanDerWaalsContact C-N 3.35Å; S1491-K1493 PolarHBondContact O-N 3.46Å; K1493-T1550 HydrophobicContact CD-CG2 3.79Å; K1493-T1550 HydrophobicContact CG-CG2 4.47Å; K1493-T1550 VanDerWaalsContact NZ-CB 3.35Å; K1493-T1550 PolarHBondContact NZ-OG1 3.41Å |
| 1494 | Y | 41.5 | Very low | 48.5 | Very low | 154 Ų | 154 | 109.6 Ų | 109.6 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -100.7 | -0.4 | -173.6 | -62.7 | -73 | 0 | 0 | 0 | 114.9 | S1491 D1492 | S1491-Y1494 PolarHBondContact O-N 3.46Å; D1492-Y1494 VanDerWaalsContact C-N 3.35Å; D1492-Y1494 PolarHBondContact O-N 2.99Å |
| 1495 | L | 48.8 | Very low | 51.5 | Low | 30 Ų | 30 | 102 Ų | 102 | 16% | 0.157 | 54% | 0.539 | C | S | . | . | S | Bend | trans | -115.1 | -1.9 | -176.5 | -77.6 | 166.9 | 0 | 0 | 0 | 114.5 | Y1434 L1478 | Y1434-L1495 HydrophobicContact CD1-CD2 3.99Å; Y1434-L1495 HydrophobicContact CD2-CD2 4.05Å; Y1434-L1495 HydrophobicContact CE1-CD2 4.45Å; Y1434-L1495 HydrophobicContact CE2-CD2 4.48Å; Y1434-L1495 HydrophobicContact CG-CD2 3.8Å; L1478-L1495 HydrophobicContact CD1-CD2 4.09Å; L1478-L1495 HydrophobicContact CD2-CB 4.5Å; L1478-L1495 HydrophobicContact CD2-CD2 4.49Å |
| 1496 | L | 45.7 | Very low | 54.5 | Low | 145 Ų | 145 | 95.3 Ų | 95.3 | 76% | 0.759 | 51% | 0.506 | S | S | * | . | trans | -88.1 | -9 | -176.8 | -107.2 | 75 | 0 | 0 | 0 | 115.3 | ||||
| 1497 | T | 46.9 | Very low | 57.4 | Low | 89 Ų | 89 | 88.2 Ų | 88.2 | 55% | 0.546 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -92.7 | 102.9 | 179.9 | 41 | 0 | 0 | 0 | 0 | 112.1 | P1499 | T1497-P1499 CarbonylContact O-C 3.59Å; T1497-P1499 VanDerWaalsContact O-O 3.13Å |
| 1498 | S | 52.6 | Low | 60.5 | Low | 91 Ų | 91 | 83.3 Ų | 83.3 | 64% | 0.636 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -65.1 | 137.8 | 166.1 | 57.6 | 0 | 0 | 0 | 0 | 110.8 | ||
| 1499 | P | 58 | Low | 63.5 | Low | 65 Ų | 65 | 78.5 Ų | 78.5 | 42% | 0.422 | 41% | 0.412 | S | S | . | . | cis | -76.6 | 141.9 | 5.4 | 31.7 | -36 | 0 | 0 | 0 | 113.3 | T1497 L1501 Q1502 | T1497-P1499 CarbonylContact O-C 3.59Å; T1497-P1499 VanDerWaalsContact O-O 3.13Å; P1499-L1501 VanDerWaalsContact C-N 3.31Å; P1499-L1501 WeakPolarHBondContact CB-O 3.25Å; P1499-L1501 WeakPolarHBondContact CG-O 3.2Å; P1499-L1501 PolarHBondContact O-N 2.92Å; P1499-Q1502 WeakPolarHBondContact O-CG 3.36Å; P1499-Q1502 PolarHBondContact O-NE2 2.78Å | ||
| 1500 | Y | 79.1 | Confident | 66.5 | Low | 80 Ų | 80 | 70.8 Ų | 70.8 | 31% | 0.314 | 37% | 0.372 | S | S | . | . | S | Bend | trans | -66.9 | -30.8 | -178.3 | -60.2 | -81.1 | 0 | 0 | 0 | 113 | Y1434 A1476 L1478 R1540 | Y1434-Y1500 PolarHBondContact OH-O 2.68Å; A1476-Y1500 VanDerWaalsContact O-CD2 3.22Å; A1476-Y1500 WeakPolarHBondContact O-CD2 3.44Å; L1478-Y1500 HydrophobicContact CB-CD1 4.18Å; L1478-Y1500 HydrophobicContact CB-CE1 4.25Å; Y1500-R1540 PolarHBondContact O-NH2 3.2Å |
| 1501 | L | 86.8 | Confident | 69.3 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -91.8 | 137.5 | 165.5 | -86.7 | 158.8 | 0 | 0 | 0 | 109.6 | V1436 V1438 V1464 I1467 A1476 P1499 L1536 V1538 | V1436-L1501 HydrophobicContact CG2-CD1 3.93Å; V1436-L1501 HydrophobicContact CG2-CG 4.06Å; V1438-L1501 HydrophobicContact CG2-CD1 3.78Å; V1464-L1501 HydrophobicContact CG2-CD2 4.12Å; I1467-L1501 VanDerWaalsContact CD1-C 3.46Å; I1467-L1501 HydrophobicContact CD1-CB 3.81Å; I1467-L1501 WeakPolarHBondContact CD1-O 3.29Å; A1476-L1501 HydrophobicContact CB-CD1 3.96Å; P1499-L1501 VanDerWaalsContact C-N 3.31Å; P1499-L1501 WeakPolarHBondContact CB-O 3.25Å; P1499-L1501 WeakPolarHBondContact CG-O 3.2Å; P1499-L1501 PolarHBondContact O-N 2.92Å; L1501-L1536 HydrophobicContact CD1-CD1 4.25Å; L1501-V1538 HydrophobicContact CD2-CG2 4.23Å |
| 1502 | Q | 85.7 | Confident | 71.7 | Confident | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 36% | 0.362 | S | S | . | . | trans | -136.8 | 163.5 | -176.9 | -63.6 | 179.2 | 7.3 | 0 | 0 | 110.8 | V1464 P1499 D1505 | V1464-Q1502 WeakPolarHBondContact CB-O 3.25Å; V1464-Q1502 VanDerWaalsContact CG1-O 3.3Å; V1464-Q1502 WeakPolarHBondContact CG1-O 3.3Å; P1499-Q1502 WeakPolarHBondContact O-CG 3.36Å; P1499-Q1502 PolarHBondContact O-NE2 2.78Å; Q1502-D1505 PolarHBondContact N-OD2 3.04Å; Q1502-D1505 WeakPolarHBondContact O-CB 3.45Å; Q1502-D1505 PolarHBondContact O-N 3.24Å | ||
| 1503 | I | 84.7 | Confident | 74.1 | Confident | 123 Ų | 123 | 66.3 Ų | 66.3 | 63% | 0.631 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.2 | 131.3 | 175.7 | -60.5 | 177.1 | 0 | 0 | 0 | 108.5 | V1464 | V1464-I1503 WeakPolarHBondContact O-CA 3.36Š|
| 1504 | G | 85 | Confident | 76.3 | Confident | 44 Ų | 44 | 62.3 Ų | 62.3 | 45% | 0.454 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 100.2 | -13.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1464 | V1464-G1504 PolarHBondContact O-N 3.37Š|
| 1505 | D | 90.4 | Very high | 78.4 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.011 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 136 | 172.8 | -79.5 | -28.9 | 0 | 0 | 0 | 111.6 | Y1434 Y1463 V1464 Q1502 V1538 R1540 | Y1434-D1505 VanDerWaalsContact OH-CG 3.24Å; Y1434-D1505 PolarHBondContact OH-OD1 3.39Å; Y1434-D1505 PolarHBondContact OH-OD2 2.74Å; Y1463-D1505 CarbonylContact C-O 3.57Å; Y1463-D1505 WeakPolarHBondContact CA-O 3.43Å; V1464-D1505 HydrophobicContact CB-CB 4.32Å; V1464-D1505 HydrophobicContact CG2-CB 4.05Å; V1464-D1505 PolarHBondContact N-O 3.23Å; Q1502-D1505 PolarHBondContact N-OD2 3.04Å; Q1502-D1505 WeakPolarHBondContact O-CB 3.45Å; Q1502-D1505 PolarHBondContact O-N 3.24Å; D1505-V1538 HydrophobicContact CB-CG1 3.58Å; D1505-R1540 WeakPolarHBondContact OD1-CB 3.42Å; D1505-R1540 IonicContact OD1-CZ 3.93Å; D1505-R1540 IonicContact OD1-NE 3.57Å; D1505-R1540 PolarHBondContact OD1-NE 3.11Å; D1505-R1540 IonicContact OD1-NH2 2.79Å; D1505-R1540 PolarHBondContact OD1-NH2 3.01Å; D1505-R1540 IonicContact OD2-CZ 2.83Å; D1505-R1540 IonicContact OD2-NE 2.66Å; D1505-R1540 IonicContact OD2-NH2 3.84Å; D1505-R1540 PolarHBondContact OD2-NH2 2.84Å |
| 1506 | R | 90.1 | Very high | 80 | Confident | 44 Ų | 44 | 58.3 Ų | 58.3 | 17% | 0.166 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 124.6 | 178.2 | -171.8 | -175.4 | -177 | -170.9 | 10.9 | 110.5 | D1459 L1460 Y1463 V1538 V1539 Y1541 | D1459-R1506 VanDerWaalsContact CG-CZ 3.48Å; D1459-R1506 IonicContact OD1-CZ 3.97Å; D1459-R1506 VanDerWaalsContact OD1-CZ 3.22Å; D1459-R1506 IonicContact OD1-NH1 2.99Å; D1459-R1506 PolarHBondContact OD1-NH1 2.87Å; D1459-R1506 IonicContact OD1-NH2 2.65Å; D1459-R1506 PolarHBondContact OD1-NH2 2.77Å; D1459-R1506 IonicContact OD2-CZ 3.85Å; D1459-R1506 IonicContact OD2-NH1 3.97Å; D1459-R1506 PolarHBondContact OD2-NH1 3.35Å; D1459-R1506 IonicContact OD2-NH2 2.68Å; L1460-R1506 PolarHBondContact O-NH2 3.07Å; Y1463-R1506 HydrophobicContact CD1-CB 3.77Å; Y1463-R1506 HydrophobicContact CD1-CG 4.14Å; Y1463-R1506 HydrophobicContact CE1-CB 3.59Å; Y1463-R1506 HydrophobicContact CE1-CG 3.76Å; R1506-V1538 CarbonylContact O-C 3.53Å; R1506-V1538 VanDerWaalsContact O-CA 3.31Å; R1506-V1538 WeakPolarHBondContact O-CA 3.47Å; R1506-V1539 HydrophobicContact CB-CB 4.36Å; R1506-V1539 PolarHBondContact N-O 2.94Å; R1506-V1539 PolarHBondContact O-N 3.14Å; R1506-Y1541 HydrophobicContact CB-CE2 4.03Å; R1506-Y1541 WeakPolarHBondContact CD-OH 3.44Å; R1506-Y1541 PolarHBondContact NH1-OH 3.34Å |
| 1507 | L | 91.1 | Very high | 81.5 | Confident | 9 Ų | 9 | 55.6 Ų | 55.6 | 5% | 0.047 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129.7 | 175.5 | -60.6 | -175.3 | 0 | 0 | 0 | 110.6 | L1447 I1449 I1462 V1464 I1515 L1536 V1538 | L1447-L1507 HydrophobicContact CD2-CD1 4.1Å; I1449-L1507 HydrophobicContact CG2-CD1 3.76Å; I1462-L1507 HydrophobicContact CG2-CD1 4.43Å; I1462-L1507 PolarHBondContact O-N 3.02Å; V1464-L1507 HydrophobicContact CG2-CD2 4.23Å; V1464-L1507 HydrophobicContact CG2-CG 4.37Å; L1507-I1515 HydrophobicContact CB-CD1 3.64Å; L1507-L1536 HydrophobicContact CD2-CB 4.33Å; L1507-L1536 HydrophobicContact CD2-CD1 4.13Å; L1507-V1538 HydrophobicContact CD2-CG2 3.94Å |
| 1508 | I | 89.6 | Confident | 83.2 | Confident | 46 Ų | 46 | 54.5 Ų | 54.5 | 24% | 0.236 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | -45 | 178 | -36.6 | 177.8 | 0 | 0 | 0 | 111.1 | T1433 S1514 I1515 T1516 T1537 V1539 | T1433-I1508 HydrophobicContact CG2-CD1 3.67Å; I1508-S1514 WeakPolarHBondContact O-CA 3.42Å; I1508-S1514 PolarHBondContact O-OG 2.9Å; I1508-I1515 PolarHBondContact O-N 2.72Å; I1508-T1516 HydrophobicContact CG2-CG2 4.21Å; I1508-T1537 HydrophobicContact CD1-CG2 4.04Å; I1508-T1537 PolarHBondContact N-O 3.11Å; I1508-V1539 HydrophobicContact CD1-CG2 3.38Å; I1508-V1539 HydrophobicContact CG1-CG2 3.74Å |
| 1509 | S | 89.5 | Confident | 84.6 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 8% | 0.084 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 158 | -175.2 | 77.4 | 0 | 0 | 0 | 0 | 112.3 | Q1513 T1537 | S1509-Q1513 CarbonylContact C-O 3.53Å; S1509-Q1513 WeakPolarHBondContact CA-O 3.29Å; S1509-Q1513 VanDerWaalsContact CB-O 3.25Å; S1509-Q1513 WeakPolarHBondContact CB-O 3.39Å; S1509-T1537 PolarHBondContact N-O 3.3Å; S1509-T1537 PolarHBondContact O-N 3.46Å; S1509-T1537 VanDerWaalsContact OG-CB 3.26Å; S1509-T1537 WeakPolarHBondContact OG-CB 3.39Å; S1509-T1537 PolarHBondContact OG-OG1 3.08Å |
| 1510 | V | 90.5 | Very high | 85.9 | Confident | 1 Ų | 1 | 53.7 Ų | 53.7 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 121.8 | 176.8 | 177.9 | 0 | 0 | 0 | 0 | 107 | G1512 Q1513 I1515 L1526 V1527 T1530 V1534 V1535 L1536 | V1510-G1512 PolarHBondContact O-N 3.03Å; V1510-G1512 VanDerWaalsContact O-N 3.13Å; V1510-Q1513 PolarHBondContact N-O 2.83Å; V1510-Q1513 WeakPolarHBondContact O-CB 3.31Å; V1510-Q1513 PolarHBondContact O-N 2.93Å; V1510-I1515 HydrophobicContact CB-CG2 4.42Å; V1510-I1515 HydrophobicContact CG2-CG2 3.82Å; V1510-L1526 HydrophobicContact CB-CD2 4.06Å; V1510-L1526 HydrophobicContact CG1-CD2 4.08Å; V1510-V1527 HydrophobicContact CG1-CG2 3.9Å; V1510-V1527 HydrophobicContact CG2-CG2 3.85Å; V1510-T1530 HydrophobicContact CG1-CG2 4.33Å; V1510-V1534 HydrophobicContact CG1-CG1 3.74Å; V1510-V1535 CarbonylContact C-O 3.59Å; V1510-V1535 WeakPolarHBondContact CA-O 3.4Å; V1510-L1536 HydrophobicContact CB-CD2 4.33Å; V1510-L1536 HydrophobicContact CG1-CD2 4.23Å; V1510-L1536 HydrophobicContact CG2-CD2 3.78Å |
| 1511 | N | 88.8 | Confident | 86.1 | Confident | 76 Ų | 76 | 54.8 Ų | 54.8 | 41% | 0.406 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.5 | 36.1 | -170.2 | -70.4 | 12.2 | 0 | 0 | 0 | 113.3 | Q1513 T1530 V1535 | N1511-Q1513 VanDerWaalsContact C-N 3.26Å; N1511-Q1513 PolarHBondContact O-N 2.82Å; N1511-T1530 WeakPolarHBondContact ND2-CG2 3.47Å; N1511-V1535 PolarHBondContact N-O 3.12Å; N1511-V1535 PolarHBondContact OD1-N 3.46Å; N1511-V1535 PolarHBondContact OD1-O 3.03Å |
| 1512 | G | 83.3 | Confident | 86.1 | Confident | 60 Ų | 60 | 57.5 Ų | 57.5 | 62% | 0.619 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -13.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V1510 S1514 | V1510-G1512 PolarHBondContact O-N 3.03Å; V1510-G1512 VanDerWaalsContact O-N 3.13Å; G1512-S1514 PolarHBondContact O-N 2.67Å |
| 1513 | Q | 85.5 | Confident | 86 | Confident | 119 Ų | 119 | 54.6 Ų | 54.6 | 56% | 0.556 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 118.3 | 174.4 | -172.4 | 171.7 | -0.4 | 0 | 0 | 110 | S1509 V1510 N1511 L1526 | S1509-Q1513 CarbonylContact C-O 3.53Å; S1509-Q1513 WeakPolarHBondContact CA-O 3.29Å; S1509-Q1513 VanDerWaalsContact CB-O 3.25Å; S1509-Q1513 WeakPolarHBondContact CB-O 3.39Å; V1510-Q1513 PolarHBondContact N-O 2.83Å; V1510-Q1513 WeakPolarHBondContact O-CB 3.31Å; V1510-Q1513 PolarHBondContact O-N 2.93Å; N1511-Q1513 VanDerWaalsContact C-N 3.26Å; N1511-Q1513 PolarHBondContact O-N 2.82Å; Q1513-L1526 HydrophobicContact CB-CD2 4.35Å; Q1513-L1526 HydrophobicContact CG-CD1 4.12Å |
| 1514 | S | 88 | Confident | 86 | Confident | 55 Ų | 55 | 52.5 Ų | 52.5 | 39% | 0.385 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 138.2 | -179 | -165.6 | 0 | 0 | 0 | 0 | 111.7 | I1508 G1512 T1516 | I1508-S1514 WeakPolarHBondContact O-CA 3.42Å; I1508-S1514 PolarHBondContact O-OG 2.9Å; G1512-S1514 PolarHBondContact O-N 2.67Å; S1514-T1516 WeakPolarHBondContact OG-CG2 3.49Å; S1514-T1516 PolarHBondContact OG-N 3.5Å; S1514-T1516 PolarHBondContact OG-OG1 2.61Å |
| 1515 | I | 86.2 | Confident | 85.9 | Confident | 5 Ų | 5 | 56.4 Ų | 56.4 | 3% | 0.026 | 33% | 0.332 | C | S | . | . | trans | -104.2 | 3.8 | 172.7 | 72.6 | 176.1 | 0 | 0 | 0 | 112.6 | I1462 L1507 I1508 V1510 G1517 L1518 A1523 L1526 | I1462-I1515 HydrophobicContact CB-CD1 4.12Å; I1462-I1515 HydrophobicContact CD1-CD1 3.95Å; I1462-I1515 HydrophobicContact CD1-CG1 4.38Å; I1462-I1515 HydrophobicContact CG2-CD1 4.2Å; L1507-I1515 HydrophobicContact CB-CD1 3.64Å; I1508-I1515 PolarHBondContact O-N 2.72Å; V1510-I1515 HydrophobicContact CB-CG2 4.42Å; V1510-I1515 HydrophobicContact CG2-CG2 3.82Å; I1515-G1517 PolarHBondContact O-N 3.42Å; I1515-G1517 VanDerWaalsContact O-N 3.11Å; I1515-L1518 HydrophobicContact CB-CD1 4.03Å; I1515-L1518 HydrophobicContact CB-CG 4.47Å; I1515-L1518 HydrophobicContact CG2-CD1 4.03Å; I1515-L1518 PolarHBondContact O-N 3.41Å; I1515-A1523 HydrophobicContact CB-CB 4.44Å; I1515-A1523 HydrophobicContact CD1-CB 4.33Å; I1515-A1523 HydrophobicContact CG2-CB 4.48Å; I1515-L1526 HydrophobicContact CG2-CD1 4.36Å | ||
| 1516 | T | 82.6 | Confident | 85.6 | Confident | 96 Ų | 96 | 57.3 Ų | 57.3 | 59% | 0.589 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 112.2 | 173.9 | 55.6 | 0 | 0 | 0 | 0 | 110.7 | I1508 S1514 | I1508-T1516 HydrophobicContact CG2-CG2 4.21Å; S1514-T1516 WeakPolarHBondContact OG-CG2 3.49Å; S1514-T1516 PolarHBondContact OG-N 3.5Å; S1514-T1516 PolarHBondContact OG-OG1 2.61Å |
| 1517 | G | 76.9 | Confident | 85.3 | Confident | 87 Ų | 87 | 56.6 Ų | 56.6 | 90% | 0.897 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.3 | -0.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | I1515 | I1515-G1517 PolarHBondContact O-N 3.42Å; I1515-G1517 VanDerWaalsContact O-N 3.11Å |
| 1518 | L | 83.2 | Confident | 84.8 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 35% | 0.351 | 36% | 0.361 | S | S | . | . | trans | -76.9 | 152.9 | 168 | -63.7 | -174.1 | 0 | 0 | 0 | 111.2 | I1515 D1522 L1526 | I1515-L1518 HydrophobicContact CB-CD1 4.03Å; I1515-L1518 HydrophobicContact CB-CG 4.47Å; I1515-L1518 HydrophobicContact CG2-CD1 4.03Å; I1515-L1518 PolarHBondContact O-N 3.41Å; L1518-D1522 HydrophobicContact CB-CB 4.33Å; L1518-L1526 HydrophobicContact CD1-CD1 3.62Å | ||
| 1519 | T | 81.5 | Confident | 84.4 | Confident | 74 Ų | 74 | 61.8 Ų | 61.8 | 45% | 0.454 | 38% | 0.382 | S | S | . | . | trans | -69.2 | 159.9 | 167.4 | 78.1 | 0 | 0 | 0 | 0 | 110.5 | D1521 D1522 A1523 | T1519-D1521 PolarHBondContact O-N 3.34Å; T1519-D1521 PolarHBondContact OG1-N 3.26Å; T1519-D1522 WeakPolarHBondContact CB-OD2 3.42Å; T1519-D1522 WeakPolarHBondContact CG2-OD2 3.37Å; T1519-D1522 PolarHBondContact O-N 3Å; T1519-D1522 PolarHBondContact OG1-N 2.97Å; T1519-D1522 PolarHBondContact OG1-OD2 2.99Å; T1519-A1523 PolarHBondContact O-N 3.02Å | ||
| 1520 | Q | 85.4 | Confident | 83.9 | Confident | 65 Ų | 65 | 62.3 Ų | 62.3 | 30% | 0.304 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -56.9 | -37.3 | 174.3 | -172.8 | -179.1 | -54.2 | 0 | 0 | 111.8 | I1449 A1451 L1524 | I1449-Q1520 HydrophobicContact CD1-CG 4.5Å; I1449-Q1520 HydrophobicContact CG1-CG 4.48Å; A1451-Q1520 HydrophobicContact CB-CB 4.32Å; Q1520-L1524 VanDerWaalsContact O-CG 3.29Å; Q1520-L1524 WeakPolarHBondContact O-CG 3.32Å; Q1520-L1524 PolarHBondContact O-N 2.99Å |
| 1521 | D | 84.1 | Confident | 83.2 | Confident | 102 Ų | 102 | 67.1 Ų | 67.1 | 55% | 0.545 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -74.6 | -32.9 | 179.9 | -66.7 | -31.6 | 0 | 0 | 0 | 112.4 | T1519 L1524 K1525 | T1519-D1521 PolarHBondContact O-N 3.34Å; T1519-D1521 PolarHBondContact OG1-N 3.26Å; D1521-L1524 PolarHBondContact O-N 3.14Å; D1521-K1525 VanDerWaalsContact O-CG 3.32Å; D1521-K1525 WeakPolarHBondContact O-CG 3.49Å; D1521-K1525 PolarHBondContact O-N 3.17Å |
| 1522 | D | 85.3 | Confident | 82.8 | Confident | 57 Ų | 57 | 69.8 Ų | 69.8 | 31% | 0.305 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.8 | -38.3 | 175.2 | -63.2 | -50.1 | 0 | 0 | 0 | 111.9 | L1518 T1519 L1524 K1525 L1526 | L1518-D1522 HydrophobicContact CB-CB 4.33Å; T1519-D1522 WeakPolarHBondContact CB-OD2 3.42Å; T1519-D1522 WeakPolarHBondContact CG2-OD2 3.37Å; T1519-D1522 PolarHBondContact O-N 3Å; T1519-D1522 PolarHBondContact OG1-N 2.97Å; T1519-D1522 PolarHBondContact OG1-OD2 2.99Å; D1522-L1524 VanDerWaalsContact C-N 3.3Å; D1522-L1524 PolarHBondContact O-N 2.82Å; D1522-K1525 WeakPolarHBondContact O-CB 3.02Å; D1522-K1525 PolarHBondContact O-N 3.45Å; D1522-K1525 IonicContact OD1-NZ 3.78Å; D1522-K1525 PolarHBondContact OD1-NZ 3.28Å; D1522-L1526 PolarHBondContact O-N 3.04Å |
| 1523 | A | 85.1 | Confident | 82.9 | Confident | 2 Ų | 2 | 72.1 Ų | 72.1 | 2% | 0.017 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.1 | -37.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | I1462 I1515 T1519 L1526 V1527 | I1462-A1523 HydrophobicContact CD1-CB 3.51Å; I1515-A1523 HydrophobicContact CB-CB 4.44Å; I1515-A1523 HydrophobicContact CD1-CB 4.33Å; I1515-A1523 HydrophobicContact CG2-CB 4.48Å; T1519-A1523 PolarHBondContact O-N 3.02Å; A1523-L1526 PolarHBondContact O-N 3.39Å; A1523-V1527 WeakPolarHBondContact O-CG2 3.38Å; A1523-V1527 PolarHBondContact O-N 3.1Å |
| 1524 | L | 83.3 | Confident | 83 | Confident | 79 Ų | 79 | 66.4 Ų | 66.4 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 172.5 | -76.3 | 170.6 | 0 | 0 | 0 | 112.5 | I1449 Q1520 D1521 D1522 L1526 V1527 A1528 | I1449-L1524 HydrophobicContact CD1-CD2 4.01Å; I1449-L1524 HydrophobicContact CD1-CG 4.14Å; I1449-L1524 HydrophobicContact CG1-CD2 4.23Å; Q1520-L1524 VanDerWaalsContact O-CG 3.29Å; Q1520-L1524 WeakPolarHBondContact O-CG 3.32Å; Q1520-L1524 PolarHBondContact O-N 2.99Å; D1521-L1524 PolarHBondContact O-N 3.14Å; D1522-L1524 VanDerWaalsContact C-N 3.3Å; D1522-L1524 PolarHBondContact O-N 2.82Å; L1524-L1526 VanDerWaalsContact C-N 3.3Å; L1524-L1526 PolarHBondContact O-N 3.17Å; L1524-V1527 PolarHBondContact O-N 2.95Å; L1524-A1528 WeakPolarHBondContact O-CB 3.37Å; L1524-A1528 PolarHBondContact O-N 2.86Å |
| 1525 | K | 83.8 | Confident | 83.1 | Confident | 127 Ų | 127 | 65.9 Ų | 65.9 | 55% | 0.552 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -60.1 | -41.8 | 172.8 | -68 | 164.6 | -154.5 | 165.2 | 0 | 111.3 | D1521 D1522 A1528 S1529 | D1521-K1525 VanDerWaalsContact O-CG 3.32Å; D1521-K1525 WeakPolarHBondContact O-CG 3.49Å; D1521-K1525 PolarHBondContact O-N 3.17Å; D1522-K1525 WeakPolarHBondContact O-CB 3.02Å; D1522-K1525 PolarHBondContact O-N 3.45Å; D1522-K1525 IonicContact OD1-NZ 3.78Å; D1522-K1525 PolarHBondContact OD1-NZ 3.28Å; K1525-A1528 WeakPolarHBondContact O-CA 3.34Å; K1525-A1528 WeakPolarHBondContact O-CB 3.28Å; K1525-A1528 PolarHBondContact O-N 3.03Å; K1525-A1528 VanDerWaalsContact O-N 3.08Å; K1525-S1529 PolarHBondContact O-N 3.05Å; K1525-S1529 PolarHBondContact O-OG 3.49Å |
| 1526 | L | 84.5 | Confident | 83.4 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 11% | 0.11 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 179.9 | -138.1 | 161.5 | 0 | 0 | 0 | 111.9 | V1510 Q1513 I1515 L1518 D1522 A1523 L1524 S1529 | V1510-L1526 HydrophobicContact CB-CD2 4.06Å; V1510-L1526 HydrophobicContact CG1-CD2 4.08Å; Q1513-L1526 HydrophobicContact CB-CD2 4.35Å; Q1513-L1526 HydrophobicContact CG-CD1 4.12Å; I1515-L1526 HydrophobicContact CG2-CD1 4.36Å; L1518-L1526 HydrophobicContact CD1-CD1 3.62Å; D1522-L1526 PolarHBondContact O-N 3.04Å; A1523-L1526 PolarHBondContact O-N 3.39Å; L1524-L1526 VanDerWaalsContact C-N 3.3Å; L1524-L1526 PolarHBondContact O-N 3.17Å; L1526-S1529 PolarHBondContact O-OG 2.95Å |
