| 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 | 39.7 | Very low | 75 | Confident | 233 Ų | 233 | 89.5 Ų | 89.5 | 100% | 1.148 | 51% | 0.51 | S | S | * | . | 0 | 134.9 | 0 | -63.3 | -173.5 | -160.3 | 0 | 0 | 107.6 | A3 | M1-A3 PolarHBondContact O-N 2.81Š| |||
| 2 | P | 50.3 | Low | 76.4 | Confident | 74 Ų | 74 | 86.5 Ų | 86.5 | 48% | 0.481 | 50% | 0.504 | S | S | . | . | trans | -58.2 | 135.3 | 171.9 | 23.6 | -29.6 | 0 | 0 | 0 | 109.3 | V4 | P2-V4 PolarHBondContact O-N 2.58Š| ||
| 3 | A | 56.8 | Low | 77.6 | Confident | 44 Ų | 44 | 81.9 Ų | 81.9 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -70.6 | 109.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | M1 F42 H45 | M1-A3 PolarHBondContact O-N 2.81Å; A3-F42 HydrophobicContact CB-CD1 4.18Å; A3-F42 HydrophobicContact CB-CE1 3.99Å; A3-H45 PolarHBondContact O-CD2 3.23Å | ||
| 4 | V | 67.6 | Low | 78.6 | Confident | 88 Ų | 88 | 76.9 Ų | 76.9 | 53% | 0.533 | 45% | 0.446 | S | S | . | . | trans | -74.9 | -25.1 | -175.6 | 175.6 | 0 | 0 | 0 | 0 | 112.4 | P2 D76 | P2-V4 PolarHBondContact O-N 2.58Å; V4-D76 WeakPolarHBondContact CG1-OD2 3.24Å | ||
| 5 | S | 74.4 | Confident | 79.5 | Confident | 100 Ų | 100 | 80 Ų | 80 | 70% | 0.699 | 45% | 0.452 | S | S | * | . | S | Bend | trans | -120.3 | 135.3 | -179.3 | -176.1 | 0 | 0 | 0 | 0 | 111.4 | ||
| 6 | L | 87.1 | Confident | 80.3 | Confident | 17 Ų | 17 | 83.6 Ų | 83.6 | 9% | 0.089 | 46% | 0.456 | C | S | . | . | trans | -79.1 | 142.4 | 178.7 | -68.7 | 173.3 | 0 | 0 | 0 | 112.4 | E10 N11 F14 I36 F42 | L6-E10 HydrophobicContact CB-CB 4.17Å; L6-E10 HydrophobicContact CD1-CB 4.48Å; L6-E10 HydrophobicContact CD2-CB 3.94Å; L6-E10 HydrophobicContact CG-CB 4.42Å; L6-N11 HydrophobicContact CB-CB 4.16Å; L6-F14 HydrophobicContact CD1-CB 3.64Å; L6-F14 HydrophobicContact CD1-CD2 4.26Å; L6-F14 HydrophobicContact CD1-CG 3.96Å; L6-I36 HydrophobicContact CD1-CD1 4.43Å; L6-I36 HydrophobicContact CD2-CG2 4.1Å; L6-F42 HydrophobicContact CD2-CB 4.38Å; L6-F42 HydrophobicContact CD2-CD1 3.86Å; L6-F42 HydrophobicContact CD2-CE1 4.33Å; L6-F42 HydrophobicContact CD2-CG 4.01Å | ||
| 7 | P | 89.4 | Confident | 81.1 | Confident | 52 Ų | 52 | 78.6 Ų | 78.6 | 34% | 0.338 | 43% | 0.429 | S | S | . | . | trans | -64.3 | 164.8 | 168 | -17.3 | 29.2 | 0 | 0 | 0 | 112.5 | K9 E10 N11 F42 | P7-K9 VanDerWaalsContact C-N 3.3Å; P7-K9 PolarHBondContact O-N 3.41Å; P7-K9 VanDerWaalsContact O-N 3.14Å; P7-E10 PolarHBondContact O-N 3.31Å; P7-N11 VanDerWaalsContact O-CB 3.24Å; P7-N11 WeakPolarHBondContact O-CB 3.44Å; P7-N11 PolarHBondContact O-N 3.27Å; P7-F42 HydrophobicContact CG-CE1 4.23Å; P7-F42 HydrophobicContact CG-CE2 4.21Å; P7-F42 HydrophobicContact CG-CZ 3.49Å; P7-F42 VanDerWaalsContact CG-CZ 3.49Å | ||
| 8 | P | 89.9 | Confident | 81.5 | Confident | 116 Ų | 116 | 77.7 Ų | 77.7 | 75% | 0.753 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -54.1 | -38.1 | -173.5 | -28.3 | 35 | 0 | 0 | 0 | 115.4 | A12 | P8-A12 PolarHBondContact O-N 3.09Å |
| 9 | K | 89.2 | Confident | 82 | Confident | 163 Ų | 163 | 82.4 Ų | 82.4 | 71% | 0.709 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -69.8 | -49.1 | -179.3 | -174.5 | -178.8 | 178.2 | -178.3 | 0 | 111.5 | P7 N11 A12 L13 | P7-K9 VanDerWaalsContact C-N 3.3Å; P7-K9 PolarHBondContact O-N 3.41Å; P7-K9 VanDerWaalsContact O-N 3.14Å; K9-N11 VanDerWaalsContact C-N 3.34Å; K9-A12 WeakPolarHBondContact O-CB 3.35Å; K9-A12 PolarHBondContact O-N 3.44Å; K9-L13 PolarHBondContact O-N 3.11Å |
| 10 | E | 90 | Very high | 82.5 | Confident | 36 Ų | 36 | 78.7 Ų | 78.7 | 17% | 0.168 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.9 | -32.2 | 176.4 | -69.5 | 78.4 | -178.5 | 0 | 0 | 112 | L6 P7 L13 F14 F42 | L6-E10 HydrophobicContact CB-CB 4.17Å; L6-E10 HydrophobicContact CD1-CB 4.48Å; L6-E10 HydrophobicContact CD2-CB 3.94Å; L6-E10 HydrophobicContact CG-CB 4.42Å; P7-E10 PolarHBondContact O-N 3.31Å; E10-L13 WeakPolarHBondContact O-CB 3.42Å; E10-L13 PolarHBondContact O-N 2.95Å; E10-F14 WeakPolarHBondContact O-CB 3.27Å; E10-F14 PolarHBondContact O-N 3.49Å; E10-F42 HydrophobicContact CG-CD2 4Å; E10-F42 HydrophobicContact CG-CE2 3.89Å |
| 11 | N | 90.7 | Very high | 82.8 | Confident | 61 Ų | 61 | 77.7 Ų | 77.7 | 33% | 0.326 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 173.2 | -169.3 | 8.1 | 0 | 0 | 0 | 111.4 | L6 P7 K9 L13 F14 K15 | L6-N11 HydrophobicContact CB-CB 4.16Å; P7-N11 VanDerWaalsContact O-CB 3.24Å; P7-N11 WeakPolarHBondContact O-CB 3.44Å; P7-N11 PolarHBondContact O-N 3.27Å; K9-N11 VanDerWaalsContact C-N 3.34Å; N11-L13 VanDerWaalsContact C-N 3.32Å; N11-L13 PolarHBondContact O-N 2.9Å; N11-F14 PolarHBondContact O-N 2.81Å; N11-K15 WeakPolarHBondContact O-CG 3.4Å; N11-K15 PolarHBondContact O-N 3.02Å |
| 12 | A | 91.4 | Very high | 85.1 | Confident | 54 Ų | 54 | 73.5 Ų | 73.5 | 45% | 0.446 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | P8 K9 R16 | P8-A12 PolarHBondContact O-N 3.09Å; K9-A12 WeakPolarHBondContact O-CB 3.35Å; K9-A12 PolarHBondContact O-N 3.44Å; A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 3.39Å |
| 13 | L | 92.3 | Very high | 87 | Confident | 27 Ų | 27 | 76.1 Ų | 76.1 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 171.5 | -81.2 | 146.8 | 0 | 0 | 0 | 111.7 | K9 E10 N11 R16 I17 F32 Q35 I36 | K9-L13 PolarHBondContact O-N 3.11Å; E10-L13 WeakPolarHBondContact O-CB 3.42Å; E10-L13 PolarHBondContact O-N 2.95Å; N11-L13 VanDerWaalsContact C-N 3.32Å; N11-L13 PolarHBondContact O-N 2.9Å; L13-R16 WeakPolarHBondContact O-CB 3.4Å; L13-R16 PolarHBondContact O-N 3Å; L13-R16 VanDerWaalsContact O-N 3.12Å; L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.81Å; L13-F32 HydrophobicContact CD2-CB 4.43Å; L13-F32 HydrophobicContact CD2-CD1 3.85Å; L13-F32 HydrophobicContact CD2-CG 4.43Å; L13-Q35 HydrophobicContact CD2-CB 4.46Å; L13-I36 HydrophobicContact CB-CD1 3.89Å; L13-I36 HydrophobicContact CB-CG1 3.96Å |
| 14 | F | 92.3 | Very high | 88.6 | Confident | 11 Ų | 11 | 81.1 Ų | 81.1 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -63.3 | -43.4 | 178.7 | -172.6 | -104.8 | 0 | 0 | 0 | 112.9 | L6 E10 N11 R16 I17 L18 I36 E47 T48 M51 V81 | L6-F14 HydrophobicContact CD1-CB 3.64Å; L6-F14 HydrophobicContact CD1-CD2 4.26Å; L6-F14 HydrophobicContact CD1-CG 3.96Å; E10-F14 WeakPolarHBondContact O-CB 3.27Å; E10-F14 PolarHBondContact O-N 3.49Å; N11-F14 PolarHBondContact O-N 2.81Å; F14-R16 VanDerWaalsContact C-N 3.25Å; F14-R16 PolarHBondContact O-N 3.27Å; F14-I17 HydrophobicContact CD2-CD1 4.35Å; F14-I17 VanDerWaalsContact O-CB 3.32Å; F14-I17 WeakPolarHBondContact O-CB 3.5Å; F14-I17 PolarHBondContact O-N 3.16Å; F14-L18 HydrophobicContact CD1-CD1 4.3Å; F14-L18 HydrophobicContact CE1-CD1 3.98Å; F14-L18 HydrophobicContact CE1-CG 4.37Å; F14-L18 PolarHBondContact O-N 3.29Å; F14-L18 VanDerWaalsContact O-N 3.12Å; F14-I36 HydrophobicContact CB-CD1 4.06Å; F14-E47 HydrophobicContact CE2-CB 3.92Å; F14-E47 HydrophobicContact CZ-CB 3.65Å; F14-T48 WeakPolarHBondContact CD2-OG1 3.41Å; F14-M51 HydrophobicContact CE2-CB 4.38Å; F14-M51 HydrophobicContact CE2-CG 3.84Å; F14-M51 HydrophobicContact CZ-CG 3.95Å; F14-V81 HydrophobicContact CZ-CG1 4.31Å |
| 15 | K | 91.6 | Very high | 89.8 | Confident | 124 Ų | 124 | 81.6 Ų | 81.6 | 54% | 0.539 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.9 | -33.4 | 172.4 | -70.6 | -178.8 | -179.5 | -176.9 | 0 | 112.8 | N11 L18 R19 | N11-K15 WeakPolarHBondContact O-CG 3.4Å; N11-K15 PolarHBondContact O-N 3.02Å; K15-L18 PolarHBondContact O-N 2.93Å; K15-R19 PolarHBondContact O-N 3.27Å |
| 16 | R | 92.9 | Very high | 90.7 | Very high | 137 Ų | 137 | 78.2 Ų | 78.2 | 52% | 0.517 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -68.6 | -35.9 | 173 | -69 | 175.3 | 75.8 | 174.2 | 7.6 | 112 | A12 L13 F14 R19 C20 F32 | A12-R16 WeakPolarHBondContact O-CG 3.47Å; A12-R16 PolarHBondContact O-N 3.39Å; L13-R16 WeakPolarHBondContact O-CB 3.4Å; L13-R16 PolarHBondContact O-N 3Å; L13-R16 VanDerWaalsContact O-N 3.12Å; F14-R16 VanDerWaalsContact C-N 3.25Å; F14-R16 PolarHBondContact O-N 3.27Å; R16-R19 PolarHBondContact O-N 2.94Å; R16-C20 WeakPolarHBondContact O-CB 3.37Å; R16-C20 PolarHBondContact O-N 3.37Å; R16-C20 PolarHBondContact O-SG 3.35Å; R16-F32 HydrophobicContact CB-CD2 4.31Å; R16-F32 HydrophobicContact CB-CE2 4.47Å |
| 17 | I | 93.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 87 Ų | 87 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -59.5 | -47.3 | 174 | -65.2 | 164.5 | 0 | 0 | 0 | 110.3 | L13 F14 R19 C20 Y21 F32 C33 I36 T48 M51 | L13-I17 WeakPolarHBondContact O-CG1 3.48Å; L13-I17 PolarHBondContact O-N 2.81Å; F14-I17 HydrophobicContact CD2-CD1 4.35Å; F14-I17 VanDerWaalsContact O-CB 3.32Å; F14-I17 WeakPolarHBondContact O-CB 3.5Å; F14-I17 PolarHBondContact O-N 3.16Å; I17-R19 PolarHBondContact O-N 2.7Å; I17-C20 WeakPolarHBondContact O-CB 3.36Å; I17-C20 PolarHBondContact O-N 2.89Å; I17-Y21 PolarHBondContact O-N 3.44Å; I17-F32 HydrophobicContact CD1-CB 4.18Å; I17-F32 HydrophobicContact CG1-CB 3.56Å; I17-C33 HydrophobicContact CD1-CB 4.28Å; I17-C33 VanDerWaalsContact CG2-SG 3.58Å; I17-I36 HydrophobicContact CD1-CD1 3.63Å; I17-T48 HydrophobicContact CD1-CG2 4.3Å; I17-M51 HydrophobicContact CG2-CB 3.94Å; I17-M51 HydrophobicContact CG2-CE 4.32Å |
| 18 | L | 89.4 | Confident | 91 | Very high | 61 Ų | 61 | 88 Ų | 88 | 32% | 0.319 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -58.4 | -47.9 | 177.4 | -68.4 | 170.6 | 0 | 0 | 0 | 112 | F14 K15 C20 Y21 E22 M51 | F14-L18 HydrophobicContact CD1-CD1 4.3Å; F14-L18 HydrophobicContact CE1-CD1 3.98Å; F14-L18 HydrophobicContact CE1-CG 4.37Å; F14-L18 PolarHBondContact O-N 3.29Å; F14-L18 VanDerWaalsContact O-N 3.12Å; K15-L18 PolarHBondContact O-N 2.93Å; L18-C20 VanDerWaalsContact C-N 3.35Å; L18-C20 PolarHBondContact O-N 3.25Å; L18-Y21 WeakPolarHBondContact O-CB 3.46Å; L18-Y21 PolarHBondContact O-N 3.46Å; L18-Y21 VanDerWaalsContact O-N 3.11Å; L18-E22 PolarHBondContact O-N 3.03Å; L18-M51 HydrophobicContact CD2-CE 3.73Å; L18-M51 HydrophobicContact CD2-CG 4.26Å; L18-M51 HydrophobicContact CD2-SD 3.67Å |
| 19 | R | 90.1 | Very high | 91.2 | Very high | 167 Ų | 167 | 82.5 Ų | 82.5 | 63% | 0.63 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -62.6 | -39.1 | 176 | -70.7 | -178.1 | -179.1 | -179.2 | -0.5 | 113 | K15 R16 I17 Y21 E22 H23 | K15-R19 PolarHBondContact O-N 3.27Å; R16-R19 PolarHBondContact O-N 2.94Å; I17-R19 PolarHBondContact O-N 2.7Å; R19-Y21 PolarHBondContact O-N 3.3Å; R19-E22 PolarHBondContact O-N 3Å; R19-H23 WeakPolarHBondContact O-CB 3.35Å; R19-H23 PolarHBondContact O-CD2 2.78Å; R19-H23 PolarHBondContact O-N 3.41Å |
| 20 | C | 91.3 | Very high | 91.4 | Very high | 8 Ų | 8 | 76.6 Ų | 76.6 | 5% | 0.054 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.6 | -37.5 | 175 | -75.8 | 0 | 0 | 0 | 0 | 111 | R16 I17 L18 K24 Q25 | R16-C20 WeakPolarHBondContact O-CB 3.37Å; R16-C20 PolarHBondContact O-N 3.37Å; R16-C20 PolarHBondContact O-SG 3.35Å; I17-C20 WeakPolarHBondContact O-CB 3.36Å; I17-C20 PolarHBondContact O-N 2.89Å; L18-C20 VanDerWaalsContact C-N 3.35Å; L18-C20 PolarHBondContact O-N 3.25Å; C20-K24 CarbonylContact O-C 3.59Å; C20-K24 PolarHBondContact O-N 3.08Å; C20-Q25 HydrophobicContact CB-CB 4.27Å; C20-Q25 WeakPolarHBondContact O-CA 3.46Å; C20-Q25 PolarHBondContact O-N 3.05Å |
| 21 | Y | 89.4 | Confident | 91.6 | Very high | 58 Ų | 58 | 81.2 Ų | 81.2 | 23% | 0.227 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.4 | -48.3 | 174.8 | -178 | -104.1 | 0 | 0 | 0 | 111.9 | I17 L18 R19 H23 K24 Y26 M51 L54 | I17-Y21 PolarHBondContact O-N 3.44Å; L18-Y21 WeakPolarHBondContact O-CB 3.46Å; L18-Y21 PolarHBondContact O-N 3.46Å; L18-Y21 VanDerWaalsContact O-N 3.11Å; R19-Y21 PolarHBondContact O-N 3.3Å; Y21-H23 VanDerWaalsContact C-N 3.27Å; Y21-H23 PolarHBondContact O-N 3.44Å; Y21-K24 PolarHBondContact O-N 3.29Å; Y21-Y26 HydrophobicContact CD2-CD1 4.32Å; Y21-Y26 AromaticContact CD2-CE1 3.95Å; Y21-Y26 HydrophobicContact CD2-CE1 3.95Å; Y21-Y26 HydrophobicContact CE2-CE1 4.11Å; Y21-M51 HydrophobicContact CD1-CE 4.42Å; Y21-M51 HydrophobicContact CG-CE 4.12Å; Y21-L54 HydrophobicContact CD1-CD2 4.37Å; Y21-L54 HydrophobicContact CD2-CD2 4.44Å; Y21-L54 HydrophobicContact CD2-CG 4.43Å; Y21-L54 HydrophobicContact CE1-CD2 3.78Å; Y21-L54 HydrophobicContact CE1-CG 4.47Å; Y21-L54 HydrophobicContact CE2-CD2 3.87Å; Y21-L54 HydrophobicContact CE2-CG 3.69Å |
| 22 | E | 87.3 | Confident | 91.8 | Very high | 145 Ų | 145 | 79.9 Ų | 79.9 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -56.9 | -38.6 | 177.3 | -74.1 | 176.3 | 178.3 | 0 | 0 | 112.9 | L18 R19 K24 | L18-E22 PolarHBondContact O-N 3.03Å; R19-E22 PolarHBondContact O-N 3Å; E22-K24 VanDerWaalsContact C-N 3.32Å |
| 23 | H | 91.1 | Very high | 91.9 | Very high | 129 Ų | 129 | 77.3 Ų | 77.3 | 60% | 0.597 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | 11.6 | 177.5 | -63.8 | -55.3 | 0 | 0 | 0 | 114 | R19 Y21 Q25 | R19-H23 WeakPolarHBondContact O-CB 3.35Å; R19-H23 PolarHBondContact O-CD2 2.78Å; R19-H23 PolarHBondContact O-N 3.41Å; Y21-H23 VanDerWaalsContact C-N 3.27Å; Y21-H23 PolarHBondContact O-N 3.44Å; H23-Q25 HydrophobicContact CB-CG 4.22Å; H23-Q25 PolarHBondContact O-N 3.13Å; H23-Q25 VanDerWaalsContact O-N 3.12Å |
| 24 | K | 91.1 | Very high | 92 | Very high | 149 Ų | 149 | 83.3 Ų | 83.3 | 65% | 0.648 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 23.6 | -179.7 | -54 | -174.2 | 176.4 | -173.2 | 0 | 114.9 | C20 Y21 E22 Y26 | C20-K24 CarbonylContact O-C 3.59Å; C20-K24 PolarHBondContact O-N 3.08Å; Y21-K24 PolarHBondContact O-N 3.29Å; E22-K24 VanDerWaalsContact C-N 3.32Å; K24-Y26 VanDerWaalsContact C-N 3.27Å; K24-Y26 HydrophobicContact CB-CE1 4.37Å; K24-Y26 HydrophobicContact CB-CE2 4.17Å; K24-Y26 PolarHBondContact O-N 3.39Å |
| 25 | Q | 92.4 | Very high | 92.1 | Very high | 98 Ų | 98 | 87.7 Ų | 87.7 | 46% | 0.458 | 38% | 0.382 | S | S | . | . | trans | -85.5 | 59.6 | 177 | -62.1 | -178.6 | -2 | 0 | 0 | 111.8 | C20 H23 R27 N28 G29 | C20-Q25 HydrophobicContact CB-CB 4.27Å; C20-Q25 WeakPolarHBondContact O-CA 3.46Å; C20-Q25 PolarHBondContact O-N 3.05Å; H23-Q25 HydrophobicContact CB-CG 4.22Å; H23-Q25 PolarHBondContact O-N 3.13Å; H23-Q25 VanDerWaalsContact O-N 3.12Å; Q25-R27 PolarHBondContact O-N 3.41Å; Q25-N28 HydrophobicContact CB-CB 4.49Å; Q25-N28 PolarHBondContact O-N 2.95Å; Q25-G29 PolarHBondContact O-N 3.03Å | ||
| 26 | Y | 92.6 | Very high | 92.1 | Very high | 30 Ų | 30 | 81.9 Ų | 81.9 | 12% | 0.118 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | -167.7 | -54.6 | -51 | 0 | 0 | 0 | 114.1 | Y21 K24 N28 G29 L30 T55 C58 L59 | Y21-Y26 HydrophobicContact CD2-CD1 4.32Å; Y21-Y26 AromaticContact CD2-CE1 3.95Å; Y21-Y26 HydrophobicContact CD2-CE1 3.95Å; Y21-Y26 HydrophobicContact CE2-CE1 4.11Å; K24-Y26 VanDerWaalsContact C-N 3.27Å; K24-Y26 HydrophobicContact CB-CE1 4.37Å; K24-Y26 HydrophobicContact CB-CE2 4.17Å; K24-Y26 PolarHBondContact O-N 3.39Å; Y26-N28 VanDerWaalsContact C-N 3.3Å; Y26-N28 PolarHBondContact O-N 3.12Å; Y26-G29 PolarHBondContact O-N 3.49Å; Y26-L30 WeakPolarHBondContact O-CG 3.4Å; Y26-L30 PolarHBondContact O-N 3.06Å; Y26-T55 HydrophobicContact CD1-CG2 4.03Å; Y26-T55 HydrophobicContact CG-CG2 4.28Å; Y26-T55 WeakPolarHBondContact O-CG2 3.14Å; Y26-C58 HydrophobicContact CD1-CB 4.24Å; Y26-C58 HydrophobicContact CD2-CB 4.33Å; Y26-C58 HydrophobicContact CE1-CB 3.81Å; Y26-C58 HydrophobicContact CE2-CB 3.91Å; Y26-C58 HydrophobicContact CG-CB 4.48Å; Y26-L59 HydrophobicContact CD2-CD2 4.05Å; Y26-L59 HydrophobicContact CD2-CG 4.49Å; Y26-L59 HydrophobicContact CG-CD2 4.4Å |
| 27 | R | 92.1 | Very high | 92.1 | Very high | 202 Ų | 202 | 76.5 Ų | 76.5 | 76% | 0.762 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -61.3 | -37.4 | 179.6 | -65.9 | -174.4 | -176.7 | -179.6 | 2.2 | 112.5 | Q25 K31 | Q25-R27 PolarHBondContact O-N 3.41Å; R27-K31 WeakPolarHBondContact O-CG 3.44Å; R27-K31 PolarHBondContact O-N 3.42Å |
| 28 | N | 91.9 | Very high | 92.1 | Very high | 72 Ų | 72 | 80.7 Ų | 80.7 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -72.9 | -41.3 | 176 | -72.4 | -18.8 | 0 | 0 | 0 | 111.2 | Q25 Y26 L30 K31 F32 | Q25-N28 HydrophobicContact CB-CB 4.49Å; Q25-N28 PolarHBondContact O-N 2.95Å; Y26-N28 VanDerWaalsContact C-N 3.3Å; Y26-N28 PolarHBondContact O-N 3.12Å; N28-L30 VanDerWaalsContact C-N 3.33Å; N28-L30 PolarHBondContact O-N 2.93Å; N28-K31 WeakPolarHBondContact O-CB 3.41Å; N28-K31 PolarHBondContact O-N 3.03Å; N28-K31 VanDerWaalsContact O-N 3.16Å; N28-F32 HydrophobicContact CB-CE2 4.44Å; N28-F32 VanDerWaalsContact O-CD2 3.31Å; N28-F32 WeakPolarHBondContact O-CD2 3.28Å; N28-F32 PolarHBondContact O-N 3.33Å; N28-F32 VanDerWaalsContact O-N 3.09Å |
| 29 | G | 93.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 80.1 Ų | 80.1 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -53 | -48.8 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q25 Y26 K31 F32 C33 | Q25-G29 PolarHBondContact O-N 3.03Å; Y26-G29 PolarHBondContact O-N 3.49Å; G29-K31 VanDerWaalsContact C-N 3.34Å; G29-K31 PolarHBondContact O-N 3.28Å; G29-F32 PolarHBondContact O-N 3.09Å; G29-C33 PolarHBondContact O-N 3.09Å; G29-C33 PolarHBondContact O-SG 3.1Å |
| 30 | L | 93.8 | Very high | 92 | Very high | 39 Ų | 39 | 77.8 Ų | 77.8 | 20% | 0.204 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -37.4 | 178.1 | -68.3 | -179 | 0 | 0 | 0 | 113.6 | Y26 N28 C33 K34 K52 T55 L56 L59 | Y26-L30 WeakPolarHBondContact O-CG 3.4Å; Y26-L30 PolarHBondContact O-N 3.06Å; N28-L30 VanDerWaalsContact C-N 3.33Å; N28-L30 PolarHBondContact O-N 2.93Å; L30-C33 PolarHBondContact O-N 3.04Å; L30-K34 PolarHBondContact O-N 3.32Å; L30-K52 HydrophobicContact CD2-CG 4.03Å; L30-T55 HydrophobicContact CD2-CG2 3.72Å; L30-T55 HydrophobicContact CG-CG2 3.74Å; L30-L56 HydrophobicContact CD1-CD2 3.92Å; L30-L56 HydrophobicContact CD2-CD2 4.06Å; L30-L56 HydrophobicContact CD2-CG 3.96Å; L30-L59 HydrophobicContact CD1-CD1 3.57Å |
| 31 | K | 94.5 | Very high | 91.7 | Very high | 133 Ų | 133 | 85.2 Ų | 85.2 | 58% | 0.578 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.3 | -44.5 | 175.2 | -72.8 | 177.2 | -177.6 | 176.8 | 0 | 111 | R27 N28 G29 K34 Q35 | R27-K31 WeakPolarHBondContact O-CG 3.44Å; R27-K31 PolarHBondContact O-N 3.42Å; N28-K31 WeakPolarHBondContact O-CB 3.41Å; N28-K31 PolarHBondContact O-N 3.03Å; N28-K31 VanDerWaalsContact O-N 3.16Å; G29-K31 VanDerWaalsContact C-N 3.34Å; G29-K31 PolarHBondContact O-N 3.28Å; K31-K34 WeakPolarHBondContact O-CB 3.29Å; K31-K34 PolarHBondContact O-N 3.48Å; K31-Q35 WeakPolarHBondContact O-CG 3.15Å; K31-Q35 PolarHBondContact O-N 3.27Å; K31-Q35 VanDerWaalsContact O-N 3.11Å |
| 32 | F | 93.9 | Very high | 91.7 | Very high | 32 Ų | 32 | 83.2 Ų | 83.2 | 14% | 0.14 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.9 | -38.6 | 177.3 | -63.9 | -44.3 | 0 | 0 | 0 | 112.4 | L13 R16 I17 N28 G29 K34 Q35 I36 | L13-F32 HydrophobicContact CD2-CB 4.43Å; L13-F32 HydrophobicContact CD2-CD1 3.85Å; L13-F32 HydrophobicContact CD2-CG 4.43Å; R16-F32 HydrophobicContact CB-CD2 4.31Å; R16-F32 HydrophobicContact CB-CE2 4.47Å; I17-F32 HydrophobicContact CD1-CB 4.18Å; I17-F32 HydrophobicContact CG1-CB 3.56Å; N28-F32 HydrophobicContact CB-CE2 4.44Å; N28-F32 VanDerWaalsContact O-CD2 3.31Å; N28-F32 WeakPolarHBondContact O-CD2 3.28Å; N28-F32 PolarHBondContact O-N 3.33Å; N28-F32 VanDerWaalsContact O-N 3.09Å; G29-F32 PolarHBondContact O-N 3.09Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.1Å; F32-Q35 PolarHBondContact O-N 3.22Å; F32-Q35 VanDerWaalsContact O-N 3.17Å; F32-I36 PolarHBondContact O-N 3.33Å |
| 33 | C | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -56.5 | -45.5 | 170.9 | -63.2 | 0 | 0 | 0 | 0 | 111 | I17 G29 L30 Q35 I36 L37 T48 K52 | I17-C33 HydrophobicContact CD1-CB 4.28Å; I17-C33 VanDerWaalsContact CG2-SG 3.58Å; G29-C33 PolarHBondContact O-N 3.09Å; G29-C33 PolarHBondContact O-SG 3.1Å; L30-C33 PolarHBondContact O-N 3.04Å; C33-Q35 VanDerWaalsContact C-N 3.3Å; C33-Q35 PolarHBondContact O-N 2.78Å; C33-I36 PolarHBondContact O-N 3.18Å; C33-L37 HydrophobicContact CB-CD1 4.47Å; C33-L37 WeakPolarHBondContact O-CB 3.41Å; C33-L37 VanDerWaalsContact O-CG 3.22Å; C33-L37 WeakPolarHBondContact O-CG 3.39Å; C33-L37 PolarHBondContact O-N 3.5Å; C33-T48 HydrophobicContact CB-CG2 4.3Å; C33-K52 HydrophobicContact CB-CB 4.02Å; C33-K52 HydrophobicContact CB-CD 4.49Å; C33-K52 HydrophobicContact CB-CG 4.26Å |
| 34 | K | 94.3 | Very high | 91.7 | Very high | 154 Ų | 154 | 75 Ų | 75 | 67% | 0.67 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.6 | -36.8 | 178.7 | -173.1 | 175 | -179.5 | 178.1 | 0 | 112.3 | L30 K31 F32 L37 S38 | L30-K34 PolarHBondContact O-N 3.32Å; K31-K34 WeakPolarHBondContact O-CB 3.29Å; K31-K34 PolarHBondContact O-N 3.48Å; F32-K34 VanDerWaalsContact C-N 3.29Å; F32-K34 PolarHBondContact O-N 3.1Å; K34-L37 PolarHBondContact O-N 3.32Å; K34-S38 WeakPolarHBondContact O-CB 3.42Å; K34-S38 PolarHBondContact O-N 2.87Å; K34-S38 PolarHBondContact O-OG 3.31Å |
| 35 | Q | 93.7 | Very high | 91.8 | Very high | 103 Ų | 103 | 68.2 Ų | 68.2 | 48% | 0.481 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.8 | -71.2 | 177.3 | 8.3 | 0 | 0 | 112 | L13 K31 F32 C33 S38 | L13-Q35 HydrophobicContact CD2-CB 4.46Å; K31-Q35 WeakPolarHBondContact O-CG 3.15Å; K31-Q35 PolarHBondContact O-N 3.27Å; K31-Q35 VanDerWaalsContact O-N 3.11Å; F32-Q35 PolarHBondContact O-N 3.22Å; F32-Q35 VanDerWaalsContact O-N 3.17Å; C33-Q35 VanDerWaalsContact C-N 3.3Å; C33-Q35 PolarHBondContact O-N 2.78Å; Q35-S38 PolarHBondContact O-OG 3.15Å |
| 36 | I | 92.4 | Very high | 91.8 | Very high | 2 Ų | 2 | 63.7 Ų | 63.7 | 1% | 0.01 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -68.3 | -49.6 | 176.4 | -60.3 | 176.9 | 0 | 0 | 0 | 110.3 | L6 L13 F14 I17 F32 C33 S38 N39 F42 T48 | L6-I36 HydrophobicContact CD1-CD1 4.43Å; L6-I36 HydrophobicContact CD2-CG2 4.1Å; L13-I36 HydrophobicContact CB-CD1 3.89Å; L13-I36 HydrophobicContact CB-CG1 3.96Å; F14-I36 HydrophobicContact CB-CD1 4.06Å; I17-I36 HydrophobicContact CD1-CD1 3.63Å; F32-I36 PolarHBondContact O-N 3.33Å; C33-I36 PolarHBondContact O-N 3.18Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.68Å; I36-N39 PolarHBondContact O-N 3.31Å; I36-F42 HydrophobicContact CG2-CB 4.04Å; I36-T48 HydrophobicContact CB-CG2 4.01Å; I36-T48 HydrophobicContact CD1-CG2 4.17Å; I36-T48 HydrophobicContact CG2-CG2 4.04Å |
| 37 | L | 93 | Very high | 91.8 | Very high | 24 Ų | 24 | 64 Ų | 64 | 13% | 0.126 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -72 | -18.8 | -175.2 | -60.5 | 170.1 | 0 | 0 | 0 | 113.5 | C33 K34 N39 A43 T48 L49 K52 | C33-L37 HydrophobicContact CB-CD1 4.47Å; C33-L37 WeakPolarHBondContact O-CB 3.41Å; C33-L37 VanDerWaalsContact O-CG 3.22Å; C33-L37 WeakPolarHBondContact O-CG 3.39Å; C33-L37 PolarHBondContact O-N 3.5Å; K34-L37 PolarHBondContact O-N 3.32Å; L37-N39 PolarHBondContact O-N 3.49Å; L37-A43 WeakPolarHBondContact CD2-O 3.4Å; L37-A43 WeakPolarHBondContact O-CA 3.42Å; L37-T48 HydrophobicContact CD1-CG2 4.18Å; L37-T48 HydrophobicContact CD2-CG2 3.87Å; L37-T48 HydrophobicContact CG-CG2 3.78Å; L37-L49 HydrophobicContact CD1-CD2 4.1Å; L37-L49 HydrophobicContact CD2-CD2 3.89Å; L37-L49 HydrophobicContact CD2-CG 4.02Å; L37-K52 HydrophobicContact CD1-CD 3.67Å |
| 38 | S | 92.3 | Very high | 91.9 | Very high | 87 Ų | 87 | 54.3 Ų | 54.3 | 61% | 0.608 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -20.1 | 175.3 | 66.4 | 0 | 0 | 0 | 0 | 113.4 | K34 Q35 I36 P40 | K34-S38 WeakPolarHBondContact O-CB 3.42Å; K34-S38 PolarHBondContact O-N 2.87Å; K34-S38 PolarHBondContact O-OG 3.31Å; Q35-S38 PolarHBondContact O-OG 3.15Å; I36-S38 VanDerWaalsContact C-N 3.28Å; I36-S38 PolarHBondContact O-N 2.68Å; S38-P40 WeakPolarHBondContact O-CD 3.43Å |
| 39 | N | 90.2 | Very high | 92 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 27% | 0.267 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -80.1 | 118.8 | 173.2 | -176.1 | -14.6 | 0 | 0 | 0 | 108.5 | I36 L37 K41 F42 A43 | I36-N39 PolarHBondContact O-N 3.31Å; L37-N39 PolarHBondContact O-N 3.49Å; N39-K41 PolarHBondContact O-N 3.2Å; N39-K41 WeakPolarHBondContact OD1-CB 3.5Å; N39-K41 PolarHBondContact OD1-N 3.42Å; N39-K41 VanDerWaalsContact OD1-N 3.13Å; N39-F42 HydrophobicContact CB-CD2 4.13Å; N39-F42 CarbonylContact O-C 3.35Å; N39-F42 PolarHBondContact O-N 2.91Å; N39-A43 PolarHBondContact O-N 3.33Å |
| 40 | P | 87.6 | Confident | 92.1 | Very high | 118 Ų | 118 | 51.2 Ų | 51.2 | 77% | 0.766 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -25.5 | -179.1 | -27.1 | 35.6 | 0 | 0 | 0 | 114.1 | S38 F42 | S38-P40 WeakPolarHBondContact O-CD 3.43Å; P40-F42 VanDerWaalsContact C-N 3.26Å; P40-F42 PolarHBondContact O-N 3.49Å |
| 41 | K | 85.2 | Confident | 92.1 | Very high | 163 Ų | 163 | 49.5 Ų | 49.5 | 71% | 0.709 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.8 | 176.2 | -65.5 | -173.4 | 177.5 | -176.6 | 0 | 113.7 | N39 | N39-K41 PolarHBondContact O-N 3.2Å; N39-K41 WeakPolarHBondContact OD1-CB 3.5Å; N39-K41 PolarHBondContact OD1-N 3.42Å; N39-K41 VanDerWaalsContact OD1-N 3.13Å |
| 42 | F | 89 | Confident | 92.1 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 7% | 0.07 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 12.3 | -175.6 | -49 | -61.6 | 0 | 0 | 0 | 112.7 | A3 L6 P7 E10 I36 N39 P40 E44 H45 | A3-F42 HydrophobicContact CB-CD1 4.18Å; A3-F42 HydrophobicContact CB-CE1 3.99Å; L6-F42 HydrophobicContact CD2-CB 4.38Å; L6-F42 HydrophobicContact CD2-CD1 3.86Å; L6-F42 HydrophobicContact CD2-CE1 4.33Å; L6-F42 HydrophobicContact CD2-CG 4.01Å; P7-F42 HydrophobicContact CG-CE1 4.23Å; P7-F42 HydrophobicContact CG-CE2 4.21Å; P7-F42 HydrophobicContact CG-CZ 3.49Å; P7-F42 VanDerWaalsContact CG-CZ 3.49Å; E10-F42 HydrophobicContact CG-CD2 4Å; E10-F42 HydrophobicContact CG-CE2 3.89Å; I36-F42 HydrophobicContact CG2-CB 4.04Å; N39-F42 HydrophobicContact CB-CD2 4.13Å; N39-F42 CarbonylContact O-C 3.35Å; N39-F42 PolarHBondContact O-N 2.91Å; P40-F42 VanDerWaalsContact C-N 3.26Å; P40-F42 PolarHBondContact O-N 3.49Å; F42-E44 PolarHBondContact O-N 3.27Å; F42-H45 HydrophobicContact CB-CB 4.07Å; F42-H45 WeakPolarHBondContact O-CB 3.42Å; F42-H45 PolarHBondContact O-N 2.96Å |
| 43 | A | 88.8 | Confident | 92.1 | Very high | 33 Ų | 33 | 44.8 Ų | 44.8 | 27% | 0.273 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -32.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L37 N39 | L37-A43 WeakPolarHBondContact CD2-O 3.4Å; L37-A43 WeakPolarHBondContact O-CA 3.42Å; N39-A43 PolarHBondContact O-N 3.33Å |
| 44 | E | 90.8 | Very high | 92 | Very high | 70 Ų | 70 | 45 Ų | 45 | 33% | 0.327 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 16.8 | 175.8 | -66.1 | -48.8 | 122.5 | 0 | 0 | 114 | F42 G46 R71 N75 | F42-E44 PolarHBondContact O-N 3.27Å; E44-G46 PolarHBondContact O-N 3.45Å; E44-G46 VanDerWaalsContact O-N 3.11Å; E44-R71 IonicContact OE1-CZ 3.6Å; E44-R71 IonicContact OE1-NE 3.58Å; E44-R71 IonicContact OE1-NH2 2.82Å; E44-R71 PolarHBondContact OE1-NH2 3.43Å; E44-R71 IonicContact OE2-CZ 3.06Å; E44-R71 IonicContact OE2-NE 2.68Å; E44-R71 PolarHBondContact OE2-NE 3.4Å; E44-R71 IonicContact OE2-NH2 3.96Å; E44-R71 PolarHBondContact OE2-NH2 3.09Å; E44-N75 WeakPolarHBondContact O-CB 3.43Å; E44-N75 PolarHBondContact O-ND2 3.47Å; E44-N75 PolarHBondContact OE2-ND2 3.28Å |
| 45 | H | 92.8 | Very high | 91.9 | Very high | 5 Ų | 5 | 37.7 Ų | 37.7 | 2% | 0.023 | 20% | 0.201 | C | C | . | . | trans | -63.7 | 115.6 | -178.3 | -178.3 | -108.2 | 0 | 0 | 0 | 111.3 | A3 F42 E47 T48 L49 | A3-H45 PolarHBondContact O-CD2 3.23Å; F42-H45 HydrophobicContact CB-CB 4.07Å; F42-H45 WeakPolarHBondContact O-CB 3.42Å; F42-H45 PolarHBondContact O-N 2.96Å; H45-E47 PolarHBondContact O-N 3.48Å; H45-T48 PolarHBondContact ND1-N 3.24Å; H45-T48 PolarHBondContact ND1-OG1 3.25Å; H45-T48 PolarHBondContact O-N 2.75Å; H45-L49 WeakPolarHBondContact O-CG 3.49Å; H45-L49 PolarHBondContact O-N 3.32Å | ||
| 46 | G | 91.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 33.4 Ų | 33.4 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.3 | -52.7 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114 | E44 T48 L49 A50 G72 C82 | E44-G46 PolarHBondContact O-N 3.45Å; E44-G46 VanDerWaalsContact O-N 3.11Å; G46-T48 VanDerWaalsContact C-N 3.32Å; G46-T48 PolarHBondContact O-N 3.27Å; G46-L49 PolarHBondContact O-N 3.13Å; G46-A50 PolarHBondContact O-N 3.46Å; G46-G72 WeakPolarHBondContact CA-O 3.25Å; G46-G72 WeakPolarHBondContact O-CA 3.48Å; G46-C82 VanDerWaalsContact C-SG 3.55Å |
| 47 | E | 92.9 | Very high | 91.8 | Very high | 35 Ų | 35 | 33.7 Ų | 33.7 | 16% | 0.164 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.8 | -35 | -176 | -53 | -171.6 | 150.3 | 0 | 0 | 112.3 | F14 H45 A50 M51 S79 V81 | F14-E47 HydrophobicContact CE2-CB 3.92Å; F14-E47 HydrophobicContact CZ-CB 3.65Å; H45-E47 PolarHBondContact O-N 3.48Å; E47-A50 PolarHBondContact O-N 2.77Å; E47-M51 WeakPolarHBondContact O-CB 3.28Å; E47-M51 WeakPolarHBondContact O-CG 3.3Å; E47-M51 PolarHBondContact O-N 2.87Å; E47-S79 WeakPolarHBondContact CG-OG 3.49Å; E47-S79 WeakPolarHBondContact OE1-CB 3.47Å; E47-S79 PolarHBondContact OE1-OG 3.35Å; E47-V81 HydrophobicContact CB-CB 4.48Å; E47-V81 HydrophobicContact CB-CG1 4.32Å; E47-V81 HydrophobicContact CG-CB 4.17Å |
| 48 | T | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -72.2 | -37.7 | 177.4 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | F14 I17 C33 I36 L37 H45 G46 K52 | F14-T48 WeakPolarHBondContact CD2-OG1 3.41Å; I17-T48 HydrophobicContact CD1-CG2 4.3Å; C33-T48 HydrophobicContact CB-CG2 4.3Å; I36-T48 HydrophobicContact CB-CG2 4.01Å; I36-T48 HydrophobicContact CD1-CG2 4.17Å; I36-T48 HydrophobicContact CG2-CG2 4.04Å; L37-T48 HydrophobicContact CD1-CG2 4.18Å; L37-T48 HydrophobicContact CD2-CG2 3.87Å; L37-T48 HydrophobicContact CG-CG2 3.78Å; H45-T48 PolarHBondContact ND1-N 3.24Å; H45-T48 PolarHBondContact ND1-OG1 3.25Å; H45-T48 PolarHBondContact O-N 2.75Å; G46-T48 VanDerWaalsContact C-N 3.32Å; G46-T48 PolarHBondContact O-N 3.27Å; T48-K52 WeakPolarHBondContact O-CB 3.14Å; T48-K52 PolarHBondContact O-N 2.96Å |
| 49 | L | 94.6 | Very high | 91.3 | Very high | 7 Ų | 7 | 33 Ų | 33 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.8 | -44.5 | 171.8 | -72.6 | 172.1 | 0 | 0 | 0 | 111.1 | L37 H45 G46 K52 G53 L68 R71 | L37-L49 HydrophobicContact CD1-CD2 4.1Å; L37-L49 HydrophobicContact CD2-CD2 3.89Å; L37-L49 HydrophobicContact CD2-CG 4.02Å; H45-L49 WeakPolarHBondContact O-CG 3.49Å; H45-L49 PolarHBondContact O-N 3.32Å; G46-L49 PolarHBondContact O-N 3.13Å; L49-K52 PolarHBondContact O-N 3.02Å; L49-G53 PolarHBondContact O-N 3.48Å; L49-L68 HydrophobicContact CD2-CD2 4.17Å; L49-R71 HydrophobicContact CD1-CG 4.39Å |
| 50 | A | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.7 | -50.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G46 E47 K52 G53 L54 V85 | G46-A50 PolarHBondContact O-N 3.46Å; E47-A50 PolarHBondContact O-N 2.77Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.01Å; A50-G53 PolarHBondContact O-N 3.43Å; A50-G53 VanDerWaalsContact O-N 3.09Å; A50-L54 PolarHBondContact O-N 2.96Å; A50-V85 HydrophobicContact CB-CB 4.16Å; A50-V85 HydrophobicContact CB-CG1 3.91Å; A50-V85 WeakPolarHBondContact O-CG1 3.4Å |
| 51 | M | 93.6 | Very high | 91.1 | Very high | 4 Ų | 4 | 32.2 Ų | 32.2 | 2% | 0.02 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.8 | -36 | 177.5 | -75.7 | -55.6 | -54.1 | 0 | 0 | 113.1 | F14 I17 L18 Y21 E47 L54 T55 V85 | F14-M51 HydrophobicContact CE2-CB 4.38Å; F14-M51 HydrophobicContact CE2-CG 3.84Å; F14-M51 HydrophobicContact CZ-CG 3.95Å; I17-M51 HydrophobicContact CG2-CB 3.94Å; I17-M51 HydrophobicContact CG2-CE 4.32Å; L18-M51 HydrophobicContact CD2-CE 3.73Å; L18-M51 HydrophobicContact CD2-CG 4.26Å; L18-M51 HydrophobicContact CD2-SD 3.67Å; Y21-M51 HydrophobicContact CD1-CE 4.42Å; Y21-M51 HydrophobicContact CG-CE 4.12Å; E47-M51 WeakPolarHBondContact O-CB 3.28Å; E47-M51 WeakPolarHBondContact O-CG 3.3Å; E47-M51 PolarHBondContact O-N 2.87Å; M51-L54 HydrophobicContact SD-CD2 4.49Å; M51-T55 WeakPolarHBondContact O-CB 3.31Å; M51-T55 PolarHBondContact O-N 3.28Å; M51-T55 PolarHBondContact O-OG1 3.46Å; M51-V85 HydrophobicContact SD-CG2 3.64Å |
| 52 | K | 94.7 | Very high | 91.1 | Very high | 66 Ų | 66 | 26.1 Ų | 26.1 | 29% | 0.287 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -62.6 | -46.3 | 172.3 | -178.3 | -177.3 | 172.9 | -170.3 | 0 | 110.9 | L30 C33 L37 T48 L49 A50 T55 L56 L68 | L30-K52 HydrophobicContact CD2-CG 4.03Å; C33-K52 HydrophobicContact CB-CB 4.02Å; C33-K52 HydrophobicContact CB-CD 4.49Å; C33-K52 HydrophobicContact CB-CG 4.26Å; L37-K52 HydrophobicContact CD1-CD 3.67Å; T48-K52 WeakPolarHBondContact O-CB 3.14Å; T48-K52 PolarHBondContact O-N 2.96Å; L49-K52 PolarHBondContact O-N 3.02Å; A50-K52 VanDerWaalsContact C-N 3.3Å; A50-K52 PolarHBondContact O-N 3.01Å; K52-T55 PolarHBondContact O-N 3.3Å; K52-L56 HydrophobicContact CG-CD1 4.19Å; K52-L56 WeakPolarHBondContact O-CG 3.24Å; K52-L56 PolarHBondContact O-N 2.8Å; K52-L68 HydrophobicContact CD-CD1 4.18Å; K52-L68 HydrophobicContact CG-CD1 4.3Å |
| 53 | G | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L49 A50 T55 L56 N57 A65 | L49-G53 PolarHBondContact O-N 3.48Å; A50-G53 PolarHBondContact O-N 3.43Å; A50-G53 VanDerWaalsContact O-N 3.09Å; G53-T55 VanDerWaalsContact C-N 3.31Å; G53-T55 PolarHBondContact O-N 3.3Å; G53-L56 WeakPolarHBondContact O-CB 3.49Å; G53-L56 PolarHBondContact O-N 3.47Å; G53-L56 VanDerWaalsContact O-N 3.1Å; G53-N57 PolarHBondContact O-N 2.89Å; G53-A65 WeakPolarHBondContact O-CB 3.31Å |
| 54 | L | 92.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 176 | -173.6 | 59.9 | 0 | 0 | 0 | 112.8 | Y21 A50 M51 L56 N57 C58 V85 L88 | Y21-L54 HydrophobicContact CD1-CD2 4.37Å; Y21-L54 HydrophobicContact CD2-CD2 4.44Å; Y21-L54 HydrophobicContact CD2-CG 4.43Å; Y21-L54 HydrophobicContact CE1-CD2 3.78Å; Y21-L54 HydrophobicContact CE1-CG 4.47Å; Y21-L54 HydrophobicContact CE2-CD2 3.87Å; Y21-L54 HydrophobicContact CE2-CG 3.69Å; A50-L54 PolarHBondContact O-N 2.96Å; M51-L54 HydrophobicContact SD-CD2 4.49Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.01Å; L54-N57 WeakPolarHBondContact O-CB 3.3Å; L54-N57 PolarHBondContact O-N 3.47Å; L54-C58 PolarHBondContact O-N 2.91Å; L54-V85 HydrophobicContact CB-CG1 3.73Å; L54-V85 HydrophobicContact CD2-CG1 4.08Å; L54-V85 HydrophobicContact CD2-CG2 4.15Å; L54-V85 HydrophobicContact CG-CG1 4.35Å; L54-L88 HydrophobicContact CD1-CB 4.12Å; L54-L88 HydrophobicContact CD2-CD1 3.99Å |
| 55 | T | 92.1 | Very high | 91.3 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.006 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.8 | -36.9 | 176.5 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | Y26 L30 M51 K52 G53 L59 | Y26-T55 HydrophobicContact CD1-CG2 4.03Å; Y26-T55 HydrophobicContact CG-CG2 4.28Å; Y26-T55 WeakPolarHBondContact O-CG2 3.14Å; L30-T55 HydrophobicContact CD2-CG2 3.72Å; L30-T55 HydrophobicContact CG-CG2 3.74Å; M51-T55 WeakPolarHBondContact O-CB 3.31Å; M51-T55 PolarHBondContact O-N 3.28Å; M51-T55 PolarHBondContact O-OG1 3.46Å; K52-T55 PolarHBondContact O-N 3.3Å; G53-T55 VanDerWaalsContact C-N 3.31Å; G53-T55 PolarHBondContact O-N 3.3Å; T55-L59 PolarHBondContact O-N 2.84Å |
| 56 | L | 92.1 | Very high | 91.2 | Very high | 13 Ų | 13 | 33.4 Ų | 33.4 | 7% | 0.068 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.6 | -34.7 | 175.6 | -73.2 | 169.2 | 0 | 0 | 0 | 112.5 | L30 K52 G53 L54 C58 L59 G60 K61 A65 L68 | L30-L56 HydrophobicContact CD1-CD2 3.92Å; L30-L56 HydrophobicContact CD2-CD2 4.06Å; L30-L56 HydrophobicContact CD2-CG 3.96Å; K52-L56 HydrophobicContact CG-CD1 4.19Å; K52-L56 WeakPolarHBondContact O-CG 3.24Å; K52-L56 PolarHBondContact O-N 2.8Å; G53-L56 WeakPolarHBondContact O-CB 3.49Å; G53-L56 PolarHBondContact O-N 3.47Å; G53-L56 VanDerWaalsContact O-N 3.1Å; L54-L56 VanDerWaalsContact C-N 3.33Å; L54-L56 PolarHBondContact O-N 3.01Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 3.11Å; L56-L59 CarbonylContact O-C 3.53Å; L56-L59 PolarHBondContact O-N 3.41Å; L56-G60 PolarHBondContact O-N 3.02Å; L56-K61 HydrophobicContact CB-CB 4.25Å; L56-K61 HydrophobicContact CD2-CD 3.81Å; L56-K61 PolarHBondContact O-N 3.03Å; L56-A65 HydrophobicContact CB-CB 4.42Å; L56-L68 HydrophobicContact CD1-CD1 3.54Å |
| 57 | N | 91.1 | Very high | 91.3 | Very high | 8 Ų | 8 | 38.4 Ų | 38.4 | 4% | 0.043 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 174.8 | -179.9 | 64.7 | 0 | 0 | 0 | 111.7 | G53 L54 L59 G60 K62 A65 L89 S92 | G53-N57 PolarHBondContact O-N 2.89Å; L54-N57 WeakPolarHBondContact O-CB 3.3Å; L54-N57 PolarHBondContact O-N 3.47Å; N57-L59 PolarHBondContact O-N 2.97Å; N57-G60 PolarHBondContact O-N 2.8Å; N57-G60 VanDerWaalsContact O-N 3.12Å; N57-K62 WeakPolarHBondContact OD1-CD 3.47Å; N57-K62 VanDerWaalsContact OD1-CE 3.23Å; N57-K62 WeakPolarHBondContact OD1-CE 3.36Å; N57-K62 PolarHBondContact OD1-NZ 2.94Å; N57-A65 HydrophobicContact CB-CB 3.75Å; N57-L89 HydrophobicContact CB-CD1 3.65Å; N57-L89 WeakPolarHBondContact OD1-CD1 3.31Å; N57-S92 PolarHBondContact ND2-OG 3.49Å |
| 58 | C | 87.1 | Confident | 91.3 | Very high | 32 Ų | 32 | 38 Ų | 38 | 22% | 0.216 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -18.6 | 176.5 | -64.3 | 0 | 0 | 0 | 0 | 113.5 | Y26 L54 L56 | Y26-C58 HydrophobicContact CD1-CB 4.24Å; Y26-C58 HydrophobicContact CD2-CB 4.33Å; Y26-C58 HydrophobicContact CE1-CB 3.81Å; Y26-C58 HydrophobicContact CE2-CB 3.91Å; Y26-C58 HydrophobicContact CG-CB 4.48Å; L54-C58 PolarHBondContact O-N 2.91Å; L56-C58 VanDerWaalsContact C-N 3.32Å; L56-C58 PolarHBondContact O-N 3.11Å |
| 59 | L | 87.8 | Confident | 91.4 | Very high | 65 Ų | 65 | 38 Ų | 38 | 34% | 0.34 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95 | 12.7 | 174.1 | -66 | 172.2 | 0 | 0 | 0 | 112.8 | Y26 L30 T55 L56 N57 K61 | Y26-L59 HydrophobicContact CD2-CD2 4.05Å; Y26-L59 HydrophobicContact CD2-CG 4.49Å; Y26-L59 HydrophobicContact CG-CD2 4.4Å; L30-L59 HydrophobicContact CD1-CD1 3.57Å; T55-L59 PolarHBondContact O-N 2.84Å; L56-L59 CarbonylContact O-C 3.53Å; L56-L59 PolarHBondContact O-N 3.41Å; N57-L59 PolarHBondContact O-N 2.97Å; L59-K61 PolarHBondContact O-N 3.25Å |
| 60 | G | 84.3 | Confident | 91.3 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 59% | 0.588 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 84.8 | -1.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | L56 N57 K62 | L56-G60 PolarHBondContact O-N 3.02Å; N57-G60 PolarHBondContact O-N 2.8Å; N57-G60 VanDerWaalsContact O-N 3.12Å; G60-K62 PolarHBondContact O-N 2.77Å; G60-K62 VanDerWaalsContact O-N 3.12Å |
| 61 | K | 89.3 | Confident | 91.3 | Very high | 95 Ų | 95 | 48.2 Ų | 48.2 | 41% | 0.413 | 23% | 0.234 | S | C | . | . | trans | -89 | 70.3 | -179.4 | -71.5 | 174.1 | 156.6 | -115.6 | 0 | 112 | L56 L59 E64 A65 | L56-K61 HydrophobicContact CB-CB 4.25Å; L56-K61 HydrophobicContact CD2-CD 3.81Å; L56-K61 PolarHBondContact O-N 3.03Å; L59-K61 PolarHBondContact O-N 3.25Å; K61-E64 HydrophobicContact CB-CB 4.42Å; K61-E64 IonicContact NZ-OE1 3.59Å; K61-E64 PolarHBondContact NZ-OE1 3.04Å; K61-E64 IonicContact NZ-OE2 3.7Å; K61-E64 PolarHBondContact NZ-OE2 3.31Å; K61-E64 VanDerWaalsContact NZ-OE2 3.15Å; K61-A65 VanDerWaalsContact O-CB 3.32Å; K61-A65 WeakPolarHBondContact O-CB 3.44Å; K61-A65 PolarHBondContact O-N 3.43Å; K61-A65 VanDerWaalsContact O-N 3.09Å | ||
| 62 | K | 85.9 | Confident | 91.2 | Very high | 34 Ų | 34 | 48 Ų | 48 | 15% | 0.148 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -52.6 | -173.5 | -61.4 | -60.8 | -168.4 | 152.2 | 0 | 114.1 | N57 G60 E64 A65 Y66 D93 | N57-K62 WeakPolarHBondContact OD1-CD 3.47Å; N57-K62 VanDerWaalsContact OD1-CE 3.23Å; N57-K62 WeakPolarHBondContact OD1-CE 3.36Å; N57-K62 PolarHBondContact OD1-NZ 2.94Å; G60-K62 PolarHBondContact O-N 2.77Å; G60-K62 VanDerWaalsContact O-N 3.12Å; K62-E64 PolarHBondContact O-N 2.88Å; K62-A65 WeakPolarHBondContact O-CB 3.33Å; K62-A65 PolarHBondContact O-N 3.04Å; K62-A65 VanDerWaalsContact O-N 3.09Å; K62-Y66 WeakPolarHBondContact O-CD2 3.3Å; K62-Y66 PolarHBondContact O-N 2.93Å; K62-D93 IonicContact NZ-OD1 3.73Å; K62-D93 PolarHBondContact NZ-OD1 3.16Å |
| 63 | E | 87.9 | Confident | 91.1 | Very high | 159 Ų | 159 | 45.5 Ų | 45.5 | 74% | 0.743 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.6 | -46.8 | -177.4 | -65 | -54.9 | 134.8 | 0 | 0 | 112.3 | A65 Y66 E67 | E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 2.9Å; E63-Y66 PolarHBondContact O-N 3.47Å; E63-E67 PolarHBondContact O-N 3.05Å |
| 64 | E | 91.4 | Very high | 91.1 | Very high | 93 Ų | 93 | 54.2 Ų | 54.2 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.7 | -37.9 | 175.3 | -65.8 | 178.5 | -147.2 | 0 | 0 | 111.6 | K61 K62 L68 | K61-E64 HydrophobicContact CB-CB 4.42Å; K61-E64 IonicContact NZ-OE1 3.59Å; K61-E64 PolarHBondContact NZ-OE1 3.04Å; K61-E64 IonicContact NZ-OE2 3.7Å; K61-E64 PolarHBondContact NZ-OE2 3.31Å; K61-E64 VanDerWaalsContact NZ-OE2 3.15Å; K62-E64 PolarHBondContact O-N 2.88Å; E64-L68 WeakPolarHBondContact O-CB 3.26Å; E64-L68 VanDerWaalsContact O-CG 3.28Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 2.93Å; E64-L68 VanDerWaalsContact O-N 3.15Å |
| 65 | A | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -46.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G53 L56 N57 K61 K62 E63 E67 L68 V69 L89 | G53-A65 WeakPolarHBondContact O-CB 3.31Å; L56-A65 HydrophobicContact CB-CB 4.42Å; N57-A65 HydrophobicContact CB-CB 3.75Å; K61-A65 VanDerWaalsContact O-CB 3.32Å; K61-A65 WeakPolarHBondContact O-CB 3.44Å; K61-A65 PolarHBondContact O-N 3.43Å; K61-A65 VanDerWaalsContact O-N 3.09Å; K62-A65 WeakPolarHBondContact O-CB 3.33Å; K62-A65 PolarHBondContact O-N 3.04Å; K62-A65 VanDerWaalsContact O-N 3.09Å; E63-A65 VanDerWaalsContact C-N 3.27Å; E63-A65 PolarHBondContact O-N 2.9Å; A65-E67 PolarHBondContact O-N 3.12Å; A65-L68 PolarHBondContact O-N 2.88Å; A65-V69 WeakPolarHBondContact O-CB 3.47Å; A65-V69 VanDerWaalsContact O-CG2 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.26Å; A65-V69 PolarHBondContact O-N 3.5Å; A65-L89 HydrophobicContact CB-CD1 4.36Å |
| 66 | Y | 91.8 | Very high | 91 | Very high | 25 Ų | 25 | 57 Ų | 57 | 10% | 0.098 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.4 | -44 | -180 | -93.2 | -85 | 0 | 0 | 0 | 112.7 | K62 E63 R70 Y86 L89 Q90 D93 | K62-Y66 WeakPolarHBondContact O-CD2 3.3Å; K62-Y66 PolarHBondContact O-N 2.93Å; E63-Y66 PolarHBondContact O-N 3.47Å; Y66-R70 VanDerWaalsContact O-CB 3.29Å; Y66-R70 WeakPolarHBondContact O-CB 3.27Å; Y66-R70 WeakPolarHBondContact O-CG 3.39Å; Y66-R70 PolarHBondContact O-N 3.22Å; Y66-Y86 HydrophobicContact CD1-CE2 4.36Å; Y66-Y86 HydrophobicContact CE1-CE2 4.29Å; Y66-L89 HydrophobicContact CD1-CD2 3.8Å; Y66-L89 HydrophobicContact CD2-CD2 3.98Å; Y66-L89 HydrophobicContact CD2-CG 4.4Å; Y66-L89 HydrophobicContact CE1-CD2 3.87Å; Y66-L89 HydrophobicContact CE1-CG 4.21Å; Y66-L89 HydrophobicContact CE2-CD1 4.18Å; Y66-L89 HydrophobicContact CE2-CD2 4.04Å; Y66-L89 HydrophobicContact CE2-CG 3.99Å; Y66-L89 HydrophobicContact CG-CD2 3.86Å; Y66-Q90 PolarHBondContact OH-OE1 2.87Å; Y66-D93 WeakPolarHBondContact CE2-OD2 3.48Å; Y66-D93 PolarHBondContact OH-OD2 2.81Å |
| 67 | E | 93.3 | Very high | 91 | Very high | 109 Ų | 109 | 61.4 Ų | 61.4 | 51% | 0.509 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 179.3 | -178.6 | 54 | -152.3 | 0 | 0 | 111.1 | E63 A65 R70 R71 | E63-E67 PolarHBondContact O-N 3.05Å; A65-E67 PolarHBondContact O-N 3.12Å; E67-R70 PolarHBondContact O-N 3.17Å; E67-R71 WeakPolarHBondContact O-CB 3.24Å; E67-R71 PolarHBondContact O-N 3.34Å |
| 68 | L | 94.1 | Very high | 91 | Very high | 26 Ų | 26 | 67.8 Ų | 67.8 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 179.4 | -71.5 | 172.9 | 0 | 0 | 0 | 113 | L49 K52 L56 E64 A65 G72 | L49-L68 HydrophobicContact CD2-CD2 4.17Å; K52-L68 HydrophobicContact CD-CD1 4.18Å; K52-L68 HydrophobicContact CG-CD1 4.3Å; L56-L68 HydrophobicContact CD1-CD1 3.54Å; E64-L68 WeakPolarHBondContact O-CB 3.26Å; E64-L68 VanDerWaalsContact O-CG 3.28Å; E64-L68 WeakPolarHBondContact O-CG 3.3Å; E64-L68 PolarHBondContact O-N 2.93Å; E64-L68 VanDerWaalsContact O-N 3.15Å; A65-L68 PolarHBondContact O-N 2.88Å; L68-G72 PolarHBondContact O-N 3.1Å |
| 69 | V | 94.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 66.5 Ų | 66.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.2 | -44.3 | 177.3 | 174.8 | 0 | 0 | 0 | 0 | 111 | A65 R71 G72 L73 V85 Y86 L89 | A65-V69 WeakPolarHBondContact O-CB 3.47Å; A65-V69 VanDerWaalsContact O-CG2 3.28Å; A65-V69 WeakPolarHBondContact O-CG2 3.26Å; A65-V69 PolarHBondContact O-N 3.5Å; V69-R71 PolarHBondContact O-N 3.41Å; V69-G72 PolarHBondContact O-N 3.1Å; V69-L73 WeakPolarHBondContact O-CB 3.26Å; V69-L73 PolarHBondContact O-N 3.46Å; V69-V85 HydrophobicContact CG1-CG1 4.24Å; V69-V85 HydrophobicContact CG2-CG1 4.05Å; V69-Y86 HydrophobicContact CG1-CD2 3.59Å; V69-Y86 HydrophobicContact CG1-CG 4.04Å; V69-L89 HydrophobicContact CB-CD2 4.04Å; V69-L89 HydrophobicContact CG1-CD2 4.31Å; V69-L89 HydrophobicContact CG2-CD2 4.03Å |
| 70 | R | 93.7 | Very high | 91.4 | Very high | 129 Ų | 129 | 66 Ų | 66 | 49% | 0.487 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.6 | -78 | 178.8 | 170.6 | 172.1 | 1 | 112.1 | Y66 E67 R74 Y86 | Y66-R70 VanDerWaalsContact O-CB 3.29Å; Y66-R70 WeakPolarHBondContact O-CB 3.27Å; Y66-R70 WeakPolarHBondContact O-CG 3.39Å; Y66-R70 PolarHBondContact O-N 3.22Å; E67-R70 PolarHBondContact O-N 3.17Å; R70-R74 WeakPolarHBondContact O-CB 3.28Å; R70-R74 PolarHBondContact O-N 2.81Å; R70-Y86 HydrophobicContact CG-CE2 4.17Å; R70-Y86 PolarHBondContact NE-OH 2.91Å |
| 71 | R | 92.9 | Very high | 91.7 | Very high | 94 Ų | 94 | 64.3 Ų | 64.3 | 36% | 0.355 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.4 | -42.8 | 175 | 179.3 | 175.1 | 162.9 | -176.8 | -1.5 | 112 | E44 L49 E67 V69 L73 R74 N75 | E44-R71 IonicContact OE1-CZ 3.6Å; E44-R71 IonicContact OE1-NE 3.58Å; E44-R71 IonicContact OE1-NH2 2.82Å; E44-R71 PolarHBondContact OE1-NH2 3.43Å; E44-R71 IonicContact OE2-CZ 3.06Å; E44-R71 IonicContact OE2-NE 2.68Å; E44-R71 PolarHBondContact OE2-NE 3.4Å; E44-R71 IonicContact OE2-NH2 3.96Å; E44-R71 PolarHBondContact OE2-NH2 3.09Å; L49-R71 HydrophobicContact CD1-CG 4.39Å; E67-R71 WeakPolarHBondContact O-CB 3.24Å; E67-R71 PolarHBondContact O-N 3.34Å; V69-R71 PolarHBondContact O-N 3.41Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 2.81Å; R71-R74 WeakPolarHBondContact O-CB 3.45Å; R71-R74 PolarHBondContact O-N 3.43Å; R71-N75 PolarHBondContact O-N 3.38Å |
| 72 | G | 92.6 | Very high | 92 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.2 | -46 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G46 L68 V69 N75 D76 | G46-G72 WeakPolarHBondContact CA-O 3.25Å; G46-G72 WeakPolarHBondContact O-CA 3.48Å; L68-G72 PolarHBondContact O-N 3.1Å; V69-G72 PolarHBondContact O-N 3.1Å; G72-N75 PolarHBondContact O-N 2.88Å; G72-D76 PolarHBondContact O-N 3.05Å |
| 73 | L | 93 | Very high | 92.5 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 7% | 0.068 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.4 | -39.4 | 174.9 | -179.3 | 61.8 | 0 | 0 | 0 | 112.8 | V69 R71 N75 D76 L77 C82 W83 Y86 | V69-L73 WeakPolarHBondContact O-CB 3.26Å; V69-L73 PolarHBondContact O-N 3.46Å; R71-L73 VanDerWaalsContact C-N 3.31Å; R71-L73 PolarHBondContact O-N 2.81Å; L73-N75 PolarHBondContact O-N 3.5Å; L73-D76 CarbonylContact O-C 3.51Å; L73-D76 PolarHBondContact O-N 3.4Å; L73-D76 VanDerWaalsContact O-N 3.16Å; L73-L77 HydrophobicContact CD1-CD2 4.5Å; L73-L77 HydrophobicContact CG-CD2 4.25Å; L73-L77 WeakPolarHBondContact O-CD2 3.43Å; L73-L77 PolarHBondContact O-N 3.39Å; L73-C82 HydrophobicContact CB-CB 4.33Å; L73-C82 HydrophobicContact CD1-CB 3.67Å; L73-W83 HydrophobicContact CD1-CD2 3.72Å; L73-W83 HydrophobicContact CD1-CE3 4.29Å; L73-W83 HydrophobicContact CD1-CG 3.93Å; L73-W83 HydrophobicContact CD1-CZ2 4.09Å; L73-W83 HydrophobicContact CD2-CD2 4.18Å; L73-W83 HydrophobicContact CD2-CE3 3.9Å; L73-W83 HydrophobicContact CD2-CH2 3.88Å; L73-W83 HydrophobicContact CD2-CZ2 4.15Å; L73-W83 HydrophobicContact CD2-CZ3 3.75Å; L73-W83 HydrophobicContact CG-CZ2 4.49Å; L73-Y86 HydrophobicContact CD2-CD1 3.89Å; L73-Y86 HydrophobicContact CD2-CE1 4.48Å; L73-Y86 HydrophobicContact CD2-CG 4.41Å |
| 74 | R | 93.3 | Very high | 92.8 | Very high | 183 Ų | 183 | 54.1 Ų | 54.1 | 69% | 0.691 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61 | -35.7 | 175.7 | -171.9 | -178.4 | -60.9 | 176.6 | 3.6 | 112.2 | R70 R71 D76 | R70-R74 WeakPolarHBondContact O-CB 3.28Å; R70-R74 PolarHBondContact O-N 2.81Å; R71-R74 WeakPolarHBondContact O-CB 3.45Å; R71-R74 PolarHBondContact O-N 3.43Å; R74-D76 VanDerWaalsContact C-N 3.33Å |
| 75 | N | 91.6 | Very high | 92.9 | Very high | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -76.9 | -20.2 | 179 | -69.2 | -18.5 | 0 | 0 | 0 | 112.8 | E44 R71 G72 L73 | E44-N75 WeakPolarHBondContact O-CB 3.43Å; E44-N75 PolarHBondContact O-ND2 3.47Å; E44-N75 PolarHBondContact OE2-ND2 3.28Å; R71-N75 PolarHBondContact O-N 3.38Å; G72-N75 PolarHBondContact O-N 2.88Å; L73-N75 PolarHBondContact O-N 3.5Å |
| 76 | D | 90.6 | Very high | 93 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 10% | 0.096 | 22% | 0.224 | C | C | . | . | trans | -148.4 | 87 | 173.3 | -169.1 | -5.7 | 0 | 0 | 0 | 112.8 | V4 G72 L73 R74 K78 S79 | V4-D76 WeakPolarHBondContact CG1-OD2 3.24Å; G72-D76 PolarHBondContact O-N 3.05Å; L73-D76 CarbonylContact O-C 3.51Å; L73-D76 PolarHBondContact O-N 3.4Å; L73-D76 VanDerWaalsContact O-N 3.16Å; R74-D76 VanDerWaalsContact C-N 3.33Å; D76-K78 PolarHBondContact O-N 2.98Å; D76-K78 PolarHBondContact OD1-N 2.67Å; D76-K78 VanDerWaalsContact OD1-N 3.17Å; D76-S79 VanDerWaalsContact CG-CB 3.46Å; D76-S79 PolarHBondContact OD1-N 3.18Å; D76-S79 VanDerWaalsContact OD1-N 3.13Å; D76-S79 VanDerWaalsContact OD2-CB 3.23Å; D76-S79 WeakPolarHBondContact OD2-CB 3.31Å | ||
| 77 | L | 91.5 | Very high | 93.1 | Very high | 105 Ų | 105 | 50 Ų | 50 | 55% | 0.55 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -13 | -179.6 | -68.2 | 172.8 | 0 | 0 | 0 | 113.8 | L73 W83 | L73-L77 HydrophobicContact CD1-CD2 4.5Å; L73-L77 HydrophobicContact CG-CD2 4.25Å; L73-L77 WeakPolarHBondContact O-CD2 3.43Å; L73-L77 PolarHBondContact O-N 3.39Å; L77-W83 PolarHBondContact O-NE1 2.95Å |
| 78 | K | 91.8 | Very high | 93.1 | Very high | 141 Ų | 141 | 45.7 Ų | 45.7 | 61% | 0.613 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -0.6 | -177.9 | -57.5 | -169.4 | 178.5 | 178.1 | 0 | 112.9 | D76 W109 | D76-K78 PolarHBondContact O-N 2.98Å; D76-K78 PolarHBondContact OD1-N 2.67Å; D76-K78 VanDerWaalsContact OD1-N 3.17Å; K78-W109 HydrophobicContact CB-CD2 4.02Å; K78-W109 HydrophobicContact CB-CE3 4.01Å; K78-W109 HydrophobicContact CB-CH2 4.08Å; K78-W109 HydrophobicContact CB-CZ2 4.06Å; K78-W109 HydrophobicContact CB-CZ3 4.05Å; K78-W109 HydrophobicContact CD-CH2 3.73Å; K78-W109 HydrophobicContact CD-CZ2 4.41Å; K78-W109 HydrophobicContact CD-CZ3 3.79Å; K78-W109 HydrophobicContact CG-CE3 4.36Å; K78-W109 HydrophobicContact CG-CH2 3.55Å; K78-W109 HydrophobicContact CG-CZ2 3.71Å; K78-W109 HydrophobicContact CG-CZ3 3.89Å; K78-W109 WeakPolarHBondContact O-CB 3.29Å |
| 79 | S | 91.3 | Very high | 93.1 | Very high | 5 Ų | 5 | 44.4 Ų | 44.4 | 4% | 0.035 | 19% | 0.193 | C | C | . | . | trans | -79.1 | 123.8 | 175 | 168.7 | 0 | 0 | 0 | 0 | 111.5 | E47 D76 V81 C82 W83 | E47-S79 WeakPolarHBondContact CG-OG 3.49Å; E47-S79 WeakPolarHBondContact OE1-CB 3.47Å; E47-S79 PolarHBondContact OE1-OG 3.35Å; D76-S79 VanDerWaalsContact CG-CB 3.46Å; D76-S79 PolarHBondContact OD1-N 3.18Å; D76-S79 VanDerWaalsContact OD1-N 3.13Å; D76-S79 VanDerWaalsContact OD2-CB 3.23Å; D76-S79 WeakPolarHBondContact OD2-CB 3.31Å; S79-V81 PolarHBondContact O-N 3.12Å; S79-V81 WeakPolarHBondContact OG-CB 3.45Å; S79-V81 PolarHBondContact OG-N 2.96Å; S79-C82 PolarHBondContact O-N 3.04Å; S79-C82 PolarHBondContact OG-N 3.48Å; S79-W83 VanDerWaalsContact O-CD1 3.29Å; S79-W83 PolarHBondContact O-N 3.35Å | ||
| 80 | H | 92.3 | Very high | 93 | Very high | 56 Ų | 56 | 44.9 Ų | 44.9 | 26% | 0.259 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -62.1 | -31.4 | 169.5 | 71.7 | -82.8 | 0 | 0 | 0 | 111.5 | H84 A106 W109 D110 I116 | H80-H84 WeakPolarHBondContact O-CB 3.3Å; H80-H84 PolarHBondContact O-N 3.31Å; H80-A106 HydrophobicContact CB-CB 4.38Å; H80-W109 HydrophobicContact CB-CB 4.27Å; H80-D110 HydrophobicContact CB-CB 3.93Å; H80-I116 HydrophobicContact CB-CD1 4.4Å |
| 81 | V | 91.3 | Very high | 92.9 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 13% | 0.127 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -67.2 | -47.7 | 179.3 | -176.6 | 0 | 0 | 0 | 0 | 110.7 | F14 E47 S79 W83 H84 V85 | F14-V81 HydrophobicContact CZ-CG1 4.31Å; E47-V81 HydrophobicContact CB-CB 4.48Å; E47-V81 HydrophobicContact CB-CG1 4.32Å; E47-V81 HydrophobicContact CG-CB 4.17Å; S79-V81 PolarHBondContact O-N 3.12Å; S79-V81 WeakPolarHBondContact OG-CB 3.45Å; S79-V81 PolarHBondContact OG-N 2.96Å; V81-W83 VanDerWaalsContact C-N 3.34Å; V81-W83 PolarHBondContact O-N 3.43Å; V81-H84 PolarHBondContact O-N 3.17Å; V81-V85 HydrophobicContact CG1-CG2 4.23Å; V81-V85 WeakPolarHBondContact O-CB 3.41Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.17Å; V81-V85 PolarHBondContact O-N 3.37Å |
| 82 | C | 93.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | 177.8 | -71.9 | 0 | 0 | 0 | 0 | 111.8 | G46 L73 S79 Y86 | G46-C82 VanDerWaalsContact C-SG 3.55Å; L73-C82 HydrophobicContact CB-CB 4.33Å; L73-C82 HydrophobicContact CD1-CB 3.67Å; S79-C82 PolarHBondContact O-N 3.04Å; S79-C82 PolarHBondContact OG-N 3.48Å; C82-Y86 WeakPolarHBondContact O-CB 3.34Å; C82-Y86 PolarHBondContact O-N 3.3Å |
| 83 | W | 96.3 | Very high | 92.6 | Very high | 44 Ų | 44 | 41.1 Ų | 41.1 | 17% | 0.167 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.1 | -41.8 | 177 | -79 | 112.1 | 0 | 0 | 0 | 112.8 | L73 L77 S79 V81 Y86 G87 C102 N105 A106 W109 | L73-W83 HydrophobicContact CD1-CD2 3.72Å; L73-W83 HydrophobicContact CD1-CE3 4.29Å; L73-W83 HydrophobicContact CD1-CG 3.93Å; L73-W83 HydrophobicContact CD1-CZ2 4.09Å; L73-W83 HydrophobicContact CD2-CD2 4.18Å; L73-W83 HydrophobicContact CD2-CE3 3.9Å; L73-W83 HydrophobicContact CD2-CH2 3.88Å; L73-W83 HydrophobicContact CD2-CZ2 4.15Å; L73-W83 HydrophobicContact CD2-CZ3 3.75Å; L73-W83 HydrophobicContact CG-CZ2 4.49Å; L77-W83 PolarHBondContact O-NE1 2.95Å; S79-W83 VanDerWaalsContact O-CD1 3.29Å; S79-W83 PolarHBondContact O-N 3.35Å; V81-W83 VanDerWaalsContact C-N 3.34Å; V81-W83 PolarHBondContact O-N 3.43Å; W83-Y86 HydrophobicContact CZ3-CD1 4.36Å; W83-Y86 PolarHBondContact O-N 3.33Å; W83-G87 PolarHBondContact O-N 2.99Å; W83-C102 HydrophobicContact CE3-CB 4.27Å; W83-N105 HydrophobicContact CD2-CB 3.67Å; W83-N105 HydrophobicContact CE3-CB 3.9Å; W83-N105 HydrophobicContact CG-CB 4.03Å; W83-N105 HydrophobicContact CZ2-CB 4.34Å; W83-N105 HydrophobicContact CZ3-CB 4.33Å; W83-A106 HydrophobicContact CB-CB 3.64Å; W83-W109 AromaticContact NE1-NE1 3.97Å |
| 84 | H | 94.6 | Very high | 92.5 | Very high | 29 Ų | 29 | 45.4 Ų | 45.4 | 13% | 0.134 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63 | -46.9 | 177.2 | -179.1 | -143.1 | 0 | 0 | 0 | 111.2 | H80 V81 Y86 G87 L88 Y103 A106 I116 D119 | H80-H84 WeakPolarHBondContact O-CB 3.3Å; H80-H84 PolarHBondContact O-N 3.31Å; V81-H84 PolarHBondContact O-N 3.17Å; H84-Y86 VanDerWaalsContact C-N 3.31Å; H84-Y86 PolarHBondContact O-N 3.25Å; H84-G87 PolarHBondContact O-N 3.27Å; H84-G87 VanDerWaalsContact O-N 3.14Å; H84-L88 WeakPolarHBondContact O-CG 3.4Å; H84-L88 PolarHBondContact O-N 2.86Å; H84-Y103 AromaticContact CD2-CD1 3.9Å; H84-Y103 AromaticContact CD2-CE1 3.52Å; H84-A106 HydrophobicContact CB-CB 4.47Å; H84-I116 HydrophobicContact CB-CD1 4.09Å; H84-I116 HydrophobicContact CB-CG1 4.22Å; H84-D119 IonicContact CE1-OD2 2.72Å; H84-D119 IonicContact NE2-OD2 3.6Å; H84-D119 PolarHBondContact NE2-OD2 3.43Å |
| 85 | V | 94.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.018 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 175.7 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | A50 M51 L54 V69 V81 G87 L88 L89 | A50-V85 HydrophobicContact CB-CB 4.16Å; A50-V85 HydrophobicContact CB-CG1 3.91Å; A50-V85 WeakPolarHBondContact O-CG1 3.4Å; M51-V85 HydrophobicContact SD-CG2 3.64Å; L54-V85 HydrophobicContact CB-CG1 3.73Å; L54-V85 HydrophobicContact CD2-CG1 4.08Å; L54-V85 HydrophobicContact CD2-CG2 4.15Å; L54-V85 HydrophobicContact CG-CG1 4.35Å; V69-V85 HydrophobicContact CG1-CG1 4.24Å; V69-V85 HydrophobicContact CG2-CG1 4.05Å; V81-V85 HydrophobicContact CG1-CG2 4.23Å; V81-V85 WeakPolarHBondContact O-CB 3.41Å; V81-V85 VanDerWaalsContact O-CG2 3.26Å; V81-V85 WeakPolarHBondContact O-CG2 3.17Å; V81-V85 PolarHBondContact O-N 3.37Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 2.89Å; V85-L88 PolarHBondContact O-N 3.43Å; V85-L89 PolarHBondContact O-N 3.44Å |
| 86 | Y | 94.9 | Very high | 92.6 | Very high | 30 Ų | 30 | 40.4 Ų | 40.4 | 12% | 0.118 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64.6 | -39.3 | 176.2 | -168.6 | -140.3 | 0 | 0 | 0 | 112.2 | Y66 V69 R70 L73 C82 W83 H84 L89 Q90 C102 | Y66-Y86 HydrophobicContact CD1-CE2 4.36Å; Y66-Y86 HydrophobicContact CE1-CE2 4.29Å; V69-Y86 HydrophobicContact CG1-CD2 3.59Å; V69-Y86 HydrophobicContact CG1-CG 4.04Å; R70-Y86 HydrophobicContact CG-CE2 4.17Å; R70-Y86 PolarHBondContact NE-OH 2.91Å; L73-Y86 HydrophobicContact CD2-CD1 3.89Å; L73-Y86 HydrophobicContact CD2-CE1 4.48Å; L73-Y86 HydrophobicContact CD2-CG 4.41Å; C82-Y86 WeakPolarHBondContact O-CB 3.34Å; C82-Y86 PolarHBondContact O-N 3.3Å; W83-Y86 HydrophobicContact CZ3-CD1 4.36Å; W83-Y86 PolarHBondContact O-N 3.33Å; H84-Y86 VanDerWaalsContact C-N 3.31Å; H84-Y86 PolarHBondContact O-N 3.25Å; Y86-L89 HydrophobicContact CD2-CD2 4.39Å; Y86-L89 WeakPolarHBondContact O-CB 3.07Å; Y86-L89 PolarHBondContact O-N 3.08Å; Y86-Q90 HydrophobicContact CD2-CG 4.45Å; Y86-Q90 HydrophobicContact CE2-CG 4.25Å; Y86-Q90 VanDerWaalsContact CZ-NE2 3.26Å; Y86-Q90 VanDerWaalsContact O-CG 3.3Å; Y86-Q90 WeakPolarHBondContact O-CG 3.45Å; Y86-Q90 PolarHBondContact O-N 3.39Å; Y86-Q90 PolarHBondContact OH-NE2 3.15Å; Y86-C102 WeakPolarHBondContact CD1-SG 3.42Å |