| 1527 | V | 83.5 | Confident | 83.9 | Confident | 29 Ų | 29 | 62.4 Ų | 62.4 | 18% | 0.176 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -73.1 | -25.7 | 171.4 | 175 | 0 | 0 | 0 | 0 | 112.6 | K1440 L1445 V1510 A1523 L1524 T1530 | K1440-V1527 PolarHBondContact NZ-O 3.22Å; L1445-V1527 HydrophobicContact CD1-CG1 3.62Å; L1445-V1527 HydrophobicContact CG-CG1 3.9Å; V1510-V1527 HydrophobicContact CG1-CG2 3.9Å; V1510-V1527 HydrophobicContact CG2-CG2 3.85Å; A1523-V1527 WeakPolarHBondContact O-CG2 3.38Å; A1523-V1527 PolarHBondContact O-N 3.1Å; L1524-V1527 PolarHBondContact O-N 2.95Å; V1527-T1530 PolarHBondContact O-OG1 3.38Å |
| 1528 | A | 80.8 | Confident | 84.5 | Confident | 67 Ų | 67 | 58.2 Ų | 58.2 | 55% | 0.554 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -72.4 | -40.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | K1440 L1524 K1525 T1530 | K1440-A1528 PolarHBondContact NZ-O 3.33Å; L1524-A1528 WeakPolarHBondContact O-CB 3.37Å; L1524-A1528 PolarHBondContact O-N 2.86Å; K1525-A1528 WeakPolarHBondContact O-CA 3.34Å; K1525-A1528 WeakPolarHBondContact O-CB 3.28Å; K1525-A1528 PolarHBondContact O-N 3.03Å; K1525-A1528 VanDerWaalsContact O-N 3.08Å; A1528-T1530 VanDerWaalsContact C-N 3.35Å; A1528-T1530 PolarHBondContact O-N 3.36Å |
| 1529 | S | 81.2 | Confident | 84.7 | Confident | 96 Ų | 96 | 55.7 Ų | 55.7 | 67% | 0.671 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -74.3 | -13 | -177.2 | 50.9 | 0 | 0 | 0 | 0 | 116.2 | K1525 L1526 | K1525-S1529 PolarHBondContact O-N 3.05Å; K1525-S1529 PolarHBondContact O-OG 3.49Å; L1526-S1529 PolarHBondContact O-OG 2.95Å |
| 1530 | T | 79 | Confident | 84.9 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -76.9 | 161 | -179.6 | 46.8 | 0 | 0 | 0 | 0 | 113.7 | K1440 V1510 N1511 V1527 A1528 V1534 | K1440-T1530 PolarHBondContact NZ-O 3.21Å; V1510-T1530 HydrophobicContact CG1-CG2 4.33Å; N1511-T1530 WeakPolarHBondContact ND2-CG2 3.47Å; V1527-T1530 PolarHBondContact O-OG1 3.38Å; A1528-T1530 VanDerWaalsContact C-N 3.35Å; A1528-T1530 PolarHBondContact O-N 3.36Å; T1530-V1534 HydrophobicContact CG2-CG1 4.48Å; T1530-V1534 WeakPolarHBondContact OG1-CG2 3.47Å |
| 1531 | T | 74.8 | Confident | 84.2 | Confident | 102 Ų | 102 | 52 Ų | 52 | 63% | 0.626 | 29% | 0.289 | S | S | * | . | trans | -71.4 | -173.8 | 176.7 | 44.1 | 0 | 0 | 0 | 0 | 113.6 | K1440 E1533 | K1440-T1531 WeakPolarHBondContact CD-O 3.36Å; T1531-E1533 PolarHBondContact O-N 2.98Å; T1531-E1533 VanDerWaalsContact O-N 3.09Å | ||
| 1532 | D | 81 | Confident | 82.9 | Confident | 132 Ų | 132 | 49.8 Ų | 49.8 | 71% | 0.706 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -62.2 | -14.8 | -173.4 | -53.5 | -35.2 | 0 | 0 | 0 | 115.3 | K1440 | K1440-D1532 WeakPolarHBondContact CB-O 3.38Å; K1440-D1532 PolarHBondContact N-O 3.18Å |
| 1533 | E | 84.7 | Confident | 81.2 | Confident | 109 Ų | 109 | 53.1 Ų | 53.1 | 51% | 0.509 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140.8 | 166.3 | -67.6 | -164.3 | 143.4 | 0 | 0 | 110.5 | V1437 T1531 | V1437-E1533 HydrophobicContact CG1-CB 3.89Å; V1437-E1533 HydrophobicContact CG1-CG 4.13Å; T1531-E1533 PolarHBondContact O-N 2.98Å; T1531-E1533 VanDerWaalsContact O-N 3.09Å |
| 1534 | V | 89 | Confident | 78.9 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.1 | -177.2 | -172.8 | 0 | 0 | 0 | 0 | 109.7 | V1438 K1440 L1445 V1510 T1530 L1536 | V1438-V1534 PolarHBondContact N-O 3.3Å; V1438-V1534 PolarHBondContact O-N 3.22Å; K1440-V1534 HydrophobicContact CD-CG2 4.25Å; L1445-V1534 HydrophobicContact CD1-CB 4.34Å; L1445-V1534 HydrophobicContact CD1-CG1 4.4Å; L1445-V1534 HydrophobicContact CD2-CB 4.17Å; L1445-V1534 HydrophobicContact CD2-CG2 3.83Å; V1510-V1534 HydrophobicContact CG1-CG1 3.74Å; T1530-V1534 HydrophobicContact CG2-CG1 4.48Å; T1530-V1534 WeakPolarHBondContact OG1-CG2 3.47Å; V1534-L1536 HydrophobicContact CG1-CD2 3.97Å |
| 1535 | V | 90.2 | Very high | 76.3 | Confident | 44 Ų | 44 | 61.5 Ų | 61.5 | 27% | 0.267 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 124 | 173.8 | 179 | 0 | 0 | 0 | 0 | 109 | V1436 I1479 V1510 N1511 | V1436-V1535 CarbonylContact O-C 3.52Å; V1436-V1535 WeakPolarHBondContact O-CA 3.41Å; I1479-V1535 HydrophobicContact CD1-CB 4.33Å; I1479-V1535 HydrophobicContact CD1-CG1 3.53Å; I1479-V1535 HydrophobicContact CD1-CG2 3.88Å; V1510-V1535 CarbonylContact C-O 3.59Å; V1510-V1535 WeakPolarHBondContact CA-O 3.4Å; N1511-V1535 PolarHBondContact N-O 3.12Å; N1511-V1535 PolarHBondContact OD1-N 3.46Å; N1511-V1535 PolarHBondContact OD1-O 3.03Å |
| 1536 | L | 92.3 | Very high | 73.5 | Confident | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 128.7 | 172.1 | -56.9 | -179.2 | 0 | 0 | 0 | 109.1 | S1435 V1436 V1438 L1445 L1447 L1501 L1507 V1510 V1534 V1538 | S1435-L1536 CarbonylContact C-O 3.57Å; S1435-L1536 VanDerWaalsContact CA-O 3.3Å; S1435-L1536 WeakPolarHBondContact CA-O 3.37Å; V1436-L1536 HydrophobicContact CG2-CB 4.03Å; V1436-L1536 PolarHBondContact N-O 3.15Å; V1436-L1536 PolarHBondContact O-N 2.85Å; V1438-L1536 HydrophobicContact CG2-CD1 3.81Å; V1438-L1536 HydrophobicContact CG2-CG 4.1Å; L1445-L1536 HydrophobicContact CD1-CD1 4.42Å; L1447-L1536 HydrophobicContact CD2-CD1 3.84Å; L1501-L1536 HydrophobicContact CD1-CD1 4.25Å; L1507-L1536 HydrophobicContact CD2-CB 4.33Å; L1507-L1536 HydrophobicContact CD2-CD1 4.13Å; V1510-L1536 HydrophobicContact CB-CD2 4.33Å; V1510-L1536 HydrophobicContact CG1-CD2 4.23Å; V1510-L1536 HydrophobicContact CG2-CD2 3.78Å; V1534-L1536 HydrophobicContact CG1-CD2 3.97Å; L1536-V1538 HydrophobicContact CB-CG2 4.21Å |
| 1537 | T | 91.4 | Very high | 70.7 | Confident | 26 Ų | 26 | 65.8 Ų | 65.8 | 16% | 0.16 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.3 | 166.6 | -54.4 | 0 | 0 | 0 | 0 | 109.3 | T1433 Y1434 S1435 I1508 S1509 | T1433-T1537 HydrophobicContact CG2-CG2 3.8Å; Y1434-T1537 WeakPolarHBondContact O-CA 3.41Å; S1435-T1537 PolarHBondContact OG-OG1 3.45Å; I1508-T1537 HydrophobicContact CD1-CG2 4.04Å; I1508-T1537 PolarHBondContact N-O 3.11Å; S1509-T1537 PolarHBondContact N-O 3.3Å; S1509-T1537 PolarHBondContact O-N 3.46Å; S1509-T1537 VanDerWaalsContact OG-CB 3.26Å; S1509-T1537 WeakPolarHBondContact OG-CB 3.39Å; S1509-T1537 PolarHBondContact OG-OG1 3.08Å |
| 1538 | V | 91 | Very high | 68 | Low | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 136.8 | -160.6 | -170.2 | 0 | 0 | 0 | 0 | 109.9 | T1433 Y1434 V1436 L1501 D1505 R1506 L1507 L1536 | T1433-V1538 VanDerWaalsContact CA-O 3.28Å; T1433-V1538 WeakPolarHBondContact CA-O 3.29Å; Y1434-V1538 HydrophobicContact CE1-CB 4.2Å; Y1434-V1538 HydrophobicContact CE1-CG1 4.23Å; Y1434-V1538 HydrophobicContact CE2-CB 4.04Å; Y1434-V1538 HydrophobicContact CE2-CG1 4.41Å; Y1434-V1538 HydrophobicContact CE2-CG2 4.36Å; Y1434-V1538 PolarHBondContact N-O 3.22Å; Y1434-V1538 PolarHBondContact O-N 3.21Å; Y1434-V1538 WeakPolarHBondContact OH-CG1 3.42Å; V1436-V1538 HydrophobicContact CG2-CG2 4.33Å; L1501-V1538 HydrophobicContact CD2-CG2 4.23Å; D1505-V1538 HydrophobicContact CB-CG1 3.58Å; R1506-V1538 CarbonylContact O-C 3.53Å; R1506-V1538 VanDerWaalsContact O-CA 3.31Å; R1506-V1538 WeakPolarHBondContact O-CA 3.47Å; L1507-V1538 HydrophobicContact CD2-CG2 3.94Å; L1536-V1538 HydrophobicContact CB-CG2 4.21Å |
| 1539 | V | 87 | Confident | 65.4 | Low | 13 Ų | 13 | 71.8 Ų | 71.8 | 8% | 0.079 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 126.4 | 159.9 | -173.6 | 0 | 0 | 0 | 0 | 108.9 | H1431 C1432 R1506 I1508 Y1541 | H1431-V1539 HydrophobicContact CB-CG1 3.85Å; C1432-V1539 WeakPolarHBondContact O-CA 3.5Å; R1506-V1539 HydrophobicContact CB-CB 4.36Å; R1506-V1539 PolarHBondContact N-O 2.94Å; R1506-V1539 PolarHBondContact O-N 3.14Å; I1508-V1539 HydrophobicContact CD1-CG2 3.38Å; I1508-V1539 HydrophobicContact CG1-CG2 3.74Å; V1539-Y1541 HydrophobicContact CB-CE2 4.42Å; V1539-Y1541 HydrophobicContact CG1-CD2 4.2Å; V1539-Y1541 HydrophobicContact CG1-CE2 4.08Å |
| 1540 | R | 85.3 | Confident | 62.7 | Low | 36 Ų | 36 | 71.6 Ų | 71.6 | 14% | 0.136 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.5 | 156.2 | -174.5 | 166.5 | -64.9 | 153.7 | 3.1 | 108.4 | C1432 Y1434 Y1500 D1505 | C1432-R1540 PolarHBondContact N-O 3.13Å; C1432-R1540 PolarHBondContact O-N 3.37Å; Y1434-R1540 HydrophobicContact CE1-CB 3.82Å; Y1434-R1540 PolarHBondContact OH-NH2 3.48Å; Y1500-R1540 PolarHBondContact O-NH2 3.2Å; D1505-R1540 WeakPolarHBondContact OD1-CB 3.42Å; D1505-R1540 IonicContact OD1-CZ 3.93Å; D1505-R1540 IonicContact OD1-NE 3.57Å; D1505-R1540 PolarHBondContact OD1-NE 3.11Å; D1505-R1540 IonicContact OD1-NH2 2.79Å; D1505-R1540 PolarHBondContact OD1-NH2 3.01Å; D1505-R1540 IonicContact OD2-CZ 2.83Å; D1505-R1540 IonicContact OD2-NE 2.66Å; D1505-R1540 IonicContact OD2-NH2 3.84Å; D1505-R1540 PolarHBondContact OD2-NH2 2.84Å |
| 1541 | Y | 71.7 | Confident | 60.1 | Low | 27 Ų | 27 | 75.8 Ų | 75.8 | 11% | 0.106 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 132.9 | 168.7 | -67.4 | -104.5 | 0 | 0 | 0 | 107.2 | H1431 D1459 Y1463 R1506 V1539 K1543 | H1431-Y1541 AromaticContact CD2-CD1 3.36Å; H1431-Y1541 WeakPolarHBondContact CD2-CD1 3.48Å; H1431-Y1541 AromaticContact CD2-CE1 3.44Å; H1431-Y1541 VanDerWaalsContact CD2-CE1 3.44Å; H1431-Y1541 WeakPolarHBondContact CD2-CE1 3.47Å; H1431-Y1541 AromaticContact NE2-CD1 3.45Å; H1431-Y1541 WeakPolarHBondContact NE2-CD1 3.22Å; H1431-Y1541 AromaticContact NE2-CE1 3.29Å; H1431-Y1541 VanDerWaalsContact NE2-CE1 3.29Å; H1431-Y1541 WeakPolarHBondContact NE2-CE1 3.38Å; D1459-Y1541 PolarHBondContact OD2-OH 2.75Å; Y1463-Y1541 HydrophobicContact CE1-CE2 4.24Å; R1506-Y1541 HydrophobicContact CB-CE2 4.03Å; R1506-Y1541 WeakPolarHBondContact CD-OH 3.44Å; R1506-Y1541 PolarHBondContact NH1-OH 3.34Å; V1539-Y1541 HydrophobicContact CB-CE2 4.42Å; V1539-Y1541 HydrophobicContact CG1-CD2 4.2Å; V1539-Y1541 HydrophobicContact CG1-CE2 4.08Å; Y1541-K1543 PolarHBondContact O-N 3.12Å |
| 1542 | A | 56.9 | Low | 57.7 | Low | 54 Ų | 54 | 77.5 Ų | 77.5 | 45% | 0.446 | 42% | 0.422 | S | S | . | . | trans | -71.4 | 102.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | R1430 | R1430-A1542 PolarHBondContact O-N 2.89Š| ||
| 1543 | K | 49.4 | Very low | 55 | Low | 127 Ų | 127 | 78.4 Ų | 78.4 | 55% | 0.552 | 43% | 0.426 | S | S | * | . | trans | -49.9 | 146.5 | 165.7 | -79.3 | -165.8 | 178.8 | -167.4 | 0 | 109.8 | Y1541 D1545 | Y1541-K1543 PolarHBondContact O-N 3.12Å; K1543-D1545 HydrophobicContact CB-CB 4.23Å; K1543-D1545 HydrophobicContact CD-CB 4.39Å; K1543-D1545 WeakPolarHBondContact CD-OD1 3.47Å; K1543-D1545 WeakPolarHBondContact CD-OD2 3.31Å; K1543-D1545 WeakPolarHBondContact CE-OD2 3.21Å; K1543-D1545 IonicContact NZ-OD1 3.21Å; K1543-D1545 IonicContact NZ-OD2 3.72Å; K1543-D1545 PolarHBondContact NZ-OD2 3.37Å; K1543-D1545 PolarHBondContact O-N 3.07Å | ||
| 1544 | Q | 35.1 | Very low | 52.3 | Low | 140 Ų | 140 | 80.9 Ų | 80.9 | 65% | 0.654 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -79.3 | 39.1 | 165.9 | -63.6 | -169.5 | -108.3 | 0 | 0 | 112.5 | A1546 | Q1544-A1546 PolarHBondContact O-N 3.37Š|
| 1545 | D | 29.2 | Very low | 49.2 | Very low | 117 Ų | 117 | 86.9 Ų | 86.9 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | trans | -77.8 | 58.9 | 163.5 | -67.6 | 3.1 | 0 | 0 | 0 | 107.5 | K1543 | K1543-D1545 HydrophobicContact CB-CB 4.23Å; K1543-D1545 HydrophobicContact CD-CB 4.39Å; K1543-D1545 WeakPolarHBondContact CD-OD1 3.47Å; K1543-D1545 WeakPolarHBondContact CD-OD2 3.31Å; K1543-D1545 WeakPolarHBondContact CE-OD2 3.21Å; K1543-D1545 IonicContact NZ-OD1 3.21Å; K1543-D1545 IonicContact NZ-OD2 3.72Å; K1543-D1545 PolarHBondContact NZ-OD2 3.37Å; K1543-D1545 PolarHBondContact O-N 3.07Å | ||
| 1546 | A | 26.1 | Very low | 46 | Very low | 75 Ų | 75 | 88.7 Ų | 88.7 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | trans | -119.9 | 38.1 | -159.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1544 | Q1544-A1546 PolarHBondContact O-N 3.37Š| ||
| 1547 | E | 24.7 | Very low | 42.8 | Very low | 164 Ų | 164 | 95 Ų | 95 | 77% | 0.766 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -142 | 130.9 | 156.8 | -123.1 | 166.5 | -144.6 | 0 | 0 | 111 | ||
| 1548 | Y | 28 | Very low | 39.7 | Very low | 167 Ų | 167 | 102.5 Ų | 102.5 | 66% | 0.655 | 57% | 0.566 | S | S | * | * | S | Bend | trans | 50.9 | 111.9 | -178.7 | -58.1 | -81.6 | 0 | 0 | 0 | 117.1 | ||
| 1549 | S | 24.4 | Very low | 36.5 | Very low | 55 Ų | 55 | 107.4 Ų | 107.4 | 39% | 0.385 | 60% | 0.601 | S | S | . | * | cis | -154.5 | 137.7 | 40.3 | -69.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1550 | T | 24.9 | Very low | 33.5 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 56% | 0.558 | 64% | 0.64 | S | S | * | * | trans | -140.8 | 99.3 | 139.9 | 35.3 | 0 | 0 | 0 | 0 | 111.7 | K1493 | K1493-T1550 HydrophobicContact CD-CG2 3.79Å; K1493-T1550 HydrophobicContact CG-CG2 4.47Å; K1493-T1550 VanDerWaalsContact NZ-CB 3.35Å; K1493-T1550 PolarHBondContact NZ-OG1 3.41Å | ||
| 1551 | S | 24.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 67% | 0.669 | S | S | * | * | trans | -13.4 | 131.4 | 157.5 | -38.9 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1552 | T | 25.1 | Very low | 28.2 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 70% | 0.696 | S | S | * | * | trans | -86.6 | 117.5 | 156.3 | -61.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1553 | L | 23.8 | Very low | 26.6 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -150.9 | 87.9 | 166.5 | -147.8 | 175 | 0 | 0 | 0 | 111.3 | ||||
| 1554 | I | 27.1 | Very low | 25.5 | Very low | 161 Ų | 161 | 131.8 Ų | 131.8 | 83% | 0.826 | 73% | 0.727 | S | S | * | * | trans | -159.3 | 125.2 | 144.6 | -95 | 150.1 | 0 | 0 | 0 | 104.8 | ||||
| 1555 | T | 24.7 | Very low | 25 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 77% | 0.773 | 73% | 0.727 | S | S | * | * | trans | -129.8 | 157.5 | -174.9 | -52.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1556 | A | 23.9 | Very low | 24.9 | Very low | 83 Ų | 83 | 130.1 Ų | 130.1 | 69% | 0.686 | 74% | 0.74 | S | S | * | * | trans | 70.9 | 86.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1557 | T | 24.3 | Very low | 24.8 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | 177.3 | 149.2 | 101.5 | 33.9 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 1558 | K | 25.4 | Very low | 24.8 | Very low | 182 Ų | 182 | 133.7 Ų | 133.7 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | cis | -156.2 | 143.8 | 25.1 | -137.8 | 164.7 | -172.1 | 171.3 | 0 | 111.5 | ||||
| 1559 | S | 25 | Very low | 24.5 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | trans | 44.4 | 123.4 | 146.2 | 60.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1560 | F | 23.3 | Very low | 24.4 | Very low | 204 Ų | 204 | 133.3 Ų | 133.3 | 90% | 0.895 | 77% | 0.765 | S | S | * | * | trans | -31.9 | 158.5 | 137.8 | -82.9 | -97.5 | 0 | 0 | 0 | 114.4 | ||||
| 1561 | S | 23.9 | Very low | 24.2 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | cis | -161.8 | 166.6 | 10 | 50.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1562 | K | 22.6 | Very low | 24.2 | Very low | 156 Ų | 156 | 136.9 Ų | 136.9 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -144.1 | 93.7 | 149.2 | -153 | -179.6 | -173.2 | -170 | 0 | 112.2 | N1398 | N1398-K1562 PolarHBondContact OD1-NZ 3.06Š| ||
| 1563 | Q | 22.8 | Very low | 24.1 | Very low | 175 Ų | 175 | 136.8 Ų | 136.8 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -102 | 155.1 | 154.1 | -87.3 | -171.5 | -19.7 | 0 | 0 | 108.9 | ||||
| 1564 | P | 26.9 | Very low | 24.1 | Very low | 127 Ų | 127 | 134.5 Ų | 134.5 | 83% | 0.825 | 76% | 0.763 | S | S | * | * | trans | -111.4 | 133.1 | 145.5 | 34 | -26.1 | 0 | 0 | 0 | 110.6 | ||||
| 1565 | S | 23.5 | Very low | 23.9 | Very low | 95 Ų | 95 | 135.5 Ų | 135.5 | 66% | 0.664 | 76% | 0.764 | S | S | * | * | trans | -96.5 | 160.7 | 177.7 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1566 | S | 27.1 | Very low | 23.8 | Very low | 127 Ų | 127 | 133.7 Ų | 133.7 | 89% | 0.888 | 76% | 0.756 | S | S | * | * | trans | -126.2 | 151.4 | 141.4 | 57.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1567 | Q | 24.2 | Very low | 23.8 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | trans | -122 | 162.2 | -171.9 | -60 | 170.3 | -35.6 | 0 | 0 | 109.7 | ||||
| 1568 | L | 24.2 | Very low | 23.9 | Very low | 150 Ų | 150 | 139.2 Ų | 139.2 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | -163.8 | 132.9 | 115.6 | -128.1 | 73.9 | 0 | 0 | 0 | 114.2 | |||||
| 1569 | T | 23.2 | Very low | 23.7 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | 51 | 117.4 | 145.2 | 46.9 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1570 | S | 21.8 | Very low | 23.7 | Very low | 102 Ų | 102 | 138 Ų | 138 | 71% | 0.713 | 77% | 0.768 | S | S | * | * | 99.4 | 119.9 | 114.8 | 69.4 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 1571 | M | 20.5 | Very low | 23.7 | Very low | 170 Ų | 170 | 136.1 Ų | 136.1 | 84% | 0.837 | 77% | 0.766 | S | S | * | * | trans | 90.1 | 127.1 | 133.7 | -79.6 | 177.3 | 70.8 | 0 | 0 | 122.3 | ||||
| 1572 | V | 25.1 | Very low | 23.9 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.655 | 77% | 0.774 | S | S | * | * | trans | 89.6 | 108.5 | 139.3 | 169.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1573 | D | 23.4 | Very low | 24.1 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | 69.9 | 123.4 | 136.4 | -58.5 | 0.4 | 0 | 0 | 0 | 125.4 | ||||
| 1574 | S | 22.4 | Very low | 24.1 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 77% | 0.767 | S | S | * | * | 83.2 | 129.6 | 127.6 | 69.6 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1575 | E | 23 | Very low | 24.1 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 61.5 | 151.4 | 140.7 | -67.5 | -175.3 | -166.9 | 0 | 0 | 121.3 | ||||
| 1576 | S | 23.1 | Very low | 24.2 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 62% | 0.615 | 77% | 0.771 | S | S | * | * | cis | -161.8 | 165.5 | -25.7 | 63.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1577 | K | 23.3 | Very low | 24.1 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | trans | 34.7 | 118 | 155 | -64 | 171.4 | -178.9 | 173.4 | 0 | 119.2 | ||||
| 1578 | V | 27.3 | Very low | 24.1 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 85% | 0.848 | 73% | 0.726 | S | S | * | * | -159.8 | 135.2 | 91 | 151.1 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1579 | S | 22.1 | Very low | 24.2 | Very low | 111 Ų | 111 | 126.4 Ų | 126.4 | 78% | 0.776 | 71% | 0.706 | S | S | * | * | trans | -115.6 | 133.9 | 169.5 | -47.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1580 | D | 24.2 | Very low | 24.3 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | trans | -174.9 | 157.8 | 150.8 | -107.9 | -27.3 | 0 | 0 | 0 | 112.4 | ||||
| 1581 | L | 24 | Very low | 24.5 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 85% | 0.853 | 70% | 0.701 | S | S | * | * | trans | 63.3 | 83.4 | 161.8 | -67.1 | 155.6 | 0 | 0 | 0 | 118.6 | ||||
| 1582 | Q | 27.3 | Very low | 24.6 | Very low | 195 Ų | 195 | 123.1 Ų | 123.1 | 91% | 0.911 | 68% | 0.681 | S | S | * | * | trans | -150.2 | 93.7 | 149.2 | -157.5 | 148.3 | 18.8 | 0 | 0 | 114 | ||||
| 1583 | C | 27.1 | Very low | 24.6 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 86% | 0.858 | 67% | 0.672 | S | S | * | * | trans | -173.9 | 70 | 153.7 | -98.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1584 | I | 23.5 | Very low | 24.7 | Very low | 94 Ų | 94 | 121.8 Ų | 121.8 | 48% | 0.482 | 68% | 0.679 | S | S | . | * | trans | -117.8 | 120 | 150.7 | -66.8 | 176.6 | 0 | 0 | 0 | 104.5 | ||||
| 1585 | D | 26.4 | Very low | 24.9 | Very low | 151 Ų | 151 | 123 Ų | 123 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | trans | -149.4 | 158.3 | 172.9 | -114.4 | -46.4 | 0 | 0 | 0 | 107.2 | ||||
| 1586 | C | 25.7 | Very low | 24.9 | Very low | 113 Ų | 113 | 120.8 Ų | 120.8 | 76% | 0.764 | 66% | 0.662 | S | S | * | * | trans | 76.9 | 80.7 | -174.9 | -54.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1587 | L | 23.8 | Very low | 25 | Very low | 56 Ų | 56 | 126.2 Ų | 126.2 | 29% | 0.293 | 68% | 0.675 | S | S | . | * | trans | -155.6 | 124.3 | 143.5 | -107.4 | 173.1 | 0 | 0 | 0 | 110 | L923 L924 F1041 | L923-L1587 HydrophobicContact CB-CD1 3.83Å; L923-L1587 HydrophobicContact CB-CD2 3.97Å; L923-L1587 HydrophobicContact CB-CG 4.45Å; L923-L1587 HydrophobicContact CD1-CD2 3.87Å; L924-L1587 HydrophobicContact CB-CD1 4.01Å; F1041-L1587 HydrophobicContact CE2-CD2 4.23Å | ||
| 1588 | L | 25.3 | Very low | 25 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 43% | 0.429 | 68% | 0.676 | S | S | . | * | trans | 69 | 153 | -178.1 | -42.9 | 172.7 | 0 | 0 | 0 | 113.9 | D798 I801 P920 | D798-L1588 HydrophobicContact CB-CB 4.26Å; D798-L1588 WeakPolarHBondContact OD1-CB 3.37Å; D798-L1588 VanDerWaalsContact OD1-CD1 3.3Å; D798-L1588 WeakPolarHBondContact OD1-CD1 3.3Å; I801-L1588 HydrophobicContact CD1-CD1 4.17Å; P920-L1588 HydrophobicContact CB-CD1 3.78Å; P920-L1588 HydrophobicContact CB-CD2 3.88Å; P920-L1588 HydrophobicContact CB-CG 4.09Å; P920-L1588 HydrophobicContact CG-CD1 4.08Å; P920-L1588 HydrophobicContact CG-CD2 3.67Å; P920-L1588 HydrophobicContact CG-CG 4.35Å | ||
| 1589 | H | 25.3 | Very low | 24.8 | Very low | 79 Ų | 79 | 128.7 Ų | 128.7 | 37% | 0.366 | 68% | 0.677 | S | S | . | * | cis | -143.8 | -175.8 | 0.3 | -158.6 | -140.7 | 0 | 0 | 0 | 105.8 | D798 | D798-H1589 VanDerWaalsContact CG-CB 3.49Å; D798-H1589 IonicContact OD1-CG 3.73Å; D798-H1589 WeakPolarHBondContact OD2-CB 3.44Å; D798-H1589 IonicContact OD2-CG 3.19Å; D798-H1589 IonicContact OD2-ND1 2.83Å | ||
| 1590 | E | 25.5 | Very low | 25 | Very low | 159 Ų | 159 | 130.1 Ų | 130.1 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | cis | -158.3 | 130.5 | 44.5 | -66.6 | -178.8 | 102.7 | 0 | 0 | 110.9 | ||||
| 1591 | S | 25.4 | Very low | 25.1 | Very low | 78 Ų | 78 | 132.7 Ų | 132.7 | 55% | 0.545 | 69% | 0.685 | S | S | . | * | trans | -155.5 | 19.9 | 167.2 | 59.8 | 0 | 0 | 0 | 0 | 116 | E1048 | E1048-S1591 WeakPolarHBondContact OE1-CB 3.19Å; E1048-S1591 PolarHBondContact OE1-OG 3.11Å | ||
| 1592 | L | 23.6 | Very low | 25.2 | Very low | 78 Ų | 78 | 127.5 Ų | 127.5 | 41% | 0.408 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -111 | 11.2 | 179.7 | -98.9 | 171.3 | 0 | 0 | 0 | 115.7 | L794 L912 L916 | L794-L1592 HydrophobicContact CD1-CD2 4.29Å; L912-L1592 HydrophobicContact CD1-CD1 3.6Å; L912-L1592 HydrophobicContact CD1-CD2 4.5Å; L916-L1592 HydrophobicContact CD2-CD1 4.16Å |
| 1593 | L | 24.9 | Very low | 25.1 | Very low | 92 Ų | 92 | 125.1 Ų | 125.1 | 48% | 0.482 | 66% | 0.664 | S | S | . | * | trans | -130.4 | 78.1 | -177.7 | -156.4 | 79.5 | 0 | 0 | 0 | 114.4 | N795 | N795-L1593 WeakPolarHBondContact OD1-CD1 3.45Å; N795-L1593 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 1594 | S | 25.9 | Very low | 25.2 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 86% | 0.86 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -141.9 | 13.4 | 166.6 | -77.9 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1595 | N | 25.3 | Very low | 25.3 | Very low | 127 Ų | 127 | 126.2 Ų | 126.2 | 68% | 0.679 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -121.7 | 15.2 | -179.3 | -90.8 | -39.7 | 0 | 0 | 0 | 115 | ||
| 1596 | Y | 24 | Very low | 25.5 | Very low | 137 Ų | 137 | 126.9 Ų | 126.9 | 54% | 0.537 | 67% | 0.672 | S | S | . | * | trans | -139.1 | 67.8 | 174.1 | -85.7 | -68.7 | 0 | 0 | 0 | 114.3 | K790 | K790-Y1596 WeakPolarHBondContact CD-OH 3.32Å; K790-Y1596 WeakPolarHBondContact CE-OH 3.43Å; K790-Y1596 HydrophobicContact CG-CE1 4.32Å; K790-Y1596 HydrophobicContact CG-CE2 4.5Å; K790-Y1596 VanDerWaalsContact CG-OH 3.32Å; K790-Y1596 WeakPolarHBondContact CG-OH 3.47Å; K790-Y1596 PolarHBondContact NZ-OH 3.45Å | ||
| 1597 | K | 24.7 | Very low | 25.5 | Very low | 202 Ų | 202 | 124.5 Ų | 124.5 | 88% | 0.878 | 67% | 0.667 | S | S | * | * | trans | -150.3 | 47.1 | 168.9 | -147 | 176 | -174.9 | 175.2 | 0 | 117.2 | ||||
| 1598 | E | 23.6 | Very low | 25.7 | Very low | 185 Ų | 185 | 128.5 Ų | 128.5 | 86% | 0.864 | 69% | 0.689 | S | S | * | * | trans | -159.7 | 108 | 156.9 | -122.3 | 167.5 | -144.9 | 0 | 0 | 112 | ||||
| 1599 | F | 23.1 | Very low | 25.9 | Very low | 200 Ų | 200 | 131.6 Ų | 131.6 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | trans | 176.3 | 53.8 | 138.8 | -115.2 | -79.4 | 0 | 0 | 0 | 114.4 | ||||
| 1600 | V | 26.5 | Very low | 26 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -139.6 | 78.7 | 160.5 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | ||
| 1601 | K | 26.2 | Very low | 26 | Very low | 205 Ų | 205 | 133.7 Ų | 133.7 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | trans | 165.8 | 82.8 | 141.7 | -93.2 | 174.5 | 179.5 | -176 | 0 | 111.6 | ||||
| 1602 | G | 25.8 | Very low | 25.9 | Very low | 53 Ų | 53 | 138.7 Ų | 138.7 | 55% | 0.546 | 74% | 0.739 | S | S | . | * | -87.7 | 160.7 | 128.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 1603 | D | 25.3 | Very low | 26.1 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | cis | -156.3 | -179.1 | -3 | -87.8 | -46.8 | 0 | 0 | 0 | 109 | ||||
| 1604 | N | 29.5 | Very low | 26.2 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 97.5 | 138.5 | 163 | -50.9 | -43.3 | 0 | 0 | 0 | 117.4 | ||||
| 1605 | S | 26.1 | Very low | 26.2 | Very low | 91 Ų | 91 | 145.7 Ų | 145.7 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | cis | -176.3 | 164.9 | -20.6 | 49.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1606 | L | 28.9 | Very low | 26.2 | Very low | 164 Ų | 164 | 145.3 Ų | 145.3 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | 73.2 | 140.8 | -171.6 | -66.3 | 68.3 | 0 | 0 | 0 | 112.1 | ||||
| 1607 | G | 27.6 | Very low | 26.2 | Very low | 64 Ų | 64 | 144.2 Ų | 144.2 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | cis | 132.7 | 148.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1608 | D | 26.8 | Very low | 26.1 | Very low | 140 Ų | 140 | 139.6 Ų | 139.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -148.3 | 171.3 | -4.6 | -72.8 | -48.5 | 0 | 0 | 0 | 107.8 | ||||
| 1609 | N | 29.3 | Very low | 26.1 | Very low | 147 Ų | 147 | 136 Ų | 136 | 79% | 0.786 | 74% | 0.74 | S | S | * | * | trans | 40.4 | 122.5 | 158.4 | -52.8 | -41.2 | 0 | 0 | 0 | 120.4 | ||||
| 1610 | D | 27.9 | Very low | 26.1 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 31 | 117.9 | 137.5 | -74.4 | 45.7 | 0 | 0 | 0 | 119.1 | ||||
| 1611 | N | 24.6 | Very low | 26.2 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 75% | 0.754 | 72% | 0.721 | S | S | * | * | cis | -160 | -146.9 | 15.1 | -99.8 | -57.9 | 0 | 0 | 0 | 108.7 | Q1613 | N1611-Q1613 PolarHBondContact O-N 3.21Š| ||
| 1612 | E | 24.2 | Very low | 26.1 | Very low | 183 Ų | 183 | 126.4 Ų | 126.4 | 86% | 0.855 | 70% | 0.698 | S | S | * | * | trans | -34.5 | 105.8 | 172.1 | -66.5 | -172.3 | 137.8 | 0 | 0 | 115.3 | ||||
| 1613 | Q | 28.1 | Very low | 25.9 | Very low | 167 Ų | 167 | 130.3 Ų | 130.3 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | -162.9 | 140.6 | 119.2 | -112.1 | 160 | 81.4 | 0 | 0 | 113.5 | N1611 | N1611-Q1613 PolarHBondContact O-N 3.21Š| |||
| 1614 | L | 27.6 | Very low | 25.8 | Very low | 134 Ų | 134 | 128.6 Ų | 128.6 | 70% | 0.702 | 70% | 0.7 | S | S | * | * | trans | 41.6 | 107.2 | 136.2 | -71.7 | 175.5 | 0 | 0 | 0 | 116.5 | ||||
| 1615 | L | 25.3 | Very low | 25.4 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 73% | 0.733 | 69% | 0.693 | S | S | * | * | 36.4 | 124.1 | 76.1 | -65.7 | 163.5 | 0 | 0 | 0 | 110.7 | |||||
| 1616 | N | 24 | Very low | 25.2 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 63% | 0.631 | 70% | 0.7 | S | S | * | * | 179.3 | -171.8 | 52.8 | -136.3 | -19.3 | 0 | 0 | 0 | 108.1 | |||||
| 1617 | I | 24.8 | Very low | 24.9 | Very low | 115 Ų | 115 | 129.4 Ų | 129.4 | 59% | 0.59 | 69% | 0.689 | S | S | * | * | trans | 36.1 | 117.6 | 136.8 | -60.8 | 162.2 | 0 | 0 | 0 | 116.5 | I1619 | I1617-I1619 HydrophobicContact CB-CD1 4.42Å; I1617-I1619 HydrophobicContact CG1-CD1 3.81Å; I1617-I1619 HydrophobicContact CG1-CG1 4.3Å; I1617-I1619 HydrophobicContact CG2-CD1 4.1Å; I1617-I1619 HydrophobicContact CG2-CG1 4.42Å | ||
| 1618 | S | 23 | Very low | 24.6 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | cis | -125.7 | 135.1 | 35.5 | -84.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1619 | I | 24.1 | Very low | 24.4 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 57% | 0.569 | 70% | 0.696 | S | S | * | * | 63.8 | 110.1 | 58.5 | -63.6 | -174.6 | 0 | 0 | 0 | 110.3 | I1617 | I1617-I1619 HydrophobicContact CB-CD1 4.42Å; I1617-I1619 HydrophobicContact CG1-CD1 3.81Å; I1617-I1619 HydrophobicContact CG1-CG1 4.3Å; I1617-I1619 HydrophobicContact CG2-CD1 4.1Å; I1617-I1619 HydrophobicContact CG2-CG1 4.42Å | |||
| 1620 | N | 23.3 | Very low | 24.1 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 59% | 0.588 | 70% | 0.704 | S | S | * | * | trans | 70.4 | 162.1 | 156.4 | -64.9 | 20.6 | 0 | 0 | 0 | 115.4 | D1622 | N1620-D1622 PolarHBondContact ND2-OD1 3.01Š| ||
| 1621 | Q | 27.5 | Very low | 24.2 | Very low | 157 Ų | 157 | 134.1 Ų | 134.1 | 73% | 0.734 | 70% | 0.697 | S | S | * | * | cis | -98.5 | 108.8 | 6.8 | -130.3 | 63.9 | 55.3 | 0 | 0 | 112.6 | ||||
| 1622 | D | 23.6 | Very low | 24.2 | Very low | 76 Ų | 76 | 137.7 Ų | 137.7 | 41% | 0.406 | 70% | 0.7 | S | S | . | * | 73.8 | 149 | 121.4 | -65.3 | 12 | 0 | 0 | 0 | 117 | N1620 | N1620-D1622 PolarHBondContact ND2-OD1 3.01Š| |||
| 1623 | L | 22.9 | Very low | 24.1 | Very low | 136 Ų | 136 | 134.8 Ų | 134.8 | 71% | 0.712 | 69% | 0.691 | S | S | * | * | 50.6 | 129.6 | 61.8 | -46.9 | 142.1 | 0 | 0 | 0 | 108.9 | |||||
| 1624 | T | 22.3 | Very low | 23.9 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | -163.1 | 120 | 62 | 32.3 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1625 | L | 21.5 | Very low | 23.8 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | 85.9 | 151.6 | 93.8 | -76 | 175.4 | 0 | 0 | 0 | 114 | |||||
| 1626 | R | 22.1 | Very low | 23.8 | Very low | 208 Ų | 208 | 131.9 Ų | 131.9 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | 65.2 | 97.8 | 142.7 | -75.9 | 163.4 | -170.3 | -106.6 | -1.5 | 118.3 | ||||
| 1627 | S | 21.8 | Very low | 24 | Very low | 91 Ų | 91 | 131.6 Ų | 131.6 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | 45.6 | 132.7 | 103.7 | 70.9 | 0 | 0 | 0 | 0 | 120 | |||||
| 1628 | L | 21.6 | Very low | 24.1 | Very low | 159 Ų | 159 | 131.3 Ų | 131.3 | 83% | 0.832 | 68% | 0.679 | S | S | * | * | trans | 70.9 | 144.9 | 143 | -90.9 | 163 | 0 | 0 | 0 | 118.2 | ||||
| 1629 | I | 22.2 | Very low | 24.2 | Very low | 138 Ų | 138 | 131.8 Ų | 131.8 | 71% | 0.708 | 67% | 0.674 | S | S | * | * | trans | 63.7 | 74.4 | 171.3 | -49.5 | 163.8 | 0 | 0 | 0 | 113 | ||||
| 1630 | Q | 23.4 | Very low | 24.2 | Very low | 205 Ų | 205 | 133.2 Ų | 133.2 | 96% | 0.958 | 68% | 0.682 | S | S | * | * | -80 | 100.2 | 122.1 | -170.2 | 174 | 32.5 | 0 | 0 | 107.5 | |||||
| 1631 | S | 31.2 | Very low | 24.1 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 68% | 0.684 | S | S | * | * | trans | -126.8 | 121.7 | 143.8 | 74.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1632 | R | 24.8 | Very low | 23.9 | Very low | 217 Ų | 217 | 130 Ų | 130 | 82% | 0.819 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 81.3 | 123.3 | 150.9 | -162.2 | 165.5 | -161.8 | 153.9 | 6.3 | 117.7 | ||
| 1633 | N | 22.2 | Very low | 24 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 65% | 0.652 | 70% | 0.702 | S | S | * | * | trans | 65.3 | 153.2 | 163.6 | -64.9 | 32.8 | 0 | 0 | 0 | 115.5 | ||||
| 1634 | D | 22.7 | Very low | 24 | Very low | 118 Ų | 118 | 131 Ų | 131 | 63% | 0.631 | 70% | 0.701 | S | S | * | * | cis | -157.1 | -172 | -22.5 | -99.9 | -23.2 | 0 | 0 | 0 | 106.5 | ||||
| 1635 | T | 26.6 | Very low | 24.3 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 68% | 0.681 | 71% | 0.705 | S | S | * | * | trans | 29.2 | 129.9 | 143.5 | 55 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1636 | E | 25.4 | Very low | 24.4 | Very low | 151 Ų | 151 | 131.8 Ų | 131.8 | 71% | 0.706 | 71% | 0.707 | S | S | * | * | cis | 177.4 | 178.7 | 6.2 | -126.1 | 173.7 | -161.7 | 0 | 0 | 107.3 | ||||
| 1637 | N | 26.5 | Very low | 24.5 | Very low | 112 Ų | 112 | 129.9 Ų | 129.9 | 60% | 0.599 | 71% | 0.705 | S | S | * | * | trans | 49.3 | 138 | 137.5 | -61.9 | -12.1 | 0 | 0 | 0 | 121.2 | ||||
| 1638 | N | 28.3 | Very low | 24.6 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 58% | 0.578 | 71% | 0.707 | S | S | * | * | cis | -163.8 | 149.9 | 6.6 | -115 | -11.7 | 0 | 0 | 0 | 111.3 | ||||
| 1639 | N | 25.5 | Very low | 24.9 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 61% | 0.61 | 71% | 0.705 | S | S | * | * | 49.6 | 121.3 | 127.5 | -56.2 | 1.1 | 0 | 0 | 0 | 118.4 | |||||
| 1640 | D | 22.7 | Very low | 25.1 | Very low | 141 Ų | 141 | 133.9 Ų | 133.9 | 75% | 0.754 | 70% | 0.703 | S | S | * | * | 77.8 | 150.3 | 96.3 | -67.2 | -40.7 | 0 | 0 | 0 | 115 | |||||
| 1641 | S | 22.4 | Very low | 25.1 | Very low | 89 Ų | 89 | 128.7 Ų | 128.7 | 62% | 0.622 | 69% | 0.689 | S | S | * | * | cis | -167.5 | 157.5 | -18.7 | 53.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1642 | S | 22.6 | Very low | 25.1 | Very low | 110 Ų | 110 | 129.4 Ų | 129.4 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | 64.4 | -167.4 | 154.4 | 80.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1643 | V | 25.3 | Very low | 25.2 | Very low | 122 Ų | 122 | 127.2 Ų | 127.2 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | trans | 70.5 | 94.4 | 177 | -165.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1644 | T | 22.9 | Very low | 25.1 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 69% | 0.693 | 70% | 0.697 | S | S | * | * | trans | 9.4 | 139.7 | 139.3 | 57.4 | 0 | 0 | 0 | 0 | 120 | ||||
| 1645 | P | 28.3 | Very low | 25.2 | Very low | 117 Ų | 117 | 128 Ų | 128 | 76% | 0.76 | 70% | 0.7 | S | S | * | * | -127.7 | 159.3 | 57.1 | 9.3 | 16 | 0 | 0 | 0 | 115 | |||||
| 1646 | L | 23.8 | Very low | 24.9 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | 51.7 | 115.1 | 81.6 | -79.7 | 84.8 | 0 | 0 | 0 | 114.1 | |||||
| 1647 | K | 24.3 | Very low | 24.9 | Very low | 168 Ų | 168 | 132 Ų | 132 | 73% | 0.73 | 71% | 0.708 | S | S | * | * | 63.1 | 138 | 89.9 | -72 | -179.6 | 172.3 | 177.7 | 0 | 113.5 | |||||
| 1648 | H | 24.9 | Very low | 24.7 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | cis | -164.4 | 143.4 | 2.8 | -123.2 | -45.5 | 0 | 0 | 0 | 108.8 | ||||
| 1649 | F | 26.1 | Very low | 24.5 | Very low | 181 Ų | 181 | 133.8 Ų | 133.8 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -144.8 | 107.7 | 137.8 | -113.9 | -81.8 | 0 | 0 | 0 | 111.1 | ||
| 1650 | Q | 26.9 | Very low | 24.4 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 67% | 0.668 | 72% | 0.72 | S | S | * | * | trans | 38.4 | 98.8 | 146.2 | -59.7 | 175.4 | -1.8 | 0 | 0 | 118.3 | ||||
| 1651 | S | 24.1 | Very low | 24.4 | Very low | 96 Ų | 96 | 130.7 Ų | 130.7 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | 89.7 | 151.4 | 58.5 | 74.5 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1652 | P | 30.6 | Very low | 24.5 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 68% | 0.675 | 72% | 0.721 | S | S | * | * | cis | -140.7 | 143.9 | 24.7 | 39.5 | -19.5 | 0 | 0 | 0 | 120 | ||||
| 1653 | K | 26.2 | Very low | 24.5 | Very low | 170 Ų | 170 | 134 Ų | 134 | 74% | 0.739 | 72% | 0.724 | S | S | * | * | 51.6 | 124.7 | 125.2 | -54.8 | 173.3 | -174.3 | 173.5 | 0 | 120.2 | I1655 | K1653-I1655 HydrophobicContact CB-CG1 4.2Å; K1653-I1655 HydrophobicContact CD-CD1 4.29Å | |||
| 1654 | S | 20.2 | Very low | 24.5 | Very low | 120 Ų | 120 | 134.4 Ų | 134.4 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -63.4 | 143.1 | 136.9 | 48.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1655 | I | 25 | Very low | 24.5 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 70% | 0.697 | 73% | 0.73 | S | S | * | * | trans | -134.2 | 146.9 | 163.2 | -61.9 | -175 | 0 | 0 | 0 | 109 | K1653 | K1653-I1655 HydrophobicContact CB-CG1 4.2Å; K1653-I1655 HydrophobicContact CD-CD1 4.29Å | ||
| 1656 | Y | 21.4 | Very low | 24.8 | Very low | 193 Ų | 193 | 133.4 Ų | 133.4 | 76% | 0.757 | 73% | 0.725 | S | S | * | * | trans | -40.3 | 160.9 | 166.1 | -74.4 | -105.4 | 0 | 0 | 0 | 113.4 | ||||
| 1657 | I | 25 | Very low | 24.7 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 73% | 0.728 | S | S | * | * | -150.6 | 127.8 | 54.5 | -74.2 | 173.6 | 0 | 0 | 0 | 113.2 | |||||
| 1658 | N | 22.5 | Very low | 24.7 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 58% | 0.583 | 73% | 0.727 | S | S | * | * | trans | 22.2 | 127.6 | 136.9 | -58.3 | 1.2 | 0 | 0 | 0 | 122.2 | ||||
| 1659 | N | 23.4 | Very low | 24.6 | Very low | 149 Ų | 149 | 131.9 Ų | 131.9 | 80% | 0.797 | 73% | 0.729 | S | S | * | * | 117.4 | 142 | 109.8 | -88.9 | 5 | 0 | 0 | 0 | 121.3 | |||||
| 1660 | A | 23.8 | Very low | 24.4 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 65% | 0.653 | 72% | 0.721 | S | S | * | * | trans | 58.9 | 120.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 1661 | S | 22.3 | Very low | 24.3 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | 57.7 | 133.3 | 58.2 | 89 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1662 | S | 24.3 | Very low | 24.2 | Very low | 92 Ų | 92 | 132.7 Ų | 132.7 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | cis | -175 | 160.1 | 47.2 | 48.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1663 | H | 23 | Very low | 23.9 | Very low | 178 Ų | 178 | 137.7 Ų | 137.7 | 82% | 0.824 | 75% | 0.745 | S | S | * | * | trans | 57.6 | 168.7 | 145.9 | -68.8 | -56.9 | 0 | 0 | 0 | 123.8 | ||||
| 1664 | T | 26.3 | Very low | 23.7 | Very low | 130 Ų | 130 | 137.2 Ų | 137.2 | 80% | 0.798 | 75% | 0.75 | S | S | * | * | trans | 71.9 | 75.9 | 167.3 | 51.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1665 | S | 21.9 | Very low | 23.8 | Very low | 108 Ų | 108 | 136 Ų | 136 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | -34.9 | 171.7 | 119.9 | 52.5 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1666 | P | 35.3 | Very low | 23.6 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | cis | -139.6 | -157.4 | -18.7 | 32 | -7.9 | 0 | 0 | 0 | 113 | ||||
| 1667 | D | 21.8 | Very low | 23.7 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | trans | 69.2 | 150.9 | 145.5 | -72 | -4.9 | 0 | 0 | 0 | 117.5 | ||||
| 1668 | V | 23.1 | Very low | 23.6 | Very low | 118 Ų | 118 | 129.3 Ų | 129.3 | 72% | 0.715 | 73% | 0.725 | S | S | * | * | cis | 175.7 | 161.1 | 7.1 | 128.3 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 1669 | H | 23.3 | Very low | 23.7 | Very low | 156 Ų | 156 | 131 Ų | 131 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | cis | -140.9 | 173.8 | 7 | -155.2 | -113 | 0 | 0 | 0 | 111.1 | ||||