| 87 | G | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | W83 H84 V85 L89 Q90 R91 A99 | W83-G87 PolarHBondContact O-N 2.99Å; H84-G87 PolarHBondContact O-N 3.27Å; H84-G87 VanDerWaalsContact O-N 3.14Å; V85-G87 VanDerWaalsContact C-N 3.33Å; V85-G87 PolarHBondContact O-N 2.89Å; G87-L89 VanDerWaalsContact C-N 3.29Å; G87-L89 PolarHBondContact O-N 3.21Å; G87-Q90 PolarHBondContact O-N 3.32Å; G87-R91 WeakPolarHBondContact O-CB 3.27Å; G87-R91 PolarHBondContact O-N 3.37Å; G87-A99 WeakPolarHBondContact O-CB 3.3Å |
| 88 | L | 92.6 | Very high | 92.9 | Very high | 17 Ų | 17 | 42.8 Ų | 42.8 | 9% | 0.089 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -38.3 | 175.5 | -70.9 | 171 | 0 | 0 | 0 | 111.9 | L54 H84 V85 R91 S92 Y103 | L54-L88 HydrophobicContact CD1-CB 4.12Å; L54-L88 HydrophobicContact CD2-CD1 3.99Å; H84-L88 WeakPolarHBondContact O-CG 3.4Å; H84-L88 PolarHBondContact O-N 2.86Å; V85-L88 PolarHBondContact O-N 3.43Å; L88-R91 VanDerWaalsContact CD2-NH2 3.3Å; L88-S92 PolarHBondContact O-N 3.08Å; L88-Y103 WeakPolarHBondContact CD2-OH 3.42Å |
| 89 | L | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.5 | -51.7 | 175.5 | -177.9 | 63.7 | 0 | 0 | 0 | 111.2 | N57 A65 Y66 V69 V85 Y86 G87 R91 S92 D93 | N57-L89 HydrophobicContact CB-CD1 3.65Å; N57-L89 WeakPolarHBondContact OD1-CD1 3.31Å; A65-L89 HydrophobicContact CB-CD1 4.36Å; Y66-L89 HydrophobicContact CD1-CD2 3.8Å; Y66-L89 HydrophobicContact CD2-CD2 3.98Å; Y66-L89 HydrophobicContact CD2-CG 4.4Å; Y66-L89 HydrophobicContact CE1-CD2 3.87Å; Y66-L89 HydrophobicContact CE1-CG 4.21Å; Y66-L89 HydrophobicContact CE2-CD1 4.18Å; Y66-L89 HydrophobicContact CE2-CD2 4.04Å; Y66-L89 HydrophobicContact CE2-CG 3.99Å; Y66-L89 HydrophobicContact CG-CD2 3.86Å; V69-L89 HydrophobicContact CB-CD2 4.04Å; V69-L89 HydrophobicContact CG1-CD2 4.31Å; V69-L89 HydrophobicContact CG2-CD2 4.03Å; V85-L89 PolarHBondContact O-N 3.44Å; Y86-L89 HydrophobicContact CD2-CD2 4.39Å; Y86-L89 WeakPolarHBondContact O-CB 3.07Å; Y86-L89 PolarHBondContact O-N 3.08Å; G87-L89 VanDerWaalsContact C-N 3.29Å; G87-L89 PolarHBondContact O-N 3.21Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.23Å; L89-S92 PolarHBondContact O-N 2.76Å; L89-S92 VanDerWaalsContact O-N 3.11Å; L89-S92 PolarHBondContact O-OG 3.21Å; L89-D93 PolarHBondContact O-N 2.82Å |
| 90 | Q | 92.8 | Very high | 93.4 | Very high | 9 Ų | 9 | 36.6 Ų | 36.6 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.1 | -40.2 | 178.4 | -65 | -72.9 | -0.5 | 0 | 0 | 111.9 | Y66 Y86 G87 S92 D93 K94 K95 E98 A99 | Y66-Q90 PolarHBondContact OH-OE1 2.87Å; Y86-Q90 HydrophobicContact CD2-CG 4.45Å; Y86-Q90 HydrophobicContact CE2-CG 4.25Å; Y86-Q90 VanDerWaalsContact CZ-NE2 3.26Å; Y86-Q90 VanDerWaalsContact O-CG 3.3Å; Y86-Q90 WeakPolarHBondContact O-CG 3.45Å; Y86-Q90 PolarHBondContact O-N 3.39Å; Y86-Q90 PolarHBondContact OH-NE2 3.15Å; G87-Q90 PolarHBondContact O-N 3.32Å; Q90-S92 VanDerWaalsContact C-N 3.32Å; Q90-S92 PolarHBondContact O-N 2.86Å; Q90-D93 CarbonylContact O-C 3.54Å; Q90-D93 PolarHBondContact O-N 3.49Å; Q90-D93 VanDerWaalsContact O-N 3.16Å; Q90-K94 PolarHBondContact O-N 2.98Å; Q90-K95 HydrophobicContact CB-CB 4.34Å; Q90-K95 PolarHBondContact O-N 3.1Å; Q90-E98 HydrophobicContact CB-CB 4.39Å; Q90-E98 HydrophobicContact CG-CB 4.26Å; Q90-A99 HydrophobicContact CB-CB 4.03Å |
| 91 | R | 92.5 | Very high | 93.6 | Very high | 60 Ų | 60 | 39.2 Ų | 39.2 | 23% | 0.226 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 174.2 | -177.6 | -176.2 | 74.8 | 179.7 | 3.5 | 111.7 | G87 L88 L89 D93 K94 Y96 A99 D119 L123 F523 | G87-R91 WeakPolarHBondContact O-CB 3.27Å; G87-R91 PolarHBondContact O-N 3.37Å; L88-R91 VanDerWaalsContact CD2-NH2 3.3Å; L89-R91 VanDerWaalsContact C-N 3.32Å; L89-R91 PolarHBondContact O-N 3.23Å; R91-D93 PolarHBondContact O-N 3.03Å; R91-K94 PolarHBondContact O-N 3.48Å; R91-Y96 HydrophobicContact CG-CD1 4.31Å; R91-Y96 HydrophobicContact CG-CE1 4.17Å; R91-A99 HydrophobicContact CB-CB 4.11Å; R91-D119 IonicContact NH1-OD1 2.76Å; R91-D119 PolarHBondContact NH1-OD1 3.13Å; R91-L123 HydrophobicContact CG-CD2 4.01Å; R91-F523 HydrophobicContact CG-CZ 4.49Å |
| 92 | S | 89.5 | Confident | 93.8 | Very high | 40 Ų | 40 | 38.4 Ų | 38.4 | 28% | 0.28 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.5 | -25.1 | 179.4 | 76 | 0 | 0 | 0 | 0 | 113.1 | N57 L88 L89 Q90 | N57-S92 PolarHBondContact ND2-OG 3.49Å; L88-S92 PolarHBondContact O-N 3.08Å; L89-S92 PolarHBondContact O-N 2.76Å; L89-S92 VanDerWaalsContact O-N 3.11Å; L89-S92 PolarHBondContact O-OG 3.21Å; Q90-S92 VanDerWaalsContact C-N 3.32Å; Q90-S92 PolarHBondContact O-N 2.86Å |
| 93 | D | 88.7 | Confident | 93.9 | Very high | 44 Ų | 44 | 38.4 Ų | 38.4 | 24% | 0.235 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 19.9 | 174.9 | -59.5 | -24 | 0 | 0 | 0 | 112.5 | K62 Y66 L89 Q90 R91 K95 | K62-D93 IonicContact NZ-OD1 3.73Å; K62-D93 PolarHBondContact NZ-OD1 3.16Å; Y66-D93 WeakPolarHBondContact CE2-OD2 3.48Å; Y66-D93 PolarHBondContact OH-OD2 2.81Å; L89-D93 PolarHBondContact O-N 2.82Å; Q90-D93 CarbonylContact O-C 3.54Å; Q90-D93 PolarHBondContact O-N 3.49Å; Q90-D93 VanDerWaalsContact O-N 3.16Å; R91-D93 PolarHBondContact O-N 3.03Å; D93-K95 PolarHBondContact O-N 3.49Å; D93-K95 VanDerWaalsContact O-N 3.09Å |
| 94 | K | 91.6 | Very high | 93.8 | Very high | 103 Ų | 103 | 43.5 Ų | 43.5 | 45% | 0.448 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 18 | 174.6 | -51.3 | -64.4 | -160.7 | -90 | 0 | 114.6 | Q90 R91 Y96 D520 | Q90-K94 PolarHBondContact O-N 2.98Å; R91-K94 PolarHBondContact O-N 3.48Å; K94-Y96 VanDerWaalsContact C-N 3.31Å; K94-Y96 HydrophobicContact CD-CE1 4.38Å; K94-Y96 WeakPolarHBondContact CD-OH 3.08Å; K94-Y96 PolarHBondContact O-N 3.25Å; K94-Y96 VanDerWaalsContact O-N 3.13Å; K94-D520 HydrophobicContact CD-CB 4.43Å; K94-D520 VanDerWaalsContact CD-OD2 3.27Å; K94-D520 WeakPolarHBondContact CD-OD2 3.31Å; K94-D520 VanDerWaalsContact CE-OD2 3.27Å; K94-D520 WeakPolarHBondContact CE-OD2 3.4Å |
| 95 | K | 93.1 | Very high | 93.8 | Very high | 107 Ų | 107 | 44 Ų | 44 | 47% | 0.465 | 20% | 0.202 | S | C | . | . | trans | -88.5 | 67.1 | 175.4 | -66.6 | 168.4 | -176.6 | 169.2 | 0 | 110.2 | Q90 D93 D97 E98 A99 | Q90-K95 HydrophobicContact CB-CB 4.34Å; Q90-K95 PolarHBondContact O-N 3.1Å; D93-K95 PolarHBondContact O-N 3.49Å; D93-K95 VanDerWaalsContact O-N 3.09Å; K95-D97 PolarHBondContact O-N 3.49Å; K95-E98 HydrophobicContact CB-CB 4.34Å; K95-E98 PolarHBondContact O-N 3.06Å; K95-A99 PolarHBondContact O-N 3.43Å | ||
| 96 | Y | 94.4 | Very high | 93.8 | Very high | 17 Ų | 17 | 43.9 Ų | 43.9 | 7% | 0.067 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.8 | -40.8 | -170.6 | -59.7 | -50.8 | 0 | 0 | 0 | 113.9 | R91 K94 E98 A99 I100 L123 Q126 M127 D520 F523 | R91-Y96 HydrophobicContact CG-CD1 4.31Å; R91-Y96 HydrophobicContact CG-CE1 4.17Å; K94-Y96 VanDerWaalsContact C-N 3.31Å; K94-Y96 HydrophobicContact CD-CE1 4.38Å; K94-Y96 WeakPolarHBondContact CD-OH 3.08Å; K94-Y96 PolarHBondContact O-N 3.25Å; K94-Y96 VanDerWaalsContact O-N 3.13Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 3Å; Y96-A99 WeakPolarHBondContact O-CB 3.32Å; Y96-A99 PolarHBondContact O-N 3.14Å; Y96-A99 VanDerWaalsContact O-N 3.13Å; Y96-I100 WeakPolarHBondContact O-CG1 3.47Å; Y96-I100 PolarHBondContact O-N 2.92Å; Y96-L123 HydrophobicContact CD1-CD2 3.45Å; Y96-L123 VanDerWaalsContact CD1-CD2 3.45Å; Y96-L123 HydrophobicContact CE1-CD2 4.12Å; Y96-L123 HydrophobicContact CG-CD2 4.2Å; Y96-Q126 HydrophobicContact CD2-CG 3.93Å; Y96-Q126 HydrophobicContact CE2-CG 3.77Å; Y96-Q126 HydrophobicContact CG-CG 4.45Å; Y96-M127 VanDerWaalsContact CB-SD 3.54Å; Y96-M127 HydrophobicContact CD2-SD 3.72Å; Y96-M127 HydrophobicContact CG-SD 4.07Å; Y96-D520 WeakPolarHBondContact CE2-OD1 3.42Å; Y96-D520 VanDerWaalsContact CZ-OD1 3.31Å; Y96-D520 PolarHBondContact OH-OD1 3.48Å; Y96-F523 HydrophobicContact CE1-CD2 4.48Å |
| 97 | D | 94.1 | Very high | 93.8 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -59.9 | -41.9 | 177.6 | -71.5 | -40.2 | 0 | 0 | 0 | 112.5 | K95 I100 K101 | K95-D97 PolarHBondContact O-N 3.49Å; D97-I100 PolarHBondContact O-N 3.15Å; D97-K101 WeakPolarHBondContact O-CG 3.5Å; D97-K101 PolarHBondContact O-N 2.75Å; D97-K101 VanDerWaalsContact O-N 3.15Å |
| 98 | E | 94.6 | Very high | 93.7 | Very high | 79 Ų | 79 | 50.6 Ų | 50.6 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.6 | -36.9 | 176.5 | -66.6 | -56.9 | 140.4 | 0 | 0 | 111.6 | Q90 K95 Y96 K101 C102 | Q90-E98 HydrophobicContact CB-CB 4.39Å; Q90-E98 HydrophobicContact CG-CB 4.26Å; K95-E98 HydrophobicContact CB-CB 4.34Å; K95-E98 PolarHBondContact O-N 3.06Å; Y96-E98 VanDerWaalsContact C-N 3.32Å; Y96-E98 PolarHBondContact O-N 3Å; E98-K101 PolarHBondContact O-N 2.88Å; E98-K101 IonicContact OE1-NZ 3.91Å; E98-K101 PolarHBondContact OE1-NZ 3.11Å; E98-K101 IonicContact OE2-NZ 2.81Å; E98-C102 PolarHBondContact O-N 3.17Å; E98-C102 VanDerWaalsContact O-N 3.1Å; E98-C102 PolarHBondContact O-SG 3.23Å |
| 99 | A | 96.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -40.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G87 Q90 R91 K95 Y96 K101 C102 Y103 L123 | G87-A99 WeakPolarHBondContact O-CB 3.3Å; Q90-A99 HydrophobicContact CB-CB 4.03Å; R91-A99 HydrophobicContact CB-CB 4.11Å; K95-A99 PolarHBondContact O-N 3.43Å; Y96-A99 WeakPolarHBondContact O-CB 3.32Å; Y96-A99 PolarHBondContact O-N 3.14Å; Y96-A99 VanDerWaalsContact O-N 3.13Å; A99-K101 PolarHBondContact O-N 3.42Å; A99-C102 WeakPolarHBondContact O-CB 3.41Å; A99-C102 PolarHBondContact O-N 2.91Å; A99-C102 VanDerWaalsContact O-N 3.17Å; A99-Y103 PolarHBondContact O-N 3.16Å; A99-L123 HydrophobicContact CB-CD1 3.48Å; A99-L123 VanDerWaalsContact CB-CD1 3.48Å |
| 100 | I | 96.1 | Very high | 93.7 | Very high | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.077 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59 | -46.2 | 174 | -70.5 | 170.1 | 0 | 0 | 0 | 110.6 | Y96 D97 C102 Y103 R104 L120 L123 M127 | Y96-I100 WeakPolarHBondContact O-CG1 3.47Å; Y96-I100 PolarHBondContact O-N 2.92Å; D97-I100 PolarHBondContact O-N 3.15Å; I100-C102 VanDerWaalsContact C-N 3.28Å; I100-C102 PolarHBondContact O-N 3.18Å; I100-Y103 PolarHBondContact O-N 3.38Å; I100-R104 HydrophobicContact CG2-CG 4.37Å; I100-R104 WeakPolarHBondContact O-CG 3.38Å; I100-R104 PolarHBondContact O-N 3.22Å; I100-L120 HydrophobicContact CB-CD1 4.43Å; I100-L120 HydrophobicContact CG1-CD1 4.33Å; I100-L120 HydrophobicContact CG2-CD1 3.97Å; I100-L123 HydrophobicContact CD1-CB 3.99Å; I100-L123 HydrophobicContact CG1-CB 3.56Å; I100-L123 HydrophobicContact CG1-CD1 3.86Å; I100-L123 HydrophobicContact CG1-CG 4.38Å; I100-M127 HydrophobicContact CD1-CB 4.34Å; I100-M127 HydrophobicContact CD1-CG 3.9Å |
| 101 | K | 95.8 | Very high | 93.5 | Very high | 111 Ų | 111 | 64.5 Ų | 64.5 | 48% | 0.483 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -57.5 | -42.8 | 175.9 | -67.8 | 171.7 | -169 | 169.9 | 0 | 111.5 | D97 E98 A99 N105 | D97-K101 WeakPolarHBondContact O-CG 3.5Å; D97-K101 PolarHBondContact O-N 2.75Å; D97-K101 VanDerWaalsContact O-N 3.15Å; E98-K101 PolarHBondContact O-N 2.88Å; E98-K101 IonicContact OE1-NZ 3.91Å; E98-K101 PolarHBondContact OE1-NZ 3.11Å; E98-K101 IonicContact OE2-NZ 2.81Å; A99-K101 PolarHBondContact O-N 3.42Å; K101-N105 PolarHBondContact O-N 2.91Å; K101-N105 VanDerWaalsContact O-N 3.09Å; K101-N105 PolarHBondContact O-ND2 3.47Å |
| 102 | C | 96.2 | Very high | 93.6 | Very high | 4 Ų | 4 | 65 Ų | 65 | 3% | 0.027 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 178.1 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | W83 Y86 E98 A99 I100 N105 A106 | W83-C102 HydrophobicContact CE3-CB 4.27Å; Y86-C102 WeakPolarHBondContact CD1-SG 3.42Å; E98-C102 PolarHBondContact O-N 3.17Å; E98-C102 VanDerWaalsContact O-N 3.1Å; E98-C102 PolarHBondContact O-SG 3.23Å; A99-C102 WeakPolarHBondContact O-CB 3.41Å; A99-C102 PolarHBondContact O-N 2.91Å; A99-C102 VanDerWaalsContact O-N 3.17Å; I100-C102 VanDerWaalsContact C-N 3.28Å; I100-C102 PolarHBondContact O-N 3.18Å; C102-N105 PolarHBondContact O-N 3.44Å; C102-A106 PolarHBondContact O-N 3.37Å |
| 103 | Y | 96.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 178.8 | -65 | -16.9 | 0 | 0 | 0 | 112.7 | H84 L88 A99 I100 N105 A106 L107 I116 D119 L120 L123 | H84-Y103 AromaticContact CD2-CD1 3.9Å; H84-Y103 AromaticContact CD2-CE1 3.52Å; L88-Y103 WeakPolarHBondContact CD2-OH 3.42Å; A99-Y103 PolarHBondContact O-N 3.16Å; I100-Y103 PolarHBondContact O-N 3.38Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 3.35Å; Y103-A106 WeakPolarHBondContact O-CB 3.26Å; Y103-A106 PolarHBondContact O-N 3.04Å; Y103-A106 VanDerWaalsContact O-N 3.16Å; Y103-L107 WeakPolarHBondContact O-CG 3.32Å; Y103-L107 PolarHBondContact O-N 3.24Å; Y103-I116 HydrophobicContact CG-CG2 4.39Å; Y103-D119 HydrophobicContact CD2-CB 4.25Å; Y103-D119 HydrophobicContact CE2-CB 3.65Å; Y103-L120 HydrophobicContact CD2-CB 4.22Å; Y103-L123 HydrophobicContact CD2-CD1 3.56Å; Y103-L123 HydrophobicContact CD2-CG 4.43Å; Y103-L123 HydrophobicContact CE2-CD1 3.26Å; Y103-L123 HydrophobicContact CE2-CG 3.99Å |
| 104 | R | 94.3 | Very high | 93.9 | Very high | 152 Ų | 152 | 65 Ų | 65 | 57% | 0.574 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.5 | -36.8 | 172.9 | -69.6 | 177.7 | 81.5 | 168.9 | 7.8 | 111.9 | I100 K108 L120 | I100-R104 HydrophobicContact CG2-CG 4.37Å; I100-R104 WeakPolarHBondContact O-CG 3.38Å; I100-R104 PolarHBondContact O-N 3.22Å; R104-K108 PolarHBondContact O-N 3.42Å; R104-L120 HydrophobicContact CG-CD1 4.34Å; R104-L120 HydrophobicContact CG-CD2 4.31Å |
| 105 | N | 94.3 | Very high | 93.9 | Very high | 40 Ų | 40 | 64.3 Ų | 64.3 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70 | -37.4 | 173.5 | -78.3 | -40.9 | 0 | 0 | 0 | 112.6 | W83 K101 C102 Y103 K108 | W83-N105 HydrophobicContact CD2-CB 3.67Å; W83-N105 HydrophobicContact CE3-CB 3.9Å; W83-N105 HydrophobicContact CG-CB 4.03Å; W83-N105 HydrophobicContact CZ2-CB 4.34Å; W83-N105 HydrophobicContact CZ3-CB 4.33Å; K101-N105 PolarHBondContact O-N 2.91Å; K101-N105 VanDerWaalsContact O-N 3.09Å; K101-N105 PolarHBondContact O-ND2 3.47Å; C102-N105 PolarHBondContact O-N 3.44Å; Y103-N105 VanDerWaalsContact C-N 3.28Å; Y103-N105 PolarHBondContact O-N 3.35Å; N105-K108 WeakPolarHBondContact O-CB 3.15Å; N105-K108 PolarHBondContact O-N 3.17Å; N105-K108 PolarHBondContact OD1-NZ 3.25Å |
| 106 | A | 94.7 | Very high | 94 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | H80 W83 H84 C102 Y103 K108 W109 D110 I116 | H80-A106 HydrophobicContact CB-CB 4.38Å; W83-A106 HydrophobicContact CB-CB 3.64Å; H84-A106 HydrophobicContact CB-CB 4.47Å; C102-A106 PolarHBondContact O-N 3.37Å; Y103-A106 WeakPolarHBondContact O-CB 3.26Å; Y103-A106 PolarHBondContact O-N 3.04Å; Y103-A106 VanDerWaalsContact O-N 3.16Å; A106-K108 PolarHBondContact O-N 3.26Å; A106-W109 PolarHBondContact O-N 2.61Å; A106-D110 PolarHBondContact O-N 2.96Å; A106-D110 VanDerWaalsContact O-N 3.16Å; A106-I116 HydrophobicContact CB-CD1 3.89Å; A106-I116 HydrophobicContact CB-CG2 4.23Å |
| 107 | L | 94.1 | Very high | 94.1 | Very high | 24 Ų | 24 | 58.5 Ų | 58.5 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -66.7 | -16.2 | 178.4 | -68.9 | 169.6 | 0 | 0 | 0 | 114.1 | Y103 W109 D110 K111 I116 L117 L120 | Y103-L107 WeakPolarHBondContact O-CG 3.32Å; Y103-L107 PolarHBondContact O-N 3.24Å; L107-W109 PolarHBondContact O-N 3.1Å; L107-D110 WeakPolarHBondContact CD2-O 3.39Å; L107-D110 CarbonylContact O-C 3.47Å; L107-K111 WeakPolarHBondContact O-CA 3.24Å; L107-K111 PolarHBondContact O-N 3.1Å; L107-I116 HydrophobicContact CD1-CG2 4.24Å; L107-I116 HydrophobicContact CD2-CB 3.94Å; L107-I116 HydrophobicContact CD2-CG2 3.8Å; L107-I116 HydrophobicContact CG-CB 4.4Å; L107-I116 HydrophobicContact CG-CG2 3.69Å; L107-L117 HydrophobicContact CD1-CD2 3.7Å; L107-L117 HydrophobicContact CD1-CG 4.48Å; L107-L117 HydrophobicContact CD2-CD2 3.82Å; L107-L117 HydrophobicContact CD2-CG 3.84Å; L107-L117 HydrophobicContact CG-CD2 4.44Å; L107-L120 HydrophobicContact CD1-CD2 3.55Å |
| 108 | K | 93.7 | Very high | 94.2 | Very high | 147 Ų | 147 | 59.6 Ų | 59.6 | 64% | 0.639 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -27 | 170.9 | -68.2 | 173.3 | -176.1 | 169.1 | 0 | 112.2 | R104 N105 A106 | R104-K108 PolarHBondContact O-N 3.42Å; N105-K108 WeakPolarHBondContact O-CB 3.15Å; N105-K108 PolarHBondContact O-N 3.17Å; N105-K108 PolarHBondContact OD1-NZ 3.25Å; A106-K108 PolarHBondContact O-N 3.26Å |
| 109 | W | 92.8 | Very high | 94.2 | Very high | 126 Ų | 126 | 56.3 Ų | 56.3 | 48% | 0.477 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | -27.2 | -176.1 | -52.8 | 111.9 | 0 | 0 | 0 | 112.5 | K78 H80 W83 A106 L107 | K78-W109 HydrophobicContact CB-CD2 4.02Å; K78-W109 HydrophobicContact CB-CE3 4.01Å; K78-W109 HydrophobicContact CB-CH2 4.08Å; K78-W109 HydrophobicContact CB-CZ2 4.06Å; K78-W109 HydrophobicContact CB-CZ3 4.05Å; K78-W109 HydrophobicContact CD-CH2 3.73Å; K78-W109 HydrophobicContact CD-CZ2 4.41Å; K78-W109 HydrophobicContact CD-CZ3 3.79Å; K78-W109 HydrophobicContact CG-CE3 4.36Å; K78-W109 HydrophobicContact CG-CH2 3.55Å; K78-W109 HydrophobicContact CG-CZ2 3.71Å; K78-W109 HydrophobicContact CG-CZ3 3.89Å; K78-W109 WeakPolarHBondContact O-CB 3.29Å; H80-W109 HydrophobicContact CB-CB 4.27Å; W83-W109 AromaticContact NE1-NE1 3.97Å; A106-W109 PolarHBondContact O-N 2.61Å; L107-W109 PolarHBondContact O-N 3.1Å |
| 110 | D | 91.4 | Very high | 94.2 | Very high | 52 Ų | 52 | 56.7 Ų | 56.7 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | trans | -139.5 | 86.7 | 171.1 | -174.7 | 10.4 | 0 | 0 | 0 | 110.4 | H80 A106 L107 D112 N113 | H80-D110 HydrophobicContact CB-CB 3.93Å; A106-D110 PolarHBondContact O-N 2.96Å; A106-D110 VanDerWaalsContact O-N 3.16Å; L107-D110 WeakPolarHBondContact CD2-O 3.39Å; L107-D110 CarbonylContact O-C 3.47Å; D110-D112 VanDerWaalsContact C-N 3.32Å; D110-D112 PolarHBondContact O-N 3.37Å; D110-N113 HydrophobicContact CB-CB 4.29Å; D110-N113 PolarHBondContact O-N 3.23Å; D110-N113 VanDerWaalsContact OD2-CB 3.31Å; D110-N113 WeakPolarHBondContact OD2-CB 3.38Å; D110-N113 PolarHBondContact OD2-ND2 3.25Å | ||
| 111 | K | 89.8 | Confident | 94.3 | Very high | 140 Ų | 140 | 56 Ų | 56 | 61% | 0.609 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -26.7 | -169.5 | 62.8 | 167.3 | -171.6 | 170.2 | 0 | 114.9 | L107 Q139 | L107-K111 WeakPolarHBondContact O-CA 3.24Å; L107-K111 PolarHBondContact O-N 3.1Å; K111-Q139 PolarHBondContact O-NE2 3.06Å |
| 112 | D | 93.1 | Very high | 94.3 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 37% | 0.369 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 17.6 | -173.2 | -62.4 | -36.9 | 0 | 0 | 0 | 111.5 | D110 L114 Q139 L143 | D110-D112 VanDerWaalsContact C-N 3.32Å; D110-D112 PolarHBondContact O-N 3.37Å; D112-L114 PolarHBondContact O-N 2.99Å; D112-Q139 PolarHBondContact OD1-NE2 3.41Å; D112-L143 HydrophobicContact CB-CD1 4.22Å; D112-L143 HydrophobicContact CB-CD2 4.14Å |
| 113 | N | 93.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 51.1 Ų | 51.1 | 19% | 0.187 | 23% | 0.227 | C | C | . | . | trans | -68 | 103.3 | 176.5 | -163.2 | -60.5 | 0 | 0 | 0 | 111.1 | D110 Q115 I116 L117 | D110-N113 HydrophobicContact CB-CB 4.29Å; D110-N113 PolarHBondContact O-N 3.23Å; D110-N113 VanDerWaalsContact OD2-CB 3.31Å; D110-N113 WeakPolarHBondContact OD2-CB 3.38Å; D110-N113 PolarHBondContact OD2-ND2 3.25Å; N113-Q115 VanDerWaalsContact C-N 3.26Å; N113-Q115 PolarHBondContact O-N 2.65Å; N113-Q115 PolarHBondContact OD1-N 3.37Å; N113-Q115 VanDerWaalsContact OD1-N 3.13Å; N113-I116 HydrophobicContact CB-CB 4.15Å; N113-I116 HydrophobicContact CB-CD1 3.83Å; N113-I116 HydrophobicContact CB-CG1 4.05Å; N113-I116 PolarHBondContact O-N 3.03Å; N113-I116 PolarHBondContact OD1-N 2.98Å; N113-L117 WeakPolarHBondContact O-CG 3.45Å; N113-L117 PolarHBondContact O-N 3.25Å | ||
| 114 | L | 92.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 27% | 0.267 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -57.4 | -36.1 | -177.5 | -66.5 | 167.3 | 0 | 0 | 0 | 113.3 | D112 R118 L140 L143 R144 | D112-L114 PolarHBondContact O-N 2.99Å; L114-R118 WeakPolarHBondContact O-CB 3.47Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 3.01Å; L114-L140 HydrophobicContact CD2-CD2 4.08Å; L114-L143 HydrophobicContact CD2-CB 3.85Å; L114-L143 HydrophobicContact CD2-CD1 3.9Å; L114-R144 HydrophobicContact CD1-CG 4.04Å; L114-R144 VanDerWaalsContact CD1-NE 3.34Å; L114-R144 HydrophobicContact CD2-CG 3.79Å |
| 115 | Q | 91.6 | Very high | 94.6 | Very high | 88 Ų | 88 | 44.2 Ų | 44.2 | 41% | 0.411 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -70.6 | -44.8 | -178 | -176.8 | 57.7 | 35.1 | 0 | 0 | 110.8 | N113 R118 D119 | N113-Q115 VanDerWaalsContact C-N 3.26Å; N113-Q115 PolarHBondContact O-N 2.65Å; N113-Q115 PolarHBondContact OD1-N 3.37Å; N113-Q115 VanDerWaalsContact OD1-N 3.13Å; Q115-R118 PolarHBondContact O-N 3.46Å; Q115-D119 PolarHBondContact NE2-OD1 3.45Å; Q115-D119 PolarHBondContact NE2-OD2 2.88Å; Q115-D119 VanDerWaalsContact NE2-OD2 3.09Å; Q115-D119 PolarHBondContact O-N 3.43Å |
| 116 | I | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67 | -41.8 | 179 | -56.3 | 173.1 | 0 | 0 | 0 | 110.6 | H80 H84 Y103 A106 L107 N113 R118 D119 L120 | H80-I116 HydrophobicContact CB-CD1 4.4Å; H84-I116 HydrophobicContact CB-CD1 4.09Å; H84-I116 HydrophobicContact CB-CG1 4.22Å; Y103-I116 HydrophobicContact CG-CG2 4.39Å; A106-I116 HydrophobicContact CB-CD1 3.89Å; A106-I116 HydrophobicContact CB-CG2 4.23Å; L107-I116 HydrophobicContact CD1-CG2 4.24Å; L107-I116 HydrophobicContact CD2-CB 3.94Å; L107-I116 HydrophobicContact CD2-CG2 3.8Å; L107-I116 HydrophobicContact CG-CB 4.4Å; L107-I116 HydrophobicContact CG-CG2 3.69Å; N113-I116 HydrophobicContact CB-CB 4.15Å; N113-I116 HydrophobicContact CB-CD1 3.83Å; N113-I116 HydrophobicContact CB-CG1 4.05Å; N113-I116 PolarHBondContact O-N 3.03Å; N113-I116 PolarHBondContact OD1-N 2.98Å; I116-R118 VanDerWaalsContact C-N 3.34Å; I116-R118 PolarHBondContact O-N 2.82Å; I116-D119 PolarHBondContact O-N 2.79Å; I116-L120 VanDerWaalsContact O-CB 3.25Å; I116-L120 WeakPolarHBondContact O-CB 3.48Å; I116-L120 PolarHBondContact O-N 3.4Å |
| 117 | L | 96.3 | Very high | 94.8 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -60.8 | -42.5 | 174.6 | -72.5 | 171.3 | 0 | 0 | 0 | 111.8 | L107 N113 S121 T136 Q139 L140 L143 | L107-L117 HydrophobicContact CD1-CD2 3.7Å; L107-L117 HydrophobicContact CD1-CG 4.48Å; L107-L117 HydrophobicContact CD2-CD2 3.82Å; L107-L117 HydrophobicContact CD2-CG 3.84Å; L107-L117 HydrophobicContact CG-CD2 4.44Å; N113-L117 WeakPolarHBondContact O-CG 3.45Å; N113-L117 PolarHBondContact O-N 3.25Å; L117-S121 WeakPolarHBondContact O-CB 3.26Å; L117-S121 PolarHBondContact O-N 3.28Å; L117-T136 HydrophobicContact CB-CG2 4.24Å; L117-T136 HydrophobicContact CD2-CG2 4.1Å; L117-T136 WeakPolarHBondContact O-CG2 3.37Å; L117-Q139 HydrophobicContact CD1-CG 4.13Å; L117-Q139 VanDerWaalsContact CD2-OE1 3.26Å; L117-L140 HydrophobicContact CB-CD2 3.75Å; L117-L140 HydrophobicContact CB-CG 4.09Å; L117-L140 HydrophobicContact CD1-CD2 4.34Å; L117-L143 HydrophobicContact CD1-CD1 3.6Å |
| 118 | R | 94.6 | Very high | 95 | Very high | 117 Ų | 117 | 48 Ų | 48 | 44% | 0.442 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -53.2 | 174.9 | -74.8 | 175.3 | 71.5 | -167.4 | 2.4 | 110.7 | L114 Q115 I116 L120 S121 L122 L140 | L114-R118 WeakPolarHBondContact O-CB 3.47Å; L114-R118 WeakPolarHBondContact O-CG 3.32Å; L114-R118 PolarHBondContact O-N 3.01Å; Q115-R118 PolarHBondContact O-N 3.46Å; I116-R118 VanDerWaalsContact C-N 3.34Å; I116-R118 PolarHBondContact O-N 2.82Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.33Å; R118-S121 PolarHBondContact O-N 2.83Å; R118-S121 VanDerWaalsContact O-N 3.11Å; R118-S121 PolarHBondContact O-OG 3.48Å; R118-L122 WeakPolarHBondContact O-CG 3.31Å; R118-L122 PolarHBondContact O-N 3.42Å; R118-L122 VanDerWaalsContact O-N 3.11Å; R118-L140 HydrophobicContact CG-CD1 4.05Å; R118-L140 HydrophobicContact CG-CD2 3.93Å |
| 119 | D | 95.3 | Very high | 95.2 | Very high | 11 Ų | 11 | 43.9 Ų | 43.9 | 6% | 0.059 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.2 | -40 | 179.7 | -74 | -35.6 | 0 | 0 | 0 | 112 | H84 R91 Y103 Q115 I116 L122 L123 | H84-D119 IonicContact CE1-OD2 2.72Å; H84-D119 IonicContact NE2-OD2 3.6Å; H84-D119 PolarHBondContact NE2-OD2 3.43Å; R91-D119 IonicContact NH1-OD1 2.76Å; R91-D119 PolarHBondContact NH1-OD1 3.13Å; Y103-D119 HydrophobicContact CD2-CB 4.25Å; Y103-D119 HydrophobicContact CE2-CB 3.65Å; Q115-D119 PolarHBondContact NE2-OD1 3.45Å; Q115-D119 PolarHBondContact NE2-OD2 2.88Å; Q115-D119 VanDerWaalsContact NE2-OD2 3.09Å; Q115-D119 PolarHBondContact O-N 3.43Å; I116-D119 PolarHBondContact O-N 2.79Å; D119-L122 PolarHBondContact O-N 3.38Å; D119-L123 PolarHBondContact O-N 3.16Å |
| 120 | L | 97.2 | Very high | 95.4 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.037 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.3 | -46.8 | 174.1 | 177.3 | 61.1 | 0 | 0 | 0 | 111.7 | I100 Y103 R104 L107 I116 R118 L122 L123 Q124 | I100-L120 HydrophobicContact CB-CD1 4.43Å; I100-L120 HydrophobicContact CG1-CD1 4.33Å; I100-L120 HydrophobicContact CG2-CD1 3.97Å; Y103-L120 HydrophobicContact CD2-CB 4.22Å; R104-L120 HydrophobicContact CG-CD1 4.34Å; R104-L120 HydrophobicContact CG-CD2 4.31Å; L107-L120 HydrophobicContact CD1-CD2 3.55Å; I116-L120 VanDerWaalsContact O-CB 3.25Å; I116-L120 WeakPolarHBondContact O-CB 3.48Å; I116-L120 PolarHBondContact O-N 3.4Å; R118-L120 VanDerWaalsContact C-N 3.28Å; R118-L120 PolarHBondContact O-N 3.33Å; L120-L122 PolarHBondContact O-N 2.67Å; L120-L123 PolarHBondContact O-N 3.23Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L120-Q124 HydrophobicContact CD1-CG 4.01Å; L120-Q124 HydrophobicContact CG-CG 4.25Å; L120-Q124 WeakPolarHBondContact O-CG 3.41Å; L120-Q124 PolarHBondContact O-N 3.44Å |
| 121 | S | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59.4 | -35.4 | 178.5 | 74.6 | 0 | 0 | 0 | 0 | 112.3 | L117 R118 Q124 I125 Y133 R137 | L117-S121 WeakPolarHBondContact O-CB 3.26Å; L117-S121 PolarHBondContact O-N 3.28Å; R118-S121 PolarHBondContact O-N 2.83Å; R118-S121 VanDerWaalsContact O-N 3.11Å; R118-S121 PolarHBondContact O-OG 3.48Å; S121-Q124 PolarHBondContact O-N 2.98Å; S121-I125 WeakPolarHBondContact O-CG2 3.35Å; S121-I125 PolarHBondContact O-N 3.03Å; S121-I125 VanDerWaalsContact O-N 3.12Å; S121-Y133 WeakPolarHBondContact O-CD2 3.49Å; S121-Y133 VanDerWaalsContact O-CE2 3.28Å; S121-Y133 WeakPolarHBondContact O-CE2 3.5Å; S121-R137 PolarHBondContact OG-NH2 3.24Å |
| 122 | L | 97.2 | Very high | 95.9 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 7% | 0.068 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -67.5 | -40.6 | 177.1 | -57.1 | 178.2 | 0 | 0 | 0 | 111.7 | R118 D119 L120 I125 Q126 F523 H526 T527 | R118-L122 WeakPolarHBondContact O-CG 3.31Å; R118-L122 PolarHBondContact O-N 3.42Å; R118-L122 VanDerWaalsContact O-N 3.11Å; D119-L122 PolarHBondContact O-N 3.38Å; L120-L122 PolarHBondContact O-N 2.67Å; L122-I125 VanDerWaalsContact O-CG2 3.28Å; L122-I125 WeakPolarHBondContact O-CG2 3.43Å; L122-Q126 WeakPolarHBondContact O-CB 3.29Å; L122-Q126 PolarHBondContact O-N 2.88Å; L122-F523 HydrophobicContact CB-CE2 3.96Å; L122-F523 HydrophobicContact CB-CZ 3.97Å; L122-F523 HydrophobicContact CD1-CZ 4.48Å; L122-H526 HydrophobicContact CD2-CB 3.63Å; L122-T527 HydrophobicContact CD1-CG2 3.49Å; L122-T527 VanDerWaalsContact CD1-CG2 3.49Å; L122-T527 HydrophobicContact CD2-CG2 3.53Å; L122-T527 HydrophobicContact CG-CG2 4.14Å |
| 123 | L | 97.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.1 | -39.5 | 176.1 | -65.6 | -173.9 | 0 | 0 | 0 | 112.3 | R91 Y96 A99 I100 Y103 D119 L120 Q126 M127 F523 | R91-L123 HydrophobicContact CG-CD2 4.01Å; Y96-L123 HydrophobicContact CD1-CD2 3.45Å; Y96-L123 VanDerWaalsContact CD1-CD2 3.45Å; Y96-L123 HydrophobicContact CE1-CD2 4.12Å; Y96-L123 HydrophobicContact CG-CD2 4.2Å; A99-L123 HydrophobicContact CB-CD1 3.48Å; A99-L123 VanDerWaalsContact CB-CD1 3.48Å; I100-L123 HydrophobicContact CD1-CB 3.99Å; I100-L123 HydrophobicContact CG1-CB 3.56Å; I100-L123 HydrophobicContact CG1-CD1 3.86Å; I100-L123 HydrophobicContact CG1-CG 4.38Å; Y103-L123 HydrophobicContact CD2-CD1 3.56Å; Y103-L123 HydrophobicContact CD2-CG 4.43Å; Y103-L123 HydrophobicContact CE2-CD1 3.26Å; Y103-L123 HydrophobicContact CE2-CG 3.99Å; D119-L123 PolarHBondContact O-N 3.16Å; L120-L123 PolarHBondContact O-N 3.23Å; L120-L123 VanDerWaalsContact O-N 3.12Å; L123-Q126 PolarHBondContact O-N 2.78Å; L123-M127 WeakPolarHBondContact O-CG 3.4Å; L123-M127 PolarHBondContact O-N 2.87Å; L123-F523 HydrophobicContact CD2-CE2 3.8Å; L123-F523 HydrophobicContact CD2-CZ 4.12Å |
| 124 | Q | 97.7 | Very high | 96.4 | Very high | 8 Ų | 8 | 33.4 Ų | 33.4 | 4% | 0.037 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.4 | -45.1 | 179.2 | -73.4 | 172.3 | -46.3 | 0 | 0 | 111.3 | L120 S121 M127 R128 D129 G132 Y133 T136 | L120-Q124 HydrophobicContact CD1-CG 4.01Å; L120-Q124 HydrophobicContact CG-CG 4.25Å; L120-Q124 WeakPolarHBondContact O-CG 3.41Å; L120-Q124 PolarHBondContact O-N 3.44Å; S121-Q124 PolarHBondContact O-N 2.98Å; Q124-M127 CarbonylContact O-C 3.6Å; Q124-M127 PolarHBondContact O-N 3.33Å; Q124-R128 PolarHBondContact O-N 3.16Å; Q124-D129 HydrophobicContact CB-CB 4.22Å; Q124-D129 HydrophobicContact CG-CB 4.42Å; Q124-D129 PolarHBondContact O-N 2.65Å; Q124-G132 VanDerWaalsContact NE2-CA 3.29Å; Q124-G132 PolarHBondContact NE2-O 3.45Å; Q124-G132 VanDerWaalsContact NE2-O 3.13Å; Q124-G132 PolarHBondContact OE1-O 3.38Å; Q124-G132 VanDerWaalsContact OE1-O 3.09Å; Q124-Y133 HydrophobicContact CB-CD2 4.47Å; Q124-T136 PolarHBondContact OE1-OG1 2.78Å |
| 125 | I | 97.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.9 | -36.9 | 175.9 | -168.1 | 155.4 | 0 | 0 | 0 | 112.2 | S121 L122 M127 R128 Y133 L160 H526 Y538 L542 | S121-I125 WeakPolarHBondContact O-CG2 3.35Å; S121-I125 PolarHBondContact O-N 3.03Å; S121-I125 VanDerWaalsContact O-N 3.12Å; L122-I125 VanDerWaalsContact O-CG2 3.28Å; L122-I125 WeakPolarHBondContact O-CG2 3.43Å; I125-M127 VanDerWaalsContact C-N 3.27Å; I125-M127 PolarHBondContact O-N 3.12Å; I125-R128 WeakPolarHBondContact O-CD 3.5Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-R128 VanDerWaalsContact O-N 3.08Å; I125-R128 PolarHBondContact O-NH1 3.27Å; I125-Y133 HydrophobicContact CB-CD2 3.79Å; I125-Y133 HydrophobicContact CB-CE2 3.79Å; I125-Y133 HydrophobicContact CB-CG 4.13Å; I125-Y133 HydrophobicContact CD1-CD1 4.15Å; I125-Y133 HydrophobicContact CD1-CE1 3.63Å; I125-Y133 HydrophobicContact CD1-CE2 4.09Å; I125-Y133 HydrophobicContact CG2-CD2 4.34Å; I125-Y133 HydrophobicContact CG2-CE2 4Å; I125-L160 HydrophobicContact CD1-CD1 3.88Å; I125-L160 HydrophobicContact CG1-CD1 4.47Å; I125-H526 HydrophobicContact CG2-CB 4.36Å; I125-Y538 HydrophobicContact CD1-CE1 4.48Å; I125-Y538 VanDerWaalsContact CD1-OH 3.31Å; I125-Y538 WeakPolarHBondContact CD1-OH 3.45Å; I125-L542 HydrophobicContact CD1-CD1 3.94Å; I125-L542 HydrophobicContact CG1-CD1 4.4Å |
| 126 | Q | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 33 Ų | 33 | 7% | 0.07 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.9 | -42.5 | 173.3 | -177.9 | 66.4 | 18.3 | 0 | 0 | 111.4 | Y96 L122 L123 R128 T519 F523 H526 | Y96-Q126 HydrophobicContact CD2-CG 3.93Å; Y96-Q126 HydrophobicContact CE2-CG 3.77Å; Y96-Q126 HydrophobicContact CG-CG 4.45Å; L122-Q126 WeakPolarHBondContact O-CB 3.29Å; L122-Q126 PolarHBondContact O-N 2.88Å; L123-Q126 PolarHBondContact O-N 2.78Å; Q126-R128 VanDerWaalsContact C-N 3.31Å; Q126-T519 PolarHBondContact NE2-O 2.99Å; Q126-T519 VanDerWaalsContact NE2-O 3.08Å; Q126-F523 HydrophobicContact CB-CD2 4.13Å; Q126-F523 HydrophobicContact CB-CE2 4.46Å; Q126-F523 HydrophobicContact CG-CD2 4.13Å; Q126-H526 PolarHBondContact OE1-NE2 2.92Å |
| 127 | M | 96.6 | Very high | 96.9 | Very high | 75 Ų | 75 | 33.4 Ų | 33.4 | 37% | 0.369 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 2.7 | 179.6 | -59.6 | -50.9 | -65.9 | 0 | 0 | 113.9 | Y96 I100 L123 Q124 I125 D129 | Y96-M127 VanDerWaalsContact CB-SD 3.54Å; Y96-M127 HydrophobicContact CD2-SD 3.72Å; Y96-M127 HydrophobicContact CG-SD 4.07Å; I100-M127 HydrophobicContact CD1-CB 4.34Å; I100-M127 HydrophobicContact CD1-CG 3.9Å; L123-M127 WeakPolarHBondContact O-CG 3.4Å; L123-M127 PolarHBondContact O-N 2.87Å; Q124-M127 CarbonylContact O-C 3.6Å; Q124-M127 PolarHBondContact O-N 3.33Å; I125-M127 VanDerWaalsContact C-N 3.27Å; I125-M127 PolarHBondContact O-N 3.12Å; M127-D129 PolarHBondContact O-N 3.05Å |
| 128 | R | 97.5 | Very high | 97 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 20% | 0.204 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | 33 | -173.6 | -57.4 | -63 | -172.5 | -89.3 | -8.3 | 113.8 | Q124 I125 Q126 L130 L542 D546 | Q124-R128 PolarHBondContact O-N 3.16Å; I125-R128 WeakPolarHBondContact O-CD 3.5Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-R128 VanDerWaalsContact O-N 3.08Å; I125-R128 PolarHBondContact O-NH1 3.27Å; Q126-R128 VanDerWaalsContact C-N 3.31Å; R128-L130 PolarHBondContact O-N 2.81Å; R128-L542 PolarHBondContact NH2-O 3.15Å; R128-D546 IonicContact CZ-OD1 3.21Å; R128-D546 IonicContact NE-OD1 3.62Å; R128-D546 PolarHBondContact NE-OD1 2.84Å; R128-D546 IonicContact NE-OD2 3.5Å; R128-D546 IonicContact NH2-OD1 2.91Å; R128-D546 PolarHBondContact NH2-OD1 3.22Å |
| 129 | D | 97.4 | Very high | 97 | Very high | 59 Ų | 59 | 36 Ų | 36 | 32% | 0.316 | 17% | 0.167 | S | C | . | . | trans | -74.9 | 74.5 | 161.9 | 176.7 | 18 | 0 | 0 | 0 | 108.7 | Q124 M127 E131 G132 Y133 | Q124-D129 HydrophobicContact CB-CB 4.22Å; Q124-D129 HydrophobicContact CG-CB 4.42Å; Q124-D129 PolarHBondContact O-N 2.65Å; M127-D129 PolarHBondContact O-N 3.05Å; D129-E131 VanDerWaalsContact C-N 3.34Å; D129-E131 PolarHBondContact O-N 3.5Å; D129-G132 PolarHBondContact O-N 3.24Å; D129-G132 PolarHBondContact OD1-N 3.49Å; D129-Y133 VanDerWaalsContact O-CB 3.26Å; D129-Y133 WeakPolarHBondContact O-CB 3.3Å; D129-Y133 PolarHBondContact O-N 3.39Å | ||
| 130 | L | 96.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 35.9 Ų | 35.9 | 20% | 0.199 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.4 | -35.2 | -171.6 | -60 | -176.3 | 0 | 0 | 0 | 112.5 | R128 Y133 R134 L160 L161 | R128-L130 PolarHBondContact O-N 2.81Å; L130-Y133 PolarHBondContact O-N 2.97Å; L130-R134 WeakPolarHBondContact O-CB 3.08Å; L130-R134 PolarHBondContact O-N 3.13Å; L130-L160 HydrophobicContact CD1-CB 4.1Å; L130-L160 WeakPolarHBondContact CD1-O 3.37Å; L130-L160 HydrophobicContact CD2-CB 4.03Å; L130-L160 HydrophobicContact CD2-CD1 4.06Å; L130-L161 HydrophobicContact CB-CD2 3.58Å; L130-L161 HydrophobicContact CB-CG 3.96Å; L130-L161 HydrophobicContact CD1-CD2 4.13Å; L130-L161 HydrophobicContact CD1-CG 4.48Å |
| 131 | E | 96.3 | Very high | 97 | Very high | 95 Ų | 95 | 36.2 Ų | 36.2 | 44% | 0.444 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -68.8 | -48.5 | 176.4 | -72.6 | -66.7 | -177.5 | 0 | 0 | 111.5 | D129 Y133 R134 E135 L161 | D129-E131 VanDerWaalsContact C-N 3.34Å; D129-E131 PolarHBondContact O-N 3.5Å; E131-Y133 VanDerWaalsContact C-N 3.25Å; E131-Y133 PolarHBondContact O-N 3.02Å; E131-R134 WeakPolarHBondContact O-CB 3.41Å; E131-R134 PolarHBondContact O-N 3.32Å; E131-R134 IonicContact OE2-CZ 3.24Å; E131-R134 VanDerWaalsContact OE2-CZ 3.29Å; E131-R134 IonicContact OE2-NE 2.89Å; E131-R134 PolarHBondContact OE2-NE 2.99Å; E131-R134 IonicContact OE2-NH2 3.9Å; E131-R134 PolarHBondContact OE2-NH2 3.37Å; E131-E135 PolarHBondContact O-N 2.97Å; E131-L161 HydrophobicContact CG-CD2 4.49Å |
| 132 | G | 96.3 | Very high | 96.9 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -38.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q124 D129 E135 T136 | Q124-G132 VanDerWaalsContact NE2-CA 3.29Å; Q124-G132 PolarHBondContact NE2-O 3.45Å; Q124-G132 VanDerWaalsContact NE2-O 3.13Å; Q124-G132 PolarHBondContact OE1-O 3.38Å; Q124-G132 VanDerWaalsContact OE1-O 3.09Å; D129-G132 PolarHBondContact O-N 3.24Å; D129-G132 PolarHBondContact OD1-N 3.49Å; G132-E135 PolarHBondContact O-N 3.05Å; G132-T136 PolarHBondContact O-N 3.03Å; G132-T136 PolarHBondContact O-OG1 2.81Å |
| 133 | Y | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61.8 | -45.3 | 175.5 | -177.9 | -113.3 | 0 | 0 | 0 | 112 | S121 Q124 I125 D129 L130 E131 T136 R137 A157 | S121-Y133 WeakPolarHBondContact O-CD2 3.49Å; S121-Y133 VanDerWaalsContact O-CE2 3.28Å; S121-Y133 WeakPolarHBondContact O-CE2 3.5Å; Q124-Y133 HydrophobicContact CB-CD2 4.47Å; I125-Y133 HydrophobicContact CB-CD2 3.79Å; I125-Y133 HydrophobicContact CB-CE2 3.79Å; I125-Y133 HydrophobicContact CB-CG 4.13Å; I125-Y133 HydrophobicContact CD1-CD1 4.15Å; I125-Y133 HydrophobicContact CD1-CE1 3.63Å; I125-Y133 HydrophobicContact CD1-CE2 4.09Å; I125-Y133 HydrophobicContact CG2-CD2 4.34Å; I125-Y133 HydrophobicContact CG2-CE2 4Å; D129-Y133 VanDerWaalsContact O-CB 3.26Å; D129-Y133 WeakPolarHBondContact O-CB 3.3Å; D129-Y133 PolarHBondContact O-N 3.39Å; L130-Y133 PolarHBondContact O-N 2.97Å; E131-Y133 VanDerWaalsContact C-N 3.25Å; E131-Y133 PolarHBondContact O-N 3.02Å; Y133-T136 PolarHBondContact O-N 3.32Å; Y133-R137 HydrophobicContact CD1-CG 4.26Å; Y133-R137 HydrophobicContact CD2-CG 4.1Å; Y133-R137 HydrophobicContact CE1-CG 3.92Å; Y133-R137 HydrophobicContact CE2-CG 3.78Å; Y133-R137 HydrophobicContact CG-CG 4.35Å; Y133-R137 VanDerWaalsContact O-CB 3.31Å; Y133-R137 WeakPolarHBondContact O-CB 3.36Å; Y133-R137 VanDerWaalsContact O-CG 3.23Å; Y133-R137 WeakPolarHBondContact O-CG 3.49Å; Y133-R137 PolarHBondContact O-N 2.85Å; Y133-R137 PolarHBondContact OH-NE 3.16Å; Y133-R137 PolarHBondContact OH-NH2 3.04Å; Y133-R137 VanDerWaalsContact OH-NH2 3.1Å; Y133-A157 HydrophobicContact CD1-CB 3.58Å; Y133-A157 HydrophobicContact CE1-CB 3.81Å |
| 134 | R | 98 | Very high | 96.6 | Very high | 61 Ų | 61 | 49.8 Ų | 49.8 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.3 | -47.6 | 176.9 | -176.5 | -176.5 | 61.6 | 83.3 | 6.5 | 111.7 | L130 E131 R137 Y138 Y154 A157 Y158 L161 | L130-R134 WeakPolarHBondContact O-CB 3.08Å; L130-R134 PolarHBondContact O-N 3.13Å; E131-R134 WeakPolarHBondContact O-CB 3.41Å; E131-R134 PolarHBondContact O-N 3.32Å; E131-R134 IonicContact OE2-CZ 3.24Å; E131-R134 VanDerWaalsContact OE2-CZ 3.29Å; E131-R134 IonicContact OE2-NE 2.89Å; E131-R134 PolarHBondContact OE2-NE 2.99Å; E131-R134 IonicContact OE2-NH2 3.9Å; E131-R134 PolarHBondContact OE2-NH2 3.37Å; R134-R137 PolarHBondContact O-N 3.12Å; R134-Y138 WeakPolarHBondContact O-CB 3.46Å; R134-Y138 PolarHBondContact O-N 3.17Å; R134-Y154 HydrophobicContact CG-CE2 4.26Å; R134-A157 HydrophobicContact CB-CB 3.95Å; R134-A157 HydrophobicContact CG-CB 4.28Å; R134-Y158 VanDerWaalsContact CD-CE1 3.49Å; R134-Y158 HydrophobicContact CG-CE1 4.39Å; R134-Y158 HydrophobicContact CG-CE2 4.31Å; R134-L161 HydrophobicContact CB-CD1 4.14Å; R134-L161 HydrophobicContact CG-CD1 4.36Å |
| 135 | E | 96.6 | Very high | 96.3 | Very high | 124 Ų | 124 | 52.8 Ų | 52.8 | 58% | 0.579 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.3 | -49 | 177.5 | -71.3 | -177.9 | 171.2 | 0 | 0 | 111.9 | E131 G132 R137 Y138 Q139 | E131-E135 PolarHBondContact O-N 2.97Å; G132-E135 PolarHBondContact O-N 3.05Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 3.47Å; E135-Y138 WeakPolarHBondContact O-CB 3.34Å; E135-Y138 PolarHBondContact O-N 3.35Å; E135-Q139 PolarHBondContact O-N 3.34Å |
| 136 | T | 97.2 | Very high | 95.9 | Very high | 8 Ų | 8 | 57.7 Ų | 57.7 | 5% | 0.049 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 179.4 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | L117 Q124 G132 Y133 Q139 L140 | L117-T136 HydrophobicContact CB-CG2 4.24Å; L117-T136 HydrophobicContact CD2-CG2 4.1Å; L117-T136 WeakPolarHBondContact O-CG2 3.37Å; Q124-T136 PolarHBondContact OE1-OG1 2.78Å; G132-T136 PolarHBondContact O-N 3.03Å; G132-T136 PolarHBondContact O-OG1 2.81Å; Y133-T136 PolarHBondContact O-N 3.32Å; T136-Q139 PolarHBondContact O-N 3.2Å; T136-L140 HydrophobicContact CG2-CD1 4.42Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 3.41Å |
| 137 | R | 97.5 | Very high | 95.5 | Very high | 7 Ų | 7 | 61.1 Ų | 61.1 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.8 | -37.2 | 176.6 | -74.3 | -63.7 | -171.4 | -157.4 | -10.8 | 112.7 | S121 Y133 R134 E135 L140 L141 Y154 | S121-R137 PolarHBondContact OG-NH2 3.24Å; Y133-R137 HydrophobicContact CD1-CG 4.26Å; Y133-R137 HydrophobicContact CD2-CG 4.1Å; Y133-R137 HydrophobicContact CE1-CG 3.92Å; Y133-R137 HydrophobicContact CE2-CG 3.78Å; Y133-R137 HydrophobicContact CG-CG 4.35Å; Y133-R137 VanDerWaalsContact O-CB 3.31Å; Y133-R137 WeakPolarHBondContact O-CB 3.36Å; Y133-R137 VanDerWaalsContact O-CG 3.23Å; Y133-R137 WeakPolarHBondContact O-CG 3.49Å; Y133-R137 PolarHBondContact O-N 2.85Å; Y133-R137 PolarHBondContact OH-NE 3.16Å; Y133-R137 PolarHBondContact OH-NH2 3.04Å; Y133-R137 VanDerWaalsContact OH-NH2 3.1Å; R134-R137 PolarHBondContact O-N 3.12Å; E135-R137 VanDerWaalsContact C-N 3.34Å; E135-R137 PolarHBondContact O-N 3.47Å; R137-L140 PolarHBondContact O-N 3.34Å; R137-L141 WeakPolarHBondContact O-CB 3.47Å; R137-L141 PolarHBondContact O-N 3.25Å; R137-Y154 HydrophobicContact CB-CD2 4.26Å |
| 138 | Y | 97 | Very high | 95.1 | Very high | 111 Ų | 111 | 62.4 Ų | 62.4 | 44% | 0.435 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -47.5 | 171.7 | 179.6 | -113.5 | 0 | 0 | 0 | 111.3 | R134 E135 L140 L141 Q142 Y154 | R134-Y138 WeakPolarHBondContact O-CB 3.46Å; R134-Y138 PolarHBondContact O-N 3.17Å; E135-Y138 WeakPolarHBondContact O-CB 3.34Å; E135-Y138 PolarHBondContact O-N 3.35Å; Y138-L140 VanDerWaalsContact C-N 3.33Å; Y138-L140 PolarHBondContact O-N 3.32Å; Y138-L141 WeakPolarHBondContact O-CB 3.49Å; Y138-L141 PolarHBondContact O-N 2.72Å; Y138-L141 VanDerWaalsContact O-N 3.12Å; Y138-Q142 HydrophobicContact CD1-CG 4.42Å; Y138-Q142 HydrophobicContact CD2-CG 4.48Å; Y138-Q142 HydrophobicContact CE1-CG 4.03Å; Y138-Q142 HydrophobicContact CE2-CG 4.11Å; Y138-Q142 WeakPolarHBondContact O-CG 3.33Å; Y138-Q142 PolarHBondContact O-N 3.49Å; Y138-Y154 HydrophobicContact CD2-CE1 4.12Å; Y138-Y154 AromaticContact CD2-CE2 3.89Å; Y138-Y154 HydrophobicContact CD2-CE2 3.89Å; Y138-Y154 AromaticContact CD2-CZ 3.5Å; Y138-Y154 VanDerWaalsContact CD2-CZ 3.5Å; Y138-Y154 WeakPolarHBondContact CD2-OH 3.42Å; Y138-Y154 HydrophobicContact CG-CE2 4.17Å |
| 139 | Q | 95.9 | Very high | 94.8 | Very high | 63 Ų | 63 | 61.6 Ų | 61.6 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 177.4 | -167.9 | -178.4 | -2.6 | 0 | 0 | 111.7 | K111 D112 L117 E135 T136 L141 Q142 L143 | K111-Q139 PolarHBondContact O-NE2 3.06Å; D112-Q139 PolarHBondContact OD1-NE2 3.41Å; L117-Q139 HydrophobicContact CD1-CG 4.13Å; L117-Q139 VanDerWaalsContact CD2-OE1 3.26Å; E135-Q139 PolarHBondContact O-N 3.34Å; T136-Q139 PolarHBondContact O-N 3.2Å; Q139-L141 VanDerWaalsContact C-N 3.32Å; Q139-L141 PolarHBondContact O-N 2.87Å; Q139-Q142 PolarHBondContact O-N 3.16Å; Q139-L143 HydrophobicContact CG-CD1 4.15Å; Q139-L143 VanDerWaalsContact O-CG 3.32Å; Q139-L143 WeakPolarHBondContact O-CG 3.37Å; Q139-L143 PolarHBondContact O-N 3.06Å |
| 140 | L | 95.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 59 Ų | 59 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 174.8 | -75.9 | 170.2 | 0 | 0 | 0 | 112.7 | L114 L117 R118 T136 R137 Y138 R144 | L114-L140 HydrophobicContact CD2-CD2 4.08Å; L117-L140 HydrophobicContact CB-CD2 3.75Å; L117-L140 HydrophobicContact CB-CG 4.09Å; L117-L140 HydrophobicContact CD1-CD2 4.34Å; R118-L140 HydrophobicContact CG-CD1 4.05Å; R118-L140 HydrophobicContact CG-CD2 3.93Å; T136-L140 HydrophobicContact CG2-CD1 4.42Å; T136-L140 WeakPolarHBondContact O-CG 3.4Å; T136-L140 PolarHBondContact O-N 3.41Å; R137-L140 PolarHBondContact O-N 3.34Å; Y138-L140 VanDerWaalsContact C-N 3.33Å; Y138-L140 PolarHBondContact O-N 3.32Å; L140-R144 PolarHBondContact O-N 2.67Å |
| 141 | L | 95.6 | Very high | 94.4 | Very high | 15 Ų | 15 | 58.8 Ų | 58.8 | 8% | 0.079 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.7 | -44.2 | 174.7 | -178.4 | 65.8 | 0 | 0 | 0 | 112 | R137 Y138 Q139 L143 R144 P145 W151 Y154 | R137-L141 WeakPolarHBondContact O-CB 3.47Å; R137-L141 PolarHBondContact O-N 3.25Å; Y138-L141 WeakPolarHBondContact O-CB 3.49Å; Y138-L141 PolarHBondContact O-N 2.72Å; Y138-L141 VanDerWaalsContact O-N 3.12Å; Q139-L141 VanDerWaalsContact C-N 3.32Å; Q139-L141 PolarHBondContact O-N 2.87Å; L141-L143 PolarHBondContact O-N 2.76Å; L141-R144 CarbonylContact O-C 3.41Å; L141-R144 PolarHBondContact O-N 3.29Å; L141-P145 VanDerWaalsContact O-CA 3.31Å; L141-P145 WeakPolarHBondContact O-CA 3.27Å; L141-P145 VanDerWaalsContact O-CD 3.31Å; L141-P145 WeakPolarHBondContact O-CD 3.47Å; L141-W151 HydrophobicContact CD1-CD2 3.89Å; L141-W151 HydrophobicContact CD1-CG 3.97Å; L141-W151 HydrophobicContact CD1-CZ2 4.39Å; L141-Y154 HydrophobicContact CD2-CD1 3.53Å; L141-Y154 HydrophobicContact CD2-CE1 4.02Å; L141-Y154 HydrophobicContact CD2-CG 4.15Å |
| 142 | Q | 95.6 | Very high | 94.4 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 176.4 | -64.9 | -55.1 | -42.6 | 0 | 0 | 112.1 | Y138 Q139 | Y138-Q142 HydrophobicContact CD1-CG 4.42Å; Y138-Q142 HydrophobicContact CD2-CG 4.48Å; Y138-Q142 HydrophobicContact CE1-CG 4.03Å; Y138-Q142 HydrophobicContact CE2-CG 4.11Å; Y138-Q142 WeakPolarHBondContact O-CG 3.33Å; Y138-Q142 PolarHBondContact O-N 3.49Å; Q139-Q142 PolarHBondContact O-N 3.16Å |
| 143 | L | 95.1 | Very high | 94.3 | Very high | 58 Ų | 58 | 53.9 Ų | 53.9 | 30% | 0.304 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -74 | -34.2 | 179.5 | -68.2 | 172.9 | 0 | 0 | 0 | 112.9 | D112 L114 L117 Q139 L141 | D112-L143 HydrophobicContact CB-CD1 4.22Å; D112-L143 HydrophobicContact CB-CD2 4.14Å; L114-L143 HydrophobicContact CD2-CB 3.85Å; L114-L143 HydrophobicContact CD2-CD1 3.9Å; L117-L143 HydrophobicContact CD1-CD1 3.6Å; Q139-L143 HydrophobicContact CG-CD1 4.15Å; Q139-L143 VanDerWaalsContact O-CG 3.32Å; Q139-L143 WeakPolarHBondContact O-CG 3.37Å; Q139-L143 PolarHBondContact O-N 3.06Å; L141-L143 PolarHBondContact O-N 2.76Å |
| 144 | R | 92.8 | Very high | 94.3 | Very high | 125 Ų | 125 | 55.1 Ų | 55.1 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | trans | -140.3 | 72.5 | -175.6 | -65.6 | -64.9 | -175.1 | 170.8 | -0.3 | 111.7 | L114 L140 L141 A146 Q147 S150 | L114-R144 HydrophobicContact CD1-CG 4.04Å; L114-R144 VanDerWaalsContact CD1-NE 3.34Å; L114-R144 HydrophobicContact CD2-CG 3.79Å; L140-R144 PolarHBondContact O-N 2.67Å; L141-R144 CarbonylContact O-C 3.41Å; L141-R144 PolarHBondContact O-N 3.29Å; R144-A146 VanDerWaalsContact C-N 3.28Å; R144-A146 PolarHBondContact O-N 2.99Å; R144-Q147 HydrophobicContact CB-CB 4.48Å; R144-Q147 HydrophobicContact CB-CG 4.13Å; R144-Q147 PolarHBondContact O-N 2.82Å; R144-S150 PolarHBondContact O-OG 3.4Å | ||
| 145 | P | 91.8 | Very high | 94.3 | Very high | 72 Ų | 72 | 52.2 Ų | 52.2 | 47% | 0.468 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -21.9 | -179.6 | 27.3 | -34.6 | 0 | 0 | 0 | 113.3 | L141 Q147 W151 | L141-P145 VanDerWaalsContact O-CA 3.31Å; L141-P145 WeakPolarHBondContact O-CA 3.27Å; L141-P145 VanDerWaalsContact O-CD 3.31Å; L141-P145 WeakPolarHBondContact O-CD 3.47Å; P145-Q147 PolarHBondContact O-N 3.26Å; P145-W151 PolarHBondContact O-NE1 2.81Å |
| 146 | A | 88.9 | Confident | 94.4 | Very high | 102 Ų | 102 | 46.3 Ų | 46.3 | 84% | 0.843 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -11.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | R144 | R144-A146 VanDerWaalsContact C-N 3.28Å; R144-A146 PolarHBondContact O-N 2.99Å |
| 147 | Q | 88.1 | Confident | 94.4 | Very high | 88 Ų | 88 | 46 Ų | 46 | 41% | 0.411 | 23% | 0.231 | S | C | . | . | trans | -91.5 | 122.3 | -178.1 | -67 | -177.3 | 10.8 | 0 | 0 | 110.8 | R144 P145 A149 S150 | R144-Q147 HydrophobicContact CB-CB 4.48Å; R144-Q147 HydrophobicContact CB-CG 4.13Å; R144-Q147 PolarHBondContact O-N 2.82Å; P145-Q147 PolarHBondContact O-N 3.26Å; Q147-A149 PolarHBondContact O-N 2.91Å; Q147-S150 WeakPolarHBondContact O-CB 3.48Å; Q147-S150 PolarHBondContact O-N 3.07Å | ||
| 148 | R | 89.6 | Confident | 94.4 | Very high | 102 Ų | 102 | 46.7 Ų | 46.7 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -50.5 | -41.3 | 175.8 | -62.9 | -172.7 | -66.4 | 167.1 | 6.5 | 113.1 | S150 W151 I152 F174 Q178 E188 | R148-S150 PolarHBondContact O-N 2.94Å; R148-W151 PolarHBondContact O-N 3Å; R148-I152 HydrophobicContact CB-CD1 4.49Å; R148-I152 WeakPolarHBondContact O-CG1 3.37Å; R148-I152 PolarHBondContact O-N 3.31Å; R148-F174 HydrophobicContact CB-CE2 4.15Å; R148-F174 HydrophobicContact CB-CZ 3.8Å; R148-F174 HydrophobicContact CG-CE2 4.08Å; R148-F174 HydrophobicContact CG-CZ 3.93Å; R148-Q178 VanDerWaalsContact CD-NE2 3.32Å; R148-E188 IonicContact CZ-OE2 3.16Å; R148-E188 IonicContact NH1-OE2 2.66Å; R148-E188 PolarHBondContact NH1-OE2 3.33Å; R148-E188 IonicContact NH2-OE2 2.72Å; R148-E188 PolarHBondContact NH2-OE2 2.75Å |
| 149 | A | 90.2 | Very high | 94.5 | Very high | 36 Ų | 36 | 41.5 Ų | 41.5 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.9 | -28.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q147 G153 | Q147-A149 PolarHBondContact O-N 2.91Å; A149-G153 PolarHBondContact O-N 2.68Å |
| 150 | S | 91.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 4% | 0.035 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -68.7 | -45.4 | 177.2 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | R144 Q147 R148 Y154 | R144-S150 PolarHBondContact O-OG 3.4Å; Q147-S150 WeakPolarHBondContact O-CB 3.48Å; Q147-S150 PolarHBondContact O-N 3.07Å; R148-S150 PolarHBondContact O-N 2.94Å; S150-Y154 WeakPolarHBondContact O-CB 3.33Å; S150-Y154 PolarHBondContact O-N 2.94Å; S150-Y154 VanDerWaalsContact O-N 3.13Å |
| 151 | W | 95.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 42 Ų | 42 | 13% | 0.125 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64 | -49.8 | 176 | -69.4 | 90.4 | 0 | 0 | 0 | 111.7 | L141 P145 R148 G153 Y154 A155 I170 E173 F174 | L141-W151 HydrophobicContact CD1-CD2 3.89Å; L141-W151 HydrophobicContact CD1-CG 3.97Å; L141-W151 HydrophobicContact CD1-CZ2 4.39Å; P145-W151 PolarHBondContact O-NE1 2.81Å; R148-W151 PolarHBondContact O-N 3Å; W151-G153 PolarHBondContact O-N 3.3Å; W151-Y154 PolarHBondContact O-N 3.12Å; W151-A155 WeakPolarHBondContact O-CB 3.49Å; W151-A155 PolarHBondContact O-N 3.23Å; W151-I170 HydrophobicContact CE3-CG2 3.97Å; W151-E173 HydrophobicContact CH2-CG 3.9Å; W151-E173 HydrophobicContact CZ3-CB 4.05Å; W151-E173 HydrophobicContact CZ3-CG 3.93Å; W151-F174 HydrophobicContact CB-CB 4.02Å; W151-F174 HydrophobicContact CB-CD1 4.14Å; W151-F174 HydrophobicContact CB-CD2 3.4Å; W151-F174 VanDerWaalsContact CB-CD2 3.4Å; W151-F174 HydrophobicContact CB-CE1 4.5Å; W151-F174 HydrophobicContact CB-CE2 3.83Å; W151-F174 HydrophobicContact CB-CG 3.58Å; W151-F174 HydrophobicContact CB-CZ 4.35Å; W151-F174 AromaticContact CD1-CD2 3.68Å; W151-F174 AromaticContact CD1-CE2 3.95Å; W151-F174 HydrophobicContact CD2-CB 4.01Å; W151-F174 AromaticContact CD2-CD2 3.85Å; W151-F174 HydrophobicContact CD2-CD2 3.85Å; W151-F174 HydrophobicContact CD2-CG 4.25Å; W151-F174 HydrophobicContact CE3-CB 3.76Å; W151-F174 HydrophobicContact CE3-CD2 4.47Å; W151-F174 HydrophobicContact CE3-CG 4.47Å; W151-F174 HydrophobicContact CG-CB 4.16Å; W151-F174 AromaticContact CG-CD2 3.34Å; W151-F174 HydrophobicContact CG-CD2 3.34Å; W151-F174 AromaticContact CG-CE2 3.93Å; W151-F174 HydrophobicContact CG-CE2 3.93Å; W151-F174 AromaticContact CG-CG 3.89Å; W151-F174 HydrophobicContact CG-CG 3.89Å |
| 152 | I | 94.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.7 | -49.1 | -179.7 | -69 | 169.6 | 0 | 0 | 0 | 110.6 | R148 Y154 A155 I156 F174 M530 I533 L535 | R148-I152 HydrophobicContact CB-CD1 4.49Å; R148-I152 WeakPolarHBondContact O-CG1 3.37Å; R148-I152 PolarHBondContact O-N 3.31Å; I152-Y154 VanDerWaalsContact C-N 3.27Å; I152-Y154 PolarHBondContact O-N 2.72Å; I152-A155 PolarHBondContact O-N 3.04Å; I152-I156 HydrophobicContact CG2-CD1 3.55Å; I152-I156 HydrophobicContact CG2-CG1 4.41Å; I152-I156 WeakPolarHBondContact O-CB 3.42Å; I152-I156 WeakPolarHBondContact O-CD1 3.06Å; I152-I156 VanDerWaalsContact O-CG1 3.27Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 3.46Å; I152-F174 HydrophobicContact CD1-CE1 4.21Å; I152-F174 HydrophobicContact CD1-CZ 4.39Å; I152-F174 HydrophobicContact CG1-CE1 3.79Å; I152-F174 HydrophobicContact CG1-CZ 4.24Å; I152-M530 HydrophobicContact CG2-CB 4.38Å; I152-M530 HydrophobicContact CG2-CG 3.96Å; I152-I533 HydrophobicContact CD1-CG1 3.77Å; I152-I533 HydrophobicContact CD1-CG2 4.46Å; I152-L535 HydrophobicContact CG1-CD1 4.27Å; I152-L535 HydrophobicContact CG2-CD1 3.92Å; I152-L535 HydrophobicContact CG2-CD2 3.49Å; I152-L535 VanDerWaalsContact CG2-CD2 3.49Å; I152-L535 HydrophobicContact CG2-CG 4.37Å |
| 153 | G | 95.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.2 | -36.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | A149 W151 A157 | A149-G153 PolarHBondContact O-N 2.68Å; W151-G153 PolarHBondContact O-N 3.3Å; G153-A157 PolarHBondContact O-N 3.25Å; G153-A157 VanDerWaalsContact O-N 3.13Å |
| 154 | Y | 97.5 | Very high | 94.9 | Very high | 26 Ų | 26 | 45.1 Ų | 45.1 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -73.5 | -41.3 | 177.6 | -167.4 | -132.1 | 0 | 0 | 0 | 112.6 | R134 R137 Y138 L141 S150 W151 I152 A157 Y158 I170 | R134-Y154 HydrophobicContact CG-CE2 4.26Å; R137-Y154 HydrophobicContact CB-CD2 4.26Å; Y138-Y154 HydrophobicContact CD2-CE1 4.12Å; Y138-Y154 AromaticContact CD2-CE2 3.89Å; Y138-Y154 HydrophobicContact CD2-CE2 3.89Å; Y138-Y154 AromaticContact CD2-CZ 3.5Å; Y138-Y154 VanDerWaalsContact CD2-CZ 3.5Å; Y138-Y154 WeakPolarHBondContact CD2-OH 3.42Å; Y138-Y154 HydrophobicContact CG-CE2 4.17Å; L141-Y154 HydrophobicContact CD2-CD1 3.53Å; L141-Y154 HydrophobicContact CD2-CE1 4.02Å; L141-Y154 HydrophobicContact CD2-CG 4.15Å; S150-Y154 WeakPolarHBondContact O-CB 3.33Å; S150-Y154 PolarHBondContact O-N 2.94Å; S150-Y154 VanDerWaalsContact O-N 3.13Å; W151-Y154 PolarHBondContact O-N 3.12Å; I152-Y154 VanDerWaalsContact C-N 3.27Å; I152-Y154 PolarHBondContact O-N 2.72Å; Y154-A157 WeakPolarHBondContact O-CB 3.42Å; Y154-A157 PolarHBondContact O-N 3.35Å; Y154-Y158 HydrophobicContact CD1-CE2 4.39Å; Y154-Y158 HydrophobicContact CD2-CD2 4.44Å; Y154-Y158 HydrophobicContact CD2-CE2 4.03Å; Y154-Y158 AromaticContact CE1-CE2 3.83Å; Y154-Y158 HydrophobicContact CE1-CE2 3.83Å; Y154-Y158 HydrophobicContact CE2-CD2 4.22Å; Y154-Y158 AromaticContact CE2-CE2 3.39Å; Y154-Y158 HydrophobicContact CE2-CE2 3.39Å; Y154-Y158 HydrophobicContact CG-CE2 4.48Å; Y154-Y158 AromaticContact CZ-CE2 3.31Å; Y154-Y158 AromaticContact CZ-CZ 3.98Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.47Å; Y154-Y158 PolarHBondContact O-N 3Å; Y154-Y158 WeakPolarHBondContact OH-CE2 3.49Å; Y154-Y158 PolarHBondContact OH-OH 3.11Å; Y154-I170 HydrophobicContact CD1-CD1 3.42Å; Y154-I170 VanDerWaalsContact CD1-CD1 3.42Å; Y154-I170 HydrophobicContact CD1-CG1 4.03Å; Y154-I170 HydrophobicContact CD1-CG2 4.21Å; Y154-I170 HydrophobicContact CE1-CD1 3.55Å; Y154-I170 HydrophobicContact CE1-CG1 4.15Å; Y154-I170 HydrophobicContact CG-CD1 4.17Å |
| 155 | A | 97.4 | Very high | 95 | Very high | 1 Ų | 1 | 45.6 Ų | 45.6 | 1% | 0.008 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61 | -45.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | W151 I152 A157 Y158 H159 I170 L171 | W151-A155 WeakPolarHBondContact O-CB 3.49Å; W151-A155 PolarHBondContact O-N 3.23Å; I152-A155 PolarHBondContact O-N 3.04Å; A155-A157 VanDerWaalsContact C-N 3.3Å; A155-A157 PolarHBondContact O-N 3.11Å; A155-Y158 PolarHBondContact O-N 3.37Å; A155-H159 WeakPolarHBondContact O-CB 3.32Å; A155-H159 PolarHBondContact O-N 3.15Å; A155-I170 HydrophobicContact CB-CB 4.41Å; A155-I170 HydrophobicContact CB-CG2 3.95Å; A155-L171 HydrophobicContact CB-CD2 3.68Å; A155-L171 HydrophobicContact CB-CG 3.83Å |
| 156 | I | 98 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 177.1 | -67.7 | 162.3 | 0 | 0 | 0 | 111.1 | I152 Y158 H159 L160 Y195 L535 Y538 V539 | I152-I156 HydrophobicContact CG2-CD1 3.55Å; I152-I156 HydrophobicContact CG2-CG1 4.41Å; I152-I156 WeakPolarHBondContact O-CB 3.42Å; I152-I156 WeakPolarHBondContact O-CD1 3.06Å; I152-I156 VanDerWaalsContact O-CG1 3.27Å; I152-I156 WeakPolarHBondContact O-CG1 3.45Å; I152-I156 PolarHBondContact O-N 3.46Å; I156-Y158 PolarHBondContact O-N 3.24Å; I156-H159 PolarHBondContact O-N 3.3Å; I156-L160 HydrophobicContact CG2-CD1 3.73Å; I156-L160 HydrophobicContact CG2-CG 4.04Å; I156-L160 WeakPolarHBondContact O-CG 3.46Å; I156-L160 PolarHBondContact O-N 3.1Å; I156-Y195 HydrophobicContact CG1-CE1 4.45Å; I156-Y195 VanDerWaalsContact CG1-OH 3.28Å; I156-Y195 WeakPolarHBondContact CG1-OH 3.28Å; I156-L535 HydrophobicContact CD1-CD2 4.32Å; I156-Y538 HydrophobicContact CD1-CD1 3.84Å; I156-Y538 HydrophobicContact CD1-CE1 3.9Å; I156-Y538 HydrophobicContact CG2-CE1 4.23Å; I156-V539 HydrophobicContact CG2-CG1 4.37Å |
| 157 | A | 97.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.7 | -47.1 | 179 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y133 R134 G153 Y154 A155 L161 | Y133-A157 HydrophobicContact CD1-CB 3.58Å; Y133-A157 HydrophobicContact CE1-CB 3.81Å; R134-A157 HydrophobicContact CB-CB 3.95Å; R134-A157 HydrophobicContact CG-CB 4.28Å; G153-A157 PolarHBondContact O-N 3.25Å; G153-A157 VanDerWaalsContact O-N 3.13Å; Y154-A157 WeakPolarHBondContact O-CB 3.42Å; Y154-A157 PolarHBondContact O-N 3.35Å; A155-A157 VanDerWaalsContact C-N 3.3Å; A155-A157 PolarHBondContact O-N 3.11Å; A157-L161 WeakPolarHBondContact O-CG 3.35Å; A157-L161 PolarHBondContact O-N 3Å |