| 1670 | I | 22.8 | Very low | 23.7 | Very low | 122 Ų | 122 | 129 Ų | 129 | 63% | 0.626 | 73% | 0.73 | S | S | * | * | trans | -53.2 | 142.4 | 171 | -59.4 | 157.5 | 0 | 0 | 0 | 113.7 | ||||
| 1671 | D | 23.7 | Very low | 23.7 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | -147.4 | 152.3 | 125 | -152 | 2.4 | 0 | 0 | 0 | 113.4 | |||||
| 1672 | M | 22.5 | Very low | 23.9 | Very low | 161 Ų | 161 | 125 Ų | 125 | 79% | 0.793 | 69% | 0.693 | S | S | * | * | trans | -99.7 | 133.9 | 179.3 | -59.6 | -173 | -165 | 0 | 0 | 111.8 | ||||
| 1673 | K | 24.2 | Very low | 24.1 | Very low | 209 Ų | 209 | 127.9 Ų | 127.9 | 91% | 0.909 | 70% | 0.699 | S | S | * | * | trans | -151.6 | 146.3 | 149.5 | -124.1 | 156.7 | -168.8 | 160.1 | 0 | 114.9 | ||||
| 1674 | L | 22.4 | Very low | 24.2 | Very low | 159 Ų | 159 | 122.6 Ų | 122.6 | 83% | 0.832 | 68% | 0.682 | S | S | * | * | trans | -83.4 | 162.3 | 172.9 | -75 | 141.9 | 0 | 0 | 0 | 110.9 | ||||
| 1675 | S | 21.5 | Very low | 24.4 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 66% | 0.657 | 68% | 0.683 | S | S | * | * | trans | 73.6 | 120.6 | 145.3 | 46.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1676 | I | 22.1 | Very low | 24.5 | Very low | 102 Ų | 102 | 124.9 Ų | 124.9 | 52% | 0.523 | 68% | 0.679 | S | S | . | * | 91.1 | 146.8 | 124.5 | -69.2 | 170.2 | 0 | 0 | 0 | 118.9 | Q724 | Q724-I1676 HydrophobicContact CG-CD1 4.11Š| |||
| 1677 | D | 23.2 | Very low | 24.2 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 72% | 0.717 | 68% | 0.683 | S | S | * | * | trans | 61.3 | 133.4 | 175.7 | -59.6 | -19.6 | 0 | 0 | 0 | 117.3 | ||||
| 1678 | T | 23.3 | Very low | 24.5 | Very low | 107 Ų | 107 | 126.9 Ų | 126.9 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | cis | 75.1 | 110 | 32.4 | 77.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1679 | N | 24.3 | Very low | 24.8 | Very low | 145 Ų | 145 | 126.4 Ų | 126.4 | 78% | 0.775 | 68% | 0.68 | S | S | * | * | -178.7 | 166.1 | 112.9 | -97.3 | -47.2 | 0 | 0 | 0 | 115.7 | |||||
| 1680 | C | 23.9 | Very low | 25.1 | Very low | 107 Ų | 107 | 124.4 Ų | 124.4 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | trans | 9.2 | 137.7 | 153 | -62 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1681 | S | 23 | Very low | 25.3 | Very low | 45 Ų | 45 | 125.8 Ų | 125.8 | 32% | 0.315 | 68% | 0.678 | S | S | . | * | cis | 94.8 | 137.3 | 49.4 | -158.7 | 0 | 0 | 0 | 0 | 113.2 | Y1697 | S1681-Y1697 WeakPolarHBondContact OG-CD1 3.43Å; S1681-Y1697 WeakPolarHBondContact OG-CE1 3.44Å | ||
| 1682 | N | 26.7 | Very low | 25.5 | Very low | 60 Ų | 60 | 124 Ų | 124 | 32% | 0.321 | 67% | 0.669 | S | S | . | * | trans | 85.1 | 104.4 | 159.6 | -57.5 | -9.3 | 0 | 0 | 0 | 121.2 | Q1698 S1699 | N1682-Q1698 HydrophobicContact CB-CG 4.1Å; N1682-Q1698 WeakPolarHBondContact OD1-CA 3.41Å; N1682-Q1698 WeakPolarHBondContact OD1-CB 3.44Å; N1682-Q1698 WeakPolarHBondContact OD1-CG 3.26Å; N1682-S1699 PolarHBondContact ND2-OG 3.24Å; N1682-S1699 VanDerWaalsContact ND2-OG 3.13Å | ||
| 1683 | I | 27.9 | Very low | 25.7 | Very low | 153 Ų | 153 | 126 Ų | 126 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | -178.5 | 148.2 | 104.9 | -91.6 | 167.6 | 0 | 0 | 0 | 112.9 | |||||
| 1684 | C | 25 | Very low | 25.6 | Very low | 67 Ų | 67 | 126 Ų | 126 | 45% | 0.453 | 67% | 0.668 | S | S | . | * | trans | -96.6 | 154.2 | -173.8 | -59.3 | 0 | 0 | 0 | 0 | 116.3 | Q1698 | C1684-Q1698 PolarHBondContact SG-OE1 2.9Š| ||
| 1685 | K | 30.1 | Very low | 25.6 | Very low | 187 Ų | 187 | 127.4 Ų | 127.4 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | 178.2 | 145.9 | 124.8 | -98.4 | 166.1 | -176.8 | -178.8 | 0 | 114.9 | |||||
| 1686 | S | 25.6 | Very low | 25.8 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 67% | 0.665 | S | S | * | * | trans | 13.7 | 150 | 142.5 | -55.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1687 | I | 28.9 | Very low | 25.9 | Very low | 142 Ų | 142 | 133 Ų | 133 | 73% | 0.728 | 67% | 0.667 | S | S | * | * | cis | -158.6 | 165.2 | 6.3 | -123.3 | 166.2 | 0 | 0 | 0 | 112.1 | ||||
| 1688 | H | 27.9 | Very low | 25.9 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 67% | 0.671 | 66% | 0.655 | S | S | * | * | trans | 7.7 | 123.7 | 171.5 | -66.8 | -88 | 0 | 0 | 0 | 119.3 | D1690 | H1688-D1690 IonicContact ND1-OD1 3.77Š| ||
| 1689 | S | 29.7 | Very low | 25.8 | Very low | 108 Ų | 108 | 129.4 Ų | 129.4 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | -136.9 | 127.4 | 62.7 | 45.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1690 | D | 27.7 | Very low | 25.7 | Very low | 114 Ų | 114 | 127.5 Ų | 127.5 | 61% | 0.61 | 65% | 0.645 | S | S | * | * | trans | 28 | 133.9 | 136.2 | -49.9 | -43 | 0 | 0 | 0 | 121.3 | H1688 | H1688-D1690 IonicContact ND1-OD1 3.77Š| ||
| 1691 | H | 28 | Very low | 25.7 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 70% | 0.699 | 65% | 0.647 | S | S | * | * | S | Bend | cis | -161.7 | 129.8 | -15 | -136.4 | 84.8 | 0 | 0 | 0 | 108.1 | ||
| 1692 | N | 27.6 | Very low | 25.8 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 62% | 0.62 | 67% | 0.67 | S | S | * | * | cis | -137.9 | -165.5 | -14.3 | -150.8 | -45.3 | 0 | 0 | 0 | 108.6 | ||||
| 1693 | R | 25.9 | Very low | 25.5 | Very low | 203 Ų | 203 | 136 Ų | 136 | 77% | 0.766 | 69% | 0.69 | S | S | * | * | trans | -141.1 | 159.8 | -170 | -62.5 | -177 | -177.7 | 169.1 | 2.5 | 115.1 | ||||
| 1694 | K | 23.2 | Very low | 25.4 | Very low | 210 Ų | 210 | 137.1 Ų | 137.1 | 91% | 0.913 | 69% | 0.692 | S | S | * | * | trans | -56 | 138.6 | 152.3 | -70.2 | 173.1 | 175.9 | 169.6 | 0 | 110.1 | ||||
| 1695 | W | 22.1 | Very low | 25.4 | Very low | 187 Ų | 187 | 139 Ų | 139 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | -127.6 | 159.7 | 165.6 | -77.7 | 81.4 | 0 | 0 | 0 | 110.9 | ||||
| 1696 | K | 25 | Very low | 25.1 | Very low | 169 Ų | 169 | 137 Ų | 137 | 74% | 0.735 | 70% | 0.698 | S | S | * | * | trans | -160 | 154.2 | -169.2 | -150.6 | -179 | -174.9 | -171.6 | 0 | 110.9 | ||||
| 1697 | Y | 24.2 | Very low | 25.2 | Very low | 145 Ų | 145 | 138.3 Ų | 138.3 | 57% | 0.569 | 70% | 0.697 | S | S | * | * | trans | 71.4 | 154.2 | -172.3 | -55.6 | -65.7 | 0 | 0 | 0 | 113.2 | S1681 | S1681-Y1697 WeakPolarHBondContact OG-CD1 3.43Å; S1681-Y1697 WeakPolarHBondContact OG-CE1 3.44Å | ||
| 1698 | Q | 23.9 | Very low | 25.1 | Very low | 95 Ų | 95 | 137.6 Ų | 137.6 | 44% | 0.444 | 70% | 0.695 | S | S | . | * | cis | -131.5 | -170.7 | 25.2 | -63.2 | -173.2 | -129.8 | 0 | 0 | 115.6 | N1682 C1684 | N1682-Q1698 HydrophobicContact CB-CG 4.1Å; N1682-Q1698 WeakPolarHBondContact OD1-CA 3.41Å; N1682-Q1698 WeakPolarHBondContact OD1-CB 3.44Å; N1682-Q1698 WeakPolarHBondContact OD1-CG 3.26Å; C1684-Q1698 PolarHBondContact SG-OE1 2.9Å | ||
| 1699 | S | 21.7 | Very low | 25 | Very low | 70 Ų | 70 | 136.3 Ų | 136.3 | 49% | 0.49 | 69% | 0.693 | S | S | . | * | trans | -98.7 | 161.5 | -179.8 | -30.7 | 0 | 0 | 0 | 0 | 115.3 | N1682 | N1682-S1699 PolarHBondContact ND2-OG 3.24Å; N1682-S1699 VanDerWaalsContact ND2-OG 3.13Å | ||
| 1700 | S | 22.8 | Very low | 25 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 74% | 0.741 | 69% | 0.69 | S | S | * | * | trans | 77.6 | 138.7 | 139.8 | 60.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1701 | T | 22.9 | Very low | 25 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 76% | 0.761 | 70% | 0.696 | S | S | * | * | trans | 98.5 | 138.7 | 146.1 | -2.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1702 | I | 24.5 | Very low | 25 | Very low | 157 Ų | 157 | 135.6 Ų | 135.6 | 81% | 0.805 | 69% | 0.69 | S | S | * | * | trans | 78.6 | 132.7 | 164.1 | -60.2 | 175.4 | 0 | 0 | 0 | 116.7 | ||||
| 1703 | C | 21.6 | Very low | 25 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 74% | 0.736 | 69% | 0.692 | S | S | * | * | trans | -104.4 | 172 | 174 | -56.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1704 | Q | 24.3 | Very low | 25.1 | Very low | 177 Ų | 177 | 134.3 Ų | 134.3 | 83% | 0.827 | 69% | 0.69 | S | S | * | * | trans | 71.3 | 140 | 170.2 | -57.3 | 177.4 | -39.1 | 0 | 0 | 113.7 | ||||
| 1705 | T | 25.2 | Very low | 25.2 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 65% | 0.65 | 67% | 0.674 | S | S | * | * | cis | -166.9 | 154.2 | -1.2 | 11.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1706 | I | 25 | Very low | 25.3 | Very low | 144 Ų | 144 | 127.3 Ų | 127.3 | 74% | 0.738 | 68% | 0.683 | S | S | * | * | trans | 62.2 | 125.2 | 144 | -64.7 | 164.7 | 0 | 0 | 0 | 115.5 | ||||
| 1707 | N | 27.5 | Very low | 25.4 | Very low | 127 Ų | 127 | 122.9 Ų | 122.9 | 68% | 0.679 | 69% | 0.685 | S | S | * | * | cis | -160.2 | 159.1 | 34.3 | -135.3 | -3 | 0 | 0 | 0 | 112.2 | ||||
| 1708 | N | 26.4 | Very low | 25.3 | Very low | 126 Ų | 126 | 125.6 Ų | 125.6 | 67% | 0.674 | 70% | 0.7 | S | S | * | * | 9.9 | 147 | 125 | -58.2 | 17.9 | 0 | 0 | 0 | 118.2 | |||||
| 1709 | N | 26.2 | Very low | 25.5 | Very low | 119 Ų | 119 | 126.7 Ų | 126.7 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | cis | -171 | 179.9 | 10.6 | -126 | 41 | 0 | 0 | 0 | 112.7 | ||||
| 1710 | D | 29 | Very low | 25.8 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 68% | 0.679 | 72% | 0.724 | S | S | * | * | trans | 72.8 | 116.3 | 149.7 | -61.2 | -21.1 | 0 | 0 | 0 | 119.5 | ||||
| 1711 | V | 27.8 | Very low | 25.9 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 75% | 0.745 | 73% | 0.728 | S | S | * | * | 81.7 | 128.4 | 92.6 | 168.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1712 | D | 28.1 | Very low | 25.9 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 58% | 0.578 | 72% | 0.721 | S | S | * | * | cis | -159.6 | 152.1 | 36.2 | -140.8 | -0.4 | 0 | 0 | 0 | 115.8 | ||||
| 1713 | K | 27.8 | Very low | 25.9 | Very low | 151 Ų | 151 | 129.4 Ų | 129.4 | 66% | 0.657 | 72% | 0.717 | S | S | * | * | trans | 55.8 | 155.4 | 131 | -93.6 | 179.9 | -149.9 | 76.7 | 0 | 127.5 | ||||
| 1714 | I | 28.8 | Very low | 26.1 | Very low | 140 Ų | 140 | 130.1 Ų | 130.1 | 72% | 0.718 | 71% | 0.714 | S | S | * | * | trans | 74.5 | 127.1 | 152 | -68.5 | 155.9 | 0 | 0 | 0 | 116.2 | ||||
| 1715 | S | 24 | Very low | 26.1 | Very low | 84 Ų | 84 | 132.4 Ų | 132.4 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | cis | 88.7 | 128.4 | 19.4 | 81.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1716 | D | 24.5 | Very low | 26.1 | Very low | 167 Ų | 167 | 133 Ų | 133 | 89% | 0.893 | 72% | 0.715 | S | S | * | * | cis | -165.5 | 166 | -12.8 | -97.3 | -43.3 | 0 | 0 | 0 | 108.5 | ||||
| 1717 | G | 27.4 | Very low | 26.3 | Very low | 75 Ų | 75 | 130.4 Ų | 130.4 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -176 | 125.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1718 | F | 22.3 | Very low | 26.2 | Very low | 203 Ų | 203 | 128.7 Ų | 128.7 | 89% | 0.89 | 69% | 0.693 | S | S | * | * | trans | -80.1 | 152.6 | 168.3 | -76 | -113.6 | 0 | 0 | 0 | 110.3 | ||||
| 1719 | T | 28.2 | Very low | 26.1 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | 179.7 | 150.1 | 83.6 | 30.1 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1720 | N | 27.8 | Very low | 26.1 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 71% | 0.709 | S | S | * | * | trans | 56.7 | 122.7 | 140.6 | -61.7 | -7.6 | 0 | 0 | 0 | 123.9 | ||||
| 1721 | L | 24.9 | Very low | 26 | Very low | 157 Ų | 157 | 136.2 Ų | 136.2 | 82% | 0.822 | 71% | 0.71 | S | S | * | * | trans | 64.9 | 149.3 | 138.4 | -86.4 | 77.3 | 0 | 0 | 0 | 119.5 | ||||
| 1722 | S | 23.5 | Very low | 25.7 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 72% | 0.716 | S | S | * | * | cis | -160.1 | 159.3 | -18.6 | -145 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1723 | N | 24.4 | Very low | 25.4 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 60.2 | 144.1 | 148.9 | -72.7 | 27.6 | 0 | 0 | 0 | 122.8 | ||||
| 1724 | D | 25.6 | Very low | 25.2 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 72% | 0.724 | S | S | * | * | trans | 92.7 | 72.7 | 151.7 | -56.1 | -18.1 | 0 | 0 | 0 | 120.5 | ||||
| 1725 | Y | 24.5 | Very low | 24.9 | Very low | 224 Ų | 224 | 136.9 Ų | 136.9 | 88% | 0.878 | 73% | 0.729 | S | S | * | * | trans | -150.5 | 118.8 | 146.1 | -85 | -70.5 | 0 | 0 | 0 | 111.6 | ||||
| 1726 | N | 25.2 | Very low | 25 | Very low | 118 Ų | 118 | 138.4 Ų | 138.4 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | -166.8 | -178.2 | 148.4 | -101.2 | -38.3 | 0 | 0 | 0 | 111.6 | T2102 | N1726-T2102 VanDerWaalsContact CB-OXT 3.31Å; N1726-T2102 WeakPolarHBondContact CB-OXT 3.39Å | ||
| 1727 | L | 28.1 | Very low | 25 | Very low | 90 Ų | 90 | 137 Ų | 137 | 47% | 0.471 | 73% | 0.728 | S | S | . | * | trans | 53.5 | 165.5 | -152 | -68.3 | -159.3 | 0 | 0 | 0 | 114.4 | F2101 T2102 | L1727-F2101 HydrophobicContact CB-CB 4.24Å; L1727-F2101 HydrophobicContact CB-CD1 3.44Å; L1727-F2101 VanDerWaalsContact CB-CD1 3.44Å; L1727-F2101 HydrophobicContact CB-CD2 4.4Å; L1727-F2101 HydrophobicContact CB-CE1 3.84Å; L1727-F2101 HydrophobicContact CB-CG 3.77Å; L1727-F2101 HydrophobicContact CB-CZ 4.48Å; L1727-F2101 HydrophobicContact CD1-CD2 4.12Å; L1727-F2101 HydrophobicContact CD1-CG 4.19Å; L1727-F2101 HydrophobicContact CG-CG 4.46Å; L1727-T2102 VanDerWaalsContact CD2-OXT 3.28Å; L1727-T2102 WeakPolarHBondContact CD2-OXT 3.38Å; L1727-T2102 VanDerWaalsContact CG-OXT 3.32Å; L1727-T2102 WeakPolarHBondContact CG-OXT 3.49Å; L1727-T2102 PolarHBondContact N-OXT 3.27Å | ||
| 1728 | L | 26 | Very low | 24.9 | Very low | 91 Ų | 91 | 141.1 Ų | 141.1 | 48% | 0.476 | 73% | 0.727 | S | S | . | * | S | Bend | cis | -119.4 | 169.9 | -10.9 | -128.9 | -172.3 | 0 | 0 | 0 | 109.5 | K1730 F2101 | L1728-K1730 PolarHBondContact O-N 2.8Å; L1728-F2101 HydrophobicContact CB-CE1 3.82Å; L1728-F2101 HydrophobicContact CB-CZ 3.77Å; L1728-F2101 HydrophobicContact CD1-CE2 4.02Å; L1728-F2101 HydrophobicContact CD1-CZ 3.75Å; L1728-F2101 HydrophobicContact CG-CE1 4.33Å; L1728-F2101 HydrophobicContact CG-CE2 4.33Å; L1728-F2101 HydrophobicContact CG-CZ 3.92Å |
| 1729 | Y | 24.3 | Very low | 24.9 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 84% | 0.839 | 72% | 0.722 | S | S | * | * | trans | 48.6 | 61 | 165.1 | -77.4 | -65.7 | 0 | 0 | 0 | 116.6 | ||||
| 1730 | K | 25.6 | Very low | 24.7 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 80% | 0.804 | 73% | 0.726 | S | S | * | * | trans | -115.5 | 134.4 | 150.1 | -100.1 | 179.3 | 179.3 | 169.4 | 0 | 112.1 | L1728 | L1728-K1730 PolarHBondContact O-N 2.8Š| ||
| 1731 | N | 26.8 | Very low | 24.5 | Very low | 131 Ų | 131 | 143.5 Ų | 143.5 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | trans | 64 | 80.7 | 148 | -54.4 | -6.6 | 0 | 0 | 0 | 119.2 | S1733 | N1731-S1733 VanDerWaalsContact C-N 3.26Å; N1731-S1733 PolarHBondContact O-N 2.98Å | ||
| 1732 | R | 21.9 | Very low | 24.4 | Very low | 234 Ų | 234 | 142.6 Ų | 142.6 | 88% | 0.883 | 72% | 0.717 | S | S | * | * | S | Bend | -72.1 | 86.9 | 127.7 | -93.2 | -168.5 | 172.4 | -164.9 | -1.8 | 108.6 | |||
| 1733 | S | 22.1 | Very low | 24.4 | Very low | 95 Ų | 95 | 146.5 Ų | 146.5 | 66% | 0.664 | 73% | 0.73 | S | S | * | * | trans | 162.1 | 143.5 | 145.3 | 59.1 | 0 | 0 | 0 | 0 | 115.4 | N1731 | N1731-S1733 VanDerWaalsContact C-N 3.26Å; N1731-S1733 PolarHBondContact O-N 2.98Å | ||
| 1734 | A | 23.2 | Very low | 24.3 | Very low | 88 Ų | 88 | 148.7 Ų | 148.7 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | trans | 77.7 | 130.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1735 | S | 22.5 | Very low | 24.3 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | trans | 62.8 | 154 | 175.2 | 69.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1736 | T | 26.9 | Very low | 24.1 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | cis | -105.7 | 169.7 | -2.3 | 51.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1737 | N | 24 | Very low | 24.1 | Very low | 138 Ų | 138 | 143.5 Ų | 143.5 | 74% | 0.738 | 73% | 0.729 | S | S | * | * | cis | 64.8 | 48.9 | 40.3 | -120.2 | 38.1 | 0 | 0 | 0 | 115.2 | ||||
| 1738 | E | 25.4 | Very low | 23.9 | Very low | 161 Ų | 161 | 144.5 Ų | 144.5 | 75% | 0.752 | 74% | 0.743 | S | S | * | * | trans | -135.5 | 70.1 | 160.8 | -150.9 | 169.4 | -109.2 | 0 | 0 | 113.6 | ||||
| 1739 | R | 22.4 | Very low | 23.8 | Very low | 211 Ų | 211 | 143.8 Ų | 143.8 | 80% | 0.796 | 75% | 0.751 | S | S | * | * | trans | -98.6 | 84.1 | 148.1 | -87.8 | -166.8 | -179.1 | 178.5 | 5 | 108.1 | ||||
| 1740 | Q | 23.9 | Very low | 23.7 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | 178 | 68.4 | 145.8 | -101.9 | 166.9 | -42.4 | 0 | 0 | 113.5 | ||||
| 1741 | C | 23.5 | Very low | 23.7 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -117.3 | 56.1 | 152 | -96.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1742 | R | 21.9 | Very low | 23.6 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 52% | 0.521 | 75% | 0.754 | S | S | . | * | trans | -132.1 | 117 | 139.9 | -89 | -169.2 | -178.7 | 163 | -6.6 | 107.9 | S2069 I2070 | R1742-S2069 PolarHBondContact NH2-O 3.26Å; R1742-S2069 PolarHBondContact NH2-OG 2.85Å; R1742-I2070 VanDerWaalsContact CZ-O 3.24Å; R1742-I2070 PolarHBondContact NH1-O 3.26Å; R1742-I2070 PolarHBondContact NH2-O 3.41Å | ||
| 1743 | L | 23.7 | Very low | 23.7 | Very low | 170 Ų | 170 | 129.8 Ų | 129.8 | 89% | 0.89 | 75% | 0.747 | S | S | * | * | -146.1 | 155.6 | 106.5 | -98.6 | 162.4 | 0 | 0 | 0 | 108 | |||||
| 1744 | F | 23.2 | Very low | 23.9 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | -72.9 | 147.6 | 166.6 | -105.2 | -106.8 | 0 | 0 | 0 | 109.2 | ||||
| 1745 | I | 24.2 | Very low | 23.9 | Very low | 154 Ų | 154 | 134.7 Ų | 134.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | -127.5 | 135 | 149.2 | -66.5 | 179.8 | 0 | 0 | 0 | 104.6 | A1747 | I1745-A1747 HydrophobicContact CG2-CB 3.8Š| ||
| 1746 | D | 21.4 | Very low | 24 | Very low | 134 Ų | 134 | 135.7 Ų | 135.7 | 72% | 0.717 | 75% | 0.749 | S | S | * | * | cis | 26.7 | 96.1 | -21.8 | -69.9 | 14.5 | 0 | 0 | 0 | 118.5 | ||||
| 1747 | A | 24.9 | Very low | 23.8 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 58% | 0.579 | 75% | 0.752 | S | S | * | * | cis | 59 | 141.1 | 30.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1745 | I1745-A1747 HydrophobicContact CG2-CB 3.8Š| ||
| 1748 | S | 24.3 | Very low | 23.7 | Very low | 110 Ų | 110 | 140 Ų | 140 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | cis | -158.1 | 164.9 | -1.8 | 55.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1749 | A | 24 | Very low | 23.5 | Very low | 76 Ų | 76 | 140.1 Ų | 140.1 | 63% | 0.628 | 75% | 0.754 | S | S | * | * | trans | 50.7 | 102.3 | 148.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | T1751 | A1749-T1751 HydrophobicContact CB-CG2 4.4Š| ||
| 1750 | C | 23.2 | Very low | 24 | Very low | 127 Ų | 127 | 134.6 Ų | 134.6 | 86% | 0.858 | 75% | 0.746 | S | S | * | * | -124.5 | 86.7 | 118.2 | -79.1 | 0 | 0 | 0 | 0 | 106.7 | |||||
| 1751 | T | 24 | Very low | 23.9 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | 77.7 | 136.1 | 87.2 | 54.3 | 0 | 0 | 0 | 0 | 113.7 | A1749 | A1749-T1751 HydrophobicContact CB-CG2 4.4Š| |||
| 1752 | G | 25.3 | Very low | 23.9 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 74% | 0.735 | S | S | * | * | trans | 115.2 | 82.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1753 | N | 23.2 | Very low | 23.9 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 75% | 0.754 | 74% | 0.739 | S | S | * | * | trans | -53.9 | 152.4 | 172.3 | -52 | -16 | 0 | 0 | 0 | 113 | ||||
| 1754 | N | 27.6 | Very low | 24 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 73% | 0.727 | S | S | * | * | -172 | 105.3 | 110.7 | -90.6 | -22.6 | 0 | 0 | 0 | 113.5 | |||||
| 1755 | N | 23.6 | Very low | 24.1 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 17.8 | 151 | 134.8 | -64.1 | 2.9 | 0 | 0 | 0 | 122.7 | ||||
| 1756 | I | 23.9 | Very low | 24.1 | Very low | 139 Ų | 139 | 123.7 Ų | 123.7 | 71% | 0.713 | 70% | 0.701 | S | S | * | * | trans | 104.9 | 107.4 | 133.8 | -89.9 | 161.4 | 0 | 0 | 0 | 119.8 | ||||
| 1757 | Y | 22.6 | Very low | 24.3 | Very low | 197 Ų | 197 | 122.3 Ų | 122.3 | 77% | 0.773 | 69% | 0.693 | S | S | * | * | trans | 64.7 | 143.8 | 146.7 | -74.2 | -70.1 | 0 | 0 | 0 | 125 | ||||
| 1758 | D | 21.3 | Very low | 24.2 | Very low | 147 Ų | 147 | 123.9 Ų | 123.9 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | 79.1 | 128.8 | 148.2 | -60.3 | -17.5 | 0 | 0 | 0 | 124 | ||||
| 1759 | E | 22.4 | Very low | 24.2 | Very low | 164 Ų | 164 | 120.8 Ų | 120.8 | 77% | 0.766 | 67% | 0.673 | S | S | * | * | trans | -73.9 | 177.2 | 156 | -120.9 | -136 | 120.5 | 0 | 0 | 110.3 | ||||
| 1760 | P | 32.2 | Very low | 24.1 | Very low | 96 Ų | 96 | 122 Ų | 122 | 62% | 0.623 | 67% | 0.666 | S | S | * | * | cis | -134.9 | -170.9 | 3.7 | 37.1 | -16.8 | 0 | 0 | 0 | 115.3 | ||||
| 1761 | S | 22.9 | Very low | 24.1 | Very low | 92 Ų | 92 | 117.2 Ų | 117.2 | 64% | 0.643 | 63% | 0.634 | S | S | * | * | trans | 113.3 | 110 | 137.4 | 79.7 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1762 | I | 22.1 | Very low | 24 | Very low | 144 Ų | 144 | 117.6 Ų | 117.6 | 74% | 0.738 | 63% | 0.625 | S | S | * | * | 63.4 | 91.6 | 121.4 | -59.2 | 170.4 | 0 | 0 | 0 | 118.4 | |||||
| 1763 | S | 22 | Very low | 24 | Very low | 87 Ų | 87 | 120.5 Ų | 120.5 | 61% | 0.608 | 62% | 0.622 | S | S | * | * | 138 | 155 | 100.5 | 68.7 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1764 | K | 25.1 | Very low | 23.9 | Very low | 146 Ų | 146 | 117.5 Ų | 117.5 | 64% | 0.635 | 61% | 0.612 | S | S | * | * | trans | 75.7 | 88.7 | 158.1 | -66.2 | 165 | -175.3 | 166.8 | 0 | 119.5 | ||||
| 1765 | Y | 26.8 | Very low | 23.7 | Very low | 204 Ų | 204 | 116.2 Ų | 116.2 | 80% | 0.8 | 61% | 0.61 | S | S | * | * | 178.5 | 128.4 | 108.5 | -86.6 | -70 | 0 | 0 | 0 | 105.5 | |||||
| 1766 | S | 24.2 | Very low | 23.6 | Very low | 34 Ų | 34 | 115.4 Ų | 115.4 | 24% | 0.238 | 62% | 0.615 | C | S | . | * | cis | 72.1 | 82.2 | 28 | -151.3 | 0 | 0 | 0 | 0 | 114.7 | P866 Y867 | P866-S1766 WeakPolarHBondContact O-CA 3.44Å; P866-S1766 PolarHBondContact O-OG 2.94Å; Y867-S1766 VanDerWaalsContact CE2-CB 3.48Å; Y867-S1766 WeakPolarHBondContact CE2-OG 3.33Å; Y867-S1766 VanDerWaalsContact CZ-CB 3.49Å | ||
| 1767 | L | 24.2 | Very low | 23.6 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 55% | 0.55 | 62% | 0.619 | S | S | . | * | trans | -71.2 | 162.5 | 157 | -67.2 | 61.6 | 0 | 0 | 0 | 109.7 | S865 P866 | S865-L1767 WeakPolarHBondContact CA-O 3.21Å; S865-L1767 WeakPolarHBondContact CB-O 3.18Å; S865-L1767 PolarHBondContact OG-O 3.02Å; P866-L1767 VanDerWaalsContact CD-O 3.25Å; P866-L1767 WeakPolarHBondContact CD-O 3.43Å; P866-L1767 HydrophobicContact CG-CB 4.03Å; P866-L1767 HydrophobicContact CG-CD1 3.9Å; P866-L1767 HydrophobicContact CG-CG 4.41Å | ||
| 1768 | C | 23.5 | Very low | 23.7 | Very low | 104 Ų | 104 | 114.8 Ų | 114.8 | 70% | 0.703 | 62% | 0.617 | S | S | * | * | trans | -159.3 | 116.7 | 148.2 | -157.2 | 0 | 0 | 0 | 0 | 107.5 | S865 | S865-C1768 WeakPolarHBondContact CB-SG 3.49Š| ||
| 1769 | N | 24 | Very low | 23.7 | Very low | 45 Ų | 45 | 112.1 Ų | 112.1 | 24% | 0.241 | 60% | 0.6 | C | S | . | * | cis | 74.8 | 89.1 | 32 | -74.4 | 5 | 0 | 0 | 0 | 116.9 | C862 Q863 W864 | C862-N1769 PolarHBondContact O-ND2 3.28Å; Q863-N1769 HydrophobicContact CG-CB 4.22Å; Q863-N1769 CarbonylContact O-C 3.5Å; W864-N1769 PolarHBondContact O-ND2 3.47Å | ||
| 1770 | E | 22.3 | Very low | 23.8 | Very low | 102 Ų | 102 | 112.9 Ų | 112.9 | 48% | 0.477 | 60% | 0.6 | S | S | . | * | -156.1 | 156.4 | 119.2 | -165.5 | 153.2 | -152.2 | 0 | 0 | 113.1 | Q863 W864 F1772 | Q863-E1770 VanDerWaalsContact CD-C 3.44Å; Q863-E1770 PolarHBondContact NE2-O 2.82Å; Q863-E1770 WeakPolarHBondContact O-CA 3.31Å; Q863-E1770 WeakPolarHBondContact O-CB 3.42Å; Q863-E1770 WeakPolarHBondContact O-CG 3.37Å; W864-E1770 VanDerWaalsContact CD1-CD 3.49Å; W864-E1770 PolarHBondContact NE1-OE1 2.97Å; W864-E1770 PolarHBondContact NE1-OE2 3.19Å; E1770-F1772 HydrophobicContact CG-CD2 4.17Å; E1770-F1772 HydrophobicContact CG-CE2 4.49Å | |||
| 1771 | S | 23.7 | Very low | 23.6 | Very low | 25 Ų | 25 | 111.3 Ų | 111.3 | 18% | 0.175 | 59% | 0.592 | C | S | . | * | trans | -77.1 | 177.8 | 174 | 36.4 | 0 | 0 | 0 | 0 | 112.5 | E860 | E860-S1771 PolarHBondContact O-OG 3.23Å; E860-S1771 VanDerWaalsContact O-OG 3.11Å | ||
| 1772 | F | 21.8 | Very low | 23.9 | Very low | 137 Ų | 137 | 110.2 Ų | 110.2 | 60% | 0.601 | 60% | 0.595 | S | S | * | * | 154.8 | 154 | 119.7 | -101.7 | -72.1 | 0 | 0 | 0 | 116.2 | E1770 | E1770-F1772 HydrophobicContact CG-CD2 4.17Å; E1770-F1772 HydrophobicContact CG-CE2 4.49Å | |||
| 1773 | L | 24 | Very low | 24.1 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 70% | 0.702 | 61% | 0.606 | S | S | * | * | trans | 74.6 | 89.3 | 149.8 | -69.3 | 166 | 0 | 0 | 0 | 119.8 | ||||
| 1774 | S | 21.6 | Very low | 24.3 | Very low | 78 Ų | 78 | 119.1 Ų | 119.1 | 55% | 0.545 | 62% | 0.616 | S | S | . | * | 44.6 | 133.7 | 103.1 | 76 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1775 | T | 22.7 | Very low | 24.3 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 77% | 0.773 | 62% | 0.623 | S | S | * | * | trans | 77.6 | 142.1 | 133.8 | 55.9 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1776 | S | 22.4 | Very low | 24.3 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 82% | 0.818 | 63% | 0.63 | S | S | * | * | trans | 94.1 | 132.3 | 147.1 | 76 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1777 | K | 24.2 | Very low | 24.3 | Very low | 185 Ų | 185 | 122.7 Ų | 122.7 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | trans | -69 | 152.8 | 164.2 | -82.4 | 175.5 | 173.1 | 169.3 | 0 | 109.4 | ||||
| 1778 | L | 23.3 | Very low | 24.4 | Very low | 138 Ų | 138 | 123.1 Ų | 123.1 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | trans | 63.2 | 110.9 | 150.8 | -98.9 | 67.1 | 0 | 0 | 0 | 113.8 | ||||
| 1779 | E | 22.3 | Very low | 24.5 | Very low | 92 Ų | 92 | 127.5 Ų | 127.5 | 43% | 0.43 | 67% | 0.671 | S | S | . | * | 167.4 | -173 | 58.1 | -92.2 | 171.9 | 156.9 | 0 | 0 | 114.3 | C198 A199 A200 | C198-E1779 HydrophobicContact CB-CB 3.52Å; C198-E1779 HydrophobicContact CB-CG 3.45Å; C198-E1779 VanDerWaalsContact CB-CG 3.45Å; C198-E1779 VanDerWaalsContact SG-CG 3.58Å; A199-E1779 VanDerWaalsContact C-OE2 3.29Å; A199-E1779 VanDerWaalsContact CA-CD 3.42Å; A199-E1779 WeakPolarHBondContact CA-OE2 3.47Å; A199-E1779 HydrophobicContact CB-CB 3.47Å; A199-E1779 VanDerWaalsContact CB-CB 3.47Å; A199-E1779 HydrophobicContact CB-CG 4.04Å; A200-E1779 WeakPolarHBondContact CB-OE2 3.08Å; A200-E1779 PolarHBondContact N-OE2 3.33Å | |||
| 1780 | K | 25.4 | Very low | 24.6 | Very low | 180 Ų | 180 | 130.8 Ų | 130.8 | 78% | 0.783 | 69% | 0.693 | S | S | * | * | trans | -147.2 | 92.3 | 168.4 | -73.2 | -174.2 | 175.4 | 178.9 | 0 | 117.6 | C198 A199 | C198-K1780 PolarHBondContact SG-N 3.22Å; A199-K1780 VanDerWaalsContact CB-C 3.41Å | ||
| 1781 | S | 27.5 | Very low | 24.9 | Very low | 63 Ų | 63 | 132 Ų | 132 | 44% | 0.441 | 71% | 0.708 | S | S | . | * | trans | -151.3 | 77.2 | 167 | 87.5 | 0 | 0 | 0 | 0 | 114.8 | C198 A199 | C198-S1781 WeakPolarHBondContact O-CB 3.42Å; A199-S1781 VanDerWaalsContact CA-OG 3.28Å; A199-S1781 WeakPolarHBondContact CA-OG 3.28Å; A199-S1781 VanDerWaalsContact CB-CB 3.46Å; A199-S1781 WeakPolarHBondContact CB-OG 3.41Å; A199-S1781 VanDerWaalsContact N-CB 3.25Å; A199-S1781 PolarHBondContact N-OG 3.39Å; A199-S1781 PolarHBondContact O-OG 3.19Å | ||
| 1782 | G | 28.6 | Very low | 25 | Very low | 69 Ų | 69 | 137 Ų | 137 | 71% | 0.711 | 73% | 0.731 | S | S | * | * | trans | 76.1 | 83.3 | 131.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | R1784 | G1782-R1784 PolarHBondContact O-N 3.02Š| ||
| 1783 | M | 25.5 | Very low | 25.2 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 96% | 0.961 | 74% | 0.742 | S | S | * | * | trans | -45.2 | 126.8 | 146.2 | -77.2 | 176.6 | 61 | 0 | 0 | 109.9 | ||||
| 1784 | R | 27.4 | Very low | 25.4 | Very low | 222 Ų | 222 | 141 Ų | 141 | 84% | 0.838 | 74% | 0.741 | S | S | * | * | trans | -85.2 | 127 | 170.9 | -93.4 | -176.4 | 171.5 | 179.8 | 0.3 | 110.5 | G1782 | G1782-R1784 PolarHBondContact O-N 3.02Š| ||
| 1785 | K | 25.4 | Very low | 25.6 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 77% | 0.765 | 75% | 0.748 | S | S | * | * | trans | 59 | 116.4 | 148.8 | -57.2 | 178.6 | 177.4 | -173.9 | 0 | 117.7 | ||||
| 1786 | L | 25.3 | Very low | 25.7 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 95% | 0.948 | 74% | 0.744 | S | S | * | * | -135.4 | 163 | 98.6 | -102 | 166.1 | 0 | 0 | 0 | 108.9 | |||||
| 1787 | S | 24.4 | Very low | 26 | Very low | 103 Ų | 103 | 146.4 Ų | 146.4 | 72% | 0.72 | 74% | 0.735 | S | S | * | * | trans | -110.3 | 158.5 | -170.2 | -82 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1788 | P | 27.5 | Very low | 26.1 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -75.3 | 155.6 | -176.4 | 31.5 | -36.7 | 0 | 0 | 0 | 113.4 | ||||
| 1789 | H | 24.6 | Very low | 26.3 | Very low | 196 Ų | 196 | 144.9 Ų | 144.9 | 91% | 0.907 | 73% | 0.732 | S | S | * | * | trans | -60.6 | 150.4 | 171.8 | -82.3 | -95.5 | 0 | 0 | 0 | 112.7 | ||||
| 1790 | T | 26.3 | Very low | 26.7 | Very low | 114 Ų | 114 | 147 Ų | 147 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -139.4 | 105.3 | 175.9 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1791 | T | 28.4 | Very low | 27.1 | Very low | 128 Ų | 128 | 144.5 Ų | 144.5 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 174.7 | 112.1 | 151.3 | 32.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 1792 | I | 25.6 | Very low | 27.3 | Very low | 130 Ų | 130 | 148 Ų | 148 | 67% | 0.667 | 75% | 0.753 | S | S | * | * | 67 | 95.2 | 66.3 | -56 | 165.8 | 0 | 0 | 0 | 112.1 | |||||
| 1793 | Y | 27.3 | Very low | 27.4 | Very low | 210 Ų | 210 | 150.5 Ų | 150.5 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | -168.6 | -176.7 | 118.2 | -108.6 | -69.4 | 0 | 0 | 0 | 111.3 | |||||
| 1794 | Q | 26.8 | Very low | 27.5 | Very low | 145 Ų | 145 | 152.4 Ų | 152.4 | 68% | 0.678 | 75% | 0.746 | S | S | * | * | trans | -121.6 | 168.4 | -158.5 | -58.4 | 163.1 | -102.4 | 0 | 0 | 114.7 | ||||
| 1795 | H | 27.4 | Very low | 27.7 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 68.9 | 124.1 | 163.8 | -68.8 | -68.8 | 0 | 0 | 0 | 116.8 | ||||
| 1796 | H | 24.9 | Very low | 27.8 | Very low | 149 Ų | 149 | 143.2 Ų | 143.2 | 69% | 0.69 | 74% | 0.739 | S | S | * | * | 65.1 | 135.5 | 75.4 | -79.5 | -119.9 | 0 | 0 | 0 | 112.9 | |||||
| 1797 | H | 28 | Very low | 27.9 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 63% | 0.625 | 74% | 0.738 | S | S | * | * | cis | -164.7 | 150.1 | 28.4 | -130.7 | -39.3 | 0 | 0 | 0 | 114 | ||||
| 1798 | K | 26.3 | Very low | 27.9 | Very low | 172 Ų | 172 | 146.1 Ų | 146.1 | 75% | 0.748 | 73% | 0.734 | S | S | * | * | trans | 64.6 | 159.3 | 153.8 | -75.4 | 165.9 | -179.8 | 176 | 0 | 116.2 | ||||
| 1799 | T | 28 | Very low | 27.9 | Very low | 118 Ų | 118 | 147.4 Ų | 147.4 | 72% | 0.724 | 73% | 0.73 | S | S | * | * | cis | -151.4 | 173.9 | -1.1 | -3.9 | 0 | 0 | 0 | 0 | 107 | ||||
| 1800 | N | 30 | Very low | 28 | Very low | 136 Ų | 136 | 144.4 Ų | 144.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | cis | -143.1 | -144.1 | 4.4 | -144.9 | -10.7 | 0 | 0 | 0 | 107.5 | ||||
| 1801 | I | 33.1 | Very low | 28 | Very low | 128 Ų | 128 | 144.4 Ų | 144.4 | 66% | 0.656 | 72% | 0.721 | S | S | * | * | cis | -148.3 | 138.4 | -4.5 | -139.2 | 151.5 | 0 | 0 | 0 | 107.5 | ||||
| 1802 | I | 32.4 | Very low | 27.9 | Very low | 137 Ų | 137 | 147 Ų | 147 | 70% | 0.703 | 72% | 0.721 | S | S | * | * | trans | 46.7 | 131.7 | 148 | -61.9 | 172.9 | 0 | 0 | 0 | 119.3 | ||||
| 1803 | N | 30.8 | Very low | 27.9 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 65% | 0.647 | 73% | 0.725 | S | S | * | * | cis | -156 | 140.8 | -3.9 | -114.9 | -7.5 | 0 | 0 | 0 | 108.3 | ||||
| 1804 | R | 28.3 | Very low | 27.9 | Very low | 236 Ų | 236 | 143.1 Ų | 143.1 | 89% | 0.891 | 72% | 0.72 | S | S | * | * | 60.2 | 142 | 96.5 | -66.5 | -174.2 | 173.5 | -166.8 | -2.7 | 116.4 | |||||
| 1805 | G | 31.9 | Very low | 27.8 | Very low | 72 Ų | 72 | 147.8 Ų | 147.8 | 74% | 0.742 | 73% | 0.731 | S | S | * | * | cis | -141.9 | 161.1 | 14.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1806 | N | 25.7 | Very low | 27.6 | Very low | 133 Ų | 133 | 145.5 Ų | 145.5 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | -101.6 | 174.6 | 175.6 | -55.1 | -18.2 | 0 | 0 | 0 | 110.1 | ||||
| 1807 | F | 27.3 | Very low | 27.5 | Very low | 212 Ų | 212 | 143.6 Ų | 143.6 | 93% | 0.93 | 73% | 0.734 | S | S | * | * | -136.1 | 144.4 | 128 | -119.7 | -82.9 | 0 | 0 | 0 | 111.5 | |||||
| 1808 | E | 26.3 | Very low | 27.3 | Very low | 133 Ų | 133 | 146.4 Ų | 146.4 | 62% | 0.621 | 75% | 0.747 | S | S | * | * | trans | -103.9 | -172.9 | 177 | -52.8 | 175.3 | 72.8 | 0 | 0 | 107.9 | ||||
| 1809 | Q | 26.9 | Very low | 27.2 | Very low | 140 Ų | 140 | 149.1 Ų | 149.1 | 65% | 0.654 | 75% | 0.753 | S | S | * | * | cis | -165.4 | 144.1 | 8.1 | -148.7 | 165.6 | 67.3 | 0 | 0 | 107 | ||||
| 1810 | N | 27.3 | Very low | 27.7 | Very low | 133 Ų | 133 | 148.1 Ų | 148.1 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | 164.2 | 128 | 126.5 | -89 | -37.8 | 0 | 0 | 0 | 117.3 | |||||
| 1811 | T | 25.1 | Very low | 27.5 | Very low | 114 Ų | 114 | 151.8 Ų | 151.8 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | 73.4 | 133.2 | 141.2 | 59.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1812 | F | 26.2 | Very low | 27.2 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 80% | 0.798 | 76% | 0.763 | S | S | * | * | trans | 77.9 | 116.2 | 157.8 | -68.2 | -65.4 | 0 | 0 | 0 | 123.2 | ||||
| 1813 | L | 26.3 | Very low | 26.9 | Very low | 141 Ų | 141 | 152.1 Ų | 152.1 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | 61.3 | 92.1 | 144.8 | -62.1 | 163.1 | 0 | 0 | 0 | 118.5 | ||||
| 1814 | T | 27 | Very low | 26.6 | Very low | 118 Ų | 118 | 148.9 Ų | 148.9 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | 72.6 | 149 | 72.1 | 64.4 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 1815 | R | 25 | Very low | 26.4 | Very low | 243 Ų | 243 | 142.2 Ų | 142.2 | 92% | 0.917 | 74% | 0.742 | S | S | * | * | cis | -172.2 | 172.5 | -36.3 | -135.1 | -174.2 | -173.8 | -163.8 | 3.3 | 108 | ||||
| 1816 | S | 22.4 | Very low | 26.2 | Very low | 102 Ų | 102 | 143 Ų | 143 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | -100.9 | 158.5 | -173.4 | -38.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1817 | C | 22.8 | Very low | 26.2 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | trans | 53.3 | 120.7 | 149.7 | -58.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1818 | H | 24.2 | Very low | 26.3 | Very low | 194 Ų | 194 | 139.4 Ų | 139.4 | 90% | 0.898 | 72% | 0.721 | S | S | * | * | -176.3 | -171.1 | 104.2 | -103 | -48.2 | 0 | 0 | 0 | 116.9 | |||||
| 1819 | R | 24.6 | Very low | 26.3 | Very low | 230 Ų | 230 | 138.8 Ų | 138.8 | 87% | 0.868 | 72% | 0.722 | S | S | * | * | trans | -97.4 | -172.1 | -165.6 | -113.1 | -175.9 | 163.9 | 176.4 | -4.4 | 112.2 | ||||
| 1820 | P | 37.2 | Very low | 26.4 | Very low | 96 Ų | 96 | 142.5 Ų | 142.5 | 62% | 0.623 | 73% | 0.73 | S | S | * | * | cis | -142.4 | -178.1 | -28.3 | 40.1 | -22.1 | 0 | 0 | 0 | 116.6 | ||||
| 1821 | K | 26 | Very low | 26.4 | Very low | 213 Ų | 213 | 143.7 Ų | 143.7 | 93% | 0.926 | 74% | 0.735 | S | S | * | * | trans | 66.4 | 134.9 | 151.7 | -77.7 | -178.5 | 176.9 | -174.3 | 0 | 121.2 | ||||
| 1822 | G | 26.7 | Very low | 26.6 | Very low | 74 Ų | 74 | 144.1 Ų | 144.1 | 76% | 0.763 | 74% | 0.743 | S | S | * | * | trans | 146.6 | 102.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1823 | Q | 26.2 | Very low | 26.7 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 93% | 0.93 | 74% | 0.743 | S | S | * | * | trans | 49.4 | -174.5 | 152.2 | -75.2 | 174.6 | -26.9 | 0 | 0 | 120.5 | ||||
| 1824 | S | 25.8 | Very low | 26.7 | Very low | 53 Ų | 53 | 140.9 Ų | 140.9 | 37% | 0.371 | 74% | 0.741 | S | S | . | * | trans | -146.2 | 178 | -154.2 | 58 | 0 | 0 | 0 | 0 | 115.2 | D189 | D189-S1824 WeakPolarHBondContact OD1-CB 3.36Å; D189-S1824 WeakPolarHBondContact OD2-CB 3.38Å; D189-S1824 PolarHBondContact OD2-OG 3.46Å | ||
| 1825 | N | 23.4 | Very low | 26.8 | Very low | 95 Ų | 95 | 145.4 Ų | 145.4 | 51% | 0.508 | 75% | 0.745 | S | S | . | * | trans | 89.5 | 95 | 175.3 | -62.1 | -58.3 | 0 | 0 | 0 | 120.3 | T188 | T188-N1825 WeakPolarHBondContact CG2-ND2 3.49Å; T188-N1825 VanDerWaalsContact CG2-OD1 3.22Å; T188-N1825 WeakPolarHBondContact CG2-OD1 3.38Å | ||
| 1826 | S | 28.6 | Very low | 26.7 | Very low | 90 Ų | 90 | 141.5 Ų | 141.5 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | 62.1 | 146.8 | 112.9 | 73.6 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1827 | F | 25 | Very low | 26.8 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 57% | 0.566 | 73% | 0.732 | S | S | * | * | trans | 84.2 | 100.8 | 157.1 | -78.5 | -74.3 | 0 | 0 | 0 | 120.7 | M184 T185 | M184-F1827 HydrophobicContact CE-CE1 4.17Å; M184-F1827 HydrophobicContact CE-CZ 4.05Å; T185-F1827 HydrophobicContact CG2-CZ 4.4Å | ||
| 1828 | D | 29.6 | Very low | 26.9 | Very low | 139 Ų | 139 | 144.4 Ų | 144.4 | 74% | 0.743 | 73% | 0.734 | S | S | * | * | 48.6 | 143.1 | 116.4 | -54.3 | -3.5 | 0 | 0 | 0 | 120.4 | |||||
| 1829 | D | 26.6 | Very low | 26.9 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 65% | 0.647 | 73% | 0.728 | S | S | * | * | -166.6 | 169.1 | 72.5 | -161.8 | 6.6 | 0 | 0 | 0 | 115.4 | |||||
| 1830 | R | 28.9 | Very low | 26.8 | Very low | 218 Ų | 218 | 135.9 Ų | 135.9 | 82% | 0.823 | 72% | 0.719 | S | S | * | * | trans | 84.6 | 163.9 | 155.9 | -81.7 | 158.2 | -146.3 | -114.7 | -12.1 | 123.5 | ||||
| 1831 | L | 27.2 | Very low | 26.2 | Very low | 157 Ų | 157 | 140.2 Ų | 140.2 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | trans | -146.4 | 160.7 | -148.3 | -74.8 | 157.3 | 0 | 0 | 0 | 112.4 | ||||
| 1832 | S | 28.4 | Very low | 26.2 | Very low | 123 Ų | 123 | 135.4 Ų | 135.4 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | 178.8 | 174.2 | 143.2 | 42.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1833 | I | 28.2 | Very low | 26 | Very low | 155 Ų | 155 | 137.8 Ų | 137.8 | 80% | 0.795 | 71% | 0.712 | S | S | * | * | trans | -156.9 | 148 | -140.3 | -80 | 159.5 | 0 | 0 | 0 | 112.1 | ||||
| 1834 | S | 26.4 | Very low | 26 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 71% | 0.706 | S | S | * | * | trans | 172.8 | 129.8 | 140.6 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1835 | R | 29.1 | Very low | 25.9 | Very low | 214 Ų | 214 | 137.4 Ų | 137.4 | 81% | 0.808 | 72% | 0.721 | S | S | * | * | 75.7 | 149.7 | 102.6 | -65.8 | -167.9 | 171.8 | 173.1 | -2.1 | 116 | |||||
| 1836 | F | 24.2 | Very low | 26 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 71% | 0.706 | 74% | 0.735 | S | S | * | * | cis | -166.2 | 165.4 | -8.5 | -116 | -171.5 | 0 | 0 | 0 | 114.3 | ||||