| 158 | Y | 98.1 | Very high | 95.9 | Very high | 22 Ų | 22 | 37.1 Ų | 37.1 | 9% | 0.086 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.7 | -37.3 | 175.5 | -77.2 | -74.1 | 0 | 0 | 0 | 113.2 | R134 Y154 A155 I156 L160 L161 E162 D163 M166 I170 | R134-Y158 VanDerWaalsContact CD-CE1 3.49Å; R134-Y158 HydrophobicContact CG-CE1 4.39Å; R134-Y158 HydrophobicContact CG-CE2 4.31Å; Y154-Y158 HydrophobicContact CD1-CE2 4.39Å; Y154-Y158 HydrophobicContact CD2-CD2 4.44Å; Y154-Y158 HydrophobicContact CD2-CE2 4.03Å; Y154-Y158 AromaticContact CE1-CE2 3.83Å; Y154-Y158 HydrophobicContact CE1-CE2 3.83Å; Y154-Y158 HydrophobicContact CE2-CD2 4.22Å; Y154-Y158 AromaticContact CE2-CE2 3.39Å; Y154-Y158 HydrophobicContact CE2-CE2 3.39Å; Y154-Y158 HydrophobicContact CG-CE2 4.48Å; Y154-Y158 AromaticContact CZ-CE2 3.31Å; Y154-Y158 AromaticContact CZ-CZ 3.98Å; Y154-Y158 WeakPolarHBondContact O-CD2 3.47Å; Y154-Y158 PolarHBondContact O-N 3Å; Y154-Y158 WeakPolarHBondContact OH-CE2 3.49Å; Y154-Y158 PolarHBondContact OH-OH 3.11Å; A155-Y158 PolarHBondContact O-N 3.37Å; I156-Y158 PolarHBondContact O-N 3.24Å; Y158-L160 VanDerWaalsContact C-N 3.35Å; Y158-L160 PolarHBondContact O-N 3.03Å; Y158-L161 CarbonylContact O-C 3.18Å; Y158-L161 PolarHBondContact O-N 3.34Å; Y158-L161 VanDerWaalsContact O-N 3.15Å; Y158-E162 PolarHBondContact O-N 2.84Å; Y158-E162 VanDerWaalsContact O-N 3.16Å; Y158-D163 HydrophobicContact CD1-CB 3.82Å; Y158-D163 WeakPolarHBondContact CD1-OD2 3.28Å; Y158-D163 PolarHBondContact O-N 3.42Å; Y158-M166 HydrophobicContact CD1-CB 3.82Å; Y158-M166 HydrophobicContact CD1-CG 3.85Å; Y158-M166 HydrophobicContact CD2-CB 4.28Å; Y158-M166 HydrophobicContact CD2-CG 3.7Å; Y158-M166 HydrophobicContact CE1-CB 4.11Å; Y158-M166 HydrophobicContact CE1-CG 3.75Å; Y158-M166 HydrophobicContact CE2-CB 4.5Å; Y158-M166 HydrophobicContact CE2-CG 3.55Å; Y158-M166 HydrophobicContact CG-CB 3.92Å; Y158-M166 HydrophobicContact CG-CG 3.83Å; Y158-I170 HydrophobicContact CD2-CD1 3.38Å; Y158-I170 HydrophobicContact CE2-CD1 3.65Å; Y158-I170 HydrophobicContact CG-CD1 4.43Å |
| 159 | H | 98.3 | Very high | 96.2 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 176.3 | -178.4 | -177.2 | 0 | 0 | 0 | 111.1 | A155 I156 L161 E162 Y164 A167 Y195 V199 E202 | A155-H159 WeakPolarHBondContact O-CB 3.32Å; A155-H159 PolarHBondContact O-N 3.15Å; I156-H159 PolarHBondContact O-N 3.3Å; H159-L161 PolarHBondContact O-N 3.08Å; H159-E162 WeakPolarHBondContact O-CA 3.38Å; H159-E162 PolarHBondContact O-N 3.14Å; H159-Y164 AromaticContact CD2-CE1 3.7Å; H159-A167 HydrophobicContact CB-CB 4.16Å; H159-Y195 AromaticContact CE1-CE2 3.79Å; H159-Y195 AromaticContact ND1-CE2 3.45Å; H159-Y195 WeakPolarHBondContact ND1-CE2 3.32Å; H159-Y195 AromaticContact ND1-CZ 3.36Å; H159-Y195 PolarHBondContact ND1-OH 3.1Å; H159-V199 WeakPolarHBondContact ND1-CG2 3.33Å; H159-E202 IonicContact CD2-OE2 2.95Å; H159-E202 IonicContact CE1-OE1 2.68Å; H159-E202 IonicContact NE2-OE1 3.87Å; H159-E202 IonicContact NE2-OE2 3.21Å; H159-E202 PolarHBondContact NE2-OE2 3.09Å; H159-E202 VanDerWaalsContact NE2-OE2 3.15Å |
| 160 | L | 97.4 | Very high | 96.5 | Very high | 28 Ų | 28 | 36.9 Ų | 36.9 | 15% | 0.147 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.9 | -23.8 | 177.3 | -66.6 | 173.7 | 0 | 0 | 0 | 113.4 | I125 L130 I156 Y158 L542 | I125-L160 HydrophobicContact CD1-CD1 3.88Å; I125-L160 HydrophobicContact CG1-CD1 4.47Å; L130-L160 HydrophobicContact CD1-CB 4.1Å; L130-L160 WeakPolarHBondContact CD1-O 3.37Å; L130-L160 HydrophobicContact CD2-CB 4.03Å; L130-L160 HydrophobicContact CD2-CD1 4.06Å; I156-L160 HydrophobicContact CG2-CD1 3.73Å; I156-L160 HydrophobicContact CG2-CG 4.04Å; I156-L160 WeakPolarHBondContact O-CG 3.46Å; I156-L160 PolarHBondContact O-N 3.1Å; Y158-L160 VanDerWaalsContact C-N 3.35Å; Y158-L160 PolarHBondContact O-N 3.03Å; L160-L542 HydrophobicContact CD1-CD1 3.77Å; L160-L542 HydrophobicContact CD2-CD1 4.22Å |
| 161 | L | 97.7 | Very high | 96.7 | Very high | 52 Ų | 52 | 36.6 Ų | 36.6 | 27% | 0.272 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 2.3 | 171.3 | -72.9 | 166.5 | 0 | 0 | 0 | 112.9 | L130 E131 R134 A157 Y158 H159 D163 | L130-L161 HydrophobicContact CB-CD2 3.58Å; L130-L161 HydrophobicContact CB-CG 3.96Å; L130-L161 HydrophobicContact CD1-CD2 4.13Å; L130-L161 HydrophobicContact CD1-CG 4.48Å; E131-L161 HydrophobicContact CG-CD2 4.49Å; R134-L161 HydrophobicContact CB-CD1 4.14Å; R134-L161 HydrophobicContact CG-CD1 4.36Å; A157-L161 WeakPolarHBondContact O-CG 3.35Å; A157-L161 PolarHBondContact O-N 3Å; Y158-L161 CarbonylContact O-C 3.18Å; Y158-L161 PolarHBondContact O-N 3.34Å; Y158-L161 VanDerWaalsContact O-N 3.15Å; H159-L161 PolarHBondContact O-N 3.08Å; L161-D163 PolarHBondContact O-N 3.49Å; L161-D163 VanDerWaalsContact O-N 3.16Å |
| 162 | E | 97.6 | Very high | 96.6 | Very high | 138 Ų | 138 | 37.4 Ų | 37.4 | 65% | 0.645 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 18.9 | -176.8 | -54.4 | -179.9 | -179.8 | 0 | 0 | 113.8 | Y158 H159 Y164 | Y158-E162 PolarHBondContact O-N 2.84Å; Y158-E162 VanDerWaalsContact O-N 3.16Å; H159-E162 WeakPolarHBondContact O-CA 3.38Å; H159-E162 PolarHBondContact O-N 3.14Å; E162-Y164 HydrophobicContact CB-CE2 3.82Å; E162-Y164 HydrophobicContact CG-CE2 4.44Å; E162-Y164 WeakPolarHBondContact O-CD2 3.14Å; E162-Y164 WeakPolarHBondContact O-CE2 3.2Å; E162-Y164 PolarHBondContact O-N 3.43Å |
| 163 | D | 97.5 | Very high | 96.6 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 35% | 0.348 | 20% | 0.202 | S | C | . | . | trans | -84.8 | 74.1 | 167.9 | -175.1 | -12.8 | 0 | 0 | 0 | 109 | Y158 L161 E165 M166 A167 | Y158-D163 HydrophobicContact CD1-CB 3.82Å; Y158-D163 WeakPolarHBondContact CD1-OD2 3.28Å; Y158-D163 PolarHBondContact O-N 3.42Å; L161-D163 PolarHBondContact O-N 3.49Å; L161-D163 VanDerWaalsContact O-N 3.16Å; D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.45Å; D163-M166 PolarHBondContact O-N 2.84Å; D163-M166 WeakPolarHBondContact OD1-CB 3.48Å; D163-M166 PolarHBondContact OD1-N 3.12Å; D163-M166 VanDerWaalsContact OD1-N 3.07Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 3.04Å; D163-A167 VanDerWaalsContact O-N 3.09Å | ||
| 164 | Y | 96.9 | Very high | 96.4 | Very high | 50 Ų | 50 | 42.9 Ų | 42.9 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66 | -30.5 | -174.9 | -58.2 | -73.8 | 0 | 0 | 0 | 112.9 | H159 E162 A168 V199 E202 A203 | H159-Y164 AromaticContact CD2-CE1 3.7Å; E162-Y164 HydrophobicContact CB-CE2 3.82Å; E162-Y164 HydrophobicContact CG-CE2 4.44Å; E162-Y164 WeakPolarHBondContact O-CD2 3.14Å; E162-Y164 WeakPolarHBondContact O-CE2 3.2Å; E162-Y164 PolarHBondContact O-N 3.43Å; Y164-A168 VanDerWaalsContact O-CB 3.25Å; Y164-A168 WeakPolarHBondContact O-CB 3.23Å; Y164-A168 PolarHBondContact O-N 2.85Å; Y164-V199 HydrophobicContact CD1-CG1 4.24Å; Y164-E202 HydrophobicContact CD1-CB 4.04Å; Y164-E202 HydrophobicContact CE1-CB 3.46Å; Y164-E202 VanDerWaalsContact CE1-CB 3.46Å; Y164-E202 HydrophobicContact CE1-CG 4.5Å; Y164-A203 HydrophobicContact CD2-CB 4.47Å; Y164-A203 HydrophobicContact CG-CB 4.05Å |
| 165 | E | 94.1 | Very high | 96.1 | Very high | 135 Ų | 135 | 43.1 Ų | 43.1 | 63% | 0.631 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -63.8 | -48.1 | 178 | -71.2 | -168.6 | -166 | 0 | 0 | 111.4 | D163 A168 K169 | D163-E165 VanDerWaalsContact C-N 3.28Å; D163-E165 PolarHBondContact O-N 3.45Å; E165-A168 PolarHBondContact O-N 3.24Å; E165-K169 VanDerWaalsContact O-CG 3.3Å; E165-K169 WeakPolarHBondContact O-CG 3.49Å; E165-K169 PolarHBondContact O-N 3Å; E165-K169 IonicContact OE2-NZ 2.92Å |
| 166 | M | 96.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 50 Ų | 50 | 34% | 0.335 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69 | -41.6 | 179.4 | -167.9 | 61.7 | 75 | 0 | 0 | 110.9 | Y158 D163 A168 K169 I170 | Y158-M166 HydrophobicContact CD1-CB 3.82Å; Y158-M166 HydrophobicContact CD1-CG 3.85Å; Y158-M166 HydrophobicContact CD2-CB 4.28Å; Y158-M166 HydrophobicContact CD2-CG 3.7Å; Y158-M166 HydrophobicContact CE1-CB 4.11Å; Y158-M166 HydrophobicContact CE1-CG 3.75Å; Y158-M166 HydrophobicContact CE2-CB 4.5Å; Y158-M166 HydrophobicContact CE2-CG 3.55Å; Y158-M166 HydrophobicContact CG-CB 3.92Å; Y158-M166 HydrophobicContact CG-CG 3.83Å; D163-M166 PolarHBondContact O-N 2.84Å; D163-M166 WeakPolarHBondContact OD1-CB 3.48Å; D163-M166 PolarHBondContact OD1-N 3.12Å; D163-M166 VanDerWaalsContact OD1-N 3.07Å; M166-A168 VanDerWaalsContact C-N 3.33Å; M166-A168 PolarHBondContact O-N 3.44Å; M166-K169 PolarHBondContact O-N 3.27Å; M166-I170 HydrophobicContact CG-CD1 3.9Å; M166-I170 HydrophobicContact CG-CG1 4.49Å; M166-I170 WeakPolarHBondContact O-CD1 3.42Å; M166-I170 VanDerWaalsContact O-CG1 3.27Å; M166-I170 WeakPolarHBondContact O-CG1 3.46Å; M166-I170 PolarHBondContact O-N 3.17Å |
| 167 | A | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.1 | -45.6 | 175 | 0 | 0 | 0 | 0 | 0 | 111.8 | H159 D163 I170 L171 V199 | H159-A167 HydrophobicContact CB-CB 4.16Å; D163-A167 WeakPolarHBondContact O-CB 3.45Å; D163-A167 PolarHBondContact O-N 3.04Å; D163-A167 VanDerWaalsContact O-N 3.09Å; A167-I170 PolarHBondContact O-N 3.31Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.27Å; A167-L171 WeakPolarHBondContact O-CG 3.5Å; A167-L171 PolarHBondContact O-N 3.22Å; A167-V199 HydrophobicContact CB-CG1 3.94Å |
| 168 | A | 94.9 | Very high | 94.3 | Very high | 16 Ų | 16 | 56.1 Ų | 56.1 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y164 E165 M166 L171 E172 V199 L200 | Y164-A168 VanDerWaalsContact O-CB 3.25Å; Y164-A168 WeakPolarHBondContact O-CB 3.23Å; Y164-A168 PolarHBondContact O-N 2.85Å; E165-A168 PolarHBondContact O-N 3.24Å; M166-A168 VanDerWaalsContact C-N 3.33Å; M166-A168 PolarHBondContact O-N 3.44Å; A168-L171 PolarHBondContact O-N 3.49Å; A168-E172 WeakPolarHBondContact O-CB 3.38Å; A168-E172 PolarHBondContact O-N 3.38Å; A168-V199 HydrophobicContact CB-CG1 4.34Å; A168-L200 HydrophobicContact CB-CD2 4.17Å |
| 169 | K | 95.3 | Very high | 92.6 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 53% | 0.53 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -60 | -47.5 | 175.9 | -74.3 | 166 | -173.9 | 157.9 | 0 | 111.6 | E165 M166 E172 E173 | E165-K169 VanDerWaalsContact O-CG 3.3Å; E165-K169 WeakPolarHBondContact O-CG 3.49Å; E165-K169 PolarHBondContact O-N 3Å; E165-K169 IonicContact OE2-NZ 2.92Å; M166-K169 PolarHBondContact O-N 3.27Å; K169-E172 PolarHBondContact O-N 3.25Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 2.75Å |
| 170 | I | 96.5 | Very high | 91 | Very high | 10 Ų | 10 | 66 Ų | 66 | 5% | 0.051 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.7 | -43.2 | 179.1 | -63.9 | 160.1 | 0 | 0 | 0 | 110.6 | W151 Y154 A155 Y158 M166 A167 E173 F174 | W151-I170 HydrophobicContact CE3-CG2 3.97Å; Y154-I170 HydrophobicContact CD1-CD1 3.42Å; Y154-I170 VanDerWaalsContact CD1-CD1 3.42Å; Y154-I170 HydrophobicContact CD1-CG1 4.03Å; Y154-I170 HydrophobicContact CD1-CG2 4.21Å; Y154-I170 HydrophobicContact CE1-CD1 3.55Å; Y154-I170 HydrophobicContact CE1-CG1 4.15Å; Y154-I170 HydrophobicContact CG-CD1 4.17Å; A155-I170 HydrophobicContact CB-CB 4.41Å; A155-I170 HydrophobicContact CB-CG2 3.95Å; Y158-I170 HydrophobicContact CD2-CD1 3.38Å; Y158-I170 HydrophobicContact CE2-CD1 3.65Å; Y158-I170 HydrophobicContact CG-CD1 4.43Å; M166-I170 HydrophobicContact CG-CD1 3.9Å; M166-I170 HydrophobicContact CG-CG1 4.49Å; M166-I170 WeakPolarHBondContact O-CD1 3.42Å; M166-I170 VanDerWaalsContact O-CG1 3.27Å; M166-I170 WeakPolarHBondContact O-CG1 3.46Å; M166-I170 PolarHBondContact O-N 3.17Å; A167-I170 PolarHBondContact O-N 3.31Å; I170-E173 PolarHBondContact O-N 3.04Å; I170-F174 VanDerWaalsContact O-CB 3.25Å; I170-F174 WeakPolarHBondContact O-CB 3.42Å; I170-F174 PolarHBondContact O-N 3.32Å |
| 171 | L | 95.9 | Very high | 89 | Confident | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -40.5 | 179 | -73 | 171.6 | 0 | 0 | 0 | 112.1 | A155 A167 A168 F174 R175 L192 Y195 Q196 V199 | A155-L171 HydrophobicContact CB-CD2 3.68Å; A155-L171 HydrophobicContact CB-CG 3.83Å; A167-L171 WeakPolarHBondContact O-CB 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.27Å; A167-L171 WeakPolarHBondContact O-CG 3.5Å; A167-L171 PolarHBondContact O-N 3.22Å; A168-L171 PolarHBondContact O-N 3.49Å; L171-F174 PolarHBondContact O-N 3.46Å; L171-R175 VanDerWaalsContact O-CB 3.22Å; L171-R175 WeakPolarHBondContact O-CB 3.24Å; L171-R175 PolarHBondContact O-N 2.99Å; L171-L192 HydrophobicContact CD2-CD1 3.93Å; L171-Y195 HydrophobicContact CD1-CD1 3.78Å; L171-Y195 HydrophobicContact CD1-CE1 3.73Å; L171-Y195 HydrophobicContact CD2-CD1 3.91Å; L171-Y195 HydrophobicContact CD2-CE1 3.96Å; L171-Y195 HydrophobicContact CG-CE1 4.45Å; L171-Q196 HydrophobicContact CB-CB 4.29Å; L171-Q196 HydrophobicContact CB-CG 4.03Å; L171-Q196 HydrophobicContact CD1-CB 4.23Å; L171-Q196 HydrophobicContact CD1-CG 4.5Å; L171-V199 HydrophobicContact CD1-CB 4.36Å; L171-V199 HydrophobicContact CD1-CG2 3.91Å |
| 172 | E | 94 | Very high | 87.3 | Confident | 49 Ų | 49 | 69.3 Ų | 69.3 | 23% | 0.229 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.8 | -41.8 | 177.1 | 178.6 | 53.8 | -157.6 | 0 | 0 | 111.9 | A168 K169 R175 K176 Q196 | A168-E172 WeakPolarHBondContact O-CB 3.38Å; A168-E172 PolarHBondContact O-N 3.38Å; K169-E172 PolarHBondContact O-N 3.25Å; E172-R175 PolarHBondContact O-N 2.98Å; E172-R175 IonicContact OE1-CZ 3.63Å; E172-R175 IonicContact OE1-NE 3.36Å; E172-R175 IonicContact OE1-NH2 3.78Å; E172-R175 PolarHBondContact OE1-NH2 3.24Å; E172-R175 IonicContact OE2-CZ 3.59Å; E172-R175 IonicContact OE2-NE 2.72Å; E172-R175 PolarHBondContact OE2-NE 3Å; E172-R175 IonicContact OE2-NH2 3.5Å; E172-K176 WeakPolarHBondContact O-CG 3.24Å; E172-K176 PolarHBondContact O-N 3.17Å; E172-K176 WeakPolarHBondContact OE1-CE 3.15Å; E172-Q196 PolarHBondContact OE2-NE2 3.3Å |
| 173 | E | 93.6 | Very high | 85.3 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 52% | 0.523 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 174.8 | -168.1 | 173 | -159.3 | 0 | 0 | 111.2 | W151 K169 I170 R175 K176 T177 | W151-E173 HydrophobicContact CH2-CG 3.9Å; W151-E173 HydrophobicContact CZ3-CB 4.05Å; W151-E173 HydrophobicContact CZ3-CG 3.93Å; K169-E173 WeakPolarHBondContact O-CB 3.47Å; K169-E173 PolarHBondContact O-N 2.75Å; I170-E173 PolarHBondContact O-N 3.04Å; E173-R175 PolarHBondContact O-N 3.39Å; E173-K176 WeakPolarHBondContact O-CB 3.24Å; E173-K176 PolarHBondContact O-N 3.41Å; E173-T177 WeakPolarHBondContact O-CG2 3.39Å; E173-T177 PolarHBondContact O-N 3.5Å |
| 174 | F | 92.5 | Very high | 84 | Confident | 3 Ų | 3 | 73.3 Ų | 73.3 | 1% | 0.013 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -45.2 | 175.4 | 179.6 | -128.6 | 0 | 0 | 0 | 111.9 | R148 W151 I152 I170 L171 K176 T177 Q178 L192 | R148-F174 HydrophobicContact CB-CE2 4.15Å; R148-F174 HydrophobicContact CB-CZ 3.8Å; R148-F174 HydrophobicContact CG-CE2 4.08Å; R148-F174 HydrophobicContact CG-CZ 3.93Å; W151-F174 HydrophobicContact CB-CB 4.02Å; W151-F174 HydrophobicContact CB-CD1 4.14Å; W151-F174 HydrophobicContact CB-CD2 3.4Å; W151-F174 VanDerWaalsContact CB-CD2 3.4Å; W151-F174 HydrophobicContact CB-CE1 4.5Å; W151-F174 HydrophobicContact CB-CE2 3.83Å; W151-F174 HydrophobicContact CB-CG 3.58Å; W151-F174 HydrophobicContact CB-CZ 4.35Å; W151-F174 AromaticContact CD1-CD2 3.68Å; W151-F174 AromaticContact CD1-CE2 3.95Å; W151-F174 HydrophobicContact CD2-CB 4.01Å; W151-F174 AromaticContact CD2-CD2 3.85Å; W151-F174 HydrophobicContact CD2-CD2 3.85Å; W151-F174 HydrophobicContact CD2-CG 4.25Å; W151-F174 HydrophobicContact CE3-CB 3.76Å; W151-F174 HydrophobicContact CE3-CD2 4.47Å; W151-F174 HydrophobicContact CE3-CG 4.47Å; W151-F174 HydrophobicContact CG-CB 4.16Å; W151-F174 AromaticContact CG-CD2 3.34Å; W151-F174 HydrophobicContact CG-CD2 3.34Å; W151-F174 AromaticContact CG-CE2 3.93Å; W151-F174 HydrophobicContact CG-CE2 3.93Å; W151-F174 AromaticContact CG-CG 3.89Å; W151-F174 HydrophobicContact CG-CG 3.89Å; I152-F174 HydrophobicContact CD1-CE1 4.21Å; I152-F174 HydrophobicContact CD1-CZ 4.39Å; I152-F174 HydrophobicContact CG1-CE1 3.79Å; I152-F174 HydrophobicContact CG1-CZ 4.24Å; I170-F174 VanDerWaalsContact O-CB 3.25Å; I170-F174 WeakPolarHBondContact O-CB 3.42Å; I170-F174 PolarHBondContact O-N 3.32Å; L171-F174 PolarHBondContact O-N 3.46Å; F174-K176 VanDerWaalsContact C-N 3.29Å; F174-K176 PolarHBondContact O-N 3.41Å; F174-T177 WeakPolarHBondContact O-CB 3.35Å; F174-T177 PolarHBondContact O-N 2.96Å; F174-T177 PolarHBondContact O-OG1 3.39Å; F174-Q178 HydrophobicContact CD2-CG 4.46Å; F174-Q178 HydrophobicContact CE1-CG 4.43Å; F174-Q178 HydrophobicContact CE2-CG 4.13Å; F174-Q178 HydrophobicContact CZ-CG 4.13Å; F174-Q178 WeakPolarHBondContact O-CG 3.39Å; F174-Q178 PolarHBondContact O-N 3.3Å; F174-L192 HydrophobicContact CD1-CD1 3.96Å; F174-L192 HydrophobicContact CD1-CD2 3.85Å; F174-L192 HydrophobicContact CE1-CD1 4.02Å; F174-L192 HydrophobicContact CE1-CD2 3.73Å |
| 175 | R | 91.3 | Very high | 82.8 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 12% | 0.121 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -40.5 | 177.1 | -171.7 | -157.3 | 63.6 | 75.3 | -0.5 | 111.5 | L171 E172 E173 T177 Q178 Y189 L193 Y216 | L171-R175 VanDerWaalsContact O-CB 3.22Å; L171-R175 WeakPolarHBondContact O-CB 3.24Å; L171-R175 PolarHBondContact O-N 2.99Å; E172-R175 PolarHBondContact O-N 2.98Å; E172-R175 IonicContact OE1-CZ 3.63Å; E172-R175 IonicContact OE1-NE 3.36Å; E172-R175 IonicContact OE1-NH2 3.78Å; E172-R175 PolarHBondContact OE1-NH2 3.24Å; E172-R175 IonicContact OE2-CZ 3.59Å; E172-R175 IonicContact OE2-NE 2.72Å; E172-R175 PolarHBondContact OE2-NE 3Å; E172-R175 IonicContact OE2-NH2 3.5Å; E173-R175 PolarHBondContact O-N 3.39Å; R175-T177 PolarHBondContact O-N 3.38Å; R175-Q178 WeakPolarHBondContact O-CB 3.38Å; R175-Q178 PolarHBondContact O-N 3.43Å; R175-Y189 HydrophobicContact CG-CE2 3.97Å; R175-Y189 PolarHBondContact NH1-OH 3.08Å; R175-L193 HydrophobicContact CG-CD2 4.25Å; R175-Y216 PolarHBondContact NE-OH 3.33Å; R175-Y216 PolarHBondContact NH1-OH 3.45Å; R175-Y216 PolarHBondContact NH2-OH 2.87Å; R175-Y216 VanDerWaalsContact NH2-OH 3.08Å |
| 176 | K | 90.1 | Very high | 82.5 | Confident | 146 Ų | 146 | 70.7 Ų | 70.7 | 64% | 0.635 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.9 | -29.9 | 174.7 | -72.4 | 170.9 | -176.2 | 172.9 | 0 | 113.2 | E172 E173 F174 Q178 | E172-K176 WeakPolarHBondContact O-CG 3.24Å; E172-K176 PolarHBondContact O-N 3.17Å; E172-K176 WeakPolarHBondContact OE1-CE 3.15Å; E173-K176 WeakPolarHBondContact O-CB 3.24Å; E173-K176 PolarHBondContact O-N 3.41Å; F174-K176 VanDerWaalsContact C-N 3.29Å; F174-K176 PolarHBondContact O-N 3.41Å; K176-Q178 VanDerWaalsContact C-N 3.3Å |
| 177 | T | 85.8 | Confident | 82.3 | Confident | 79 Ų | 79 | 73.3 Ų | 73.3 | 49% | 0.485 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -75.9 | -19.5 | 174.9 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | E173 F174 R175 Q179 | E173-T177 WeakPolarHBondContact O-CG2 3.39Å; E173-T177 PolarHBondContact O-N 3.5Å; F174-T177 WeakPolarHBondContact O-CB 3.35Å; F174-T177 PolarHBondContact O-N 2.96Å; F174-T177 PolarHBondContact O-OG1 3.39Å; R175-T177 PolarHBondContact O-N 3.38Å; T177-Q179 PolarHBondContact O-N 2.97Å |
| 178 | Q | 78.7 | Confident | 82 | Confident | 48 Ų | 48 | 75.7 Ų | 75.7 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | trans | -88 | 92.4 | -178.2 | -60.8 | -76.4 | 52.6 | 0 | 0 | 109.1 | R148 F174 R175 K176 T180 Y189 L192 | R148-Q178 VanDerWaalsContact CD-NE2 3.32Å; F174-Q178 HydrophobicContact CD2-CG 4.46Å; F174-Q178 HydrophobicContact CE1-CG 4.43Å; F174-Q178 HydrophobicContact CE2-CG 4.13Å; F174-Q178 HydrophobicContact CZ-CG 4.13Å; F174-Q178 WeakPolarHBondContact O-CG 3.39Å; F174-Q178 PolarHBondContact O-N 3.3Å; R175-Q178 WeakPolarHBondContact O-CB 3.38Å; R175-Q178 PolarHBondContact O-N 3.43Å; K176-Q178 VanDerWaalsContact C-N 3.3Å; Q178-T180 PolarHBondContact O-N 2.93Å; Q178-Y189 HydrophobicContact CB-CD2 4.05Å; Q178-Y189 HydrophobicContact CB-CE2 3.85Å; Q178-L192 HydrophobicContact CG-CD2 4.3Å | ||
| 179 | Q | 63.6 | Low | 81.9 | Confident | 193 Ų | 193 | 75.6 Ų | 75.6 | 90% | 0.902 | 38% | 0.375 | S | S | * | . | trans | -83.3 | 103.3 | 179.4 | -165.3 | 176.8 | 15.9 | 0 | 0 | 110.4 | T177 | T177-Q179 PolarHBondContact O-N 2.97Š| ||
| 180 | T | 63.1 | Low | 81.9 | Confident | 40 Ų | 40 | 69.8 Ų | 69.8 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | trans | -118 | 142.3 | 174.1 | -54.9 | 0 | 0 | 0 | 0 | 109.6 | Q178 D186 | Q178-T180 PolarHBondContact O-N 2.93Å; T180-D186 HydrophobicContact CG2-CB 4.38Å | ||
| 181 | S | 55.9 | Low | 81.9 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 46% | 0.462 | 35% | 0.349 | S | S | . | . | trans | -59 | 132.6 | 172.7 | 178.2 | 0 | 0 | 0 | 0 | 109.6 | D183 K184 | S181-D183 PolarHBondContact O-N 3.21Å; S181-K184 PolarHBondContact O-N 3.47Å; S181-K184 VanDerWaalsContact O-N 3.09Å | ||
| 182 | P | 62.7 | Low | 81.8 | Confident | 83 Ų | 83 | 69.7 Ų | 69.7 | 54% | 0.539 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -18.8 | -178.1 | 26.5 | -34.5 | 0 | 0 | 0 | 113.1 | ||
| 183 | D | 56 | Low | 81.9 | Confident | 150 Ų | 150 | 67.3 Ų | 67.3 | 80% | 0.802 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.4 | -5.2 | -177.4 | -58 | -38.3 | 0 | 0 | 0 | 113.6 | S181 | S181-D183 PolarHBondContact O-N 3.21Š|
| 184 | K | 68.6 | Low | 82.1 | Confident | 137 Ų | 137 | 62.2 Ų | 62.2 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | trans | -105.6 | 118.4 | 177.3 | -173.1 | -176 | 176.9 | -169.6 | 0 | 110 | S181 D186 | S181-K184 PolarHBondContact O-N 3.47Å; S181-K184 VanDerWaalsContact O-N 3.09Å; K184-D186 PolarHBondContact O-N 2.95Å | ||
| 185 | V | 72.2 | Confident | 82.4 | Confident | 74 Ų | 74 | 62 Ų | 62 | 45% | 0.448 | 31% | 0.314 | S | S | . | . | trans | -79.9 | 110 | 171.5 | -171 | 0 | 0 | 0 | 0 | 108.7 | C221 | V185-C221 HydrophobicContact CG1-CB 3.55Š| ||
| 186 | D | 88.1 | Confident | 82.7 | Confident | 57 Ų | 57 | 60.9 Ų | 60.9 | 31% | 0.305 | 31% | 0.31 | S | S | . | . | trans | -102.9 | 128.2 | 171 | -175.2 | 0 | 0 | 0 | 0 | 109.2 | T180 K184 E188 Y189 S190 | T180-D186 HydrophobicContact CG2-CB 4.38Å; K184-D186 PolarHBondContact O-N 2.95Å; D186-E188 PolarHBondContact O-N 2.8Å; D186-E188 PolarHBondContact OD1-N 3.31Å; D186-Y189 PolarHBondContact O-N 3.44Å; D186-S190 VanDerWaalsContact O-CB 3.32Å; D186-S190 WeakPolarHBondContact O-CB 3.32Å; D186-S190 PolarHBondContact O-N 2.98Å | ||
| 187 | Y | 92.6 | Very high | 83.1 | Confident | 122 Ų | 122 | 54 Ų | 54 | 48% | 0.478 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | -177.1 | 178.1 | -95.9 | 0 | 0 | 0 | 112 | Y189 S190 E191 T534 | Y187-Y189 VanDerWaalsContact C-N 3.29Å; Y187-Y189 PolarHBondContact O-N 3.32Å; Y187-S190 WeakPolarHBondContact O-CB 3.32Å; Y187-S190 PolarHBondContact O-N 3.46Å; Y187-E191 HydrophobicContact CE1-CG 3.97Å; Y187-E191 HydrophobicContact CE2-CG 4.34Å; Y187-E191 PolarHBondContact O-N 2.89Å; Y187-T534 HydrophobicContact CE1-CG2 4.08Å |
| 188 | E | 91.3 | Very high | 83.7 | Confident | 51 Ų | 51 | 51 Ų | 51 | 24% | 0.238 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | -178.9 | -68.6 | -176.3 | 172.6 | 0 | 0 | 111.2 | R148 D186 L192 I533 | R148-E188 IonicContact CZ-OE2 3.16Å; R148-E188 IonicContact NH1-OE2 2.66Å; R148-E188 PolarHBondContact NH1-OE2 3.33Å; R148-E188 IonicContact NH2-OE2 2.72Å; R148-E188 PolarHBondContact NH2-OE2 2.75Å; D186-E188 PolarHBondContact O-N 2.8Å; D186-E188 PolarHBondContact OD1-N 3.31Å; E188-L192 PolarHBondContact O-N 3.25Å; E188-L192 VanDerWaalsContact O-N 3.17Å; E188-I533 HydrophobicContact CB-CB 4.17Å; E188-I533 HydrophobicContact CB-CD1 3.9Å; E188-I533 HydrophobicContact CB-CG1 4.49Å; E188-I533 HydrophobicContact CG-CB 4.43Å; E188-I533 HydrophobicContact CG-CD1 3.73Å; E188-I533 VanDerWaalsContact O-CG2 3.29Å; E188-I533 WeakPolarHBondContact O-CG2 3.49Å; E188-I533 VanDerWaalsContact OE2-CD1 3.24Å; E188-I533 WeakPolarHBondContact OE2-CD1 3.21Å |
| 189 | Y | 92.3 | Very high | 84.6 | Confident | 14 Ų | 14 | 48.7 Ų | 48.7 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -73.2 | -39.1 | 176.6 | -170.9 | -109.8 | 0 | 0 | 0 | 112 | R175 Q178 D186 Y187 E191 L192 L193 Q219 | R175-Y189 HydrophobicContact CG-CE2 3.97Å; R175-Y189 PolarHBondContact NH1-OH 3.08Å; Q178-Y189 HydrophobicContact CB-CD2 4.05Å; Q178-Y189 HydrophobicContact CB-CE2 3.85Å; D186-Y189 PolarHBondContact O-N 3.44Å; Y187-Y189 VanDerWaalsContact C-N 3.29Å; Y187-Y189 PolarHBondContact O-N 3.32Å; Y189-E191 PolarHBondContact O-N 3.36Å; Y189-L192 HydrophobicContact CD2-CD2 4.37Å; Y189-L192 WeakPolarHBondContact O-CB 3.43Å; Y189-L192 PolarHBondContact O-N 3.02Å; Y189-L193 HydrophobicContact CD1-CD1 3.75Å; Y189-L193 HydrophobicContact CD1-CG 4.29Å; Y189-L193 HydrophobicContact CE1-CD1 3.55Å; Y189-L193 HydrophobicContact CE1-CD2 4.25Å; Y189-L193 HydrophobicContact CE1-CG 4.02Å; Y189-L193 VanDerWaalsContact O-CG 3.32Å; Y189-L193 WeakPolarHBondContact O-CG 3.37Å; Y189-L193 PolarHBondContact O-N 3.06Å; Y189-Q219 VanDerWaalsContact CE1-OE1 3.24Å |
| 190 | S | 95 | Very high | 86.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.2 | -46.2 | 172.7 | 173.1 | 0 | 0 | 0 | 0 | 112 | D186 Y187 L193 L194 I220 C221 | D186-S190 VanDerWaalsContact O-CB 3.32Å; D186-S190 WeakPolarHBondContact O-CB 3.32Å; D186-S190 PolarHBondContact O-N 2.98Å; Y187-S190 WeakPolarHBondContact O-CB 3.32Å; Y187-S190 PolarHBondContact O-N 3.46Å; S190-L193 PolarHBondContact O-N 3.28Å; S190-L194 PolarHBondContact O-N 3.43Å; S190-L194 VanDerWaalsContact O-N 3.13Å; S190-I220 WeakPolarHBondContact OG-CA 3.37Å; S190-C221 PolarHBondContact OG-N 2.96Å; S190-C221 PolarHBondContact OG-SG 3.09Å; S190-C221 VanDerWaalsContact OG-SG 3.35Å |
| 191 | E | 95.9 | Very high | 87.9 | Confident | 5 Ų | 5 | 40.6 Ų | 40.6 | 2% | 0.023 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.4 | -79.9 | -56.8 | 124 | 0 | 0 | 112.5 | Y187 Y189 L193 L194 Y195 I533 R536 | Y187-E191 HydrophobicContact CE1-CG 3.97Å; Y187-E191 HydrophobicContact CE2-CG 4.34Å; Y187-E191 PolarHBondContact O-N 2.89Å; Y189-E191 PolarHBondContact O-N 3.36Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 2.93Å; E191-L194 PolarHBondContact O-N 3.11Å; E191-Y195 WeakPolarHBondContact O-CB 3.21Å; E191-Y195 PolarHBondContact O-N 3.19Å; E191-I533 WeakPolarHBondContact CB-O 3.28Å; E191-R536 VanDerWaalsContact CD-NH2 3.33Å; E191-R536 IonicContact OE1-CZ 2.76Å; E191-R536 IonicContact OE1-NE 2.65Å; E191-R536 IonicContact OE1-NH2 2.7Å; E191-R536 PolarHBondContact OE1-NH2 2.89Å; E191-R536 IonicContact OE2-CZ 3.75Å; E191-R536 IonicContact OE2-NE 2.94Å; E191-R536 PolarHBondContact OE2-NE 3.37Å; E191-R536 IonicContact OE2-NH2 2.79Å; E191-R536 PolarHBondContact OE2-NH2 3.04Å |
| 192 | L | 95.1 | Very high | 89.8 | Confident | 2 Ų | 2 | 40.4 Ų | 40.4 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -59.2 | -44.8 | 175.7 | 176.8 | 63.7 | 0 | 0 | 0 | 111.6 | L171 F174 Q178 E188 Y189 Y195 Q196 I533 L535 | L171-L192 HydrophobicContact CD2-CD1 3.93Å; F174-L192 HydrophobicContact CD1-CD1 3.96Å; F174-L192 HydrophobicContact CD1-CD2 3.85Å; F174-L192 HydrophobicContact CE1-CD1 4.02Å; F174-L192 HydrophobicContact CE1-CD2 3.73Å; Q178-L192 HydrophobicContact CG-CD2 4.3Å; E188-L192 PolarHBondContact O-N 3.25Å; E188-L192 VanDerWaalsContact O-N 3.17Å; Y189-L192 HydrophobicContact CD2-CD2 4.37Å; Y189-L192 WeakPolarHBondContact O-CB 3.43Å; Y189-L192 PolarHBondContact O-N 3.02Å; L192-Y195 PolarHBondContact O-N 3.43Å; L192-Q196 PolarHBondContact O-N 3.4Å; L192-I533 HydrophobicContact CB-CG2 4.13Å; L192-L535 HydrophobicContact CD1-CD1 4.23Å |
| 193 | L | 95.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 178.3 | -71.3 | 168.5 | 0 | 0 | 0 | 111.9 | R175 Y189 S190 E191 Q196 N197 H212 Y216 Q219 I220 | R175-L193 HydrophobicContact CG-CD2 4.25Å; Y189-L193 HydrophobicContact CD1-CD1 3.75Å; Y189-L193 HydrophobicContact CD1-CG 4.29Å; Y189-L193 HydrophobicContact CE1-CD1 3.55Å; Y189-L193 HydrophobicContact CE1-CD2 4.25Å; Y189-L193 HydrophobicContact CE1-CG 4.02Å; Y189-L193 VanDerWaalsContact O-CG 3.32Å; Y189-L193 WeakPolarHBondContact O-CG 3.37Å; Y189-L193 PolarHBondContact O-N 3.06Å; S190-L193 PolarHBondContact O-N 3.28Å; E191-L193 VanDerWaalsContact C-N 3.33Å; E191-L193 PolarHBondContact O-N 2.93Å; L193-Q196 PolarHBondContact O-N 3.24Å; L193-N197 WeakPolarHBondContact O-CB 3.46Å; L193-N197 PolarHBondContact O-N 3.41Å; L193-H212 PolarHBondContact O-CE1 3.45Å; L193-Y216 HydrophobicContact CD1-CG 4.36Å; L193-Y216 HydrophobicContact CD2-CD1 4.05Å; L193-Y216 HydrophobicContact CD2-CD2 3.88Å; L193-Y216 HydrophobicContact CD2-CE2 4.43Å; L193-Y216 HydrophobicContact CD2-CG 3.68Å; L193-Q219 HydrophobicContact CD1-CB 4.12Å; L193-I220 HydrophobicContact CB-CD1 4.16Å; L193-I220 HydrophobicContact CB-CG1 4.05Å; L193-I220 HydrophobicContact CD1-CG1 3.87Å |
| 194 | L | 98 | Very high | 93.3 | Very high | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.7 | -34.1 | 177.6 | -72 | 172 | 0 | 0 | 0 | 112.1 | S190 E191 N197 Q198 L213 I220 D222 A225 V226 | S190-L194 PolarHBondContact O-N 3.43Å; S190-L194 VanDerWaalsContact O-N 3.13Å; E191-L194 PolarHBondContact O-N 3.11Å; L194-N197 PolarHBondContact O-N 3.34Å; L194-Q198 WeakPolarHBondContact O-CB 3.47Å; L194-Q198 PolarHBondContact O-N 3.39Å; L194-L213 HydrophobicContact CD2-CD1 4.3Å; L194-I220 HydrophobicContact CD1-CG2 3.58Å; L194-I220 HydrophobicContact CD2-CD1 4.07Å; L194-I220 HydrophobicContact CD2-CG2 3.97Å; L194-I220 HydrophobicContact CG-CD1 4.3Å; L194-I220 HydrophobicContact CG-CG2 3.76Å; L194-D222 HydrophobicContact CD1-CB 3.84Å; L194-A225 HydrophobicContact CD1-CB 4.04Å; L194-A225 HydrophobicContact CD2-CB 4.34Å; L194-V226 HydrophobicContact CD2-CG2 4.47Å |
| 195 | Y | 98.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -44.9 | 173.3 | 179.6 | -110.4 | 0 | 0 | 0 | 112 | I156 H159 L171 E191 L192 N197 Q198 V199 L535 R536 V539 | I156-Y195 HydrophobicContact CG1-CE1 4.45Å; I156-Y195 VanDerWaalsContact CG1-OH 3.28Å; I156-Y195 WeakPolarHBondContact CG1-OH 3.28Å; H159-Y195 AromaticContact CE1-CE2 3.79Å; H159-Y195 AromaticContact ND1-CE2 3.45Å; H159-Y195 WeakPolarHBondContact ND1-CE2 3.32Å; H159-Y195 AromaticContact ND1-CZ 3.36Å; H159-Y195 PolarHBondContact ND1-OH 3.1Å; L171-Y195 HydrophobicContact CD1-CD1 3.78Å; L171-Y195 HydrophobicContact CD1-CE1 3.73Å; L171-Y195 HydrophobicContact CD2-CD1 3.91Å; L171-Y195 HydrophobicContact CD2-CE1 3.96Å; L171-Y195 HydrophobicContact CG-CE1 4.45Å; E191-Y195 WeakPolarHBondContact O-CB 3.21Å; E191-Y195 PolarHBondContact O-N 3.19Å; L192-Y195 PolarHBondContact O-N 3.43Å; Y195-N197 VanDerWaalsContact C-N 3.29Å; Y195-N197 PolarHBondContact O-N 2.85Å; Y195-Q198 WeakPolarHBondContact O-CB 3.39Å; Y195-Q198 PolarHBondContact O-N 2.57Å; Y195-V199 HydrophobicContact CE1-CG2 4.42Å; Y195-V199 WeakPolarHBondContact O-CG2 3.46Å; Y195-V199 PolarHBondContact O-N 3Å; Y195-L535 HydrophobicContact CD1-CB 3.97Å; Y195-L535 HydrophobicContact CD1-CD1 3.59Å; Y195-L535 HydrophobicContact CD1-CG 4.44Å; Y195-L535 HydrophobicContact CD2-CB 3.65Å; Y195-L535 HydrophobicContact CE1-CB 4.35Å; Y195-L535 HydrophobicContact CE1-CD1 3.98Å; Y195-L535 HydrophobicContact CE2-CB 4.06Å; Y195-L535 HydrophobicContact CG-CB 3.59Å; Y195-L535 HydrophobicContact CG-CD1 4.03Å; Y195-L535 HydrophobicContact CG-CG 4.43Å; Y195-R536 HydrophobicContact CD2-CG 4.23Å; Y195-V539 HydrophobicContact CE2-CG1 3.87Å; Y195-V539 HydrophobicContact CE2-CG2 4.06Å |
| 196 | Q | 97.7 | Very high | 95.8 | Very high | 7 Ų | 7 | 29.9 Ų | 29.9 | 3% | 0.033 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -58.9 | -43.5 | 172.4 | -177.5 | 178.1 | 1.3 | 0 | 0 | 111.2 | L171 E172 L192 L193 Q198 V199 L200 H212 | L171-Q196 HydrophobicContact CB-CB 4.29Å; L171-Q196 HydrophobicContact CB-CG 4.03Å; L171-Q196 HydrophobicContact CD1-CB 4.23Å; L171-Q196 HydrophobicContact CD1-CG 4.5Å; E172-Q196 PolarHBondContact OE2-NE2 3.3Å; L192-Q196 PolarHBondContact O-N 3.4Å; L193-Q196 PolarHBondContact O-N 3.24Å; Q196-Q198 VanDerWaalsContact C-N 3.34Å; Q196-Q198 PolarHBondContact O-N 2.92Å; Q196-V199 PolarHBondContact O-N 3.26Å; Q196-L200 WeakPolarHBondContact O-CG 3.42Å; Q196-L200 PolarHBondContact O-N 3.07Å; Q196-L200 VanDerWaalsContact O-N 3.1Å; Q196-H212 PolarHBondContact OE1-NE2 2.96Å |
| 197 | N | 98.3 | Very high | 96.2 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 176 | -162.5 | -97.2 | 0 | 0 | 0 | 112.6 | L193 L194 Y195 L200 R201 A209 H212 T229 | L193-N197 WeakPolarHBondContact O-CB 3.46Å; L193-N197 PolarHBondContact O-N 3.41Å; L194-N197 PolarHBondContact O-N 3.34Å; Y195-N197 VanDerWaalsContact C-N 3.29Å; Y195-N197 PolarHBondContact O-N 2.85Å; N197-L200 PolarHBondContact O-N 3.25Å; N197-R201 WeakPolarHBondContact O-CG 3.4Å; N197-R201 PolarHBondContact O-N 3.43Å; N197-A209 PolarHBondContact ND2-O 3.11Å; N197-H212 PolarHBondContact ND2-ND1 2.9Å; N197-T229 WeakPolarHBondContact OD1-CG2 3.43Å |
| 198 | Q | 98.4 | Very high | 96.4 | Very high | 17 Ų | 17 | 33.5 Ų | 33.5 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -59.7 | -46.2 | 173.9 | 177.9 | 178.5 | -35.6 | 0 | 0 | 111.7 | L194 Y195 Q196 L200 R201 E202 | L194-Q198 WeakPolarHBondContact O-CB 3.47Å; L194-Q198 PolarHBondContact O-N 3.39Å; Y195-Q198 WeakPolarHBondContact O-CB 3.39Å; Y195-Q198 PolarHBondContact O-N 2.57Å; Q196-Q198 VanDerWaalsContact C-N 3.34Å; Q196-Q198 PolarHBondContact O-N 2.92Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 2.6Å; Q198-R201 WeakPolarHBondContact O-CB 2.93Å; Q198-R201 PolarHBondContact O-N 3.02Å; Q198-R201 VanDerWaalsContact O-N 3.08Å; Q198-E202 HydrophobicContact CG-CG 4.33Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.4Å; Q198-E202 PolarHBondContact NE2-OE1 3.36Å; Q198-E202 WeakPolarHBondContact O-CG 3.49Å; Q198-E202 PolarHBondContact O-N 3.38Å |
| 199 | V | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.8 | -42.7 | 176.8 | 173.1 | 0 | 0 | 0 | 0 | 111.3 | H159 Y164 A167 A168 L171 Y195 Q196 R201 E202 A203 | H159-V199 WeakPolarHBondContact ND1-CG2 3.33Å; Y164-V199 HydrophobicContact CD1-CG1 4.24Å; A167-V199 HydrophobicContact CB-CG1 3.94Å; A168-V199 HydrophobicContact CB-CG1 4.34Å; L171-V199 HydrophobicContact CD1-CB 4.36Å; L171-V199 HydrophobicContact CD1-CG2 3.91Å; Y195-V199 HydrophobicContact CE1-CG2 4.42Å; Y195-V199 WeakPolarHBondContact O-CG2 3.46Å; Y195-V199 PolarHBondContact O-N 3Å; Q196-V199 PolarHBondContact O-N 3.26Å; V199-R201 VanDerWaalsContact C-N 3.31Å; V199-R201 PolarHBondContact O-N 2.89Å; V199-E202 PolarHBondContact O-N 3.35Å; V199-A203 WeakPolarHBondContact O-CB 3.46Å; V199-A203 PolarHBondContact O-N 3.45Å |
| 200 | L | 97.6 | Very high | 97 | Very high | 13 Ų | 13 | 31 Ų | 31 | 7% | 0.068 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.2 | -37.2 | 175.5 | -66.7 | 170.6 | 0 | 0 | 0 | 112.5 | A168 Q196 N197 Q198 G204 L205 A209 H212 | A168-L200 HydrophobicContact CB-CD2 4.17Å; Q196-L200 WeakPolarHBondContact O-CG 3.42Å; Q196-L200 PolarHBondContact O-N 3.07Å; Q196-L200 VanDerWaalsContact O-N 3.1Å; N197-L200 PolarHBondContact O-N 3.25Å; Q198-L200 VanDerWaalsContact C-N 3.31Å; Q198-L200 PolarHBondContact O-N 2.6Å; L200-G204 PolarHBondContact O-N 3.1Å; L200-L205 HydrophobicContact CD2-CD1 4.08Å; L200-L205 PolarHBondContact O-N 3.3Å; L200-A209 HydrophobicContact CB-CB 3.99Å; L200-H212 HydrophobicContact CD1-CB 4.15Å |
| 201 | R | 97.5 | Very high | 97.1 | Very high | 50 Ų | 50 | 36.3 Ų | 36.3 | 19% | 0.189 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.9 | -43.9 | 176.8 | -70.2 | -169 | -61.6 | 166 | -5.7 | 112.8 | N197 Q198 V199 A203 G204 A209 T229 E232 L233 | N197-R201 WeakPolarHBondContact O-CG 3.4Å; N197-R201 PolarHBondContact O-N 3.43Å; Q198-R201 WeakPolarHBondContact O-CB 2.93Å; Q198-R201 PolarHBondContact O-N 3.02Å; Q198-R201 VanDerWaalsContact O-N 3.08Å; V199-R201 VanDerWaalsContact C-N 3.31Å; V199-R201 PolarHBondContact O-N 2.89Å; R201-A203 PolarHBondContact O-N 3.02Å; R201-G204 PolarHBondContact O-N 2.87Å; R201-A209 HydrophobicContact CG-CB 3.84Å; R201-T229 VanDerWaalsContact CZ-CG2 3.47Å; R201-T229 VanDerWaalsContact NH1-CG2 3.34Å; R201-T229 PolarHBondContact NH1-OG1 3.33Å; R201-T229 VanDerWaalsContact NH1-OG1 3.17Å; R201-E232 IonicContact NH1-OE2 3.26Å; R201-E232 PolarHBondContact NH1-OE2 3.44Å; R201-L233 HydrophobicContact CG-CD2 4.01Å |
| 202 | E | 96.9 | Very high | 97.2 | Very high | 61 Ų | 61 | 36.9 Ų | 36.9 | 29% | 0.285 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -62.4 | -33 | 175.5 | -68.1 | -170.5 | -151.7 | 0 | 0 | 110.7 | H159 Y164 Q198 V199 G204 K543 | H159-E202 IonicContact CD2-OE2 2.95Å; H159-E202 IonicContact CE1-OE1 2.68Å; H159-E202 IonicContact NE2-OE1 3.87Å; H159-E202 IonicContact NE2-OE2 3.21Å; H159-E202 PolarHBondContact NE2-OE2 3.09Å; H159-E202 VanDerWaalsContact NE2-OE2 3.15Å; Y164-E202 HydrophobicContact CD1-CB 4.04Å; Y164-E202 HydrophobicContact CE1-CB 3.46Å; Y164-E202 VanDerWaalsContact CE1-CB 3.46Å; Y164-E202 HydrophobicContact CE1-CG 4.5Å; Q198-E202 HydrophobicContact CG-CG 4.33Å; Q198-E202 WeakPolarHBondContact CG-OE1 3.4Å; Q198-E202 PolarHBondContact NE2-OE1 3.36Å; Q198-E202 WeakPolarHBondContact O-CG 3.49Å; Q198-E202 PolarHBondContact O-N 3.38Å; V199-E202 PolarHBondContact O-N 3.35Å; E202-G204 PolarHBondContact O-N 3.06Å; E202-K543 VanDerWaalsContact CD-NZ 3.33Å; E202-K543 IonicContact OE1-NZ 2.81Å; E202-K543 PolarHBondContact OE1-NZ 3.25Å; E202-K543 IonicContact OE2-NZ 3.09Å; E202-K543 PolarHBondContact OE2-NZ 3.38Å |
| 203 | A | 95.5 | Very high | 97.3 | Very high | 39 Ų | 39 | 36.8 Ų | 36.8 | 32% | 0.322 | 18% | 0.178 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -9.4 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | Y164 V199 R201 L205 | Y164-A203 HydrophobicContact CD2-CB 4.47Å; Y164-A203 HydrophobicContact CG-CB 4.05Å; V199-A203 WeakPolarHBondContact O-CB 3.46Å; V199-A203 PolarHBondContact O-N 3.45Å; R201-A203 PolarHBondContact O-N 3.02Å; A203-L205 VanDerWaalsContact C-N 3.3Å; A203-L205 HydrophobicContact CB-CD1 4.18Å; A203-L205 HydrophobicContact CB-CG 4.05Å; A203-L205 PolarHBondContact O-N 3.03Å |
| 204 | G | 95.9 | Very high | 97.3 | Very high | 34 Ų | 34 | 40 Ų | 40 | 35% | 0.351 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 10 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L200 R201 E202 Y206 | L200-G204 PolarHBondContact O-N 3.1Å; R201-G204 PolarHBondContact O-N 2.87Å; E202-G204 PolarHBondContact O-N 3.06Å; G204-Y206 WeakPolarHBondContact O-CD2 3.38Å; G204-Y206 PolarHBondContact O-N 3.04Å |
| 205 | L | 96.3 | Very high | 97.2 | Very high | 65 Ų | 65 | 44.2 Ų | 44.2 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | trans | -82.1 | 59 | 179.5 | -60.3 | 175.5 | 0 | 0 | 0 | 111.2 | L200 A203 R207 E208 A209 | L200-L205 HydrophobicContact CD2-CD1 4.08Å; L200-L205 PolarHBondContact O-N 3.3Å; A203-L205 VanDerWaalsContact C-N 3.3Å; A203-L205 HydrophobicContact CB-CD1 4.18Å; A203-L205 HydrophobicContact CB-CG 4.05Å; A203-L205 PolarHBondContact O-N 3.03Å; L205-R207 PolarHBondContact O-N 2.79Å; L205-E208 HydrophobicContact CB-CB 4.29Å; L205-E208 PolarHBondContact O-N 2.79Å; L205-A209 WeakPolarHBondContact O-CB 3.26Å; L205-A209 PolarHBondContact O-N 3.15Å | ||
| 206 | Y | 97.3 | Very high | 97 | Very high | 85 Ų | 85 | 45.9 Ų | 45.9 | 33% | 0.333 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -62.4 | -36.5 | -168.8 | -57.1 | -52.7 | 0 | 0 | 0 | 114.4 | G204 L210 L233 Q236 | G204-Y206 WeakPolarHBondContact O-CD2 3.38Å; G204-Y206 PolarHBondContact O-N 3.04Å; Y206-L210 PolarHBondContact O-N 3.25Å; Y206-L233 HydrophobicContact CD1-CD2 3.8Å; Y206-L233 HydrophobicContact CG-CD2 4.31Å; Y206-Q236 HydrophobicContact CD2-CB 4.13Å; Y206-Q236 HydrophobicContact CE1-CG 4.49Å; Y206-Q236 HydrophobicContact CE2-CB 4.49Å; Y206-Q236 HydrophobicContact CG-CB 4.18Å |
| 207 | R | 96.9 | Very high | 96.8 | Very high | 166 Ų | 166 | 48 Ų | 48 | 63% | 0.626 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.6 | -48.1 | 177.4 | -172.5 | -175.8 | 70.5 | 176.7 | 0.3 | 111.2 | L205 A209 L210 E211 L237 | L205-R207 PolarHBondContact O-N 2.79Å; R207-A209 VanDerWaalsContact C-N 3.31Å; R207-A209 PolarHBondContact O-N 2.93Å; R207-L210 PolarHBondContact O-N 2.77Å; R207-E211 IonicContact NE-OE1 3.68Å; R207-E211 WeakPolarHBondContact O-CG 3.39Å; R207-E211 PolarHBondContact O-N 2.79Å; R207-L237 HydrophobicContact CB-CD2 4.39Å |
| 208 | E | 96.7 | Very high | 96.5 | Very high | 89 Ų | 89 | 56.5 Ų | 56.5 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.2 | -39.3 | 178.4 | -63.5 | 178.9 | -153.1 | 0 | 0 | 111.1 | L205 L210 E211 H212 | L205-E208 HydrophobicContact CB-CB 4.29Å; L205-E208 PolarHBondContact O-N 2.79Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.41Å; E208-E211 PolarHBondContact O-N 2.8Å; E208-H212 WeakPolarHBondContact O-CB 3.47Å; E208-H212 PolarHBondContact O-N 3.4Å |
| 209 | A | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.1 | -40.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | N197 L200 R201 L205 R207 L213 L233 | N197-A209 PolarHBondContact ND2-O 3.11Å; L200-A209 HydrophobicContact CB-CB 3.99Å; R201-A209 HydrophobicContact CG-CB 3.84Å; L205-A209 WeakPolarHBondContact O-CB 3.26Å; L205-A209 PolarHBondContact O-N 3.15Å; R207-A209 VanDerWaalsContact C-N 3.31Å; R207-A209 PolarHBondContact O-N 2.93Å; A209-L213 VanDerWaalsContact O-CB 3.25Å; A209-L213 WeakPolarHBondContact O-CB 3.46Å; A209-L213 PolarHBondContact O-N 3.46Å; A209-L233 HydrophobicContact CB-CD1 3.94Å; A209-L233 HydrophobicContact CB-CD2 3.98Å |
| 210 | L | 98.3 | Very high | 96.1 | Very high | 14 Ų | 14 | 57.1 Ų | 57.1 | 7% | 0.073 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -69.4 | -45.7 | 178.2 | -176.6 | 62.4 | 0 | 0 | 0 | 111.5 | Y206 R207 E208 H212 L213 C214 K230 L233 L234 L237 | Y206-L210 PolarHBondContact O-N 3.25Å; R207-L210 PolarHBondContact O-N 2.77Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.41Å; L210-H212 PolarHBondContact O-N 3.33Å; L210-L213 PolarHBondContact O-N 3.31Å; L210-C214 PolarHBondContact O-N 3.23Å; L210-C214 PolarHBondContact O-SG 2.95Å; L210-C214 VanDerWaalsContact O-SG 3.4Å; L210-K230 HydrophobicContact CD1-CG 4.3Å; L210-L233 HydrophobicContact CB-CB 4.39Å; L210-L233 HydrophobicContact CB-CD1 4.08Å; L210-L233 HydrophobicContact CD1-CB 4.24Å; L210-L233 HydrophobicContact CD1-CD1 4.32Å; L210-L234 HydrophobicContact CD2-CD2 3.82Å; L210-L237 HydrophobicContact CB-CD1 4.18Å; L210-L237 HydrophobicContact CD2-CD1 3.63Å |
| 211 | E | 97.5 | Very high | 96 | Very high | 110 Ų | 110 | 59 Ų | 59 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.9 | -45.8 | 176.3 | -72 | 174.6 | -163.5 | 0 | 0 | 111.5 | R207 E208 C214 T215 | R207-E211 IonicContact NE-OE1 3.68Å; R207-E211 WeakPolarHBondContact O-CG 3.39Å; R207-E211 PolarHBondContact O-N 2.79Å; E208-E211 PolarHBondContact O-N 2.8Å; E211-C214 PolarHBondContact O-N 2.81Å; E211-T215 VanDerWaalsContact O-CB 3.32Å; E211-T215 WeakPolarHBondContact O-CB 3.47Å; E211-T215 PolarHBondContact O-N 3.46Å; E211-T215 PolarHBondContact O-OG1 2.97Å |
| 212 | H | 97.2 | Very high | 96 | Very high | 18 Ų | 18 | 59.1 Ų | 59.1 | 8% | 0.083 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.8 | -47.9 | 174 | 177.9 | -77.2 | 0 | 0 | 0 | 111.5 | L193 Q196 N197 L200 E208 L210 T215 Y216 | L193-H212 PolarHBondContact O-CE1 3.45Å; Q196-H212 PolarHBondContact OE1-NE2 2.96Å; N197-H212 PolarHBondContact ND2-ND1 2.9Å; L200-H212 HydrophobicContact CD1-CB 4.15Å; E208-H212 WeakPolarHBondContact O-CB 3.47Å; E208-H212 PolarHBondContact O-N 3.4Å; L210-H212 PolarHBondContact O-N 3.33Å; H212-T215 PolarHBondContact O-N 3.21Å; H212-Y216 AromaticContact CD2-CD2 3.74Å; H212-Y216 AromaticContact CD2-CE2 3.56Å; H212-Y216 AromaticContact CE1-CD2 3.65Å; H212-Y216 AromaticContact CG-CD2 3.94Å; H212-Y216 AromaticContact ND1-CD2 3.89Å; H212-Y216 AromaticContact NE2-CD2 3.54Å; H212-Y216 AromaticContact NE2-CE2 3.58Å; H212-Y216 WeakPolarHBondContact O-CD2 3.28Å; H212-Y216 PolarHBondContact O-N 3.4Å; H212-Y216 VanDerWaalsContact O-N 3.12Å |
| 213 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61 | -48.1 | -179 | -173.1 | 66.6 | 0 | 0 | 0 | 111.2 | L194 A209 L210 T215 Y216 E217 I220 V226 T229 K230 L233 | L194-L213 HydrophobicContact CD2-CD1 4.3Å; A209-L213 VanDerWaalsContact O-CB 3.25Å; A209-L213 WeakPolarHBondContact O-CB 3.46Å; A209-L213 PolarHBondContact O-N 3.46Å; L210-L213 PolarHBondContact O-N 3.31Å; L213-T215 VanDerWaalsContact C-N 3.34Å; L213-T215 PolarHBondContact O-N 3.12Å; L213-Y216 PolarHBondContact O-N 3Å; L213-E217 WeakPolarHBondContact O-CA 3.46Å; L213-E217 VanDerWaalsContact O-CB 3.31Å; L213-E217 WeakPolarHBondContact O-CB 3.17Å; L213-E217 PolarHBondContact O-N 3.38Å; L213-I220 HydrophobicContact CD1-CD1 4.1Å; L213-V226 HydrophobicContact CD1-CG1 4.34Å; L213-V226 HydrophobicContact CD1-CG2 4.21Å; L213-V226 HydrophobicContact CD2-CG1 4.48Å; L213-V226 HydrophobicContact CG-CG1 4.39Å; L213-T229 HydrophobicContact CD2-CG2 3.91Å; L213-K230 HydrophobicContact CD2-CB 3.96Å; L213-L233 HydrophobicContact CD2-CD1 4.4Å |
| 214 | C | 95.8 | Very high | 96.1 | Very high | 67 Ų | 67 | 61 Ų | 61 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.7 | -38 | 177.5 | -69.4 | 0 | 0 | 0 | 0 | 112.4 | L210 E211 Y216 | L210-C214 PolarHBondContact O-N 3.23Å; L210-C214 PolarHBondContact O-SG 2.95Å; L210-C214 VanDerWaalsContact O-SG 3.4Å; E211-C214 PolarHBondContact O-N 2.81Å; C214-Y216 VanDerWaalsContact C-N 3.34Å; C214-Y216 PolarHBondContact O-N 3.47Å |
| 215 | T | 95.1 | Very high | 96.2 | Very high | 92 Ų | 92 | 59.8 Ų | 59.8 | 56% | 0.564 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.9 | -42.7 | 178.9 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | E211 H212 L213 | E211-T215 VanDerWaalsContact O-CB 3.32Å; E211-T215 WeakPolarHBondContact O-CB 3.47Å; E211-T215 PolarHBondContact O-N 3.46Å; E211-T215 PolarHBondContact O-OG1 2.97Å; H212-T215 PolarHBondContact O-N 3.21Å; L213-T215 VanDerWaalsContact C-N 3.34Å; L213-T215 PolarHBondContact O-N 3.12Å |
| 216 | Y | 93.9 | Very high | 96.3 | Very high | 35 Ų | 35 | 56.7 Ų | 56.7 | 14% | 0.137 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -104.1 | 2.6 | -173.6 | -58.5 | -67.4 | 0 | 0 | 0 | 114.5 | R175 L193 H212 L213 C214 K218 Q219 I220 | R175-Y216 PolarHBondContact NE-OH 3.33Å; R175-Y216 PolarHBondContact NH1-OH 3.45Å; R175-Y216 PolarHBondContact NH2-OH 2.87Å; R175-Y216 VanDerWaalsContact NH2-OH 3.08Å; L193-Y216 HydrophobicContact CD1-CG 4.36Å; L193-Y216 HydrophobicContact CD2-CD1 4.05Å; L193-Y216 HydrophobicContact CD2-CD2 3.88Å; L193-Y216 HydrophobicContact CD2-CE2 4.43Å; L193-Y216 HydrophobicContact CD2-CG 3.68Å; H212-Y216 AromaticContact CD2-CD2 3.74Å; H212-Y216 AromaticContact CD2-CE2 3.56Å; H212-Y216 AromaticContact CE1-CD2 3.65Å; H212-Y216 AromaticContact CG-CD2 3.94Å; H212-Y216 AromaticContact ND1-CD2 3.89Å; H212-Y216 AromaticContact NE2-CD2 3.54Å; H212-Y216 AromaticContact NE2-CE2 3.58Å; H212-Y216 WeakPolarHBondContact O-CD2 3.28Å; H212-Y216 PolarHBondContact O-N 3.4Å; H212-Y216 VanDerWaalsContact O-N 3.12Å; L213-Y216 PolarHBondContact O-N 3Å; C214-Y216 VanDerWaalsContact C-N 3.34Å; C214-Y216 PolarHBondContact O-N 3.47Å; Y216-K218 PolarHBondContact O-N 3.28Å; Y216-Q219 WeakPolarHBondContact O-CA 3.29Å; Y216-Q219 PolarHBondContact O-N 3.04Å; Y216-I220 WeakPolarHBondContact O-CG1 3.3Å; Y216-I220 PolarHBondContact O-N 2.92Å |
| 217 | E | 94.9 | Very high | 96.4 | Very high | 52 Ų | 52 | 54.9 Ų | 54.9 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | G | 310 helix | trans | -49.8 | -39 | -176.9 | 174.6 | 166.1 | -172.7 | 0 | 0 | 113.8 | L213 Q219 I220 K223 V226 K230 | L213-E217 WeakPolarHBondContact O-CA 3.46Å; L213-E217 VanDerWaalsContact O-CB 3.31Å; L213-E217 WeakPolarHBondContact O-CB 3.17Å; L213-E217 PolarHBondContact O-N 3.38Å; E217-Q219 VanDerWaalsContact C-N 3.26Å; E217-Q219 PolarHBondContact O-N 3.39Å; E217-I220 PolarHBondContact O-N 3.38Å; E217-K223 PolarHBondContact O-NZ 2.92Å; E217-V226 HydrophobicContact CG-CG1 4.05Å; E217-K230 VanDerWaalsContact CD-NZ 3.32Å; E217-K230 IonicContact OE1-NZ 2.78Å; E217-K230 PolarHBondContact OE1-NZ 3.2Å; E217-K230 IonicContact OE2-NZ 3.63Å; E217-K230 PolarHBondContact OE2-NZ 3.18Å |
| 218 | K | 91.5 | Very high | 96.4 | Very high | 180 Ų | 180 | 50.5 Ų | 50.5 | 78% | 0.783 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -67 | -26.5 | 179.6 | -64.9 | -173.7 | 179.2 | -178.1 | 0 | 113.2 | Y216 | Y216-K218 PolarHBondContact O-N 3.28Š|
| 219 | Q | 92.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 13% | 0.131 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -94.4 | -4.3 | -178.8 | -64 | 174 | 62 | 0 | 0 | 112.5 | Y189 L193 Y216 E217 | Y189-Q219 VanDerWaalsContact CE1-OE1 3.24Å; L193-Q219 HydrophobicContact CD1-CB 4.12Å; Y216-Q219 WeakPolarHBondContact O-CA 3.29Å; Y216-Q219 PolarHBondContact O-N 3.04Å; E217-Q219 VanDerWaalsContact C-N 3.26Å; E217-Q219 PolarHBondContact O-N 3.39Å |
| 220 | I | 95.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | trans | -97.8 | 119.1 | 178.7 | -63.3 | 167 | 0 | 0 | 0 | 109.5 | S190 L193 L194 L213 Y216 E217 K223 V226 | S190-I220 WeakPolarHBondContact OG-CA 3.37Å; L193-I220 HydrophobicContact CB-CD1 4.16Å; L193-I220 HydrophobicContact CB-CG1 4.05Å; L193-I220 HydrophobicContact CD1-CG1 3.87Å; L194-I220 HydrophobicContact CD1-CG2 3.58Å; L194-I220 HydrophobicContact CD2-CD1 4.07Å; L194-I220 HydrophobicContact CD2-CG2 3.97Å; L194-I220 HydrophobicContact CG-CD1 4.3Å; L194-I220 HydrophobicContact CG-CG2 3.76Å; L213-I220 HydrophobicContact CD1-CD1 4.1Å; Y216-I220 WeakPolarHBondContact O-CG1 3.3Å; Y216-I220 PolarHBondContact O-N 2.92Å; E217-I220 PolarHBondContact O-N 3.38Å; I220-K223 VanDerWaalsContact O-CE 3.27Å; I220-K223 WeakPolarHBondContact O-CE 3.43Å; I220-K223 PolarHBondContact O-NZ 3.16Å; I220-V226 HydrophobicContact CB-CG2 3.95Å; I220-V226 HydrophobicContact CD1-CG2 4.3Å; I220-V226 HydrophobicContact CG2-CG2 3.43Å; I220-V226 VanDerWaalsContact CG2-CG2 3.43Å | ||
| 221 | C | 95.5 | Very high | 96.5 | Very high | 54 Ų | 54 | 47.2 Ų | 47.2 | 37% | 0.365 | 24% | 0.238 | S | C | . | . | trans | -79.8 | -30.7 | 178.8 | 56.8 | 0 | 0 | 0 | 0 | 113.5 | V185 S190 K223 | V185-C221 HydrophobicContact CG1-CB 3.55Å; S190-C221 PolarHBondContact OG-N 2.96Å; S190-C221 PolarHBondContact OG-SG 3.09Å; S190-C221 VanDerWaalsContact OG-SG 3.35Å; C221-K223 VanDerWaalsContact C-N 3.3Å; C221-K223 PolarHBondContact O-N 3.49Å | ||
| 222 | D | 97.6 | Very high | 96.6 | Very high | 51 Ų | 51 | 46 Ų | 46 | 27% | 0.273 | 23% | 0.233 | S | C | . | . | trans | -76.5 | 81.7 | -179.7 | -179.1 | 2 | 0 | 0 | 0 | 110.5 | L194 L224 A225 V226 R536 | L194-D222 HydrophobicContact CD1-CB 3.84Å; D222-L224 PolarHBondContact O-N 3.34Å; D222-L224 PolarHBondContact OD1-N 2.64Å; D222-A225 HydrophobicContact CB-CB 4.31Å; D222-A225 VanDerWaalsContact CG-CB 3.43Å; D222-A225 PolarHBondContact O-N 3.02Å; D222-A225 PolarHBondContact OD1-N 3.45Å; D222-A225 WeakPolarHBondContact OD2-CB 3.39Å; D222-V226 WeakPolarHBondContact O-CG2 3.49Å; D222-V226 PolarHBondContact O-N 3.47Å; D222-V226 VanDerWaalsContact O-N 3.15Å; D222-R536 IonicContact OD2-CZ 2.94Å; D222-R536 IonicContact OD2-NH1 3.81Å; D222-R536 IonicContact OD2-NH2 2.85Å; D222-R536 PolarHBondContact OD2-NH2 3.07Å | ||
| 223 | K | 97.2 | Very high | 96.6 | Very high | 89 Ų | 89 | 45.2 Ų | 45.2 | 39% | 0.387 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -66.8 | -25.6 | -178.3 | -58.4 | -50 | -173.7 | -174.3 | 0 | 113.1 | E217 I220 C221 E227 | E217-K223 PolarHBondContact O-NZ 2.92Å; I220-K223 VanDerWaalsContact O-CE 3.27Å; I220-K223 WeakPolarHBondContact O-CE 3.43Å; I220-K223 PolarHBondContact O-NZ 3.16Å; C221-K223 VanDerWaalsContact C-N 3.3Å; C221-K223 PolarHBondContact O-N 3.49Å; K223-E227 WeakPolarHBondContact O-CG 3.39Å; K223-E227 PolarHBondContact O-N 3.22Å |
| 224 | L | 98.2 | Very high | 96.7 | Very high | 50 Ų | 50 | 45.6 Ų | 45.6 | 26% | 0.262 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.6 | -50.8 | 175.9 | 176.9 | 61.9 | 0 | 0 | 0 | 109.8 | D222 V226 E227 E228 L250 Y260 | D222-L224 PolarHBondContact O-N 3.34Å; D222-L224 PolarHBondContact OD1-N 2.64Å; L224-V226 VanDerWaalsContact C-N 3.27Å; L224-V226 PolarHBondContact O-N 2.93Å; L224-E227 PolarHBondContact O-N 3.22Å; L224-E228 HydrophobicContact CD1-CG 3.87Å; L224-E228 HydrophobicContact CG-CG 4.4Å; L224-E228 WeakPolarHBondContact O-CB 3.45Å; L224-E228 PolarHBondContact O-N 2.84Å; L224-L250 HydrophobicContact CD1-CD2 4.05Å; L224-Y260 WeakPolarHBondContact CD1-OH 3.21Å |
| 225 | A | 98 | Very high | 96.8 | Very high | 9 Ų | 9 | 44 Ų | 44 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L194 D222 T229 R536 | L194-A225 HydrophobicContact CD1-CB 4.04Å; L194-A225 HydrophobicContact CD2-CB 4.34Å; D222-A225 HydrophobicContact CB-CB 4.31Å; D222-A225 VanDerWaalsContact CG-CB 3.43Å; D222-A225 PolarHBondContact O-N 3.02Å; D222-A225 PolarHBondContact OD1-N 3.45Å; D222-A225 WeakPolarHBondContact OD2-CB 3.39Å; A225-T229 WeakPolarHBondContact O-CB 3.4Å; A225-T229 PolarHBondContact O-N 3.25Å; A225-T229 PolarHBondContact O-OG1 3.47Å; A225-R536 VanDerWaalsContact CB-NH1 3.34Å |
| 226 | V | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.2 | -55.3 | 173.9 | 172.3 | 0 | 0 | 0 | 0 | 111 | L194 L213 E217 I220 D222 L224 T229 K230 | L194-V226 HydrophobicContact CD2-CG2 4.47Å; L213-V226 HydrophobicContact CD1-CG1 4.34Å; L213-V226 HydrophobicContact CD1-CG2 4.21Å; L213-V226 HydrophobicContact CD2-CG1 4.48Å; L213-V226 HydrophobicContact CG-CG1 4.39Å; E217-V226 HydrophobicContact CG-CG1 4.05Å; I220-V226 HydrophobicContact CB-CG2 3.95Å; I220-V226 HydrophobicContact CD1-CG2 4.3Å; I220-V226 HydrophobicContact CG2-CG2 3.43Å; I220-V226 VanDerWaalsContact CG2-CG2 3.43Å; D222-V226 WeakPolarHBondContact O-CG2 3.49Å; D222-V226 PolarHBondContact O-N 3.47Å; D222-V226 VanDerWaalsContact O-N 3.15Å; L224-V226 VanDerWaalsContact C-N 3.27Å; L224-V226 PolarHBondContact O-N 2.93Å; V226-T229 PolarHBondContact O-N 3.05Å; V226-K230 WeakPolarHBondContact O-CB 3.48Å; V226-K230 PolarHBondContact O-N 3.27Å |
| 227 | E | 98.4 | Very high | 97 | Very high | 48 Ų | 48 | 45.7 Ų | 45.7 | 22% | 0.224 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69 | -40.8 | -174.7 | -67 | -53.7 | 135.4 | 0 | 0 | 112.4 | K223 L224 T229 K230 G231 V246 L250 | K223-E227 WeakPolarHBondContact O-CG 3.39Å; K223-E227 PolarHBondContact O-N 3.22Å; L224-E227 PolarHBondContact O-N 3.22Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-T229 PolarHBondContact O-N 2.98Å; E227-K230 PolarHBondContact O-N 3.07Å; E227-K230 IonicContact OE1-NZ 3.37Å; E227-K230 PolarHBondContact OE1-NZ 2.88Å; E227-K230 IonicContact OE2-NZ 3.15Å; E227-G231 PolarHBondContact O-N 3.3Å; E227-V246 HydrophobicContact CB-CG1 4.36Å; E227-V246 WeakPolarHBondContact O-CG1 3.21Å; E227-V246 WeakPolarHBondContact OE2-CG1 3.38Å; E227-L250 HydrophobicContact CB-CD1 4.46Å; E227-L250 HydrophobicContact CB-CD2 3.6Å; E227-L250 HydrophobicContact CB-CG 4Å |
| 228 | E | 98.4 | Very high | 97.1 | Very high | 73 Ų | 73 | 48 Ų | 48 | 34% | 0.341 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62 | -42.9 | 175 | -72.9 | -172.6 | 144.9 | 0 | 0 | 111.6 | L224 E232 L250 Y260 | L224-E228 HydrophobicContact CD1-CG 3.87Å; L224-E228 HydrophobicContact CG-CG 4.4Å; L224-E228 WeakPolarHBondContact O-CB 3.45Å; L224-E228 PolarHBondContact O-N 2.84Å; E228-E232 PolarHBondContact O-N 3.46Å; E228-L250 HydrophobicContact CG-CD1 4.19Å; E228-L250 HydrophobicContact CG-CD2 3.98Å; E228-Y260 HydrophobicContact CG-CE1 4.22Å; E228-Y260 WeakPolarHBondContact OE1-CE1 3.45Å; E228-Y260 PolarHBondContact OE1-OH 3.31Å |
| 229 | T | 98.4 | Very high | 97.4 | Very high | 7 Ų | 7 | 45.3 Ų | 45.3 | 4% | 0.043 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.8 | -42.5 | 177.1 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | N197 R201 L213 A225 V226 E227 E232 L233 | N197-T229 WeakPolarHBondContact OD1-CG2 3.43Å; R201-T229 VanDerWaalsContact CZ-CG2 3.47Å; R201-T229 VanDerWaalsContact NH1-CG2 3.34Å; R201-T229 PolarHBondContact NH1-OG1 3.33Å; R201-T229 VanDerWaalsContact NH1-OG1 3.17Å; L213-T229 HydrophobicContact CD2-CG2 3.91Å; A225-T229 WeakPolarHBondContact O-CB 3.4Å; A225-T229 PolarHBondContact O-N 3.25Å; A225-T229 PolarHBondContact O-OG1 3.47Å; V226-T229 PolarHBondContact O-N 3.05Å; E227-T229 VanDerWaalsContact C-N 3.34Å; E227-T229 PolarHBondContact O-N 2.98Å; T229-E232 PolarHBondContact O-N 3.39Å; T229-L233 HydrophobicContact CG2-CD1 3.76Å; T229-L233 HydrophobicContact CG2-CG 4.18Å; T229-L233 WeakPolarHBondContact O-CB 3.37Å; T229-L233 VanDerWaalsContact O-CG 3.26Å; T229-L233 WeakPolarHBondContact O-CG 3.27Å; T229-L233 PolarHBondContact O-N 2.9Å |
| 230 | K | 98.4 | Very high | 97.7 | Very high | 27 Ų | 27 | 46.7 Ų | 46.7 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -46.7 | 177.7 | -169.9 | -173.5 | -67.4 | 165.4 | 0 | 110.6 | L210 L213 E217 V226 E227 E232 L233 L234 V246 | L210-K230 HydrophobicContact CD1-CG 4.3Å; L213-K230 HydrophobicContact CD2-CB 3.96Å; E217-K230 VanDerWaalsContact CD-NZ 3.32Å; E217-K230 IonicContact OE1-NZ 2.78Å; E217-K230 PolarHBondContact OE1-NZ 3.2Å; E217-K230 IonicContact OE2-NZ 3.63Å; E217-K230 PolarHBondContact OE2-NZ 3.18Å; V226-K230 WeakPolarHBondContact O-CB 3.48Å; V226-K230 PolarHBondContact O-N 3.27Å; E227-K230 PolarHBondContact O-N 3.07Å; E227-K230 IonicContact OE1-NZ 3.37Å; E227-K230 PolarHBondContact OE1-NZ 2.88Å; E227-K230 IonicContact OE2-NZ 3.15Å; K230-E232 PolarHBondContact O-N 3Å; K230-L233 PolarHBondContact O-N 3.5Å; K230-L234 HydrophobicContact CG-CD1 3.92Å; K230-L234 WeakPolarHBondContact O-CB 3.08Å; K230-L234 WeakPolarHBondContact O-CD1 3.48Å; K230-L234 WeakPolarHBondContact O-CG 3.29Å; K230-L234 PolarHBondContact O-N 3.1Å; K230-V246 HydrophobicContact CB-CG1 4.49Å; K230-V246 HydrophobicContact CD-CG2 3.75Å; K230-V246 HydrophobicContact CG-CG2 4.06Å |
| 231 | G | 98 | Very high | 97.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E227 L235 | E227-G231 PolarHBondContact O-N 3.3Å; G231-L235 WeakPolarHBondContact O-CG 3.28Å; G231-L235 PolarHBondContact O-N 3Å; G231-L235 VanDerWaalsContact O-N 3.14Å |
| 232 | E | 98.1 | Very high | 97.9 | Very high | 86 Ų | 86 | 55 Ų | 55 | 40% | 0.402 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.5 | -49.8 | 175.2 | -177.2 | -177.4 | -157.7 | 0 | 0 | 112.1 | R201 E228 T229 K230 L234 L235 Q236 | R201-E232 IonicContact NH1-OE2 3.26Å; R201-E232 PolarHBondContact NH1-OE2 3.44Å; E228-E232 PolarHBondContact O-N 3.46Å; T229-E232 PolarHBondContact O-N 3.39Å; K230-E232 PolarHBondContact O-N 3Å; E232-L234 PolarHBondContact O-N 3Å; E232-L235 WeakPolarHBondContact O-CB 3.49Å; E232-L235 PolarHBondContact O-N 3.39Å; E232-Q236 WeakPolarHBondContact O-CG 3.45Å; E232-Q236 PolarHBondContact O-N 3.19Å |
| 233 | L | 98.4 | Very high | 97.9 | Very high | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | -179.5 | -73.3 | 174.7 | 0 | 0 | 0 | 112.3 | R201 Y206 A209 L210 L213 T229 K230 L235 Q236 L237 | R201-L233 HydrophobicContact CG-CD2 4.01Å; Y206-L233 HydrophobicContact CD1-CD2 3.8Å; Y206-L233 HydrophobicContact CG-CD2 4.31Å; A209-L233 HydrophobicContact CB-CD1 3.94Å; A209-L233 HydrophobicContact CB-CD2 3.98Å; L210-L233 HydrophobicContact CB-CB 4.39Å; L210-L233 HydrophobicContact CB-CD1 4.08Å; L210-L233 HydrophobicContact CD1-CB 4.24Å; L210-L233 HydrophobicContact CD1-CD1 4.32Å; L213-L233 HydrophobicContact CD2-CD1 4.4Å; T229-L233 HydrophobicContact CG2-CD1 3.76Å; T229-L233 HydrophobicContact CG2-CG 4.18Å; T229-L233 WeakPolarHBondContact O-CB 3.37Å; T229-L233 VanDerWaalsContact O-CG 3.26Å; T229-L233 WeakPolarHBondContact O-CG 3.27Å; T229-L233 PolarHBondContact O-N 2.9Å; K230-L233 PolarHBondContact O-N 3.5Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.45Å; L233-Q236 PolarHBondContact O-N 3.19Å; L233-L237 WeakPolarHBondContact O-CB 3.5Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.89Å |
| 234 | L | 98.4 | Very high | 98 | Very high | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.7 | -38.3 | 177.2 | -69.6 | 167.1 | 0 | 0 | 0 | 111.7 | L210 K230 E232 L237 C238 R239 D242 A243 V246 | L210-L234 HydrophobicContact CD2-CD2 3.82Å; K230-L234 HydrophobicContact CG-CD1 3.92Å; K230-L234 WeakPolarHBondContact O-CB 3.08Å; K230-L234 WeakPolarHBondContact O-CD1 3.48Å; K230-L234 WeakPolarHBondContact O-CG 3.29Å; K230-L234 PolarHBondContact O-N 3.1Å; E232-L234 PolarHBondContact O-N 3Å; L234-L237 CarbonylContact O-C 3.54Å; L234-L237 PolarHBondContact O-N 3.03Å; L234-C238 PolarHBondContact O-N 3.45Å; L234-C238 VanDerWaalsContact O-N 3.16Å; L234-R239 HydrophobicContact CB-CB 4.34Å; L234-R239 HydrophobicContact CD2-CB 3.78Å; L234-R239 HydrophobicContact CD2-CG 4.42Å; L234-R239 PolarHBondContact O-N 3.06Å; L234-D242 HydrophobicContact CD1-CB 3.77Å; L234-D242 HydrophobicContact CD2-CB 3.9Å; L234-D242 HydrophobicContact CG-CB 4.36Å; L234-A243 HydrophobicContact CB-CB 3.74Å; L234-V246 HydrophobicContact CD1-CG2 3.8Å |
| 235 | L | 98 | Very high | 98 | Very high | 33 Ų | 33 | 50.7 Ų | 50.7 | 17% | 0.173 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.7 | -45.9 | 171.9 | -76.5 | 179 | 0 | 0 | 0 | 112 | G231 E232 L233 L237 C238 L240 A243 Y247 K266 A267 | G231-L235 WeakPolarHBondContact O-CG 3.28Å; G231-L235 PolarHBondContact O-N 3Å; G231-L235 VanDerWaalsContact O-N 3.14Å; E232-L235 WeakPolarHBondContact O-CB 3.49Å; E232-L235 PolarHBondContact O-N 3.39Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 3.45Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 2.92Å; L235-C238 PolarHBondContact O-N 3.16Å; L235-C238 VanDerWaalsContact O-N 3.08Å; L235-L240 HydrophobicContact CD2-CD2 4.04Å; L235-A243 HydrophobicContact CD2-CB 3.95Å; L235-A243 HydrophobicContact CG-CB 4.06Å; L235-Y247 HydrophobicContact CD1-CE2 3.55Å; L235-Y247 HydrophobicContact CG-CE2 3.98Å; L235-K266 HydrophobicContact CD1-CB 4.09Å; L235-K266 HydrophobicContact CD1-CD 4.13Å; L235-K266 HydrophobicContact CD2-CB 4.05Å; L235-A267 HydrophobicContact CD2-CB 3.98Å |
| 236 | Q | 97.5 | Very high | 98 | Very high | 101 Ų | 101 | 51 Ų | 51 | 47% | 0.472 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.6 | -37.7 | 178.8 | -66.9 | -66.3 | -2.9 | 0 | 0 | 112 | Y206 E232 L233 C238 | Y206-Q236 HydrophobicContact CD2-CB 4.13Å; Y206-Q236 HydrophobicContact CE1-CG 4.49Å; Y206-Q236 HydrophobicContact CE2-CB 4.49Å; Y206-Q236 HydrophobicContact CG-CB 4.18Å; E232-Q236 WeakPolarHBondContact O-CG 3.45Å; E232-Q236 PolarHBondContact O-N 3.19Å; L233-Q236 PolarHBondContact O-N 3.19Å; Q236-C238 PolarHBondContact O-N 3.35Å |
| 237 | L | 97.1 | Very high | 98 | Very high | 61 Ų | 61 | 52.2 Ų | 52.2 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 6.5 | 177.7 | -62.1 | 174.1 | 0 | 0 | 0 | 113.5 | R207 L210 L233 L234 L235 R239 | R207-L237 HydrophobicContact CB-CD2 4.39Å; L210-L237 HydrophobicContact CB-CD1 4.18Å; L210-L237 HydrophobicContact CD2-CD1 3.63Å; L233-L237 WeakPolarHBondContact O-CB 3.5Å; L233-L237 VanDerWaalsContact O-CG 3.28Å; L233-L237 WeakPolarHBondContact O-CG 3.49Å; L233-L237 PolarHBondContact O-N 2.89Å; L234-L237 CarbonylContact O-C 3.54Å; L234-L237 PolarHBondContact O-N 3.03Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 2.92Å; L237-R239 HydrophobicContact CB-CG 4.45Å; L237-R239 PolarHBondContact O-N 3.17Å; L237-R239 VanDerWaalsContact O-N 3.16Å |
| 238 | C | 96.9 | Very high | 98 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 68% | 0.682 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 24.4 | -178.4 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | L234 L235 Q236 L240 | L234-C238 PolarHBondContact O-N 3.45Å; L234-C238 VanDerWaalsContact O-N 3.16Å; L235-C238 PolarHBondContact O-N 3.16Å; L235-C238 VanDerWaalsContact O-N 3.08Å; Q236-C238 PolarHBondContact O-N 3.35Å; C238-L240 VanDerWaalsContact C-N 3.25Å; C238-L240 PolarHBondContact O-N 3.47Å; C238-L240 VanDerWaalsContact O-N 3.09Å |
| 239 | R | 97.6 | Very high | 98 | Very high | 124 Ų | 124 | 52.9 Ų | 52.9 | 47% | 0.468 | 27% | 0.268 | S | S | . | . | trans | -85.2 | 69.9 | 171.7 | -68.2 | -174.9 | 62.7 | 172.5 | 2.3 | 109.6 | L234 L237 E241 D242 A243 | L234-R239 HydrophobicContact CB-CB 4.34Å; L234-R239 HydrophobicContact CD2-CB 3.78Å; L234-R239 HydrophobicContact CD2-CG 4.42Å; L234-R239 PolarHBondContact O-N 3.06Å; L237-R239 HydrophobicContact CB-CG 4.45Å; L237-R239 PolarHBondContact O-N 3.17Å; L237-R239 VanDerWaalsContact O-N 3.16Å; R239-E241 PolarHBondContact O-N 3.33Å; R239-D242 IonicContact CZ-OD2 3.75Å; R239-D242 IonicContact NE-OD2 3.52Å; R239-D242 PolarHBondContact NE-OD2 3.37Å; R239-D242 IonicContact NH2-OD1 3.83Å; R239-D242 IonicContact NH2-OD2 3.51Å; R239-D242 PolarHBondContact NH2-OD2 3.15Å; R239-A243 WeakPolarHBondContact O-CB 3.1Å; R239-A243 PolarHBondContact O-N 3.19Å | ||
| 240 | L | 97.7 | Very high | 98 | Very high | 57 Ų | 57 | 52.6 Ų | 52.6 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.5 | -35.2 | -165.6 | -59.1 | -174.1 | 0 | 0 | 0 | 113.9 | L235 C238 A243 A244 A267 K269 | L235-L240 HydrophobicContact CD2-CD2 4.04Å; C238-L240 VanDerWaalsContact C-N 3.25Å; C238-L240 PolarHBondContact O-N 3.47Å; C238-L240 VanDerWaalsContact O-N 3.09Å; L240-A243 PolarHBondContact O-N 3.29Å; L240-A244 WeakPolarHBondContact O-CB 3.48Å; L240-A244 PolarHBondContact O-N 2.95Å; L240-A267 WeakPolarHBondContact CB-O 3.45Å; L240-K269 HydrophobicContact CD1-CD 3.84Å |
| 241 | E | 97.7 | Very high | 98 | Very high | 167 Ų | 167 | 52 Ų | 52 | 78% | 0.78 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -65 | -51.1 | 178.7 | -65.7 | 179.8 | 174.1 | 0 | 0 | 111 | R239 A243 A244 D245 | R239-E241 PolarHBondContact O-N 3.33Å; E241-A243 VanDerWaalsContact C-N 3.29Å; E241-A243 PolarHBondContact O-N 3.35Å; E241-A244 WeakPolarHBondContact O-CB 3.39Å; E241-A244 PolarHBondContact O-N 3.31Å; E241-A244 VanDerWaalsContact O-N 3.12Å; E241-D245 PolarHBondContact O-N 3.32Å; E241-D245 VanDerWaalsContact O-N 3.13Å |
| 242 | D | 97.8 | Very high | 98 | Very high | 61 Ų | 61 | 57.7 Ų | 57.7 | 33% | 0.326 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -40.6 | 175.8 | -57.4 | -49.8 | 0 | 0 | 0 | 111.4 | L234 R239 A244 D245 V246 | L234-D242 HydrophobicContact CD1-CB 3.77Å; L234-D242 HydrophobicContact CD2-CB 3.9Å; L234-D242 HydrophobicContact CG-CB 4.36Å; R239-D242 IonicContact CZ-OD2 3.75Å; R239-D242 IonicContact NE-OD2 3.52Å; R239-D242 PolarHBondContact NE-OD2 3.37Å; R239-D242 IonicContact NH2-OD1 3.83Å; R239-D242 IonicContact NH2-OD2 3.51Å; R239-D242 PolarHBondContact NH2-OD2 3.15Å; D242-A244 VanDerWaalsContact C-N 3.31Å; D242-A244 PolarHBondContact O-N 2.83Å; D242-D245 PolarHBondContact O-N 3.5Å; D242-V246 WeakPolarHBondContact O-CG2 3.34Å; D242-V246 PolarHBondContact O-N 2.96Å |
| 243 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L234 L235 R239 L240 E241 D245 V246 Y247 A267 | L234-A243 HydrophobicContact CB-CB 3.74Å; L235-A243 HydrophobicContact CD2-CB 3.95Å; L235-A243 HydrophobicContact CG-CB 4.06Å; R239-A243 WeakPolarHBondContact O-CB 3.1Å; R239-A243 PolarHBondContact O-N 3.19Å; L240-A243 PolarHBondContact O-N 3.29Å; E241-A243 VanDerWaalsContact C-N 3.29Å; E241-A243 PolarHBondContact O-N 3.35Å; A243-D245 VanDerWaalsContact C-N 3.31Å; A243-D245 PolarHBondContact O-N 3.35Å; A243-V246 PolarHBondContact O-N 3.04Å; A243-Y247 WeakPolarHBondContact O-CD2 3.15Å; A243-Y247 PolarHBondContact O-N 2.98Å; A243-A267 HydrophobicContact CB-CB 4.18Å |
| 244 | A | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L240 E241 D242 Y247 R248 L264 A267 L268 | L240-A244 WeakPolarHBondContact O-CB 3.48Å; L240-A244 PolarHBondContact O-N 2.95Å; E241-A244 WeakPolarHBondContact O-CB 3.39Å; E241-A244 PolarHBondContact O-N 3.31Å; E241-A244 VanDerWaalsContact O-N 3.12Å; D242-A244 VanDerWaalsContact C-N 3.31Å; D242-A244 PolarHBondContact O-N 2.83Å; A244-Y247 PolarHBondContact O-N 3.35Å; A244-R248 VanDerWaalsContact O-CG 3.28Å; A244-R248 WeakPolarHBondContact O-CG 3.46Å; A244-R248 PolarHBondContact O-N 3.02Å; A244-L264 HydrophobicContact CB-CD2 4.35Å; A244-L264 WeakPolarHBondContact O-CD2 3.43Å; A244-A267 HydrophobicContact CB-CB 3.94Å; A244-L268 HydrophobicContact CB-CD2 3.8Å; A244-L268 HydrophobicContact CB-CG 4.41Å |
| 245 | D | 98.3 | Very high | 97.9 | Very high | 98 Ų | 98 | 64.8 Ų | 64.8 | 52% | 0.524 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -43.7 | 177 | -71.2 | -20.1 | 0 | 0 | 0 | 112.4 | E241 D242 A243 Y247 R248 G249 | E241-D245 PolarHBondContact O-N 3.32Å; E241-D245 VanDerWaalsContact O-N 3.13Å; D242-D245 PolarHBondContact O-N 3.5Å; A243-D245 VanDerWaalsContact C-N 3.31Å; A243-D245 PolarHBondContact O-N 3.35Å; D245-Y247 PolarHBondContact O-N 2.75Å; D245-R248 PolarHBondContact O-N 3.01Å; D245-R248 IonicContact OD1-CZ 2.75Å; D245-R248 IonicContact OD1-NH1 3.67Å; D245-R248 PolarHBondContact OD1-NH1 3.02Å; D245-G249 PolarHBondContact O-N 3.18Å |
| 246 | V | 98.5 | Very high | 97.9 | Very high | 15 Ų | 15 | 67.1 Ų | 67.1 | 9% | 0.091 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -46.5 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | E227 K230 L234 D242 A243 R248 G249 L250 | E227-V246 HydrophobicContact CB-CG1 4.36Å; E227-V246 WeakPolarHBondContact O-CG1 3.21Å; E227-V246 WeakPolarHBondContact OE2-CG1 3.38Å; K230-V246 HydrophobicContact CB-CG1 4.49Å; K230-V246 HydrophobicContact CD-CG2 3.75Å; K230-V246 HydrophobicContact CG-CG2 4.06Å; L234-V246 HydrophobicContact CD1-CG2 3.8Å; D242-V246 WeakPolarHBondContact O-CG2 3.34Å; D242-V246 PolarHBondContact O-N 2.96Å; A243-V246 PolarHBondContact O-N 3.04Å; V246-R248 VanDerWaalsContact C-N 3.34Å; V246-R248 PolarHBondContact O-N 3.19Å; V246-G249 WeakPolarHBondContact O-CA 3.38Å; V246-G249 PolarHBondContact O-N 3.35Å; V246-G249 VanDerWaalsContact O-N 3.14Å; V246-L250 HydrophobicContact CG1-CD1 4.14Å; V246-L250 PolarHBondContact O-N 3.41Å |
| 247 | Y | 98.6 | Very high | 97.9 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 11% | 0.106 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.1 | -29.3 | 178.8 | -75.9 | -63.7 | 0 | 0 | 0 | 113.6 | L235 A243 A244 D245 G249 L250 Q251 Y260 | L235-Y247 HydrophobicContact CD1-CE2 3.55Å; L235-Y247 HydrophobicContact CG-CE2 3.98Å; A243-Y247 WeakPolarHBondContact O-CD2 3.15Å; A243-Y247 PolarHBondContact O-N 2.98Å; A244-Y247 PolarHBondContact O-N 3.35Å; D245-Y247 PolarHBondContact O-N 2.75Å; Y247-G249 VanDerWaalsContact C-N 3.34Å; Y247-L250 HydrophobicContact CD1-CD1 3.74Å; Y247-L250 HydrophobicContact CE1-CD1 4.01Å; Y247-L250 PolarHBondContact O-N 2.78Å; Y247-Q251 VanDerWaalsContact O-CB 3.27Å; Y247-Q251 WeakPolarHBondContact O-CB 3.23Å; Y247-Q251 PolarHBondContact O-N 3.18Å; Y247-Y260 HydrophobicContact CD1-CD1 4.34Å |
| 248 | R | 98.3 | Very high | 97.9 | Very high | 95 Ų | 95 | 67.6 Ų | 67.6 | 36% | 0.358 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 169.2 | -74.4 | 175.9 | -168.1 | 113.2 | 1.9 | 110.9 | A244 D245 V246 Q251 E252 L264 | A244-R248 VanDerWaalsContact O-CG 3.28Å; A244-R248 WeakPolarHBondContact O-CG 3.46Å; A244-R248 PolarHBondContact O-N 3.02Å; D245-R248 PolarHBondContact O-N 3.01Å; D245-R248 IonicContact OD1-CZ 2.75Å; D245-R248 IonicContact OD1-NH1 3.67Å; D245-R248 PolarHBondContact OD1-NH1 3.02Å; V246-R248 VanDerWaalsContact C-N 3.34Å; V246-R248 PolarHBondContact O-N 3.19Å; R248-Q251 PolarHBondContact O-N 3.45Å; R248-E252 PolarHBondContact O-N 3.43Å; R248-L264 HydrophobicContact CG-CD2 3.94Å |
| 249 | G | 98.2 | Very high | 98 | Very high | 39 Ų | 39 | 65.1 Ų | 65.1 | 40% | 0.402 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.2 | -43.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D245 V246 Y247 E252 R253 | D245-G249 PolarHBondContact O-N 3.18Å; V246-G249 WeakPolarHBondContact O-CA 3.38Å; V246-G249 PolarHBondContact O-N 3.35Å; V246-G249 VanDerWaalsContact O-N 3.14Å; Y247-G249 VanDerWaalsContact C-N 3.34Å; G249-E252 WeakPolarHBondContact O-CB 3.2Å; G249-E252 PolarHBondContact O-N 3.09Å; G249-R253 PolarHBondContact O-N 2.76Å |
| 250 | L | 98.3 | Very high | 98 | Very high | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64 | -40.8 | 174.7 | -74.6 | 170.1 | 0 | 0 | 0 | 112.2 | L224 E227 E228 V246 Y247 E252 R253 N254 Y260 | L224-L250 HydrophobicContact CD1-CD2 4.05Å; E227-L250 HydrophobicContact CB-CD1 4.46Å; E227-L250 HydrophobicContact CB-CD2 3.6Å; E227-L250 HydrophobicContact CB-CG 4Å; E228-L250 HydrophobicContact CG-CD1 4.19Å; E228-L250 HydrophobicContact CG-CD2 3.98Å; V246-L250 HydrophobicContact CG1-CD1 4.14Å; V246-L250 PolarHBondContact O-N 3.41Å; Y247-L250 HydrophobicContact CD1-CD1 3.74Å; Y247-L250 HydrophobicContact CE1-CD1 4.01Å; Y247-L250 PolarHBondContact O-N 2.78Å; L250-E252 VanDerWaalsContact C-N 3.28Å; L250-E252 PolarHBondContact O-N 3.46Å; L250-R253 WeakPolarHBondContact O-CB 3.42Å; L250-R253 PolarHBondContact O-N 2.9Å; L250-N254 PolarHBondContact O-N 2.84Å; L250-Y260 HydrophobicContact CB-CD1 3.85Å; L250-Y260 HydrophobicContact CB-CD2 3.8Å; L250-Y260 HydrophobicContact CB-CE1 4.01Å; L250-Y260 HydrophobicContact CB-CE2 3.9Å; L250-Y260 HydrophobicContact CB-CG 3.77Å; L250-Y260 HydrophobicContact CD1-CD1 4.08Å; L250-Y260 HydrophobicContact CD1-CE1 4.11Å; L250-Y260 HydrophobicContact CD2-CE1 4.23Å; L250-Y260 HydrophobicContact CG-CD1 4.48Å; L250-Y260 HydrophobicContact CG-CE1 4.37Å; L250-Y260 WeakPolarHBondContact O-CD2 3.32Å; L250-Y260 WeakPolarHBondContact O-CE2 3.32Å |
| 251 | Q | 98 | Very high | 98 | Very high | 14 Ų | 14 | 56.8 Ų | 56.8 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 173.2 | -174.3 | -171.4 | -14.7 | 0 | 0 | 111.2 | Y247 R248 N254 P255 Y261 Y287 | Y247-Q251 VanDerWaalsContact O-CB 3.27Å; Y247-Q251 WeakPolarHBondContact O-CB 3.23Å; Y247-Q251 PolarHBondContact O-N 3.18Å; R248-Q251 PolarHBondContact O-N 3.45Å; Q251-N254 CarbonylContact O-C 3.05Å; Q251-N254 PolarHBondContact O-N 2.97Å; Q251-P255 WeakPolarHBondContact O-CA 3.12Å; Q251-P255 WeakPolarHBondContact O-CD 3.44Å; Q251-P255 VanDerWaalsContact O-CG 3.23Å; Q251-P255 WeakPolarHBondContact O-CG 3.25Å; Q251-Y261 HydrophobicContact CG-CE1 4.42Å; Q251-Y287 HydrophobicContact CG-CE2 3.98Å |
| 252 | E | 97.9 | Very high | 98 | Very high | 119 Ų | 119 | 54.4 Ų | 54.4 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -66.9 | -38.2 | 174.1 | -172.1 | 164.5 | 168.6 | 0 | 0 | 113 | R248 G249 L250 K286 Y287 | R248-E252 PolarHBondContact O-N 3.43Å; G249-E252 WeakPolarHBondContact O-CB 3.2Å; G249-E252 PolarHBondContact O-N 3.09Å; L250-E252 VanDerWaalsContact C-N 3.28Å; L250-E252 PolarHBondContact O-N 3.46Å; E252-K286 IonicContact OE2-NZ 2.87Å; E252-K286 PolarHBondContact OE2-NZ 3.41Å; E252-Y287 WeakPolarHBondContact CA-OH 3.45Å; E252-Y287 VanDerWaalsContact CB-OH 3.23Å; E252-Y287 WeakPolarHBondContact CB-OH 3.45Å |
| 253 | R | 97.8 | Very high | 98 | Very high | 155 Ų | 155 | 51.6 Ų | 51.6 | 59% | 0.585 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -63.5 | -42.1 | 173.9 | 179.6 | 179.1 | 174.2 | 75.1 | 2.9 | 112.1 | G249 L250 | G249-R253 PolarHBondContact O-N 2.76Å; L250-R253 WeakPolarHBondContact O-CB 3.42Å; L250-R253 PolarHBondContact O-N 2.9Å |
| 254 | N | 98.1 | Very high | 98 | Very high | 67 Ų | 67 | 51.8 Ų | 51.8 | 36% | 0.358 | 25% | 0.253 | S | S | . | . | trans | -152 | 97.9 | 176.3 | -178.5 | 0.4 | 0 | 0 | 0 | 111.9 | L250 Q251 E256 N257 Y260 | L250-N254 PolarHBondContact O-N 2.84Å; Q251-N254 CarbonylContact O-C 3.05Å; Q251-N254 PolarHBondContact O-N 2.97Å; N254-E256 PolarHBondContact O-N 3.37Å; N254-E256 VanDerWaalsContact O-N 3.17Å; N254-E256 PolarHBondContact OD1-N 3.05Å; N254-N257 PolarHBondContact O-N 3.42Å; N254-Y260 HydrophobicContact CB-CE2 4.12Å; N254-Y260 WeakPolarHBondContact O-CD2 3.44Å; N254-Y260 WeakPolarHBondContact O-CE2 3.37Å | ||
| 255 | P | 97.6 | Very high | 98 | Very high | 23 Ų | 23 | 53 Ų | 53 | 15% | 0.149 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.5 | 178.1 | -19.7 | 30.8 | 0 | 0 | 0 | 114.8 | Q251 Y261 Y287 | Q251-P255 WeakPolarHBondContact O-CA 3.12Å; Q251-P255 WeakPolarHBondContact O-CD 3.44Å; Q251-P255 VanDerWaalsContact O-CG 3.23Å; Q251-P255 WeakPolarHBondContact O-CG 3.25Å; P255-Y261 VanDerWaalsContact O-CE2 3.25Å; P255-Y261 WeakPolarHBondContact O-CE2 3.46Å; P255-Y261 PolarHBondContact O-OH 3.33Å; P255-Y287 HydrophobicContact CB-CD1 4.37Å; P255-Y287 HydrophobicContact CB-CD2 3.95Å; P255-Y287 HydrophobicContact CB-CE2 4.47Å; P255-Y287 HydrophobicContact CB-CG 3.91Å; P255-Y287 HydrophobicContact CG-CD1 3.59Å; P255-Y287 HydrophobicContact CG-CD2 3.97Å; P255-Y287 HydrophobicContact CG-CE1 3.86Å; P255-Y287 HydrophobicContact CG-CE2 4.24Å; P255-Y287 HydrophobicContact CG-CG 3.65Å |
| 256 | E | 97.5 | Very high | 98 | Very high | 82 Ų | 82 | 55 Ų | 55 | 38% | 0.383 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 0.8 | -177.7 | -54.2 | -55.7 | 136.6 | 0 | 0 | 112.9 | N254 G290 L291 V292 | N254-E256 PolarHBondContact O-N 3.37Å; N254-E256 VanDerWaalsContact O-N 3.17Å; N254-E256 PolarHBondContact OD1-N 3.05Å; E256-G290 WeakPolarHBondContact OE1-CA 3.35Å; E256-L291 PolarHBondContact OE1-N 3.05Å; E256-L291 PolarHBondContact OE2-N 3.44Å; E256-V292 HydrophobicContact CB-CG2 4.25Å; E256-V292 WeakPolarHBondContact O-CG2 3.33Å; E256-V292 VanDerWaalsContact OE2-CG2 3.3Å; E256-V292 WeakPolarHBondContact OE2-CG2 3.41Å; E256-V292 PolarHBondContact OE2-N 3.22Å; E256-V292 VanDerWaalsContact OE2-N 3.16Å |
| 257 | N | 97.9 | Very high | 97.9 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 25% | 0.251 | 26% | 0.26 | S | S | . | . | trans | -90.7 | 118.1 | 177.2 | -169.2 | -16.5 | 0 | 0 | 0 | 111.7 | N254 A259 Y260 Y261 | N254-N257 PolarHBondContact O-N 3.42Å; N257-A259 PolarHBondContact O-N 3.16Å; N257-A259 VanDerWaalsContact OD1-CB 3.3Å; N257-A259 WeakPolarHBondContact OD1-CB 3.4Å; N257-A259 PolarHBondContact OD1-N 3.25Å; N257-Y260 HydrophobicContact CB-CD2 3.74Å; N257-Y260 HydrophobicContact CB-CE1 4.35Å; N257-Y260 HydrophobicContact CB-CE2 3.53Å; N257-Y260 HydrophobicContact CB-CG 4.27Å; N257-Y260 WeakPolarHBondContact ND2-CE1 3.34Å; N257-Y260 VanDerWaalsContact ND2-CZ 3.28Å; N257-Y260 PolarHBondContact ND2-OH 3.07Å; N257-Y260 PolarHBondContact O-N 3.41Å; N257-Y261 WeakPolarHBondContact O-CD2 3.26Å | ||
| 258 | W | 97.8 | Very high | 97.9 | Very high | 124 Ų | 124 | 56.9 Ų | 56.9 | 47% | 0.47 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.5 | -26.6 | -179.3 | -63.6 | 12.8 | 0 | 0 | 0 | 113.1 | Y260 Y261 K262 V292 L296 | W258-Y260 VanDerWaalsContact C-N 3.25Å; W258-Y260 PolarHBondContact O-N 3.33Å; W258-Y261 PolarHBondContact O-N 2.76Å; W258-K262 PolarHBondContact O-N 3.3Å; W258-V292 VanDerWaalsContact CD1-CG1 3.42Å; W258-V292 HydrophobicContact CG-CG1 4.45Å; W258-L296 HydrophobicContact CB-CD1 4.46Å; W258-L296 HydrophobicContact CD2-CD2 3.79Å; W258-L296 HydrophobicContact CE3-CD2 4.13Å; W258-L296 HydrophobicContact CG-CD1 4.24Å; W258-L296 HydrophobicContact CG-CD2 4.09Å; W258-L296 HydrophobicContact CZ2-CD2 4.36Å |
| 259 | A | 97.9 | Very high | 97.8 | Very high | 49 Ų | 49 | 59.6 Ų | 59.6 | 41% | 0.405 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.8 | -36.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N257 K262 G263 | N257-A259 PolarHBondContact O-N 3.16Å; N257-A259 VanDerWaalsContact OD1-CB 3.3Å; N257-A259 WeakPolarHBondContact OD1-CB 3.4Å; N257-A259 PolarHBondContact OD1-N 3.25Å; A259-K262 PolarHBondContact O-N 3.41Å; A259-G263 PolarHBondContact O-N 3.47Å |
| 260 | Y | 98.3 | Very high | 97.7 | Very high | 6 Ų | 6 | 59.4 Ų | 59.4 | 2% | 0.024 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.3 | -37.1 | -175.4 | -49.7 | -25.1 | 0 | 0 | 0 | 112 | L224 E228 Y247 L250 N254 N257 W258 G263 L264 | L224-Y260 WeakPolarHBondContact CD1-OH 3.21Å; E228-Y260 HydrophobicContact CG-CE1 4.22Å; E228-Y260 WeakPolarHBondContact OE1-CE1 3.45Å; E228-Y260 PolarHBondContact OE1-OH 3.31Å; Y247-Y260 HydrophobicContact CD1-CD1 4.34Å; L250-Y260 HydrophobicContact CB-CD1 3.85Å; L250-Y260 HydrophobicContact CB-CD2 3.8Å; L250-Y260 HydrophobicContact CB-CE1 4.01Å; L250-Y260 HydrophobicContact CB-CE2 3.9Å; L250-Y260 HydrophobicContact CB-CG 3.77Å; L250-Y260 HydrophobicContact CD1-CD1 4.08Å; L250-Y260 HydrophobicContact CD1-CE1 4.11Å; L250-Y260 HydrophobicContact CD2-CE1 4.23Å; L250-Y260 HydrophobicContact CG-CD1 4.48Å; L250-Y260 HydrophobicContact CG-CE1 4.37Å; L250-Y260 WeakPolarHBondContact O-CD2 3.32Å; L250-Y260 WeakPolarHBondContact O-CE2 3.32Å; N254-Y260 HydrophobicContact CB-CE2 4.12Å; N254-Y260 WeakPolarHBondContact O-CD2 3.44Å; N254-Y260 WeakPolarHBondContact O-CE2 3.37Å; N257-Y260 HydrophobicContact CB-CD2 3.74Å; N257-Y260 HydrophobicContact CB-CE1 4.35Å; N257-Y260 HydrophobicContact CB-CE2 3.53Å; N257-Y260 HydrophobicContact CB-CG 4.27Å; N257-Y260 WeakPolarHBondContact ND2-CE1 3.34Å; N257-Y260 VanDerWaalsContact ND2-CZ 3.28Å; N257-Y260 PolarHBondContact ND2-OH 3.07Å; N257-Y260 PolarHBondContact O-N 3.41Å; W258-Y260 VanDerWaalsContact C-N 3.25Å; W258-Y260 PolarHBondContact O-N 3.33Å; Y260-G263 PolarHBondContact O-N 3.15Å; Y260-L264 WeakPolarHBondContact O-CG 3.46Å; Y260-L264 PolarHBondContact O-N 3.41Å |
| 261 | Y | 98.2 | Very high | 97.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.4 | -45 | 171.4 | -64.1 | -82.1 | 0 | 0 | 0 | 111.6 | Q251 P255 N257 W258 G263 L264 E265 Y280 A283 V292 P293 L296 | Q251-Y261 HydrophobicContact CG-CE1 4.42Å; P255-Y261 VanDerWaalsContact O-CE2 3.25Å; P255-Y261 WeakPolarHBondContact O-CE2 3.46Å; P255-Y261 PolarHBondContact O-OH 3.33Å; N257-Y261 WeakPolarHBondContact O-CD2 3.26Å; W258-Y261 PolarHBondContact O-N 2.76Å; Y261-G263 VanDerWaalsContact C-N 3.3Å; Y261-G263 PolarHBondContact O-N 2.8Å; Y261-L264 PolarHBondContact O-N 2.94Å; Y261-E265 WeakPolarHBondContact O-CG 3.41Å; Y261-E265 PolarHBondContact O-N 2.89Å; Y261-Y280 AromaticContact CD1-CD1 3.7Å; Y261-Y280 HydrophobicContact CD1-CD1 3.7Å; Y261-Y280 AromaticContact CD1-CE1 3.43Å; Y261-Y280 HydrophobicContact CD1-CE1 3.43Å; Y261-Y280 VanDerWaalsContact CD1-CE1 3.43Å; Y261-Y280 HydrophobicContact CE1-CD1 4.05Å; Y261-Y280 HydrophobicContact CE1-CE1 4.18Å; Y261-Y280 HydrophobicContact CG-CD1 4.43Å; Y261-Y280 AromaticContact CG-CE1 3.76Å; Y261-Y280 HydrophobicContact CG-CE1 3.76Å; Y261-A283 HydrophobicContact CE1-CB 3.77Å; Y261-V292 HydrophobicContact CD2-CG1 3.94Å; Y261-V292 HydrophobicContact CE2-CG1 3.58Å; Y261-P293 HydrophobicContact CE1-CB 3.97Å; Y261-P293 WeakPolarHBondContact OH-CD 3.29Å; Y261-P293 WeakPolarHBondContact OH-CG 3.26Å; Y261-L296 HydrophobicContact CD2-CD1 3.83Å; Y261-L296 HydrophobicContact CG-CD1 3.95Å |
| 262 | K | 97.6 | Very high | 97.2 | Very high | 117 Ų | 117 | 66.4 Ų | 66.4 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 174.9 | -68.7 | 178.8 | -172.9 | 173.9 | 0 | 112 | W258 A259 E265 K266 | W258-K262 PolarHBondContact O-N 3.3Å; A259-K262 PolarHBondContact O-N 3.41Å; K262-E265 PolarHBondContact O-N 3.31Å; K262-K266 VanDerWaalsContact O-CG 3.31Å; K262-K266 WeakPolarHBondContact O-CG 3.27Å; K262-K266 PolarHBondContact O-N 3.01Å |
| 263 | G | 97.7 | Very high | 97.1 | Very high | 3 Ų | 3 | 63.9 Ų | 63.9 | 3% | 0.031 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -47.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A259 Y260 Y261 K266 A267 | A259-G263 PolarHBondContact O-N 3.47Å; Y260-G263 PolarHBondContact O-N 3.15Å; Y261-G263 VanDerWaalsContact C-N 3.3Å; Y261-G263 PolarHBondContact O-N 2.8Å; G263-K266 WeakPolarHBondContact O-CB 3.42Å; G263-K266 PolarHBondContact O-N 3.46Å; G263-A267 WeakPolarHBondContact O-CB 3.21Å; G263-A267 PolarHBondContact O-N 3.22Å |
| 264 | L | 97.9 | Very high | 96.9 | Very high | 4 Ų | 4 | 61.4 Ų | 61.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 174.4 | -74.7 | 175.3 | 0 | 0 | 0 | 112.8 | A244 R248 Y260 Y261 K266 A267 L268 I279 | A244-L264 HydrophobicContact CB-CD2 4.35Å; A244-L264 WeakPolarHBondContact O-CD2 3.43Å; R248-L264 HydrophobicContact CG-CD2 3.94Å; Y260-L264 WeakPolarHBondContact O-CG 3.46Å; Y260-L264 PolarHBondContact O-N 3.41Å; Y261-L264 PolarHBondContact O-N 2.94Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-K266 PolarHBondContact O-N 2.74Å; L264-A267 PolarHBondContact O-N 2.96Å; L264-L268 WeakPolarHBondContact O-CB 3.19Å; L264-L268 WeakPolarHBondContact O-CG 3.32Å; L264-L268 PolarHBondContact O-N 3.35Å; L264-I279 HydrophobicContact CB-CG2 4.26Å; L264-I279 HydrophobicContact CD1-CG2 4.2Å |
| 265 | E | 97.8 | Very high | 96.7 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 12% | 0.121 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 174.9 | -72.3 | 176 | 163.4 | 0 | 0 | 111.8 | Y261 K262 K269 P270 R276 I279 Y280 | Y261-E265 WeakPolarHBondContact O-CG 3.41Å; Y261-E265 PolarHBondContact O-N 2.89Å; K262-E265 PolarHBondContact O-N 3.31Å; E265-K269 WeakPolarHBondContact O-CA 3.2Å; E265-K269 PolarHBondContact O-N 3.12Å; E265-P270 WeakPolarHBondContact O-CD 3.49Å; E265-R276 IonicContact OE1-CZ 2.57Å; E265-R276 IonicContact OE1-NE 3.68Å; E265-R276 PolarHBondContact OE1-NE 3.38Å; E265-R276 IonicContact OE1-NH2 2.77Å; E265-R276 PolarHBondContact OE1-NH2 2.9Å; E265-R276 IonicContact OE2-CZ 2.97Å; E265-R276 IonicContact OE2-NE 3.91Å; E265-R276 IonicContact OE2-NH2 2.73Å; E265-R276 PolarHBondContact OE2-NH2 3.2Å; E265-I279 HydrophobicContact CG-CD1 4.15Å; E265-Y280 WeakPolarHBondContact OE1-CE2 3.47Å; E265-Y280 PolarHBondContact OE1-OH 3.06Å |
| 266 | K | 97.7 | Very high | 96.7 | Very high | 141 Ų | 141 | 65.3 Ų | 65.3 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.5 | -37.7 | 176 | -73.5 | 176 | 179.5 | -173.9 | 0 | 112.4 | L235 K262 G263 L264 K269 | L235-K266 HydrophobicContact CD1-CB 4.09Å; L235-K266 HydrophobicContact CD1-CD 4.13Å; L235-K266 HydrophobicContact CD2-CB 4.05Å; K262-K266 VanDerWaalsContact O-CG 3.31Å; K262-K266 WeakPolarHBondContact O-CG 3.27Å; K262-K266 PolarHBondContact O-N 3.01Å; G263-K266 WeakPolarHBondContact O-CB 3.42Å; G263-K266 PolarHBondContact O-N 3.46Å; L264-K266 VanDerWaalsContact C-N 3.31Å; L264-K266 PolarHBondContact O-N 2.74Å; K266-K269 VanDerWaalsContact O-CG 3.25Å; K266-K269 WeakPolarHBondContact O-CG 3.25Å |
| 267 | A | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 61.6 Ų | 61.6 | 4% | 0.041 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.2 | -49.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L235 L240 A243 A244 G263 L264 | L235-A267 HydrophobicContact CD2-CB 3.98Å; L240-A267 WeakPolarHBondContact CB-O 3.45Å; A243-A267 HydrophobicContact CB-CB 4.18Å; A244-A267 HydrophobicContact CB-CB 3.94Å; G263-A267 WeakPolarHBondContact O-CB 3.21Å; G263-A267 PolarHBondContact O-N 3.22Å; L264-A267 PolarHBondContact O-N 2.96Å |
| 268 | L | 96.9 | Very high | 96.6 | Very high | 76 Ų | 76 | 64.9 Ų | 64.9 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -81.5 | -22.1 | -174.9 | -60.8 | 178.6 | 0 | 0 | 0 | 113.7 | A244 L264 I279 | A244-L268 HydrophobicContact CB-CD2 3.8Å; A244-L268 HydrophobicContact CB-CG 4.41Å; L264-L268 WeakPolarHBondContact O-CB 3.19Å; L264-L268 WeakPolarHBondContact O-CG 3.32Å; L264-L268 PolarHBondContact O-N 3.35Å; L268-I279 HydrophobicContact CD1-CD1 3.98Å; L268-I279 HydrophobicContact CD1-CG1 4.03Å |
| 269 | K | 96.5 | Very high | 96.6 | Very high | 152 Ų | 152 | 59.6 Ų | 59.6 | 66% | 0.661 | 30% | 0.303 | S | S | * | . | trans | 47 | 59.2 | 179.2 | -59.5 | -179.6 | 69 | -176.1 | 0 | 113.1 | L240 E265 K266 A271 | L240-K269 HydrophobicContact CD1-CD 3.84Å; E265-K269 WeakPolarHBondContact O-CA 3.2Å; E265-K269 PolarHBondContact O-N 3.12Å; K266-K269 VanDerWaalsContact O-CG 3.25Å; K266-K269 WeakPolarHBondContact O-CG 3.25Å; K269-A271 PolarHBondContact O-N 2.92Å | ||
| 270 | P | 96.2 | Very high | 96.5 | Very high | 35 Ų | 35 | 57.5 Ų | 57.5 | 23% | 0.227 | 29% | 0.285 | C | S | . | . | trans | -58.7 | 132.5 | -178.8 | 26.4 | -34.4 | 0 | 0 | 0 | 111 | E265 E275 R276 I279 | E265-P270 WeakPolarHBondContact O-CD 3.49Å; P270-E275 HydrophobicContact CB-CB 3.69Å; P270-R276 HydrophobicContact CB-CB 4.04Å; P270-R276 HydrophobicContact CG-CB 3.83Å; P270-R276 HydrophobicContact CG-CG 4.16Å; P270-I279 HydrophobicContact CG-CD1 4.31Å | ||
| 271 | A | 93.1 | Very high | 96.4 | Very high | 90 Ų | 90 | 60.7 Ų | 60.7 | 74% | 0.744 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -77.7 | -31.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K269 E275 | K269-A271 PolarHBondContact O-N 2.92Å; A271-E275 PolarHBondContact N-OE2 3.07Å |
| 272 | N | 94.1 | Very high | 96.3 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -134.5 | 169.7 | -176.4 | 60 | 62.8 | 0 | 0 | 0 | 112.3 | L274 E275 R276 | N272-L274 PolarHBondContact O-N 3.41Å; N272-L274 PolarHBondContact OD1-N 2.91Å; N272-L274 VanDerWaalsContact OD1-N 3.15Å; N272-E275 VanDerWaalsContact ND2-CD 3.32Å; N272-E275 PolarHBondContact ND2-OE1 3.28Å; N272-E275 PolarHBondContact O-N 3.16Å; N272-E275 WeakPolarHBondContact OD1-CG 3.38Å; N272-E275 PolarHBondContact OD1-N 3.16Å; N272-R276 PolarHBondContact O-N 3.01Å; N272-R276 VanDerWaalsContact O-N 3.11Å |
| 273 | M | 94.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 60.4 Ų | 60.4 | 33% | 0.325 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.9 | -33.1 | -177.5 | -170.4 | -173.8 | 76.8 | 0 | 0 | 113 | L277 F300 L301 K305 | M273-L277 WeakPolarHBondContact O-CB 3.49Å; M273-L277 PolarHBondContact O-N 2.94Å; M273-F300 HydrophobicContact CG-CD2 4.01Å; M273-F300 HydrophobicContact CG-CE2 4.03Å; M273-L301 HydrophobicContact CE-CD2 3.76Å; M273-L301 HydrophobicContact CG-CD2 3.79Å; M273-L301 HydrophobicContact SD-CD2 3.65Å; M273-K305 HydrophobicContact CE-CB 4.13Å |
| 274 | L | 93.3 | Very high | 96.1 | Very high | 102 Ų | 102 | 61.9 Ų | 61.9 | 53% | 0.534 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -75.3 | -41.5 | -177.5 | -64.4 | 174.7 | 0 | 0 | 0 | 111.6 | N272 R276 L277 K278 | N272-L274 PolarHBondContact O-N 3.41Å; N272-L274 PolarHBondContact OD1-N 2.91Å; N272-L274 VanDerWaalsContact OD1-N 3.15Å; L274-R276 VanDerWaalsContact C-N 3.29Å; L274-R276 PolarHBondContact O-N 3.4Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.41Å; L274-K278 PolarHBondContact O-N 2.93Å |
| 275 | E | 94.3 | Very high | 96 | Very high | 91 Ų | 91 | 66.6 Ų | 66.6 | 43% | 0.425 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.4 | -40.4 | 172.2 | -73.4 | 169.3 | -152.9 | 0 | 0 | 111.5 | P270 A271 N272 K278 | P270-E275 HydrophobicContact CB-CB 3.69Å; A271-E275 PolarHBondContact N-OE2 3.07Å; N272-E275 VanDerWaalsContact ND2-CD 3.32Å; N272-E275 PolarHBondContact ND2-OE1 3.28Å; N272-E275 PolarHBondContact O-N 3.16Å; N272-E275 WeakPolarHBondContact OD1-CG 3.38Å; N272-E275 PolarHBondContact OD1-N 3.16Å; E275-K278 WeakPolarHBondContact O-CB 3.33Å; E275-K278 PolarHBondContact O-N 2.89Å |
| 276 | R | 97.1 | Very high | 96 | Very high | 81 Ų | 81 | 70.8 Ų | 70.8 | 31% | 0.306 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.1 | -44.9 | 174.5 | -173.3 | -178.3 | -179 | 169.3 | 8.4 | 111.4 | E265 P270 N272 L274 K278 I279 Y280 F300 | E265-R276 IonicContact OE1-CZ 2.57Å; E265-R276 IonicContact OE1-NE 3.68Å; E265-R276 PolarHBondContact OE1-NE 3.38Å; E265-R276 IonicContact OE1-NH2 2.77Å; E265-R276 PolarHBondContact OE1-NH2 2.9Å; E265-R276 IonicContact OE2-CZ 2.97Å; E265-R276 IonicContact OE2-NE 3.91Å; E265-R276 IonicContact OE2-NH2 2.73Å; E265-R276 PolarHBondContact OE2-NH2 3.2Å; P270-R276 HydrophobicContact CB-CB 4.04Å; P270-R276 HydrophobicContact CG-CB 3.83Å; P270-R276 HydrophobicContact CG-CG 4.16Å; N272-R276 PolarHBondContact O-N 3.01Å; N272-R276 VanDerWaalsContact O-N 3.11Å; L274-R276 VanDerWaalsContact C-N 3.29Å; L274-R276 PolarHBondContact O-N 3.4Å; R276-K278 VanDerWaalsContact C-N 3.28Å; R276-K278 PolarHBondContact O-N 2.81Å; R276-I279 PolarHBondContact O-N 3.14Å; R276-Y280 HydrophobicContact CG-CE2 4.37Å; R276-Y280 VanDerWaalsContact O-CD2 3.28Å; R276-Y280 WeakPolarHBondContact O-CD2 3.48Å; R276-F300 HydrophobicContact CB-CE2 4.35Å; R276-F300 HydrophobicContact CB-CZ 4.33Å; R276-F300 HydrophobicContact CG-CE1 4.06Å; R276-F300 HydrophobicContact CG-CE2 4.08Å; R276-F300 HydrophobicContact CG-CZ 3.7Å; R276-F300 VanDerWaalsContact CZ-CD1 3.49Å |
| 277 | L | 96.9 | Very high | 95.9 | Very high | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.026 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.2 | -42.3 | 176.6 | 178.9 | 58.9 | 0 | 0 | 0 | 111 | M273 L274 I279 Y280 E281 P297 L301 K305 | M273-L277 WeakPolarHBondContact O-CB 3.49Å; M273-L277 PolarHBondContact O-N 2.94Å; L274-L277 WeakPolarHBondContact O-CB 3.46Å; L274-L277 PolarHBondContact O-N 3.41Å; L277-I279 PolarHBondContact O-N 2.89Å; L277-I279 VanDerWaalsContact O-N 3.15Å; L277-Y280 CarbonylContact O-C 3.57Å; L277-Y280 WeakPolarHBondContact O-CA 3.15Å; L277-Y280 WeakPolarHBondContact O-CB 3.15Å; L277-Y280 PolarHBondContact O-N 3.31Å; L277-E281 HydrophobicContact CD1-CG 4.29Å; L277-E281 HydrophobicContact CG-CG 3.94Å; L277-E281 WeakPolarHBondContact O-CG 3.2Å; L277-E281 PolarHBondContact O-N 3.24Å; L277-P297 HydrophobicContact CD1-CB 3.84Å; L277-P297 HydrophobicContact CD1-CG 4.05Å; L277-L301 HydrophobicContact CD1-CD1 4.16Å; L277-L301 HydrophobicContact CD1-CD2 4.49Å; L277-L301 HydrophobicContact CD2-CD2 4.28Å; L277-K305 HydrophobicContact CD2-CG 4.32Å |
| 278 | K | 96.8 | Very high | 95.6 | Very high | 116 Ų | 116 | 69.2 Ų | 69.2 | 50% | 0.504 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -54 | -35.8 | -178.9 | -169.7 | 176.2 | 178.4 | -179.1 | 0 | 113.9 | L274 E275 R276 Y280 E281 E282 | L274-K278 PolarHBondContact O-N 2.93Å; E275-K278 WeakPolarHBondContact O-CB 3.33Å; E275-K278 PolarHBondContact O-N 2.89Å; R276-K278 VanDerWaalsContact C-N 3.28Å; R276-K278 PolarHBondContact O-N 2.81Å; K278-Y280 VanDerWaalsContact C-N 3.26Å; K278-Y280 PolarHBondContact O-N 3.12Å; K278-E281 PolarHBondContact O-N 3.09Å; K278-E281 VanDerWaalsContact O-N 3.07Å; K278-E282 WeakPolarHBondContact CE-OE1 3.28Å; K278-E282 WeakPolarHBondContact O-CG 3.44Å; K278-E282 PolarHBondContact O-N 2.85Å |
| 279 | I | 97.2 | Very high | 95.4 | Very high | 12 Ų | 12 | 77.5 Ų | 77.5 | 6% | 0.062 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -56.2 | -44.4 | 174.1 | -58.8 | 173.5 | 0 | 0 | 0 | 110.6 | L264 E265 L268 P270 R276 L277 A283 | L264-I279 HydrophobicContact CB-CG2 4.26Å; L264-I279 HydrophobicContact CD1-CG2 4.2Å; E265-I279 HydrophobicContact CG-CD1 4.15Å; L268-I279 HydrophobicContact CD1-CD1 3.98Å; L268-I279 HydrophobicContact CD1-CG1 4.03Å; P270-I279 HydrophobicContact CG-CD1 4.31Å; R276-I279 PolarHBondContact O-N 3.14Å; L277-I279 PolarHBondContact O-N 2.89Å; L277-I279 VanDerWaalsContact O-N 3.15Å; I279-A283 WeakPolarHBondContact O-CB 3.48Å; I279-A283 PolarHBondContact O-N 3.22Å |
| 280 | Y | 97.6 | Very high | 95.2 | Very high | 6 Ų | 6 | 70.4 Ų | 70.4 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.3 | -28.4 | 178 | -62.2 | -80.7 | 0 | 0 | 0 | 112.5 | Y261 E265 R276 L277 K278 A283 W284 P293 L296 P297 F300 | Y261-Y280 AromaticContact CD1-CD1 3.7Å; Y261-Y280 HydrophobicContact CD1-CD1 3.7Å; Y261-Y280 AromaticContact CD1-CE1 3.43Å; Y261-Y280 HydrophobicContact CD1-CE1 3.43Å; Y261-Y280 VanDerWaalsContact CD1-CE1 3.43Å; Y261-Y280 HydrophobicContact CE1-CD1 4.05Å; Y261-Y280 HydrophobicContact CE1-CE1 4.18Å; Y261-Y280 HydrophobicContact CG-CD1 4.43Å; Y261-Y280 AromaticContact CG-CE1 3.76Å; Y261-Y280 HydrophobicContact CG-CE1 3.76Å; E265-Y280 WeakPolarHBondContact OE1-CE2 3.47Å; E265-Y280 PolarHBondContact OE1-OH 3.06Å; R276-Y280 HydrophobicContact CG-CE2 4.37Å; R276-Y280 VanDerWaalsContact O-CD2 3.28Å; R276-Y280 WeakPolarHBondContact O-CD2 3.48Å; L277-Y280 CarbonylContact O-C 3.57Å; L277-Y280 WeakPolarHBondContact O-CA 3.15Å; L277-Y280 WeakPolarHBondContact O-CB 3.15Å; L277-Y280 PolarHBondContact O-N 3.31Å; K278-Y280 VanDerWaalsContact C-N 3.26Å; K278-Y280 PolarHBondContact O-N 3.12Å; Y280-A283 WeakPolarHBondContact O-CB 3.48Å; Y280-A283 PolarHBondContact O-N 3.34Å; Y280-W284 PolarHBondContact O-N 2.72Å; Y280-P293 HydrophobicContact CD1-CB 4.44Å; Y280-L296 HydrophobicContact CD1-CB 4.2Å; Y280-L296 HydrophobicContact CE1-CB 3.54Å; Y280-L296 HydrophobicContact CE1-CD1 3.76Å; Y280-L296 HydrophobicContact CE1-CG 4.3Å; Y280-P297 HydrophobicContact CD1-CG 4.04Å; Y280-P297 HydrophobicContact CD2-CG 3.93Å; Y280-P297 HydrophobicContact CG-CG 3.58Å; Y280-F300 HydrophobicContact CD2-CE1 4.18Å; Y280-F300 HydrophobicContact CD2-CZ 4.11Å; Y280-F300 AromaticContact CE2-CE1 3.61Å; Y280-F300 HydrophobicContact CE2-CE1 3.61Å; Y280-F300 AromaticContact CE2-CZ 3.93Å; Y280-F300 HydrophobicContact CE2-CZ 3.93Å |
| 281 | E | 95.9 | Very high | 95.2 | Very high | 72 Ų | 72 | 71.8 Ų | 71.8 | 34% | 0.336 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -70.3 | -41.7 | 175.9 | -58.1 | -173.4 | 135.7 | 0 | 0 | 112.3 | L277 K278 A283 W284 T285 | L277-E281 HydrophobicContact CD1-CG 4.29Å; L277-E281 HydrophobicContact CG-CG 3.94Å; L277-E281 WeakPolarHBondContact O-CG 3.2Å; L277-E281 PolarHBondContact O-N 3.24Å; K278-E281 PolarHBondContact O-N 3.09Å; K278-E281 VanDerWaalsContact O-N 3.07Å; E281-A283 VanDerWaalsContact C-N 3.25Å; E281-A283 PolarHBondContact O-N 2.89Å; E281-W284 VanDerWaalsContact CA-CD1 3.48Å; E281-W284 HydrophobicContact CB-CZ2 4.15Å; E281-W284 HydrophobicContact CG-CH2 4.31Å; E281-W284 HydrophobicContact CG-CZ2 3.53Å; E281-W284 PolarHBondContact O-N 3.49Å; E281-W284 PolarHBondContact O-NE1 3Å; E281-T285 WeakPolarHBondContact O-CB 3.35Å; E281-T285 PolarHBondContact O-N 3.08Å; E281-T285 VanDerWaalsContact O-N 3.14Å; E281-T285 PolarHBondContact O-OG1 3.06Å |
| 282 | E | 96 | Very high | 95.3 | Very high | 109 Ų | 109 | 68.2 Ų | 68.2 | 51% | 0.509 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 171.5 | -69.3 | 173.5 | -165 | 0 | 0 | 109.9 | K278 T285 K286 | K278-E282 WeakPolarHBondContact CE-OE1 3.28Å; K278-E282 WeakPolarHBondContact O-CG 3.44Å; K278-E282 PolarHBondContact O-N 2.85Å; E282-T285 PolarHBondContact O-N 2.82Å; E282-K286 WeakPolarHBondContact O-CB 3.49Å; E282-K286 PolarHBondContact O-N 2.68Å |
| 283 | A | 96.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.4 | -48.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y261 I279 Y280 E281 T285 K286 Y287 P293 | Y261-A283 HydrophobicContact CE1-CB 3.77Å; I279-A283 WeakPolarHBondContact O-CB 3.48Å; I279-A283 PolarHBondContact O-N 3.22Å; Y280-A283 WeakPolarHBondContact O-CB 3.48Å; Y280-A283 PolarHBondContact O-N 3.34Å; E281-A283 VanDerWaalsContact C-N 3.25Å; E281-A283 PolarHBondContact O-N 2.89Å; A283-T285 PolarHBondContact O-N 3.36Å; A283-K286 PolarHBondContact O-N 3.45Å; A283-Y287 WeakPolarHBondContact O-CA 3.49Å; A283-Y287 WeakPolarHBondContact O-CB 3.4Å; A283-Y287 VanDerWaalsContact O-CD2 3.24Å; A283-Y287 WeakPolarHBondContact O-CD2 3.4Å; A283-Y287 PolarHBondContact O-N 3.43Å; A283-P293 HydrophobicContact CB-CB 3.62Å; A283-P293 HydrophobicContact CB-CG 4.28Å |
| 284 | W | 94 | Very high | 95.6 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.8 | -14.3 | -178.8 | 67.9 | 25.1 | 0 | 0 | 0 | 112.7 | Y280 E281 P288 R294 | Y280-W284 PolarHBondContact O-N 2.72Å; E281-W284 VanDerWaalsContact CA-CD1 3.48Å; E281-W284 HydrophobicContact CB-CZ2 4.15Å; E281-W284 HydrophobicContact CG-CH2 4.31Å; E281-W284 HydrophobicContact CG-CZ2 3.53Å; E281-W284 PolarHBondContact O-N 3.49Å; E281-W284 PolarHBondContact O-NE1 3Å; W284-P288 VanDerWaalsContact O-CA 3.27Å; W284-P288 WeakPolarHBondContact O-CA 3.4Å; W284-R294 HydrophobicContact CB-CG 4.1Å; W284-R294 HydrophobicContact CE3-CB 4.37Å; W284-R294 HydrophobicContact CE3-CG 3.9Å |
| 285 | T | 96 | Very high | 95.8 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 63% | 0.632 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -84.7 | -44.7 | 175.3 | -56 | 0 | 0 | 0 | 0 | 109.2 | E281 E282 A283 | E281-T285 WeakPolarHBondContact O-CB 3.35Å; E281-T285 PolarHBondContact O-N 3.08Å; E281-T285 VanDerWaalsContact O-N 3.14Å; E281-T285 PolarHBondContact O-OG1 3.06Å; E282-T285 PolarHBondContact O-N 2.82Å; A283-T285 PolarHBondContact O-N 3.36Å |
| 286 | K | 96.9 | Very high | 95.9 | Very high | 113 Ų | 113 | 56 Ų | 56 | 49% | 0.491 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.3 | -35.3 | 175.5 | -168.1 | 173.4 | 178.3 | -168.8 | 0 | 112.4 | E252 E282 A283 P288 | E252-K286 IonicContact OE2-NZ 2.87Å; E252-K286 PolarHBondContact OE2-NZ 3.41Å; E282-K286 WeakPolarHBondContact O-CB 3.49Å; E282-K286 PolarHBondContact O-N 2.68Å; A283-K286 PolarHBondContact O-N 3.45Å; K286-P288 WeakPolarHBondContact O-CD 3.47Å |
| 287 | Y | 95.9 | Very high | 95.9 | Very high | 36 Ų | 36 | 52.1 Ų | 52.1 | 14% | 0.141 | 24% | 0.242 | C | C | . | . | trans | -124.1 | 74.1 | -179.8 | -45.5 | -70.3 | 0 | 0 | 0 | 110.9 | Q251 E252 P255 A283 R289 G290 | Q251-Y287 HydrophobicContact CG-CE2 3.98Å; E252-Y287 WeakPolarHBondContact CA-OH 3.45Å; E252-Y287 VanDerWaalsContact CB-OH 3.23Å; E252-Y287 WeakPolarHBondContact CB-OH 3.45Å; P255-Y287 HydrophobicContact CB-CD1 4.37Å; P255-Y287 HydrophobicContact CB-CD2 3.95Å; P255-Y287 HydrophobicContact CB-CE2 4.47Å; P255-Y287 HydrophobicContact CB-CG 3.91Å; P255-Y287 HydrophobicContact CG-CD1 3.59Å; P255-Y287 HydrophobicContact CG-CD2 3.97Å; P255-Y287 HydrophobicContact CG-CE1 3.86Å; P255-Y287 HydrophobicContact CG-CE2 4.24Å; P255-Y287 HydrophobicContact CG-CG 3.65Å; A283-Y287 WeakPolarHBondContact O-CA 3.49Å; A283-Y287 WeakPolarHBondContact O-CB 3.4Å; A283-Y287 VanDerWaalsContact O-CD2 3.24Å; A283-Y287 WeakPolarHBondContact O-CD2 3.4Å; A283-Y287 PolarHBondContact O-N 3.43Å; Y287-R289 PolarHBondContact O-N 3.13Å; Y287-R289 VanDerWaalsContact O-N 3.12Å; Y287-G290 PolarHBondContact O-N 3.21Å | ||
| 288 | P | 93.2 | Very high | 96 | Very high | 78 Ų | 78 | 51.9 Ų | 51.9 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -31.9 | -173 | -27.3 | 36 | 0 | 0 | 0 | 114.9 | W284 K286 R294 | W284-P288 VanDerWaalsContact O-CA 3.27Å; W284-P288 WeakPolarHBondContact O-CA 3.4Å; K286-P288 WeakPolarHBondContact O-CD 3.47Å; P288-R294 PolarHBondContact O-NE 3.34Å; P288-R294 PolarHBondContact O-NH2 3.07Å |
| 289 | R | 92.1 | Very high | 96 | Very high | 249 Ų | 249 | 49.5 Ų | 49.5 | 94% | 0.94 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83 | -9.8 | 178.3 | -64 | -175.4 | 176.7 | -173.2 | -0.6 | 113.6 | Y287 L291 | Y287-R289 PolarHBondContact O-N 3.13Å; Y287-R289 VanDerWaalsContact O-N 3.12Å; R289-L291 PolarHBondContact O-N 3.34Å |
| 290 | G | 92.3 | Very high | 95.9 | Very high | 4 Ų | 4 | 51 Ų | 51 | 4% | 0.041 | 24% | 0.24 | C | C | . | . | trans | -70.4 | 126.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | E256 Y287 | E256-G290 WeakPolarHBondContact OE1-CA 3.35Å; Y287-G290 PolarHBondContact O-N 3.21Å | ||
| 291 | L | 95.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 50.7 Ų | 50.7 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -88.4 | -39.1 | -173.6 | -171.6 | 65.7 | 0 | 0 | 0 | 111.2 | E256 R289 R294 R295 F313 M316 | E256-L291 PolarHBondContact OE1-N 3.05Å; E256-L291 PolarHBondContact OE2-N 3.44Å; R289-L291 PolarHBondContact O-N 3.34Å; L291-R294 PolarHBondContact O-N 3.25Å; L291-R295 WeakPolarHBondContact O-CB 3.37Å; L291-R295 PolarHBondContact O-N 3.18Å; L291-F313 HydrophobicContact CD1-CE2 3.66Å; L291-F313 HydrophobicContact CD1-CZ 4.28Å; L291-F313 HydrophobicContact CG-CE2 4.39Å; L291-M316 HydrophobicContact CD1-CE 3.79Å |
| 292 | V | 96.7 | Very high | 95.9 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -55 | -49.3 | 178.2 | 166.1 | 0 | 0 | 0 | 0 | 113.6 | E256 W258 Y261 R294 R295 L296 | E256-V292 HydrophobicContact CB-CG2 4.25Å; E256-V292 WeakPolarHBondContact O-CG2 3.33Å; E256-V292 VanDerWaalsContact OE2-CG2 3.3Å; E256-V292 WeakPolarHBondContact OE2-CG2 3.41Å; E256-V292 PolarHBondContact OE2-N 3.22Å; E256-V292 VanDerWaalsContact OE2-N 3.16Å; W258-V292 VanDerWaalsContact CD1-CG1 3.42Å; W258-V292 HydrophobicContact CG-CG1 4.45Å; Y261-V292 HydrophobicContact CD2-CG1 3.94Å; Y261-V292 HydrophobicContact CE2-CG1 3.58Å; V292-R294 PolarHBondContact O-N 2.92Å; V292-R295 PolarHBondContact O-N 3.07Å; V292-R295 VanDerWaalsContact O-N 3.1Å; V292-L296 HydrophobicContact CG1-CD1 3.46Å; V292-L296 VanDerWaalsContact CG1-CD1 3.46Å; V292-L296 HydrophobicContact CG1-CG 3.87Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 3.43Å |
| 293 | P | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.2 | -24 | 180 | 16.2 | -26 | 0 | 0 | 0 | 114 | Y261 Y280 A283 P297 | Y261-P293 HydrophobicContact CE1-CB 3.97Å; Y261-P293 WeakPolarHBondContact OH-CD 3.29Å; Y261-P293 WeakPolarHBondContact OH-CG 3.26Å; Y280-P293 HydrophobicContact CD1-CB 4.44Å; A283-P293 HydrophobicContact CB-CB 3.62Å; A283-P293 HydrophobicContact CB-CG 4.28Å; P293-P297 WeakPolarHBondContact O-CD 3.4Å; P293-P297 WeakPolarHBondContact O-CG 3.16Å |
| 294 | R | 96.3 | Very high | 95.8 | Very high | 49 Ų | 49 | 54.4 Ų | 54.4 | 19% | 0.185 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -82.5 | -33.7 | 173.2 | -57.2 | -177 | -179.9 | -78.6 | -1.5 | 112.3 | W284 P288 L291 V292 F313 | W284-R294 HydrophobicContact CB-CG 4.1Å; W284-R294 HydrophobicContact CE3-CB 4.37Å; W284-R294 HydrophobicContact CE3-CG 3.9Å; P288-R294 PolarHBondContact O-NE 3.34Å; P288-R294 PolarHBondContact O-NH2 3.07Å; L291-R294 PolarHBondContact O-N 3.25Å; V292-R294 PolarHBondContact O-N 2.92Å; R294-F313 HydrophobicContact CB-CD2 4.03Å |
| 295 | R | 97.5 | Very high | 95.9 | Very high | 16 Ų | 16 | 56.6 Ų | 56.6 | 6% | 0.06 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.4 | -41.1 | -177.1 | 174.4 | 56.4 | -170.3 | 78.9 | 1.5 | 113 | L291 V292 L298 N299 F313 T328 S331 | L291-R295 WeakPolarHBondContact O-CB 3.37Å; L291-R295 PolarHBondContact O-N 3.18Å; V292-R295 PolarHBondContact O-N 3.07Å; V292-R295 VanDerWaalsContact O-N 3.1Å; R295-L298 WeakPolarHBondContact O-CB 3.29Å; R295-L298 PolarHBondContact O-N 3.18Å; R295-N299 PolarHBondContact NH1-OD1 2.87Å; R295-N299 PolarHBondContact NH2-OD1 3.42Å; R295-F313 HydrophobicContact CB-CE2 3.92Å; R295-F313 HydrophobicContact CB-CZ 4.39Å; R295-T328 PolarHBondContact NE-O 3.05Å; R295-T328 PolarHBondContact NH2-O 3.33Å; R295-S331 PolarHBondContact NH2-OG 3.04Å |
| 296 | L | 97 | Very high | 96 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.9 | -41.5 | -173 | -76.4 | 179.7 | 0 | 0 | 0 | 114.4 | W258 Y261 Y280 V292 L298 N299 | W258-L296 HydrophobicContact CB-CD1 4.46Å; W258-L296 HydrophobicContact CD2-CD2 3.79Å; W258-L296 HydrophobicContact CE3-CD2 4.13Å; W258-L296 HydrophobicContact CG-CD1 4.24Å; W258-L296 HydrophobicContact CG-CD2 4.09Å; W258-L296 HydrophobicContact CZ2-CD2 4.36Å; Y261-L296 HydrophobicContact CD2-CD1 3.83Å; Y261-L296 HydrophobicContact CG-CD1 3.95Å; Y280-L296 HydrophobicContact CD1-CB 4.2Å; Y280-L296 HydrophobicContact CE1-CB 3.54Å; Y280-L296 HydrophobicContact CE1-CD1 3.76Å; Y280-L296 HydrophobicContact CE1-CG 4.3Å; V292-L296 HydrophobicContact CG1-CD1 3.46Å; V292-L296 VanDerWaalsContact CG1-CD1 3.46Å; V292-L296 HydrophobicContact CG1-CG 3.87Å; V292-L296 WeakPolarHBondContact O-CG 3.45Å; V292-L296 PolarHBondContact O-N 3.43Å; L296-L298 PolarHBondContact O-N 3.33Å; L296-L298 VanDerWaalsContact O-N 3.16Å; L296-N299 WeakPolarHBondContact O-CB 3.31Å; L296-N299 PolarHBondContact O-N 3.31Å; L296-N299 PolarHBondContact O-ND2 2.85Å |
| 297 | P | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -53.4 | -36.2 | 177 | -30.3 | 37.1 | 0 | 0 | 0 | 114.2 | L277 Y280 P293 N299 F300 L301 | L277-P297 HydrophobicContact CD1-CB 3.84Å; L277-P297 HydrophobicContact CD1-CG 4.05Å; Y280-P297 HydrophobicContact CD1-CG 4.04Å; Y280-P297 HydrophobicContact CD2-CG 3.93Å; Y280-P297 HydrophobicContact CG-CG 3.58Å; P293-P297 WeakPolarHBondContact O-CD 3.4Å; P293-P297 WeakPolarHBondContact O-CG 3.16Å; P297-N299 PolarHBondContact O-N 3.36Å; P297-F300 HydrophobicContact CB-CE1 4.33Å; P297-F300 HydrophobicContact CB-CZ 4.16Å; P297-F300 PolarHBondContact O-N 3.09Å; P297-L301 HydrophobicContact CB-CD1 3.73Å; P297-L301 HydrophobicContact CB-CG 4.16Å; P297-L301 VanDerWaalsContact O-CG 3.31Å; P297-L301 WeakPolarHBondContact O-CG 3.4Å; P297-L301 PolarHBondContact O-N 3.17Å |
| 298 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -59 | -21 | -179.2 | -54.1 | -178.3 | 0 | 0 | 0 | 113.4 | R295 L296 F306 C309 L310 F313 L329 L332 K338 | R295-L298 WeakPolarHBondContact O-CB 3.29Å; R295-L298 PolarHBondContact O-N 3.18Å; L296-L298 PolarHBondContact O-N 3.33Å; L296-L298 VanDerWaalsContact O-N 3.16Å; L298-F306 HydrophobicContact CB-CE2 4.14Å; L298-F306 HydrophobicContact CD2-CD2 4.3Å; L298-F306 HydrophobicContact CD2-CE2 4.25Å; L298-C309 HydrophobicContact CD2-CB 3.98Å; L298-L310 HydrophobicContact CD1-CD1 4.18Å; L298-L310 HydrophobicContact CD2-CB 4.19Å; L298-F313 HydrophobicContact CD1-CB 4.3Å; L298-F313 HydrophobicContact CD1-CD1 4.05Å; L298-F313 HydrophobicContact CD1-CG 4.03Å; L298-L329 HydrophobicContact CD1-CD2 3.63Å; L298-L332 HydrophobicContact CB-CD1 3.95Å; L298-L332 VanDerWaalsContact O-CD2 3.28Å; L298-L332 WeakPolarHBondContact O-CD2 3.25Å; L298-K338 PolarHBondContact O-NZ 3.23Å |
| 299 | N | 97.1 | Very high | 96.3 | Very high | 66 Ų | 66 | 47.3 Ų | 47.3 | 35% | 0.353 | 23% | 0.231 | S | C | . | . | G | 310 helix | trans | -69 | -38.2 | 175.8 | -67.4 | -31.8 | 0 | 0 | 0 | 112.5 | R295 L296 P297 K338 | R295-N299 PolarHBondContact NH1-OD1 2.87Å; R295-N299 PolarHBondContact NH2-OD1 3.42Å; L296-N299 WeakPolarHBondContact O-CB 3.31Å; L296-N299 PolarHBondContact O-N 3.31Å; L296-N299 PolarHBondContact O-ND2 2.85Å; P297-N299 PolarHBondContact O-N 3.36Å; N299-K338 PolarHBondContact O-NZ 2.97Å; N299-K338 VanDerWaalsContact O-NZ 3.14Å |
| 300 | F | 95.9 | Very high | 96.5 | Very high | 43 Ų | 43 | 35.5 Ų | 35.5 | 19% | 0.189 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -18.9 | -173.6 | 67.6 | -103.5 | 0 | 0 | 0 | 114.5 | M273 R276 Y280 P297 | M273-F300 HydrophobicContact CG-CD2 4.01Å; M273-F300 HydrophobicContact CG-CE2 4.03Å; R276-F300 HydrophobicContact CB-CE2 4.35Å; R276-F300 HydrophobicContact CB-CZ 4.33Å; R276-F300 HydrophobicContact CG-CE1 4.06Å; R276-F300 HydrophobicContact CG-CE2 4.08Å; R276-F300 HydrophobicContact CG-CZ 3.7Å; R276-F300 VanDerWaalsContact CZ-CD1 3.49Å; Y280-F300 HydrophobicContact CD2-CE1 4.18Å; Y280-F300 HydrophobicContact CD2-CZ 4.11Å; Y280-F300 AromaticContact CE2-CE1 3.61Å; Y280-F300 HydrophobicContact CE2-CE1 3.61Å; Y280-F300 AromaticContact CE2-CZ 3.93Å; Y280-F300 HydrophobicContact CE2-CZ 3.93Å; P297-F300 HydrophobicContact CB-CE1 4.33Å; P297-F300 HydrophobicContact CB-CZ 4.16Å; P297-F300 PolarHBondContact O-N 3.09Å |
| 301 | L | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -66.8 | 151.9 | 174.6 | -67.6 | 177.5 | 0 | 0 | 0 | 111.4 | M273 L277 P297 F306 C309 K338 | M273-L301 HydrophobicContact CE-CD2 3.76Å; M273-L301 HydrophobicContact CG-CD2 3.79Å; M273-L301 HydrophobicContact SD-CD2 3.65Å; L277-L301 HydrophobicContact CD1-CD1 4.16Å; L277-L301 HydrophobicContact CD1-CD2 4.49Å; L277-L301 HydrophobicContact CD2-CD2 4.28Å; P297-L301 HydrophobicContact CB-CD1 3.73Å; P297-L301 HydrophobicContact CB-CG 4.16Å; P297-L301 VanDerWaalsContact O-CG 3.31Å; P297-L301 WeakPolarHBondContact O-CG 3.4Å; P297-L301 PolarHBondContact O-N 3.17Å; L301-F306 HydrophobicContact CB-CB 3.94Å; L301-F306 HydrophobicContact CB-CD2 4.22Å; L301-C309 HydrophobicContact CD1-CB 3.7Å; L301-K338 WeakPolarHBondContact O-CE 3.43Å; L301-K338 PolarHBondContact O-NZ 3.06Å | ||
| 302 | S | 95.6 | Very high | 96.9 | Very high | 71 Ų | 71 | 38.8 Ų | 38.8 | 50% | 0.497 | 20% | 0.199 | S | C | . | . | trans | -142.8 | 171.9 | 172 | 61.2 | 0 | 0 | 0 | 0 | 111.4 | F306 | S302-F306 PolarHBondContact O-N 3.32Š| ||
| 303 | G | 94.9 | Very high | 96.9 | Very high | 43 Ų | 43 | 38.3 Ų | 38.3 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | 61.3 | -148.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K305 F306 K307 | G303-K305 VanDerWaalsContact C-N 3.3Å; G303-K305 PolarHBondContact O-N 2.87Å; G303-F306 WeakPolarHBondContact O-CB 3.15Å; G303-F306 PolarHBondContact O-N 2.75Å; G303-F306 VanDerWaalsContact O-N 3.15Å; G303-K307 PolarHBondContact O-N 3.06Å; G303-K307 VanDerWaalsContact O-N 3.11Å |
| 304 | E | 95.4 | Very high | 96.9 | Very high | 147 Ų | 147 | 38.3 Ų | 38.3 | 69% | 0.687 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.3 | -35.8 | -178 | -71.2 | -55.6 | 130.3 | 0 | 0 | 113.3 | F306 K307 E308 | E304-F306 VanDerWaalsContact C-N 3.28Å; E304-F306 PolarHBondContact O-N 3.34Å; E304-K307 PolarHBondContact O-N 3.19Å; E304-K307 VanDerWaalsContact O-N 3.16Å; E304-E308 PolarHBondContact O-N 2.91Å |
| 305 | K | 95.7 | Very high | 97 | Very high | 81 Ų | 81 | 38.4 Ų | 38.4 | 35% | 0.352 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -68.1 | -31.7 | 178.9 | -139.1 | 69.3 | -176.1 | 156.2 | 0 | 112.1 | M273 L277 G303 E308 C309 | M273-K305 HydrophobicContact CE-CB 4.13Å; L277-K305 HydrophobicContact CD2-CG 4.32Å; G303-K305 VanDerWaalsContact C-N 3.3Å; G303-K305 PolarHBondContact O-N 2.87Å; K305-E308 WeakPolarHBondContact CE-OE2 3.18Å; K305-E308 IonicContact NZ-OE2 2.6Å; K305-E308 PolarHBondContact NZ-OE2 3.16Å; K305-C309 WeakPolarHBondContact O-CB 3.31Å; K305-C309 PolarHBondContact O-N 3.22Å |
| 306 | F | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -66 | -48.2 | 168.8 | 171.4 | -98.5 | 0 | 0 | 0 | 111.3 | L298 L301 S302 G303 E304 E308 C309 L310 L332 K338 I341 | L298-F306 HydrophobicContact CB-CE2 4.14Å; L298-F306 HydrophobicContact CD2-CD2 4.3Å; L298-F306 HydrophobicContact CD2-CE2 4.25Å; L301-F306 HydrophobicContact CB-CB 3.94Å; L301-F306 HydrophobicContact CB-CD2 4.22Å; S302-F306 PolarHBondContact O-N 3.32Å; G303-F306 WeakPolarHBondContact O-CB 3.15Å; G303-F306 PolarHBondContact O-N 2.75Å; G303-F306 VanDerWaalsContact O-N 3.15Å; E304-F306 VanDerWaalsContact C-N 3.28Å; E304-F306 PolarHBondContact O-N 3.34Å; F306-E308 PolarHBondContact O-N 3.09Å; F306-C309 PolarHBondContact O-N 3.38Å; F306-L310 HydrophobicContact CE1-CD2 3.76Å; F306-L310 HydrophobicContact CZ-CD2 3.94Å; F306-L310 WeakPolarHBondContact O-CB 3.48Å; F306-L310 PolarHBondContact O-N 2.9Å; F306-L332 HydrophobicContact CE2-CD1 4.07Å; F306-L332 HydrophobicContact CZ-CD1 4.2Å; F306-K338 HydrophobicContact CD1-CG 4.31Å; F306-K338 HydrophobicContact CD2-CD 4.31Å; F306-K338 HydrophobicContact CE1-CB 3.94Å; F306-K338 HydrophobicContact CE1-CD 4.42Å; F306-K338 HydrophobicContact CE1-CG 3.83Å; F306-K338 HydrophobicContact CE2-CD 3.78Å; F306-K338 HydrophobicContact CE2-CG 4.1Å; F306-K338 HydrophobicContact CZ-CB 3.81Å; F306-K338 HydrophobicContact CZ-CD 3.84Å; F306-K338 HydrophobicContact CZ-CG 3.72Å; F306-I341 HydrophobicContact CD1-CD1 4.01Å; F306-I341 HydrophobicContact CD1-CG2 4.21Å; F306-I341 HydrophobicContact CE1-CB 4.28Å; F306-I341 HydrophobicContact CE1-CD1 4.39Å; F306-I341 HydrophobicContact CE1-CG2 4.15Å |
| 307 | K | 98.1 | Very high | 96.8 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 21% | 0.213 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.4 | -46 | 178.6 | -169.2 | 172.6 | -174.1 | 168.1 | 0 | 111.6 | G303 E304 L310 D311 I341 E344 | G303-K307 PolarHBondContact O-N 3.06Å; G303-K307 VanDerWaalsContact O-N 3.11Å; E304-K307 PolarHBondContact O-N 3.19Å; E304-K307 VanDerWaalsContact O-N 3.16Å; K307-L310 PolarHBondContact O-N 3.4Å; K307-D311 VanDerWaalsContact O-CB 3.3Å; K307-D311 WeakPolarHBondContact O-CB 3.36Å; K307-D311 PolarHBondContact O-N 3.22Å; K307-I341 HydrophobicContact CB-CG2 3.95Å; K307-I341 HydrophobicContact CD-CG2 4.15Å; K307-I341 HydrophobicContact CG-CG2 3.82Å; K307-E344 IonicContact NZ-OE1 3.03Å; K307-E344 PolarHBondContact NZ-OE1 2.65Å; K307-E344 IonicContact NZ-OE2 3.63Å |
| 308 | E | 97 | Very high | 96.9 | Very high | 79 Ų | 79 | 40.7 Ų | 40.7 | 37% | 0.369 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.5 | -47.7 | 177.3 | -169.6 | -158.5 | 148 | 0 | 0 | 112.5 | E304 K305 F306 D311 K312 | E304-E308 PolarHBondContact O-N 2.91Å; K305-E308 WeakPolarHBondContact CE-OE2 3.18Å; K305-E308 IonicContact NZ-OE2 2.6Å; K305-E308 PolarHBondContact NZ-OE2 3.16Å; F306-E308 PolarHBondContact O-N 3.09Å; E308-D311 PolarHBondContact O-N 2.97Å; E308-K312 PolarHBondContact O-N 3.21Å; E308-K312 IonicContact OE1-NZ 3.68Å; E308-K312 PolarHBondContact OE1-NZ 3.48Å |
| 309 | C | 97.3 | Very high | 96.8 | Very high | 7 Ų | 7 | 42.8 Ų | 42.8 | 5% | 0.047 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.5 | -38.4 | -178.7 | -169.2 | 0 | 0 | 0 | 0 | 111.6 | L298 L301 K305 F306 F313 | L298-C309 HydrophobicContact CD2-CB 3.98Å; L301-C309 HydrophobicContact CD1-CB 3.7Å; K305-C309 WeakPolarHBondContact O-CB 3.31Å; K305-C309 PolarHBondContact O-N 3.22Å; F306-C309 PolarHBondContact O-N 3.38Å; C309-F313 WeakPolarHBondContact O-CB 3.29Å; C309-F313 PolarHBondContact O-N 2.9Å |
| 310 | L | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 175.4 | 177.3 | 67.5 | 0 | 0 | 0 | 111.2 | L298 F306 K307 F313 L314 L329 I341 I342 L345 | L298-L310 HydrophobicContact CD1-CD1 4.18Å; L298-L310 HydrophobicContact CD2-CB 4.19Å; F306-L310 HydrophobicContact CE1-CD2 3.76Å; F306-L310 HydrophobicContact CZ-CD2 3.94Å; F306-L310 WeakPolarHBondContact O-CB 3.48Å; F306-L310 PolarHBondContact O-N 2.9Å; K307-L310 PolarHBondContact O-N 3.4Å; L310-F313 WeakPolarHBondContact O-CB 3.47Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-F313 VanDerWaalsContact O-N 3.15Å; L310-L314 HydrophobicContact CD1-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.9Å; L310-L314 HydrophobicContact CD2-CD1 4.3Å; L310-L314 HydrophobicContact CG-CD1 3.75Å; L310-L314 HydrophobicContact CG-CG 4.19Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.43Å; L310-L314 PolarHBondContact O-N 3.21Å; L310-L329 HydrophobicContact CD1-CD1 4.06Å; L310-I341 HydrophobicContact CD2-CG2 4.43Å; L310-I342 HydrophobicContact CD1-CG1 4.38Å; L310-I342 HydrophobicContact CD2-CB 4.41Å; L310-I342 HydrophobicContact CD2-CG1 3.46Å; L310-I342 VanDerWaalsContact CD2-CG1 3.46Å; L310-L345 HydrophobicContact CD2-CD2 4Å; L310-L345 HydrophobicContact CG-CD2 4.11Å |