| 1837 | T | 24.2 | Very low | 25.8 | Very low | 105 Ų | 105 | 139 Ų | 139 | 64% | 0.644 | 74% | 0.739 | S | S | * | * | trans | 57.6 | 128.6 | 144.9 | 53.8 | 0 | 0 | 0 | 0 | 127.4 | ||||
| 1838 | Q | 24.2 | Very low | 26.1 | Very low | 167 Ų | 167 | 138.6 Ų | 138.6 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | 97 | 136 | 122.6 | -86.5 | -178.2 | -33.1 | 0 | 0 | 125.9 | |||||
| 1839 | L | 24.1 | Very low | 26.1 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | trans | 74 | -179.7 | 143.8 | -68 | 167.5 | 0 | 0 | 0 | 120.8 | ||||
| 1840 | S | 23.6 | Very low | 26.2 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | -148.3 | 140.1 | -128.3 | 53.8 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 1841 | E | 23.5 | Very low | 26.1 | Very low | 186 Ų | 186 | 129.1 Ų | 129.1 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | 73.8 | 160.5 | 141.5 | -148.1 | 164.9 | -115.4 | 0 | 0 | 122.2 | ||||
| 1842 | V | 25.7 | Very low | 26.2 | Very low | 113 Ų | 113 | 128 Ų | 128 | 69% | 0.685 | 74% | 0.735 | S | S | * | * | trans | 85.9 | 95.4 | 166 | -165.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1843 | M | 23.6 | Very low | 26.3 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 61% | 0.611 | 73% | 0.726 | S | S | * | * | trans | 30.5 | 133.3 | 130.7 | -49.4 | -178.1 | -163.7 | 0 | 0 | 123.7 | N2005 | M1843-N2005 HydrophobicContact CE-CB 3.83Å; M1843-N2005 WeakPolarHBondContact CE-ND2 3.38Å; M1843-N2005 HydrophobicContact SD-CB 4.49Å; M1843-N2005 PolarHBondContact SD-ND2 3.18Å | ||
| 1844 | T | 25.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 73% | 0.726 | S | S | * | * | 151.8 | 154.4 | 120.9 | 43.3 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1845 | T | 24.2 | Very low | 26.2 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 68% | 0.675 | 73% | 0.725 | S | S | * | * | 179.7 | 134.1 | -50.5 | 24.1 | 0 | 0 | 0 | 0 | 107.1 | |||||
| 1846 | S | 25.1 | Very low | 26.1 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 72% | 0.721 | S | S | * | * | trans | 60.5 | 165.8 | 153.6 | 55.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1847 | S | 25.2 | Very low | 26.4 | Very low | 104 Ų | 104 | 123.4 Ų | 123.4 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | cis | -146.7 | -167 | -6.5 | 22.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1848 | V | 30.9 | Very low | 26.6 | Very low | 122 Ų | 122 | 126 Ų | 126 | 74% | 0.739 | 72% | 0.723 | S | S | * | * | cis | -170.9 | 134 | 49 | 171.5 | 0 | 0 | 0 | 0 | 105 | ||||
| 1849 | A | 29.6 | Very low | 26.9 | Very low | 95 Ų | 95 | 127 Ų | 127 | 79% | 0.785 | 73% | 0.725 | S | S | * | * | 57.6 | 163 | 83.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 1850 | S | 28.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 126 Ų | 126 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | cis | -138.8 | -161.4 | 8.7 | 65.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1851 | S | 26.8 | Very low | 26.9 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 55% | 0.545 | 72% | 0.718 | S | S | . | * | cis | -161.8 | -167.5 | 0.5 | 23.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1852 | D | 30 | Very low | 27 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 71% | 0.711 | 71% | 0.714 | S | S | * | * | trans | 76 | 145.2 | 150.5 | -52.5 | -46.5 | 0 | 0 | 0 | 118.8 | ||||
| 1853 | T | 30.8 | Very low | 26.8 | Very low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | cis | -151.8 | 145.7 | -10.2 | 8.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1854 | Q | 27.6 | Very low | 26.9 | Very low | 171 Ų | 171 | 123.2 Ų | 123.2 | 80% | 0.799 | 72% | 0.72 | S | S | * | * | trans | 34.2 | 128.4 | 145.2 | -62 | 172.3 | 7.6 | 0 | 0 | 121.2 | ||||
| 1855 | S | 24.6 | Very low | 27.2 | Very low | 97 Ų | 97 | 123.4 Ų | 123.4 | 68% | 0.678 | 72% | 0.722 | S | S | * | * | cis | 85.6 | 145.2 | 32.7 | 80.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 1856 | I | 26.2 | Very low | 27.2 | Very low | 141 Ų | 141 | 125.5 Ų | 125.5 | 72% | 0.723 | 73% | 0.728 | S | S | * | * | cis | -152.7 | -174.6 | 20.4 | -4 | 171.9 | 0 | 0 | 0 | 112.2 | ||||
| 1857 | H | 30.2 | Very low | 27.3 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 65% | 0.653 | 72% | 0.723 | S | S | * | * | trans | 73.3 | 146.2 | 167 | -68.1 | -76.9 | 0 | 0 | 0 | 118.5 | ||||
| 1858 | H | 29.9 | Very low | 27.2 | Very low | 159 Ų | 159 | 127.8 Ų | 127.8 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | cis | -124.5 | 165.9 | -16.3 | -83 | -84.2 | 0 | 0 | 0 | 107.3 | ||||
| 1859 | K | 28.8 | Very low | 26.9 | Very low | 188 Ų | 188 | 129 Ų | 129 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | cis | -144 | 164 | 20.9 | -160.3 | 173.7 | -176.8 | 178.5 | 0 | 109.7 | ||||
| 1860 | E | 24.2 | Very low | 26.7 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | trans | -67.5 | 148.3 | -165.8 | -63.6 | 74.7 | -162.5 | 0 | 0 | 114.6 | ||||
| 1861 | S | 24.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 129.2 Ų | 129.2 | 71% | 0.713 | 72% | 0.719 | S | S | * | * | cis | 78 | 159.1 | 26.1 | 84.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1862 | I | 24.3 | Very low | 26.5 | Very low | 154 Ų | 154 | 131 Ų | 131 | 79% | 0.79 | 73% | 0.732 | S | S | * | * | cis | -138.4 | 165.3 | 23.1 | -61.2 | 174.9 | 0 | 0 | 0 | 112.2 | ||||
| 1863 | S | 22.6 | Very low | 26.4 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 73% | 0.728 | S | S | * | * | trans | -82.6 | 179.5 | 179.4 | -43.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1864 | S | 24.9 | Very low | 26.1 | Very low | 101 Ų | 101 | 131.9 Ų | 131.9 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | trans | 73.1 | 111.1 | 141.5 | 56 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1865 | T | 32.8 | Very low | 26.1 | Very low | 137 Ų | 137 | 128 Ų | 128 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | 41.7 | 108.5 | 129.9 | -40.3 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 1866 | L | 24.1 | Very low | 26.4 | Very low | 154 Ų | 154 | 127.6 Ų | 127.6 | 81% | 0.806 | 72% | 0.724 | S | S | * | * | trans | -167.5 | 157.8 | 143.3 | -104.8 | 163.1 | 0 | 0 | 0 | 111.1 | ||||
| 1867 | L | 26.7 | Very low | 26.4 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 70% | 0.702 | 71% | 0.712 | S | S | * | * | trans | 52.9 | 119.7 | 154.9 | -62.5 | 163.9 | 0 | 0 | 0 | 122.1 | ||||
| 1868 | I | 23.5 | Very low | 26.2 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 68% | 0.677 | 71% | 0.707 | S | S | * | * | 56.6 | 123.3 | 127.3 | -58.3 | 177.9 | 0 | 0 | 0 | 119.4 | |||||
| 1869 | N | 25.2 | Very low | 26 | Very low | 148 Ų | 148 | 118.1 Ų | 118.1 | 79% | 0.791 | 69% | 0.693 | S | S | * | * | trans | 66.7 | 125.4 | 166 | -63.4 | -7.8 | 0 | 0 | 0 | 115.9 | ||||
| 1870 | S | 24.1 | Very low | 25.9 | Very low | 97 Ų | 97 | 112.9 Ų | 112.9 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | cis | -154.5 | 156.8 | 2.2 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1871 | S | 25.1 | Very low | 26.2 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | trans | 32.4 | 147.9 | 144 | 58.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1872 | S | 26.3 | Very low | 26.6 | Very low | 117 Ų | 117 | 111.6 Ų | 111.6 | 82% | 0.818 | 67% | 0.673 | S | S | * | * | cis | -178.2 | 164.3 | -22.1 | 47.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1873 | A | 27 | Very low | 26.8 | Very low | 77 Ų | 77 | 112.5 Ų | 112.5 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | -55.4 | 177.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1874 | H | 25.8 | Very low | 27.9 | Very low | 181 Ų | 181 | 112 Ų | 112 | 84% | 0.838 | 67% | 0.67 | S | S | * | * | trans | 85.8 | 165.8 | 158.1 | -65 | -66.1 | 0 | 0 | 0 | 120.7 | ||||
| 1875 | S | 26.6 | Very low | 28.6 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 64% | 0.636 | 68% | 0.676 | S | S | * | * | trans | -122.6 | 176.3 | -177.4 | 57.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1876 | P | 32.5 | Very low | 28.6 | Very low | 87 Ų | 87 | 111.2 Ų | 111.2 | 57% | 0.565 | 67% | 0.673 | S | S | * | * | cis | -128.2 | 175.1 | -19.9 | 40.2 | -25.4 | 0 | 0 | 0 | 113.5 | T1898 | P1876-T1898 WeakPolarHBondContact O-CA 3.14Å; P1876-T1898 PolarHBondContact O-N 3.45Å | ||
| 1877 | S | 25 | Very low | 28.9 | Very low | 68 Ų | 68 | 111 Ų | 111 | 48% | 0.476 | 67% | 0.673 | S | S | . | * | trans | 64.9 | 117.7 | 157.6 | 72.2 | 0 | 0 | 0 | 0 | 123.6 | A1897 T1898 S1899 | S1877-A1897 CarbonylContact C-O 3.12Å; S1877-A1897 CarbonylContact O-C 3.48Å; S1877-T1898 VanDerWaalsContact N-N 3.18Å; S1877-T1898 CarbonylContact O-C 3.56Å; S1877-T1898 VanDerWaalsContact O-CA 3.23Å; S1877-T1898 WeakPolarHBondContact O-CA 3.46Å; S1877-T1898 PolarHBondContact O-N 3.32Å; S1877-S1899 PolarHBondContact O-N 3.47Å | ||
| 1878 | T | 25.6 | Very low | 28.9 | Very low | 89 Ų | 89 | 112.6 Ų | 112.6 | 55% | 0.546 | 68% | 0.677 | S | S | . | * | 136.5 | 101.6 | 117.4 | -69.5 | 0 | 0 | 0 | 0 | 120.7 | T1896 A1897 | T1878-T1896 PolarHBondContact N-O 3.3Å; T1878-A1897 VanDerWaalsContact N-C 3.33Å; T1878-A1897 PolarHBondContact N-O 3.12Å; T1878-A1897 VanDerWaalsContact N-O 3.15Å | |||
| 1879 | I | 26.3 | Very low | 29.1 | Very low | 86 Ų | 86 | 111.9 Ų | 111.9 | 44% | 0.441 | 68% | 0.684 | S | S | . | * | 80.2 | 105.2 | 123.3 | -55.4 | -171.4 | 0 | 0 | 0 | 124.7 | K1328 I1329 | K1328-I1879 VanDerWaalsContact O-CD1 3.29Å; K1328-I1879 WeakPolarHBondContact O-CD1 3.31Å; K1328-I1879 VanDerWaalsContact O-CG2 3.24Å; K1328-I1879 WeakPolarHBondContact O-CG2 3.46Å; I1329-I1879 WeakPolarHBondContact O-CD1 3.28Å; I1329-I1879 WeakPolarHBondContact O-CG1 3.36Å | |||
| 1880 | L | 27.8 | Very low | 29.2 | Very low | 77 Ų | 77 | 113.9 Ų | 113.9 | 40% | 0.403 | 69% | 0.686 | S | S | . | * | 75.5 | 132.1 | 128.3 | -74.7 | -176.8 | 0 | 0 | 0 | 131.8 | K1328 I1329 | K1328-L1880 HydrophobicContact CB-CD1 3.42Å; K1328-L1880 VanDerWaalsContact CB-CD1 3.42Å; K1328-L1880 HydrophobicContact CD-CD1 3.76Å; K1328-L1880 HydrophobicContact CG-CD1 3.48Å; K1328-L1880 VanDerWaalsContact CG-CD1 3.48Å; I1329-L1880 HydrophobicContact CB-CD1 3.6Å; I1329-L1880 HydrophobicContact CB-CD2 4.1Å; I1329-L1880 HydrophobicContact CB-CG 4.16Å; I1329-L1880 HydrophobicContact CD1-CD1 4.4Å; I1329-L1880 HydrophobicContact CG1-CD1 4.34Å; I1329-L1880 HydrophobicContact CG2-CD1 4.46Å; I1329-L1880 HydrophobicContact CG2-CD2 4.05Å | |||
| 1881 | S | 28.7 | Very low | 29.7 | Very low | 86 Ų | 86 | 116.3 Ų | 116.3 | 60% | 0.601 | 69% | 0.688 | S | S | * | * | 89.3 | 140 | 120.1 | 71.6 | 0 | 0 | 0 | 0 | 126 | |||||
| 1882 | V | 34.8 | Very low | 30.5 | Very low | 117 Ų | 117 | 116.5 Ų | 116.5 | 71% | 0.709 | 68% | 0.684 | S | S | * | * | 151.5 | 125.2 | 125.1 | 166.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 1883 | Q | 26.9 | Very low | 31.2 | Very low | 173 Ų | 173 | 117 Ų | 117 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | trans | 62.3 | 103.8 | 153.6 | -72.9 | 162.5 | -7.9 | 0 | 0 | 126.4 | ||||
| 1884 | S | 46 | Very low | 31.4 | Very low | 93 Ų | 93 | 118.7 Ų | 118.7 | 65% | 0.65 | 68% | 0.679 | S | S | * | * | 16.7 | 149 | 125 | 62.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 1885 | P | 40.1 | Very low | 31.4 | Very low | 128 Ų | 128 | 113.4 Ų | 113.4 | 83% | 0.831 | 66% | 0.657 | S | S | * | * | -141.6 | 172.9 | 103.7 | 38.7 | -25 | 0 | 0 | 0 | 116.8 | |||||
| 1886 | A | 32.3 | Very low | 31.5 | Very low | 94 Ų | 94 | 113.5 Ų | 113.5 | 78% | 0.777 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -64.7 | 159.5 | -166 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1887 | N | 31.2 | Very low | 31.1 | Very low | 149 Ų | 149 | 112 Ų | 112 | 80% | 0.797 | 65% | 0.649 | S | S | * | * | S | Bend | cis | -145.3 | 146.3 | 8.5 | -151.4 | -0.3 | 0 | 0 | 0 | 111.1 | ||
| 1888 | Q | 26.5 | Very low | 31.2 | Very low | 167 Ų | 167 | 112 Ų | 112 | 78% | 0.78 | 65% | 0.646 | S | S | * | * | S | Bend | trans | 68.5 | 122.3 | -173.9 | -56.5 | 179.8 | -11.4 | 0 | 0 | 116.6 | ||
| 1889 | S | 28.2 | Very low | 31.3 | Very low | 118 Ų | 118 | 112.2 Ų | 112.2 | 83% | 0.825 | 65% | 0.651 | S | S | * | * | S | Bend | trans | 41.7 | 85.7 | 162.6 | 56.6 | 0 | 0 | 0 | 0 | 119 | ||
| 1890 | F | 27.6 | Very low | 31.2 | Very low | 190 Ų | 190 | 114.4 Ų | 114.4 | 83% | 0.833 | 66% | 0.664 | S | S | * | * | trans | -150.9 | 155.4 | 171.9 | -108.3 | -91.8 | 0 | 0 | 0 | 112.6 | ||||
| 1891 | M | 33.3 | Very low | 31 | Very low | 148 Ų | 148 | 118 Ų | 118 | 73% | 0.729 | 68% | 0.679 | S | S | * | * | trans | 64.5 | 154.3 | 161.5 | -68.1 | -162 | 74.4 | 0 | 0 | 121.1 | ||||
| 1892 | V | 43 | Very low | 30.8 | Very low | 110 Ų | 110 | 121.5 Ų | 121.5 | 67% | 0.667 | 68% | 0.684 | S | S | * | * | cis | -172.2 | 116.1 | -41.9 | 127.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1893 | V | 41.2 | Very low | 30.6 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | 61.2 | 153.2 | 134.7 | -161.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 1894 | I | 30.1 | Very low | 30.5 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 59% | 0.585 | 69% | 0.686 | S | S | * | * | trans | 106.5 | 122 | 156.5 | -55.1 | -172.3 | 0 | 0 | 0 | 119.1 | T1896 | I1894-T1896 HydrophobicContact CG2-CG2 4.04Å; I1894-T1896 WeakPolarHBondContact CG2-OG1 3.49Å | ||
| 1895 | D | 25.7 | Very low | 29.5 | Very low | 69 Ų | 69 | 124.8 Ų | 124.8 | 37% | 0.369 | 69% | 0.692 | S | S | . | * | trans | -120.9 | 112 | 152.3 | -66.5 | -59.5 | 0 | 0 | 0 | 109.2 | V1331 N1332 | V1331-D1895 VanDerWaalsContact CB-OD1 3.31Å; V1331-D1895 WeakPolarHBondContact CB-OD1 3.32Å; V1331-D1895 VanDerWaalsContact CG1-OD1 3.32Å; V1331-D1895 WeakPolarHBondContact CG1-OD1 3.2Å; V1331-D1895 WeakPolarHBondContact O-CB 3.46Å; N1332-D1895 HydrophobicContact CB-CB 4.18Å; N1332-D1895 WeakPolarHBondContact CB-OD2 3.25Å; N1332-D1895 PolarHBondContact ND2-OD2 3.08Å | ||
| 1896 | T | 28.1 | Very low | 28.9 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 58% | 0.577 | 69% | 0.688 | S | S | * | * | trans | -155.5 | 150 | 178.3 | 49 | 0 | 0 | 0 | 0 | 117.3 | T1878 I1894 | T1878-T1896 PolarHBondContact N-O 3.3Å; I1894-T1896 HydrophobicContact CG2-CG2 4.04Å; I1894-T1896 WeakPolarHBondContact CG2-OG1 3.49Å | ||
| 1897 | A | 25.3 | Very low | 28.8 | Very low | 56 Ų | 56 | 124 Ų | 124 | 46% | 0.463 | 68% | 0.684 | S | S | . | * | trans | 37.3 | 132 | 133.3 | 0 | 0 | 0 | 0 | 0 | 126 | S1877 T1878 | S1877-A1897 CarbonylContact C-O 3.12Å; S1877-A1897 CarbonylContact O-C 3.48Å; T1878-A1897 VanDerWaalsContact N-C 3.33Å; T1878-A1897 PolarHBondContact N-O 3.12Å; T1878-A1897 VanDerWaalsContact N-O 3.15Å | ||
| 1898 | T | 27.1 | Very low | 28.6 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 41% | 0.411 | 69% | 0.686 | S | S | . | * | trans | 48.8 | 125.2 | 139.5 | 59.1 | 0 | 0 | 0 | 0 | 121.7 | P1876 S1877 | P1876-T1898 WeakPolarHBondContact O-CA 3.14Å; P1876-T1898 PolarHBondContact O-N 3.45Å; S1877-T1898 VanDerWaalsContact N-N 3.18Å; S1877-T1898 CarbonylContact O-C 3.56Å; S1877-T1898 VanDerWaalsContact O-CA 3.23Å; S1877-T1898 WeakPolarHBondContact O-CA 3.46Å; S1877-T1898 PolarHBondContact O-N 3.32Å | ||
| 1899 | S | 26.2 | Very low | 28.5 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | 168.8 | 175.4 | 64.3 | 49.4 | 0 | 0 | 0 | 0 | 114.4 | S1877 | S1877-S1899 PolarHBondContact O-N 3.47Š| |||
| 1900 | N | 24.5 | Very low | 28.2 | Very low | 132 Ų | 132 | 119.4 Ų | 119.4 | 71% | 0.706 | 67% | 0.669 | S | S | * | * | trans | 39.3 | 141 | 148.8 | -69.9 | 13.3 | 0 | 0 | 0 | 125.2 | ||||
| 1901 | E | 23.6 | Very low | 28 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | trans | 46.5 | 125.8 | 140.8 | -59.3 | 176.9 | 144.3 | 0 | 0 | 119.2 | ||||
| 1902 | F | 24.8 | Very low | 27.5 | Very low | 159 Ų | 159 | 112.5 Ų | 112.5 | 70% | 0.697 | 66% | 0.655 | S | S | * | * | cis | -168.9 | 164 | 45.7 | -122.2 | -59.4 | 0 | 0 | 0 | 111.7 | H1904 | F1902-H1904 PolarHBondContact O-CD2 3.42Å; F1902-H1904 VanDerWaalsContact O-CD2 3.31Å; F1902-H1904 PolarHBondContact O-N 2.97Å | ||
| 1903 | I | 30.8 | Very low | 26.6 | Very low | 141 Ų | 141 | 115.5 Ų | 115.5 | 72% | 0.723 | 66% | 0.661 | S | S | * | * | trans | 42.2 | 55.3 | 158.4 | -28.7 | 169.1 | 0 | 0 | 0 | 120.7 | ||||
| 1904 | H | 25.3 | Very low | 25.8 | Very low | 184 Ų | 184 | 115.3 Ų | 115.3 | 85% | 0.852 | 66% | 0.66 | S | S | * | * | trans | -125.5 | 80.1 | 167 | -74.4 | -69.1 | 0 | 0 | 0 | 114.8 | F1902 | F1902-H1904 PolarHBondContact O-CD2 3.42Å; F1902-H1904 VanDerWaalsContact O-CD2 3.31Å; F1902-H1904 PolarHBondContact O-N 2.97Å | ||
| 1905 | T | 25.1 | Very low | 25.5 | Very low | 126 Ų | 126 | 115.7 Ų | 115.7 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -140.5 | 160.2 | 164.8 | 54.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1906 | S | 27.8 | Very low | 25.6 | Very low | 105 Ų | 105 | 115.9 Ų | 115.9 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | 73.8 | 138.5 | 175.7 | 82.3 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1907 | S | 29.6 | Very low | 25.4 | Very low | 101 Ų | 101 | 116.9 Ų | 116.9 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | trans | 81.3 | 147.2 | 137.9 | 79.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1908 | L | 26.6 | Very low | 25.5 | Very low | 159 Ų | 159 | 122.2 Ų | 122.2 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | cis | -148.4 | 170.5 | -16.5 | -119.4 | 168.5 | 0 | 0 | 0 | 110.9 | ||||
| 1909 | S | 23.4 | Very low | 25.7 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 58% | 0.58 | 73% | 0.728 | S | S | * | * | trans | -35.3 | 156.2 | 178.4 | 57.9 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1910 | S | 22.9 | Very low | 25.7 | Very low | 95 Ų | 95 | 129.7 Ų | 129.7 | 66% | 0.664 | 74% | 0.735 | S | S | * | * | 76.7 | 138.9 | 129.8 | 63.9 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1911 | S | 22.6 | Very low | 25.7 | Very low | 92 Ų | 92 | 129.7 Ų | 129.7 | 64% | 0.643 | 73% | 0.734 | S | S | * | * | trans | 74 | 118.9 | 132.8 | 64 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1912 | T | 23.4 | Very low | 26 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 63% | 0.626 | 73% | 0.733 | S | S | * | * | 76.6 | 131.8 | 125.4 | 54.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1913 | H | 23.9 | Very low | 26.3 | Very low | 172 Ų | 172 | 128 Ų | 128 | 80% | 0.796 | 73% | 0.732 | S | S | * | * | trans | 59.7 | 140 | 147.6 | -50.4 | -46.5 | 0 | 0 | 0 | 116.6 | ||||
| 1914 | T | 25.3 | Very low | 26.2 | Very low | 123 Ų | 123 | 127 Ų | 127 | 76% | 0.755 | 73% | 0.728 | S | S | * | * | cis | -146.9 | 136.8 | 29.6 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1915 | S | 22.5 | Very low | 26.4 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -78 | 135.2 | 131.5 | 46.5 | 0 | 0 | 0 | 0 | 107.2 | ||
| 1916 | G | 29.2 | Very low | 26.6 | Very low | 73 Ų | 73 | 128.2 Ų | 128.2 | 75% | 0.753 | 72% | 0.721 | S | S | * | * | trans | -71.3 | 132.9 | -170 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1917 | S | 22.9 | Very low | 26.5 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 72% | 0.717 | S | S | * | * | trans | -88.1 | 113.8 | 171.1 | 81.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1918 | M | 28.6 | Very low | 26.3 | Very low | 168 Ų | 168 | 130.7 Ų | 130.7 | 83% | 0.828 | 72% | 0.716 | S | S | * | * | trans | -158.7 | 145.9 | 158.2 | -85.6 | -155.5 | 170 | 0 | 0 | 107.3 | ||||