| 311 | D | 98.1 | Very high | 96.7 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 20% | 0.198 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58 | -50.9 | 177.8 | 171.6 | 86.7 | 0 | 0 | 0 | 111.3 | K307 E308 F313 L314 R315 L345 Y349 | K307-D311 VanDerWaalsContact O-CB 3.3Å; K307-D311 WeakPolarHBondContact O-CB 3.36Å; K307-D311 PolarHBondContact O-N 3.22Å; E308-D311 PolarHBondContact O-N 2.97Å; D311-F313 VanDerWaalsContact C-N 3.28Å; D311-F313 PolarHBondContact O-N 3.13Å; D311-L314 PolarHBondContact O-N 2.75Å; D311-R315 VanDerWaalsContact CG-NE 3.27Å; D311-R315 WeakPolarHBondContact O-CB 3.34Å; D311-R315 VanDerWaalsContact O-CG 3.31Å; D311-R315 WeakPolarHBondContact O-CG 3.16Å; D311-R315 PolarHBondContact O-N 3.35Å; D311-R315 IonicContact OD1-CZ 3.82Å; D311-R315 IonicContact OD1-NE 3.94Å; D311-R315 PolarHBondContact OD1-NE 3.25Å; D311-R315 IonicContact OD1-NH2 2.77Å; D311-R315 VanDerWaalsContact OD2-CD 3.26Å; D311-R315 WeakPolarHBondContact OD2-CD 3.34Å; D311-R315 IonicContact OD2-NE 3.76Å; D311-R315 PolarHBondContact OD2-NE 3.33Å; D311-L345 HydrophobicContact CB-CD1 4.45Å; D311-L345 HydrophobicContact CB-CD2 4.03Å; D311-Y349 VanDerWaalsContact CA-OH 3.29Å; D311-Y349 WeakPolarHBondContact CA-OH 3.18Å; D311-Y349 VanDerWaalsContact CG-OH 3.24Å; D311-Y349 WeakPolarHBondContact OD1-CE1 3.39Å; D311-Y349 PolarHBondContact OD1-OH 3.47Å |
| 312 | K | 96 | Very high | 96.6 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -56.6 | -41.9 | 174.1 | -75.5 | 173.6 | 176.8 | 162 | 0 | 112.4 | E308 M316 | E308-K312 PolarHBondContact O-N 3.21Å; E308-K312 IonicContact OE1-NZ 3.68Å; E308-K312 PolarHBondContact OE1-NZ 3.48Å; K312-M316 WeakPolarHBondContact O-CB 3.44Å; K312-M316 PolarHBondContact O-N 3.33Å |
| 313 | F | 97.3 | Very high | 96.5 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.6 | -44.7 | 179 | 179 | -94.7 | 0 | 0 | 0 | 112.1 | L291 R294 R295 L298 C309 L310 D311 N317 V325 L329 | L291-F313 HydrophobicContact CD1-CE2 3.66Å; L291-F313 HydrophobicContact CD1-CZ 4.28Å; L291-F313 HydrophobicContact CG-CE2 4.39Å; R294-F313 HydrophobicContact CB-CD2 4.03Å; R295-F313 HydrophobicContact CB-CE2 3.92Å; R295-F313 HydrophobicContact CB-CZ 4.39Å; L298-F313 HydrophobicContact CD1-CB 4.3Å; L298-F313 HydrophobicContact CD1-CD1 4.05Å; L298-F313 HydrophobicContact CD1-CG 4.03Å; C309-F313 WeakPolarHBondContact O-CB 3.29Å; C309-F313 PolarHBondContact O-N 2.9Å; L310-F313 WeakPolarHBondContact O-CB 3.47Å; L310-F313 PolarHBondContact O-N 2.92Å; L310-F313 VanDerWaalsContact O-N 3.15Å; D311-F313 VanDerWaalsContact C-N 3.28Å; D311-F313 PolarHBondContact O-N 3.13Å; F313-N317 WeakPolarHBondContact CE1-ND2 3.47Å; F313-N317 WeakPolarHBondContact CE2-ND2 3.38Å; F313-N317 VanDerWaalsContact CZ-ND2 3.28Å; F313-N317 WeakPolarHBondContact CZ-ND2 3.49Å; F313-N317 WeakPolarHBondContact O-CB 3.34Å; F313-N317 PolarHBondContact O-N 2.94Å; F313-N317 PolarHBondContact O-ND2 3.23Å; F313-V325 HydrophobicContact CE1-CG1 4.16Å; F313-L329 HydrophobicContact CD1-CD1 4.42Å; F313-L329 HydrophobicContact CD1-CD2 4.33Å; F313-L329 HydrophobicContact CE1-CD1 4.17Å; F313-L329 HydrophobicContact CE1-CD2 3.92Å; F313-L329 HydrophobicContact CE1-CG 4.15Å |
| 314 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71 | -48.2 | -177.3 | -71.8 | 176.4 | 0 | 0 | 0 | 111.7 | L310 D311 M316 N317 F318 V325 L329 L345 V346 Y349 Y379 | L310-L314 HydrophobicContact CD1-CD1 3.84Å; L310-L314 HydrophobicContact CD1-CD2 4.45Å; L310-L314 HydrophobicContact CD1-CG 3.9Å; L310-L314 HydrophobicContact CD2-CD1 4.3Å; L310-L314 HydrophobicContact CG-CD1 3.75Å; L310-L314 HydrophobicContact CG-CG 4.19Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.43Å; L310-L314 PolarHBondContact O-N 3.21Å; D311-L314 PolarHBondContact O-N 2.75Å; L314-M316 VanDerWaalsContact C-N 3.33Å; L314-M316 PolarHBondContact O-N 2.97Å; L314-N317 PolarHBondContact O-N 2.82Å; L314-F318 HydrophobicContact CB-CD2 4Å; L314-F318 HydrophobicContact CB-CE2 3.76Å; L314-F318 HydrophobicContact CD1-CE2 4.39Å; L314-F318 HydrophobicContact CD2-CE2 3.93Å; L314-F318 HydrophobicContact CD2-CZ 3.9Å; L314-F318 HydrophobicContact CG-CE2 4.24Å; L314-F318 WeakPolarHBondContact O-CB 3.5Å; L314-F318 WeakPolarHBondContact O-CD2 3.46Å; L314-F318 WeakPolarHBondContact O-CG 3.21Å; L314-F318 PolarHBondContact O-N 3.15Å; L314-V325 HydrophobicContact CD2-CG1 3.65Å; L314-L329 HydrophobicContact CD2-CD1 3.79Å; L314-L345 HydrophobicContact CD1-CD2 4.09Å; L314-V346 HydrophobicContact CD1-CG2 3.75Å; L314-Y349 HydrophobicContact CB-CE2 3.98Å; L314-Y349 HydrophobicContact CD1-CE2 4.19Å; L314-Y379 HydrophobicContact CD2-CE2 4.25Å |
| 315 | R | 96.7 | Very high | 96.7 | Very high | 51 Ų | 51 | 40.6 Ų | 40.6 | 19% | 0.192 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -51.9 | -51.6 | 177.1 | -72.7 | 171.2 | 172.8 | -102.1 | 6.1 | 111.5 | D311 N317 F318 S319 F359 D363 | D311-R315 VanDerWaalsContact CG-NE 3.27Å; D311-R315 WeakPolarHBondContact O-CB 3.34Å; D311-R315 VanDerWaalsContact O-CG 3.31Å; D311-R315 WeakPolarHBondContact O-CG 3.16Å; D311-R315 PolarHBondContact O-N 3.35Å; D311-R315 IonicContact OD1-CZ 3.82Å; D311-R315 IonicContact OD1-NE 3.94Å; D311-R315 PolarHBondContact OD1-NE 3.25Å; D311-R315 IonicContact OD1-NH2 2.77Å; D311-R315 VanDerWaalsContact OD2-CD 3.26Å; D311-R315 WeakPolarHBondContact OD2-CD 3.34Å; D311-R315 IonicContact OD2-NE 3.76Å; D311-R315 PolarHBondContact OD2-NE 3.33Å; R315-N317 VanDerWaalsContact C-N 3.29Å; R315-N317 PolarHBondContact O-N 2.91Å; R315-F318 PolarHBondContact O-N 3.33Å; R315-S319 WeakPolarHBondContact O-CB 3.36Å; R315-S319 PolarHBondContact O-N 2.77Å; R315-S319 PolarHBondContact O-OG 3.34Å; R315-S319 VanDerWaalsContact O-OG 3.1Å; R315-F359 HydrophobicContact CB-CD2 4.42Å; R315-F359 HydrophobicContact CB-CE2 4.15Å; R315-F359 HydrophobicContact CB-CZ 4.26Å; R315-F359 HydrophobicContact CG-CB 4.46Å; R315-F359 HydrophobicContact CG-CD1 4.13Å; R315-F359 HydrophobicContact CG-CD2 4.01Å; R315-F359 HydrophobicContact CG-CE1 4.33Å; R315-F359 HydrophobicContact CG-CE2 4.19Å; R315-F359 HydrophobicContact CG-CG 3.96Å; R315-F359 HydrophobicContact CG-CZ 4.35Å; R315-F359 VanDerWaalsContact NH1-CB 3.31Å; R315-D363 IonicContact CZ-OD1 3.84Å; R315-D363 IonicContact CZ-OD2 3.12Å; R315-D363 VanDerWaalsContact NH1-CG 3.34Å; R315-D363 IonicContact NH1-OD1 2.76Å; R315-D363 PolarHBondContact NH1-OD1 2.88Å; R315-D363 IonicContact NH1-OD2 3.78Å; R315-D363 PolarHBondContact NH1-OD2 2.85Å; R315-D363 IonicContact NH2-OD1 2.9Å; R315-D363 PolarHBondContact NH2-OD1 3.38Å; R315-D363 VanDerWaalsContact NH2-OD1 3.15Å; R315-D363 IonicContact NH2-OD2 2.64Å; R315-D363 PolarHBondContact NH2-OD2 3.48Å |
| 316 | M | 95.4 | Very high | 96.9 | Very high | 67 Ų | 67 | 37.5 Ų | 37.5 | 33% | 0.33 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 177.1 | -179.7 | -169.4 | 71.3 | 0 | 0 | 112.5 | L291 K312 L314 K320 | L291-M316 HydrophobicContact CD1-CE 3.79Å; K312-M316 WeakPolarHBondContact O-CB 3.44Å; K312-M316 PolarHBondContact O-N 3.33Å; L314-M316 VanDerWaalsContact C-N 3.33Å; L314-M316 PolarHBondContact O-N 2.97Å; M316-K320 WeakPolarHBondContact O-CB 3.09Å; M316-K320 PolarHBondContact O-N 2.79Å |
| 317 | N | 96.8 | Very high | 96.8 | Very high | 7 Ų | 7 | 41.3 Ų | 41.3 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -80.5 | -30.9 | -173.7 | -78 | -54.1 | 0 | 0 | 0 | 113.5 | F313 L314 R315 G321 C322 V325 | F313-N317 WeakPolarHBondContact CE1-ND2 3.47Å; F313-N317 WeakPolarHBondContact CE2-ND2 3.38Å; F313-N317 VanDerWaalsContact CZ-ND2 3.28Å; F313-N317 WeakPolarHBondContact CZ-ND2 3.49Å; F313-N317 WeakPolarHBondContact O-CB 3.34Å; F313-N317 PolarHBondContact O-N 2.94Å; F313-N317 PolarHBondContact O-ND2 3.23Å; L314-N317 PolarHBondContact O-N 2.82Å; R315-N317 VanDerWaalsContact C-N 3.29Å; R315-N317 PolarHBondContact O-N 2.91Å; N317-G321 PolarHBondContact O-N 3.14Å; N317-C322 VanDerWaalsContact CB-SG 3.59Å; N317-C322 PolarHBondContact O-N 2.88Å; N317-C322 PolarHBondContact OD1-SG 3.11Å; N317-V325 HydrophobicContact CB-CG1 4.31Å; N317-V325 HydrophobicContact CB-CG2 3.62Å |
| 318 | F | 97.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.7 | -44.9 | 175.8 | -68.9 | -37.4 | 0 | 0 | 0 | 111.8 | L314 R315 K320 G321 V325 V346 Y349 F359 T372 W375 V376 Y379 | L314-F318 HydrophobicContact CB-CD2 4Å; L314-F318 HydrophobicContact CB-CE2 3.76Å; L314-F318 HydrophobicContact CD1-CE2 4.39Å; L314-F318 HydrophobicContact CD2-CE2 3.93Å; L314-F318 HydrophobicContact CD2-CZ 3.9Å; L314-F318 HydrophobicContact CG-CE2 4.24Å; L314-F318 WeakPolarHBondContact O-CB 3.5Å; L314-F318 WeakPolarHBondContact O-CD2 3.46Å; L314-F318 WeakPolarHBondContact O-CG 3.21Å; L314-F318 PolarHBondContact O-N 3.15Å; R315-F318 PolarHBondContact O-N 3.33Å; F318-K320 VanDerWaalsContact C-N 3.28Å; F318-K320 PolarHBondContact O-N 3.28Å; F318-G321 PolarHBondContact O-N 3.34Å; F318-V325 HydrophobicContact CE1-CG1 4.39Å; F318-V346 HydrophobicContact CE2-CG1 4.39Å; F318-V346 HydrophobicContact CE2-CG2 4.34Å; F318-V346 HydrophobicContact CZ-CG1 4.35Å; F318-Y349 HydrophobicContact CD2-CD2 4.14Å; F318-Y349 HydrophobicContact CD2-CE2 4.32Å; F318-Y349 AromaticContact CE2-CD2 3.99Å; F318-Y349 HydrophobicContact CE2-CD2 3.99Å; F318-Y349 HydrophobicContact CE2-CE2 4.15Å; F318-F359 HydrophobicContact CB-CE1 3.92Å; F318-F359 HydrophobicContact CB-CZ 3.92Å; F318-F359 HydrophobicContact CD2-CE1 4.12Å; F318-T372 HydrophobicContact CB-CG2 4.24Å; F318-W375 HydrophobicContact CD1-CB 4.03Å; F318-V376 HydrophobicContact CB-CG2 4.32Å; F318-V376 HydrophobicContact CD1-CG2 4.33Å; F318-V376 HydrophobicContact CD2-CG2 3.69Å; F318-V376 HydrophobicContact CE2-CG2 3.97Å; F318-V376 HydrophobicContact CG-CG2 3.89Å; F318-V376 HydrophobicContact CZ-CG2 4.42Å; F318-Y379 AromaticContact CE1-CD2 3.86Å; F318-Y379 HydrophobicContact CE1-CD2 3.86Å; F318-Y379 AromaticContact CE1-CG 4Å; F318-Y379 HydrophobicContact CE1-CG 4Å; F318-Y379 HydrophobicContact CZ-CD1 4.42Å; F318-Y379 AromaticContact CZ-CD2 3.76Å; F318-Y379 HydrophobicContact CZ-CD2 3.76Å; F318-Y379 HydrophobicContact CZ-CE2 4.49Å; F318-Y379 AromaticContact CZ-CG 3.73Å; F318-Y379 HydrophobicContact CZ-CG 3.73Å |
| 319 | S | 95.8 | Very high | 96.8 | Very high | 44 Ų | 44 | 37.2 Ų | 37.2 | 31% | 0.308 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.4 | -38.7 | 173.4 | -58.1 | 0 | 0 | 0 | 0 | 111.9 | R315 G321 F359 E368 | R315-S319 WeakPolarHBondContact O-CB 3.36Å; R315-S319 PolarHBondContact O-N 2.77Å; R315-S319 PolarHBondContact O-OG 3.34Å; R315-S319 VanDerWaalsContact O-OG 3.1Å; S319-G321 VanDerWaalsContact C-N 3.29Å; S319-F359 WeakPolarHBondContact OG-CE2 3.48Å; S319-F359 WeakPolarHBondContact OG-CZ 3.31Å; S319-E368 WeakPolarHBondContact CB-OE2 3.49Å; S319-E368 VanDerWaalsContact OG-CD 3.22Å; S319-E368 PolarHBondContact OG-OE1 3.05Å; S319-E368 VanDerWaalsContact OG-OE1 3.07Å; S319-E368 PolarHBondContact OG-OE2 2.96Å |
| 320 | K | 96.2 | Very high | 96.7 | Very high | 171 Ų | 171 | 43.4 Ų | 43.4 | 74% | 0.743 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -70.8 | -26.4 | 174.8 | -174.4 | 176.3 | 179 | -174.8 | 0 | 112.7 | M316 F318 | M316-K320 WeakPolarHBondContact O-CB 3.09Å; M316-K320 PolarHBondContact O-N 2.79Å; F318-K320 VanDerWaalsContact C-N 3.28Å; F318-K320 PolarHBondContact O-N 3.28Å |
| 321 | G | 96 | Very high | 96.6 | Very high | 15 Ų | 15 | 46 Ų | 46 | 16% | 0.155 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.4 | 48.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | N317 F318 S319 W375 | N317-G321 PolarHBondContact O-N 3.14Å; F318-G321 PolarHBondContact O-N 3.34Å; S319-G321 VanDerWaalsContact C-N 3.29Å; G321-W375 VanDerWaalsContact O-CE2 3.3Å; G321-W375 VanDerWaalsContact O-CZ2 3.29Å; G321-W375 WeakPolarHBondContact O-CZ2 3.36Å |
| 322 | C | 93.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 44.6 Ų | 44.6 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -87.5 | 132.2 | 177.2 | 65.5 | 0 | 0 | 0 | 0 | 111.8 | N317 P324 V325 | N317-C322 VanDerWaalsContact CB-SG 3.59Å; N317-C322 PolarHBondContact O-N 2.88Å; N317-C322 PolarHBondContact OD1-SG 3.11Å; C322-P324 VanDerWaalsContact C-CD 3.46Å; C322-V325 WeakPolarHBondContact O-CG2 3.33Å; C322-V325 WeakPolarHBondContact SG-CG2 3.45Å | ||
| 323 | P | 94.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 40.8 Ų | 40.8 | 27% | 0.273 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62 | -38 | -180 | -22.2 | 29.3 | 0 | 0 | 0 | 117 | V325 W375 Y378 E409 | P323-V325 VanDerWaalsContact C-N 3.31Å; P323-V325 PolarHBondContact O-N 3.02Å; P323-W375 HydrophobicContact CB-CH2 4.16Å; P323-W375 HydrophobicContact CB-CZ3 4.02Å; P323-W375 HydrophobicContact CG-CH2 3.7Å; P323-W375 HydrophobicContact CG-CZ3 4.07Å; P323-Y378 WeakPolarHBondContact O-CE1 3.13Å; P323-E409 HydrophobicContact CB-CG 4.18Å; P323-E409 HydrophobicContact CG-CG 4.46Å |
| 324 | P | 96.9 | Very high | 96.5 | Very high | 63 Ų | 63 | 49.5 Ų | 49.5 | 41% | 0.409 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 15.5 | -166.1 | 33.4 | -35.9 | 0 | 0 | 0 | 115.1 | C322 F326 N327 T328 | C322-P324 VanDerWaalsContact C-CD 3.46Å; P324-F326 PolarHBondContact O-N 3.3Å; P324-N327 HydrophobicContact CB-CB 4.13Å; P324-N327 CarbonylContact O-C 3.59Å; P324-N327 WeakPolarHBondContact O-CA 3.41Å; P324-N327 VanDerWaalsContact O-CB 3.25Å; P324-N327 WeakPolarHBondContact O-CB 3.25Å; P324-N327 PolarHBondContact O-N 3.38Å; P324-T328 VanDerWaalsContact O-CG2 3.29Å; P324-T328 WeakPolarHBondContact O-CG2 3.46Å; P324-T328 PolarHBondContact O-N 2.98Å |
| 325 | V | 98 | Very high | 96.4 | Very high | 6 Ų | 6 | 52.2 Ų | 52.2 | 4% | 0.036 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.2 | -53.8 | -175.8 | -171 | 0 | 0 | 0 | 0 | 111.8 | F313 L314 N317 F318 C322 P323 N327 T328 L329 Y379 | F313-V325 HydrophobicContact CE1-CG1 4.16Å; L314-V325 HydrophobicContact CD2-CG1 3.65Å; N317-V325 HydrophobicContact CB-CG1 4.31Å; N317-V325 HydrophobicContact CB-CG2 3.62Å; F318-V325 HydrophobicContact CE1-CG1 4.39Å; C322-V325 WeakPolarHBondContact O-CG2 3.33Å; C322-V325 WeakPolarHBondContact SG-CG2 3.45Å; P323-V325 VanDerWaalsContact C-N 3.31Å; P323-V325 PolarHBondContact O-N 3.02Å; V325-N327 VanDerWaalsContact C-N 3.27Å; V325-N327 PolarHBondContact O-N 2.86Å; V325-T328 PolarHBondContact O-N 3.33Å; V325-T328 PolarHBondContact O-OG1 3.02Å; V325-L329 HydrophobicContact CG1-CD1 4.32Å; V325-L329 PolarHBondContact O-N 3.33Å; V325-Y379 HydrophobicContact CB-CD2 4.05Å; V325-Y379 HydrophobicContact CB-CE2 4.24Å; V325-Y379 HydrophobicContact CG1-CD2 3.98Å; V325-Y379 HydrophobicContact CG1-CE2 3.83Å |
| 326 | F | 98.1 | Very high | 96.3 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -57.1 | -44.4 | 175.5 | 177.8 | -94.8 | 0 | 0 | 0 | 111.3 | P324 T328 L329 R330 Y333 Y379 Q382 H383 K386 | P324-F326 PolarHBondContact O-N 3.3Å; F326-T328 VanDerWaalsContact C-N 3.28Å; F326-T328 PolarHBondContact O-N 3.47Å; F326-L329 CarbonylContact O-C 3.46Å; F326-L329 PolarHBondContact O-N 2.94Å; F326-R330 HydrophobicContact CD1-CG 4Å; F326-R330 HydrophobicContact CE1-CG 3.66Å; F326-R330 HydrophobicContact CZ-CG 4.24Å; F326-R330 WeakPolarHBondContact O-CG 3.42Å; F326-R330 PolarHBondContact O-N 3.45Å; F326-Y333 HydrophobicContact CD2-CE2 4.4Å; F326-Y333 AromaticContact CE2-CE1 3.84Å; F326-Y333 HydrophobicContact CE2-CE1 3.84Å; F326-Y333 AromaticContact CE2-CE2 3.91Å; F326-Y333 HydrophobicContact CE2-CE2 3.91Å; F326-Y333 AromaticContact CE2-CZ 3.44Å; F326-Y333 VanDerWaalsContact CE2-CZ 3.44Å; F326-Y333 WeakPolarHBondContact CE2-OH 3.4Å; F326-Y333 HydrophobicContact CZ-CE1 4.45Å; F326-Y379 VanDerWaalsContact CA-CE2 3.47Å; F326-Y379 HydrophobicContact CB-CD2 3.9Å; F326-Y379 HydrophobicContact CB-CE2 3.86Å; F326-Y379 HydrophobicContact CD2-CE1 4.36Å; F326-Y379 HydrophobicContact CD2-CE2 4.29Å; F326-Q382 HydrophobicContact CB-CB 4.1Å; F326-Q382 HydrophobicContact CD1-CB 3.69Å; F326-Q382 HydrophobicContact CD1-CG 4.4Å; F326-Q382 HydrophobicContact CD2-CB 3.73Å; F326-Q382 HydrophobicContact CE1-CB 4.05Å; F326-Q382 HydrophobicContact CE2-CB 4.09Å; F326-Q382 WeakPolarHBondContact CE2-O 3.46Å; F326-Q382 HydrophobicContact CG-CB 3.54Å; F326-Q382 HydrophobicContact CG-CG 4.42Å; F326-Q382 HydrophobicContact CZ-CB 4.25Å; F326-Q382 VanDerWaalsContact CZ-O 3.31Å; F326-Q382 WeakPolarHBondContact CZ-O 3.45Å; F326-H383 HydrophobicContact CE2-CB 4.47Å; F326-K386 HydrophobicContact CE2-CB 4.23Å; F326-K386 HydrophobicContact CZ-CB 3.62Å; F326-K386 HydrophobicContact CZ-CG 3.91Å |
| 327 | N | 96.4 | Very high | 96.4 | Very high | 81 Ų | 81 | 60.6 Ų | 60.6 | 43% | 0.433 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -56.5 | -43.1 | 179.6 | -170 | -16.5 | 0 | 0 | 0 | 111.5 | P324 V325 L329 R330 | P324-N327 HydrophobicContact CB-CB 4.13Å; P324-N327 CarbonylContact O-C 3.59Å; P324-N327 WeakPolarHBondContact O-CA 3.41Å; P324-N327 VanDerWaalsContact O-CB 3.25Å; P324-N327 WeakPolarHBondContact O-CB 3.25Å; P324-N327 PolarHBondContact O-N 3.38Å; V325-N327 VanDerWaalsContact C-N 3.27Å; V325-N327 PolarHBondContact O-N 2.86Å; N327-L329 VanDerWaalsContact C-N 3.3Å; N327-L329 PolarHBondContact O-N 3Å; N327-R330 PolarHBondContact O-NE 2.95Å; N327-R330 PolarHBondContact OD1-NE 3.25Å; N327-R330 PolarHBondContact OD1-NH2 3.01Å |
| 328 | T | 96.6 | Very high | 96.5 | Very high | 42 Ų | 42 | 61 Ų | 61 | 26% | 0.258 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -34.2 | 175.8 | 75 | 0 | 0 | 0 | 0 | 112.4 | R295 P324 V325 F326 | R295-T328 PolarHBondContact NE-O 3.05Å; R295-T328 PolarHBondContact NH2-O 3.33Å; P324-T328 VanDerWaalsContact O-CG2 3.29Å; P324-T328 WeakPolarHBondContact O-CG2 3.46Å; P324-T328 PolarHBondContact O-N 2.98Å; V325-T328 PolarHBondContact O-N 3.33Å; V325-T328 PolarHBondContact O-OG1 3.02Å; F326-T328 VanDerWaalsContact C-N 3.28Å; F326-T328 PolarHBondContact O-N 3.47Å |
| 329 | L | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -91.6 | -5.2 | -174.6 | -60.8 | 177.4 | 0 | 0 | 0 | 113.9 | L298 L310 F313 L314 V325 F326 N327 S331 L332 Y333 Y379 | L298-L329 HydrophobicContact CD1-CD2 3.63Å; L310-L329 HydrophobicContact CD1-CD1 4.06Å; F313-L329 HydrophobicContact CD1-CD1 4.42Å; F313-L329 HydrophobicContact CD1-CD2 4.33Å; F313-L329 HydrophobicContact CE1-CD1 4.17Å; F313-L329 HydrophobicContact CE1-CD2 3.92Å; F313-L329 HydrophobicContact CE1-CG 4.15Å; L314-L329 HydrophobicContact CD2-CD1 3.79Å; V325-L329 HydrophobicContact CG1-CD1 4.32Å; V325-L329 PolarHBondContact O-N 3.33Å; F326-L329 CarbonylContact O-C 3.46Å; F326-L329 PolarHBondContact O-N 2.94Å; N327-L329 VanDerWaalsContact C-N 3.3Å; N327-L329 PolarHBondContact O-N 3Å; L329-S331 PolarHBondContact O-N 3.28Å; L329-L332 HydrophobicContact CB-CD1 4.37Å; L329-L332 HydrophobicContact CD2-CD1 3.68Å; L329-L332 VanDerWaalsContact O-CB 3.29Å; L329-L332 WeakPolarHBondContact O-CB 3.37Å; L329-L332 WeakPolarHBondContact O-CG 3.35Å; L329-L332 PolarHBondContact O-N 3.24Å; L329-Y333 WeakPolarHBondContact O-CD2 3.4Å; L329-Y379 HydrophobicContact CD1-CE2 4.03Å; L329-Y379 WeakPolarHBondContact CD1-OH 3.1Å |
| 330 | R | 96.3 | Very high | 96.5 | Very high | 136 Ų | 136 | 61.7 Ų | 61.7 | 51% | 0.513 | 31% | 0.314 | S | S | . | . | G | 310 helix | trans | -50.7 | -32.5 | -179.3 | -70.2 | -174.5 | -62.2 | 163.2 | 3.7 | 114.8 | F326 N327 L332 Y333 | F326-R330 HydrophobicContact CD1-CG 4Å; F326-R330 HydrophobicContact CE1-CG 3.66Å; F326-R330 HydrophobicContact CZ-CG 4.24Å; F326-R330 WeakPolarHBondContact O-CG 3.42Å; F326-R330 PolarHBondContact O-N 3.45Å; N327-R330 PolarHBondContact O-NE 2.95Å; N327-R330 PolarHBondContact OD1-NE 3.25Å; N327-R330 PolarHBondContact OD1-NH2 3.01Å; R330-L332 PolarHBondContact O-N 3.02Å; R330-Y333 PolarHBondContact O-N 3.2Å |
| 331 | S | 96.5 | Very high | 96.6 | Very high | 55 Ų | 55 | 55.2 Ų | 55.2 | 39% | 0.385 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -66.9 | -25.8 | 178.9 | 68.8 | 0 | 0 | 0 | 0 | 113 | R295 L329 Y333 K334 | R295-S331 PolarHBondContact NH2-OG 3.04Å; L329-S331 PolarHBondContact O-N 3.28Å; S331-Y333 VanDerWaalsContact C-N 3.28Å; S331-K334 WeakPolarHBondContact O-CG 3.36Å |
| 332 | L | 97.1 | Very high | 96.8 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -75 | -19.5 | 179.3 | -52.3 | -176.1 | 0 | 0 | 0 | 112 | L298 F306 L329 R330 K334 D335 K338 | L298-L332 HydrophobicContact CB-CD1 3.95Å; L298-L332 VanDerWaalsContact O-CD2 3.28Å; L298-L332 WeakPolarHBondContact O-CD2 3.25Å; F306-L332 HydrophobicContact CE2-CD1 4.07Å; F306-L332 HydrophobicContact CZ-CD1 4.2Å; L329-L332 HydrophobicContact CB-CD1 4.37Å; L329-L332 HydrophobicContact CD2-CD1 3.68Å; L329-L332 VanDerWaalsContact O-CB 3.29Å; L329-L332 WeakPolarHBondContact O-CB 3.37Å; L329-L332 WeakPolarHBondContact O-CG 3.35Å; L329-L332 PolarHBondContact O-N 3.24Å; R330-L332 PolarHBondContact O-N 3.02Å; L332-K334 PolarHBondContact O-N 3.47Å; L332-D335 PolarHBondContact O-N 3.13Å; L332-K338 HydrophobicContact CB-CD 4.47Å; L332-K338 HydrophobicContact CD2-CD 4.43Å |
| 333 | Y | 96.7 | Very high | 97 | Very high | 20 Ų | 20 | 56.4 Ų | 56.4 | 8% | 0.078 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -71.1 | -0.5 | 179.1 | -74.9 | -114.1 | 0 | 0 | 0 | 113.9 | F326 L329 R330 S331 D335 V339 I342 Y379 H383 K386 I387 | F326-Y333 HydrophobicContact CD2-CE2 4.4Å; F326-Y333 AromaticContact CE2-CE1 3.84Å; F326-Y333 HydrophobicContact CE2-CE1 3.84Å; F326-Y333 AromaticContact CE2-CE2 3.91Å; F326-Y333 HydrophobicContact CE2-CE2 3.91Å; F326-Y333 AromaticContact CE2-CZ 3.44Å; F326-Y333 VanDerWaalsContact CE2-CZ 3.44Å; F326-Y333 WeakPolarHBondContact CE2-OH 3.4Å; F326-Y333 HydrophobicContact CZ-CE1 4.45Å; L329-Y333 WeakPolarHBondContact O-CD2 3.4Å; R330-Y333 PolarHBondContact O-N 3.2Å; S331-Y333 VanDerWaalsContact C-N 3.28Å; Y333-D335 VanDerWaalsContact C-N 3.3Å; Y333-V339 HydrophobicContact CD1-CG1 4.27Å; Y333-V339 HydrophobicContact CD1-CG2 3.8Å; Y333-V339 HydrophobicContact CD2-CG2 4.45Å; Y333-V339 HydrophobicContact CE1-CG1 4.24Å; Y333-V339 HydrophobicContact CE1-CG2 4.34Å; Y333-V339 HydrophobicContact CG-CG2 3.86Å; Y333-I342 HydrophobicContact CE2-CD1 4.29Å; Y333-Y379 PolarHBondContact OH-OH 3.42Å; Y333-H383 AromaticContact CE1-ND1 3.45Å; Y333-H383 WeakPolarHBondContact CE1-ND1 3.27Å; Y333-H383 AromaticContact CZ-ND1 3.57Å; Y333-H383 PolarHBondContact OH-ND1 2.97Å; Y333-K386 HydrophobicContact CD1-CB 4.33Å; Y333-K386 HydrophobicContact CD1-CG 3.64Å; Y333-K386 HydrophobicContact CE1-CB 4.38Å; Y333-K386 HydrophobicContact CE1-CG 4.16Å; Y333-K386 HydrophobicContact CG-CG 4.23Å; Y333-I387 HydrophobicContact CD1-CD1 4.48Å |
| 334 | K | 94.8 | Very high | 97.1 | Very high | 187 Ų | 187 | 60 Ų | 60 | 81% | 0.813 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -74 | -25.7 | 167 | -61.8 | 178.6 | -176.8 | -176.8 | 0 | 111.8 | S331 L332 | S331-K334 WeakPolarHBondContact O-CG 3.36Å; L332-K334 PolarHBondContact O-N 3.47Å |
| 335 | D | 96.5 | Very high | 97.2 | Very high | 57 Ų | 57 | 58 Ų | 58 | 31% | 0.305 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -104.3 | 111.1 | -178.9 | -179.4 | -19.9 | 0 | 0 | 0 | 108.7 | L332 Y333 E337 K338 V339 | L332-D335 PolarHBondContact O-N 3.13Å; Y333-D335 VanDerWaalsContact C-N 3.3Å; D335-E337 VanDerWaalsContact C-N 3.31Å; D335-E337 PolarHBondContact O-N 3.42Å; D335-E337 WeakPolarHBondContact OD1-CB 3.37Å; D335-E337 PolarHBondContact OD1-N 2.94Å; D335-K338 HydrophobicContact CB-CB 4.24Å; D335-K338 HydrophobicContact CB-CD 4.1Å; D335-K338 HydrophobicContact CB-CG 4.19Å; D335-K338 PolarHBondContact O-N 3.4Å; D335-K338 PolarHBondContact OD1-N 3.43Å; D335-K338 WeakPolarHBondContact OD2-CD 3.36Å; D335-K338 WeakPolarHBondContact OD2-CE 3.08Å; D335-K338 WeakPolarHBondContact OD2-CG 3.11Å; D335-V339 WeakPolarHBondContact O-CG2 3.44Å; D335-V339 PolarHBondContact O-N 2.93Å |
| 336 | K | 95.2 | Very high | 97.2 | Very high | 146 Ų | 146 | 57.7 Ų | 57.7 | 64% | 0.635 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -69 | -28.9 | -174.8 | -70.6 | -66.5 | -172 | 172.7 | 0 | 112.9 | V339 A340 | K336-V339 PolarHBondContact O-N 3.26Å; K336-A340 PolarHBondContact O-N 3.23Å; K336-A340 VanDerWaalsContact O-N 3.07Å |
| 337 | E | 96.7 | Very high | 97.2 | Very high | 149 Ų | 149 | 58.8 Ų | 58.8 | 70% | 0.696 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 178 | -60.7 | 176.1 | -173.5 | 0 | 0 | 110.2 | D335 V339 A340 I341 | D335-E337 VanDerWaalsContact C-N 3.31Å; D335-E337 PolarHBondContact O-N 3.42Å; D335-E337 WeakPolarHBondContact OD1-CB 3.37Å; D335-E337 PolarHBondContact OD1-N 2.94Å; E337-V339 VanDerWaalsContact C-N 3.3Å; E337-V339 PolarHBondContact O-N 3.02Å; E337-A340 PolarHBondContact O-N 3.35Å; E337-I341 WeakPolarHBondContact O-CG1 3.31Å; E337-I341 PolarHBondContact O-N 3.47Å; E337-I341 VanDerWaalsContact O-N 3.16Å |
| 338 | K | 97.9 | Very high | 97.3 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 6% | 0.061 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.5 | -38.1 | 174.8 | -70.5 | -176.2 | -178.9 | -168.9 | 0 | 112.5 | L298 N299 L301 F306 L332 D335 I341 I342 | L298-K338 PolarHBondContact O-NZ 3.23Å; N299-K338 PolarHBondContact O-NZ 2.97Å; N299-K338 VanDerWaalsContact O-NZ 3.14Å; L301-K338 WeakPolarHBondContact O-CE 3.43Å; L301-K338 PolarHBondContact O-NZ 3.06Å; F306-K338 HydrophobicContact CD1-CG 4.31Å; F306-K338 HydrophobicContact CD2-CD 4.31Å; F306-K338 HydrophobicContact CE1-CB 3.94Å; F306-K338 HydrophobicContact CE1-CD 4.42Å; F306-K338 HydrophobicContact CE1-CG 3.83Å; F306-K338 HydrophobicContact CE2-CD 3.78Å; F306-K338 HydrophobicContact CE2-CG 4.1Å; F306-K338 HydrophobicContact CZ-CB 3.81Å; F306-K338 HydrophobicContact CZ-CD 3.84Å; F306-K338 HydrophobicContact CZ-CG 3.72Å; L332-K338 HydrophobicContact CB-CD 4.47Å; L332-K338 HydrophobicContact CD2-CD 4.43Å; D335-K338 HydrophobicContact CB-CB 4.24Å; D335-K338 HydrophobicContact CB-CD 4.1Å; D335-K338 HydrophobicContact CB-CG 4.19Å; D335-K338 PolarHBondContact O-N 3.4Å; D335-K338 PolarHBondContact OD1-N 3.43Å; D335-K338 WeakPolarHBondContact OD2-CD 3.36Å; D335-K338 WeakPolarHBondContact OD2-CE 3.08Å; D335-K338 WeakPolarHBondContact OD2-CG 3.11Å; K338-I341 PolarHBondContact O-N 2.91Å; K338-I342 WeakPolarHBondContact O-CD1 3.5Å; K338-I342 WeakPolarHBondContact O-CG1 3.28Å; K338-I342 PolarHBondContact O-N 2.84Å |
| 339 | V | 97.7 | Very high | 97.4 | Very high | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 178.2 | 176.2 | 0 | 0 | 0 | 0 | 111.1 | Y333 D335 K336 E337 I341 I342 E343 I387 | Y333-V339 HydrophobicContact CD1-CG1 4.27Å; Y333-V339 HydrophobicContact CD1-CG2 3.8Å; Y333-V339 HydrophobicContact CD2-CG2 4.45Å; Y333-V339 HydrophobicContact CE1-CG1 4.24Å; Y333-V339 HydrophobicContact CE1-CG2 4.34Å; Y333-V339 HydrophobicContact CG-CG2 3.86Å; D335-V339 WeakPolarHBondContact O-CG2 3.44Å; D335-V339 PolarHBondContact O-N 2.93Å; K336-V339 PolarHBondContact O-N 3.26Å; E337-V339 VanDerWaalsContact C-N 3.3Å; E337-V339 PolarHBondContact O-N 3.02Å; V339-I341 VanDerWaalsContact C-N 3.34Å; V339-I341 PolarHBondContact O-N 3.24Å; V339-I342 WeakPolarHBondContact O-CB 3.22Å; V339-I342 PolarHBondContact O-N 3.14Å; V339-E343 WeakPolarHBondContact O-CB 3.46Å; V339-E343 PolarHBondContact O-N 2.93Å; V339-I387 HydrophobicContact CG1-CD1 3.52Å; V339-I387 HydrophobicContact CG1-CG1 4.43Å |
| 340 | A | 97.8 | Very high | 97.4 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 47% | 0.471 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K336 E337 I342 E343 E344 | K336-A340 PolarHBondContact O-N 3.23Å; K336-A340 VanDerWaalsContact O-N 3.07Å; E337-A340 PolarHBondContact O-N 3.35Å; A340-I342 VanDerWaalsContact C-N 3.35Å; A340-I342 PolarHBondContact O-N 3.3Å; A340-E343 PolarHBondContact O-N 3.41Å; A340-E344 WeakPolarHBondContact O-CB 3.19Å; A340-E344 PolarHBondContact O-N 2.93Å |
| 341 | I | 98.3 | Very high | 97.5 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 18% | 0.179 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 175.7 | -63.4 | 167.3 | 0 | 0 | 0 | 111.3 | F306 K307 L310 E337 K338 V339 L345 | F306-I341 HydrophobicContact CD1-CD1 4.01Å; F306-I341 HydrophobicContact CD1-CG2 4.21Å; F306-I341 HydrophobicContact CE1-CB 4.28Å; F306-I341 HydrophobicContact CE1-CD1 4.39Å; F306-I341 HydrophobicContact CE1-CG2 4.15Å; K307-I341 HydrophobicContact CB-CG2 3.95Å; K307-I341 HydrophobicContact CD-CG2 4.15Å; K307-I341 HydrophobicContact CG-CG2 3.82Å; L310-I341 HydrophobicContact CD2-CG2 4.43Å; E337-I341 WeakPolarHBondContact O-CG1 3.31Å; E337-I341 PolarHBondContact O-N 3.47Å; E337-I341 VanDerWaalsContact O-N 3.16Å; K338-I341 PolarHBondContact O-N 2.91Å; V339-I341 VanDerWaalsContact C-N 3.34Å; V339-I341 PolarHBondContact O-N 3.24Å; I341-L345 WeakPolarHBondContact O-CB 3.38Å; I341-L345 PolarHBondContact O-N 3Å |
| 342 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.1 | -47.3 | 176.8 | -72.3 | 161.8 | 0 | 0 | 0 | 110.4 | L310 Y333 K338 V339 A340 L345 V346 Y379 | L310-I342 HydrophobicContact CD1-CG1 4.38Å; L310-I342 HydrophobicContact CD2-CB 4.41Å; L310-I342 HydrophobicContact CD2-CG1 3.46Å; L310-I342 VanDerWaalsContact CD2-CG1 3.46Å; Y333-I342 HydrophobicContact CE2-CD1 4.29Å; K338-I342 WeakPolarHBondContact O-CD1 3.5Å; K338-I342 WeakPolarHBondContact O-CG1 3.28Å; K338-I342 PolarHBondContact O-N 2.84Å; V339-I342 WeakPolarHBondContact O-CB 3.22Å; V339-I342 PolarHBondContact O-N 3.14Å; A340-I342 VanDerWaalsContact C-N 3.35Å; A340-I342 PolarHBondContact O-N 3.3Å; I342-L345 PolarHBondContact O-N 3.48Å; I342-V346 HydrophobicContact CG2-CG2 4.26Å; I342-V346 WeakPolarHBondContact O-CB 3.45Å; I342-V346 WeakPolarHBondContact O-CG2 3.29Å; I342-V346 PolarHBondContact O-N 3.34Å; I342-Y379 HydrophobicContact CG2-CE1 3.74Å; I342-Y379 WeakPolarHBondContact CG2-OH 3.48Å |
| 343 | E | 98.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 50.5 Ų | 50.5 | 31% | 0.308 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.9 | -53.9 | -178.5 | -169.5 | 178.9 | 133.5 | 0 | 0 | 111 | V339 A340 L345 V346 V347 H383 | V339-E343 WeakPolarHBondContact O-CB 3.46Å; V339-E343 PolarHBondContact O-N 2.93Å; A340-E343 PolarHBondContact O-N 3.41Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.14Å; E343-V346 PolarHBondContact O-N 3.16Å; E343-V347 HydrophobicContact CG-CG2 4.46Å; E343-V347 WeakPolarHBondContact O-CB 3.15Å; E343-V347 VanDerWaalsContact O-CG2 3.29Å; E343-V347 WeakPolarHBondContact O-CG2 3.34Å; E343-V347 PolarHBondContact O-N 2.98Å; E343-H383 IonicContact OE2-CE1 3.97Å; E343-H383 IonicContact OE2-NE2 3.56Å; E343-H383 PolarHBondContact OE2-NE2 3.18Å; E343-H383 VanDerWaalsContact OE2-NE2 3.12Å |
| 344 | E | 97.9 | Very high | 97.5 | Very high | 117 Ų | 117 | 55.4 Ų | 55.4 | 55% | 0.547 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -54.8 | -47.5 | 178.2 | -174.9 | -158 | 135.9 | 0 | 0 | 111.4 | K307 A340 G348 | K307-E344 IonicContact NZ-OE1 3.03Å; K307-E344 PolarHBondContact NZ-OE1 2.65Å; K307-E344 IonicContact NZ-OE2 3.63Å; A340-E344 WeakPolarHBondContact O-CB 3.19Å; A340-E344 PolarHBondContact O-N 2.93Å; E344-G348 PolarHBondContact O-N 3.33Å |
| 345 | L | 98.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.11 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66 | -45.2 | -176.8 | -176.3 | 63.3 | 0 | 0 | 0 | 112.2 | L310 D311 L314 I341 I342 E343 G348 Y349 | L310-L345 HydrophobicContact CD2-CD2 4Å; L310-L345 HydrophobicContact CG-CD2 4.11Å; D311-L345 HydrophobicContact CB-CD1 4.45Å; D311-L345 HydrophobicContact CB-CD2 4.03Å; L314-L345 HydrophobicContact CD1-CD2 4.09Å; I341-L345 WeakPolarHBondContact O-CB 3.38Å; I341-L345 PolarHBondContact O-N 3Å; I342-L345 PolarHBondContact O-N 3.48Å; E343-L345 VanDerWaalsContact C-N 3.31Å; E343-L345 PolarHBondContact O-N 3.14Å; L345-G348 PolarHBondContact O-N 3.09Å; L345-Y349 HydrophobicContact CD1-CE1 3.78Å; L345-Y349 HydrophobicContact CG-CE1 4.1Å; L345-Y349 HydrophobicContact CG-CE2 4.01Å; L345-Y349 WeakPolarHBondContact CG-OH 3.47Å; L345-Y349 WeakPolarHBondContact O-CD1 3.46Å; L345-Y349 PolarHBondContact O-N 3.48Å |
| 346 | V | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -76.3 | -35.8 | -175.5 | -178.5 | 0 | 0 | 0 | 0 | 111.7 | L314 F318 I342 E343 G348 Y349 E350 V376 Y379 L380 | L314-V346 HydrophobicContact CD1-CG2 3.75Å; F318-V346 HydrophobicContact CE2-CG1 4.39Å; F318-V346 HydrophobicContact CE2-CG2 4.34Å; F318-V346 HydrophobicContact CZ-CG1 4.35Å; I342-V346 HydrophobicContact CG2-CG2 4.26Å; I342-V346 WeakPolarHBondContact O-CB 3.45Å; I342-V346 WeakPolarHBondContact O-CG2 3.29Å; I342-V346 PolarHBondContact O-N 3.34Å; E343-V346 PolarHBondContact O-N 3.16Å; V346-G348 VanDerWaalsContact C-N 3.29Å; V346-Y349 HydrophobicContact CG2-CD2 4.47Å; V346-Y349 WeakPolarHBondContact O-CB 3.27Å; V346-Y349 PolarHBondContact O-N 2.77Å; V346-E350 PolarHBondContact O-N 3.13Å; V346-V376 HydrophobicContact CG1-CG1 3.84Å; V346-Y379 HydrophobicContact CG1-CD1 4.08Å; V346-Y379 HydrophobicContact CG2-CD1 4.3Å; V346-Y379 HydrophobicContact CG2-CE1 4.25Å; V346-L380 HydrophobicContact CB-CD2 4.05Å; V346-L380 HydrophobicContact CG1-CD1 4.11Å; V346-L380 HydrophobicContact CG1-CD2 3.67Å; V346-L380 HydrophobicContact CG1-CG 3.66Å |
| 347 | V | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 50.2 Ų | 50.2 | 24% | 0.242 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.8 | -37.5 | 169.5 | 173.9 | 0 | 0 | 0 | 0 | 110.4 | E343 Y349 E350 T351 L380 | E343-V347 HydrophobicContact CG-CG2 4.46Å; E343-V347 WeakPolarHBondContact O-CB 3.15Å; E343-V347 VanDerWaalsContact O-CG2 3.29Å; E343-V347 WeakPolarHBondContact O-CG2 3.34Å; E343-V347 PolarHBondContact O-N 2.98Å; V347-Y349 VanDerWaalsContact C-N 3.32Å; V347-Y349 PolarHBondContact O-N 3.49Å; V347-E350 PolarHBondContact O-N 3.37Å; V347-T351 HydrophobicContact CG1-CG2 4.48Å; V347-T351 WeakPolarHBondContact O-CG2 3.42Å; V347-T351 PolarHBondContact O-N 3.28Å; V347-T351 PolarHBondContact O-OG1 2.86Å; V347-L380 HydrophobicContact CG2-CD1 4.43Å; V347-L380 HydrophobicContact CG2-CD2 3.9Å |
| 348 | G | 98.1 | Very high | 97.3 | Very high | 32 Ų | 32 | 44.3 Ų | 44.3 | 33% | 0.33 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -56.2 | -44.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | E344 L345 V346 T351 S352 | E344-G348 PolarHBondContact O-N 3.33Å; L345-G348 PolarHBondContact O-N 3.09Å; V346-G348 VanDerWaalsContact C-N 3.29Å; G348-T351 PolarHBondContact O-OG1 3.1Å; G348-S352 WeakPolarHBondContact O-CB 3.36Å; G348-S352 PolarHBondContact O-N 2.95Å; G348-S352 VanDerWaalsContact O-N 3.13Å |
| 349 | Y | 98.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.3 | -59.7 | -26.5 | 0 | 0 | 0 | 112.5 | D311 L314 F318 L345 V346 V347 T351 S352 L353 F359 | D311-Y349 VanDerWaalsContact CA-OH 3.29Å; D311-Y349 WeakPolarHBondContact CA-OH 3.18Å; D311-Y349 VanDerWaalsContact CG-OH 3.24Å; D311-Y349 WeakPolarHBondContact OD1-CE1 3.39Å; D311-Y349 PolarHBondContact OD1-OH 3.47Å; L314-Y349 HydrophobicContact CB-CE2 3.98Å; L314-Y349 HydrophobicContact CD1-CE2 4.19Å; F318-Y349 HydrophobicContact CD2-CD2 4.14Å; F318-Y349 HydrophobicContact CD2-CE2 4.32Å; F318-Y349 AromaticContact CE2-CD2 3.99Å; F318-Y349 HydrophobicContact CE2-CD2 3.99Å; F318-Y349 HydrophobicContact CE2-CE2 4.15Å; L345-Y349 HydrophobicContact CD1-CE1 3.78Å; L345-Y349 HydrophobicContact CG-CE1 4.1Å; L345-Y349 HydrophobicContact CG-CE2 4.01Å; L345-Y349 WeakPolarHBondContact CG-OH 3.47Å; L345-Y349 WeakPolarHBondContact O-CD1 3.46Å; L345-Y349 PolarHBondContact O-N 3.48Å; V346-Y349 HydrophobicContact CG2-CD2 4.47Å; V346-Y349 WeakPolarHBondContact O-CB 3.27Å; V346-Y349 PolarHBondContact O-N 2.77Å; V347-Y349 VanDerWaalsContact C-N 3.32Å; V347-Y349 PolarHBondContact O-N 3.49Å; Y349-T351 PolarHBondContact O-N 3.45Å; Y349-S352 PolarHBondContact O-N 3.3Å; Y349-L353 WeakPolarHBondContact O-CB 3.31Å; Y349-L353 WeakPolarHBondContact O-CD1 3.43Å; Y349-L353 WeakPolarHBondContact O-CG 3.41Å; Y349-L353 PolarHBondContact O-N 2.96Å; Y349-F359 HydrophobicContact CD1-CB 3.95Å; Y349-F359 AromaticContact CD1-CD1 3.83Å; Y349-F359 HydrophobicContact CD1-CD1 3.83Å; Y349-F359 HydrophobicContact CD1-CG 4.37Å; Y349-F359 WeakPolarHBondContact CD1-O 3.33Å; Y349-F359 HydrophobicContact CD2-CD1 4.01Å; Y349-F359 HydrophobicContact CD2-CE1 4.39Å; Y349-F359 HydrophobicContact CE1-CB 4.23Å; Y349-F359 HydrophobicContact CE1-CD1 4.24Å; Y349-F359 HydrophobicContact CE2-CD1 4.41Å; Y349-F359 AromaticContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CE1 4.47Å |
| 350 | E | 98.1 | Very high | 97 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.051 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | -178.8 | -167.6 | -157.1 | -179.1 | 0 | 0 | 111.8 | V346 V347 L353 K354 L373 V376 Q377 L380 Y396 | V346-E350 PolarHBondContact O-N 3.13Å; V347-E350 PolarHBondContact O-N 3.37Å; E350-L353 PolarHBondContact O-N 3.23Å; E350-K354 HydrophobicContact CG-CD 4.26Å; E350-K354 WeakPolarHBondContact O-CB 3.13Å; E350-K354 WeakPolarHBondContact O-CG 3.42Å; E350-K354 PolarHBondContact O-N 2.89Å; E350-K354 WeakPolarHBondContact OE1-CE 3.43Å; E350-K354 IonicContact OE1-NZ 2.77Å; E350-K354 PolarHBondContact OE1-NZ 3.35Å; E350-L373 HydrophobicContact CG-CD1 3.77Å; E350-V376 HydrophobicContact CB-CG1 3.87Å; E350-V376 HydrophobicContact CG-CG1 4.43Å; E350-Q377 HydrophobicContact CG-CG 4.38Å; E350-L380 HydrophobicContact CB-CD1 4.13Å; E350-L380 HydrophobicContact CG-CD1 4.44Å; E350-Y396 VanDerWaalsContact CD-CE1 3.41Å; E350-Y396 VanDerWaalsContact OE1-CE1 3.31Å; E350-Y396 WeakPolarHBondContact OE1-CE1 3.47Å; E350-Y396 WeakPolarHBondContact OE2-CE1 3.47Å; E350-Y396 PolarHBondContact OE2-OH 2.74Å |
| 351 | T | 97.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 51% | 0.509 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | -179.9 | 55 | 0 | 0 | 0 | 0 | 111.4 | V347 G348 Y349 K354 S355 | V347-T351 HydrophobicContact CG1-CG2 4.48Å; V347-T351 WeakPolarHBondContact O-CG2 3.42Å; V347-T351 PolarHBondContact O-N 3.28Å; V347-T351 PolarHBondContact O-OG1 2.86Å; G348-T351 PolarHBondContact O-OG1 3.1Å; Y349-T351 PolarHBondContact O-N 3.45Å; T351-K354 PolarHBondContact O-N 3.19Å; T351-S355 PolarHBondContact O-N 2.99Å; T351-S355 VanDerWaalsContact O-N 3.14Å; T351-S355 PolarHBondContact O-OG 3.29Å |
| 352 | S | 97.6 | Very high | 96.6 | Very high | 6 Ų | 6 | 53.1 Ų | 53.1 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.8 | -46 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 112.7 | G348 Y349 K354 S355 C356 L358 F359 N360 P361 | G348-S352 WeakPolarHBondContact O-CB 3.36Å; G348-S352 PolarHBondContact O-N 2.95Å; G348-S352 VanDerWaalsContact O-N 3.13Å; Y349-S352 PolarHBondContact O-N 3.3Å; S352-K354 VanDerWaalsContact C-N 3.3Å; S352-K354 PolarHBondContact O-N 3.18Å; S352-S355 PolarHBondContact O-N 3.31Å; S352-S355 VanDerWaalsContact O-N 3.09Å; S352-S355 PolarHBondContact O-OG 2.89Å; S352-C356 PolarHBondContact O-N 3.34Å; S352-C356 PolarHBondContact O-SG 3.39Å; S352-C356 VanDerWaalsContact O-SG 3.32Å; S352-L358 CarbonylContact C-O 3.58Å; S352-L358 VanDerWaalsContact C-O 3.25Å; S352-L358 VanDerWaalsContact CB-O 3.25Å; S352-L358 WeakPolarHBondContact CB-O 3.22Å; S352-L358 PolarHBondContact OG-O 3.47Å; S352-F359 VanDerWaalsContact CB-O 3.32Å; S352-F359 WeakPolarHBondContact CB-O 3.4Å; S352-F359 PolarHBondContact OG-O 3.16Å; S352-N360 WeakPolarHBondContact OG-CA 3.36Å; S352-N360 PolarHBondContact OG-N 3.06Å; S352-P361 WeakPolarHBondContact OG-CD 3.47Å |
| 353 | L | 96.9 | Very high | 96.3 | Very high | 9 Ų | 9 | 55.1 Ų | 55.1 | 5% | 0.047 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | -180 | -74.3 | 165.9 | 0 | 0 | 0 | 111.7 | Y349 E350 R357 L358 F359 E368 T372 L373 V376 | Y349-L353 WeakPolarHBondContact O-CB 3.31Å; Y349-L353 WeakPolarHBondContact O-CD1 3.43Å; Y349-L353 WeakPolarHBondContact O-CG 3.41Å; Y349-L353 PolarHBondContact O-N 2.96Å; E350-L353 PolarHBondContact O-N 3.23Å; L353-R357 WeakPolarHBondContact O-CA 3.42Å; L353-R357 PolarHBondContact O-N 3.18Å; L353-R357 VanDerWaalsContact O-N 3.08Å; L353-L358 PolarHBondContact N-O 3.42Å; L353-F359 HydrophobicContact CD1-CD1 4.26Å; L353-F359 HydrophobicContact CD1-CE1 4.36Å; L353-E368 HydrophobicContact CD2-CB 3.9Å; L353-E368 HydrophobicContact CD2-CG 4.2Å; L353-T372 HydrophobicContact CD1-CG2 4Å; L353-T372 HydrophobicContact CD2-CG2 4.18Å; L353-L373 HydrophobicContact CB-CB 4.31Å; L353-L373 HydrophobicContact CB-CD1 4.04Å; L353-L373 HydrophobicContact CD1-CB 4.49Å; L353-V376 HydrophobicContact CD1-CG2 3.89Å |
| 354 | K | 95.6 | Very high | 95.9 | Very high | 123 Ų | 123 | 60.1 Ų | 60.1 | 54% | 0.535 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.4 | -37.6 | 172.3 | -78 | 174.5 | 169.3 | 175.2 | 0 | 112.3 | E350 T351 S352 L373 | E350-K354 HydrophobicContact CG-CD 4.26Å; E350-K354 WeakPolarHBondContact O-CB 3.13Å; E350-K354 WeakPolarHBondContact O-CG 3.42Å; E350-K354 PolarHBondContact O-N 2.89Å; E350-K354 WeakPolarHBondContact OE1-CE 3.43Å; E350-K354 IonicContact OE1-NZ 2.77Å; E350-K354 PolarHBondContact OE1-NZ 3.35Å; T351-K354 PolarHBondContact O-N 3.19Å; S352-K354 VanDerWaalsContact C-N 3.3Å; S352-K354 PolarHBondContact O-N 3.18Å; K354-L373 HydrophobicContact CG-CD1 4.18Å; K354-L373 HydrophobicContact CG-CD2 3.87Å |
| 355 | S | 95.8 | Very high | 95.4 | Very high | 90 Ų | 90 | 56.9 Ų | 56.9 | 63% | 0.629 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -80.9 | -42.7 | -177 | 60.8 | 0 | 0 | 0 | 0 | 114.5 | T351 S352 | T351-S355 PolarHBondContact O-N 2.99Å; T351-S355 VanDerWaalsContact O-N 3.14Å; T351-S355 PolarHBondContact O-OG 3.29Å; S352-S355 PolarHBondContact O-N 3.31Å; S352-S355 VanDerWaalsContact O-N 3.09Å; S352-S355 PolarHBondContact O-OG 2.89Å |
| 356 | C | 93.1 | Very high | 95 | Very high | 43 Ų | 43 | 65 Ų | 65 | 29% | 0.291 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -144 | 10.9 | -168.8 | 60.3 | 0 | 0 | 0 | 0 | 114.3 | S352 L358 | S352-C356 PolarHBondContact O-N 3.34Å; S352-C356 PolarHBondContact O-SG 3.39Å; S352-C356 VanDerWaalsContact O-SG 3.32Å; C356-L358 PolarHBondContact O-N 3.09Å; C356-L358 VanDerWaalsContact O-N 3.16Å |
| 357 | R | 95.3 | Very high | 94.8 | Very high | 149 Ų | 149 | 70.9 Ų | 70.9 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | S | Bend | trans | 56 | 29.4 | 179.7 | -56.3 | 173.7 | 179.4 | -177.3 | -1 | 113.9 | L353 E367 E368 | L353-R357 WeakPolarHBondContact O-CA 3.42Å; L353-R357 PolarHBondContact O-N 3.18Å; L353-R357 VanDerWaalsContact O-N 3.08Å; R357-E367 HydrophobicContact CB-CB 3.98Å; R357-E367 HydrophobicContact CB-CG 4.18Å; R357-E367 WeakPolarHBondContact CD-OE2 3.37Å; R357-E367 IonicContact NH1-OE2 2.69Å; R357-E367 CarbonylContact O-C 3.52Å; R357-E367 WeakPolarHBondContact O-CA 3.46Å; R357-E368 WeakPolarHBondContact O-CB 3.32Å; R357-E368 PolarHBondContact O-N 3.36Å |
| 358 | L | 95.3 | Very high | 94.7 | Very high | 25 Ų | 25 | 71.1 Ų | 71.1 | 13% | 0.131 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -120.9 | 153.2 | 170.9 | -64.9 | 170.5 | 0 | 0 | 0 | 109.1 | S352 L353 C356 N360 D363 | S352-L358 CarbonylContact C-O 3.58Å; S352-L358 VanDerWaalsContact C-O 3.25Å; S352-L358 VanDerWaalsContact CB-O 3.25Å; S352-L358 WeakPolarHBondContact CB-O 3.22Å; S352-L358 PolarHBondContact OG-O 3.47Å; L353-L358 PolarHBondContact N-O 3.42Å; C356-L358 PolarHBondContact O-N 3.09Å; C356-L358 VanDerWaalsContact O-N 3.16Å; L358-N360 VanDerWaalsContact C-N 3.29Å; L358-N360 WeakPolarHBondContact CB-O 3.48Å; L358-D363 HydrophobicContact CB-CB 4.48Å; L358-D363 HydrophobicContact CD2-CB 4.43Å |
| 359 | F | 95.3 | Very high | 94.6 | Very high | 7 Ų | 7 | 72.5 Ų | 72.5 | 3% | 0.031 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -66.8 | -34.1 | 174.8 | -75.3 | -78.4 | 0 | 0 | 0 | 111.9 | R315 F318 S319 Y349 S352 L353 D363 E368 T372 | R315-F359 HydrophobicContact CB-CD2 4.42Å; R315-F359 HydrophobicContact CB-CE2 4.15Å; R315-F359 HydrophobicContact CB-CZ 4.26Å; R315-F359 HydrophobicContact CG-CB 4.46Å; R315-F359 HydrophobicContact CG-CD1 4.13Å; R315-F359 HydrophobicContact CG-CD2 4.01Å; R315-F359 HydrophobicContact CG-CE1 4.33Å; R315-F359 HydrophobicContact CG-CE2 4.19Å; R315-F359 HydrophobicContact CG-CG 3.96Å; R315-F359 HydrophobicContact CG-CZ 4.35Å; R315-F359 VanDerWaalsContact NH1-CB 3.31Å; F318-F359 HydrophobicContact CB-CE1 3.92Å; F318-F359 HydrophobicContact CB-CZ 3.92Å; F318-F359 HydrophobicContact CD2-CE1 4.12Å; S319-F359 WeakPolarHBondContact OG-CE2 3.48Å; S319-F359 WeakPolarHBondContact OG-CZ 3.31Å; Y349-F359 HydrophobicContact CD1-CB 3.95Å; Y349-F359 AromaticContact CD1-CD1 3.83Å; Y349-F359 HydrophobicContact CD1-CD1 3.83Å; Y349-F359 HydrophobicContact CD1-CG 4.37Å; Y349-F359 WeakPolarHBondContact CD1-O 3.33Å; Y349-F359 HydrophobicContact CD2-CD1 4.01Å; Y349-F359 HydrophobicContact CD2-CE1 4.39Å; Y349-F359 HydrophobicContact CE1-CB 4.23Å; Y349-F359 HydrophobicContact CE1-CD1 4.24Å; Y349-F359 HydrophobicContact CE2-CD1 4.41Å; Y349-F359 AromaticContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CD1 3.7Å; Y349-F359 HydrophobicContact CG-CE1 4.47Å; S352-F359 VanDerWaalsContact CB-O 3.32Å; S352-F359 WeakPolarHBondContact CB-O 3.4Å; S352-F359 PolarHBondContact OG-O 3.16Å; L353-F359 HydrophobicContact CD1-CD1 4.26Å; L353-F359 HydrophobicContact CD1-CE1 4.36Å; F359-D363 PolarHBondContact N-OD2 3.36Å; F359-E368 HydrophobicContact CD2-CG 4Å; F359-E368 HydrophobicContact CE2-CG 3.81Å; F359-T372 HydrophobicContact CE1-CG2 3.65Å; F359-T372 HydrophobicContact CE2-CG2 3.98Å; F359-T372 HydrophobicContact CZ-CG2 3.28Å |
| 360 | N | 94.5 | Very high | 94.4 | Very high | 62 Ų | 62 | 77.5 Ų | 77.5 | 33% | 0.332 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -135.4 | 139.5 | 170.4 | -177 | -33.4 | 0 | 0 | 0 | 108.5 | S352 L358 N362 D363 | S352-N360 WeakPolarHBondContact OG-CA 3.36Å; S352-N360 PolarHBondContact OG-N 3.06Å; L358-N360 VanDerWaalsContact C-N 3.29Å; L358-N360 WeakPolarHBondContact CB-O 3.48Å; N360-N362 PolarHBondContact O-N 3.38Å; N360-N362 PolarHBondContact OD1-N 3.28Å; N360-D363 PolarHBondContact N-OD2 2.94Å; N360-D363 WeakPolarHBondContact O-CB 3.36Å; N360-D363 VanDerWaalsContact O-CG 3.28Å; N360-D363 PolarHBondContact O-N 3.08Å |
| 361 | P | 93.2 | Very high | 94.3 | Very high | 82 Ų | 82 | 80.2 Ų | 80.2 | 53% | 0.532 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -18.4 | 178.9 | -26 | 37.1 | 0 | 0 | 0 | 114.6 | S352 | S352-P361 WeakPolarHBondContact OG-CD 3.47Š|
| 362 | N | 93.7 | Very high | 94.3 | Very high | 145 Ų | 145 | 76.2 Ų | 76.2 | 78% | 0.775 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.2 | 178.3 | -58.5 | -29.5 | 0 | 0 | 0 | 113.8 | N360 | N360-N362 PolarHBondContact O-N 3.38Å; N360-N362 PolarHBondContact OD1-N 3.28Å |
| 363 | D | 92.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 77.7 Ų | 77.7 | 23% | 0.225 | 42% | 0.421 | C | S | . | . | trans | -67.3 | 136.8 | 178.6 | -67.1 | -21.8 | 0 | 0 | 0 | 110.3 | R315 L358 F359 N360 G365 | R315-D363 IonicContact CZ-OD1 3.84Å; R315-D363 IonicContact CZ-OD2 3.12Å; R315-D363 VanDerWaalsContact NH1-CG 3.34Å; R315-D363 IonicContact NH1-OD1 2.76Å; R315-D363 PolarHBondContact NH1-OD1 2.88Å; R315-D363 IonicContact NH1-OD2 3.78Å; R315-D363 PolarHBondContact NH1-OD2 2.85Å; R315-D363 IonicContact NH2-OD1 2.9Å; R315-D363 PolarHBondContact NH2-OD1 3.38Å; R315-D363 VanDerWaalsContact NH2-OD1 3.15Å; R315-D363 IonicContact NH2-OD2 2.64Å; R315-D363 PolarHBondContact NH2-OD2 3.48Å; L358-D363 HydrophobicContact CB-CB 4.48Å; L358-D363 HydrophobicContact CD2-CB 4.43Å; F359-D363 PolarHBondContact N-OD2 3.36Å; N360-D363 PolarHBondContact N-OD2 2.94Å; N360-D363 WeakPolarHBondContact O-CB 3.36Å; N360-D363 VanDerWaalsContact O-CG 3.28Å; N360-D363 PolarHBondContact O-N 3.08Å; D363-G365 VanDerWaalsContact C-N 3.34Å | ||
| 364 | D | 89.8 | Confident | 94.3 | Very high | 171 Ų | 171 | 77.8 Ų | 77.8 | 91% | 0.914 | 42% | 0.421 | S | S | * | . | trans | -89.5 | -1.1 | 179 | 61.4 | -22.1 | 0 | 0 | 0 | 113.3 | ||||
| 365 | G | 87.1 | Confident | 94.5 | Very high | 48 Ų | 48 | 73.2 Ų | 73.2 | 50% | 0.495 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -75.4 | 177.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | D363 | D363-G365 VanDerWaalsContact C-N 3.34Š|
| 366 | K | 90.4 | Very high | 94.6 | Very high | 193 Ų | 193 | 68.9 Ų | 68.9 | 84% | 0.839 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -73.3 | 152.3 | 170.8 | -64.3 | -177.7 | 179.7 | 178.5 | 0 | 110 | E368 | K366-E368 PolarHBondContact O-N 3.13Š|
| 367 | E | 94.5 | Very high | 94.8 | Very high | 123 Ų | 123 | 67.2 Ų | 67.2 | 58% | 0.575 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 136.4 | 170.5 | -67.8 | -178.7 | -170.3 | 0 | 0 | 111.3 | R357 | R357-E367 HydrophobicContact CB-CB 3.98Å; R357-E367 HydrophobicContact CB-CG 4.18Å; R357-E367 WeakPolarHBondContact CD-OE2 3.37Å; R357-E367 IonicContact NH1-OE2 2.69Å; R357-E367 CarbonylContact O-C 3.52Å; R357-E367 WeakPolarHBondContact O-CA 3.46Å |
| 368 | E | 96.3 | Very high | 95 | Very high | 44 Ų | 44 | 60.9 Ų | 60.9 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 147.2 | 175 | -71.8 | -72.4 | 149.1 | 0 | 0 | 111 | S319 L353 R357 F359 K366 T372 | S319-E368 WeakPolarHBondContact CB-OE2 3.49Å; S319-E368 VanDerWaalsContact OG-CD 3.22Å; S319-E368 PolarHBondContact OG-OE1 3.05Å; S319-E368 VanDerWaalsContact OG-OE1 3.07Å; S319-E368 PolarHBondContact OG-OE2 2.96Å; L353-E368 HydrophobicContact CD2-CB 3.9Å; L353-E368 HydrophobicContact CD2-CG 4.2Å; R357-E368 WeakPolarHBondContact O-CB 3.32Å; R357-E368 PolarHBondContact O-N 3.36Å; F359-E368 HydrophobicContact CD2-CG 4Å; F359-E368 HydrophobicContact CE2-CG 3.81Å; K366-E368 PolarHBondContact O-N 3.13Å; E368-T372 HydrophobicContact CB-CG2 4.13Å; E368-T372 HydrophobicContact CG-CG2 4.14Å; E368-T372 PolarHBondContact OE2-OG1 3.05Å |
| 369 | P | 95.7 | Very high | 95.2 | Very high | 62 Ų | 62 | 59.9 Ų | 59.9 | 40% | 0.403 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 158.2 | 173.3 | 29.2 | -35.3 | 0 | 0 | 0 | 111.4 | T371 T372 | P369-T371 WeakPolarHBondContact CG-OG1 3.33Å; P369-T371 PolarHBondContact O-N 3.46Å; P369-T372 WeakPolarHBondContact O-CB 3.24Å; P369-T372 PolarHBondContact O-N 2.85Å; P369-T372 PolarHBondContact O-OG1 2.76Å |
| 370 | P | 94.1 | Very high | 95.3 | Very high | 110 Ų | 110 | 59.5 Ų | 59.5 | 71% | 0.714 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -58.8 | -24.1 | 177.6 | 24.7 | -35 | 0 | 0 | 0 | 113.2 | T372 L373 L374 | P370-T372 PolarHBondContact O-N 3.44Å; P370-L373 PolarHBondContact O-N 2.94Å; P370-L374 PolarHBondContact O-N 2.96Å |
| 371 | T | 95.4 | Very high | 95.5 | Very high | 67 Ų | 67 | 56.6 Ų | 56.6 | 41% | 0.411 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.8 | -29.5 | 174.3 | 53.4 | 0 | 0 | 0 | 0 | 112.7 | P369 L374 W375 | P369-T371 WeakPolarHBondContact CG-OG1 3.33Å; P369-T371 PolarHBondContact O-N 3.46Å; T371-L374 WeakPolarHBondContact O-CB 3.38Å; T371-L374 PolarHBondContact O-N 3.21Å; T371-W375 PolarHBondContact O-N 2.94Å; T371-W375 VanDerWaalsContact O-N 3.14Å |
| 372 | T | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -64.7 | -42.8 | 178 | -59.3 | 0 | 0 | 0 | 0 | 110.8 | F318 L353 F359 E368 P369 P370 W375 V376 | F318-T372 HydrophobicContact CB-CG2 4.24Å; L353-T372 HydrophobicContact CD1-CG2 4Å; L353-T372 HydrophobicContact CD2-CG2 4.18Å; F359-T372 HydrophobicContact CE1-CG2 3.65Å; F359-T372 HydrophobicContact CE2-CG2 3.98Å; F359-T372 HydrophobicContact CZ-CG2 3.28Å; E368-T372 HydrophobicContact CB-CG2 4.13Å; E368-T372 HydrophobicContact CG-CG2 4.14Å; E368-T372 PolarHBondContact OE2-OG1 3.05Å; P369-T372 WeakPolarHBondContact O-CB 3.24Å; P369-T372 PolarHBondContact O-N 2.85Å; P369-T372 PolarHBondContact O-OG1 2.76Å; P370-T372 PolarHBondContact O-N 3.44Å; T372-W375 PolarHBondContact O-N 2.7Å; T372-V376 WeakPolarHBondContact O-CG2 3.29Å; T372-V376 PolarHBondContact O-N 3.18Å |
| 373 | L | 97.8 | Very high | 96 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 19% | 0.188 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 174.6 | 177.4 | 61.2 | 0 | 0 | 0 | 111.7 | E350 L353 K354 P370 W375 V376 Q377 | E350-L373 HydrophobicContact CG-CD1 3.77Å; L353-L373 HydrophobicContact CB-CB 4.31Å; L353-L373 HydrophobicContact CB-CD1 4.04Å; L353-L373 HydrophobicContact CD1-CB 4.49Å; K354-L373 HydrophobicContact CG-CD1 4.18Å; K354-L373 HydrophobicContact CG-CD2 3.87Å; P370-L373 PolarHBondContact O-N 2.94Å; L373-W375 VanDerWaalsContact C-N 3.32Å; L373-W375 PolarHBondContact O-N 3.44Å; L373-V376 WeakPolarHBondContact O-CB 3.43Å; L373-V376 PolarHBondContact O-N 2.86Å; L373-Q377 HydrophobicContact CD1-CG 4.18Å; L373-Q377 HydrophobicContact CG-CG 4.46Å; L373-Q377 WeakPolarHBondContact O-CG 3.3Å; L373-Q377 PolarHBondContact O-N 2.99Å |
| 374 | L | 98.1 | Very high | 96.3 | Very high | 12 Ų | 12 | 45.2 Ų | 45.2 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -47.1 | 176.1 | 171.3 | 66.9 | 0 | 0 | 0 | 111.8 | P370 T371 V376 Q377 Y378 A400 T404 L407 L410 | P370-L374 PolarHBondContact O-N 2.96Å; T371-L374 WeakPolarHBondContact O-CB 3.38Å; T371-L374 PolarHBondContact O-N 3.21Å; L374-V376 PolarHBondContact O-N 2.93Å; L374-Q377 PolarHBondContact O-N 3.21Å; L374-Y378 WeakPolarHBondContact O-CB 3.14Å; L374-Y378 PolarHBondContact O-N 3.03Å; L374-A400 HydrophobicContact CD1-CB 3.76Å; L374-T404 VanDerWaalsContact CD1-OG1 3.28Å; L374-T404 WeakPolarHBondContact CD1-OG1 3.45Å; L374-T404 HydrophobicContact CD2-CG2 3.89Å; L374-T404 VanDerWaalsContact CD2-OG1 3.26Å; L374-T404 WeakPolarHBondContact CD2-OG1 3.24Å; L374-L407 HydrophobicContact CD2-CD2 4.01Å; L374-L410 HydrophobicContact CD1-CD1 4.25Å; L374-L410 HydrophobicContact CD1-CD2 4.34Å |
| 375 | W | 98.3 | Very high | 96.7 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 10% | 0.098 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -71.1 | -29.5 | -179.5 | -70.2 | 111 | 0 | 0 | 0 | 113.6 | F318 G321 P323 T371 T372 L373 Y378 Y379 L407 | F318-W375 HydrophobicContact CD1-CB 4.03Å; G321-W375 VanDerWaalsContact O-CE2 3.3Å; G321-W375 VanDerWaalsContact O-CZ2 3.29Å; G321-W375 WeakPolarHBondContact O-CZ2 3.36Å; P323-W375 HydrophobicContact CB-CH2 4.16Å; P323-W375 HydrophobicContact CB-CZ3 4.02Å; P323-W375 HydrophobicContact CG-CH2 3.7Å; P323-W375 HydrophobicContact CG-CZ3 4.07Å; T371-W375 PolarHBondContact O-N 2.94Å; T371-W375 VanDerWaalsContact O-N 3.14Å; T372-W375 PolarHBondContact O-N 2.7Å; L373-W375 VanDerWaalsContact C-N 3.32Å; L373-W375 PolarHBondContact O-N 3.44Å; W375-Y378 AromaticContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CE1 4.34Å; W375-Y378 HydrophobicContact CE3-CG 4.1Å; W375-Y378 AromaticContact CZ3-CD1 3.83Å; W375-Y378 HydrophobicContact CZ3-CD1 3.83Å; W375-Y378 HydrophobicContact CZ3-CE1 4.06Å; W375-Y378 HydrophobicContact CZ3-CG 4.22Å; W375-Y379 WeakPolarHBondContact O-CB 3.46Å; W375-Y379 PolarHBondContact O-N 3.17Å; W375-L407 HydrophobicContact CH2-CD1 4.29Å; W375-L407 HydrophobicContact CH2-CD2 3.86Å; W375-L407 HydrophobicContact CZ2-CD2 4.11Å; W375-L407 HydrophobicContact CZ3-CD2 4.37Å |
| 376 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.6 | -47.8 | 170.5 | 167.7 | 0 | 0 | 0 | 0 | 110.3 | F318 V346 E350 L353 T372 L373 L374 Y379 L380 | F318-V376 HydrophobicContact CB-CG2 4.32Å; F318-V376 HydrophobicContact CD1-CG2 4.33Å; F318-V376 HydrophobicContact CD2-CG2 3.69Å; F318-V376 HydrophobicContact CE2-CG2 3.97Å; F318-V376 HydrophobicContact CG-CG2 3.89Å; F318-V376 HydrophobicContact CZ-CG2 4.42Å; V346-V376 HydrophobicContact CG1-CG1 3.84Å; E350-V376 HydrophobicContact CB-CG1 3.87Å; E350-V376 HydrophobicContact CG-CG1 4.43Å; L353-V376 HydrophobicContact CD1-CG2 3.89Å; T372-V376 WeakPolarHBondContact O-CG2 3.29Å; T372-V376 PolarHBondContact O-N 3.18Å; L373-V376 WeakPolarHBondContact O-CB 3.43Å; L373-V376 PolarHBondContact O-N 2.86Å; L374-V376 PolarHBondContact O-N 2.93Å; V376-Y379 WeakPolarHBondContact O-CB 3.43Å; V376-Y379 PolarHBondContact O-N 2.88Å; V376-L380 HydrophobicContact CG1-CD1 4.1Å; V376-L380 WeakPolarHBondContact O-CG 3.47Å; V376-L380 PolarHBondContact O-N 2.98Å |
| 377 | Q | 98.4 | Very high | 97.3 | Very high | 7 Ų | 7 | 34.7 Ų | 34.7 | 3% | 0.033 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.9 | -40.8 | 177.5 | -68.8 | 177.7 | -35.4 | 0 | 0 | 112.1 | E350 L373 L374 Y379 L380 A381 Y396 | E350-Q377 HydrophobicContact CG-CG 4.38Å; L373-Q377 HydrophobicContact CD1-CG 4.18Å; L373-Q377 HydrophobicContact CG-CG 4.46Å; L373-Q377 WeakPolarHBondContact O-CG 3.3Å; L373-Q377 PolarHBondContact O-N 2.99Å; L374-Q377 PolarHBondContact O-N 3.21Å; Q377-Y379 VanDerWaalsContact C-N 3.3Å; Q377-Y379 PolarHBondContact O-N 3.48Å; Q377-L380 PolarHBondContact O-N 3.13Å; Q377-A381 PolarHBondContact O-N 2.97Å; Q377-Y396 HydrophobicContact CB-CD1 4.22Å; Q377-Y396 HydrophobicContact CG-CD1 4.2Å |
| 378 | Y | 98.5 | Very high | 97.4 | Very high | 17 Ų | 17 | 31.4 Ų | 31.4 | 7% | 0.067 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.6 | -42.5 | 172 | 175.6 | -102.6 | 0 | 0 | 0 | 112.2 | P323 L374 W375 Q382 I397 E409 L410 V413 | P323-Y378 WeakPolarHBondContact O-CE1 3.13Å; L374-Y378 WeakPolarHBondContact O-CB 3.14Å; L374-Y378 PolarHBondContact O-N 3.03Å; W375-Y378 AromaticContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CD1 3.71Å; W375-Y378 HydrophobicContact CE3-CE1 4.34Å; W375-Y378 HydrophobicContact CE3-CG 4.1Å; W375-Y378 AromaticContact CZ3-CD1 3.83Å; W375-Y378 HydrophobicContact CZ3-CD1 3.83Å; W375-Y378 HydrophobicContact CZ3-CE1 4.06Å; W375-Y378 HydrophobicContact CZ3-CG 4.22Å; Y378-Q382 VanDerWaalsContact CE1-OE1 3.3Å; Y378-Q382 VanDerWaalsContact CZ-NE2 3.35Å; Y378-Q382 WeakPolarHBondContact O-CG 3.46Å; Y378-Q382 PolarHBondContact O-N 3.43Å; Y378-Q382 PolarHBondContact OH-NE2 2.95Å; Y378-I397 HydrophobicContact CD2-CD1 4.23Å; Y378-E409 HydrophobicContact CE2-CB 3.89Å; Y378-E409 WeakPolarHBondContact CE2-O 3.4Å; Y378-L410 HydrophobicContact CD2-CD2 3.58Å; Y378-L410 HydrophobicContact CE2-CD2 4.31Å; Y378-L410 HydrophobicContact CG-CD2 4.36Å; Y378-V413 HydrophobicContact CD2-CG2 4.23Å; Y378-V413 HydrophobicContact CE2-CB 4.2Å; Y378-V413 HydrophobicContact CE2-CG2 3.37Å |
| 379 | Y | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 33 Ų | 33 | 1% | 0.012 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.6 | -45.7 | 175.5 | -172.6 | -76.8 | 0 | 0 | 0 | 111.7 | L314 F318 V325 F326 L329 Y333 I342 V346 W375 V376 Q377 A381 Q382 H383 | L314-Y379 HydrophobicContact CD2-CE2 4.25Å; F318-Y379 AromaticContact CE1-CD2 3.86Å; F318-Y379 HydrophobicContact CE1-CD2 3.86Å; F318-Y379 AromaticContact CE1-CG 4Å; F318-Y379 HydrophobicContact CE1-CG 4Å; F318-Y379 HydrophobicContact CZ-CD1 4.42Å; F318-Y379 AromaticContact CZ-CD2 3.76Å; F318-Y379 HydrophobicContact CZ-CD2 3.76Å; F318-Y379 HydrophobicContact CZ-CE2 4.49Å; F318-Y379 AromaticContact CZ-CG 3.73Å; F318-Y379 HydrophobicContact CZ-CG 3.73Å; V325-Y379 HydrophobicContact CB-CD2 4.05Å; V325-Y379 HydrophobicContact CB-CE2 4.24Å; V325-Y379 HydrophobicContact CG1-CD2 3.98Å; V325-Y379 HydrophobicContact CG1-CE2 3.83Å; F326-Y379 VanDerWaalsContact CA-CE2 3.47Å; F326-Y379 HydrophobicContact CB-CD2 3.9Å; F326-Y379 HydrophobicContact CB-CE2 3.86Å; F326-Y379 HydrophobicContact CD2-CE1 4.36Å; F326-Y379 HydrophobicContact CD2-CE2 4.29Å; L329-Y379 HydrophobicContact CD1-CE2 4.03Å; L329-Y379 WeakPolarHBondContact CD1-OH 3.1Å; Y333-Y379 PolarHBondContact OH-OH 3.42Å; I342-Y379 HydrophobicContact CG2-CE1 3.74Å; I342-Y379 WeakPolarHBondContact CG2-OH 3.48Å; V346-Y379 HydrophobicContact CG1-CD1 4.08Å; V346-Y379 HydrophobicContact CG2-CD1 4.3Å; V346-Y379 HydrophobicContact CG2-CE1 4.25Å; W375-Y379 WeakPolarHBondContact O-CB 3.46Å; W375-Y379 PolarHBondContact O-N 3.17Å; V376-Y379 WeakPolarHBondContact O-CB 3.43Å; V376-Y379 PolarHBondContact O-N 2.88Å; Q377-Y379 VanDerWaalsContact C-N 3.3Å; Q377-Y379 PolarHBondContact O-N 3.48Å; Y379-A381 VanDerWaalsContact C-N 3.35Å; Y379-A381 PolarHBondContact O-N 3.49Å; Y379-Q382 PolarHBondContact O-N 2.85Å; Y379-Q382 VanDerWaalsContact O-N 3.14Å; Y379-H383 HydrophobicContact CD1-CB 4.4Å; Y379-H383 HydrophobicContact CE1-CB 4.33Å; Y379-H383 WeakPolarHBondContact O-CB 3.49Å; Y379-H383 PolarHBondContact O-N 3.39Å |
| 380 | L | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 179.4 | -72.8 | 169.4 | 0 | 0 | 0 | 111.7 | V346 V347 E350 V376 Q377 Q382 H383 Y384 Y396 | V346-L380 HydrophobicContact CB-CD2 4.05Å; V346-L380 HydrophobicContact CG1-CD1 4.11Å; V346-L380 HydrophobicContact CG1-CD2 3.67Å; V346-L380 HydrophobicContact CG1-CG 3.66Å; V347-L380 HydrophobicContact CG2-CD1 4.43Å; V347-L380 HydrophobicContact CG2-CD2 3.9Å; E350-L380 HydrophobicContact CB-CD1 4.13Å; E350-L380 HydrophobicContact CG-CD1 4.44Å; V376-L380 HydrophobicContact CG1-CD1 4.1Å; V376-L380 WeakPolarHBondContact O-CG 3.47Å; V376-L380 PolarHBondContact O-N 2.98Å; Q377-L380 PolarHBondContact O-N 3.13Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.3Å; L380-H383 WeakPolarHBondContact O-CB 3.49Å; L380-H383 PolarHBondContact O-N 3.29Å; L380-H383 VanDerWaalsContact O-N 3.14Å; L380-Y384 HydrophobicContact CB-CD2 4.32Å; L380-Y384 HydrophobicContact CB-CE2 4.24Å; L380-Y384 HydrophobicContact CD2-CE2 4.09Å; L380-Y384 WeakPolarHBondContact O-CD2 3.39Å; L380-Y384 PolarHBondContact O-N 2.78Å; L380-Y396 HydrophobicContact CB-CD1 3.81Å; L380-Y396 HydrophobicContact CB-CD2 4.13Å; L380-Y396 HydrophobicContact CB-CE1 3.84Å; L380-Y396 HydrophobicContact CB-CE2 4.21Å; L380-Y396 HydrophobicContact CB-CG 3.95Å; L380-Y396 HydrophobicContact CD1-CD1 4.14Å; L380-Y396 HydrophobicContact CD1-CE1 3.41Å; L380-Y396 VanDerWaalsContact CD1-CE1 3.41Å; L380-Y396 HydrophobicContact CG-CE1 4.25Å |
| 381 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.3 | -44.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q377 Y379 D385 A393 I397 V413 | Q377-A381 PolarHBondContact O-N 2.97Å; Y379-A381 VanDerWaalsContact C-N 3.35Å; Y379-A381 PolarHBondContact O-N 3.49Å; A381-D385 VanDerWaalsContact O-CB 3.31Å; A381-D385 WeakPolarHBondContact O-CB 3.33Å; A381-D385 PolarHBondContact O-N 2.89Å; A381-D385 VanDerWaalsContact O-N 3.09Å; A381-A393 WeakPolarHBondContact O-CB 3.48Å; A381-I397 HydrophobicContact CB-CB 3.92Å; A381-I397 HydrophobicContact CB-CD1 3.9Å; A381-I397 HydrophobicContact CB-CG1 4.42Å; A381-V413 HydrophobicContact CB-CG1 4.13Å |
| 382 | Q | 98.6 | Very high | 97.6 | Very high | 11 Ų | 11 | 28.2 Ų | 28.2 | 5% | 0.051 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70.9 | -33.5 | 177.1 | -64.1 | -178.4 | -45.7 | 0 | 0 | 113.1 | F326 Y378 Y379 L380 K386 V413 | F326-Q382 HydrophobicContact CB-CB 4.1Å; F326-Q382 HydrophobicContact CD1-CB 3.69Å; F326-Q382 HydrophobicContact CD1-CG 4.4Å; F326-Q382 HydrophobicContact CD2-CB 3.73Å; F326-Q382 HydrophobicContact CE1-CB 4.05Å; F326-Q382 HydrophobicContact CE2-CB 4.09Å; F326-Q382 WeakPolarHBondContact CE2-O 3.46Å; F326-Q382 HydrophobicContact CG-CB 3.54Å; F326-Q382 HydrophobicContact CG-CG 4.42Å; F326-Q382 HydrophobicContact CZ-CB 4.25Å; F326-Q382 VanDerWaalsContact CZ-O 3.31Å; F326-Q382 WeakPolarHBondContact CZ-O 3.45Å; Y378-Q382 VanDerWaalsContact CE1-OE1 3.3Å; Y378-Q382 VanDerWaalsContact CZ-NE2 3.35Å; Y378-Q382 WeakPolarHBondContact O-CG 3.46Å; Y378-Q382 PolarHBondContact O-N 3.43Å; Y378-Q382 PolarHBondContact OH-NE2 2.95Å; Y379-Q382 PolarHBondContact O-N 2.85Å; Y379-Q382 VanDerWaalsContact O-N 3.14Å; L380-Q382 VanDerWaalsContact C-N 3.3Å; L380-Q382 PolarHBondContact O-N 3.3Å; Q382-K386 WeakPolarHBondContact O-CB 3.31Å; Q382-K386 PolarHBondContact O-N 2.94Å; Q382-K386 VanDerWaalsContact O-N 3.12Å; Q382-V413 HydrophobicContact CG-CG1 3.92Å; Q382-V413 HydrophobicContact CG-CG2 3.67Å; Q382-V413 VanDerWaalsContact NE2-CG2 3.29Å |
| 383 | H | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.5 | -55.9 | 174.8 | 173.6 | 91.2 | 0 | 0 | 0 | 111.1 | F326 Y333 E343 Y379 L380 D385 K386 I387 | F326-H383 HydrophobicContact CE2-CB 4.47Å; Y333-H383 AromaticContact CE1-ND1 3.45Å; Y333-H383 WeakPolarHBondContact CE1-ND1 3.27Å; Y333-H383 AromaticContact CZ-ND1 3.57Å; Y333-H383 PolarHBondContact OH-ND1 2.97Å; E343-H383 IonicContact OE2-CE1 3.97Å; E343-H383 IonicContact OE2-NE2 3.56Å; E343-H383 PolarHBondContact OE2-NE2 3.18Å; E343-H383 VanDerWaalsContact OE2-NE2 3.12Å; Y379-H383 HydrophobicContact CD1-CB 4.4Å; Y379-H383 HydrophobicContact CE1-CB 4.33Å; Y379-H383 WeakPolarHBondContact O-CB 3.49Å; Y379-H383 PolarHBondContact O-N 3.39Å; L380-H383 WeakPolarHBondContact O-CB 3.49Å; L380-H383 PolarHBondContact O-N 3.29Å; L380-H383 VanDerWaalsContact O-N 3.14Å; H383-D385 VanDerWaalsContact C-N 3.34Å; H383-D385 PolarHBondContact O-N 3.18Å; H383-K386 WeakPolarHBondContact O-CA 3.43Å; H383-K386 WeakPolarHBondContact O-CB 3.4Å; H383-K386 PolarHBondContact O-N 3.15Å; H383-I387 WeakPolarHBondContact O-CG1 3.2Å; H383-I387 PolarHBondContact O-N 3Å |
| 384 | Y | 98.4 | Very high | 97.6 | Very high | 20 Ų | 20 | 27 Ų | 27 | 8% | 0.078 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | -178.9 | -71.6 | -64.5 | 0 | 0 | 0 | 112.7 | L380 K386 I387 G388 Q389 I392 Y396 | L380-Y384 HydrophobicContact CB-CD2 4.32Å; L380-Y384 HydrophobicContact CB-CE2 4.24Å; L380-Y384 HydrophobicContact CD2-CE2 4.09Å; L380-Y384 WeakPolarHBondContact O-CD2 3.39Å; L380-Y384 PolarHBondContact O-N 2.78Å; Y384-K386 VanDerWaalsContact C-N 3.28Å; Y384-K386 PolarHBondContact O-N 3.37Å; Y384-I387 PolarHBondContact O-N 2.94Å; Y384-G388 PolarHBondContact O-N 2.99Å; Y384-Q389 HydrophobicContact CD1-CB 4.42Å; Y384-Q389 VanDerWaalsContact CD1-OE1 3.24Å; Y384-Q389 PolarHBondContact O-N 3.4Å; Y384-I392 HydrophobicContact CD1-CB 4.31Å; Y384-I392 HydrophobicContact CD1-CD1 4.47Å; Y384-I392 HydrophobicContact CD1-CG2 3.88Å; Y384-I392 HydrophobicContact CD2-CB 4.44Å; Y384-I392 HydrophobicContact CD2-CG2 3.48Å; Y384-I392 VanDerWaalsContact CD2-CG2 3.48Å; Y384-I392 HydrophobicContact CE1-CD1 4.44Å; Y384-I392 HydrophobicContact CE1-CG2 4Å; Y384-I392 HydrophobicContact CE2-CG2 3.63Å; Y384-I392 HydrophobicContact CG-CB 4.13Å; Y384-I392 HydrophobicContact CG-CG2 3.61Å; Y384-Y396 AromaticContact CD2-CD2 3.68Å; Y384-Y396 HydrophobicContact CD2-CD2 3.68Å; Y384-Y396 AromaticContact CD2-CE2 3.67Å; Y384-Y396 HydrophobicContact CD2-CE2 3.67Å; Y384-Y396 AromaticContact CE2-CD2 3.8Å; Y384-Y396 HydrophobicContact CE2-CD2 3.8Å; Y384-Y396 AromaticContact CE2-CE2 3.26Å; Y384-Y396 HydrophobicContact CE2-CE2 3.26Å |
| 385 | D | 98.1 | Very high | 97.6 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 8% | 0.08 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.3 | -44.3 | 168.9 | -179.9 | 40.9 | 0 | 0 | 0 | 111.4 | A381 H383 G388 A393 I417 H420 | A381-D385 VanDerWaalsContact O-CB 3.31Å; A381-D385 WeakPolarHBondContact O-CB 3.33Å; A381-D385 PolarHBondContact O-N 2.89Å; A381-D385 VanDerWaalsContact O-N 3.09Å; H383-D385 VanDerWaalsContact C-N 3.34Å; H383-D385 PolarHBondContact O-N 3.18Å; D385-G388 PolarHBondContact O-N 3.16Å; D385-A393 HydrophobicContact CB-CB 4.32Å; D385-I417 HydrophobicContact CB-CG1 3.88Å; D385-H420 IonicContact OD1-CE1 3.53Å; D385-H420 IonicContact OD1-CG 3.82Å; D385-H420 IonicContact OD1-ND1 2.65Å; D385-H420 PolarHBondContact OD1-ND1 3.39Å; D385-H420 IonicContact OD2-CE1 2.81Å; D385-H420 PolarHBondContact OD2-CE1 2.93Å; D385-H420 VanDerWaalsContact OD2-CE1 3.24Å; D385-H420 IonicContact OD2-ND1 3.76Å; D385-H420 PolarHBondContact OD2-ND1 2.91Å |
| 386 | K | 96.8 | Very high | 97.6 | Very high | 122 Ų | 122 | 33.1 Ų | 33.1 | 53% | 0.53 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -72.8 | -30.4 | -178.7 | -176.3 | 59.8 | 177.5 | 166 | 0 | 113.6 | F326 Y333 Q382 H383 Y384 G388 | F326-K386 HydrophobicContact CE2-CB 4.23Å; F326-K386 HydrophobicContact CZ-CB 3.62Å; F326-K386 HydrophobicContact CZ-CG 3.91Å; Y333-K386 HydrophobicContact CD1-CB 4.33Å; Y333-K386 HydrophobicContact CD1-CG 3.64Å; Y333-K386 HydrophobicContact CE1-CB 4.38Å; Y333-K386 HydrophobicContact CE1-CG 4.16Å; Y333-K386 HydrophobicContact CG-CG 4.23Å; Q382-K386 WeakPolarHBondContact O-CB 3.31Å; Q382-K386 PolarHBondContact O-N 2.94Å; Q382-K386 VanDerWaalsContact O-N 3.12Å; H383-K386 WeakPolarHBondContact O-CA 3.43Å; H383-K386 WeakPolarHBondContact O-CB 3.4Å; H383-K386 PolarHBondContact O-N 3.15Å; Y384-K386 VanDerWaalsContact C-N 3.28Å; Y384-K386 PolarHBondContact O-N 3.37Å; K386-G388 VanDerWaalsContact C-N 3.27Å |
| 387 | I | 95 | Very high | 97.6 | Very high | 53 Ų | 53 | 33.1 Ų | 33.1 | 27% | 0.272 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -75.5 | -19.8 | 174.5 | -64.1 | -62.7 | 0 | 0 | 0 | 111.8 | Y333 V339 H383 Y384 Q389 | Y333-I387 HydrophobicContact CD1-CD1 4.48Å; V339-I387 HydrophobicContact CG1-CD1 3.52Å; V339-I387 HydrophobicContact CG1-CG1 4.43Å; H383-I387 WeakPolarHBondContact O-CG1 3.2Å; H383-I387 PolarHBondContact O-N 3Å; Y384-I387 PolarHBondContact O-N 2.94Å; I387-Q389 HydrophobicContact CG2-CG 4.39Å |
| 388 | G | 94.8 | Very high | 97.6 | Very high | 54 Ų | 54 | 35.1 Ų | 35.1 | 56% | 0.557 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 89 | 34.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y384 D385 K386 P390 | Y384-G388 PolarHBondContact O-N 2.99Å; D385-G388 PolarHBondContact O-N 3.16Å; K386-G388 VanDerWaalsContact C-N 3.27Å; G388-P390 VanDerWaalsContact C-CD 3.48Å; G388-P390 WeakPolarHBondContact O-CD 3.34Å |
| 389 | Q | 96.4 | Very high | 97.6 | Very high | 79 Ų | 79 | 37.2 Ų | 37.2 | 37% | 0.369 | 20% | 0.202 | S | C | . | . | trans | -116.6 | 76.5 | 172.9 | -69.9 | 177.6 | -27.9 | 0 | 0 | 110.1 | Y384 I387 S391 I392 A393 | Y384-Q389 HydrophobicContact CD1-CB 4.42Å; Y384-Q389 VanDerWaalsContact CD1-OE1 3.24Å; Y384-Q389 PolarHBondContact O-N 3.4Å; I387-Q389 HydrophobicContact CG2-CG 4.39Å; Q389-S391 VanDerWaalsContact C-N 3.32Å; Q389-S391 PolarHBondContact O-N 3.18Å; Q389-I392 HydrophobicContact CB-CD1 4.32Å; Q389-I392 PolarHBondContact O-N 2.87Å; Q389-A393 PolarHBondContact O-N 2.81Å; Q389-A393 VanDerWaalsContact O-N 3.16Å | ||
| 390 | P | 95.2 | Very high | 97.5 | Very high | 29 Ų | 29 | 37 Ų | 37 | 19% | 0.188 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.6 | -31.1 | -172.1 | -21.2 | 34 | 0 | 0 | 0 | 113.9 | G388 A393 L394 I417 A421 Y834 | G388-P390 VanDerWaalsContact C-CD 3.48Å; G388-P390 WeakPolarHBondContact O-CD 3.34Å; P390-A393 PolarHBondContact O-N 3.5Å; P390-L394 WeakPolarHBondContact O-CB 3.33Å; P390-L394 VanDerWaalsContact O-CG 3.26Å; P390-L394 WeakPolarHBondContact O-CG 3.41Å; P390-L394 PolarHBondContact O-N 3.32Å; P390-I417 HydrophobicContact CB-CG2 3.95Å; P390-A421 HydrophobicContact CB-CB 3.93Å; P390-A421 HydrophobicContact CG-CB 3.95Å; P390-Y834 HydrophobicContact CB-CD2 4.33Å; P390-Y834 HydrophobicContact CB-CE2 4.2Å |
| 391 | S | 96.7 | Very high | 97.4 | Very high | 57 Ų | 57 | 38 Ų | 38 | 40% | 0.399 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.6 | -51.9 | 179.2 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | Q389 A393 L394 E395 | Q389-S391 VanDerWaalsContact C-N 3.32Å; Q389-S391 PolarHBondContact O-N 3.18Å; S391-A393 VanDerWaalsContact C-N 3.33Å; S391-A393 PolarHBondContact O-N 3.06Å; S391-L394 PolarHBondContact O-N 3.16Å; S391-E395 PolarHBondContact O-N 3.43Å |
| 392 | I | 98 | Very high | 97.3 | Very high | 52 Ų | 52 | 45.2 Ų | 45.2 | 27% | 0.267 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.2 | -43.7 | 176.7 | -59.2 | 174.8 | 0 | 0 | 0 | 109.9 | Y384 Q389 L394 E395 Y396 | Y384-I392 HydrophobicContact CD1-CB 4.31Å; Y384-I392 HydrophobicContact CD1-CD1 4.47Å; Y384-I392 HydrophobicContact CD1-CG2 3.88Å; Y384-I392 HydrophobicContact CD2-CB 4.44Å; Y384-I392 HydrophobicContact CD2-CG2 3.48Å; Y384-I392 VanDerWaalsContact CD2-CG2 3.48Å; Y384-I392 HydrophobicContact CE1-CD1 4.44Å; Y384-I392 HydrophobicContact CE1-CG2 4Å; Y384-I392 HydrophobicContact CE2-CG2 3.63Å; Y384-I392 HydrophobicContact CG-CB 4.13Å; Y384-I392 HydrophobicContact CG-CG2 3.61Å; Q389-I392 HydrophobicContact CB-CD1 4.32Å; Q389-I392 PolarHBondContact O-N 2.87Å; I392-L394 VanDerWaalsContact C-N 3.27Å; I392-L394 PolarHBondContact O-N 2.83Å; I392-E395 PolarHBondContact O-N 3.29Å; I392-Y396 HydrophobicContact CG2-CD2 3.79Å; I392-Y396 HydrophobicContact CG2-CE2 3.66Å; I392-Y396 VanDerWaalsContact O-CD2 3.29Å; I392-Y396 WeakPolarHBondContact O-CD2 3.08Å; I392-Y396 PolarHBondContact O-N 3.33Å; I392-Y396 VanDerWaalsContact O-N 3.13Å |
| 393 | A | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.7 | -38.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | A381 D385 Q389 P390 S391 I397 I417 | A381-A393 WeakPolarHBondContact O-CB 3.48Å; D385-A393 HydrophobicContact CB-CB 4.32Å; Q389-A393 PolarHBondContact O-N 2.81Å; Q389-A393 VanDerWaalsContact O-N 3.16Å; P390-A393 PolarHBondContact O-N 3.5Å; S391-A393 VanDerWaalsContact C-N 3.33Å; S391-A393 PolarHBondContact O-N 3.06Å; A393-I397 PolarHBondContact O-N 2.83Å; A393-I417 HydrophobicContact CB-CD1 3.77Å; A393-I417 HydrophobicContact CB-CG1 4.09Å; A393-I417 HydrophobicContact CB-CG2 4.29Å |
| 394 | L | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 50 Ų | 50 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -69.5 | -39 | 177.1 | -76.8 | 169.3 | 0 | 0 | 0 | 112.2 | P390 S391 I392 I397 N398 K414 I417 Y418 Y834 | P390-L394 WeakPolarHBondContact O-CB 3.33Å; P390-L394 VanDerWaalsContact O-CG 3.26Å; P390-L394 WeakPolarHBondContact O-CG 3.41Å; P390-L394 PolarHBondContact O-N 3.32Å; S391-L394 PolarHBondContact O-N 3.16Å; I392-L394 VanDerWaalsContact C-N 3.27Å; I392-L394 PolarHBondContact O-N 2.83Å; L394-I397 HydrophobicContact CD2-CG2 4.32Å; L394-I397 WeakPolarHBondContact O-CG2 3.38Å; L394-I397 PolarHBondContact O-N 2.82Å; L394-N398 WeakPolarHBondContact O-CB 3.45Å; L394-N398 PolarHBondContact O-N 3.03Å; L394-N398 PolarHBondContact O-ND2 3.01Å; L394-K414 HydrophobicContact CD2-CG 4.28Å; L394-I417 HydrophobicContact CD1-CG2 4.48Å; L394-I417 HydrophobicContact CD2-CB 4.47Å; L394-I417 HydrophobicContact CD2-CG2 4.05Å; L394-I417 HydrophobicContact CG-CG2 3.87Å; L394-Y418 HydrophobicContact CD1-CE1 4.28Å; L394-Y418 HydrophobicContact CD2-CD2 4.19Å; L394-Y418 HydrophobicContact CD2-CE2 3.58Å; L394-Y834 HydrophobicContact CD1-CE1 4.08Å |
| 395 | E | 98.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 52.6 Ų | 52.6 | 62% | 0.617 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -58.4 | -51.5 | 174 | -71.3 | 179.1 | 179.4 | 0 | 0 | 110.7 | S391 I392 I397 N398 T399 | S391-E395 PolarHBondContact O-N 3.43Å; I392-E395 PolarHBondContact O-N 3.29Å; E395-I397 PolarHBondContact O-N 3.15Å; E395-N398 PolarHBondContact O-N 3.43Å; E395-T399 PolarHBondContact O-N 2.87Å; E395-T399 PolarHBondContact O-OG1 3.48Å |
| 396 | Y | 98.5 | Very high | 96.7 | Very high | 34 Ų | 34 | 57 Ų | 57 | 13% | 0.133 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.8 | -47.1 | 177.9 | -84.9 | -70.8 | 0 | 0 | 0 | 113.3 | E350 Q377 L380 Y384 I392 A400 | E350-Y396 VanDerWaalsContact CD-CE1 3.41Å; E350-Y396 VanDerWaalsContact OE1-CE1 3.31Å; E350-Y396 WeakPolarHBondContact OE1-CE1 3.47Å; E350-Y396 WeakPolarHBondContact OE2-CE1 3.47Å; E350-Y396 PolarHBondContact OE2-OH 2.74Å; Q377-Y396 HydrophobicContact CB-CD1 4.22Å; Q377-Y396 HydrophobicContact CG-CD1 4.2Å; L380-Y396 HydrophobicContact CB-CD1 3.81Å; L380-Y396 HydrophobicContact CB-CD2 4.13Å; L380-Y396 HydrophobicContact CB-CE1 3.84Å; L380-Y396 HydrophobicContact CB-CE2 4.21Å; L380-Y396 HydrophobicContact CB-CG 3.95Å; L380-Y396 HydrophobicContact CD1-CD1 4.14Å; L380-Y396 HydrophobicContact CD1-CE1 3.41Å; L380-Y396 VanDerWaalsContact CD1-CE1 3.41Å; L380-Y396 HydrophobicContact CG-CE1 4.25Å; Y384-Y396 AromaticContact CD2-CD2 3.68Å; Y384-Y396 HydrophobicContact CD2-CD2 3.68Å; Y384-Y396 AromaticContact CD2-CE2 3.67Å; Y384-Y396 HydrophobicContact CD2-CE2 3.67Å; Y384-Y396 AromaticContact CE2-CD2 3.8Å; Y384-Y396 HydrophobicContact CE2-CD2 3.8Å; Y384-Y396 AromaticContact CE2-CE2 3.26Å; Y384-Y396 HydrophobicContact CE2-CE2 3.26Å; I392-Y396 HydrophobicContact CG2-CD2 3.79Å; I392-Y396 HydrophobicContact CG2-CE2 3.66Å; I392-Y396 VanDerWaalsContact O-CD2 3.29Å; I392-Y396 WeakPolarHBondContact O-CD2 3.08Å; I392-Y396 PolarHBondContact O-N 3.33Å; I392-Y396 VanDerWaalsContact O-N 3.13Å; Y396-A400 WeakPolarHBondContact O-CB 3.28Å; Y396-A400 PolarHBondContact O-N 2.89Å; Y396-A400 VanDerWaalsContact O-N 3.1Å |
| 397 | I | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -72.6 | -33 | -176.7 | -155.1 | 62.7 | 0 | 0 | 0 | 112 | Y378 A381 A393 L394 E395 A400 I401 L410 V413 K414 I417 | Y378-I397 HydrophobicContact CD2-CD1 4.23Å; A381-I397 HydrophobicContact CB-CB 3.92Å; A381-I397 HydrophobicContact CB-CD1 3.9Å; A381-I397 HydrophobicContact CB-CG1 4.42Å; A393-I397 PolarHBondContact O-N 2.83Å; L394-I397 HydrophobicContact CD2-CG2 4.32Å; L394-I397 WeakPolarHBondContact O-CG2 3.38Å; L394-I397 PolarHBondContact O-N 2.82Å; E395-I397 PolarHBondContact O-N 3.15Å; I397-A400 PolarHBondContact O-N 2.53Å; I397-I401 HydrophobicContact CG1-CD1 4.34Å; I397-I401 VanDerWaalsContact O-CG1 3.24Å; I397-I401 WeakPolarHBondContact O-CG1 3.31Å; I397-I401 PolarHBondContact O-N 2.85Å; I397-L410 HydrophobicContact CD1-CB 4.19Å; I397-L410 HydrophobicContact CD1-CD2 4.01Å; I397-L410 WeakPolarHBondContact CG1-O 3.14Å; I397-V413 HydrophobicContact CD1-CB 3.92Å; I397-V413 HydrophobicContact CD1-CG1 3.81Å; I397-V413 HydrophobicContact CG1-CB 4.34Å; I397-V413 HydrophobicContact CG1-CG1 4.15Å; I397-K414 HydrophobicContact CG1-CB 4.24Å; I397-K414 HydrophobicContact CG2-CB 4.11Å; I397-K414 HydrophobicContact CG2-CD 4.25Å; I397-K414 HydrophobicContact CG2-CG 4.08Å; I397-I417 HydrophobicContact CB-CD1 4.29Å; I397-I417 HydrophobicContact CG2-CD1 4.02Å |
| 398 | N | 98.1 | Very high | 96.7 | Very high | 49 Ų | 49 | 51.9 Ų | 51.9 | 26% | 0.262 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.4 | -45 | 177.5 | -72.6 | -26.1 | 0 | 0 | 0 | 110.9 | L394 E395 A400 I401 E402 K414 | L394-N398 WeakPolarHBondContact O-CB 3.45Å; L394-N398 PolarHBondContact O-N 3.03Å; L394-N398 PolarHBondContact O-ND2 3.01Å; E395-N398 PolarHBondContact O-N 3.43Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.27Å; N398-I401 PolarHBondContact O-N 2.94Å; N398-I401 VanDerWaalsContact O-N 3.13Å; N398-E402 WeakPolarHBondContact O-CG 3.46Å; N398-E402 PolarHBondContact O-N 2.98Å; N398-K414 WeakPolarHBondContact OD1-CE 3.31Å; N398-K414 PolarHBondContact OD1-NZ 2.98Å |
| 399 | T | 97.2 | Very high | 96.9 | Very high | 61 Ų | 61 | 52.1 Ų | 52.1 | 37% | 0.374 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 173.3 | -58.9 | 0 | 0 | 0 | 0 | 111.9 | E395 E402 S403 | E395-T399 PolarHBondContact O-N 2.87Å; E395-T399 PolarHBondContact O-OG1 3.48Å; T399-E402 PolarHBondContact O-N 3.45Å; T399-S403 PolarHBondContact O-N 3.08Å; T399-S403 VanDerWaalsContact O-N 3.08Å |
| 400 | A | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L374 Y396 I397 N398 S403 T404 L410 | L374-A400 HydrophobicContact CD1-CB 3.76Å; Y396-A400 WeakPolarHBondContact O-CB 3.28Å; Y396-A400 PolarHBondContact O-N 2.89Å; Y396-A400 VanDerWaalsContact O-N 3.1Å; I397-A400 PolarHBondContact O-N 2.53Å; N398-A400 VanDerWaalsContact C-N 3.28Å; N398-A400 PolarHBondContact O-N 3.27Å; A400-S403 PolarHBondContact O-N 3.05Å; A400-S403 PolarHBondContact O-OG 3.15Å; A400-T404 PolarHBondContact O-N 2.83Å; A400-T404 PolarHBondContact O-OG1 2.65Å; A400-L410 HydrophobicContact CB-CD1 4.11Å; A400-L410 HydrophobicContact CB-CD2 3.95Å; A400-L410 WeakPolarHBondContact O-CD1 3.31Å |
| 401 | I | 97.1 | Very high | 97.1 | Very high | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -42.1 | 177.8 | -69.5 | 165.4 | 0 | 0 | 0 | 111 | I397 N398 S403 T404 P405 L410 F411 K414 | I397-I401 HydrophobicContact CG1-CD1 4.34Å; I397-I401 VanDerWaalsContact O-CG1 3.24Å; I397-I401 WeakPolarHBondContact O-CG1 3.31Å; I397-I401 PolarHBondContact O-N 2.85Å; N398-I401 PolarHBondContact O-N 2.94Å; N398-I401 VanDerWaalsContact O-N 3.13Å; I401-S403 VanDerWaalsContact C-N 3.25Å; I401-S403 PolarHBondContact O-N 3.14Å; I401-T404 CarbonylContact O-C 3.45Å; I401-T404 VanDerWaalsContact O-C 3.27Å; I401-T404 PolarHBondContact O-N 3.07Å; I401-P405 HydrophobicContact CG2-CB 4.47Å; I401-P405 WeakPolarHBondContact O-CA 3.34Å; I401-P405 WeakPolarHBondContact O-CB 3.38Å; I401-P405 VanDerWaalsContact O-CD 3.31Å; I401-P405 WeakPolarHBondContact O-CD 3.36Å; I401-L410 HydrophobicContact CD1-CB 4.29Å; I401-L410 HydrophobicContact CG1-CB 3.6Å; I401-L410 HydrophobicContact CG1-CD1 3.95Å; I401-L410 HydrophobicContact CG1-CG 4.42Å; I401-F411 HydrophobicContact CG2-CE1 4.5Å; I401-F411 HydrophobicContact CG2-CZ 4.04Å; I401-K414 HydrophobicContact CD1-CB 4.39Å; I401-K414 HydrophobicContact CD1-CD 3.57Å |
| 402 | E | 96.3 | Very high | 97.1 | Very high | 151 Ų | 151 | 46.4 Ų | 46.4 | 71% | 0.706 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -58.3 | -39.6 | 175.2 | -74.9 | 168.6 | -170.1 | 0 | 0 | 111.6 | N398 T399 | N398-E402 WeakPolarHBondContact O-CG 3.46Å; N398-E402 PolarHBondContact O-N 2.98Å; T399-E402 PolarHBondContact O-N 3.45Å |
| 403 | S | 95.3 | Very high | 97.2 | Very high | 70 Ų | 70 | 44 Ų | 44 | 49% | 0.49 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73 | -38.7 | 178.8 | 77.3 | 0 | 0 | 0 | 0 | 113.4 | T399 A400 I401 | T399-S403 PolarHBondContact O-N 3.08Å; T399-S403 VanDerWaalsContact O-N 3.08Å; A400-S403 PolarHBondContact O-N 3.05Å; A400-S403 PolarHBondContact O-OG 3.15Å; I401-S403 VanDerWaalsContact C-N 3.25Å; I401-S403 PolarHBondContact O-N 3.14Å |
| 404 | T | 95.2 | Very high | 97.2 | Very high | 41 Ų | 41 | 44.7 Ų | 44.7 | 25% | 0.252 | 24% | 0.241 | S | C | . | . | trans | -144.4 | 80.7 | -177.2 | 54.9 | 0 | 0 | 0 | 0 | 111.1 | L374 A400 I401 T406 L407 L410 | L374-T404 VanDerWaalsContact CD1-OG1 3.28Å; L374-T404 WeakPolarHBondContact CD1-OG1 3.45Å; L374-T404 HydrophobicContact CD2-CG2 3.89Å; L374-T404 VanDerWaalsContact CD2-OG1 3.26Å; L374-T404 WeakPolarHBondContact CD2-OG1 3.24Å; A400-T404 PolarHBondContact O-N 2.83Å; A400-T404 PolarHBondContact O-OG1 2.65Å; I401-T404 CarbonylContact O-C 3.45Å; I401-T404 VanDerWaalsContact O-C 3.27Å; I401-T404 PolarHBondContact O-N 3.07Å; T404-T406 PolarHBondContact O-N 3.31Å; T404-T406 VanDerWaalsContact O-N 3.07Å; T404-L407 PolarHBondContact O-N 3.19Å; T404-L410 WeakPolarHBondContact O-CD1 3.41Å | ||
| 405 | P | 95.6 | Very high | 97.2 | Very high | 74 Ų | 74 | 44.2 Ų | 44.2 | 48% | 0.481 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -0.2 | -174.2 | 29.3 | -36 | 0 | 0 | 0 | 113.7 | I401 F411 | I401-P405 HydrophobicContact CG2-CB 4.47Å; I401-P405 WeakPolarHBondContact O-CA 3.34Å; I401-P405 WeakPolarHBondContact O-CB 3.38Å; I401-P405 VanDerWaalsContact O-CD 3.31Å; I401-P405 WeakPolarHBondContact O-CD 3.36Å; P405-F411 VanDerWaalsContact O-CE2 3.27Å; P405-F411 WeakPolarHBondContact O-CE2 3.34Å; P405-F411 WeakPolarHBondContact O-CZ 3.34Å |
| 406 | T | 94.2 | Very high | 97.2 | Very high | 109 Ų | 109 | 41.2 Ų | 41.2 | 67% | 0.669 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -7 | -179.2 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | T404 I408 | T404-T406 PolarHBondContact O-N 3.31Å; T404-T406 VanDerWaalsContact O-N 3.07Å; T406-I408 PolarHBondContact O-N 2.87Å |
| 407 | L | 95.8 | Very high | 97.2 | Very high | 34 Ų | 34 | 39.6 Ų | 39.6 | 18% | 0.178 | 22% | 0.217 | C | C | . | . | trans | -87 | 107.3 | -178.3 | -178.4 | 63.9 | 0 | 0 | 0 | 111.1 | L374 W375 T404 E409 L410 F411 | L374-L407 HydrophobicContact CD2-CD2 4.01Å; W375-L407 HydrophobicContact CH2-CD1 4.29Å; W375-L407 HydrophobicContact CH2-CD2 3.86Å; W375-L407 HydrophobicContact CZ2-CD2 4.11Å; W375-L407 HydrophobicContact CZ3-CD2 4.37Å; T404-L407 PolarHBondContact O-N 3.19Å; L407-E409 VanDerWaalsContact C-N 3.3Å; L407-E409 WeakPolarHBondContact CD1-OE2 3.38Å; L407-E409 PolarHBondContact O-N 3.42Å; L407-L410 HydrophobicContact CB-CD1 3.94Å; L407-L410 HydrophobicContact CB-CG 3.92Å; L407-L410 HydrophobicContact CD2-CD1 4.25Å; L407-L410 HydrophobicContact CD2-CD2 3.89Å; L407-L410 HydrophobicContact CD2-CG 3.83Å; L407-L410 HydrophobicContact CG-CD1 4.44Å; L407-L410 HydrophobicContact CG-CD2 4.5Å; L407-L410 HydrophobicContact CG-CG 3.95Å; L407-L410 WeakPolarHBondContact O-CB 3.42Å; L407-L410 WeakPolarHBondContact O-CG 3.3Å; L407-L410 PolarHBondContact O-N 2.97Å; L407-L410 VanDerWaalsContact O-N 3.15Å; L407-F411 WeakPolarHBondContact O-CD2 3.36Å | ||
| 408 | I | 96.9 | Very high | 97.2 | Very high | 33 Ų | 33 | 41.3 Ų | 41.3 | 17% | 0.169 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -38.5 | -173.7 | -59.5 | 91.2 | 0 | 0 | 0 | 112.5 | T406 L410 F411 L412 A434 L437 I444 | T406-I408 PolarHBondContact O-N 2.87Å; I408-L410 PolarHBondContact O-N 3.23Å; I408-L410 VanDerWaalsContact O-N 3.07Å; I408-F411 PolarHBondContact O-N 2.73Å; I408-L412 HydrophobicContact CG2-CG 4.27Å; I408-L412 PolarHBondContact O-N 3.35Å; I408-L412 VanDerWaalsContact O-N 3.16Å; I408-A434 HydrophobicContact CG2-CB 3.98Å; I408-L437 HydrophobicContact CG1-CB 3.89Å; I408-L437 HydrophobicContact CG1-CD1 4.46Å; I408-I444 HydrophobicContact CB-CD1 4.38Å; I408-I444 HydrophobicContact CG1-CD1 4.45Å; I408-I444 HydrophobicContact CG2-CD1 3.59Å; I408-I444 HydrophobicContact CG2-CG1 4.2Å |
| 409 | E | 97.3 | Very high | 97.1 | Very high | 59 Ų | 59 | 42 Ų | 42 | 28% | 0.276 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -57.2 | -27.6 | -178.9 | -75.9 | 82 | 177.9 | 0 | 0 | 113.5 | P323 Y378 L407 L412 V413 | P323-E409 HydrophobicContact CB-CG 4.18Å; P323-E409 HydrophobicContact CG-CG 4.46Å; Y378-E409 HydrophobicContact CE2-CB 3.89Å; Y378-E409 WeakPolarHBondContact CE2-O 3.4Å; L407-E409 VanDerWaalsContact C-N 3.3Å; L407-E409 WeakPolarHBondContact CD1-OE2 3.38Å; L407-E409 PolarHBondContact O-N 3.42Å; E409-L412 PolarHBondContact O-N 2.99Å; E409-V413 PolarHBondContact O-N 3.41Å; E409-V413 VanDerWaalsContact O-N 3.09Å |
| 410 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.5 | -46.4 | 177.4 | -55.3 | -177.5 | 0 | 0 | 0 | 111 | L374 Y378 I397 A400 I401 T404 L407 I408 L412 V413 K414 | L374-L410 HydrophobicContact CD1-CD1 4.25Å; L374-L410 HydrophobicContact CD1-CD2 4.34Å; Y378-L410 HydrophobicContact CD2-CD2 3.58Å; Y378-L410 HydrophobicContact CE2-CD2 4.31Å; Y378-L410 HydrophobicContact CG-CD2 4.36Å; I397-L410 HydrophobicContact CD1-CB 4.19Å; I397-L410 HydrophobicContact CD1-CD2 4.01Å; I397-L410 WeakPolarHBondContact CG1-O 3.14Å; A400-L410 HydrophobicContact CB-CD1 4.11Å; A400-L410 HydrophobicContact CB-CD2 3.95Å; A400-L410 WeakPolarHBondContact O-CD1 3.31Å; I401-L410 HydrophobicContact CD1-CB 4.29Å; I401-L410 HydrophobicContact CG1-CB 3.6Å; I401-L410 HydrophobicContact CG1-CD1 3.95Å; I401-L410 HydrophobicContact CG1-CG 4.42Å; T404-L410 WeakPolarHBondContact O-CD1 3.41Å; L407-L410 HydrophobicContact CB-CD1 3.94Å; L407-L410 HydrophobicContact CB-CG 3.92Å; L407-L410 HydrophobicContact CD2-CD1 4.25Å; L407-L410 HydrophobicContact CD2-CD2 3.89Å; L407-L410 HydrophobicContact CD2-CG 3.83Å; L407-L410 HydrophobicContact CG-CD1 4.44Å; L407-L410 HydrophobicContact CG-CD2 4.5Å; L407-L410 HydrophobicContact CG-CG 3.95Å; L407-L410 WeakPolarHBondContact O-CB 3.42Å; L407-L410 WeakPolarHBondContact O-CG 3.3Å; L407-L410 PolarHBondContact O-N 2.97Å; L407-L410 VanDerWaalsContact O-N 3.15Å; I408-L410 PolarHBondContact O-N 3.23Å; I408-L410 VanDerWaalsContact O-N 3.07Å; L410-L412 VanDerWaalsContact C-N 3.34Å; L410-L412 PolarHBondContact O-N 3.37Å; L410-V413 PolarHBondContact O-N 2.84Å; L410-K414 PolarHBondContact O-N 2.7Å |
| 411 | F | 98.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 43 Ų | 43 | 7% | 0.066 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.3 | -37.5 | 177.3 | -62.3 | -97.5 | 0 | 0 | 0 | 111.6 | I401 P405 L407 I408 V413 K414 A415 W430 E433 A434 L437 | I401-F411 HydrophobicContact CG2-CE1 4.5Å; I401-F411 HydrophobicContact CG2-CZ 4.04Å; P405-F411 VanDerWaalsContact O-CE2 3.27Å; P405-F411 WeakPolarHBondContact O-CE2 3.34Å; P405-F411 WeakPolarHBondContact O-CZ 3.34Å; L407-F411 WeakPolarHBondContact O-CD2 3.36Å; I408-F411 PolarHBondContact O-N 2.73Å; F411-V413 VanDerWaalsContact C-N 3.3Å; F411-V413 PolarHBondContact O-N 2.64Å; F411-K414 PolarHBondContact O-N 2.78Å; F411-A415 WeakPolarHBondContact O-CB 3.46Å; F411-A415 PolarHBondContact O-N 3.15Å; F411-W430 AromaticContact CD1-CE3 3.95Å; F411-W430 HydrophobicContact CD1-CE3 3.95Å; F411-W430 HydrophobicContact CD1-CZ3 4.35Å; F411-W430 HydrophobicContact CE1-CE3 4.38Å; F411-W430 HydrophobicContact CE1-CZ3 4.33Å; F411-E433 HydrophobicContact CD1-CB 4.28Å; F411-A434 HydrophobicContact CB-CB 3.68Å; F411-L437 HydrophobicContact CD2-CD1 3.74Å; F411-L437 HydrophobicContact CE1-CD1 4.49Å; F411-L437 HydrophobicContact CE2-CD1 3.57Å; F411-L437 HydrophobicContact CG-CD1 4.3Å; F411-L437 HydrophobicContact CZ-CD1 3.98Å |
| 412 | L | 97.8 | Very high | 97 | Very high | 29 Ų | 29 | 43 Ų | 43 | 15% | 0.152 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61.5 | -37.5 | 173.8 | -61.2 | -175.9 | 0 | 0 | 0 | 112.5 | I408 E409 L410 K416 M431 A434 F443 I444 | I408-L412 HydrophobicContact CG2-CG 4.27Å; I408-L412 PolarHBondContact O-N 3.35Å; I408-L412 VanDerWaalsContact O-N 3.16Å; E409-L412 PolarHBondContact O-N 2.99Å; L410-L412 VanDerWaalsContact C-N 3.34Å; L410-L412 PolarHBondContact O-N 3.37Å; L412-K416 WeakPolarHBondContact O-CB 3.5Å; L412-K416 PolarHBondContact O-N 3.37Å; L412-K416 VanDerWaalsContact O-N 3.17Å; L412-M431 HydrophobicContact CD2-CE 3.28Å; L412-M431 HydrophobicContact CD2-SD 3.53Å; L412-M431 VanDerWaalsContact CD2-SD 3.53Å; L412-A434 HydrophobicContact CD2-CB 4.06Å; L412-F443 HydrophobicContact CD1-CE1 4.24Å; L412-I444 HydrophobicContact CD2-CG2 4.41Å |
| 413 | V | 98.3 | Very high | 97 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.006 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -73.4 | -43.3 | 175.8 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Y378 A381 Q382 I397 E409 L410 F411 A415 K416 I417 | Y378-V413 HydrophobicContact CD2-CG2 4.23Å; Y378-V413 HydrophobicContact CE2-CB 4.2Å; Y378-V413 HydrophobicContact CE2-CG2 3.37Å; A381-V413 HydrophobicContact CB-CG1 4.13Å; Q382-V413 HydrophobicContact CG-CG1 3.92Å; Q382-V413 HydrophobicContact CG-CG2 3.67Å; Q382-V413 VanDerWaalsContact NE2-CG2 3.29Å; I397-V413 HydrophobicContact CD1-CB 3.92Å; I397-V413 HydrophobicContact CD1-CG1 3.81Å; I397-V413 HydrophobicContact CG1-CB 4.34Å; I397-V413 HydrophobicContact CG1-CG1 4.15Å; E409-V413 PolarHBondContact O-N 3.41Å; E409-V413 VanDerWaalsContact O-N 3.09Å; L410-V413 PolarHBondContact O-N 2.84Å; F411-V413 VanDerWaalsContact C-N 3.3Å; F411-V413 PolarHBondContact O-N 2.64Å; V413-A415 PolarHBondContact O-N 3.2Å; V413-K416 CarbonylContact O-C 3.59Å; V413-K416 WeakPolarHBondContact O-CA 3.29Å; V413-K416 WeakPolarHBondContact O-CB 3.22Å; V413-K416 PolarHBondContact O-N 3.32Å; V413-I417 HydrophobicContact CG1-CD1 3.85Å; V413-I417 HydrophobicContact CG1-CG1 4.31Å; V413-I417 WeakPolarHBondContact O-CG1 3.39Å; V413-I417 PolarHBondContact O-N 3.17Å |
| 414 | K | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 34.6 Ų | 34.6 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 176 | -168.6 | 166.2 | -177.8 | 179.9 | 0 | 112 | L394 I397 N398 I401 L410 F411 K416 I417 Y418 W430 | L394-K414 HydrophobicContact CD2-CG 4.28Å; I397-K414 HydrophobicContact CG1-CB 4.24Å; I397-K414 HydrophobicContact CG2-CB 4.11Å; I397-K414 HydrophobicContact CG2-CD 4.25Å; I397-K414 HydrophobicContact CG2-CG 4.08Å; N398-K414 WeakPolarHBondContact OD1-CE 3.31Å; N398-K414 PolarHBondContact OD1-NZ 2.98Å; I401-K414 HydrophobicContact CD1-CB 4.39Å; I401-K414 HydrophobicContact CD1-CD 3.57Å; L410-K414 PolarHBondContact O-N 2.7Å; F411-K414 PolarHBondContact O-N 2.78Å; K414-K416 VanDerWaalsContact C-N 3.28Å; K414-K416 PolarHBondContact O-N 3.01Å; K414-I417 PolarHBondContact O-N 3.18Å; K414-Y418 HydrophobicContact CG-CD2 4.23Å; K414-Y418 HydrophobicContact CG-CE2 4.02Å; K414-Y418 WeakPolarHBondContact O-CD2 3.4Å; K414-Y418 PolarHBondContact O-N 3.49Å; K414-Y418 VanDerWaalsContact O-N 3.17Å; K414-W430 HydrophobicContact CB-CG 4.49Å; K414-W430 HydrophobicContact CD-CD2 3.68Å; K414-W430 HydrophobicContact CD-CE3 3.82Å; K414-W430 HydrophobicContact CD-CG 4.29Å; K414-W430 HydrophobicContact CD-CH2 4.19Å; K414-W430 HydrophobicContact CD-CZ2 4.05Å; K414-W430 HydrophobicContact CD-CZ3 4.06Å; K414-W430 HydrophobicContact CG-CD2 3.97Å; K414-W430 HydrophobicContact CG-CG 4.05Å |
| 415 | A | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57 | -41.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F411 V413 K419 A427 W430 M431 Y451 | F411-A415 WeakPolarHBondContact O-CB 3.46Å; F411-A415 PolarHBondContact O-N 3.15Å; V413-A415 PolarHBondContact O-N 3.2Å; A415-K419 WeakPolarHBondContact O-CB 3.22Å; A415-K419 PolarHBondContact O-N 3.36Å; A415-A427 VanDerWaalsContact CB-O 3.3Å; A415-A427 WeakPolarHBondContact CB-O 3.45Å; A415-A427 WeakPolarHBondContact O-CB 3.47Å; A415-W430 HydrophobicContact CB-CB 3.81Å; A415-M431 HydrophobicContact CB-CG 3.65Å; A415-M431 HydrophobicContact CB-SD 3.79Å; A415-Y451 HydrophobicContact CB-CD1 4.43Å; A415-Y451 HydrophobicContact CB-CE1 3.94Å |
| 416 | K | 98.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 35.3 Ų | 35.3 | 30% | 0.296 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -65.7 | -39.2 | 179.4 | -171.9 | -172.6 | -62.4 | 155.9 | 0 | 112.4 | L412 V413 K414 K419 H420 | L412-K416 WeakPolarHBondContact O-CB 3.5Å; L412-K416 PolarHBondContact O-N 3.37Å; L412-K416 VanDerWaalsContact O-N 3.17Å; V413-K416 CarbonylContact O-C 3.59Å; V413-K416 WeakPolarHBondContact O-CA 3.29Å; V413-K416 WeakPolarHBondContact O-CB 3.22Å; V413-K416 PolarHBondContact O-N 3.32Å; K414-K416 VanDerWaalsContact C-N 3.28Å; K414-K416 PolarHBondContact O-N 3.01Å; K416-K419 WeakPolarHBondContact O-CB 3.36Å; K416-K419 PolarHBondContact O-N 3.25Å; K416-H420 PolarHBondContact O-N 3.37Å |
| 417 | I | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.8 | -53.8 | 176.7 | -65.7 | 160.3 | 0 | 0 | 0 | 109.7 | D385 P390 A393 L394 I397 V413 K414 K419 H420 A421 | D385-I417 HydrophobicContact CB-CG1 3.88Å; P390-I417 HydrophobicContact CB-CG2 3.95Å; A393-I417 HydrophobicContact CB-CD1 3.77Å; A393-I417 HydrophobicContact CB-CG1 4.09Å; A393-I417 HydrophobicContact CB-CG2 4.29Å; L394-I417 HydrophobicContact CD1-CG2 4.48Å; L394-I417 HydrophobicContact CD2-CB 4.47Å; L394-I417 HydrophobicContact CD2-CG2 4.05Å; L394-I417 HydrophobicContact CG-CG2 3.87Å; I397-I417 HydrophobicContact CB-CD1 4.29Å; I397-I417 HydrophobicContact CG2-CD1 4.02Å; V413-I417 HydrophobicContact CG1-CD1 3.85Å; V413-I417 HydrophobicContact CG1-CG1 4.31Å; V413-I417 WeakPolarHBondContact O-CG1 3.39Å; V413-I417 PolarHBondContact O-N 3.17Å; K414-I417 PolarHBondContact O-N 3.18Å; I417-K419 VanDerWaalsContact C-N 3.27Å; I417-K419 PolarHBondContact O-N 3.17Å; I417-H420 PolarHBondContact O-N 3.25Å; I417-A421 WeakPolarHBondContact O-CB 3.49Å; I417-A421 PolarHBondContact O-N 3.45Å |
| 418 | Y | 98.2 | Very high | 97.3 | Very high | 37 Ų | 37 | 28.5 Ų | 28.5 | 15% | 0.145 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -58 | -39.4 | 177.4 | -80.3 | -71.3 | 0 | 0 | 0 | 112.7 | L394 K414 H420 A421 G422 N423 E426 W430 Y834 | L394-Y418 HydrophobicContact CD1-CE1 4.28Å; L394-Y418 HydrophobicContact CD2-CD2 4.19Å; L394-Y418 HydrophobicContact CD2-CE2 3.58Å; K414-Y418 HydrophobicContact CG-CD2 4.23Å; K414-Y418 HydrophobicContact CG-CE2 4.02Å; K414-Y418 WeakPolarHBondContact O-CD2 3.4Å; K414-Y418 PolarHBondContact O-N 3.49Å; K414-Y418 VanDerWaalsContact O-N 3.17Å; Y418-H420 PolarHBondContact O-N 3.08Å; Y418-A421 CarbonylContact O-C 3.14Å; Y418-A421 PolarHBondContact O-N 3.31Å; Y418-G422 PolarHBondContact O-N 3.18Å; Y418-N423 CarbonylContact C-O 3.59Å; Y418-N423 HydrophobicContact CD1-CB 4.25Å; Y418-N423 PolarHBondContact O-N 3.36Å; Y418-E426 HydrophobicContact CD1-CB 4.18Å; Y418-E426 HydrophobicContact CD1-CG 3.71Å; Y418-E426 HydrophobicContact CD2-CG 3.96Å; Y418-E426 HydrophobicContact CE1-CG 3.77Å; Y418-E426 HydrophobicContact CE2-CG 4.01Å; Y418-E426 HydrophobicContact CG-CB 4.28Å; Y418-E426 HydrophobicContact CG-CG 3.81Å; Y418-W430 AromaticContact CD2-CD1 3.56Å; Y418-W430 AromaticContact CD2-NE1 3.62Å; Y418-W430 AromaticContact CE2-CD1 3.78Å; Y418-W430 AromaticContact CE2-NE1 3.33Å; Y418-W430 VanDerWaalsContact CE2-NE1 3.33Å; Y418-Y834 HydrophobicContact CE1-CD1 4.41Å |
| 419 | K | 97.6 | Very high | 97.3 | Very high | 64 Ų | 64 | 30.1 Ų | 30.1 | 28% | 0.278 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175 | -176.8 | -142.5 | 68.8 | -168.8 | 0 | 112.3 | A415 K416 I417 I424 A427 Y451 | A415-K419 WeakPolarHBondContact O-CB 3.22Å; A415-K419 PolarHBondContact O-N 3.36Å; K416-K419 WeakPolarHBondContact O-CB 3.36Å; K416-K419 PolarHBondContact O-N 3.25Å; I417-K419 VanDerWaalsContact C-N 3.27Å; I417-K419 PolarHBondContact O-N 3.17Å; K419-I424 HydrophobicContact CB-CD1 4.28Å; K419-I424 HydrophobicContact CG-CD1 3.71Å; K419-A427 HydrophobicContact CB-CB 3.96Å; K419-Y451 HydrophobicContact CB-CE1 3.94Å; K419-Y451 HydrophobicContact CD-CE1 4.2Å; K419-Y451 HydrophobicContact CG-CE1 4.26Å |
| 420 | H | 96.8 | Very high | 97.3 | Very high | 75 Ų | 75 | 28.8 Ų | 28.8 | 35% | 0.347 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -72.7 | -30.9 | 175.8 | -66.2 | 153.3 | 0 | 0 | 0 | 112.8 | D385 K416 I417 Y418 G422 L799 | D385-H420 IonicContact OD1-CE1 3.53Å; D385-H420 IonicContact OD1-CG 3.82Å; D385-H420 IonicContact OD1-ND1 2.65Å; D385-H420 PolarHBondContact OD1-ND1 3.39Å; D385-H420 IonicContact OD2-CE1 2.81Å; D385-H420 PolarHBondContact OD2-CE1 2.93Å; D385-H420 VanDerWaalsContact OD2-CE1 3.24Å; D385-H420 IonicContact OD2-ND1 3.76Å; D385-H420 PolarHBondContact OD2-ND1 2.91Å; K416-H420 PolarHBondContact O-N 3.37Å; I417-H420 PolarHBondContact O-N 3.25Å; Y418-H420 PolarHBondContact O-N 3.08Å; H420-G422 PolarHBondContact O-N 3.36Å; H420-L799 VanDerWaalsContact O-CD2 3.29Å; H420-L799 WeakPolarHBondContact O-CD2 3.29Å |
| 421 | A | 96.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 28.9 Ų | 28.9 | 6% | 0.058 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.1 | -7.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | P390 I417 Y418 Y834 A835 | P390-A421 HydrophobicContact CB-CB 3.93Å; P390-A421 HydrophobicContact CG-CB 3.95Å; I417-A421 WeakPolarHBondContact O-CB 3.49Å; I417-A421 PolarHBondContact O-N 3.45Å; Y418-A421 CarbonylContact O-C 3.14Å; Y418-A421 PolarHBondContact O-N 3.31Å; A421-Y834 HydrophobicContact CB-CD2 4.06Å; A421-Y834 HydrophobicContact CB-CG 4.2Å; A421-Y834 CarbonylContact O-C 3.57Å; A421-A835 WeakPolarHBondContact O-CA 3.39Å; A421-A835 PolarHBondContact O-N 3.11Å |
| 422 | G | 95.6 | Very high | 97.2 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 20% | 0.196 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.2 | 11.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y418 H420 L799 L836 | Y418-G422 PolarHBondContact O-N 3.18Å; H420-G422 PolarHBondContact O-N 3.36Å; G422-L799 VanDerWaalsContact CA-CD2 3.45Å; G422-L836 PolarHBondContact O-N 3.09Å; G422-L836 VanDerWaalsContact O-N 3.09Å |
| 423 | N | 96.9 | Very high | 97.1 | Very high | 10 Ų | 10 | 28.9 Ų | 28.9 | 5% | 0.053 | 13% | 0.133 | C | C | . | . | trans | -108.2 | 88.8 | 171.6 | -161.7 | -27.6 | 0 | 0 | 0 | 111.1 | Y418 K425 E426 A427 Y834 L836 E845 | Y418-N423 CarbonylContact C-O 3.59Å; Y418-N423 HydrophobicContact CD1-CB 4.25Å; Y418-N423 PolarHBondContact O-N 3.36Å; N423-K425 PolarHBondContact OD1-N 3.25Å; N423-E426 HydrophobicContact CB-CB 4.13Å; N423-E426 VanDerWaalsContact CG-CB 3.45Å; N423-E426 WeakPolarHBondContact OD1-CB 3.33Å; N423-E426 PolarHBondContact OD1-N 3.15Å; N423-A427 WeakPolarHBondContact O-CB 3.38Å; N423-A427 PolarHBondContact O-N 3.14Å; N423-Y834 WeakPolarHBondContact CB-O 3.47Å; N423-L836 HydrophobicContact CB-CG 4.38Å; N423-E845 PolarHBondContact ND2-OE1 2.8Å | ||
| 424 | I | 96.6 | Very high | 97 | Very high | 35 Ų | 35 | 28.9 Ų | 28.9 | 18% | 0.179 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -75.4 | -26.4 | -179.1 | -167.3 | 61.3 | 0 | 0 | 0 | 113.2 | K419 A427 A428 Y451 K454 A455 | K419-I424 HydrophobicContact CB-CD1 4.28Å; K419-I424 HydrophobicContact CG-CD1 3.71Å; I424-A427 HydrophobicContact CD1-CB 4.4Å; I424-A428 PolarHBondContact O-N 3.31Å; I424-Y451 HydrophobicContact CD1-CD1 4.33Å; I424-K454 HydrophobicContact CD1-CB 3.7Å; I424-K454 HydrophobicContact CD1-CD 4.28Å; I424-K454 HydrophobicContact CG1-CB 3.61Å; I424-A455 HydrophobicContact CG1-CB 4.17Å; I424-A455 HydrophobicContact CG2-CB 4Å |
| 425 | K | 94.9 | Very high | 97 | Very high | 102 Ų | 102 | 28.1 Ų | 28.1 | 44% | 0.443 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -69.8 | -50.8 | 179.5 | -68.4 | -178.2 | 178.2 | -179.2 | 0 | 110.1 | N423 A427 A428 R429 A455 L836 E845 | N423-K425 PolarHBondContact OD1-N 3.25Å; K425-A427 VanDerWaalsContact C-N 3.26Å; K425-A427 PolarHBondContact O-N 3.13Å; K425-A428 WeakPolarHBondContact O-CB 3.29Å; K425-A428 PolarHBondContact O-N 3.21Å; K425-R429 PolarHBondContact O-N 3.06Å; K425-A455 HydrophobicContact CG-CB 4.4Å; K425-L836 HydrophobicContact CB-CD1 4.39Å; K425-L836 HydrophobicContact CD-CD1 4.13Å; K425-L836 HydrophobicContact CG-CD1 4.05Å; K425-E845 WeakPolarHBondContact CD-OE2 3.25Å |
| 426 | E | 95.9 | Very high | 96.9 | Very high | 29 Ų | 29 | 30.3 Ų | 30.3 | 14% | 0.136 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -60.3 | -39.6 | 174.1 | -174.3 | 59 | -163.7 | 0 | 0 | 111.3 | Y418 N423 A428 R429 W430 | Y418-E426 HydrophobicContact CD1-CB 4.18Å; Y418-E426 HydrophobicContact CD1-CG 3.71Å; Y418-E426 HydrophobicContact CD2-CG 3.96Å; Y418-E426 HydrophobicContact CE1-CG 3.77Å; Y418-E426 HydrophobicContact CE2-CG 4.01Å; Y418-E426 HydrophobicContact CG-CB 4.28Å; Y418-E426 HydrophobicContact CG-CG 3.81Å; N423-E426 HydrophobicContact CB-CB 4.13Å; N423-E426 VanDerWaalsContact CG-CB 3.45Å; N423-E426 WeakPolarHBondContact OD1-CB 3.33Å; N423-E426 PolarHBondContact OD1-N 3.15Å; E426-A428 VanDerWaalsContact C-N 3.29Å; E426-A428 PolarHBondContact O-N 3.37Å; E426-R429 WeakPolarHBondContact O-CB 3.39Å; E426-R429 PolarHBondContact O-N 3.43Å; E426-W430 PolarHBondContact O-N 3.23Å; E426-W430 PolarHBondContact OE1-NE1 3.08Å |
| 427 | A | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.6 | -36 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | A415 K419 N423 I424 K425 M431 Y451 | A415-A427 VanDerWaalsContact CB-O 3.3Å; A415-A427 WeakPolarHBondContact CB-O 3.45Å; A415-A427 WeakPolarHBondContact O-CB 3.47Å; K419-A427 HydrophobicContact CB-CB 3.96Å; N423-A427 WeakPolarHBondContact O-CB 3.38Å; N423-A427 PolarHBondContact O-N 3.14Å; I424-A427 HydrophobicContact CD1-CB 4.4Å; K425-A427 VanDerWaalsContact C-N 3.26Å; K425-A427 PolarHBondContact O-N 3.13Å; A427-M431 WeakPolarHBondContact O-CG 3.32Å; A427-M431 PolarHBondContact O-N 3.36Å; A427-Y451 HydrophobicContact CB-CD1 3.73Å; A427-Y451 HydrophobicContact CB-CE1 3.9Å |
| 428 | A | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.3 | -36.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | I424 K425 E426 M431 D432 M452 I849 | I424-A428 PolarHBondContact O-N 3.31Å; K425-A428 WeakPolarHBondContact O-CB 3.29Å; K425-A428 PolarHBondContact O-N 3.21Å; E426-A428 VanDerWaalsContact C-N 3.29Å; E426-A428 PolarHBondContact O-N 3.37Å; A428-M431 WeakPolarHBondContact O-CB 3.41Å; A428-M431 PolarHBondContact O-N 3.39Å; A428-D432 PolarHBondContact O-N 3.08Å; A428-M452 HydrophobicContact CB-CG 4.43Å; A428-I849 HydrophobicContact CB-CD1 4.44Å |
| 429 | R | 96.1 | Very high | 96.5 | Very high | 66 Ų | 66 | 36.4 Ų | 36.4 | 25% | 0.249 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.9 | -53.4 | 172.7 | 178.3 | -166.9 | 168.9 | 155.8 | 6.2 | 111.7 | K425 E426 M431 D432 E433 M847 | K425-R429 PolarHBondContact O-N 3.06Å; E426-R429 WeakPolarHBondContact O-CB 3.39Å; E426-R429 PolarHBondContact O-N 3.43Å; R429-M431 PolarHBondContact O-N 3.28Å; R429-D432 WeakPolarHBondContact O-CA 3.14Å; R429-D432 WeakPolarHBondContact O-CB 3.42Å; R429-D432 PolarHBondContact O-N 3.18Å; R429-E433 IonicContact CZ-OE1 2.87Å; R429-E433 IonicContact NE-OE1 3.15Å; R429-E433 PolarHBondContact NE-OE1 2.97Å; R429-E433 IonicContact NH2-OE1 3.94Å; R429-E433 PolarHBondContact O-N 3.04Å; R429-M847 PolarHBondContact NH1-SD 3.14Å; R429-M847 VanDerWaalsContact NH1-SD 3.43Å |
| 430 | W | 97.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 37.1 Ų | 37.1 | 12% | 0.117 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -30 | 178.8 | -67.8 | 110.1 | 0 | 0 | 0 | 112.8 | F411 K414 A415 Y418 E426 E433 A434 | F411-W430 AromaticContact CD1-CE3 3.95Å; F411-W430 HydrophobicContact CD1-CE3 3.95Å; F411-W430 HydrophobicContact CD1-CZ3 4.35Å; F411-W430 HydrophobicContact CE1-CE3 4.38Å; F411-W430 HydrophobicContact CE1-CZ3 4.33Å; K414-W430 HydrophobicContact CB-CG 4.49Å; K414-W430 HydrophobicContact CD-CD2 3.68Å; K414-W430 HydrophobicContact CD-CE3 3.82Å; K414-W430 HydrophobicContact CD-CG 4.29Å; K414-W430 HydrophobicContact CD-CH2 4.19Å; K414-W430 HydrophobicContact CD-CZ2 4.05Å; K414-W430 HydrophobicContact CD-CZ3 4.06Å; K414-W430 HydrophobicContact CG-CD2 3.97Å; K414-W430 HydrophobicContact CG-CG 4.05Å; A415-W430 HydrophobicContact CB-CB 3.81Å; Y418-W430 AromaticContact CD2-CD1 3.56Å; Y418-W430 AromaticContact CD2-NE1 3.62Å; Y418-W430 AromaticContact CE2-CD1 3.78Å; Y418-W430 AromaticContact CE2-NE1 3.33Å; Y418-W430 VanDerWaalsContact CE2-NE1 3.33Å; E426-W430 PolarHBondContact O-N 3.23Å; E426-W430 PolarHBondContact OE1-NE1 3.08Å; W430-E433 WeakPolarHBondContact CZ3-OE2 3.22Å; W430-A434 WeakPolarHBondContact O-CB 3.17Å; W430-A434 PolarHBondContact O-N 2.88Å |
| 431 | M | 97.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.8 | -32 | 172 | -77.2 | -57.6 | -36.3 | 0 | 0 | 113.4 | L412 A415 A427 A428 R429 A434 Q435 I444 K447 C448 Y451 | L412-M431 HydrophobicContact CD2-CE 3.28Å; L412-M431 HydrophobicContact CD2-SD 3.53Å; L412-M431 VanDerWaalsContact CD2-SD 3.53Å; A415-M431 HydrophobicContact CB-CG 3.65Å; A415-M431 HydrophobicContact CB-SD 3.79Å; A427-M431 WeakPolarHBondContact O-CG 3.32Å; A427-M431 PolarHBondContact O-N 3.36Å; A428-M431 WeakPolarHBondContact O-CB 3.41Å; A428-M431 PolarHBondContact O-N 3.39Å; R429-M431 PolarHBondContact O-N 3.28Å; M431-A434 HydrophobicContact CE-CB 4.49Å; M431-A434 WeakPolarHBondContact O-CB 3.25Å; M431-Q435 WeakPolarHBondContact O-CB 3.45Å; M431-Q435 PolarHBondContact O-N 2.87Å; M431-I444 HydrophobicContact CE-CG2 4.23Å; M431-K447 HydrophobicContact CE-CB 3.28Å; M431-K447 HydrophobicContact CE-CG 4.35Å; M431-K447 HydrophobicContact SD-CB 4.19Å; M431-C448 HydrophobicContact CB-CB 4.11Å; M431-C448 HydrophobicContact CE-CB 4.43Å; M431-Y451 HydrophobicContact CG-CD1 3.57Å; M431-Y451 HydrophobicContact CG-CD2 4.14Å; M431-Y451 HydrophobicContact CG-CE1 3.97Å; M431-Y451 HydrophobicContact CG-CG 3.65Å |
| 432 | D | 96.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 41.9 Ų | 41.9 | 3% | 0.027 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -72.7 | -42.1 | 175.9 | -164.5 | 37 | 0 | 0 | 0 | 111 | A428 R429 A434 Q435 A436 M452 M464 G853 | A428-D432 PolarHBondContact O-N 3.08Å; R429-D432 WeakPolarHBondContact O-CA 3.14Å; R429-D432 WeakPolarHBondContact O-CB 3.42Å; R429-D432 PolarHBondContact O-N 3.18Å; D432-A434 VanDerWaalsContact C-N 3.32Å; D432-A434 PolarHBondContact O-N 3.43Å; D432-Q435 CarbonylContact O-C 3.48Å; D432-Q435 WeakPolarHBondContact O-CA 3.42Å; D432-Q435 WeakPolarHBondContact O-CB 3.46Å; D432-Q435 PolarHBondContact O-N 3.12Å; D432-A436 PolarHBondContact O-N 3.44Å; D432-M452 HydrophobicContact CB-CE 4.31Å; D432-M464 WeakPolarHBondContact OD1-CE 3.42Å; D432-G853 PolarHBondContact OD2-N 2.71Å |
| 433 | E | 95.9 | Very high | 96.7 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 19% | 0.187 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.3 | -43.2 | 170.6 | -68 | -178.7 | -155.8 | 0 | 0 | 111.3 | F411 R429 W430 Q435 A436 L437 | F411-E433 HydrophobicContact CD1-CB 4.28Å; R429-E433 IonicContact CZ-OE1 2.87Å; R429-E433 IonicContact NE-OE1 3.15Å; R429-E433 PolarHBondContact NE-OE1 2.97Å; R429-E433 IonicContact NH2-OE1 3.94Å; R429-E433 PolarHBondContact O-N 3.04Å; W430-E433 WeakPolarHBondContact CZ3-OE2 3.22Å; E433-Q435 VanDerWaalsContact C-N 3.29Å; E433-Q435 PolarHBondContact O-N 3.35Å; E433-A436 PolarHBondContact O-N 3.35Å; E433-L437 PolarHBondContact O-N 3.01Å |
| 434 | A | 96.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I408 F411 L412 W430 M431 D432 I444 | I408-A434 HydrophobicContact CG2-CB 3.98Å; F411-A434 HydrophobicContact CB-CB 3.68Å; L412-A434 HydrophobicContact CD2-CB 4.06Å; W430-A434 WeakPolarHBondContact O-CB 3.17Å; W430-A434 PolarHBondContact O-N 2.88Å; M431-A434 HydrophobicContact CE-CB 4.49Å; M431-A434 WeakPolarHBondContact O-CB 3.25Å; D432-A434 VanDerWaalsContact C-N 3.32Å; D432-A434 PolarHBondContact O-N 3.43Å; A434-I444 HydrophobicContact CB-CG2 4.09Å |
| 435 | Q | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -70.1 | -37.9 | 179 | -168.9 | -78.5 | -73.3 | 0 | 0 | 111.6 | M431 D432 E433 L437 D438 T439 I444 N445 C448 M464 | M431-Q435 WeakPolarHBondContact O-CB 3.45Å; M431-Q435 PolarHBondContact O-N 2.87Å; D432-Q435 CarbonylContact O-C 3.48Å; D432-Q435 WeakPolarHBondContact O-CA 3.42Å; D432-Q435 WeakPolarHBondContact O-CB 3.46Å; D432-Q435 PolarHBondContact O-N 3.12Å; E433-Q435 VanDerWaalsContact C-N 3.29Å; E433-Q435 PolarHBondContact O-N 3.35Å; Q435-L437 VanDerWaalsContact C-N 3.27Å; Q435-L437 PolarHBondContact O-N 3.07Å; Q435-D438 CarbonylContact O-C 3.25Å; Q435-D438 PolarHBondContact O-N 3.15Å; Q435-D438 VanDerWaalsContact O-O 3.05Å; Q435-T439 PolarHBondContact O-N 3.26Å; Q435-I444 HydrophobicContact CB-CG2 4.04Å; Q435-N445 HydrophobicContact CG-CB 4.3Å; Q435-C448 HydrophobicContact CB-CB 4.22Å; Q435-C448 HydrophobicContact CG-CB 4.42Å; Q435-M464 HydrophobicContact CG-CE 4.28Å; Q435-M464 HydrophobicContact CG-SD 3.75Å; Q435-M464 VanDerWaalsContact OE1-CE 3.31Å; Q435-M464 PolarHBondContact OE1-SD 2.72Å |
| 436 | A | 96.4 | Very high | 97 | Very high | 45 Ų | 45 | 41.2 Ų | 41.2 | 37% | 0.372 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.3 | -30.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D432 E433 D438 | D432-A436 PolarHBondContact O-N 3.44Å; E433-A436 PolarHBondContact O-N 3.35Å; A436-D438 VanDerWaalsContact C-N 3.32Å; A436-D438 PolarHBondContact O-N 3.32Å |
| 437 | L | 95.8 | Very high | 97.1 | Very high | 79 Ų | 79 | 43 Ų | 43 | 41% | 0.414 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.5 | -30 | 175.8 | -75.1 | 159.9 | 0 | 0 | 0 | 113.4 | I408 F411 E433 Q435 | I408-L437 HydrophobicContact CG1-CB 3.89Å; I408-L437 HydrophobicContact CG1-CD1 4.46Å; F411-L437 HydrophobicContact CD2-CD1 3.74Å; F411-L437 HydrophobicContact CE1-CD1 4.49Å; F411-L437 HydrophobicContact CE2-CD1 3.57Å; F411-L437 HydrophobicContact CG-CD1 4.3Å; F411-L437 HydrophobicContact CZ-CD1 3.98Å; E433-L437 PolarHBondContact O-N 3.01Å; Q435-L437 VanDerWaalsContact C-N 3.27Å; Q435-L437 PolarHBondContact O-N 3.07Å |
| 438 | D | 96.1 | Very high | 97.1 | Very high | 60 Ų | 60 | 43 Ų | 43 | 32% | 0.321 | 23% | 0.226 | S | C | . | . | trans | -141.9 | 93.1 | 174.4 | -170.4 | -12.7 | 0 | 0 | 0 | 111 | Q435 A436 A440 D441 I444 | Q435-D438 CarbonylContact O-C 3.25Å; Q435-D438 PolarHBondContact O-N 3.15Å; Q435-D438 VanDerWaalsContact O-O 3.05Å; A436-D438 VanDerWaalsContact C-N 3.32Å; A436-D438 PolarHBondContact O-N 3.32Å; D438-A440 PolarHBondContact O-N 2.77Å; D438-A440 PolarHBondContact OD1-N 3.32Å; D438-D441 PolarHBondContact OD1-N 2.91Å; D438-I444 HydrophobicContact CB-CD1 4.22Å | ||
| 439 | T | 95.7 | Very high | 97.2 | Very high | 95 Ų | 95 | 43 Ų | 43 | 58% | 0.583 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -10.1 | -179.2 | 57.3 | 0 | 0 | 0 | 0 | 113.9 | Q435 F468 | Q435-T439 PolarHBondContact O-N 3.26Å; T439-F468 WeakPolarHBondContact O-CZ 3.29Å |
| 440 | A | 97 | Very high | 97.3 | Very high | 79 Ų | 79 | 42.3 Ų | 42.3 | 65% | 0.653 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | -24.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D438 R442 F468 | D438-A440 PolarHBondContact O-N 2.77Å; D438-A440 PolarHBondContact OD1-N 3.32Å; A440-R442 PolarHBondContact O-N 3.41Å; A440-F468 WeakPolarHBondContact O-CE1 3.24Å |
| 441 | D | 97.4 | Very high | 97.3 | Very high | 59 Ų | 59 | 41.4 Ų | 41.4 | 32% | 0.316 | 22% | 0.222 | S | C | . | . | trans | -82.3 | 109.5 | -177.5 | -172.3 | -4.4 | 0 | 0 | 0 | 113.3 | D438 F443 I444 N445 | D438-D441 PolarHBondContact OD1-N 2.91Å; D441-F443 VanDerWaalsContact C-N 3.28Å; D441-F443 PolarHBondContact O-N 3.1Å; D441-F443 VanDerWaalsContact OD1-CB 3.28Å; D441-F443 WeakPolarHBondContact OD1-CB 3.36Å; D441-F443 PolarHBondContact OD1-N 3.17Å; D441-I444 HydrophobicContact CB-CD1 3.91Å; D441-I444 HydrophobicContact CB-CG1 4.38Å; D441-I444 PolarHBondContact O-N 2.89Å; D441-I444 WeakPolarHBondContact OD2-CD1 3.43Å; D441-N445 PolarHBondContact O-N 3.36Å | ||
| 442 | R | 97.9 | Very high | 97.4 | Very high | 123 Ų | 123 | 41.3 Ų | 41.3 | 46% | 0.464 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -64.6 | -26 | 176.7 | -164.5 | 174.6 | -173.3 | -179 | 6 | 113.6 | A440 S446 F468 | A440-R442 PolarHBondContact O-N 3.41Å; R442-S446 VanDerWaalsContact O-CB 3.29Å; R442-S446 WeakPolarHBondContact O-CB 3.33Å; R442-S446 PolarHBondContact O-N 3.24Å; R442-S446 PolarHBondContact O-OG 3.42Å; R442-F468 HydrophobicContact CB-CD1 3.87Å; R442-F468 HydrophobicContact CB-CE1 3.75Å; R442-F468 HydrophobicContact CB-CG 4.33Å; R442-F468 HydrophobicContact CB-CZ 4.13Å; R442-F468 HydrophobicContact CG-CB 4.27Å; R442-F468 HydrophobicContact CG-CD1 3.83Å; R442-F468 HydrophobicContact CG-CD2 4.28Å; R442-F468 HydrophobicContact CG-CE1 4.2Å; R442-F468 HydrophobicContact CG-CG 3.87Å |
| 443 | F | 97.9 | Very high | 97.4 | Very high | 112 Ų | 112 | 41.1 Ų | 41.1 | 49% | 0.491 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.5 | -47.8 | 177.8 | 170 | -97.5 | 0 | 0 | 0 | 111.1 | L412 D441 S446 K447 | L412-F443 HydrophobicContact CD1-CE1 4.24Å; D441-F443 VanDerWaalsContact C-N 3.28Å; D441-F443 PolarHBondContact O-N 3.1Å; D441-F443 VanDerWaalsContact OD1-CB 3.28Å; D441-F443 WeakPolarHBondContact OD1-CB 3.36Å; D441-F443 PolarHBondContact OD1-N 3.17Å; F443-S446 PolarHBondContact O-N 3.3Å; F443-K447 HydrophobicContact CE1-CG 4.19Å; F443-K447 HydrophobicContact CE2-CG 4.46Å; F443-K447 HydrophobicContact CZ-CD 4.47Å; F443-K447 HydrophobicContact CZ-CG 4.16Å; F443-K447 WeakPolarHBondContact O-CG 3.48Å; F443-K447 PolarHBondContact O-N 3.38Å |
| 444 | I | 97.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 42.7 Ų | 42.7 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -44.4 | 179.5 | -58.6 | 160.6 | 0 | 0 | 0 | 109.6 | I408 L412 M431 A434 Q435 D438 D441 S446 K447 C448 | I408-I444 HydrophobicContact CB-CD1 4.38Å; I408-I444 HydrophobicContact CG1-CD1 4.45Å; I408-I444 HydrophobicContact CG2-CD1 3.59Å; I408-I444 HydrophobicContact CG2-CG1 4.2Å; L412-I444 HydrophobicContact CD2-CG2 4.41Å; M431-I444 HydrophobicContact CE-CG2 4.23Å; A434-I444 HydrophobicContact CB-CG2 4.09Å; Q435-I444 HydrophobicContact CB-CG2 4.04Å; D438-I444 HydrophobicContact CB-CD1 4.22Å; D441-I444 HydrophobicContact CB-CD1 3.91Å; D441-I444 HydrophobicContact CB-CG1 4.38Å; D441-I444 PolarHBondContact O-N 2.89Å; D441-I444 WeakPolarHBondContact OD2-CD1 3.43Å; I444-S446 VanDerWaalsContact C-N 3.33Å; I444-S446 PolarHBondContact O-N 3.05Å; I444-K447 WeakPolarHBondContact O-CB 3.42Å; I444-K447 PolarHBondContact O-N 3.07Å; I444-K447 VanDerWaalsContact O-N 3.12Å; I444-C448 WeakPolarHBondContact O-CB 3.36Å; I444-C448 PolarHBondContact O-N 3.38Å |
| 445 | N | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.011 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.6 | -47.6 | 172.7 | -180 | -82.1 | 0 | 0 | 0 | 112.4 | Q435 D441 K447 C448 A449 M464 F468 | Q435-N445 HydrophobicContact CG-CB 4.3Å; D441-N445 PolarHBondContact O-N 3.36Å; N445-K447 VanDerWaalsContact C-N 3.35Å; N445-K447 PolarHBondContact O-N 3.25Å; N445-C448 WeakPolarHBondContact O-CB 3.26Å; N445-C448 PolarHBondContact O-N 2.99Å; N445-A449 PolarHBondContact O-N 2.84Å; N445-M464 PolarHBondContact ND2-O 2.92Å; N445-M464 PolarHBondContact ND2-SD 2.8Å; N445-M464 PolarHBondContact OD1-O 3.36Å; N445-F468 HydrophobicContact CB-CD2 3.98Å; N445-F468 HydrophobicContact CB-CE2 3.53Å; N445-F468 HydrophobicContact CB-CZ 4.4Å; N445-F468 VanDerWaalsContact CG-CD2 3.45Å; N445-F468 VanDerWaalsContact CG-CE2 3.44Å; N445-F468 WeakPolarHBondContact ND2-CE2 3.38Å |