| 1919 | N | 30.4 | Very low | 26.1 | Very low | 111 Ų | 111 | 133.1 Ų | 133.1 | 59% | 0.594 | 72% | 0.715 | S | S | * | * | cis | -154.6 | 147.2 | -10.2 | -121.2 | -1.1 | 0 | 0 | 0 | 111 | ||||
| 1920 | W | 25.7 | Very low | 26.1 | Very low | 206 Ų | 206 | 134.5 Ų | 134.5 | 78% | 0.78 | 73% | 0.725 | S | S | * | * | 33.6 | 126.4 | 127.5 | -77.7 | 57.7 | 0 | 0 | 0 | 121.6 | |||||
| 1921 | L | 25.7 | Very low | 26.1 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 69% | 0.691 | 73% | 0.727 | S | S | * | * | trans | 63.9 | 152.9 | 142.5 | -86.1 | 63.3 | 0 | 0 | 0 | 117.3 | ||||
| 1922 | E | 29.2 | Very low | 26.2 | Very low | 152 Ų | 152 | 137.8 Ų | 137.8 | 71% | 0.71 | 73% | 0.732 | S | S | * | * | cis | -149 | 121.1 | 19 | -159.7 | 167.8 | -125.3 | 0 | 0 | 112.8 | ||||
| 1923 | N | 31 | Very low | 26.2 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 67% | 0.674 | 74% | 0.737 | S | S | * | * | 178 | 136.9 | 118.3 | -102.3 | -75.9 | 0 | 0 | 0 | 115 | |||||
| 1924 | N | 29.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 64% | 0.642 | 74% | 0.737 | S | S | * | * | trans | 60.1 | 91.8 | 150.5 | -63.3 | -42.1 | 0 | 0 | 0 | 122.2 | ||||
| 1925 | N | 28.6 | Very low | 26.5 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 70% | 0.695 | 74% | 0.738 | S | S | * | * | 77 | 137.8 | 127.1 | -61.3 | -41.8 | 0 | 0 | 0 | 120.9 | |||||
| 1926 | R | 29.2 | Very low | 26.9 | Very low | 205 Ų | 205 | 139.6 Ų | 139.6 | 77% | 0.774 | 73% | 0.728 | S | S | * | * | cis | -166.8 | 129 | -22.3 | -128.7 | -174.6 | 173.6 | -147 | -0.3 | 110.9 | ||||
| 1927 | L | 26.6 | Very low | 26.9 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 65% | 0.654 | 73% | 0.726 | S | S | * | * | trans | 58.4 | 135.3 | 142.6 | -68.9 | 167.9 | 0 | 0 | 0 | 123.2 | ||||
| 1928 | I | 25.2 | Very low | 27.1 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 68% | 0.677 | 72% | 0.723 | S | S | * | * | trans | 87.7 | 114 | 131.6 | -78.3 | 169.5 | 0 | 0 | 0 | 120.4 | ||||
| 1929 | Y | 23.6 | Very low | 27.1 | Very low | 210 Ų | 210 | 145.3 Ų | 145.3 | 82% | 0.824 | 72% | 0.721 | S | S | * | * | trans | 68.2 | 143.5 | 149.4 | -86.3 | -121.1 | 0 | 0 | 0 | 121.2 | ||||
| 1930 | S | 23 | Very low | 26.8 | Very low | 112 Ų | 112 | 145.9 Ų | 145.9 | 78% | 0.783 | 73% | 0.729 | S | S | * | * | trans | 76.5 | 168.5 | 153.8 | 77.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1931 | T | 22.6 | Very low | 26.8 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | trans | -60.3 | 174.7 | 177.6 | 43.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1932 | L | 23.5 | Very low | 26.8 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 74% | 0.743 | 73% | 0.729 | S | S | * | * | trans | 77 | 119.9 | 178.4 | -67.5 | 108.3 | 0 | 0 | 0 | 113 | ||||
| 1933 | D | 25.3 | Very low | 26.8 | Very low | 137 Ų | 137 | 139.8 Ų | 139.8 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | cis | 100.3 | 121.5 | 43.4 | -78.8 | -30.4 | 0 | 0 | 0 | 110 | ||||
| 1934 | T | 27.8 | Very low | 26.5 | Very low | 132 Ų | 132 | 144.8 Ų | 144.8 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | trans | 174.8 | 130.6 | 148.9 | 19.6 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1935 | Q | 27.3 | Very low | 26.4 | Very low | 166 Ų | 166 | 143.8 Ų | 143.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | S | Bend | cis | -144.2 | 164.3 | 15 | -67.8 | -163.7 | 27 | 0 | 0 | 107.8 | ||
| 1936 | L | 29.4 | Very low | 26.3 | Very low | 122 Ų | 122 | 143.2 Ų | 143.2 | 64% | 0.639 | 75% | 0.75 | S | S | * | * | S | Bend | cis | -154 | 160 | -10.7 | -98.6 | 155.8 | 0 | 0 | 0 | 103.5 | ||
| 1937 | N | 29.6 | Very low | 26.2 | Very low | 133 Ų | 133 | 139.2 Ų | 139.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | cis | -146.3 | 152.7 | 19.9 | -151.5 | -11.5 | 0 | 0 | 0 | 112.9 | ||||
| 1938 | R | 27.2 | Very low | 26.1 | Very low | 199 Ų | 199 | 137.5 Ų | 137.5 | 75% | 0.751 | 76% | 0.758 | S | S | * | * | trans | -49.8 | 162.3 | 168.5 | -73.2 | 165 | 179.8 | 150.6 | -0.6 | 113.1 | ||||
| 1939 | N | 28.2 | Very low | 26.1 | Very low | 146 Ų | 146 | 136.4 Ų | 136.4 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | -153.5 | 172.7 | 19 | -125.5 | -7.1 | 0 | 0 | 0 | 112.9 | ||||
| 1940 | T | 25.1 | Very low | 26.2 | Very low | 123 Ų | 123 | 130.9 Ų | 130.9 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -107.7 | 164.2 | -175.1 | 53 | 0 | 0 | 0 | 0 | 115 | ||||
| 1941 | S | 26 | Very low | 26.4 | Very low | 97 Ų | 97 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | trans | 94 | 138.9 | 145.9 | 83.9 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1942 | N | 26.2 | Very low | 26.5 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 80% | 0.797 | 76% | 0.758 | S | S | * | * | trans | 81.5 | 144.7 | 144.7 | -65.9 | -28.1 | 0 | 0 | 0 | 123.1 | ||||
| 1943 | C | 28 | Very low | 27.1 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 78% | 0.784 | 75% | 0.754 | S | S | * | * | trans | 72.3 | 83.8 | 157.2 | -67.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1944 | R | 25.9 | Very low | 27 | Very low | 231 Ų | 231 | 135.9 Ų | 135.9 | 87% | 0.872 | 76% | 0.755 | S | S | * | * | 52.2 | 105.6 | 116.1 | -77.3 | -174.6 | 171.8 | 177.4 | -2.2 | 120.4 | |||||
| 1945 | S | 25.7 | Very low | 27 | Very low | 99 Ų | 99 | 135.6 Ų | 135.6 | 69% | 0.692 | 75% | 0.748 | S | S | * | * | 69.6 | 147.3 | 121.5 | 66.6 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1946 | S | 26 | Very low | 27.1 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | trans | 77.8 | 143 | 176.1 | -28.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1947 | S | 27.4 | Very low | 26.9 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | cis | -150.4 | 176 | -4.3 | 41.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1948 | A | 25.4 | Very low | 26.7 | Very low | 89 Ų | 89 | 138 Ų | 138 | 74% | 0.736 | 74% | 0.744 | S | S | * | * | trans | -88.1 | 174.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1949 | S | 25.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 83.7 | 129.9 | 151.3 | 70.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 1950 | S | 25.2 | Very low | 26.3 | Very low | 94 Ų | 94 | 134.4 Ų | 134.4 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | 84.5 | 116.9 | 130 | 62.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1951 | Y | 27.3 | Very low | 26.2 | Very low | 198 Ų | 198 | 133.2 Ų | 133.2 | 78% | 0.776 | 74% | 0.74 | S | S | * | * | 85.8 | 115.4 | 126.4 | -84 | -134 | 0 | 0 | 0 | 121.2 | |||||
| 1952 | Y | 25 | Very low | 26.2 | Very low | 203 Ų | 203 | 135 Ų | 135 | 80% | 0.796 | 75% | 0.747 | S | S | * | * | trans | 65.6 | 160.1 | 149.4 | -71.5 | -54.2 | 0 | 0 | 0 | 120.4 | ||||
| 1953 | P | 35.1 | Very low | 26.2 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 66% | 0.662 | 75% | 0.747 | S | S | * | * | cis | -129.4 | 178.2 | -27.3 | 34.8 | -17.5 | 0 | 0 | 0 | 113.8 | ||||
| 1954 | S | 25.2 | Very low | 26 | Very low | 106 Ų | 106 | 133 Ų | 133 | 74% | 0.741 | 74% | 0.741 | S | S | * | * | trans | 31.5 | 129.8 | 151.5 | -53.2 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1955 | N | 27.2 | Very low | 25.9 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | -170.7 | 166.8 | 50.2 | -129.5 | -4.8 | 0 | 0 | 0 | 114.1 | |||||
| 1956 | H | 28.8 | Very low | 25.9 | Very low | 131 Ų | 131 | 132 Ų | 132 | 61% | 0.606 | 74% | 0.744 | S | S | * | * | trans | 63.6 | 111.7 | 152.7 | -67.6 | -37.3 | 0 | 0 | 0 | 124 | ||||
| 1957 | Y | 26.1 | Very low | 26.1 | Very low | 189 Ų | 189 | 131.7 Ų | 131.7 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | 75 | 123.7 | 126.6 | -67.2 | -51.8 | 0 | 0 | 0 | 124.7 | |||||
| 1958 | H | 24.2 | Very low | 26.6 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 70% | 0.699 | 74% | 0.742 | S | S | * | * | trans | 68.7 | 99.3 | 136.1 | -84.3 | -70.3 | 0 | 0 | 0 | 123.6 | ||||
| 1959 | T | 23 | Very low | 26.7 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | 78.1 | 159.9 | 126.8 | 46.1 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 1960 | I | 25.2 | Very low | 27 | Very low | 152 Ų | 152 | 133.8 Ų | 133.8 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | 91.6 | 95.5 | 167.3 | -50.4 | -172.5 | 0 | 0 | 0 | 117.7 | ||||
| 1961 | S | 21.9 | Very low | 27.2 | Very low | 97 Ų | 97 | 134.1 Ų | 134.1 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | 49.9 | 104.8 | 129.1 | -48.8 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1962 | T | 27.1 | Very low | 27.3 | Very low | 134 Ų | 134 | 128.4 Ų | 128.4 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | 36.5 | 122.8 | 124.9 | 59 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1963 | T | 24.7 | Very low | 27.3 | Very low | 131 Ų | 131 | 127.8 Ų | 127.8 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | trans | -145.3 | 147.2 | 153.9 | 49.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1964 | S | 24.6 | Very low | 27.1 | Very low | 94 Ų | 94 | 130.6 Ų | 130.6 | 66% | 0.657 | 74% | 0.74 | S | S | * | * | trans | 54.3 | 114 | 140.7 | 62.8 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 1965 | F | 24.6 | Very low | 27.2 | Very low | 198 Ų | 198 | 130.6 Ų | 130.6 | 87% | 0.868 | 74% | 0.736 | S | S | * | * | 62.6 | 123.6 | 116.8 | -70.4 | -73.7 | 0 | 0 | 0 | 125.6 | |||||
| 1966 | S | 24.2 | Very low | 27.3 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | trans | 69.6 | 134.8 | 132.1 | 62.7 | 0 | 0 | 0 | 0 | 125 | ||||
| 1967 | S | 31.6 | Very low | 27.4 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | -65.2 | -177.4 | 160.6 | -19.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1968 | P | 38 | Very low | 27.4 | Very low | 129 Ų | 129 | 129 Ų | 129 | 84% | 0.838 | 75% | 0.747 | S | S | * | * | cis | -152.9 | -166.6 | 32 | 45.8 | -24.4 | 0 | 0 | 0 | 118 | ||||
| 1969 | G | 27.6 | Very low | 27.5 | Very low | 62 Ų | 62 | 126.8 Ų | 126.8 | 64% | 0.639 | 75% | 0.748 | S | S | * | * | 127 | 167.5 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1970 | I | 30.3 | Very low | 27.6 | Very low | 172 Ų | 172 | 128.5 Ų | 128.5 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | 74.8 | 139 | -178.3 | -63.5 | 173.4 | 0 | 0 | 0 | 113.7 | ||||
| 1971 | S | 30.2 | Very low | 27.5 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 75% | 0.749 | S | S | * | * | cis | -174.3 | 170.3 | -20.7 | 69.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1972 | S | 29.1 | Very low | 28.3 | Very low | 79 Ų | 79 | 127.3 Ų | 127.3 | 55% | 0.552 | 75% | 0.754 | S | S | * | * | cis | -173.4 | 159.5 | -29.8 | 52.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1973 | F | 25.5 | Very low | 28.1 | Very low | 189 Ų | 189 | 126.8 Ų | 126.8 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | 69.2 | 143.4 | 168.3 | -49.6 | -62.3 | 0 | 0 | 0 | 118 | ||||
| 1974 | H | 30.1 | Very low | 28.1 | Very low | 162 Ų | 162 | 128.6 Ų | 128.6 | 75% | 0.75 | 75% | 0.754 | S | S | * | * | cis | -147.4 | 132.2 | 35.1 | -141.6 | -88.3 | 0 | 0 | 0 | 115.2 | ||||
| 1975 | T | 27.7 | Very low | 28.1 | Very low | 105 Ų | 105 | 129 Ų | 129 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | trans | 40.8 | 143.8 | 150.6 | 57.3 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1976 | S | 29.7 | Very low | 28.1 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 84 | 138.3 | 149 | 82.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 1977 | Q | 29 | Very low | 28.1 | Very low | 166 Ų | 166 | 124.4 Ų | 124.4 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | -161.9 | 164 | -15.6 | -127.4 | 179.6 | 1.3 | 0 | 0 | 110.8 | ||||
| 1978 | L | 27.4 | Very low | 27.7 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 72% | 0.723 | 76% | 0.756 | S | S | * | * | trans | 59.7 | 104.4 | 155.4 | -63 | 164.8 | 0 | 0 | 0 | 117.5 | ||||
| 1979 | S | 25.7 | Very low | 27.1 | Very low | 105 Ų | 105 | 126.5 Ų | 126.5 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | 91.3 | 155 | 97 | 79 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1980 | I | 25.9 | Very low | 27.6 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | cis | -129.9 | 164.8 | 8.3 | -63.1 | 172 | 0 | 0 | 0 | 109.7 | ||||
| 1981 | S | 22 | Very low | 27.7 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | -67.2 | -171.6 | 172.5 | -37.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1982 | P | 38.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | trans | -90.9 | -149.4 | -160 | 40.1 | -39.2 | 0 | 0 | 0 | 114.1 | ||||
| 1983 | V | 23.2 | Very low | 27.7 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 112.2 | 131.1 | 160.5 | -175.9 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1984 | L | 24.3 | Very low | 27.8 | Very low | 168 Ų | 168 | 130.1 Ų | 130.1 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | trans | 60.8 | 147.4 | 159.4 | -78 | 166.4 | 0 | 0 | 0 | 123.6 | ||||
| 1985 | S | 25.3 | Very low | 27.6 | Very low | 104 Ų | 104 | 127.7 Ų | 127.7 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -80.7 | 168.3 | 167.7 | -58.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1986 | S | 23.4 | Very low | 27.6 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | 76.7 | 135.4 | 174.4 | 83.1 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1987 | G | 25.2 | Very low | 27.4 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | 157.6 | 71.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1988 | S | 24.2 | Very low | 27.3 | Very low | 94 Ų | 94 | 126 Ų | 126 | 66% | 0.657 | 76% | 0.76 | S | S | * | * | trans | -99 | 148.8 | -164 | 80 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1989 | K | 24.1 | Very low | 27.3 | Very low | 191 Ų | 191 | 125.5 Ų | 125.5 | 83% | 0.83 | 77% | 0.767 | S | S | * | * | trans | 85 | 158.7 | 150 | -68.1 | 162.7 | -175.8 | 167.9 | 0 | 118.7 | ||||
| 1990 | P | 38.5 | Very low | 27.3 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 59% | 0.591 | 77% | 0.773 | S | S | * | * | trans | -132.8 | -172.5 | -153.2 | 45.4 | -29 | 0 | 0 | 0 | 114.6 | ||||
| 1991 | P | 31.9 | Very low | 27.2 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -71.6 | 123.1 | 142.2 | -7.9 | 26.7 | 0 | 0 | 0 | 109 | ||||
| 1992 | K | 28.1 | Very low | 27.4 | Very low | 179 Ų | 179 | 127.3 Ų | 127.3 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | 64.5 | 126.6 | 63.6 | -59.3 | 168.2 | -174.7 | 176.5 | 0 | 110.2 | |||||
| 1993 | T | 32.5 | Very low | 26.6 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 67% | 0.669 | 77% | 0.77 | S | S | * | * | cis | -147.7 | 155.9 | 18 | 49.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1994 | F | 26.3 | Very low | 26.6 | Very low | 185 Ų | 185 | 126.5 Ų | 126.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | cis | -136.5 | 149.4 | 13.6 | -84.7 | -93.8 | 0 | 0 | 0 | 108.4 | ||||
| 1995 | V | 25.8 | Very low | 26.6 | Very low | 112 Ų | 112 | 123 Ų | 123 | 68% | 0.679 | 75% | 0.752 | S | S | * | * | cis | 79.6 | 133.8 | 21.8 | -174.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1996 | P | 28.9 | Very low | 26.5 | Very low | 108 Ų | 108 | 125.6 Ų | 125.6 | 70% | 0.701 | 75% | 0.752 | S | S | * | * | cis | -130.6 | 163.8 | -0.3 | 35.6 | -16.6 | 0 | 0 | 0 | 117.8 | ||||
| 1997 | T | 24.2 | Very low | 26.5 | Very low | 135 Ų | 135 | 129.6 Ų | 129.6 | 83% | 0.828 | 75% | 0.747 | S | S | * | * | 10.6 | 135.5 | 129.8 | -39.5 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 1998 | A | 27.7 | Very low | 26.5 | Very low | 99 Ų | 99 | 133 Ų | 133 | 82% | 0.818 | 75% | 0.746 | S | S | * | * | trans | -161.8 | 129.6 | 134.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1999 | C | 27.1 | Very low | 26.9 | Very low | 128 Ų | 128 | 133.6 Ų | 133.6 | 87% | 0.865 | 75% | 0.748 | S | S | * | * | trans | -125 | 129.9 | 156.9 | -72.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 2000 | V | 26.8 | Very low | 26.8 | Very low | 142 Ų | 142 | 129.3 Ų | 129.3 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -168.4 | 167.2 | 164.4 | 120 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2001 | L | 22.4 | Very low | 26.1 | Very low | 152 Ų | 152 | 132.5 Ų | 132.5 | 80% | 0.796 | 75% | 0.753 | S | S | * | * | trans | -53.2 | 179.7 | 169.1 | -59.3 | 144.4 | 0 | 0 | 0 | 113.9 | ||||
| 2002 | P | 26.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | cis | -128.7 | -168.5 | -8.5 | 35.4 | -15.9 | 0 | 0 | 0 | 113.2 | ||||
| 2003 | S | 22.7 | Very low | 26.3 | Very low | 106 Ų | 106 | 128.7 Ų | 128.7 | 74% | 0.741 | 75% | 0.746 | S | S | * | * | trans | -68.6 | 137.8 | 159.9 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2004 | T | 22 | Very low | 26.4 | Very low | 121 Ų | 121 | 128.3 Ų | 128.3 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | -172.4 | 155 | 139.1 | 12.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 2005 | N | 24.6 | Very low | 26.3 | Very low | 95 Ų | 95 | 125.9 Ų | 125.9 | 51% | 0.508 | 74% | 0.735 | S | S | . | * | trans | 51 | 101.4 | 151.9 | -62.5 | -14.3 | 0 | 0 | 0 | 121.7 | M1843 | M1843-N2005 HydrophobicContact CE-CB 3.83Å; M1843-N2005 WeakPolarHBondContact CE-ND2 3.38Å; M1843-N2005 HydrophobicContact SD-CB 4.49Å; M1843-N2005 PolarHBondContact SD-ND2 3.18Å | ||
| 2006 | H | 23.9 | Very low | 26.3 | Very low | 158 Ų | 158 | 126.5 Ų | 126.5 | 73% | 0.731 | 73% | 0.734 | S | S | * | * | 43.1 | 121 | 119.8 | -76.1 | -55.8 | 0 | 0 | 0 | 122.4 | |||||
| 2007 | R | 23.5 | Very low | 26.1 | Very low | 213 Ų | 213 | 124.8 Ų | 124.8 | 80% | 0.804 | 72% | 0.722 | S | S | * | * | trans | 63.1 | 119.2 | 130.1 | -71.2 | 179.6 | 171.1 | 175.8 | -1 | 119.7 | ||||
| 2008 | N | 24.3 | Very low | 26.2 | Very low | 152 Ų | 152 | 124 Ų | 124 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | 41 | 149.2 | 115 | -69.7 | 3.3 | 0 | 0 | 0 | 121.4 | |||||
| 2009 | P | 32.5 | Very low | 26.2 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | cis | -139.2 | -175 | -9.6 | 39.1 | -19.8 | 0 | 0 | 0 | 115 | ||||
| 2010 | S | 22.7 | Very low | 26.7 | Very low | 101 Ų | 101 | 124.4 Ų | 124.4 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | 64.6 | 128.9 | 152 | 68.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 2011 | L | 23.1 | Very low | 26.9 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 83% | 0.827 | 68% | 0.681 | S | S | * | * | -165.3 | 164.8 | 104.4 | -106.4 | 161.9 | 0 | 0 | 0 | 112.5 | |||||
| 2012 | S | 27.1 | Very low | 27.2 | Very low | 90 Ų | 90 | 124.8 Ų | 124.8 | 63% | 0.629 | 68% | 0.677 | S | S | * | * | trans | 45.2 | 95.6 | 159.8 | 63.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 2013 | V | 38.1 | Very low | 27.2 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | -83.7 | 110.7 | 116.4 | 174.9 | 0 | 0 | 0 | 0 | 106.6 | F2015 | V2013-F2015 HydrophobicContact CG1-CD2 4.42Š| |||
| 2014 | P | 34.5 | Very low | 27.3 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 66% | 0.662 | 67% | 0.671 | S | S | * | * | trans | -71.8 | 125.5 | 154 | -1.5 | 20.9 | 0 | 0 | 0 | 106.6 | ||||
| 2015 | F | 23.1 | Very low | 27.6 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 59% | 0.588 | 67% | 0.673 | S | S | * | * | cis | 48.5 | 103.2 | 23.7 | -82.3 | -83.6 | 0 | 0 | 0 | 111.5 | V2013 T2017 | V2013-F2015 HydrophobicContact CG1-CD2 4.42Å; F2015-T2017 HydrophobicContact CD1-CG2 4.19Å; F2015-T2017 VanDerWaalsContact CD1-OG1 3.23Å; F2015-T2017 WeakPolarHBondContact CD1-OG1 3.17Å; F2015-T2017 HydrophobicContact CG-CG2 4.4Å | ||
| 2016 | L | 26.4 | Very low | 27.7 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 65% | 0.649 | 68% | 0.677 | S | S | * | * | cis | -134.9 | 139.1 | 29.1 | -65.7 | 107.2 | 0 | 0 | 0 | 111.9 | ||||
| 2017 | T | 24.3 | Very low | 27.8 | Very low | 72 Ų | 72 | 127 Ų | 127 | 44% | 0.442 | 68% | 0.676 | S | S | . | * | cis | 74.7 | 136.5 | 25.1 | 85.7 | 0 | 0 | 0 | 0 | 116.7 | F2015 | F2015-T2017 HydrophobicContact CD1-CG2 4.19Å; F2015-T2017 VanDerWaalsContact CD1-OG1 3.23Å; F2015-T2017 WeakPolarHBondContact CD1-OG1 3.17Å; F2015-T2017 HydrophobicContact CG-CG2 4.4Å | ||
| 2018 | I | 26 | Very low | 28.1 | Very low | 119 Ų | 119 | 121.7 Ų | 121.7 | 61% | 0.61 | 66% | 0.664 | S | S | * | * | 35.4 | 123.2 | 128.5 | -51.7 | 162.3 | 0 | 0 | 0 | 117.4 | T2020 | I2018-T2020 HydrophobicContact CG2-CG2 3.72Š| |||
| 2019 | K | 27.1 | Very low | 28.3 | Very low | 140 Ų | 140 | 121.6 Ų | 121.6 | 61% | 0.609 | 66% | 0.656 | S | S | * | * | -165 | 135.5 | 125.4 | -96.8 | 133.1 | -153 | 176.9 | 0 | 109.2 | |||||
| 2020 | T | 38.4 | Very low | 28 | Very low | 95 Ų | 95 | 124.8 Ų | 124.8 | 58% | 0.583 | 66% | 0.659 | S | S | * | * | cis | 64.4 | 122.7 | 27.6 | 82.4 | 0 | 0 | 0 | 0 | 115.6 | I2018 | I2018-T2020 HydrophobicContact CG2-CG2 3.72Š| ||
| 2021 | P | 31.8 | Very low | 28.1 | Very low | 109 Ų | 109 | 125 Ų | 125 | 71% | 0.708 | 66% | 0.661 | S | S | * | * | -114.5 | 150.8 | 125.6 | -6.3 | 27.1 | 0 | 0 | 0 | 110.5 | |||||
| 2022 | R | 27.7 | Very low | 28.2 | Very low | 193 Ų | 193 | 128.5 Ų | 128.5 | 73% | 0.728 | 66% | 0.663 | S | S | * | * | 62.5 | 150 | 59.1 | -51 | 168.5 | 172.4 | 177.8 | -6.3 | 111.9 | |||||
| 2023 | F | 27.2 | Very low | 28.3 | Very low | 172 Ų | 172 | 129.5 Ų | 129.5 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | cis | -141 | 175.9 | 16.6 | -85.3 | -99 | 0 | 0 | 0 | 108.8 | ||||
| 2024 | S | 25.8 | Very low | 27.6 | Very low | 80 Ų | 80 | 129 Ų | 129 | 56% | 0.559 | 67% | 0.669 | S | S | * | * | cis | -174 | -175.1 | -30.4 | 62.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 2025 | N | 27.5 | Very low | 27.2 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 68% | 0.68 | S | S | * | * | trans | 70.4 | 150.8 | 165.8 | -61.4 | -1.2 | 0 | 0 | 0 | 117.4 | ||||
| 2026 | S | 26.2 | Very low | 27.2 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 60% | 0.601 | 69% | 0.689 | S | S | * | * | cis | -171.4 | 159.8 | -25.2 | 57.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2027 | Q | 26.6 | Very low | 27.2 | Very low | 152 Ų | 152 | 136.6 Ų | 136.6 | 71% | 0.71 | 70% | 0.699 | S | S | * | * | trans | 69.4 | 148 | 166.9 | -61.3 | -161 | 58.7 | 0 | 0 | 115.5 | ||||
| 2028 | N | 30.8 | Very low | 27.2 | Very low | 100 Ų | 100 | 139.3 Ų | 139.3 | 54% | 0.535 | 71% | 0.71 | S | S | . | * | cis | -140.7 | 133.7 | -7.8 | -101.5 | -21.2 | 0 | 0 | 0 | 108.4 | ||||
| 2029 | K | 28.5 | Very low | 27.3 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 66% | 0.657 | 72% | 0.716 | S | S | * | * | 62.5 | 136.5 | 96.9 | -61.7 | 178.4 | -167.4 | 131.6 | 0 | 114.3 | |||||
| 2030 | K | 25.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 76% | 0.761 | 73% | 0.728 | S | S | * | * | cis | -173.2 | 157.6 | -4.3 | -117.7 | 179 | -179.6 | -172.4 | 0 | 109.6 | ||||
| 2031 | S | 24.9 | Very low | 26.5 | Very low | 106 Ų | 106 | 145.2 Ų | 145.2 | 74% | 0.741 | 74% | 0.742 | S | S | * | * | trans | 61 | 158.5 | 149.7 | 53.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 2032 | R | 24.4 | Very low | 26.3 | Very low | 230 Ų | 230 | 143.9 Ų | 143.9 | 87% | 0.868 | 74% | 0.74 | S | S | * | * | cis | -161.9 | 156.6 | -9 | -120.8 | 173.5 | -178.8 | 172.1 | -3.3 | 107.7 | ||||
| 2033 | P | 29.7 | Very low | 26.4 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 72% | 0.721 | 75% | 0.748 | S | S | * | * | trans | -96.6 | 156.4 | 154.1 | 35.2 | -30.4 | 0 | 0 | 0 | 112.5 | ||||
| 2034 | S | 24.3 | Very low | 26.5 | Very low | 112 Ų | 112 | 141.7 Ų | 141.7 | 78% | 0.783 | 75% | 0.75 | S | S | * | * | trans | 76.4 | 139.4 | 162 | 77.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 2035 | R | 24.5 | Very low | 26.7 | Very low | 237 Ų | 237 | 142.4 Ų | 142.4 | 89% | 0.894 | 75% | 0.754 | S | S | * | * | trans | 70.7 | 132.1 | 158.2 | -75.1 | -168.6 | 173.7 | -159 | -3 | 122.1 | ||||
| 2036 | S | 23.5 | Very low | 26.6 | Very low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | 51.7 | 111.2 | 144.3 | -137.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 2037 | M | 26.7 | Very low | 26.6 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -55 | 151.3 | 143.7 | -178.1 | 168.9 | 66.6 | 0 | 0 | 110.8 | ||||
| 2038 | N | 24.9 | Very low | 26.8 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | trans | -162.6 | 152.7 | 141.4 | -120.6 | 44.1 | 0 | 0 | 0 | 111 | ||||
| 2039 | D | 27.1 | Very low | 26.7 | Very low | 138 Ų | 138 | 149 Ų | 149 | 74% | 0.738 | 78% | 0.784 | S | S | * | * | trans | 63.5 | 72.4 | 155.2 | -49.6 | -33.7 | 0 | 0 | 0 | 119.1 | ||||
| 2040 | L | 24.1 | Very low | 26.7 | Very low | 163 Ų | 163 | 149.1 Ų | 149.1 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -27.8 | 146.7 | 130.7 | -75.8 | 153.6 | 0 | 0 | 0 | 114.3 | ||||
| 2041 | M | 25.2 | Very low | 26.7 | Very low | 178 Ų | 178 | 145.5 Ų | 145.5 | 88% | 0.877 | 78% | 0.783 | S | S | * | * | 176.9 | 126.2 | 119.2 | -98.1 | -68.4 | 179 | 0 | 0 | 112.1 | |||||
| 2042 | A | 28.2 | Very low | 26.8 | Very low | 80 Ų | 80 | 149.6 Ų | 149.6 | 66% | 0.661 | 79% | 0.788 | S | S | * | * | 174.2 | 103.9 | 126.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 2043 | K | 29 | Very low | 26.9 | Very low | 207 Ų | 207 | 142.3 Ų | 142.3 | 90% | 0.9 | 78% | 0.777 | S | S | * | * | trans | 68.3 | 137.2 | 151.3 | -54.5 | 163.4 | -173.5 | 176.7 | 0 | 115.3 | ||||
| 2044 | S | 29.6 | Very low | 26.7 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | cis | -157.2 | 158.7 | 15.7 | 47.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2045 | S | 29.2 | Very low | 26.7 | Very low | 95 Ų | 95 | 144 Ų | 144 | 66% | 0.664 | 77% | 0.771 | S | S | * | * | cis | -177.3 | 140.6 | -10.3 | 46.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 2046 | L | 26.2 | Very low | 26.6 | Very low | 181 Ų | 181 | 139.9 Ų | 139.9 | 95% | 0.948 | 76% | 0.764 | S | S | * | * | trans | 45.3 | 142.5 | 155 | -73.6 | 79.3 | 0 | 0 | 0 | 120.5 | ||||
| 2047 | G | 26.7 | Very low | 26.7 | Very low | 61 Ų | 61 | 140.4 Ų | 140.4 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | cis | 169.2 | -165.1 | 1.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2048 | I | 29.9 | Very low | 26.5 | Very low | 169 Ų | 169 | 136.7 Ų | 136.7 | 87% | 0.867 | 75% | 0.753 | S | S | * | * | trans | 74.1 | 130.4 | 175.2 | -54.8 | 171.1 | 0 | 0 | 0 | 113.3 | ||||
| 2049 | R | 29 | Very low | 26.3 | Very low | 213 Ų | 213 | 137.7 Ų | 137.7 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | cis | -154.7 | 157.3 | -2.3 | -131.7 | 178.7 | 178.5 | 167.2 | 1.4 | 112.5 | ||||
| 2050 | Q | 28.1 | Very low | 26.2 | Very low | 152 Ų | 152 | 137 Ų | 137 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | trans | -2 | 127.3 | 143.1 | -74 | 155.2 | -22.9 | 0 | 0 | 118.8 | ||||
| 2051 | S | 25.8 | Very low | 26.3 | Very low | 99 Ų | 99 | 135 Ų | 135 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | 69.6 | 123.9 | 75.9 | 81.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 2052 | K | 27.5 | Very low | 26.3 | Very low | 192 Ų | 192 | 133.4 Ų | 133.4 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | -172.2 | 150.2 | 82.8 | -98 | -170.7 | 175.6 | -175.6 | 0 | 110.1 | |||||
| 2053 | A | 25.9 | Very low | 26.3 | Very low | 78 Ų | 78 | 134.8 Ų | 134.8 | 65% | 0.645 | 74% | 0.739 | S | S | * | * | 62.1 | 134.9 | 72.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 2054 | N | 26.4 | Very low | 26.2 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | cis | -163.5 | 167.2 | 6.8 | -112.5 | 28.4 | 0 | 0 | 0 | 111.5 | ||||
| 2055 | D | 23.7 | Very low | 26.1 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 74% | 0.737 | S | S | * | * | trans | 46 | 155 | 137.4 | -53.6 | -20.1 | 0 | 0 | 0 | 122.5 | ||||
| 2056 | M | 22.6 | Very low | 25.9 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | cis | -168.4 | 165.6 | -7.3 | -115.3 | -71.1 | -176.2 | 0 | 0 | 109.8 | ||||
| 2057 | T | 24.4 | Very low | 26 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 60.9 | 153 | 158.3 | 51.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 2058 | S | 22.9 | Very low | 25.9 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | cis | -173.1 | 155.5 | -21.9 | 55.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2059 | L | 21.9 | Very low | 25.6 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 73% | 0.727 | S | S | * | * | trans | 78.4 | 142.4 | 154.1 | -99.2 | 71.8 | 0 | 0 | 0 | 122.5 | ||||
| 2060 | N | 24.9 | Very low | 25.4 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 66% | 0.663 | 72% | 0.717 | S | S | * | * | trans | 87.2 | 105.6 | 144.6 | -68.7 | 0.7 | 0 | 0 | 0 | 124.1 | ||||
| 2061 | T | 24.8 | Very low | 25.3 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | 49.8 | 133.1 | 126 | 63.3 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 2062 | L | 25.9 | Very low | 25.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | cis | -178.2 | 161.6 | 47.4 | -161.3 | 69.1 | 0 | 0 | 0 | 110.5 | ||||
| 2063 | D | 27.9 | Very low | 25 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 59% | 0.588 | 73% | 0.728 | S | S | * | * | trans | 41.3 | 123.5 | 162.6 | -69.8 | -35 | 0 | 0 | 0 | 121.8 | ||||
| 2064 | K | 27.5 | Very low | 25 | Very low | 183 Ų | 183 | 147 Ų | 147 | 80% | 0.796 | 73% | 0.734 | S | S | * | * | 60.1 | 122.2 | 74.9 | -63.5 | 178.9 | -166.5 | 146.9 | 0 | 113.2 | |||||
| 2065 | Q | 26.5 | Very low | 25 | Very low | 179 Ų | 179 | 147.3 Ų | 147.3 | 84% | 0.836 | 74% | 0.74 | S | S | * | * | -149.8 | 134.2 | 65.7 | -88.1 | -176.8 | -14.7 | 0 | 0 | 116.7 | |||||
| 2066 | T | 25.5 | Very low | 25.2 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | trans | 34 | 121.5 | 138.6 | 59.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 2067 | G | 27.7 | Very low | 25.4 | Very low | 76 Ų | 76 | 150.5 Ų | 150.5 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | trans | -163.9 | 125.7 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2068 | Y | 24.3 | Very low | 25.5 | Very low | 214 Ų | 214 | 149 Ų | 149 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -85.6 | 147 | -177.4 | -83.3 | -99 | 0 | 0 | 0 | 111.2 | ||||
| 2069 | S | 24.6 | Very low | 25.7 | Very low | 73 Ų | 73 | 149.9 Ų | 149.9 | 51% | 0.51 | 76% | 0.763 | S | S | . | * | -171.1 | 129.7 | 68.6 | 55.3 | 0 | 0 | 0 | 0 | 116.8 | R1742 | R1742-S2069 PolarHBondContact NH2-O 3.26Å; R1742-S2069 PolarHBondContact NH2-OG 2.85Å | |||
| 2070 | I | 25 | Very low | 25.8 | Very low | 114 Ų | 114 | 148.9 Ų | 148.9 | 59% | 0.585 | 76% | 0.759 | S | S | * | * | 52.3 | 101.6 | 126.6 | -60 | 175.9 | 0 | 0 | 0 | 118 | R1742 | R1742-I2070 VanDerWaalsContact CZ-O 3.24Å; R1742-I2070 PolarHBondContact NH1-O 3.26Å; R1742-I2070 PolarHBondContact NH2-O 3.41Å | |||
| 2071 | R | 24.9 | Very low | 25.9 | Very low | 222 Ų | 222 | 154.3 Ų | 154.3 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | 66.5 | 124.4 | 122.3 | -158.3 | -173.9 | -155 | 163.4 | 7.6 | 119.7 | |||||
| 2072 | R | 25.1 | Very low | 25.9 | Very low | 190 Ų | 190 | 158.6 Ų | 158.6 | 72% | 0.717 | 78% | 0.778 | S | S | * | * | -163.6 | 99.7 | 114.8 | -100.8 | 179.4 | -154.4 | -148.5 | 4.5 | 111.3 | |||||
| 2073 | R | 23 | Very low | 25.9 | Very low | 244 Ų | 244 | 159.1 Ų | 159.1 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -82.6 | 147.8 | 149.3 | -70.2 | -175.5 | -179.1 | 172.9 | 0.3 | 107.6 | ||||
| 2074 | Y | 25.7 | Very low | 25.9 | Very low | 196 Ų | 196 | 160.5 Ų | 160.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | -91.8 | 127.3 | 171 | -80 | -89.3 | 0 | 0 | 0 | 110.2 | ||||
| 2075 | T | 25.5 | Very low | 25.8 | Very low | 135 Ų | 135 | 154.3 Ų | 154.3 | 83% | 0.828 | 78% | 0.783 | S | S | * | * | trans | -135.5 | 127.2 | 155.1 | 46.3 | 0 | 0 | 0 | 0 | 106.9 | Y2077 | T2075-Y2077 PolarHBondContact O-N 3.12Š| ||
| 2076 | T | 29.1 | Very low | 25.8 | Very low | 124 Ų | 124 | 152 Ų | 152 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | -93.3 | 102.1 | -168.2 | 40.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 2077 | Y | 27.3 | Very low | 25.7 | Very low | 222 Ų | 222 | 156.6 Ų | 156.6 | 87% | 0.871 | 78% | 0.778 | S | S | * | * | trans | 51.2 | 89.6 | 147.2 | -69.7 | -83.2 | 0 | 0 | 0 | 118.6 | T2075 | T2075-Y2077 PolarHBondContact O-N 3.12Š| ||
| 2078 | A | 26.2 | Very low | 25.6 | Very low | 90 Ų | 90 | 158.4 Ų | 158.4 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | -76.8 | 145.2 | 139.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N2080 | A2078-N2080 PolarHBondContact O-N 3.09Š| ||
| 2079 | A | 25.9 | Very low | 25.6 | Very low | 113 Ų | 113 | 156.2 Ų | 156.2 | 93% | 0.934 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -82.7 | 89.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 2080 | N | 25.2 | Very low | 25.6 | Very low | 127 Ų | 127 | 158.3 Ų | 158.3 | 68% | 0.679 | 79% | 0.786 | S | S | * | * | trans | -150.7 | 83.1 | 176.4 | -159.3 | -13.5 | 0 | 0 | 0 | 111.1 | A2078 | A2078-N2080 PolarHBondContact O-N 3.09Š| ||
| 2081 | R | 26.1 | Very low | 25.6 | Very low | 238 Ų | 238 | 159.2 Ų | 159.2 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -167.1 | 61.3 | 177.1 | -120.2 | 173.3 | -161.1 | -140.2 | -1.1 | 115.9 | ||||
| 2082 | F | 25.7 | Very low | 25.7 | Very low | 210 Ų | 210 | 155.9 Ų | 155.9 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | trans | -111.2 | 87.9 | 149.9 | -90.9 | -77 | 0 | 0 | 0 | 109 | ||||
| 2083 | N | 25.1 | Very low | 25.7 | Very low | 156 Ų | 156 | 158.4 Ų | 158.4 | 83% | 0.834 | 80% | 0.799 | S | S | * | * | trans | -148.2 | 67.6 | 176.4 | -137.4 | -24.7 | 0 | 0 | 0 | 108.8 | ||||
| 2084 | V | 27.7 | Very low | 25.9 | Very low | 138 Ų | 138 | 152.8 Ų | 152.8 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -92.9 | 99.6 | 165.3 | -180 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 2085 | G | 25.9 | Very low | 25.8 | Very low | 54 Ų | 54 | 152.2 Ų | 152.2 | 56% | 0.557 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 161.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | R2087 | G2085-R2087 PolarHBondContact O-N 3.29Å; G2085-R2087 VanDerWaalsContact O-N 3.09Å |
| 2086 | L | 26.2 | Very low | 25.9 | Very low | 129 Ų | 129 | 150 Ų | 150 | 68% | 0.675 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 116.6 | 176.2 | -78.3 | 156.4 | 0 | 0 | 0 | 111.3 | R1230 | R1230-L2086 VanDerWaalsContact CZ-CD1 3.47Š|
| 2087 | R | 24.3 | Very low | 25.9 | Very low | 224 Ų | 224 | 153.7 Ų | 153.7 | 85% | 0.845 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 120 | 163.6 | -172 | -175.5 | -161.9 | 172.6 | 4.3 | 106.4 | G2085 E2089 | G2085-R2087 PolarHBondContact O-N 3.29Å; G2085-R2087 VanDerWaalsContact O-N 3.09Å; R2087-E2089 PolarHBondContact O-N 2.77Å |
| 2088 | P | 24.2 | Very low | 25.8 | Very low | 113 Ų | 113 | 151 Ų | 151 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 126.7 | 170.8 | 27.3 | -32.4 | 0 | 0 | 0 | 108.4 | P2090 | P2088-P2090 WeakPolarHBondContact O-CD 2.97Š|
| 2089 | E | 25 | Very low | 25.7 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 126.4 | 172.7 | -74.1 | -126.4 | 121.4 | 0 | 0 | 110 | R2087 L2091 | R2087-E2089 PolarHBondContact O-N 2.77Å; E2089-L2091 PolarHBondContact O-N 3.24Å; E2089-L2091 VanDerWaalsContact O-N 3.12Å |
| 2090 | P | 25.3 | Very low | 25.7 | Very low | 118 Ų | 118 | 156.6 Ų | 156.6 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -79.5 | 89.4 | 166.2 | 32.5 | -30.9 | 0 | 0 | 0 | 108.9 | P2088 N2092 | P2088-P2090 WeakPolarHBondContact O-CD 2.97Å; P2090-N2092 PolarHBondContact O-N 3.13Å | ||
| 2091 | L | 24.8 | Very low | 25.6 | Very low | 133 Ų | 133 | 156.1 Ų | 156.1 | 70% | 0.696 | 79% | 0.788 | S | S | * | * | trans | -64.6 | 81.1 | 165.1 | -91.7 | 167.3 | 0 | 0 | 0 | 109.9 | E2089 | E2089-L2091 PolarHBondContact O-N 3.24Å; E2089-L2091 VanDerWaalsContact O-N 3.12Å | ||
| 2092 | N | 25.4 | Very low | 25.6 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | trans | 172.2 | 112.6 | 147.2 | -93.6 | -40.9 | 0 | 0 | 0 | 111.9 | P2090 | P2090-N2092 PolarHBondContact O-N 3.13Š| ||
| 2093 | R | 26.8 | Very low | 25.6 | Very low | 243 Ų | 243 | 148.2 Ų | 148.2 | 92% | 0.917 | 78% | 0.777 | S | S | * | * | trans | -148.8 | 109.9 | 150.6 | -90.5 | -163.2 | 177.5 | -173.2 | -2.2 | 110.6 | ||||
| 2094 | P | 25.9 | Very low | 25.7 | Very low | 126 Ų | 126 | 147.8 Ų | 147.8 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -72.1 | 152.1 | 168.3 | 31.2 | -33.9 | 0 | 0 | 0 | 110.5 | ||||
| 2095 | L | 24 | Very low | 25.6 | Very low | 184 Ų | 184 | 148.3 Ų | 148.3 | 96% | 0.963 | 77% | 0.771 | S | S | * | * | trans | -118.3 | 89.1 | 176.3 | -97.3 | 169.7 | 0 | 0 | 0 | 111.3 | ||||
| 2096 | A | 27.7 | Very low | 25.5 | Very low | 90 Ų | 90 | 153.9 Ų | 153.9 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | -152.8 | 135.2 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 2097 | K | 29.6 | Very low | 25.5 | Very low | 201 Ų | 201 | 155.4 Ų | 155.4 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | cis | -128.9 | 173.3 | 2.9 | -67.1 | -178.6 | 177.7 | 175 | 0 | 111.1 | ||||
| 2098 | E | 25.2 | Very low | 25.6 | Very low | 166 Ų | 166 | 150.9 Ų | 150.9 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -65 | 144 | 168.9 | -53.9 | 151.1 | 115 | 0 | 0 | 111.5 | ||||
| 2099 | N | 23.6 | Very low | 25.7 | Very low | 138 Ų | 138 | 153.6 Ų | 153.6 | 74% | 0.738 | 79% | 0.79 | S | S | * | * | 160.3 | 155.4 | 114.1 | -87.1 | -67.2 | 0 | 0 | 0 | 112.3 | |||||
| 2100 | Q | 26.9 | Very low | 25.7 | Very low | 182 Ų | 182 | 152.5 Ų | 152.5 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 64.9 | 115.3 | -179.5 | -58.2 | 173.4 | -6.6 | 0 | 0 | 113.8 | ||||
| 2101 | F | 22.7 | Very low | 25.8 | Very low | 116 Ų | 116 | 155.3 Ų | 155.3 | 51% | 0.509 | 79% | 0.793 | S | S | . | * | cis | 90.8 | 50.1 | 43.6 | -76.5 | -109.7 | 0 | 0 | 0 | 117 | L1727 L1728 | L1727-F2101 HydrophobicContact CB-CB 4.24Å; L1727-F2101 HydrophobicContact CB-CD1 3.44Å; L1727-F2101 VanDerWaalsContact CB-CD1 3.44Å; L1727-F2101 HydrophobicContact CB-CD2 4.4Å; L1727-F2101 HydrophobicContact CB-CE1 3.84Å; L1727-F2101 HydrophobicContact CB-CG 3.77Å; L1727-F2101 HydrophobicContact CB-CZ 4.48Å; L1727-F2101 HydrophobicContact CD1-CD2 4.12Å; L1727-F2101 HydrophobicContact CD1-CG 4.19Å; L1727-F2101 HydrophobicContact CG-CG 4.46Å; L1728-F2101 HydrophobicContact CB-CE1 3.82Å; L1728-F2101 HydrophobicContact CB-CZ 3.77Å; L1728-F2101 HydrophobicContact CD1-CE2 4.02Å; L1728-F2101 HydrophobicContact CD1-CZ 3.75Å; L1728-F2101 HydrophobicContact CG-CE1 4.33Å; L1728-F2101 HydrophobicContact CG-CE2 4.33Å; L1728-F2101 HydrophobicContact CG-CZ 3.92Å | ||
| 2102 | T | 26.7 | Very low | 25.9 | Very low | 134 Ų | 134 | 157.4 Ų | 157.4 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -138.7 | 0 | 138.1 | 59.2 | 0 | 0 | 0 | 0 | 109.7 | N1726 L1727 | N1726-T2102 VanDerWaalsContact CB-OXT 3.31Å; N1726-T2102 WeakPolarHBondContact CB-OXT 3.39Å; L1727-T2102 VanDerWaalsContact CD2-OXT 3.28Å; L1727-T2102 WeakPolarHBondContact CD2-OXT 3.38Å; L1727-T2102 VanDerWaalsContact CG-OXT 3.32Å; L1727-T2102 WeakPolarHBondContact CG-OXT 3.49Å; L1727-T2102 PolarHBondContact N-OXT 3.27Å |
Retrieved 2,102 of 2,102 residues in 2563.3 ms
(Link to these results)