| 446 | S | 98.3 | Very high | 97.4 | Very high | 30 Ų | 30 | 46.2 Ų | 46.2 | 21% | 0.21 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -36.8 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 112.4 | R442 F443 I444 K450 W486 | R442-S446 VanDerWaalsContact O-CB 3.29Å; R442-S446 WeakPolarHBondContact O-CB 3.33Å; R442-S446 PolarHBondContact O-N 3.24Å; R442-S446 PolarHBondContact O-OG 3.42Å; F443-S446 PolarHBondContact O-N 3.3Å; I444-S446 VanDerWaalsContact C-N 3.33Å; I444-S446 PolarHBondContact O-N 3.05Å; S446-K450 WeakPolarHBondContact O-CB 3.48Å; S446-K450 PolarHBondContact O-N 3.37Å; S446-W486 WeakPolarHBondContact O-CH2 3.44Å |
| 447 | K | 98.2 | Very high | 97.4 | Very high | 67 Ų | 67 | 46 Ų | 46 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.4 | -42.3 | 173.3 | -73.6 | -71.7 | -168 | -154 | 0 | 111.3 | M431 F443 I444 N445 K450 Y451 | M431-K447 HydrophobicContact CE-CB 3.28Å; M431-K447 HydrophobicContact CE-CG 4.35Å; M431-K447 HydrophobicContact SD-CB 4.19Å; F443-K447 HydrophobicContact CE1-CG 4.19Å; F443-K447 HydrophobicContact CE2-CG 4.46Å; F443-K447 HydrophobicContact CZ-CD 4.47Å; F443-K447 HydrophobicContact CZ-CG 4.16Å; F443-K447 WeakPolarHBondContact O-CG 3.48Å; F443-K447 PolarHBondContact O-N 3.38Å; I444-K447 WeakPolarHBondContact O-CB 3.42Å; I444-K447 PolarHBondContact O-N 3.07Å; I444-K447 VanDerWaalsContact O-N 3.12Å; N445-K447 VanDerWaalsContact C-N 3.35Å; N445-K447 PolarHBondContact O-N 3.25Å; K447-K450 PolarHBondContact O-N 3.28Å; K447-Y451 VanDerWaalsContact O-CD2 3.24Å; K447-Y451 WeakPolarHBondContact O-CD2 3.29Å; K447-Y451 PolarHBondContact O-N 3.28Å |
| 448 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.3 | -54.1 | 178.6 | -175 | 0 | 0 | 0 | 0 | 111 | M431 Q435 I444 N445 K450 Y451 M452 M464 | M431-C448 HydrophobicContact CB-CB 4.11Å; M431-C448 HydrophobicContact CE-CB 4.43Å; Q435-C448 HydrophobicContact CB-CB 4.22Å; Q435-C448 HydrophobicContact CG-CB 4.42Å; I444-C448 WeakPolarHBondContact O-CB 3.36Å; I444-C448 PolarHBondContact O-N 3.38Å; N445-C448 WeakPolarHBondContact O-CB 3.26Å; N445-C448 PolarHBondContact O-N 2.99Å; C448-K450 VanDerWaalsContact C-N 3.26Å; C448-K450 PolarHBondContact O-N 3.28Å; C448-Y451 PolarHBondContact O-N 3.3Å; C448-M452 WeakPolarHBondContact O-CG 3.28Å; C448-M452 PolarHBondContact O-N 3.17Å; C448-M452 WeakPolarHBondContact SG-CE 3.4Å; C448-M464 HydrophobicContact CB-CG 4.3Å |
| 449 | A | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -55.3 | -40.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | N445 Y451 M452 L453 A461 M464 C465 W486 | N445-A449 PolarHBondContact O-N 2.84Å; A449-Y451 PolarHBondContact O-N 2.83Å; A449-M452 PolarHBondContact O-N 3.19Å; A449-L453 WeakPolarHBondContact O-CG 3.45Å; A449-L453 PolarHBondContact O-N 3.27Å; A449-A461 HydrophobicContact CB-CB 4.26Å; A449-A461 WeakPolarHBondContact O-CB 3.13Å; A449-M464 HydrophobicContact CB-CB 4.27Å; A449-M464 HydrophobicContact CB-CG 4.18Å; A449-C465 WeakPolarHBondContact CB-SG 3.37Å; A449-W486 HydrophobicContact CB-CH2 4.4Å |
| 450 | K | 98.6 | Very high | 97.5 | Very high | 51 Ų | 51 | 45.4 Ų | 45.4 | 22% | 0.222 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.1 | -39.2 | 175.7 | -175.3 | 172.7 | 69.3 | 174.1 | 0 | 113.2 | S446 K447 C448 K454 W486 E490 | S446-K450 WeakPolarHBondContact O-CB 3.48Å; S446-K450 PolarHBondContact O-N 3.37Å; K447-K450 PolarHBondContact O-N 3.28Å; C448-K450 VanDerWaalsContact C-N 3.26Å; C448-K450 PolarHBondContact O-N 3.28Å; K450-K454 WeakPolarHBondContact O-CG 3.49Å; K450-K454 PolarHBondContact O-N 3.44Å; K450-K454 VanDerWaalsContact O-N 3.09Å; K450-W486 HydrophobicContact CB-CZ3 3.91Å; K450-E490 HydrophobicContact CD-CG 4.26Å; K450-E490 HydrophobicContact CG-CG 4.06Å |
| 451 | Y | 98.4 | Very high | 97.5 | Very high | 13 Ų | 13 | 41.6 Ų | 41.6 | 5% | 0.051 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -72.1 | -39 | 179 | -85.4 | -130 | 0 | 0 | 0 | 110.8 | A415 K419 I424 A427 M431 K447 C448 A449 L453 K454 A455 | A415-Y451 HydrophobicContact CB-CD1 4.43Å; A415-Y451 HydrophobicContact CB-CE1 3.94Å; K419-Y451 HydrophobicContact CB-CE1 3.94Å; K419-Y451 HydrophobicContact CD-CE1 4.2Å; K419-Y451 HydrophobicContact CG-CE1 4.26Å; I424-Y451 HydrophobicContact CD1-CD1 4.33Å; A427-Y451 HydrophobicContact CB-CD1 3.73Å; A427-Y451 HydrophobicContact CB-CE1 3.9Å; M431-Y451 HydrophobicContact CG-CD1 3.57Å; M431-Y451 HydrophobicContact CG-CD2 4.14Å; M431-Y451 HydrophobicContact CG-CE1 3.97Å; M431-Y451 HydrophobicContact CG-CG 3.65Å; K447-Y451 VanDerWaalsContact O-CD2 3.24Å; K447-Y451 WeakPolarHBondContact O-CD2 3.29Å; K447-Y451 PolarHBondContact O-N 3.28Å; C448-Y451 PolarHBondContact O-N 3.3Å; A449-Y451 PolarHBondContact O-N 2.83Å; Y451-L453 PolarHBondContact O-N 3.48Å; Y451-K454 PolarHBondContact O-N 3.27Å; Y451-A455 PolarHBondContact O-N 2.82Å |
| 452 | M | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.8 | -46.9 | 169.8 | -70.1 | 169.1 | 169.8 | 0 | 0 | 111.6 | A428 D432 C448 A449 K454 A455 N456 L457 E460 A461 M464 | A428-M452 HydrophobicContact CB-CG 4.43Å; D432-M452 HydrophobicContact CB-CE 4.31Å; C448-M452 WeakPolarHBondContact O-CG 3.28Å; C448-M452 PolarHBondContact O-N 3.17Å; C448-M452 WeakPolarHBondContact SG-CE 3.4Å; A449-M452 PolarHBondContact O-N 3.19Å; M452-K454 VanDerWaalsContact C-N 3.34Å; M452-K454 PolarHBondContact O-N 3.41Å; M452-A455 CarbonylContact O-C 3.54Å; M452-A455 WeakPolarHBondContact O-CA 3.46Å; M452-A455 WeakPolarHBondContact O-CB 3.4Å; M452-A455 PolarHBondContact O-N 2.84Å; M452-N456 PolarHBondContact O-N 2.84Å; M452-L457 HydrophobicContact CB-CB 4.16Å; M452-L457 WeakPolarHBondContact O-CB 3.42Å; M452-L457 PolarHBondContact O-N 2.85Å; M452-E460 HydrophobicContact SD-CB 4.11Å; M452-A461 HydrophobicContact CB-CB 3.88Å; M452-M464 HydrophobicContact CE-CE 3.87Å; M452-M464 HydrophobicContact SD-CB 4.04Å; M452-M464 HydrophobicContact SD-CG 4.45Å |
| 453 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.3 | -42.4 | 174.8 | -72.1 | 174.1 | 0 | 0 | 0 | 112.5 | A449 Y451 A455 N456 I458 A461 F487 E490 C491 A494 | A449-L453 WeakPolarHBondContact O-CG 3.45Å; A449-L453 PolarHBondContact O-N 3.27Å; Y451-L453 PolarHBondContact O-N 3.48Å; L453-A455 PolarHBondContact O-N 2.78Å; L453-N456 WeakPolarHBondContact O-CA 3.46Å; L453-N456 PolarHBondContact O-N 2.98Å; L453-I458 HydrophobicContact CD2-CB 4.4Å; L453-I458 HydrophobicContact CD2-CG1 4Å; L453-I458 HydrophobicContact CD2-CG2 4.41Å; L453-A461 HydrophobicContact CD2-CB 3.7Å; L453-A461 HydrophobicContact CG-CB 3.63Å; L453-F487 HydrophobicContact CD1-CD2 3.85Å; L453-F487 HydrophobicContact CD1-CE2 3.93Å; L453-E490 HydrophobicContact CB-CB 4.31Å; L453-E490 HydrophobicContact CD1-CB 3.73Å; L453-C491 WeakPolarHBondContact CD2-SG 3.38Å; L453-A494 VanDerWaalsContact O-CB 3.25Å; L453-A494 WeakPolarHBondContact O-CB 3.39Å |
| 454 | K | 96.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 34.8 Ų | 34.8 | 32% | 0.322 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -66.6 | -25 | 176.6 | -71.6 | -178.3 | -173.7 | -52.3 | 0 | 113.1 | I424 K450 Y451 M452 N456 E490 | I424-K454 HydrophobicContact CD1-CB 3.7Å; I424-K454 HydrophobicContact CD1-CD 4.28Å; I424-K454 HydrophobicContact CG1-CB 3.61Å; K450-K454 WeakPolarHBondContact O-CG 3.49Å; K450-K454 PolarHBondContact O-N 3.44Å; K450-K454 VanDerWaalsContact O-N 3.09Å; Y451-K454 PolarHBondContact O-N 3.27Å; M452-K454 VanDerWaalsContact C-N 3.34Å; M452-K454 PolarHBondContact O-N 3.41Å; K454-N456 VanDerWaalsContact C-N 3.26Å; K454-E490 IonicContact NZ-OE1 2.59Å; K454-E490 PolarHBondContact NZ-OE1 3.19Å; K454-E490 IonicContact NZ-OE2 3.26Å; K454-E490 PolarHBondContact NZ-OE2 3.26Å |
| 455 | A | 96.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 34.8 Ų | 34.8 | 8% | 0.083 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.9 | 6.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | I424 K425 Y451 M452 L453 L457 | I424-A455 HydrophobicContact CG1-CB 4.17Å; I424-A455 HydrophobicContact CG2-CB 4Å; K425-A455 HydrophobicContact CG-CB 4.4Å; Y451-A455 PolarHBondContact O-N 2.82Å; M452-A455 CarbonylContact O-C 3.54Å; M452-A455 WeakPolarHBondContact O-CA 3.46Å; M452-A455 WeakPolarHBondContact O-CB 3.4Å; M452-A455 PolarHBondContact O-N 2.84Å; L453-A455 PolarHBondContact O-N 2.78Å; A455-L457 HydrophobicContact CB-CD1 4.19Å; A455-L457 HydrophobicContact CB-CG 4.15Å; A455-L457 PolarHBondContact O-N 3.33Å |
| 456 | N | 96.6 | Very high | 97.2 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 35% | 0.348 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | 17.9 | -176.1 | -56.8 | -42.2 | 0 | 0 | 0 | 115.1 | M452 L453 K454 I458 A494 M498 | M452-N456 PolarHBondContact O-N 2.84Å; L453-N456 WeakPolarHBondContact O-CA 3.46Å; L453-N456 PolarHBondContact O-N 2.98Å; K454-N456 VanDerWaalsContact C-N 3.26Å; N456-I458 PolarHBondContact O-N 3.32Å; N456-A494 PolarHBondContact OD1-O 3.37Å; N456-M498 HydrophobicContact CB-CE 3.87Å; N456-M498 HydrophobicContact CB-CG 4.05Å; N456-M498 HydrophobicContact CB-SD 3.92Å |
| 457 | L | 96.3 | Very high | 97.1 | Very high | 41 Ų | 41 | 40 Ų | 40 | 22% | 0.215 | 19% | 0.192 | C | C | . | . | trans | -88.4 | 71.5 | 176 | -58.8 | 176.8 | 0 | 0 | 0 | 110 | M452 A455 E460 A461 I849 | M452-L457 HydrophobicContact CB-CB 4.16Å; M452-L457 WeakPolarHBondContact O-CB 3.42Å; M452-L457 PolarHBondContact O-N 2.85Å; A455-L457 HydrophobicContact CB-CD1 4.19Å; A455-L457 HydrophobicContact CB-CG 4.15Å; A455-L457 PolarHBondContact O-N 3.33Å; L457-E460 VanDerWaalsContact CA-OE2 3.25Å; L457-E460 WeakPolarHBondContact CA-OE2 3.48Å; L457-E460 HydrophobicContact CB-CB 4.15Å; L457-E460 HydrophobicContact CB-CG 4.26Å; L457-E460 WeakPolarHBondContact CB-OE2 3.27Å; L457-A461 WeakPolarHBondContact O-CB 3.43Å; L457-A461 PolarHBondContact O-N 2.77Å; L457-A461 VanDerWaalsContact O-N 3.13Å; L457-I849 HydrophobicContact CD1-CD1 3.74Å | ||
| 458 | I | 96.4 | Very high | 97 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 7% | 0.072 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70 | -41.8 | -171.1 | -64.7 | -174.3 | 0 | 0 | 0 | 112.1 | L453 N456 A461 E462 A494 Y495 M498 | L453-I458 HydrophobicContact CD2-CB 4.4Å; L453-I458 HydrophobicContact CD2-CG1 4Å; L453-I458 HydrophobicContact CD2-CG2 4.41Å; N456-I458 PolarHBondContact O-N 3.32Å; I458-A461 PolarHBondContact O-N 2.93Å; I458-E462 HydrophobicContact CG2-CG 4.43Å; I458-E462 WeakPolarHBondContact CG2-OE1 3.48Å; I458-E462 WeakPolarHBondContact O-CG 3.49Å; I458-E462 PolarHBondContact O-N 2.87Å; I458-A494 HydrophobicContact CD1-CB 4.14Å; I458-A494 HydrophobicContact CG1-CB 4.34Å; I458-Y495 HydrophobicContact CD1-CD1 3.46Å; I458-Y495 VanDerWaalsContact CD1-CD1 3.46Å; I458-Y495 HydrophobicContact CD1-CD2 4.09Å; I458-Y495 HydrophobicContact CD1-CE1 3.24Å; I458-Y495 HydrophobicContact CD1-CE2 3.89Å; I458-Y495 HydrophobicContact CD1-CG 3.88Å; I458-Y495 VanDerWaalsContact CD1-CZ 3.47Å; I458-M498 HydrophobicContact CD1-CE 3.25Å; I458-M498 HydrophobicContact CG1-CE 3.79Å |
| 459 | K | 95.8 | Very high | 96.9 | Very high | 150 Ų | 150 | 40.5 Ų | 40.5 | 65% | 0.652 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -66.7 | -42.9 | -177.2 | -71.6 | -175.9 | 175.1 | -177.6 | 0 | 111.1 | A461 E462 E463 | K459-A461 VanDerWaalsContact C-N 3.29Å; K459-A461 PolarHBondContact O-N 3.15Å; K459-E462 WeakPolarHBondContact O-CB 3.34Å; K459-E462 PolarHBondContact O-N 2.66Å; K459-E462 VanDerWaalsContact O-N 3.13Å; K459-E463 WeakPolarHBondContact O-CG 3.17Å; K459-E463 PolarHBondContact O-N 2.91Å |
| 460 | E | 96.6 | Very high | 96.6 | Very high | 56 Ų | 56 | 49.3 Ų | 49.3 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 177.5 | -58.5 | 82.3 | 170.4 | 0 | 0 | 110.3 | M452 L457 E463 M464 V851 | M452-E460 HydrophobicContact SD-CB 4.11Å; L457-E460 VanDerWaalsContact CA-OE2 3.25Å; L457-E460 WeakPolarHBondContact CA-OE2 3.48Å; L457-E460 HydrophobicContact CB-CB 4.15Å; L457-E460 HydrophobicContact CB-CG 4.26Å; L457-E460 WeakPolarHBondContact CB-OE2 3.27Å; E460-E463 PolarHBondContact O-N 3.45Å; E460-M464 VanDerWaalsContact O-CB 3.28Å; E460-M464 WeakPolarHBondContact O-CB 3.34Å; E460-M464 PolarHBondContact O-N 3.39Å; E460-V851 HydrophobicContact CB-CG2 4.33Å |
| 461 | A | 97.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -38.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | A449 M452 L453 L457 I458 K459 M464 C465 | A449-A461 HydrophobicContact CB-CB 4.26Å; A449-A461 WeakPolarHBondContact O-CB 3.13Å; M452-A461 HydrophobicContact CB-CB 3.88Å; L453-A461 HydrophobicContact CD2-CB 3.7Å; L453-A461 HydrophobicContact CG-CB 3.63Å; L457-A461 WeakPolarHBondContact O-CB 3.43Å; L457-A461 PolarHBondContact O-N 2.77Å; L457-A461 VanDerWaalsContact O-N 3.13Å; I458-A461 PolarHBondContact O-N 2.93Å; K459-A461 VanDerWaalsContact C-N 3.29Å; K459-A461 PolarHBondContact O-N 3.15Å; A461-M464 PolarHBondContact O-N 3.28Å; A461-C465 WeakPolarHBondContact O-CB 3.43Å; A461-C465 PolarHBondContact O-N 3.11Å; A461-C465 PolarHBondContact O-SG 2.9Å |
| 462 | E | 95.9 | Very high | 95.5 | Very high | 49 Ų | 49 | 58.9 Ų | 58.9 | 23% | 0.229 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.4 | -45.5 | 175.2 | -71.9 | 170.6 | -174.4 | 0 | 0 | 111.4 | I458 K459 M464 C465 S466 V476 F487 | I458-E462 HydrophobicContact CG2-CG 4.43Å; I458-E462 WeakPolarHBondContact CG2-OE1 3.48Å; I458-E462 WeakPolarHBondContact O-CG 3.49Å; I458-E462 PolarHBondContact O-N 2.87Å; K459-E462 WeakPolarHBondContact O-CB 3.34Å; K459-E462 PolarHBondContact O-N 2.66Å; K459-E462 VanDerWaalsContact O-N 3.13Å; E462-M464 VanDerWaalsContact C-N 3.35Å; E462-C465 PolarHBondContact O-N 3.25Å; E462-S466 WeakPolarHBondContact O-CB 3.47Å; E462-S466 PolarHBondContact O-N 2.95Å; E462-V476 HydrophobicContact CG-CG2 3.63Å; E462-V476 WeakPolarHBondContact OE1-CG2 3.37Å; E462-F487 HydrophobicContact CG-CZ 3.99Å |
| 463 | E | 96.3 | Very high | 95 | Very high | 102 Ų | 102 | 61.2 Ų | 61.2 | 48% | 0.477 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 174.5 | -71.5 | 172.6 | -171.4 | 0 | 0 | 111.8 | K459 E460 S466 | K459-E463 WeakPolarHBondContact O-CG 3.17Å; K459-E463 PolarHBondContact O-N 2.91Å; E460-E463 PolarHBondContact O-N 3.45Å; E463-S466 PolarHBondContact O-N 3.1Å; E463-S466 PolarHBondContact O-OG 3.2Å |
| 464 | M | 96.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -46.4 | 174.7 | -175.6 | 55.2 | 68.4 | 0 | 0 | 111.1 | D432 Q435 N445 C448 A449 M452 E460 A461 E462 S466 K467 V851 | D432-M464 WeakPolarHBondContact OD1-CE 3.42Å; Q435-M464 HydrophobicContact CG-CE 4.28Å; Q435-M464 HydrophobicContact CG-SD 3.75Å; Q435-M464 VanDerWaalsContact OE1-CE 3.31Å; Q435-M464 PolarHBondContact OE1-SD 2.72Å; N445-M464 PolarHBondContact ND2-O 2.92Å; N445-M464 PolarHBondContact ND2-SD 2.8Å; N445-M464 PolarHBondContact OD1-O 3.36Å; C448-M464 HydrophobicContact CB-CG 4.3Å; A449-M464 HydrophobicContact CB-CB 4.27Å; A449-M464 HydrophobicContact CB-CG 4.18Å; M452-M464 HydrophobicContact CE-CE 3.87Å; M452-M464 HydrophobicContact SD-CB 4.04Å; M452-M464 HydrophobicContact SD-CG 4.45Å; E460-M464 VanDerWaalsContact O-CB 3.28Å; E460-M464 WeakPolarHBondContact O-CB 3.34Å; E460-M464 PolarHBondContact O-N 3.39Å; A461-M464 PolarHBondContact O-N 3.28Å; E462-M464 VanDerWaalsContact C-N 3.35Å; M464-S466 VanDerWaalsContact C-N 3.29Å; M464-S466 PolarHBondContact O-N 3.04Å; M464-K467 WeakPolarHBondContact O-CB 3.46Å; M464-K467 WeakPolarHBondContact O-CG 3.47Å; M464-K467 HydrophobicContact SD-CD 3.98Å; M464-V851 HydrophobicContact CE-CG1 4.14Å |
| 465 | C | 97.5 | Very high | 94.6 | Very high | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.041 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.5 | -31 | 176.7 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | A449 A461 E462 K467 F468 T469 L479 | A449-C465 WeakPolarHBondContact CB-SG 3.37Å; A461-C465 WeakPolarHBondContact O-CB 3.43Å; A461-C465 PolarHBondContact O-N 3.11Å; A461-C465 PolarHBondContact O-SG 2.9Å; E462-C465 PolarHBondContact O-N 3.25Å; C465-K467 PolarHBondContact O-N 2.84Å; C465-K467 VanDerWaalsContact O-N 3.1Å; C465-F468 PolarHBondContact O-N 2.8Å; C465-T469 PolarHBondContact O-N 3.05Å; C465-L479 HydrophobicContact CB-CD1 3.97Å |
| 466 | S | 96.9 | Very high | 94.4 | Very high | 59 Ų | 59 | 62 Ų | 62 | 41% | 0.413 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -62.6 | -21.5 | -176.1 | 72.6 | 0 | 0 | 0 | 0 | 113.3 | E462 E463 M464 F468 T469 | E462-S466 WeakPolarHBondContact O-CB 3.47Å; E462-S466 PolarHBondContact O-N 2.95Å; E463-S466 PolarHBondContact O-N 3.1Å; E463-S466 PolarHBondContact O-OG 3.2Å; M464-S466 VanDerWaalsContact C-N 3.29Å; M464-S466 PolarHBondContact O-N 3.04Å; S466-F468 PolarHBondContact O-N 3.01Å; S466-F468 VanDerWaalsContact O-N 3.15Å; S466-T469 WeakPolarHBondContact CA-OG1 3.39Å; S466-T469 PolarHBondContact O-N 2.84Å; S466-T469 PolarHBondContact O-OG1 3.22Å |
| 467 | K | 95.8 | Very high | 94.3 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -22.4 | 172.6 | -58.3 | -179.4 | -176.1 | -175.4 | 0 | 113.3 | M464 C465 N852 | M464-K467 WeakPolarHBondContact O-CB 3.46Å; M464-K467 WeakPolarHBondContact O-CG 3.47Å; M464-K467 HydrophobicContact SD-CD 3.98Å; C465-K467 PolarHBondContact O-N 2.84Å; C465-K467 VanDerWaalsContact O-N 3.1Å; K467-N852 PolarHBondContact NZ-OD1 3.34Å |
| 468 | F | 96.6 | Very high | 94.2 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 26% | 0.259 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.4 | 5.5 | -177.5 | -70.9 | -89.1 | 0 | 0 | 0 | 114.3 | T439 A440 R442 N445 C465 S466 | T439-F468 WeakPolarHBondContact O-CZ 3.29Å; A440-F468 WeakPolarHBondContact O-CE1 3.24Å; R442-F468 HydrophobicContact CB-CD1 3.87Å; R442-F468 HydrophobicContact CB-CE1 3.75Å; R442-F468 HydrophobicContact CB-CG 4.33Å; R442-F468 HydrophobicContact CB-CZ 4.13Å; R442-F468 HydrophobicContact CG-CB 4.27Å; R442-F468 HydrophobicContact CG-CD1 3.83Å; R442-F468 HydrophobicContact CG-CD2 4.28Å; R442-F468 HydrophobicContact CG-CE1 4.2Å; R442-F468 HydrophobicContact CG-CG 3.87Å; N445-F468 HydrophobicContact CB-CD2 3.98Å; N445-F468 HydrophobicContact CB-CE2 3.53Å; N445-F468 HydrophobicContact CB-CZ 4.4Å; N445-F468 VanDerWaalsContact CG-CD2 3.45Å; N445-F468 VanDerWaalsContact CG-CE2 3.44Å; N445-F468 WeakPolarHBondContact ND2-CE2 3.38Å; C465-F468 PolarHBondContact O-N 2.8Å; S466-F468 PolarHBondContact O-N 3.01Å; S466-F468 VanDerWaalsContact O-N 3.15Å |
| 469 | T | 95.4 | Very high | 94.2 | Very high | 20 Ų | 20 | 61 Ų | 61 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -94.5 | 156.8 | 176.5 | 58.1 | 0 | 0 | 0 | 0 | 111.2 | C465 S466 A475 N478 L479 | C465-T469 PolarHBondContact O-N 3.05Å; S466-T469 WeakPolarHBondContact CA-OG1 3.39Å; S466-T469 PolarHBondContact O-N 2.84Å; S466-T469 PolarHBondContact O-OG1 3.22Å; T469-A475 HydrophobicContact CG2-CB 3.95Å; T469-N478 WeakPolarHBondContact CB-OD1 3.38Å; T469-N478 HydrophobicContact CG2-CB 4.16Å; T469-L479 HydrophobicContact CG2-CD2 4.17Å; T469-L479 HydrophobicContact CG2-CG 4.1Å |
| 470 | R | 92.8 | Very high | 94.1 | Very high | 185 Ų | 185 | 55.5 Ų | 55.5 | 70% | 0.698 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -60.4 | 137.7 | 179.2 | -179 | -176.9 | 171.6 | -176.6 | 0.2 | 111.7 | N478 | R470-N478 PolarHBondContact N-OD1 3Š|
| 471 | E | 87.4 | Confident | 94 | Very high | 184 Ų | 184 | 57.8 Ų | 57.8 | 86% | 0.86 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 142.2 | 172.6 | -67.7 | -176.9 | 179 | 0 | 0 | 112.4 | ||
| 472 | G | 85.1 | Confident | 93.9 | Very high | 80 Ų | 80 | 64 Ų | 64 | 83% | 0.825 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 98 | -6.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 473 | T | 89.3 | Confident | 94 | Very high | 49 Ų | 49 | 65.2 Ų | 65.2 | 30% | 0.301 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -127.3 | 162.4 | 169.5 | -172.6 | 0 | 0 | 0 | 0 | 110.2 | N478 | T473-N478 HydrophobicContact CG2-CB 3.72Š|
| 474 | S | 92.2 | Very high | 94.1 | Very high | 65 Ų | 65 | 61.2 Ų | 61.2 | 46% | 0.455 | 33% | 0.325 | S | S | . | . | trans | -70.6 | 150.7 | 173.2 | 76.6 | 0 | 0 | 0 | 0 | 110.4 | V476 E477 N478 | S474-V476 PolarHBondContact O-N 2.96Å; S474-E477 PolarHBondContact O-N 3.07Å; S474-E477 WeakPolarHBondContact OG-CG 3.3Å; S474-E477 PolarHBondContact OG-N 3.29Å; S474-N478 PolarHBondContact O-N 2.94Å | ||
| 475 | A | 93.3 | Very high | 94.2 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 8% | 0.083 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -38.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | T469 N478 L479 | T469-A475 HydrophobicContact CG2-CB 3.95Å; A475-N478 PolarHBondContact O-N 2.68Å; A475-L479 WeakPolarHBondContact O-CB 3.41Å; A475-L479 WeakPolarHBondContact O-CG 3.32Å; A475-L479 PolarHBondContact O-N 3.48Å |
| 476 | V | 92.9 | Very high | 94.2 | Very high | 26 Ų | 26 | 65.1 Ų | 65.1 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62 | -46 | 179.5 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | E462 S474 N480 | E462-V476 HydrophobicContact CG-CG2 3.63Å; E462-V476 WeakPolarHBondContact OE1-CG2 3.37Å; S474-V476 PolarHBondContact O-N 2.96Å; V476-N480 WeakPolarHBondContact O-CB 3.47Å; V476-N480 PolarHBondContact O-N 3.25Å; V476-N480 VanDerWaalsContact O-N 3.1Å |
| 477 | E | 93.1 | Very high | 94.3 | Very high | 78 Ų | 78 | 62.4 Ų | 62.4 | 36% | 0.364 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 178 | -68.9 | -56.2 | 134.5 | 0 | 0 | 111.3 | S474 L479 N480 E481 | S474-E477 PolarHBondContact O-N 3.07Å; S474-E477 WeakPolarHBondContact OG-CG 3.3Å; S474-E477 PolarHBondContact OG-N 3.29Å; E477-L479 VanDerWaalsContact C-N 3.35Å; E477-L479 PolarHBondContact O-N 2.84Å; E477-N480 WeakPolarHBondContact O-CB 3.5Å; E477-N480 PolarHBondContact O-N 3.23Å; E477-N480 VanDerWaalsContact O-N 3.17Å; E477-E481 WeakPolarHBondContact O-CG 3.44Å; E477-E481 PolarHBondContact O-N 3.3Å |
| 478 | N | 95.3 | Very high | 94.4 | Very high | 13 Ų | 13 | 58.6 Ų | 58.6 | 7% | 0.07 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.9 | -42.6 | 176.9 | -170.1 | -118.9 | 0 | 0 | 0 | 112.3 | T469 R470 T473 S474 A475 N480 E481 M482 | T469-N478 WeakPolarHBondContact CB-OD1 3.38Å; T469-N478 HydrophobicContact CG2-CB 4.16Å; R470-N478 PolarHBondContact N-OD1 3Å; T473-N478 HydrophobicContact CG2-CB 3.72Å; S474-N478 PolarHBondContact O-N 2.94Å; A475-N478 PolarHBondContact O-N 2.68Å; N478-N480 VanDerWaalsContact C-N 3.26Å; N478-N480 PolarHBondContact O-N 2.76Å; N478-E481 PolarHBondContact ND2-OE2 2.92Å; N478-E481 WeakPolarHBondContact O-CB 3.37Å; N478-E481 PolarHBondContact O-N 3.3Å; N478-M482 WeakPolarHBondContact O-CB 3.42Å; N478-M482 VanDerWaalsContact O-CG 3.25Å; N478-M482 WeakPolarHBondContact O-CG 3.37Å; N478-M482 PolarHBondContact O-N 3.37Å |
| 479 | L | 95.8 | Very high | 94.5 | Very high | 7 Ų | 7 | 56 Ų | 56 | 4% | 0.037 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -66.7 | -30.6 | 177.9 | -69.9 | 174.9 | 0 | 0 | 0 | 112 | C465 T469 A475 E477 Q483 C484 F487 | C465-L479 HydrophobicContact CB-CD1 3.97Å; T469-L479 HydrophobicContact CG2-CD2 4.17Å; T469-L479 HydrophobicContact CG2-CG 4.1Å; A475-L479 WeakPolarHBondContact O-CB 3.41Å; A475-L479 WeakPolarHBondContact O-CG 3.32Å; A475-L479 PolarHBondContact O-N 3.48Å; E477-L479 VanDerWaalsContact C-N 3.35Å; E477-L479 PolarHBondContact O-N 2.84Å; L479-Q483 PolarHBondContact O-N 3.15Å; L479-C484 HydrophobicContact CB-CB 3.96Å; L479-C484 HydrophobicContact CD2-CB 3.97Å; L479-C484 WeakPolarHBondContact O-CB 3.44Å; L479-C484 PolarHBondContact O-N 3.49Å; L479-F487 HydrophobicContact CB-CD1 4.35Å; L479-F487 HydrophobicContact CD1-CB 4.37Å; L479-F487 HydrophobicContact CD1-CD1 3.62Å; L479-F487 HydrophobicContact CD1-CD2 3.94Å; L479-F487 HydrophobicContact CD1-CE1 3.78Å; L479-F487 HydrophobicContact CD1-CE2 4.09Å; L479-F487 HydrophobicContact CD1-CG 3.71Å; L479-F487 HydrophobicContact CD1-CZ 4.02Å |
| 480 | N | 94.9 | Very high | 94.6 | Very high | 36 Ų | 36 | 56.1 Ų | 56.1 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.1 | -44.7 | 171 | 178.8 | 62.1 | 0 | 0 | 0 | 111.7 | V476 E477 N478 M482 Q483 Q488 H514 | V476-N480 WeakPolarHBondContact O-CB 3.47Å; V476-N480 PolarHBondContact O-N 3.25Å; V476-N480 VanDerWaalsContact O-N 3.1Å; E477-N480 WeakPolarHBondContact O-CB 3.5Å; E477-N480 PolarHBondContact O-N 3.23Å; E477-N480 VanDerWaalsContact O-N 3.17Å; N478-N480 VanDerWaalsContact C-N 3.26Å; N478-N480 PolarHBondContact O-N 2.76Å; N480-M482 VanDerWaalsContact C-N 3.28Å; N480-M482 PolarHBondContact O-N 3.42Å; N480-Q483 PolarHBondContact O-N 2.73Å; N480-Q483 VanDerWaalsContact O-N 3.12Å; N480-Q488 PolarHBondContact OD1-NE2 3.28Å; N480-Q488 VanDerWaalsContact OD1-NE2 3.08Å; N480-H514 PolarHBondContact O-CE1 2.98Å; N480-H514 PolarHBondContact OD1-CE1 3.34Å |
| 481 | E | 93.6 | Very high | 94.9 | Very high | 103 Ų | 103 | 47.3 Ų | 47.3 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -57.3 | -41.6 | 174 | -70.8 | 167.4 | 171.3 | 0 | 0 | 111.7 | E477 N478 Q483 | E477-E481 WeakPolarHBondContact O-CG 3.44Å; E477-E481 PolarHBondContact O-N 3.3Å; N478-E481 PolarHBondContact ND2-OE2 2.92Å; N478-E481 WeakPolarHBondContact O-CB 3.37Å; N478-E481 PolarHBondContact O-N 3.3Å; E481-Q483 PolarHBondContact O-N 3.29Å |
| 482 | M | 95.7 | Very high | 95.4 | Very high | 130 Ų | 130 | 38.6 Ų | 38.6 | 64% | 0.64 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 10.4 | 179.6 | -60.8 | -54.9 | -57.3 | 0 | 0 | 114.1 | N478 N480 C484 | N478-M482 WeakPolarHBondContact O-CB 3.42Å; N478-M482 VanDerWaalsContact O-CG 3.25Å; N478-M482 WeakPolarHBondContact O-CG 3.37Å; N478-M482 PolarHBondContact O-N 3.37Å; N480-M482 VanDerWaalsContact C-N 3.28Å; N480-M482 PolarHBondContact O-N 3.42Å; M482-C484 VanDerWaalsContact C-N 3.3Å; M482-C484 PolarHBondContact O-N 3.08Å |
| 483 | Q | 97.6 | Very high | 96 | Very high | 75 Ų | 75 | 37.2 Ų | 37.2 | 35% | 0.35 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.5 | 39 | 178.4 | -55 | 175.9 | -24.9 | 0 | 0 | 113.5 | L479 N480 E481 M485 | L479-Q483 PolarHBondContact O-N 3.15Å; N480-Q483 PolarHBondContact O-N 2.73Å; N480-Q483 VanDerWaalsContact O-N 3.12Å; E481-Q483 PolarHBondContact O-N 3.29Å; Q483-M485 VanDerWaalsContact C-N 3.31Å; Q483-M485 PolarHBondContact O-N 3.01Å |
| 484 | C | 98.3 | Very high | 96.4 | Very high | 18 Ų | 18 | 35.1 Ų | 35.1 | 12% | 0.122 | 18% | 0.178 | C | C | . | . | trans | -78 | 71.9 | -175 | -167.3 | 0 | 0 | 0 | 0 | 113 | L479 M482 W486 F487 Q488 | L479-C484 HydrophobicContact CB-CB 3.96Å; L479-C484 HydrophobicContact CD2-CB 3.97Å; L479-C484 WeakPolarHBondContact O-CB 3.44Å; L479-C484 PolarHBondContact O-N 3.49Å; M482-C484 VanDerWaalsContact C-N 3.3Å; M482-C484 PolarHBondContact O-N 3.08Å; C484-W486 VanDerWaalsContact C-N 3.29Å; C484-W486 PolarHBondContact O-N 3.35Å; C484-W486 VanDerWaalsContact SG-CD1 3.51Å; C484-W486 PolarHBondContact SG-NE1 2.96Å; C484-F487 PolarHBondContact O-N 3.38Å; C484-Q488 PolarHBondContact O-N 3.25Å | ||
| 485 | M | 98.4 | Very high | 96.7 | Very high | 19 Ų | 19 | 33.4 Ų | 33.4 | 9% | 0.094 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.8 | -29.6 | -173.8 | -58.9 | 179.8 | -163.7 | 0 | 0 | 114.1 | Q483 F487 T489 H514 F515 I518 F553 | Q483-M485 VanDerWaalsContact C-N 3.31Å; Q483-M485 PolarHBondContact O-N 3.01Å; M485-F487 VanDerWaalsContact C-N 3.31Å; M485-F487 PolarHBondContact O-N 3.36Å; M485-T489 WeakPolarHBondContact O-CB 3.09Å; M485-T489 VanDerWaalsContact O-CG2 3.31Å; M485-T489 WeakPolarHBondContact O-CG2 3.26Å; M485-T489 PolarHBondContact O-N 3.39Å; M485-T489 PolarHBondContact O-OG1 3.34Å; M485-H514 HydrophobicContact CE-CB 3.7Å; M485-F515 HydrophobicContact CE-CE2 4.18Å; M485-F515 HydrophobicContact CE-CZ 4.48Å; M485-F515 HydrophobicContact SD-CE2 3.84Å; M485-F515 HydrophobicContact SD-CZ 4.17Å; M485-I518 HydrophobicContact CE-CD1 3.78Å; M485-F553 HydrophobicContact CB-CB 4.13Å; M485-F553 HydrophobicContact CB-CD1 4.09Å; M485-F553 HydrophobicContact CB-CD2 3.69Å; M485-F553 HydrophobicContact CB-CE1 4.45Å; M485-F553 HydrophobicContact CB-CE2 4.11Å; M485-F553 HydrophobicContact CB-CG 3.73Å; M485-F553 HydrophobicContact CB-CZ 4.48Å; M485-F553 HydrophobicContact CG-CD2 4.29Å; M485-F553 HydrophobicContact SD-CB 3.76Å; M485-F553 HydrophobicContact SD-CD2 3.64Å; M485-F553 HydrophobicContact SD-CG 4Å |
| 486 | W | 98.4 | Very high | 96.9 | Very high | 70 Ų | 70 | 34.6 Ų | 34.6 | 27% | 0.265 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 178.8 | 78.9 | -100.6 | 0 | 0 | 0 | 111.5 | S446 A449 K450 C484 T489 E490 F553 | S446-W486 WeakPolarHBondContact O-CH2 3.44Å; A449-W486 HydrophobicContact CB-CH2 4.4Å; K450-W486 HydrophobicContact CB-CZ3 3.91Å; C484-W486 VanDerWaalsContact C-N 3.29Å; C484-W486 PolarHBondContact O-N 3.35Å; C484-W486 VanDerWaalsContact SG-CD1 3.51Å; C484-W486 PolarHBondContact SG-NE1 2.96Å; W486-T489 PolarHBondContact O-OG1 3.1Å; W486-T489 VanDerWaalsContact O-OG1 3.13Å; W486-E490 VanDerWaalsContact O-CG 3.32Å; W486-E490 WeakPolarHBondContact O-CG 3.28Å; W486-E490 PolarHBondContact O-N 3Å; W486-F553 HydrophobicContact CB-CE1 4Å; W486-F553 HydrophobicContact CB-CZ 4.01Å |
| 487 | F | 98.4 | Very high | 97 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.4 | -50.2 | 177.9 | 177.2 | -97.3 | 0 | 0 | 0 | 109.6 | L453 E462 L479 C484 M485 T489 E490 C491 | L453-F487 HydrophobicContact CD1-CD2 3.85Å; L453-F487 HydrophobicContact CD1-CE2 3.93Å; E462-F487 HydrophobicContact CG-CZ 3.99Å; L479-F487 HydrophobicContact CB-CD1 4.35Å; L479-F487 HydrophobicContact CD1-CB 4.37Å; L479-F487 HydrophobicContact CD1-CD1 3.62Å; L479-F487 HydrophobicContact CD1-CD2 3.94Å; L479-F487 HydrophobicContact CD1-CE1 3.78Å; L479-F487 HydrophobicContact CD1-CE2 4.09Å; L479-F487 HydrophobicContact CD1-CG 3.71Å; L479-F487 HydrophobicContact CD1-CZ 4.02Å; C484-F487 PolarHBondContact O-N 3.38Å; M485-F487 VanDerWaalsContact C-N 3.31Å; M485-F487 PolarHBondContact O-N 3.36Å; F487-T489 PolarHBondContact O-N 2.82Å; F487-E490 PolarHBondContact O-N 3.16Å; F487-C491 VanDerWaalsContact CE1-SG 3.52Å; F487-C491 VanDerWaalsContact CZ-SG 3.59Å; F487-C491 PolarHBondContact O-N 3.37Å; F487-C491 PolarHBondContact O-SG 2.89Å; F487-C491 VanDerWaalsContact O-SG 3.34Å |
| 488 | Q | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.9 | -39.9 | -179.6 | -66.7 | 164.9 | -46 | 0 | 0 | 112.8 | N480 C484 C491 A492 K507 E510 I511 H514 | N480-Q488 PolarHBondContact OD1-NE2 3.28Å; N480-Q488 VanDerWaalsContact OD1-NE2 3.08Å; C484-Q488 PolarHBondContact O-N 3.25Å; Q488-C491 PolarHBondContact O-N 3.15Å; Q488-A492 WeakPolarHBondContact O-CB 3.4Å; Q488-A492 PolarHBondContact O-N 3.47Å; Q488-K507 HydrophobicContact CB-CD 4.12Å; Q488-K507 HydrophobicContact CG-CD 4.13Å; Q488-E510 PolarHBondContact NE2-OE2 3.04Å; Q488-I511 HydrophobicContact CB-CD1 3.99Å; Q488-I511 HydrophobicContact CB-CG1 3.97Å; Q488-H514 PolarHBondContact NE2-NE2 3.09Å; Q488-H514 PolarHBondContact OE1-CD2 3.22Å; Q488-H514 PolarHBondContact OE1-NE2 3.44Å; Q488-H514 VanDerWaalsContact OE1-NE2 3.15Å |
| 489 | T | 98.1 | Very high | 97 | Very high | 4 Ų | 4 | 40 Ų | 40 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.1 | -34.8 | 177.4 | 49.2 | 0 | 0 | 0 | 0 | 113 | M485 W486 F487 Q493 I511 F553 K556 | M485-T489 WeakPolarHBondContact O-CB 3.09Å; M485-T489 VanDerWaalsContact O-CG2 3.31Å; M485-T489 WeakPolarHBondContact O-CG2 3.26Å; M485-T489 PolarHBondContact O-N 3.39Å; M485-T489 PolarHBondContact O-OG1 3.34Å; W486-T489 PolarHBondContact O-OG1 3.1Å; W486-T489 VanDerWaalsContact O-OG1 3.13Å; F487-T489 PolarHBondContact O-N 2.82Å; T489-Q493 WeakPolarHBondContact O-CB 3.41Å; T489-Q493 PolarHBondContact O-N 3.06Å; T489-I511 HydrophobicContact CG2-CD1 3.4Å; T489-I511 VanDerWaalsContact CG2-CD1 3.4Å; T489-F553 HydrophobicContact CG2-CD1 4.21Å; T489-K556 HydrophobicContact CG2-CB 4.37Å; T489-K556 HydrophobicContact CG2-CG 4.33Å |
| 490 | E | 98.4 | Very high | 97 | Very high | 22 Ų | 22 | 45 Ų | 45 | 10% | 0.103 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.7 | -37.2 | 174.8 | -66.9 | -72.2 | -179.9 | 0 | 0 | 111 | K450 L453 K454 W486 F487 Q493 A494 K556 | K450-E490 HydrophobicContact CD-CG 4.26Å; K450-E490 HydrophobicContact CG-CG 4.06Å; L453-E490 HydrophobicContact CB-CB 4.31Å; L453-E490 HydrophobicContact CD1-CB 3.73Å; K454-E490 IonicContact NZ-OE1 2.59Å; K454-E490 PolarHBondContact NZ-OE1 3.19Å; K454-E490 IonicContact NZ-OE2 3.26Å; K454-E490 PolarHBondContact NZ-OE2 3.26Å; W486-E490 VanDerWaalsContact O-CG 3.32Å; W486-E490 WeakPolarHBondContact O-CG 3.28Å; W486-E490 PolarHBondContact O-N 3Å; F487-E490 PolarHBondContact O-N 3.16Å; E490-Q493 PolarHBondContact O-N 3.13Å; E490-A494 WeakPolarHBondContact O-CB 3.47Å; E490-A494 PolarHBondContact O-N 3.17Å; E490-K556 IonicContact OE1-NZ 2.67Å; E490-K556 IonicContact OE2-NZ 2.82Å |
| 491 | C | 98.1 | Very high | 97.1 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.2 | -47.2 | 169.9 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | L453 F487 Q488 Q493 A494 Y495 K507 | L453-C491 WeakPolarHBondContact CD2-SG 3.38Å; F487-C491 VanDerWaalsContact CE1-SG 3.52Å; F487-C491 VanDerWaalsContact CZ-SG 3.59Å; F487-C491 PolarHBondContact O-N 3.37Å; F487-C491 PolarHBondContact O-SG 2.89Å; F487-C491 VanDerWaalsContact O-SG 3.34Å; Q488-C491 PolarHBondContact O-N 3.15Å; C491-Q493 VanDerWaalsContact C-N 3.26Å; C491-Q493 PolarHBondContact O-N 3.1Å; C491-A494 PolarHBondContact O-N 3.31Å; C491-Y495 HydrophobicContact CB-CD2 4.3Å; C491-Y495 HydrophobicContact CB-CE2 4.2Å; C491-Y495 WeakPolarHBondContact O-CB 3.4Å; C491-Y495 WeakPolarHBondContact O-CD2 3.48Å; C491-Y495 PolarHBondContact O-N 3.4Å; C491-K507 HydrophobicContact CB-CD 4.03Å; C491-K507 HydrophobicContact CB-CG 4.25Å |
| 492 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.3 | -40.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q488 K496 A504 K507 I560 | Q488-A492 WeakPolarHBondContact O-CB 3.4Å; Q488-A492 PolarHBondContact O-N 3.47Å; A492-K496 WeakPolarHBondContact O-CB 3.31Å; A492-K496 PolarHBondContact O-N 3.44Å; A492-A504 WeakPolarHBondContact O-CB 3.35Å; A492-K507 HydrophobicContact CB-CB 3.8Å; A492-I560 HydrophobicContact CB-CD1 4.03Å; A492-I560 HydrophobicContact CB-CG2 4.27Å |
| 493 | Q | 97.8 | Very high | 97.4 | Very high | 52 Ų | 52 | 37.3 Ų | 37.3 | 24% | 0.243 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -67.1 | -42.5 | 177 | -170.8 | 70.5 | 62.3 | 0 | 0 | 112 | T489 E490 C491 K496 A497 I560 | T489-Q493 WeakPolarHBondContact O-CB 3.41Å; T489-Q493 PolarHBondContact O-N 3.06Å; E490-Q493 PolarHBondContact O-N 3.13Å; C491-Q493 VanDerWaalsContact C-N 3.26Å; C491-Q493 PolarHBondContact O-N 3.1Å; Q493-K496 PolarHBondContact O-N 2.87Å; Q493-A497 PolarHBondContact O-N 3.33Å; Q493-I560 HydrophobicContact CB-CD1 4.04Å |
| 494 | A | 97.8 | Very high | 97.4 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 3% | 0.033 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.6 | -47.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L453 N456 I458 E490 C491 K496 A497 M498 | L453-A494 VanDerWaalsContact O-CB 3.25Å; L453-A494 WeakPolarHBondContact O-CB 3.39Å; N456-A494 PolarHBondContact OD1-O 3.37Å; I458-A494 HydrophobicContact CD1-CB 4.14Å; I458-A494 HydrophobicContact CG1-CB 4.34Å; E490-A494 WeakPolarHBondContact O-CB 3.47Å; E490-A494 PolarHBondContact O-N 3.17Å; C491-A494 PolarHBondContact O-N 3.31Å; A494-K496 VanDerWaalsContact C-N 3.31Å; A494-K496 PolarHBondContact O-N 2.83Å; A494-A497 WeakPolarHBondContact O-CB 3.41Å; A494-A497 PolarHBondContact O-N 3.28Å; A494-A497 VanDerWaalsContact O-N 3.1Å; A494-M498 HydrophobicContact CB-CE 4.13Å; A494-M498 VanDerWaalsContact O-CE 3.26Å; A494-M498 WeakPolarHBondContact O-CE 3.43Å; A494-M498 PolarHBondContact O-N 3.42Å |
| 495 | Y | 98.3 | Very high | 97.4 | Very high | 29 Ų | 29 | 32.9 Ų | 32.9 | 11% | 0.114 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -59.8 | -41 | 174.8 | -75.7 | -55.7 | 0 | 0 | 0 | 112.2 | I458 C491 A497 M498 N499 K500 E503 K507 | I458-Y495 HydrophobicContact CD1-CD1 3.46Å; I458-Y495 VanDerWaalsContact CD1-CD1 3.46Å; I458-Y495 HydrophobicContact CD1-CD2 4.09Å; I458-Y495 HydrophobicContact CD1-CE1 3.24Å; I458-Y495 HydrophobicContact CD1-CE2 3.89Å; I458-Y495 HydrophobicContact CD1-CG 3.88Å; I458-Y495 VanDerWaalsContact CD1-CZ 3.47Å; C491-Y495 HydrophobicContact CB-CD2 4.3Å; C491-Y495 HydrophobicContact CB-CE2 4.2Å; C491-Y495 WeakPolarHBondContact O-CB 3.4Å; C491-Y495 WeakPolarHBondContact O-CD2 3.48Å; C491-Y495 PolarHBondContact O-N 3.4Å; Y495-A497 VanDerWaalsContact C-N 3.35Å; Y495-A497 PolarHBondContact O-N 3.27Å; Y495-M498 HydrophobicContact CD1-CE 4.3Å; Y495-M498 CarbonylContact O-C 3.59Å; Y495-M498 PolarHBondContact O-N 3.19Å; Y495-N499 PolarHBondContact O-N 2.98Å; Y495-K500 HydrophobicContact CD1-CB 4Å; Y495-K500 HydrophobicContact CD1-CD 3.95Å; Y495-K500 HydrophobicContact CE1-CD 4.33Å; Y495-K500 PolarHBondContact O-N 3.39Å; Y495-E503 HydrophobicContact CD1-CB 3.73Å; Y495-E503 HydrophobicContact CD1-CG 4.37Å; Y495-E503 HydrophobicContact CD2-CB 3.82Å; Y495-E503 HydrophobicContact CE1-CB 3.9Å; Y495-E503 HydrophobicContact CE1-CG 4.19Å; Y495-E503 HydrophobicContact CE2-CB 3.99Å; Y495-E503 HydrophobicContact CG-CB 3.7Å; Y495-K507 HydrophobicContact CD2-CG 4.39Å; Y495-K507 HydrophobicContact CE2-CG 4.38Å |
| 496 | K | 97.3 | Very high | 97.4 | Very high | 36 Ų | 36 | 34.2 Ų | 34.2 | 16% | 0.157 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -43.4 | 173.1 | 177.3 | 175.5 | 174.9 | -109.1 | 0 | 111.6 | A492 Q493 A494 M498 N499 A504 I560 E563 I564 | A492-K496 WeakPolarHBondContact O-CB 3.31Å; A492-K496 PolarHBondContact O-N 3.44Å; Q493-K496 PolarHBondContact O-N 2.87Å; A494-K496 VanDerWaalsContact C-N 3.31Å; A494-K496 PolarHBondContact O-N 2.83Å; K496-M498 PolarHBondContact O-N 3.08Å; K496-N499 PolarHBondContact O-N 3.42Å; K496-A504 HydrophobicContact CB-CB 4.32Å; K496-I560 HydrophobicContact CB-CG2 4.36Å; K496-I560 HydrophobicContact CD-CG2 4.03Å; K496-E563 WeakPolarHBondContact CE-OE2 3.4Å; K496-E563 IonicContact NZ-OE2 3.02Å; K496-E563 PolarHBondContact NZ-OE2 3.12Å; K496-I564 HydrophobicContact CB-CD1 4.25Å; K496-I564 HydrophobicContact CD-CD1 4.34Å; K496-I564 HydrophobicContact CD-CG1 4.07Å; K496-I564 HydrophobicContact CG-CD1 4.32Å; K496-I564 HydrophobicContact CG-CG1 4.21Å |
| 497 | A | 94.2 | Very high | 97.4 | Very high | 63 Ų | 63 | 31.2 Ų | 31.2 | 52% | 0.521 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -64 | -28.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q493 A494 Y495 N499 | Q493-A497 PolarHBondContact O-N 3.33Å; A494-A497 WeakPolarHBondContact O-CB 3.41Å; A494-A497 PolarHBondContact O-N 3.28Å; A494-A497 VanDerWaalsContact O-N 3.1Å; Y495-A497 VanDerWaalsContact C-N 3.35Å; Y495-A497 PolarHBondContact O-N 3.27Å; A497-N499 VanDerWaalsContact C-N 3.32Å |
| 498 | M | 94.3 | Very high | 97.4 | Very high | 56 Ų | 56 | 31.1 Ų | 31.1 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 8.3 | 173.6 | -68.5 | -179.3 | -93.2 | 0 | 0 | 114.2 | N456 I458 A494 Y495 K496 K500 | N456-M498 HydrophobicContact CB-CE 3.87Å; N456-M498 HydrophobicContact CB-CG 4.05Å; N456-M498 HydrophobicContact CB-SD 3.92Å; I458-M498 HydrophobicContact CD1-CE 3.25Å; I458-M498 HydrophobicContact CG1-CE 3.79Å; A494-M498 HydrophobicContact CB-CE 4.13Å; A494-M498 VanDerWaalsContact O-CE 3.26Å; A494-M498 WeakPolarHBondContact O-CE 3.43Å; A494-M498 PolarHBondContact O-N 3.42Å; Y495-M498 HydrophobicContact CD1-CE 4.3Å; Y495-M498 CarbonylContact O-C 3.59Å; Y495-M498 PolarHBondContact O-N 3.19Å; K496-M498 PolarHBondContact O-N 3.08Å; M498-K500 HydrophobicContact CB-CD 4.38Å; M498-K500 HydrophobicContact CB-CG 4.21Å; M498-K500 PolarHBondContact O-N 3.03Å; M498-K500 VanDerWaalsContact O-N 3.1Å |
| 499 | N | 95.1 | Very high | 97.4 | Very high | 111 Ų | 111 | 32.4 Ų | 32.4 | 59% | 0.594 | 17% | 0.166 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 20.1 | -172.7 | -60.4 | -30.3 | 0 | 0 | 0 | 114.7 | Y495 K496 A497 F501 | Y495-N499 PolarHBondContact O-N 2.98Å; K496-N499 PolarHBondContact O-N 3.42Å; A497-N499 VanDerWaalsContact C-N 3.32Å; N499-F501 HydrophobicContact CB-CZ 4.25Å; N499-F501 PolarHBondContact O-N 2.76Å |
| 500 | K | 96.6 | Very high | 97.4 | Very high | 113 Ų | 113 | 32.7 Ų | 32.7 | 49% | 0.491 | 17% | 0.166 | S | C | . | . | trans | -84.3 | 65.7 | 173.9 | -68.5 | -178.8 | 177 | 175.9 | 0 | 110.2 | Y495 M498 G502 E503 A504 | Y495-K500 HydrophobicContact CD1-CB 4Å; Y495-K500 HydrophobicContact CD1-CD 3.95Å; Y495-K500 HydrophobicContact CE1-CD 4.33Å; Y495-K500 PolarHBondContact O-N 3.39Å; M498-K500 HydrophobicContact CB-CD 4.38Å; M498-K500 HydrophobicContact CB-CG 4.21Å; M498-K500 PolarHBondContact O-N 3.03Å; M498-K500 VanDerWaalsContact O-N 3.1Å; K500-G502 PolarHBondContact O-N 3.48Å; K500-E503 PolarHBondContact O-N 3.42Å; K500-A504 PolarHBondContact O-N 3Å; K500-A504 VanDerWaalsContact O-N 3.15Å | ||
| 501 | F | 96.9 | Very high | 97.4 | Very high | 31 Ų | 31 | 31.6 Ų | 31.6 | 14% | 0.136 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | -170.4 | -63.9 | -37.8 | 0 | 0 | 0 | 114.3 | N499 E503 A504 L505 I564 K567 L568 | N499-F501 HydrophobicContact CB-CZ 4.25Å; N499-F501 PolarHBondContact O-N 2.76Å; F501-E503 PolarHBondContact O-N 3.13Å; F501-A504 PolarHBondContact O-N 3.09Å; F501-L505 WeakPolarHBondContact O-CB 3.47Å; F501-L505 VanDerWaalsContact O-CG 3.32Å; F501-L505 WeakPolarHBondContact O-CG 3.4Å; F501-L505 PolarHBondContact O-N 3.43Å; F501-I564 HydrophobicContact CB-CG2 3.74Å; F501-I564 HydrophobicContact CD1-CB 4.49Å; F501-I564 HydrophobicContact CD1-CD1 4.2Å; F501-I564 HydrophobicContact CD1-CG1 3.84Å; F501-I564 HydrophobicContact CD1-CG2 3.99Å; F501-I564 HydrophobicContact CE1-CG1 4.36Å; F501-I564 HydrophobicContact CG-CG2 3.92Å; F501-K567 HydrophobicContact CZ-CD 4.27Å; F501-L568 HydrophobicContact CD2-CD2 4.05Å |
| 502 | G | 97 | Very high | 97.3 | Very high | 10 Ų | 10 | 33.3 Ų | 33.3 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -44.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | K500 L505 K506 P644 | K500-G502 PolarHBondContact O-N 3.48Å; G502-L505 PolarHBondContact O-N 3.31Å; G502-K506 PolarHBondContact O-N 2.76Å; G502-P644 WeakPolarHBondContact CA-O 3.25Å |
| 503 | E | 97.4 | Very high | 97.3 | Very high | 66 Ų | 66 | 37.3 Ų | 37.3 | 31% | 0.308 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.6 | -38.4 | 179 | -66.7 | -68.2 | -178.7 | 0 | 0 | 111.6 | Y495 K500 F501 K506 K507 P644 | Y495-E503 HydrophobicContact CD1-CB 3.73Å; Y495-E503 HydrophobicContact CD1-CG 4.37Å; Y495-E503 HydrophobicContact CD2-CB 3.82Å; Y495-E503 HydrophobicContact CE1-CB 3.9Å; Y495-E503 HydrophobicContact CE1-CG 4.19Å; Y495-E503 HydrophobicContact CE2-CB 3.99Å; Y495-E503 HydrophobicContact CG-CB 3.7Å; K500-E503 PolarHBondContact O-N 3.42Å; F501-E503 PolarHBondContact O-N 3.13Å; E503-K506 PolarHBondContact O-N 3.02Å; E503-K507 WeakPolarHBondContact O-CG 3.33Å; E503-K507 PolarHBondContact O-N 2.95Å; E503-K507 VanDerWaalsContact O-N 3.09Å; E503-P644 HydrophobicContact CG-CB 4.39Å; E503-P644 HydrophobicContact CG-CG 4.41Å; E503-P644 WeakPolarHBondContact OE2-CG 3.37Å |
| 504 | A | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | A492 K496 K500 F501 K507 C508 I564 | A492-A504 WeakPolarHBondContact O-CB 3.35Å; K496-A504 HydrophobicContact CB-CB 4.32Å; K500-A504 PolarHBondContact O-N 3Å; K500-A504 VanDerWaalsContact O-N 3.15Å; F501-A504 PolarHBondContact O-N 3.09Å; A504-K507 PolarHBondContact O-N 3.16Å; A504-C508 PolarHBondContact O-N 2.9Å; A504-C508 VanDerWaalsContact O-N 3.07Å; A504-C508 PolarHBondContact O-SG 3.31Å; A504-I564 HydrophobicContact CB-CD1 3.5Å; A504-I564 VanDerWaalsContact CB-CD1 3.5Å |
| 505 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -63.9 | -42.9 | 175.8 | -73.5 | 174.8 | 0 | 0 | 0 | 111.6 | F501 G502 K507 C508 H509 A561 I564 Y565 L568 L647 | F501-L505 WeakPolarHBondContact O-CB 3.47Å; F501-L505 VanDerWaalsContact O-CG 3.32Å; F501-L505 WeakPolarHBondContact O-CG 3.4Å; F501-L505 PolarHBondContact O-N 3.43Å; G502-L505 PolarHBondContact O-N 3.31Å; L505-K507 VanDerWaalsContact C-N 3.3Å; L505-K507 PolarHBondContact O-N 2.98Å; L505-C508 WeakPolarHBondContact O-CB 3.46Å; L505-C508 PolarHBondContact O-N 2.68Å; L505-H509 PolarHBondContact O-CD2 2.94Å; L505-H509 VanDerWaalsContact O-CD2 3.22Å; L505-H509 PolarHBondContact O-N 2.95Å; L505-A561 HydrophobicContact CD2-CB 4.19Å; L505-I564 HydrophobicContact CD1-CG2 3.88Å; L505-I564 HydrophobicContact CD2-CB 4.18Å; L505-I564 HydrophobicContact CD2-CD1 4.39Å; L505-I564 HydrophobicContact CD2-CG2 3.95Å; L505-I564 HydrophobicContact CG-CD1 4.4Å; L505-I564 HydrophobicContact CG-CG2 3.84Å; L505-Y565 HydrophobicContact CD1-CD1 4.33Å; L505-Y565 HydrophobicContact CD1-CE1 3.68Å; L505-Y565 HydrophobicContact CD2-CD1 4.47Å; L505-Y565 HydrophobicContact CD2-CD2 4.19Å; L505-Y565 HydrophobicContact CD2-CE1 3.98Å; L505-Y565 HydrophobicContact CD2-CE2 3.67Å; L505-Y565 HydrophobicContact CG-CE1 4.49Å; L505-L568 HydrophobicContact CD1-CD1 4Å; L505-L647 HydrophobicContact CB-CB 4.15Å; L505-L647 HydrophobicContact CB-CD1 4.4Å; L505-L647 HydrophobicContact CD1-CB 4.28Å |
| 506 | K | 98.1 | Very high | 97.2 | Very high | 47 Ų | 47 | 37.9 Ų | 37.9 | 20% | 0.204 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -52.5 | -49.2 | 174.5 | 174.6 | 177.9 | 175 | -177.5 | 0 | 111.2 | G502 E503 C508 H509 E510 L642 P644 L647 | G502-K506 PolarHBondContact O-N 2.76Å; E503-K506 PolarHBondContact O-N 3.02Å; K506-C508 VanDerWaalsContact C-N 3.34Å; K506-C508 PolarHBondContact O-N 2.84Å; K506-H509 PolarHBondContact O-N 3.29Å; K506-E510 WeakPolarHBondContact CE-OE1 3.42Å; K506-E510 WeakPolarHBondContact O-CG 3.47Å; K506-E510 PolarHBondContact O-N 3.35Å; K506-L642 HydrophobicContact CG-CB 4.02Å; K506-L642 HydrophobicContact CG-CD1 4.48Å; K506-P644 HydrophobicContact CB-CG 4.38Å; K506-P644 HydrophobicContact CD-CG 3.91Å; K506-L647 HydrophobicContact CB-CD1 4.09Å |
| 507 | K | 98.2 | Very high | 97.2 | Very high | 6 Ų | 6 | 40.3 Ų | 40.3 | 3% | 0.026 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 177.6 | -69.6 | -80.8 | 159.4 | -77.4 | 0 | 112.8 | Q488 C491 A492 Y495 E503 A504 L505 E510 I511 | Q488-K507 HydrophobicContact CB-CD 4.12Å; Q488-K507 HydrophobicContact CG-CD 4.13Å; C491-K507 HydrophobicContact CB-CD 4.03Å; C491-K507 HydrophobicContact CB-CG 4.25Å; A492-K507 HydrophobicContact CB-CB 3.8Å; Y495-K507 HydrophobicContact CD2-CG 4.39Å; Y495-K507 HydrophobicContact CE2-CG 4.38Å; E503-K507 WeakPolarHBondContact O-CG 3.33Å; E503-K507 PolarHBondContact O-N 2.95Å; E503-K507 VanDerWaalsContact O-N 3.09Å; A504-K507 PolarHBondContact O-N 3.16Å; L505-K507 VanDerWaalsContact C-N 3.3Å; L505-K507 PolarHBondContact O-N 2.98Å; K507-E510 VanDerWaalsContact CD-OE2 3.29Å; K507-E510 WeakPolarHBondContact CD-OE2 3.21Å; K507-E510 WeakPolarHBondContact CE-OE2 3.43Å; K507-E510 VanDerWaalsContact NZ-CD 3.26Å; K507-E510 IonicContact NZ-OE1 2.91Å; K507-E510 PolarHBondContact NZ-OE1 2.53Å; K507-E510 IonicContact NZ-OE2 3.66Å; K507-E510 PolarHBondContact NZ-OE2 2.76Å; K507-E510 PolarHBondContact O-N 2.98Å; K507-I511 WeakPolarHBondContact O-CD1 3.11Å; K507-I511 WeakPolarHBondContact O-CG1 3.46Å; K507-I511 PolarHBondContact O-N 3.28Å |
| 508 | C | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66 | -40.3 | 175.1 | -63 | 0 | 0 | 0 | 0 | 112.4 | A504 L505 K506 I511 E512 A557 A561 F660 | A504-C508 PolarHBondContact O-N 2.9Å; A504-C508 VanDerWaalsContact O-N 3.07Å; A504-C508 PolarHBondContact O-SG 3.31Å; L505-C508 WeakPolarHBondContact O-CB 3.46Å; L505-C508 PolarHBondContact O-N 2.68Å; K506-C508 VanDerWaalsContact C-N 3.34Å; K506-C508 PolarHBondContact O-N 2.84Å; C508-I511 PolarHBondContact O-N 3.12Å; C508-E512 PolarHBondContact O-N 2.77Å; C508-E512 VanDerWaalsContact O-N 3.16Å; C508-A557 PolarHBondContact SG-O 3.42Å; C508-A561 HydrophobicContact CB-CB 3.97Å; C508-F660 HydrophobicContact CB-CZ 4.38Å |
| 509 | H | 98.2 | Very high | 97.4 | Very high | 30 Ų | 30 | 38 Ų | 38 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -69.7 | -35.5 | 176.4 | -81.2 | -80.1 | 0 | 0 | 0 | 112.8 | L505 K506 I511 E512 R513 Y565 L642 F660 | L505-H509 PolarHBondContact O-CD2 2.94Å; L505-H509 VanDerWaalsContact O-CD2 3.22Å; L505-H509 PolarHBondContact O-N 2.95Å; K506-H509 PolarHBondContact O-N 3.29Å; H509-I511 VanDerWaalsContact C-N 3.31Å; H509-I511 PolarHBondContact O-N 2.94Å; H509-E512 PolarHBondContact O-N 3.32Å; H509-R513 WeakPolarHBondContact O-CG 3.45Å; H509-R513 PolarHBondContact O-N 3.05Å; H509-Y565 PolarHBondContact NE2-OH 2.99Å; H509-L642 HydrophobicContact CB-CD1 3.74Å; H509-L642 HydrophobicContact CB-CD2 3.92Å; H509-L642 HydrophobicContact CB-CG 4.49Å; H509-F660 AromaticContact CE1-CE2 3.71Å; H509-F660 AromaticContact CE1-CZ 3.96Å; H509-F660 AromaticContact NE2-CE2 3.82Å |
| 510 | E | 97.8 | Very high | 97.4 | Very high | 9 Ų | 9 | 33.6 Ų | 33.6 | 4% | 0.042 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -58.7 | -42.5 | 170.9 | -72.7 | 166.3 | -173 | 0 | 0 | 111.6 | Q488 K506 K507 R513 H514 L642 | Q488-E510 PolarHBondContact NE2-OE2 3.04Å; K506-E510 WeakPolarHBondContact CE-OE1 3.42Å; K506-E510 WeakPolarHBondContact O-CG 3.47Å; K506-E510 PolarHBondContact O-N 3.35Å; K507-E510 VanDerWaalsContact CD-OE2 3.29Å; K507-E510 WeakPolarHBondContact CD-OE2 3.21Å; K507-E510 WeakPolarHBondContact CE-OE2 3.43Å; K507-E510 VanDerWaalsContact NZ-CD 3.26Å; K507-E510 IonicContact NZ-OE1 2.91Å; K507-E510 PolarHBondContact NZ-OE1 2.53Å; K507-E510 IonicContact NZ-OE2 3.66Å; K507-E510 PolarHBondContact NZ-OE2 2.76Å; K507-E510 PolarHBondContact O-N 2.98Å; E510-R513 WeakPolarHBondContact O-CB 3.5Å; E510-R513 PolarHBondContact O-N 2.9Å; E510-H514 PolarHBondContact O-CD2 2.94Å; E510-H514 PolarHBondContact O-N 3.46Å; E510-H514 VanDerWaalsContact O-N 3.13Å; E510-L642 HydrophobicContact CG-CD1 3.89Å |
| 511 | I | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.3 | -45.2 | 177 | -65 | 160.5 | 0 | 0 | 0 | 111 | Q488 T489 K507 C508 H509 R513 H514 F515 A557 | Q488-I511 HydrophobicContact CB-CD1 3.99Å; Q488-I511 HydrophobicContact CB-CG1 3.97Å; T489-I511 HydrophobicContact CG2-CD1 3.4Å; T489-I511 VanDerWaalsContact CG2-CD1 3.4Å; K507-I511 WeakPolarHBondContact O-CD1 3.11Å; K507-I511 WeakPolarHBondContact O-CG1 3.46Å; K507-I511 PolarHBondContact O-N 3.28Å; C508-I511 PolarHBondContact O-N 3.12Å; H509-I511 VanDerWaalsContact C-N 3.31Å; H509-I511 PolarHBondContact O-N 2.94Å; I511-R513 VanDerWaalsContact C-N 3.26Å; I511-R513 PolarHBondContact O-N 3.39Å; I511-H514 WeakPolarHBondContact O-CB 3.38Å; I511-H514 PolarHBondContact O-N 3.41Å; I511-H514 VanDerWaalsContact O-N 3.09Å; I511-F515 HydrophobicContact CG2-CD2 4.03Å; I511-F515 HydrophobicContact CG2-CE2 3.83Å; I511-F515 WeakPolarHBondContact O-CD2 3.44Å; I511-F515 PolarHBondContact O-N 3.37Å; I511-A557 HydrophobicContact CB-CB 4.05Å; I511-A557 HydrophobicContact CD1-CB 3.73Å; I511-A557 HydrophobicContact CG2-CB 3.87Å |
| 512 | E | 97.8 | Very high | 97.4 | Very high | 37 Ų | 37 | 30.8 Ų | 30.8 | 17% | 0.173 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -59.7 | -37.5 | 174.7 | 171.8 | 55.3 | -165.3 | 0 | 0 | 111.8 | C508 H509 H514 F515 I516 R549 Y554 F660 | C508-E512 PolarHBondContact O-N 2.77Å; C508-E512 VanDerWaalsContact O-N 3.16Å; H509-E512 PolarHBondContact O-N 3.32Å; E512-H514 VanDerWaalsContact C-N 3.29Å; E512-H514 PolarHBondContact O-N 3.48Å; E512-F515 PolarHBondContact O-N 2.91Å; E512-F515 VanDerWaalsContact O-N 3.11Å; E512-I516 HydrophobicContact CG-CD1 4.07Å; E512-I516 HydrophobicContact CG-CG1 4.47Å; E512-I516 WeakPolarHBondContact O-CG1 3.48Å; E512-I516 PolarHBondContact O-N 2.88Å; E512-I516 WeakPolarHBondContact OE1-CG1 3.33Å; E512-R549 IonicContact OE1-CZ 3.63Å; E512-R549 IonicContact OE1-NE 2.72Å; E512-R549 PolarHBondContact OE1-NE 3.23Å; E512-R549 IonicContact OE1-NH2 3.73Å; E512-R549 PolarHBondContact OE1-NH2 3.02Å; E512-R549 IonicContact OE2-CZ 3.31Å; E512-R549 IonicContact OE2-NE 3.12Å; E512-R549 PolarHBondContact OE2-NE 2.9Å; E512-R549 VanDerWaalsContact OE2-NE 3.15Å; E512-R549 IonicContact OE2-NH2 2.68Å; E512-Y554 WeakPolarHBondContact OE2-CE2 3.39Å; E512-F660 HydrophobicContact CB-CE1 4.1Å; E512-F660 HydrophobicContact CB-CZ 4.48Å |
| 513 | R | 96.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 31.5 Ų | 31.5 | 32% | 0.317 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60 | -37.7 | 173.9 | -73.2 | 174 | 177.8 | -160.3 | -6.7 | 112.5 | H509 E510 I511 I516 E517 E640 L642 | H509-R513 WeakPolarHBondContact O-CG 3.45Å; H509-R513 PolarHBondContact O-N 3.05Å; E510-R513 WeakPolarHBondContact O-CB 3.5Å; E510-R513 PolarHBondContact O-N 2.9Å; I511-R513 VanDerWaalsContact C-N 3.26Å; I511-R513 PolarHBondContact O-N 3.39Å; R513-I516 PolarHBondContact O-N 3.42Å; R513-E517 PolarHBondContact O-N 3.3Å; R513-E640 PolarHBondContact NH1-O 3.1Å; R513-E640 PolarHBondContact NH2-O 3.31Å; R513-L642 VanDerWaalsContact CZ-CG 3.4Å; R513-L642 VanDerWaalsContact NH2-CD2 3.31Å |
| 514 | H | 98 | Very high | 97.2 | Very high | 14 Ų | 14 | 34 Ų | 34 | 7% | 0.065 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.7 | -40.6 | 173.9 | -58.2 | -36.5 | 0 | 0 | 0 | 112 | N480 M485 Q488 E510 I511 E512 I516 E517 I518 | N480-H514 PolarHBondContact O-CE1 2.98Å; N480-H514 PolarHBondContact OD1-CE1 3.34Å; M485-H514 HydrophobicContact CE-CB 3.7Å; Q488-H514 PolarHBondContact NE2-NE2 3.09Å; Q488-H514 PolarHBondContact OE1-CD2 3.22Å; Q488-H514 PolarHBondContact OE1-NE2 3.44Å; Q488-H514 VanDerWaalsContact OE1-NE2 3.15Å; E510-H514 PolarHBondContact O-CD2 2.94Å; E510-H514 PolarHBondContact O-N 3.46Å; E510-H514 VanDerWaalsContact O-N 3.13Å; I511-H514 WeakPolarHBondContact O-CB 3.38Å; I511-H514 PolarHBondContact O-N 3.41Å; I511-H514 VanDerWaalsContact O-N 3.09Å; E512-H514 VanDerWaalsContact C-N 3.29Å; E512-H514 PolarHBondContact O-N 3.48Å; H514-I516 VanDerWaalsContact C-N 3.31Å; H514-I516 PolarHBondContact O-N 3.35Å; H514-E517 PolarHBondContact O-N 3.37Å; H514-I518 WeakPolarHBondContact O-CB 3.3Å; H514-I518 WeakPolarHBondContact O-CD1 3.47Å; H514-I518 WeakPolarHBondContact O-CG1 3.34Å; H514-I518 PolarHBondContact O-N 3.5Å |
| 515 | F | 98.1 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 2% | 0.022 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.6 | -31.1 | 174.9 | -80.2 | -84.5 | 0 | 0 | 0 | 113 | M485 I511 E512 T519 L548 R549 H551 F553 Y554 | M485-F515 HydrophobicContact CE-CE2 4.18Å; M485-F515 HydrophobicContact CE-CZ 4.48Å; M485-F515 HydrophobicContact SD-CE2 3.84Å; M485-F515 HydrophobicContact SD-CZ 4.17Å; I511-F515 HydrophobicContact CG2-CD2 4.03Å; I511-F515 HydrophobicContact CG2-CE2 3.83Å; I511-F515 WeakPolarHBondContact O-CD2 3.44Å; I511-F515 PolarHBondContact O-N 3.37Å; E512-F515 PolarHBondContact O-N 2.91Å; E512-F515 VanDerWaalsContact O-N 3.11Å; F515-T519 WeakPolarHBondContact O-CB 3.39Å; F515-T519 PolarHBondContact O-N 2.86Å; F515-T519 PolarHBondContact O-OG1 3.26Å; F515-L548 HydrophobicContact CD1-CD2 3.78Å; F515-L548 HydrophobicContact CD1-CG 3.78Å; F515-L548 HydrophobicContact CE1-CD2 4.49Å; F515-L548 HydrophobicContact CE1-CG 4.07Å; F515-L548 WeakPolarHBondContact CE1-O 3.38Å; F515-R549 HydrophobicContact CB-CG 4.24Å; F515-R549 HydrophobicContact CD1-CG 3.78Å; F515-R549 HydrophobicContact CE1-CG 4.48Å; F515-R549 HydrophobicContact CG-CG 4.12Å; F515-H551 HydrophobicContact CE1-CB 4Å; F515-H551 HydrophobicContact CZ-CB 3.99Å; F515-F553 HydrophobicContact CE2-CB 4.46Å; F515-F553 HydrophobicContact CZ-CB 4.44Å; F515-Y554 AromaticContact CD2-CD2 3.99Å; F515-Y554 HydrophobicContact CD2-CD2 3.99Å; F515-Y554 HydrophobicContact CE2-CD2 4.26Å; F515-Y554 HydrophobicContact CG-CD2 4.26Å |
| 516 | I | 96.6 | Very high | 97.1 | Very high | 78 Ų | 78 | 38.2 Ų | 38.2 | 40% | 0.4 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -66.2 | -49.9 | 171.4 | -66.3 | 166.2 | 0 | 0 | 0 | 110.1 | E512 R513 H514 T519 D520 | E512-I516 HydrophobicContact CG-CD1 4.07Å; E512-I516 HydrophobicContact CG-CG1 4.47Å; E512-I516 WeakPolarHBondContact O-CG1 3.48Å; E512-I516 PolarHBondContact O-N 2.88Å; E512-I516 WeakPolarHBondContact OE1-CG1 3.33Å; R513-I516 PolarHBondContact O-N 3.42Å; H514-I516 VanDerWaalsContact C-N 3.31Å; H514-I516 PolarHBondContact O-N 3.35Å; I516-T519 PolarHBondContact O-N 3.49Å; I516-D520 PolarHBondContact O-N 3.1Å |
| 517 | E | 96.1 | Very high | 96.8 | Very high | 87 Ų | 87 | 38.6 Ų | 38.6 | 41% | 0.407 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -60.1 | -48.2 | -179.7 | -166.2 | 79.2 | 179.8 | 0 | 0 | 111.8 | R513 H514 T519 D520 D521 | R513-E517 PolarHBondContact O-N 3.3Å; H514-E517 PolarHBondContact O-N 3.37Å; E517-T519 VanDerWaalsContact C-N 3.29Å; E517-T519 PolarHBondContact O-N 3.37Å; E517-D520 CarbonylContact O-C 3.57Å; E517-D520 WeakPolarHBondContact O-CA 3.38Å; E517-D520 WeakPolarHBondContact O-CB 3.27Å; E517-D520 PolarHBondContact O-N 3.15Å; E517-D521 PolarHBondContact O-N 3.36Å |
| 518 | I | 97.4 | Very high | 96.8 | Very high | 36 Ų | 36 | 43 Ų | 43 | 19% | 0.185 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 179.4 | -65.7 | 162.8 | 0 | 0 | 0 | 110.8 | M485 H514 D520 D521 L548 | M485-I518 HydrophobicContact CE-CD1 3.78Å; H514-I518 WeakPolarHBondContact O-CB 3.3Å; H514-I518 WeakPolarHBondContact O-CD1 3.47Å; H514-I518 WeakPolarHBondContact O-CG1 3.34Å; H514-I518 PolarHBondContact O-N 3.5Å; I518-D520 VanDerWaalsContact C-N 3.29Å; I518-D520 PolarHBondContact O-N 3.42Å; I518-D521 WeakPolarHBondContact O-CB 3.22Å; I518-D521 PolarHBondContact O-N 3.25Å; I518-L548 HydrophobicContact CB-CD2 3.89Å; I518-L548 HydrophobicContact CG2-CD1 3.91Å; I518-L548 HydrophobicContact CG2-CD2 3.62Å; I518-L548 HydrophobicContact CG2-CG 4.42Å |
| 519 | T | 96.4 | Very high | 96.6 | Very high | 34 Ų | 34 | 43.4 Ų | 43.4 | 21% | 0.209 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -34.4 | 173.6 | -65 | 0 | 0 | 0 | 0 | 112.3 | Q126 F515 I516 E517 Q522 E545 L548 | Q126-T519 PolarHBondContact NE2-O 2.99Å; Q126-T519 VanDerWaalsContact NE2-O 3.08Å; F515-T519 WeakPolarHBondContact O-CB 3.39Å; F515-T519 PolarHBondContact O-N 2.86Å; F515-T519 PolarHBondContact O-OG1 3.26Å; I516-T519 PolarHBondContact O-N 3.49Å; E517-T519 VanDerWaalsContact C-N 3.29Å; E517-T519 PolarHBondContact O-N 3.37Å; T519-Q522 WeakPolarHBondContact O-CG 3.27Å; T519-Q522 PolarHBondContact O-NE2 2.83Å; T519-E545 WeakPolarHBondContact CA-OE2 3.25Å; T519-E545 PolarHBondContact OG1-OE2 3.38Å; T519-L548 WeakPolarHBondContact OG1-CD2 3.47Å |
| 520 | D | 94.9 | Very high | 96.3 | Very high | 19 Ų | 19 | 42.6 Ų | 42.6 | 10% | 0.102 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -74.4 | -29.7 | 175.2 | -83.9 | -31.3 | 0 | 0 | 0 | 113.2 | K94 Y96 I516 E517 I518 Q522 F523 | K94-D520 HydrophobicContact CD-CB 4.43Å; K94-D520 VanDerWaalsContact CD-OD2 3.27Å; K94-D520 WeakPolarHBondContact CD-OD2 3.31Å; K94-D520 VanDerWaalsContact CE-OD2 3.27Å; K94-D520 WeakPolarHBondContact CE-OD2 3.4Å; Y96-D520 WeakPolarHBondContact CE2-OD1 3.42Å; Y96-D520 VanDerWaalsContact CZ-OD1 3.31Å; Y96-D520 PolarHBondContact OH-OD1 3.48Å; I516-D520 PolarHBondContact O-N 3.1Å; E517-D520 CarbonylContact O-C 3.57Å; E517-D520 WeakPolarHBondContact O-CA 3.38Å; E517-D520 WeakPolarHBondContact O-CB 3.27Å; E517-D520 PolarHBondContact O-N 3.15Å; I518-D520 VanDerWaalsContact C-N 3.29Å; I518-D520 PolarHBondContact O-N 3.42Å; D520-Q522 PolarHBondContact O-N 2.82Å; D520-Q522 VanDerWaalsContact O-N 3.12Å; D520-F523 VanDerWaalsContact O-CB 3.24Å; D520-F523 WeakPolarHBondContact O-CB 3.2Å; D520-F523 PolarHBondContact O-N 3.46Å |
| 521 | D | 96 | Very high | 95.9 | Very high | 80 Ų | 80 | 49.8 Ų | 49.8 | 43% | 0.428 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.3 | -25.7 | 179.9 | -74.4 | -29.9 | 0 | 0 | 0 | 112.4 | E517 I518 F523 F525 | E517-D521 PolarHBondContact O-N 3.36Å; I518-D521 WeakPolarHBondContact O-CB 3.22Å; I518-D521 PolarHBondContact O-N 3.25Å; D521-F523 PolarHBondContact O-N 3.46Å; D521-F525 WeakPolarHBondContact O-CD2 3.47Å; D521-F525 VanDerWaalsContact O-CE2 3.32Å; D521-F525 WeakPolarHBondContact O-CE2 3.4Å |
| 522 | Q | 96.1 | Very high | 95.6 | Very high | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -63.9 | -21 | 177 | 87.6 | -172.1 | -90.1 | 0 | 0 | 113.4 | T519 D520 D524 F525 L541 E545 | T519-Q522 WeakPolarHBondContact O-CG 3.27Å; T519-Q522 PolarHBondContact O-NE2 2.83Å; D520-Q522 PolarHBondContact O-N 2.82Å; D520-Q522 VanDerWaalsContact O-N 3.12Å; Q522-D524 PolarHBondContact O-N 2.84Å; Q522-F525 WeakPolarHBondContact O-CB 3.43Å; Q522-F525 PolarHBondContact O-N 3.33Å; Q522-L541 HydrophobicContact CB-CD2 4.28Å; Q522-E545 HydrophobicContact CB-CG 4.1Å |
| 523 | F | 96.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 52.7 Ų | 52.7 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -59.4 | -44.3 | -167.5 | -174.6 | -101.5 | 0 | 0 | 0 | 113.3 | R91 Y96 L122 L123 Q126 D520 D521 F525 H526 | R91-F523 HydrophobicContact CG-CZ 4.49Å; Y96-F523 HydrophobicContact CE1-CD2 4.48Å; L122-F523 HydrophobicContact CB-CE2 3.96Å; L122-F523 HydrophobicContact CB-CZ 3.97Å; L122-F523 HydrophobicContact CD1-CZ 4.48Å; L123-F523 HydrophobicContact CD2-CE2 3.8Å; L123-F523 HydrophobicContact CD2-CZ 4.12Å; Q126-F523 HydrophobicContact CB-CD2 4.13Å; Q126-F523 HydrophobicContact CB-CE2 4.46Å; Q126-F523 HydrophobicContact CG-CD2 4.13Å; D520-F523 VanDerWaalsContact O-CB 3.24Å; D520-F523 WeakPolarHBondContact O-CB 3.2Å; D520-F523 PolarHBondContact O-N 3.46Å; D521-F523 PolarHBondContact O-N 3.46Å; F523-F525 VanDerWaalsContact C-N 3.25Å; F523-F525 PolarHBondContact O-N 3.37Å; F523-H526 AromaticContact CD2-CD2 3.99Å; F523-H526 WeakPolarHBondContact O-CB 3.46Å; F523-H526 PolarHBondContact O-CD2 3.24Å; F523-H526 PolarHBondContact O-N 2.95Å |
| 524 | D | 94.3 | Very high | 95.3 | Very high | 120 Ų | 120 | 49.9 Ų | 49.9 | 64% | 0.642 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -70.2 | -26.5 | -179.8 | -77.2 | -16.1 | 0 | 0 | 0 | 111.8 | Q522 H526 T527 Y528 | Q522-D524 PolarHBondContact O-N 2.84Å; D524-H526 VanDerWaalsContact C-N 3.27Å; D524-H526 PolarHBondContact O-N 2.83Å; D524-T527 PolarHBondContact O-N 3.06Å; D524-T527 PolarHBondContact O-OG1 3Å; D524-Y528 PolarHBondContact O-N 3.43Å; D524-Y528 VanDerWaalsContact O-N 3.15Å |
| 525 | F | 97.6 | Very high | 95.2 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 39% | 0.386 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.6 | -24.9 | 179.8 | -65.9 | -81.1 | 0 | 0 | 0 | 113.2 | D521 Q522 F523 T527 Y528 C529 L541 | D521-F525 WeakPolarHBondContact O-CD2 3.47Å; D521-F525 VanDerWaalsContact O-CE2 3.32Å; D521-F525 WeakPolarHBondContact O-CE2 3.4Å; Q522-F525 WeakPolarHBondContact O-CB 3.43Å; Q522-F525 PolarHBondContact O-N 3.33Å; F523-F525 VanDerWaalsContact C-N 3.25Å; F523-F525 PolarHBondContact O-N 3.37Å; F525-T527 PolarHBondContact O-N 2.8Å; F525-Y528 HydrophobicContact CD1-CD1 4.16Å; F525-Y528 PolarHBondContact O-N 3.46Å; F525-C529 WeakPolarHBondContact O-CB 3.29Å; F525-C529 PolarHBondContact O-N 3.39Å; F525-L541 HydrophobicContact CB-CD2 3.88Å; F525-L541 HydrophobicContact CD2-CD2 4.14Å; F525-L541 HydrophobicContact CG-CD2 4Å |
| 526 | H | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -54 | -42.9 | 174.1 | -60.1 | -38.1 | 0 | 0 | 0 | 112 | L122 I125 Q126 F523 D524 M530 Y538 | L122-H526 HydrophobicContact CD2-CB 3.63Å; I125-H526 HydrophobicContact CG2-CB 4.36Å; Q126-H526 PolarHBondContact OE1-NE2 2.92Å; F523-H526 AromaticContact CD2-CD2 3.99Å; F523-H526 WeakPolarHBondContact O-CB 3.46Å; F523-H526 PolarHBondContact O-CD2 3.24Å; F523-H526 PolarHBondContact O-N 2.95Å; D524-H526 VanDerWaalsContact C-N 3.27Å; D524-H526 PolarHBondContact O-N 2.83Å; H526-M530 WeakPolarHBondContact O-CE 3.33Å; H526-M530 WeakPolarHBondContact O-CG 3.45Å; H526-Y538 AromaticContact ND1-CE2 3.61Å; H526-Y538 AromaticContact ND1-CZ 3.62Å; H526-Y538 PolarHBondContact ND1-OH 2.92Å |
| 527 | T | 93.6 | Very high | 95.3 | Very high | 54 Ų | 54 | 50.5 Ų | 50.5 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -85.7 | -38.3 | 176.8 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | L122 D524 F525 R531 | L122-T527 HydrophobicContact CD1-CG2 3.49Å; L122-T527 VanDerWaalsContact CD1-CG2 3.49Å; L122-T527 HydrophobicContact CD2-CG2 3.53Å; L122-T527 HydrophobicContact CG-CG2 4.14Å; D524-T527 PolarHBondContact O-N 3.06Å; D524-T527 PolarHBondContact O-OG1 3Å; F525-T527 PolarHBondContact O-N 2.8Å; T527-R531 PolarHBondContact O-N 3.29Å |
| 528 | Y | 96.2 | Very high | 95.4 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -63.1 | -48.6 | -175.8 | 178.9 | -92.2 | 0 | 0 | 0 | 111.8 | D524 F525 M530 R531 K532 | D524-Y528 PolarHBondContact O-N 3.43Å; D524-Y528 VanDerWaalsContact O-N 3.15Å; F525-Y528 HydrophobicContact CD1-CD1 4.16Å; F525-Y528 PolarHBondContact O-N 3.46Å; Y528-M530 PolarHBondContact O-N 3.46Å; Y528-R531 WeakPolarHBondContact O-CB 3.29Å; Y528-R531 PolarHBondContact O-N 2.91Å; Y528-R531 VanDerWaalsContact O-N 3.08Å; Y528-K532 HydrophobicContact CD1-CG 4.2Å; Y528-K532 HydrophobicContact CD2-CG 4.45Å; Y528-K532 HydrophobicContact CE1-CB 4.35Å; Y528-K532 HydrophobicContact CE1-CG 3.75Å; Y528-K532 HydrophobicContact CE2-CG 4Å; Y528-K532 PolarHBondContact O-N 2.87Å |
| 529 | C | 96 | Very high | 95.4 | Very high | 9 Ų | 9 | 44.7 Ų | 44.7 | 6% | 0.061 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.1 | -32.6 | -176.6 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | F525 R531 K532 I533 Y538 | F525-C529 WeakPolarHBondContact O-CB 3.29Å; F525-C529 PolarHBondContact O-N 3.39Å; C529-R531 VanDerWaalsContact C-N 3.25Å; C529-R531 PolarHBondContact O-N 3.44Å; C529-K532 PolarHBondContact O-N 3.24Å; C529-I533 WeakPolarHBondContact O-CA 3.05Å; C529-I533 PolarHBondContact O-N 3.02Å; C529-Y538 HydrophobicContact CB-CD1 4.48Å; C529-Y538 HydrophobicContact CB-CD2 3.72Å; C529-Y538 HydrophobicContact CB-CG 3.67Å |
| 530 | M | 90.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 47.1 Ų | 47.1 | 6% | 0.059 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -29.8 | 170.9 | -68.4 | -168.9 | -71.3 | 0 | 0 | 112.6 | I152 H526 Y528 | I152-M530 HydrophobicContact CG2-CB 4.38Å; I152-M530 HydrophobicContact CG2-CG 3.96Å; H526-M530 WeakPolarHBondContact O-CE 3.33Å; H526-M530 WeakPolarHBondContact O-CG 3.45Å; Y528-M530 PolarHBondContact O-N 3.46Å |
| 531 | R | 90.3 | Very high | 95.7 | Very high | 161 Ų | 161 | 48.1 Ų | 48.1 | 61% | 0.608 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -79 | -34.9 | 176.8 | -179.5 | 177.2 | 62.1 | -178.5 | -1.8 | 112.4 | T527 Y528 C529 I533 | T527-R531 PolarHBondContact O-N 3.29Å; Y528-R531 WeakPolarHBondContact O-CB 3.29Å; Y528-R531 PolarHBondContact O-N 2.91Å; Y528-R531 VanDerWaalsContact O-N 3.08Å; C529-R531 VanDerWaalsContact C-N 3.25Å; C529-R531 PolarHBondContact O-N 3.44Å; R531-I533 VanDerWaalsContact O-CD1 3.32Å; R531-I533 WeakPolarHBondContact O-CD1 3.21Å |
| 532 | K | 91.9 | Very high | 95.8 | Very high | 91 Ų | 91 | 44.3 Ų | 44.3 | 40% | 0.396 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -92.9 | -10.6 | -179.2 | -66.9 | -60.3 | -170.6 | 175.2 | 0 | 114.2 | Y528 C529 T534 | Y528-K532 HydrophobicContact CD1-CG 4.2Å; Y528-K532 HydrophobicContact CD2-CG 4.45Å; Y528-K532 HydrophobicContact CE1-CB 4.35Å; Y528-K532 HydrophobicContact CE1-CG 3.75Å; Y528-K532 HydrophobicContact CE2-CG 4Å; Y528-K532 PolarHBondContact O-N 2.87Å; C529-K532 PolarHBondContact O-N 3.24Å; K532-T534 PolarHBondContact O-N 3.29Å |
| 533 | I | 92.3 | Very high | 95.9 | Very high | 6 Ų | 6 | 48 Ų | 48 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 24.6 | 178.5 | -52.1 | 101.9 | 0 | 0 | 0 | 112.8 | I152 E188 E191 L192 C529 R531 L535 | I152-I533 HydrophobicContact CD1-CG1 3.77Å; I152-I533 HydrophobicContact CD1-CG2 4.46Å; E188-I533 HydrophobicContact CB-CB 4.17Å; E188-I533 HydrophobicContact CB-CD1 3.9Å; E188-I533 HydrophobicContact CB-CG1 4.49Å; E188-I533 HydrophobicContact CG-CB 4.43Å; E188-I533 HydrophobicContact CG-CD1 3.73Å; E188-I533 VanDerWaalsContact O-CG2 3.29Å; E188-I533 WeakPolarHBondContact O-CG2 3.49Å; E188-I533 VanDerWaalsContact OE2-CD1 3.24Å; E188-I533 WeakPolarHBondContact OE2-CD1 3.21Å; E191-I533 WeakPolarHBondContact CB-O 3.28Å; L192-I533 HydrophobicContact CB-CG2 4.13Å; C529-I533 WeakPolarHBondContact O-CA 3.05Å; C529-I533 PolarHBondContact O-N 3.02Å; R531-I533 VanDerWaalsContact O-CD1 3.32Å; R531-I533 WeakPolarHBondContact O-CD1 3.21Å; I533-L535 HydrophobicContact CG2-CD1 4.22Å; I533-L535 HydrophobicContact CG2-CG 4.06Å; I533-L535 PolarHBondContact O-N 3.15Å |
| 534 | T | 95.8 | Very high | 96 | Very high | 25 Ų | 25 | 51.3 Ų | 51.3 | 15% | 0.153 | 25% | 0.249 | C | C | . | . | trans | -81.3 | 61.7 | 170.8 | 49.9 | 0 | 0 | 0 | 0 | 110.5 | Y187 K532 Y538 | Y187-T534 HydrophobicContact CE1-CG2 4.08Å; K532-T534 PolarHBondContact O-N 3.29Å; T534-Y538 PolarHBondContact O-N 3.34Å; T534-Y538 VanDerWaalsContact O-N 3.09Å | ||
| 535 | L | 96.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -73.1 | -35.9 | -164.4 | -55.1 | -172.8 | 0 | 0 | 0 | 113.6 | I152 I156 L192 Y195 I533 Y538 V539 | I152-L535 HydrophobicContact CG1-CD1 4.27Å; I152-L535 HydrophobicContact CG2-CD1 3.92Å; I152-L535 HydrophobicContact CG2-CD2 3.49Å; I152-L535 VanDerWaalsContact CG2-CD2 3.49Å; I152-L535 HydrophobicContact CG2-CG 4.37Å; I156-L535 HydrophobicContact CD1-CD2 4.32Å; L192-L535 HydrophobicContact CD1-CD1 4.23Å; Y195-L535 HydrophobicContact CD1-CB 3.97Å; Y195-L535 HydrophobicContact CD1-CD1 3.59Å; Y195-L535 HydrophobicContact CD1-CG 4.44Å; Y195-L535 HydrophobicContact CD2-CB 3.65Å; Y195-L535 HydrophobicContact CE1-CB 4.35Å; Y195-L535 HydrophobicContact CE1-CD1 3.98Å; Y195-L535 HydrophobicContact CE2-CB 4.06Å; Y195-L535 HydrophobicContact CG-CB 3.59Å; Y195-L535 HydrophobicContact CG-CD1 4.03Å; Y195-L535 HydrophobicContact CG-CG 4.43Å; I533-L535 HydrophobicContact CG2-CD1 4.22Å; I533-L535 HydrophobicContact CG2-CG 4.06Å; I533-L535 PolarHBondContact O-N 3.15Å; L535-Y538 WeakPolarHBondContact O-CB 3.43Å; L535-Y538 PolarHBondContact O-N 3.41Å; L535-V539 PolarHBondContact O-N 3.16Å |
| 536 | R | 98 | Very high | 96.1 | Very high | 38 Ų | 38 | 45.9 Ų | 45.9 | 14% | 0.143 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.5 | -54.3 | 175.4 | -60.7 | -178.1 | -69.7 | 155.9 | -1.4 | 110.5 | E191 Y195 D222 A225 Y538 V539 D540 | E191-R536 VanDerWaalsContact CD-NH2 3.33Å; E191-R536 IonicContact OE1-CZ 2.76Å; E191-R536 IonicContact OE1-NE 2.65Å; E191-R536 IonicContact OE1-NH2 2.7Å; E191-R536 PolarHBondContact OE1-NH2 2.89Å; E191-R536 IonicContact OE2-CZ 3.75Å; E191-R536 IonicContact OE2-NE 2.94Å; E191-R536 PolarHBondContact OE2-NE 3.37Å; E191-R536 IonicContact OE2-NH2 2.79Å; E191-R536 PolarHBondContact OE2-NH2 3.04Å; Y195-R536 HydrophobicContact CD2-CG 4.23Å; D222-R536 IonicContact OD2-CZ 2.94Å; D222-R536 IonicContact OD2-NH1 3.81Å; D222-R536 IonicContact OD2-NH2 2.85Å; D222-R536 PolarHBondContact OD2-NH2 3.07Å; A225-R536 VanDerWaalsContact CB-NH1 3.34Å; R536-Y538 PolarHBondContact O-N 3.37Å; R536-V539 WeakPolarHBondContact O-CG2 3.36Å; R536-V539 PolarHBondContact O-N 3.01Å; R536-D540 WeakPolarHBondContact O-CB 3.5Å; R536-D540 VanDerWaalsContact O-CG 3.27Å; R536-D540 PolarHBondContact O-N 3.16Å |
| 537 | S | 98.3 | Very high | 96.2 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 51% | 0.51 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -60.5 | -31.9 | 176.5 | -48.7 | 0 | 0 | 0 | 0 | 113.1 | L541 | S537-L541 WeakPolarHBondContact O-CB 3.45Å; S537-L541 PolarHBondContact O-N 3.33Å |
| 538 | Y | 98.4 | Very high | 96.4 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.4 | -48.7 | 176.2 | 177.9 | -119.7 | 0 | 0 | 0 | 112.3 | I125 I156 H526 C529 T534 L535 R536 D540 L541 L542 | I125-Y538 HydrophobicContact CD1-CE1 4.48Å; I125-Y538 VanDerWaalsContact CD1-OH 3.31Å; I125-Y538 WeakPolarHBondContact CD1-OH 3.45Å; I156-Y538 HydrophobicContact CD1-CD1 3.84Å; I156-Y538 HydrophobicContact CD1-CE1 3.9Å; I156-Y538 HydrophobicContact CG2-CE1 4.23Å; H526-Y538 AromaticContact ND1-CE2 3.61Å; H526-Y538 AromaticContact ND1-CZ 3.62Å; H526-Y538 PolarHBondContact ND1-OH 2.92Å; C529-Y538 HydrophobicContact CB-CD1 4.48Å; C529-Y538 HydrophobicContact CB-CD2 3.72Å; C529-Y538 HydrophobicContact CB-CG 3.67Å; T534-Y538 PolarHBondContact O-N 3.34Å; T534-Y538 VanDerWaalsContact O-N 3.09Å; L535-Y538 WeakPolarHBondContact O-CB 3.43Å; L535-Y538 PolarHBondContact O-N 3.41Å; R536-Y538 PolarHBondContact O-N 3.37Å; Y538-D540 VanDerWaalsContact C-N 3.28Å; Y538-D540 PolarHBondContact O-N 2.97Å; Y538-L541 WeakPolarHBondContact O-CB 3.34Å; Y538-L541 PolarHBondContact O-N 2.86Å; Y538-L542 HydrophobicContact CD1-CD1 4.25Å; Y538-L542 HydrophobicContact CE1-CD1 3.73Å; Y538-L542 HydrophobicContact CE1-CG 4.46Å; Y538-L542 HydrophobicContact CE2-CD1 4.25Å; Y538-L542 HydrophobicContact CE2-CD2 4.04Å; Y538-L542 HydrophobicContact CE2-CG 4.15Å; Y538-L542 WeakPolarHBondContact O-CG 3.34Å; Y538-L542 PolarHBondContact O-N 2.79Å |
| 539 | V | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.2 | -32.2 | 176.6 | -61.8 | 0 | 0 | 0 | 0 | 111.7 | I156 Y195 L535 R536 L542 K543 | I156-V539 HydrophobicContact CG2-CG1 4.37Å; Y195-V539 HydrophobicContact CE2-CG1 3.87Å; Y195-V539 HydrophobicContact CE2-CG2 4.06Å; L535-V539 PolarHBondContact O-N 3.16Å; R536-V539 WeakPolarHBondContact O-CG2 3.36Å; R536-V539 PolarHBondContact O-N 3.01Å; V539-L542 PolarHBondContact O-N 2.97Å; V539-K543 WeakPolarHBondContact O-CB 3.49Å; V539-K543 VanDerWaalsContact O-CG 3.3Å; V539-K543 WeakPolarHBondContact O-CG 3.37Å; V539-K543 PolarHBondContact O-N 2.83Å |
| 540 | D | 98.3 | Very high | 96.6 | Very high | 85 Ų | 85 | 47.9 Ų | 47.9 | 46% | 0.455 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 172.9 | -70 | -17 | 0 | 0 | 0 | 111.7 | R536 Y538 K543 L544 | R536-D540 WeakPolarHBondContact O-CB 3.5Å; R536-D540 VanDerWaalsContact O-CG 3.27Å; R536-D540 PolarHBondContact O-N 3.16Å; Y538-D540 VanDerWaalsContact C-N 3.28Å; Y538-D540 PolarHBondContact O-N 2.97Å; D540-K543 PolarHBondContact O-N 3.34Å; D540-L544 VanDerWaalsContact O-CB 3.29Å; D540-L544 WeakPolarHBondContact O-CB 3.25Å; D540-L544 PolarHBondContact O-N 3.21Å |
| 541 | L | 98.5 | Very high | 96.9 | Very high | 40 Ų | 40 | 51.4 Ų | 51.4 | 21% | 0.209 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.3 | -47.2 | 171.4 | 174.4 | 64.7 | 0 | 0 | 0 | 110.7 | Q522 F525 S537 Y538 K543 L544 E545 | Q522-L541 HydrophobicContact CB-CD2 4.28Å; F525-L541 HydrophobicContact CB-CD2 3.88Å; F525-L541 HydrophobicContact CD2-CD2 4.14Å; F525-L541 HydrophobicContact CG-CD2 4Å; S537-L541 WeakPolarHBondContact O-CB 3.45Å; S537-L541 PolarHBondContact O-N 3.33Å; Y538-L541 WeakPolarHBondContact O-CB 3.34Å; Y538-L541 PolarHBondContact O-N 2.86Å; L541-K543 PolarHBondContact O-N 3.44Å; L541-L544 WeakPolarHBondContact O-CB 3.43Å; L541-L544 PolarHBondContact O-N 3.45Å; L541-E545 HydrophobicContact CD1-CG 4.01Å; L541-E545 HydrophobicContact CG-CG 4.4Å; L541-E545 WeakPolarHBondContact O-CB 3.42Å; L541-E545 VanDerWaalsContact O-CG 3.27Å; L541-E545 WeakPolarHBondContact O-CG 3.39Å; L541-E545 PolarHBondContact O-N 3.36Å |
| 542 | L | 98.2 | Very high | 97.3 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -45.3 | 178.7 | -62.7 | 176.2 | 0 | 0 | 0 | 112 | I125 R128 L160 Y538 V539 L544 E545 D546 | I125-L542 HydrophobicContact CD1-CD1 3.94Å; I125-L542 HydrophobicContact CG1-CD1 4.4Å; R128-L542 PolarHBondContact NH2-O 3.15Å; L160-L542 HydrophobicContact CD1-CD1 3.77Å; L160-L542 HydrophobicContact CD2-CD1 4.22Å; Y538-L542 HydrophobicContact CD1-CD1 4.25Å; Y538-L542 HydrophobicContact CE1-CD1 3.73Å; Y538-L542 HydrophobicContact CE1-CG 4.46Å; Y538-L542 HydrophobicContact CE2-CD1 4.25Å; Y538-L542 HydrophobicContact CE2-CD2 4.04Å; Y538-L542 HydrophobicContact CE2-CG 4.15Å; Y538-L542 WeakPolarHBondContact O-CG 3.34Å; Y538-L542 PolarHBondContact O-N 2.79Å; V539-L542 PolarHBondContact O-N 2.97Å; L542-L544 VanDerWaalsContact C-N 3.33Å; L542-L544 PolarHBondContact O-N 3.46Å; L542-E545 PolarHBondContact O-N 3.15Å; L542-D546 PolarHBondContact O-N 2.88Å; L542-D546 VanDerWaalsContact O-N 3.07Å |
| 543 | K | 97.5 | Very high | 97.6 | Very high | 81 Ų | 81 | 47 Ų | 47 | 35% | 0.352 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -37.1 | 176.9 | -72.2 | 176.8 | -178.7 | -176.9 | 0 | 111.5 | E202 V539 D540 L541 | E202-K543 VanDerWaalsContact CD-NZ 3.33Å; E202-K543 IonicContact OE1-NZ 2.81Å; E202-K543 PolarHBondContact OE1-NZ 3.25Å; E202-K543 IonicContact OE2-NZ 3.09Å; E202-K543 PolarHBondContact OE2-NZ 3.38Å; V539-K543 WeakPolarHBondContact O-CB 3.49Å; V539-K543 VanDerWaalsContact O-CG 3.3Å; V539-K543 WeakPolarHBondContact O-CG 3.37Å; V539-K543 PolarHBondContact O-N 2.83Å; D540-K543 PolarHBondContact O-N 3.34Å; L541-K543 PolarHBondContact O-N 3.44Å |
| 544 | L | 98.3 | Very high | 97.9 | Very high | 94 Ų | 94 | 46.9 Ų | 46.9 | 49% | 0.492 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.3 | -48.1 | 173.4 | 171.2 | 64.5 | 0 | 0 | 0 | 111.3 | D540 L541 L542 D546 V547 L548 | D540-L544 VanDerWaalsContact O-CB 3.29Å; D540-L544 WeakPolarHBondContact O-CB 3.25Å; D540-L544 PolarHBondContact O-N 3.21Å; L541-L544 WeakPolarHBondContact O-CB 3.43Å; L541-L544 PolarHBondContact O-N 3.45Å; L542-L544 VanDerWaalsContact C-N 3.33Å; L542-L544 PolarHBondContact O-N 3.46Å; L544-D546 VanDerWaalsContact C-N 3.29Å; L544-D546 PolarHBondContact O-N 3.36Å; L544-V547 CarbonylContact O-C 3.5Å; L544-V547 WeakPolarHBondContact O-CG2 3.41Å; L544-V547 PolarHBondContact O-N 3.03Å; L544-L548 PolarHBondContact O-N 3.35Å |
| 545 | E | 97.9 | Very high | 98 | Very high | 18 Ų | 18 | 47 Ų | 47 | 8% | 0.084 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.5 | -34.6 | -177.4 | -72.3 | -62.6 | 161 | 0 | 0 | 112.6 | T519 Q522 L541 L542 V547 L548 | T519-E545 WeakPolarHBondContact CA-OE2 3.25Å; T519-E545 PolarHBondContact OG1-OE2 3.38Å; Q522-E545 HydrophobicContact CB-CG 4.1Å; L541-E545 HydrophobicContact CD1-CG 4.01Å; L541-E545 HydrophobicContact CG-CG 4.4Å; L541-E545 WeakPolarHBondContact O-CB 3.42Å; L541-E545 VanDerWaalsContact O-CG 3.27Å; L541-E545 WeakPolarHBondContact O-CG 3.39Å; L541-E545 PolarHBondContact O-N 3.36Å; L542-E545 PolarHBondContact O-N 3.15Å; E545-V547 PolarHBondContact O-N 3.19Å; E545-V547 VanDerWaalsContact O-N 3.08Å; E545-L548 PolarHBondContact O-N 3.46Å; E545-L548 WeakPolarHBondContact OE2-CD2 3.14Å |
| 546 | D | 97.4 | Very high | 98.1 | Very high | 77 Ų | 77 | 49.4 Ų | 49.4 | 41% | 0.412 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.6 | 175.2 | -68.8 | -10.1 | 0 | 0 | 0 | 112.8 | R128 L542 L544 | R128-D546 IonicContact CZ-OD1 3.21Å; R128-D546 IonicContact NE-OD1 3.62Å; R128-D546 PolarHBondContact NE-OD1 2.84Å; R128-D546 IonicContact NE-OD2 3.5Å; R128-D546 IonicContact NH2-OD1 2.91Å; R128-D546 PolarHBondContact NH2-OD1 3.22Å; L542-D546 PolarHBondContact O-N 2.88Å; L542-D546 VanDerWaalsContact O-N 3.07Å; L544-D546 VanDerWaalsContact C-N 3.29Å; L544-D546 PolarHBondContact O-N 3.36Å |
| 547 | V | 97.9 | Very high | 98.2 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 29% | 0.285 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | 16.5 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 113.6 | L544 E545 R549 Q550 L667 | L544-V547 CarbonylContact O-C 3.5Å; L544-V547 WeakPolarHBondContact O-CG2 3.41Å; L544-V547 PolarHBondContact O-N 3.03Å; E545-V547 PolarHBondContact O-N 3.19Å; E545-V547 VanDerWaalsContact O-N 3.08Å; V547-R549 PolarHBondContact O-N 2.91Å; V547-Q550 HydrophobicContact CB-CG 3.97Å; V547-Q550 VanDerWaalsContact O-CB 3.22Å; V547-Q550 WeakPolarHBondContact O-CB 3.5Å; V547-Q550 VanDerWaalsContact O-CG 3.31Å; V547-Q550 WeakPolarHBondContact O-CG 3.32Å; V547-Q550 PolarHBondContact O-N 2.86Å; V547-L667 HydrophobicContact CG1-CD2 4.29Å |
| 548 | L | 98.1 | Very high | 98.2 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -51.6 | -42.3 | -170.9 | -174.7 | 71.3 | 0 | 0 | 0 | 113.1 | F515 I518 T519 L544 E545 Q550 H551 | F515-L548 HydrophobicContact CD1-CD2 3.78Å; F515-L548 HydrophobicContact CD1-CG 3.78Å; F515-L548 HydrophobicContact CE1-CD2 4.49Å; F515-L548 HydrophobicContact CE1-CG 4.07Å; F515-L548 WeakPolarHBondContact CE1-O 3.38Å; I518-L548 HydrophobicContact CB-CD2 3.89Å; I518-L548 HydrophobicContact CG2-CD1 3.91Å; I518-L548 HydrophobicContact CG2-CD2 3.62Å; I518-L548 HydrophobicContact CG2-CG 4.42Å; T519-L548 WeakPolarHBondContact OG1-CD2 3.47Å; L544-L548 PolarHBondContact O-N 3.35Å; E545-L548 PolarHBondContact O-N 3.46Å; E545-L548 WeakPolarHBondContact OE2-CD2 3.14Å; L548-Q550 PolarHBondContact O-N 2.97Å; L548-Q550 VanDerWaalsContact O-N 3.15Å; L548-H551 WeakPolarHBondContact O-CB 3.37Å; L548-H551 PolarHBondContact O-N 3.26Å; L548-H551 VanDerWaalsContact O-N 3.14Å |
| 549 | R | 98.2 | Very high | 98.2 | Very high | 40 Ų | 40 | 47.8 Ų | 47.8 | 15% | 0.151 | 24% | 0.235 | C | C | . | . | G | 310 helix | trans | -74.4 | 4.5 | -179.8 | -70.7 | 175.1 | 178.8 | 72.8 | -4.6 | 114.3 | E512 F515 V547 H551 Y554 P663 L667 | E512-R549 IonicContact OE1-CZ 3.63Å; E512-R549 IonicContact OE1-NE 2.72Å; E512-R549 PolarHBondContact OE1-NE 3.23Å; E512-R549 IonicContact OE1-NH2 3.73Å; E512-R549 PolarHBondContact OE1-NH2 3.02Å; E512-R549 IonicContact OE2-CZ 3.31Å; E512-R549 IonicContact OE2-NE 3.12Å; E512-R549 PolarHBondContact OE2-NE 2.9Å; E512-R549 VanDerWaalsContact OE2-NE 3.15Å; E512-R549 IonicContact OE2-NH2 2.68Å; F515-R549 HydrophobicContact CB-CG 4.24Å; F515-R549 HydrophobicContact CD1-CG 3.78Å; F515-R549 HydrophobicContact CE1-CG 4.48Å; F515-R549 HydrophobicContact CG-CG 4.12Å; V547-R549 PolarHBondContact O-N 2.91Å; R549-H551 PolarHBondContact O-N 3.45Å; R549-Y554 HydrophobicContact CB-CD1 3.83Å; R549-Y554 HydrophobicContact CB-CD2 4.16Å; R549-Y554 HydrophobicContact CB-CE1 4.19Å; R549-Y554 HydrophobicContact CB-CG 3.81Å; R549-Y554 HydrophobicContact CG-CD1 4.36Å; R549-Y554 HydrophobicContact CG-CD2 3.79Å; R549-Y554 HydrophobicContact CG-CE2 4.05Å; R549-Y554 HydrophobicContact CG-CG 3.96Å; R549-Y554 VanDerWaalsContact O-CD1 3.27Å; R549-Y554 WeakPolarHBondContact O-CD1 3.31Å; R549-P663 HydrophobicContact CB-CB 4.08Å; R549-L667 HydrophobicContact CB-CD1 3.87Å |
| 550 | Q | 97.4 | Very high | 98.2 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 44% | 0.444 | 24% | 0.235 | S | C | . | . | G | 310 helix | trans | -68.4 | -18.3 | 162.5 | -69.5 | -176.4 | -8.5 | 0 | 0 | 112.2 | V547 L548 L667 V668 | V547-Q550 HydrophobicContact CB-CG 3.97Å; V547-Q550 VanDerWaalsContact O-CB 3.22Å; V547-Q550 WeakPolarHBondContact O-CB 3.5Å; V547-Q550 VanDerWaalsContact O-CG 3.31Å; V547-Q550 WeakPolarHBondContact O-CG 3.32Å; V547-Q550 PolarHBondContact O-N 2.86Å; L548-Q550 PolarHBondContact O-N 2.97Å; L548-Q550 VanDerWaalsContact O-N 3.15Å; Q550-L667 HydrophobicContact CG-CB 3.63Å; Q550-L667 PolarHBondContact NE2-O 2.79Å; Q550-V668 HydrophobicContact CG-CG2 4.43Å |
| 551 | H | 98.4 | Very high | 98.2 | Very high | 85 Ų | 85 | 43.7 Ų | 43.7 | 39% | 0.394 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -58.4 | 136.6 | -177.1 | -167.5 | -90.6 | 0 | 0 | 0 | 112 | F515 L548 R549 F553 Y554 F555 | F515-H551 HydrophobicContact CE1-CB 4Å; F515-H551 HydrophobicContact CZ-CB 3.99Å; L548-H551 WeakPolarHBondContact O-CB 3.37Å; L548-H551 PolarHBondContact O-N 3.26Å; L548-H551 VanDerWaalsContact O-N 3.14Å; R549-H551 PolarHBondContact O-N 3.45Å; H551-F553 AromaticContact CE1-CD2 3.14Å; H551-F553 WeakPolarHBondContact CE1-CD2 3.42Å; H551-F553 AromaticContact CE1-CE2 3.63Å; H551-F553 AromaticContact CE1-CG 3.77Å; H551-F553 AromaticContact ND1-CD2 3.42Å; H551-F553 WeakPolarHBondContact ND1-CD2 3.41Å; H551-F553 AromaticContact ND1-CG 3.74Å; H551-F553 PolarHBondContact ND1-N 3.19Å; H551-F553 PolarHBondContact O-N 3.21Å; H551-Y554 WeakPolarHBondContact O-CB 3.34Å; H551-Y554 PolarHBondContact O-N 2.87Å; H551-F555 PolarHBondContact O-N 2.97Å |
| 552 | P | 98.3 | Very high | 98.2 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 59% | 0.591 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -56.9 | -27.1 | -176.4 | -29.4 | 36.2 | 0 | 0 | 0 | 115.9 | Y554 F555 K556 | P552-Y554 VanDerWaalsContact C-N 3.35Å; P552-F555 PolarHBondContact O-N 3.02Å; P552-K556 PolarHBondContact O-N 3.46Å |
| 553 | F | 98.5 | Very high | 98.2 | Very high | 70 Ų | 70 | 44.1 Ų | 44.1 | 31% | 0.307 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -63.3 | -40 | 174.5 | -71.5 | -45.5 | 0 | 0 | 0 | 112.3 | M485 W486 T489 F515 H551 K556 A557 | M485-F553 HydrophobicContact CB-CB 4.13Å; M485-F553 HydrophobicContact CB-CD1 4.09Å; M485-F553 HydrophobicContact CB-CD2 3.69Å; M485-F553 HydrophobicContact CB-CE1 4.45Å; M485-F553 HydrophobicContact CB-CE2 4.11Å; M485-F553 HydrophobicContact CB-CG 3.73Å; M485-F553 HydrophobicContact CB-CZ 4.48Å; M485-F553 HydrophobicContact CG-CD2 4.29Å; M485-F553 HydrophobicContact SD-CB 3.76Å; M485-F553 HydrophobicContact SD-CD2 3.64Å; M485-F553 HydrophobicContact SD-CG 4Å; W486-F553 HydrophobicContact CB-CE1 4Å; W486-F553 HydrophobicContact CB-CZ 4.01Å; T489-F553 HydrophobicContact CG2-CD1 4.21Å; F515-F553 HydrophobicContact CE2-CB 4.46Å; F515-F553 HydrophobicContact CZ-CB 4.44Å; H551-F553 AromaticContact CE1-CD2 3.14Å; H551-F553 WeakPolarHBondContact CE1-CD2 3.42Å; H551-F553 AromaticContact CE1-CE2 3.63Å; H551-F553 AromaticContact CE1-CG 3.77Å; H551-F553 AromaticContact ND1-CD2 3.42Å; H551-F553 WeakPolarHBondContact ND1-CD2 3.41Å; H551-F553 AromaticContact ND1-CG 3.74Å; H551-F553 PolarHBondContact ND1-N 3.19Å; H551-F553 PolarHBondContact O-N 3.21Å; F553-K556 PolarHBondContact O-N 2.73Å; F553-A557 PolarHBondContact O-N 3.46Å; F553-A557 VanDerWaalsContact O-N 3.08Å |
| 554 | Y | 98.6 | Very high | 98.2 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 1% | 0.012 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -50 | 174.8 | -176.7 | -98.2 | 0 | 0 | 0 | 110.4 | E512 F515 R549 H551 P552 K556 A557 A558 F660 P663 L664 | E512-Y554 WeakPolarHBondContact OE2-CE2 3.39Å; F515-Y554 AromaticContact CD2-CD2 3.99Å; F515-Y554 HydrophobicContact CD2-CD2 3.99Å; F515-Y554 HydrophobicContact CE2-CD2 4.26Å; F515-Y554 HydrophobicContact CG-CD2 4.26Å; R549-Y554 HydrophobicContact CB-CD1 3.83Å; R549-Y554 HydrophobicContact CB-CD2 4.16Å; R549-Y554 HydrophobicContact CB-CE1 4.19Å; R549-Y554 HydrophobicContact CB-CG 3.81Å; R549-Y554 HydrophobicContact CG-CD1 4.36Å; R549-Y554 HydrophobicContact CG-CD2 3.79Å; R549-Y554 HydrophobicContact CG-CE2 4.05Å; R549-Y554 HydrophobicContact CG-CG 3.96Å; R549-Y554 VanDerWaalsContact O-CD1 3.27Å; R549-Y554 WeakPolarHBondContact O-CD1 3.31Å; H551-Y554 WeakPolarHBondContact O-CB 3.34Å; H551-Y554 PolarHBondContact O-N 2.87Å; P552-Y554 VanDerWaalsContact C-N 3.35Å; Y554-K556 VanDerWaalsContact C-N 3.31Å; Y554-K556 PolarHBondContact O-N 2.88Å; Y554-A557 PolarHBondContact O-N 3.09Å; Y554-A558 HydrophobicContact CD1-CB 4.47Å; Y554-A558 HydrophobicContact CE1-CB 4.07Å; Y554-A558 VanDerWaalsContact O-CB 3.29Å; Y554-A558 WeakPolarHBondContact O-CB 3.45Å; Y554-A558 PolarHBondContact O-N 3.13Å; Y554-F660 PolarHBondContact OH-O 3.46Å; Y554-F660 VanDerWaalsContact OH-O 3.07Å; Y554-P663 HydrophobicContact CE1-CB 3.69Å; Y554-P663 HydrophobicContact CE1-CG 4.25Å; Y554-P663 WeakPolarHBondContact OH-CD 3.4Å; Y554-P663 WeakPolarHBondContact OH-CG 3.44Å; Y554-L664 HydrophobicContact CD1-CD2 3.64Å; Y554-L664 HydrophobicContact CE1-CD2 3.6Å; Y554-L664 HydrophobicContact CE1-CG 4.05Å |
| 555 | F | 98.4 | Very high | 98.2 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 11% | 0.114 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.2 | -42.8 | 178.7 | -176.4 | -88.5 | 0 | 0 | 0 | 112.3 | H551 P552 R559 L664 V668 K671 E673 | H551-F555 PolarHBondContact O-N 2.97Å; P552-F555 PolarHBondContact O-N 3.02Å; F555-R559 VanDerWaalsContact O-CB 3.23Å; F555-R559 WeakPolarHBondContact O-CB 3.28Å; F555-R559 PolarHBondContact O-N 3.33Å; F555-L664 HydrophobicContact CB-CD2 4.45Å; F555-L664 HydrophobicContact CD2-CD1 4.15Å; F555-L664 HydrophobicContact CD2-CD2 3.89Å; F555-L664 HydrophobicContact CE2-CD1 4.37Å; F555-V668 HydrophobicContact CD2-CG1 4.34Å; F555-K671 HydrophobicContact CE2-CB 4.22Å; F555-K671 HydrophobicContact CE2-CG 4.3Å; F555-E673 HydrophobicContact CZ-CB 3.97Å; F555-E673 HydrophobicContact CZ-CG 4.45Å |
| 556 | K | 98.3 | Very high | 98.2 | Very high | 51 Ų | 51 | 35.6 Ų | 35.6 | 22% | 0.222 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -65.7 | -43 | 179.3 | -175.9 | 151.9 | 179.6 | -178.9 | 0 | 112.4 | T489 E490 P552 F553 Y554 I560 | T489-K556 HydrophobicContact CG2-CB 4.37Å; T489-K556 HydrophobicContact CG2-CG 4.33Å; E490-K556 IonicContact OE1-NZ 2.67Å; E490-K556 IonicContact OE2-NZ 2.82Å; P552-K556 PolarHBondContact O-N 3.46Å; F553-K556 PolarHBondContact O-N 2.73Å; Y554-K556 VanDerWaalsContact C-N 3.31Å; Y554-K556 PolarHBondContact O-N 2.88Å; K556-I560 HydrophobicContact CG-CD1 4.16Å; K556-I560 WeakPolarHBondContact O-CG1 3.49Å; K556-I560 PolarHBondContact O-N 3.32Å |
| 557 | A | 98.5 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.7 | -49.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C508 I511 F553 Y554 R559 I560 A561 | C508-A557 PolarHBondContact SG-O 3.42Å; I511-A557 HydrophobicContact CB-CB 4.05Å; I511-A557 HydrophobicContact CD1-CB 3.73Å; I511-A557 HydrophobicContact CG2-CB 3.87Å; F553-A557 PolarHBondContact O-N 3.46Å; F553-A557 VanDerWaalsContact O-N 3.08Å; Y554-A557 PolarHBondContact O-N 3.09Å; A557-R559 VanDerWaalsContact C-N 3.33Å; A557-R559 PolarHBondContact O-N 3.46Å; A557-I560 PolarHBondContact O-N 3.36Å; A557-A561 WeakPolarHBondContact O-CB 3.39Å; A557-A561 PolarHBondContact O-N 2.83Å |
| 558 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.3 | -42.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y554 A561 I562 F660 L664 | Y554-A558 HydrophobicContact CD1-CB 4.47Å; Y554-A558 HydrophobicContact CE1-CB 4.07Å; Y554-A558 VanDerWaalsContact O-CB 3.29Å; Y554-A558 WeakPolarHBondContact O-CB 3.45Å; Y554-A558 PolarHBondContact O-N 3.13Å; A558-A561 PolarHBondContact O-N 3.29Å; A558-I562 WeakPolarHBondContact O-CB 3.47Å; A558-I562 WeakPolarHBondContact O-CD1 3.39Å; A558-I562 WeakPolarHBondContact O-CG1 3.39Å; A558-I562 PolarHBondContact O-N 3.16Å; A558-F660 HydrophobicContact CB-CB 4.07Å; A558-F660 HydrophobicContact CB-CD1 4.09Å; A558-L664 HydrophobicContact CB-CD1 3.92Å; A558-L664 HydrophobicContact CB-CG 4.34Å |
| 559 | R | 98.6 | Very high | 97.8 | Very high | 77 Ų | 77 | 37.4 Ų | 37.4 | 29% | 0.291 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.6 | -51.3 | 174.9 | -178.2 | -178.3 | 71.8 | 172.8 | 9.7 | 111.9 | F555 A557 A561 I562 E563 F677 | F555-R559 VanDerWaalsContact O-CB 3.23Å; F555-R559 WeakPolarHBondContact O-CB 3.28Å; F555-R559 PolarHBondContact O-N 3.33Å; A557-R559 VanDerWaalsContact C-N 3.33Å; A557-R559 PolarHBondContact O-N 3.46Å; R559-A561 VanDerWaalsContact C-N 3.34Å; R559-A561 PolarHBondContact O-N 3.48Å; R559-I562 PolarHBondContact O-N 2.93Å; R559-E563 WeakPolarHBondContact CG-OE1 3.33Å; R559-E563 WeakPolarHBondContact O-CB 3.36Å; R559-E563 VanDerWaalsContact O-CG 3.28Å; R559-E563 WeakPolarHBondContact O-CG 3.3Å; R559-E563 PolarHBondContact O-N 3.48Å; R559-F677 HydrophobicContact CB-CE2 4.34Å; R559-F677 HydrophobicContact CG-CE2 3.74Å; R559-F677 HydrophobicContact CG-CZ 3.66Å |
| 560 | I | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.4 | -46.4 | 179.8 | -67.8 | 166.4 | 0 | 0 | 0 | 110.2 | A492 Q493 K496 K556 A557 I564 | A492-I560 HydrophobicContact CB-CD1 4.03Å; A492-I560 HydrophobicContact CB-CG2 4.27Å; Q493-I560 HydrophobicContact CB-CD1 4.04Å; K496-I560 HydrophobicContact CB-CG2 4.36Å; K496-I560 HydrophobicContact CD-CG2 4.03Å; K556-I560 HydrophobicContact CG-CD1 4.16Å; K556-I560 WeakPolarHBondContact O-CG1 3.49Å; K556-I560 PolarHBondContact O-N 3.32Å; A557-I560 PolarHBondContact O-N 3.36Å; I560-I564 HydrophobicContact CG2-CD1 3.81Å; I560-I564 VanDerWaalsContact O-CG1 3.25Å; I560-I564 WeakPolarHBondContact O-CG1 3.48Å; I560-I564 PolarHBondContact O-N 3.23Å; I560-I564 VanDerWaalsContact O-N 3.07Å |
| 561 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -47.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L505 C508 A557 A558 R559 I564 Y565 F660 | L505-A561 HydrophobicContact CD2-CB 4.19Å; C508-A561 HydrophobicContact CB-CB 3.97Å; A557-A561 WeakPolarHBondContact O-CB 3.39Å; A557-A561 PolarHBondContact O-N 2.83Å; A558-A561 PolarHBondContact O-N 3.29Å; R559-A561 VanDerWaalsContact C-N 3.34Å; R559-A561 PolarHBondContact O-N 3.48Å; A561-I564 PolarHBondContact O-N 3.31Å; A561-Y565 HydrophobicContact CB-CD2 4.43Å; A561-Y565 HydrophobicContact CB-CE2 4.29Å; A561-Y565 WeakPolarHBondContact O-CD2 3.25Å; A561-Y565 PolarHBondContact O-N 3.07Å; A561-F660 HydrophobicContact CB-CD1 4.3Å; A561-F660 HydrophobicContact CB-CD2 3.89Å; A561-F660 HydrophobicContact CB-CE1 4.38Å; A561-F660 HydrophobicContact CB-CE2 3.99Å; A561-F660 HydrophobicContact CB-CG 4.06Å; A561-F660 HydrophobicContact CB-CZ 4.24Å |
| 562 | I | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -62.4 | -46.4 | 180 | -66.9 | 162.3 | 0 | 0 | 0 | 110.7 | A558 R559 I564 Y565 L566 A657 F660 L661 L664 F677 I681 | A558-I562 WeakPolarHBondContact O-CB 3.47Å; A558-I562 WeakPolarHBondContact O-CD1 3.39Å; A558-I562 WeakPolarHBondContact O-CG1 3.39Å; A558-I562 PolarHBondContact O-N 3.16Å; R559-I562 PolarHBondContact O-N 2.93Å; I562-I564 VanDerWaalsContact C-N 3.28Å; I562-I564 PolarHBondContact O-N 2.9Å; I562-Y565 PolarHBondContact O-N 2.78Å; I562-L566 HydrophobicContact CG2-CD1 3.92Å; I562-L566 HydrophobicContact CG2-CG 4.25Å; I562-L566 WeakPolarHBondContact O-CB 3.26Å; I562-L566 VanDerWaalsContact O-CG 3.26Å; I562-L566 WeakPolarHBondContact O-CG 3.36Å; I562-L566 PolarHBondContact O-N 2.92Å; I562-A657 HydrophobicContact CG1-CB 4.46Å; I562-F660 HydrophobicContact CD1-CB 4.31Å; I562-F660 HydrophobicContact CG1-CB 4.09Å; I562-L661 HydrophobicContact CD1-CB 4Å; I562-L661 HydrophobicContact CD1-CD1 4.37Å; I562-L664 HydrophobicContact CD1-CD1 4.37Å; I562-F677 HydrophobicContact CB-CD1 4.33Å; I562-F677 HydrophobicContact CG2-CB 4.07Å; I562-F677 HydrophobicContact CG2-CD1 3.49Å; I562-F677 VanDerWaalsContact CG2-CD1 3.49Å; I562-F677 HydrophobicContact CG2-CE1 4.15Å; I562-F677 HydrophobicContact CG2-CG 3.89Å; I562-I681 HydrophobicContact CG2-CD1 4.03Å |
| 563 | E | 97.7 | Very high | 95.9 | Very high | 49 Ų | 49 | 40.9 Ų | 40.9 | 23% | 0.229 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.6 | -40.3 | 176.9 | -72.4 | 170.6 | -168.1 | 0 | 0 | 111.9 | K496 R559 K567 F677 | K496-E563 WeakPolarHBondContact CE-OE2 3.4Å; K496-E563 IonicContact NZ-OE2 3.02Å; K496-E563 PolarHBondContact NZ-OE2 3.12Å; R559-E563 WeakPolarHBondContact CG-OE1 3.33Å; R559-E563 WeakPolarHBondContact O-CB 3.36Å; R559-E563 VanDerWaalsContact O-CG 3.28Å; R559-E563 WeakPolarHBondContact O-CG 3.3Å; R559-E563 PolarHBondContact O-N 3.48Å; E563-K567 WeakPolarHBondContact O-CG 3.3Å; E563-K567 PolarHBondContact O-N 3.21Å; E563-K567 VanDerWaalsContact O-N 3.15Å; E563-F677 HydrophobicContact CG-CE1 3.61Å; E563-F677 HydrophobicContact CG-CZ 3.81Å |
| 564 | I | 98 | Very high | 94.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67 | -47.7 | 176.5 | -69.4 | 169.4 | 0 | 0 | 0 | 110.9 | K496 F501 A504 L505 I560 A561 I562 L566 K567 L568 | K496-I564 HydrophobicContact CB-CD1 4.25Å; K496-I564 HydrophobicContact CD-CD1 4.34Å; K496-I564 HydrophobicContact CD-CG1 4.07Å; K496-I564 HydrophobicContact CG-CD1 4.32Å; K496-I564 HydrophobicContact CG-CG1 4.21Å; F501-I564 HydrophobicContact CB-CG2 3.74Å; F501-I564 HydrophobicContact CD1-CB 4.49Å; F501-I564 HydrophobicContact CD1-CD1 4.2Å; F501-I564 HydrophobicContact CD1-CG1 3.84Å; F501-I564 HydrophobicContact CD1-CG2 3.99Å; F501-I564 HydrophobicContact CE1-CG1 4.36Å; F501-I564 HydrophobicContact CG-CG2 3.92Å; A504-I564 HydrophobicContact CB-CD1 3.5Å; A504-I564 VanDerWaalsContact CB-CD1 3.5Å; L505-I564 HydrophobicContact CD1-CG2 3.88Å; L505-I564 HydrophobicContact CD2-CB 4.18Å; L505-I564 HydrophobicContact CD2-CD1 4.39Å; L505-I564 HydrophobicContact CD2-CG2 3.95Å; L505-I564 HydrophobicContact CG-CD1 4.4Å; L505-I564 HydrophobicContact CG-CG2 3.84Å; I560-I564 HydrophobicContact CG2-CD1 3.81Å; I560-I564 VanDerWaalsContact O-CG1 3.25Å; I560-I564 WeakPolarHBondContact O-CG1 3.48Å; I560-I564 PolarHBondContact O-N 3.23Å; I560-I564 VanDerWaalsContact O-N 3.07Å; A561-I564 PolarHBondContact O-N 3.31Å; I562-I564 VanDerWaalsContact C-N 3.28Å; I562-I564 PolarHBondContact O-N 2.9Å; I564-L566 VanDerWaalsContact C-N 3.3Å; I564-L566 PolarHBondContact O-N 2.81Å; I564-K567 PolarHBondContact O-N 3.45Å; I564-K567 VanDerWaalsContact O-N 3.11Å; I564-L568 HydrophobicContact CG2-CD1 3.76Å; I564-L568 HydrophobicContact CG2-CG 4.13Å; I564-L568 WeakPolarHBondContact O-CG 3.42Å; I564-L568 PolarHBondContact O-N 3.18Å |
| 565 | Y | 98.4 | Very high | 92.1 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -34 | -179.7 | -74.5 | -52 | 0 | 0 | 0 | 113.1 | L505 H509 A561 I562 L568 H569 V650 P653 E656 A657 F660 | L505-Y565 HydrophobicContact CD1-CD1 4.33Å; L505-Y565 HydrophobicContact CD1-CE1 3.68Å; L505-Y565 HydrophobicContact CD2-CD1 4.47Å; L505-Y565 HydrophobicContact CD2-CD2 4.19Å; L505-Y565 HydrophobicContact CD2-CE1 3.98Å; L505-Y565 HydrophobicContact CD2-CE2 3.67Å; L505-Y565 HydrophobicContact CG-CE1 4.49Å; H509-Y565 PolarHBondContact NE2-OH 2.99Å; A561-Y565 HydrophobicContact CB-CD2 4.43Å; A561-Y565 HydrophobicContact CB-CE2 4.29Å; A561-Y565 WeakPolarHBondContact O-CD2 3.25Å; A561-Y565 PolarHBondContact O-N 3.07Å; I562-Y565 PolarHBondContact O-N 2.78Å; Y565-L568 HydrophobicContact CD1-CD1 4.29Å; Y565-H569 WeakPolarHBondContact O-CB 3.29Å; Y565-H569 PolarHBondContact O-N 3.12Å; Y565-V650 HydrophobicContact CD1-CG1 4.32Å; Y565-V650 HydrophobicContact CE1-CG1 3.89Å; Y565-P653 WeakPolarHBondContact CB-O 3.17Å; Y565-P653 HydrophobicContact CD1-CB 3.98Å; Y565-P653 WeakPolarHBondContact O-CB 3.44Å; Y565-E656 HydrophobicContact CD1-CB 4.26Å; Y565-E656 HydrophobicContact CD2-CB 4.06Å; Y565-E656 HydrophobicContact CE1-CB 3.81Å; Y565-E656 HydrophobicContact CE1-CG 4.31Å; Y565-E656 HydrophobicContact CE2-CB 3.58Å; Y565-E656 HydrophobicContact CG-CB 4.38Å; Y565-E656 VanDerWaalsContact CZ-CB 3.44Å; Y565-A657 HydrophobicContact CD2-CB 4.17Å; Y565-A657 HydrophobicContact CG-CB 4.34Å; Y565-F660 HydrophobicContact CE2-CD2 4.22Å; Y565-F660 HydrophobicContact CE2-CE2 4.2Å |
| 566 | L | 96.9 | Very high | 89.6 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 6% | 0.063 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -46.6 | 170.6 | -71.3 | 171.7 | 0 | 0 | 0 | 110.9 | I562 I564 H569 D570 L654 F677 E680 I681 | I562-L566 HydrophobicContact CG2-CD1 3.92Å; I562-L566 HydrophobicContact CG2-CG 4.25Å; I562-L566 WeakPolarHBondContact O-CB 3.26Å; I562-L566 VanDerWaalsContact O-CG 3.26Å; I562-L566 WeakPolarHBondContact O-CG 3.36Å; I562-L566 PolarHBondContact O-N 2.92Å; I564-L566 VanDerWaalsContact C-N 3.3Å; I564-L566 PolarHBondContact O-N 2.81Å; L566-H569 PolarHBondContact O-N 3.07Å; L566-D570 VanDerWaalsContact O-CG 3.26Å; L566-D570 PolarHBondContact O-N 3.39Å; L566-L654 HydrophobicContact CD2-CD2 4.09Å; L566-F677 HydrophobicContact CD1-CD1 4.19Å; L566-E680 HydrophobicContact CD1-CB 3.77Å; L566-E680 HydrophobicContact CD1-CG 4.32Å; L566-E680 HydrophobicContact CD2-CB 4.06Å; L566-I681 HydrophobicContact CD2-CG1 3.88Å |
| 567 | K | 94.8 | Very high | 86.9 | Confident | 105 Ų | 105 | 56.2 Ų | 56.2 | 46% | 0.457 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.1 | -41.7 | 176.9 | -73.2 | -172.8 | 177.3 | -160 | 0 | 113 | F501 E563 I564 H569 D570 N571 | F501-K567 HydrophobicContact CZ-CD 4.27Å; E563-K567 WeakPolarHBondContact O-CG 3.3Å; E563-K567 PolarHBondContact O-N 3.21Å; E563-K567 VanDerWaalsContact O-N 3.15Å; I564-K567 PolarHBondContact O-N 3.45Å; I564-K567 VanDerWaalsContact O-N 3.11Å; K567-H569 VanDerWaalsContact C-N 3.28Å; K567-H569 PolarHBondContact O-N 3.09Å; K567-D570 PolarHBondContact O-N 2.91Å; K567-N571 PolarHBondContact O-N 3.36Å |
| 568 | L | 94.8 | Very high | 84.4 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.9 | -29.6 | 177.4 | -71.2 | 173.8 | 0 | 0 | 0 | 112.4 | F501 L505 I564 Y565 N571 P572 L573 P653 | F501-L568 HydrophobicContact CD2-CD2 4.05Å; L505-L568 HydrophobicContact CD1-CD1 4Å; I564-L568 HydrophobicContact CG2-CD1 3.76Å; I564-L568 HydrophobicContact CG2-CG 4.13Å; I564-L568 WeakPolarHBondContact O-CG 3.42Å; I564-L568 PolarHBondContact O-N 3.18Å; Y565-L568 HydrophobicContact CD1-CD1 4.29Å; L568-N571 CarbonylContact O-C 3.25Å; L568-P572 VanDerWaalsContact O-CA 3.24Å; L568-P572 WeakPolarHBondContact O-CA 3.49Å; L568-L573 HydrophobicContact CD2-CD1 4.07Å; L568-L573 HydrophobicContact CD2-CD2 4.47Å; L568-L573 HydrophobicContact CD2-CG 3.91Å; L568-P653 HydrophobicContact CB-CB 4.49Å; L568-P653 HydrophobicContact CB-CG 4.45Å |
| 569 | H | 95.4 | Very high | 81.5 | Confident | 73 Ų | 73 | 69.8 Ų | 69.8 | 34% | 0.338 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.5 | -47.1 | 172.1 | 175 | -80.4 | 0 | 0 | 0 | 111.5 | Y565 L566 K567 P653 L654 | Y565-H569 WeakPolarHBondContact O-CB 3.29Å; Y565-H569 PolarHBondContact O-N 3.12Å; L566-H569 PolarHBondContact O-N 3.07Å; K567-H569 VanDerWaalsContact C-N 3.28Å; K567-H569 PolarHBondContact O-N 3.09Å; H569-P653 HydrophobicContact CB-CB 4.34Å; H569-L654 HydrophobicContact CB-CD2 4.11Å; H569-L654 HydrophobicContact CB-CG 4.28Å; H569-L654 VanDerWaalsContact CD2-CD1 3.43Å; H569-L654 WeakPolarHBondContact CD2-CD1 3.4Å |
| 570 | D | 91.4 | Very high | 78.7 | Confident | 73 Ų | 73 | 70.5 Ų | 70.5 | 39% | 0.39 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.4 | -40.6 | -177.4 | -64.2 | -16.2 | 0 | 0 | 0 | 111.4 | L566 K567 R684 | L566-D570 VanDerWaalsContact O-CG 3.26Å; L566-D570 PolarHBondContact O-N 3.39Å; K567-D570 PolarHBondContact O-N 2.91Å; D570-R684 VanDerWaalsContact CG-NE 3.31Å; D570-R684 WeakPolarHBondContact OD1-CD 3.14Å; D570-R684 IonicContact OD1-CZ 3.57Å; D570-R684 IonicContact OD1-NE 2.67Å; D570-R684 PolarHBondContact OD1-NE 3.16Å; D570-R684 IonicContact OD1-NH2 3.9Å; D570-R684 IonicContact OD2-CZ 3.94Å; D570-R684 VanDerWaalsContact OD2-CZ 3.31Å; D570-R684 IonicContact OD2-NE 3.98Å; D570-R684 PolarHBondContact OD2-NE 3.37Å; D570-R684 VanDerWaalsContact OD2-NE 3.12Å; D570-R684 IonicContact OD2-NH2 2.95Å; D570-R684 PolarHBondContact OD2-NH2 3.4Å |
| 571 | N | 89.7 | Confident | 75.8 | Confident | 127 Ų | 127 | 77.2 Ų | 77.2 | 68% | 0.679 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -128.6 | 79.7 | -178.2 | -56.2 | -7.5 | 0 | 0 | 0 | 109.1 | K567 L568 L573 | K567-N571 PolarHBondContact O-N 3.36Å; L568-N571 CarbonylContact O-C 3.25Å; N571-L573 PolarHBondContact O-N 3.17Å |
| 572 | P | 88.3 | Confident | 73.1 | Confident | 90 Ų | 90 | 80.5 Ų | 80.5 | 58% | 0.584 | 41% | 0.414 | S | S | * | . | trans | -58 | 140 | 176.6 | -23.6 | 34.3 | 0 | 0 | 0 | 111 | L568 T574 | L568-P572 VanDerWaalsContact O-CA 3.24Å; L568-P572 WeakPolarHBondContact O-CA 3.49Å; P572-T574 PolarHBondContact O-N 3.29Å | ||
| 573 | L | 82.8 | Confident | 70.4 | Confident | 94 Ų | 94 | 86.3 Ų | 86.3 | 49% | 0.492 | 45% | 0.445 | S | S | . | . | trans | -63.9 | 108.7 | 173.5 | -62.6 | 176 | 0 | 0 | 0 | 108.2 | L568 N571 A648 | L568-L573 HydrophobicContact CD2-CD1 4.07Å; L568-L573 HydrophobicContact CD2-CD2 4.47Å; L568-L573 HydrophobicContact CD2-CG 3.91Å; N571-L573 PolarHBondContact O-N 3.17Å; L573-A648 HydrophobicContact CD1-CB 3.95Å | ||
| 574 | T | 62.4 | Low | 67.7 | Low | 91 Ų | 91 | 86.2 Ų | 86.2 | 56% | 0.558 | 45% | 0.448 | S | S | * | . | trans | -66.1 | 137.6 | 172.9 | 42.8 | 0 | 0 | 0 | 0 | 109.6 | P572 E576 | P572-T574 PolarHBondContact O-N 3.29Å; T574-E576 PolarHBondContact O-N 2.93Å | ||
| 575 | D | 55.1 | Low | 65.2 | Low | 98 Ų | 98 | 90 Ų | 90 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | trans | -54.5 | 130 | 167.3 | -85.1 | -35.6 | 0 | 0 | 0 | 109 | N577 K578 | D575-N577 PolarHBondContact O-N 3.02Å; D575-K578 PolarHBondContact O-N 3.2Å | ||
| 576 | E | 45.7 | Very low | 62.9 | Low | 163 Ų | 163 | 97.5 Ų | 97.5 | 76% | 0.762 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | -12.4 | 177.2 | -65.4 | -175.7 | 163.4 | 0 | 0 | 113.4 | T574 | T574-E576 PolarHBondContact O-N 2.93Š|
| 577 | N | 43.2 | Very low | 60.5 | Low | 120 Ų | 120 | 100.2 Ų | 100.2 | 64% | 0.642 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -70.2 | -24.6 | 174.5 | -70.3 | -33.5 | 0 | 0 | 0 | 114.5 | D575 | D575-N577 PolarHBondContact O-N 3.02Å |
| 578 | K | 44 | Very low | 58.9 | Low | 148 Ų | 148 | 98.2 Ų | 98.2 | 64% | 0.643 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -84.7 | -30.5 | -177.1 | -76.5 | -174.9 | 177.6 | 177.9 | 0 | 114.3 | D575 H580 E581 | D575-K578 PolarHBondContact O-N 3.2Å; K578-H580 VanDerWaalsContact C-N 3.32Å; K578-E581 PolarHBondContact O-N 3.12Å |
| 579 | E | 38.8 | Very low | 56.9 | Low | 138 Ų | 138 | 105 Ų | 105 | 65% | 0.645 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -69.2 | -33.6 | 172.2 | -76.5 | -175.2 | 155.2 | 0 | 0 | 111.4 | E581 A582 D583 | E579-E581 VanDerWaalsContact C-N 3.29Å; E579-E581 PolarHBondContact O-N 2.88Å; E579-A582 PolarHBondContact O-N 3.33Å; E579-D583 PolarHBondContact O-N 2.97Å |
| 580 | H | 38.6 | Very low | 55.1 | Low | 93 Ų | 93 | 110.5 Ų | 110.5 | 43% | 0.431 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -67.3 | -23.2 | 174.1 | -85.9 | -42.9 | 0 | 0 | 0 | 114.4 | K578 T584 Q599 | K578-H580 VanDerWaalsContact C-N 3.32Å; H580-T584 WeakPolarHBondContact O-CB 3.3Å; H580-T584 VanDerWaalsContact O-CG2 3.24Å; H580-T584 WeakPolarHBondContact O-CG2 3.36Å; H580-T584 PolarHBondContact O-N 2.88Å; H580-T584 PolarHBondContact O-OG1 3.3Å; H580-Q599 PolarHBondContact CE1-NE2 3.05Å; H580-Q599 VanDerWaalsContact CE1-NE2 3.27Å |
| 581 | E | 39.3 | Very low | 53.3 | Low | 141 Ų | 141 | 111.9 Ų | 111.9 | 66% | 0.659 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -79 | -31 | 175.2 | -76.8 | -176 | 161.5 | 0 | 0 | 112.8 | K578 E579 T584 | K578-E581 PolarHBondContact O-N 3.12Å; E579-E581 VanDerWaalsContact C-N 3.29Å; E579-E581 PolarHBondContact O-N 2.88Å; E581-T584 WeakPolarHBondContact CA-OG1 3.46Å; E581-T584 PolarHBondContact O-OG1 3.18Å |
| 582 | A | 40.7 | Very low | 51.5 | Low | 68 Ų | 68 | 107.2 Ų | 107.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.2 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E579 | E579-A582 PolarHBondContact O-N 3.33Å |
| 583 | D | 41.9 | Very low | 50.2 | Low | 122 Ų | 122 | 110.4 Ų | 110.4 | 65% | 0.652 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -77.2 | -19.4 | 178.4 | -82.3 | -16.2 | 0 | 0 | 0 | 113.9 | E579 | E579-D583 PolarHBondContact O-N 2.97Å |
| 584 | T | 42.1 | Very low | 49.2 | Very low | 47 Ų | 47 | 114 Ų | 114 | 29% | 0.288 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -87.1 | -11.7 | 178.1 | 45.4 | 0 | 0 | 0 | 0 | 114.1 | H580 E581 N586 L592 | H580-T584 WeakPolarHBondContact O-CB 3.3Å; H580-T584 VanDerWaalsContact O-CG2 3.24Å; H580-T584 WeakPolarHBondContact O-CG2 3.36Å; H580-T584 PolarHBondContact O-N 2.88Å; H580-T584 PolarHBondContact O-OG1 3.3Å; E581-T584 WeakPolarHBondContact CA-OG1 3.46Å; E581-T584 PolarHBondContact O-OG1 3.18Å; T584-N586 VanDerWaalsContact C-N 3.3Å; T584-N586 PolarHBondContact O-N 3.33Å; T584-L592 HydrophobicContact CG2-CD2 3.69Å |
| 585 | A | 44.9 | Very low | 48.9 | Very low | 80 Ų | 80 | 113 Ų | 113 | 66% | 0.661 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -17.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 586 | N | 50.6 | Low | 49 | Very low | 159 Ų | 159 | 116.2 Ų | 116.2 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 11.9 | -174.9 | -83 | -19.5 | 0 | 0 | 0 | 115.1 | T584 | T584-N586 VanDerWaalsContact C-N 3.3Å; T584-N586 PolarHBondContact O-N 3.33Å |
| 587 | M | 46.2 | Very low | 50 | Low | 69 Ų | 69 | 113.1 Ų | 113.1 | 34% | 0.34 | 57% | 0.571 | S | S | . | * | S | Bend | trans | -112.6 | 144.8 | -175.5 | -72 | -109.8 | -72.8 | 0 | 0 | 112.6 | E591 L592 L595 | M587-E591 HydrophobicContact CE-CB 3.95Å; M587-E591 HydrophobicContact SD-CB 4.26Å; M587-L592 HydrophobicContact CB-CD1 4.5Å; M587-L592 HydrophobicContact CB-CG 4.27Å; M587-L592 WeakPolarHBondContact O-CD1 3.35Å; M587-L595 HydrophobicContact CE-CD1 4.16Å; M587-L595 HydrophobicContact CE-CD2 4.49Å |
| 588 | S | 60.2 | Low | 51.1 | Low | 63 Ų | 63 | 115.2 Ų | 115.2 | 44% | 0.441 | 57% | 0.574 | S | S | . | * | trans | -71.7 | 151.9 | 179.2 | 73 | 0 | 0 | 0 | 0 | 112.6 | K590 E591 L592 | S588-K590 PolarHBondContact O-N 2.86Å; S588-E591 PolarHBondContact N-OE2 3.4Å; S588-E591 PolarHBondContact O-N 3.14Å; S588-E591 PolarHBondContact OG-OE2 3.16Å; S588-L592 PolarHBondContact O-N 3.49Å; S588-L592 VanDerWaalsContact O-N 3.11Å | ||
| 589 | D | 53.3 | Low | 51.8 | Low | 147 Ų | 147 | 111.5 Ų | 111.5 | 79% | 0.786 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -53.6 | -28 | -176.7 | -88.4 | -27.1 | 0 | 0 | 0 | 114.7 | K593 | D589-K593 PolarHBondContact O-N 3.07Å |
| 590 | K | 57 | Low | 53 | Low | 189 Ų | 189 | 113.7 Ų | 113.7 | 82% | 0.822 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -76.7 | -32.3 | 176.8 | -97.9 | 179.5 | 175.5 | 174.3 | 0 | 112.9 | S588 K594 | S588-K590 PolarHBondContact O-N 2.86Å; K590-K594 PolarHBondContact O-N 3.34Å |
| 591 | E | 53.8 | Low | 54.4 | Low | 103 Ų | 103 | 119 Ų | 119 | 48% | 0.481 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -79.9 | -39.2 | 179.5 | -72.3 | 165.7 | 146.1 | 0 | 0 | 111.3 | M587 S588 K593 K594 L595 | M587-E591 HydrophobicContact CE-CB 3.95Å; M587-E591 HydrophobicContact SD-CB 4.26Å; S588-E591 PolarHBondContact N-OE2 3.4Å; S588-E591 PolarHBondContact O-N 3.14Å; S588-E591 PolarHBondContact OG-OE2 3.16Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 3.22Å; E591-K594 PolarHBondContact O-N 3.41Å; E591-K594 VanDerWaalsContact O-N 3.15Å; E591-L595 WeakPolarHBondContact O-CB 3.39Å; E591-L595 PolarHBondContact O-N 3.24Å |
| 592 | L | 52.9 | Low | 55.7 | Low | 28 Ų | 28 | 115 Ų | 115 | 15% | 0.147 | 57% | 0.569 | C | S | . | * | H | α-helix | trans | -54.7 | -41.7 | 171.7 | -90 | 154.1 | 0 | 0 | 0 | 112.7 | T584 M587 S588 R596 | T584-L592 HydrophobicContact CG2-CD2 3.69Å; M587-L592 HydrophobicContact CB-CD1 4.5Å; M587-L592 HydrophobicContact CB-CG 4.27Å; M587-L592 WeakPolarHBondContact O-CD1 3.35Å; S588-L592 PolarHBondContact O-N 3.49Å; S588-L592 VanDerWaalsContact O-N 3.11Å; L592-R596 VanDerWaalsContact O-CB 3.29Å; L592-R596 WeakPolarHBondContact O-CB 3.27Å; L592-R596 VanDerWaalsContact O-CG 3.31Å; L592-R596 WeakPolarHBondContact O-CG 3.38Å; L592-R596 PolarHBondContact O-N 3.17Å |
| 593 | K | 59.8 | Low | 56.9 | Low | 157 Ų | 157 | 117.7 Ų | 117.7 | 68% | 0.683 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.1 | -31.9 | -179.9 | -149.4 | 172.5 | -171.8 | 174 | 0 | 112.6 | D589 E591 N597 | D589-K593 PolarHBondContact O-N 3.07Å; E591-K593 VanDerWaalsContact C-N 3.29Å; E591-K593 PolarHBondContact O-N 3.22Å; K593-N597 WeakPolarHBondContact O-CB 3.38Å; K593-N597 PolarHBondContact O-N 3.04Å |
| 594 | K | 63.1 | Low | 58.3 | Low | 171 Ų | 171 | 119 Ų | 119 | 74% | 0.743 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -76.4 | -41.1 | 177.2 | -132.7 | 178.6 | -175.8 | -178.3 | 0 | 111.2 | K590 E591 N597 K598 | K590-K594 PolarHBondContact O-N 3.34Å; E591-K594 PolarHBondContact O-N 3.41Å; E591-K594 VanDerWaalsContact O-N 3.15Å; K594-N597 PolarHBondContact O-N 3.35Å; K594-K598 WeakPolarHBondContact O-CB 3.28Å; K594-K598 PolarHBondContact O-N 3.27Å |
| 595 | L | 56.3 | Low | 59.7 | Low | 70 Ų | 70 | 124.2 Ų | 124.2 | 37% | 0.366 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.4 | -46.5 | 176.4 | -151.3 | 97.6 | 0 | 0 | 0 | 111.2 | M587 E591 N597 K598 Q599 | M587-L595 HydrophobicContact CE-CD1 4.16Å; M587-L595 HydrophobicContact CE-CD2 4.49Å; E591-L595 WeakPolarHBondContact O-CB 3.39Å; E591-L595 PolarHBondContact O-N 3.24Å; L595-N597 VanDerWaalsContact C-N 3.31Å; L595-N597 PolarHBondContact O-N 2.9Å; L595-K598 PolarHBondContact O-N 3.48Å; L595-K598 VanDerWaalsContact O-N 3.12Å; L595-Q599 WeakPolarHBondContact O-CB 3.43Å; L595-Q599 PolarHBondContact O-N 2.69Å |
| 596 | R | 57.5 | Low | 60.8 | Low | 164 Ų | 164 | 123 Ų | 123 | 62% | 0.619 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -60.7 | -36.3 | 176.2 | -78.9 | 178.5 | 174 | 177.3 | -0.4 | 113.1 | L592 R600 | L592-R596 VanDerWaalsContact O-CB 3.29Å; L592-R596 WeakPolarHBondContact O-CB 3.27Å; L592-R596 VanDerWaalsContact O-CG 3.31Å; L592-R596 WeakPolarHBondContact O-CG 3.38Å; L592-R596 PolarHBondContact O-N 3.17Å; R596-R600 VanDerWaalsContact O-CB 3.27Å; R596-R600 WeakPolarHBondContact O-CB 3.24Å; R596-R600 PolarHBondContact O-N 3.44Å |
| 597 | N | 65.4 | Low | 61.7 | Low | 99 Ų | 99 | 120.9 Ų | 120.9 | 53% | 0.529 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -73.4 | -33.8 | 175.1 | -90.2 | -13.4 | 0 | 0 | 0 | 112.9 | K593 K594 L595 R601 | K593-N597 WeakPolarHBondContact O-CB 3.38Å; K593-N597 PolarHBondContact O-N 3.04Å; K594-N597 PolarHBondContact O-N 3.35Å; L595-N597 VanDerWaalsContact C-N 3.31Å; L595-N597 PolarHBondContact O-N 2.9Å; N597-R601 WeakPolarHBondContact O-CB 3.34Å; N597-R601 WeakPolarHBondContact O-CG 3.22Å; N597-R601 PolarHBondContact O-N 3.32Å; N597-R601 VanDerWaalsContact O-N 3.16Å |
| 598 | K | 66 | Low | 62.9 | Low | 164 Ų | 164 | 121.7 Ų | 121.7 | 71% | 0.713 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71.7 | -43.1 | 174.7 | -165.3 | 178.3 | 179.1 | -173.7 | 0 | 111.1 | K594 L595 R601 A602 | K594-K598 WeakPolarHBondContact O-CB 3.28Å; K594-K598 PolarHBondContact O-N 3.27Å; L595-K598 PolarHBondContact O-N 3.48Å; L595-K598 VanDerWaalsContact O-N 3.12Å; K598-R601 PolarHBondContact O-N 2.99Å; K598-A602 WeakPolarHBondContact O-CB 3.36Å; K598-A602 PolarHBondContact O-N 3.38Å |
| 599 | Q | 58.5 | Low | 63.3 | Low | 70 Ų | 70 | 123.8 Ų | 123.8 | 33% | 0.327 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -64.6 | -44.6 | 173.5 | -81.1 | 178 | -25.3 | 0 | 0 | 112 | H580 L595 R601 A602 Q603 | H580-Q599 PolarHBondContact CE1-NE2 3.05Å; H580-Q599 VanDerWaalsContact CE1-NE2 3.27Å; L595-Q599 WeakPolarHBondContact O-CB 3.43Å; L595-Q599 PolarHBondContact O-N 2.69Å; Q599-R601 VanDerWaalsContact C-N 3.27Å; Q599-R601 PolarHBondContact O-N 2.94Å; Q599-A602 PolarHBondContact O-N 3.11Å; Q599-A602 VanDerWaalsContact O-N 3.17Å; Q599-Q603 WeakPolarHBondContact O-CB 3.36Å; Q599-Q603 PolarHBondContact O-N 2.91Å |
| 600 | R | 64.6 | Low | 64 | Low | 183 Ų | 183 | 122.7 Ų | 122.7 | 69% | 0.691 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -60.2 | -36.2 | 173.9 | -93.7 | -178.5 | 158.5 | -177.4 | -4.4 | 112.9 | R596 K604 | R596-R600 VanDerWaalsContact O-CB 3.27Å; R596-R600 WeakPolarHBondContact O-CB 3.24Å; R596-R600 PolarHBondContact O-N 3.44Å; R600-K604 VanDerWaalsContact O-CB 3.32Å; R600-K604 WeakPolarHBondContact O-CB 3.32Å; R600-K604 PolarHBondContact O-N 3.01Å |
| 601 | R | 68.5 | Low | 64.5 | Low | 204 Ų | 204 | 120.2 Ų | 120.2 | 77% | 0.77 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.2 | -40.3 | 175.1 | -78.1 | 179.1 | 176.7 | -174 | -0.9 | 111.6 | N597 K598 Q599 K605 | N597-R601 WeakPolarHBondContact O-CB 3.34Å; N597-R601 WeakPolarHBondContact O-CG 3.22Å; N597-R601 PolarHBondContact O-N 3.32Å; N597-R601 VanDerWaalsContact O-N 3.16Å; K598-R601 PolarHBondContact O-N 2.99Å; Q599-R601 VanDerWaalsContact C-N 3.27Å; Q599-R601 PolarHBondContact O-N 2.94Å; R601-K605 WeakPolarHBondContact O-CB 3.18Å; R601-K605 PolarHBondContact O-N 3.06Å |
| 602 | A | 65.6 | Low | 65.3 | Low | 57 Ų | 57 | 121.9 Ų | 121.9 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.2 | -46.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | K598 Q599 K605 A606 | K598-A602 WeakPolarHBondContact O-CB 3.36Å; K598-A602 PolarHBondContact O-N 3.38Å; Q599-A602 PolarHBondContact O-N 3.11Å; Q599-A602 VanDerWaalsContact O-N 3.17Å; A602-K605 PolarHBondContact O-N 2.83Å; A602-K605 VanDerWaalsContact O-N 3.15Å; A602-A606 WeakPolarHBondContact O-CB 3.34Å; A602-A606 PolarHBondContact O-N 3.12Å |
| 603 | Q | 66.5 | Low | 66.1 | Low | 126 Ų | 126 | 126 Ų | 126 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -63.2 | -42.6 | 174.3 | -84.7 | -179.7 | -20 | 0 | 0 | 112.2 | Q599 K605 A606 Q607 | Q599-Q603 WeakPolarHBondContact O-CB 3.36Å; Q599-Q603 PolarHBondContact O-N 2.91Å; Q603-K605 VanDerWaalsContact C-N 3.28Å; Q603-K605 PolarHBondContact O-N 3.39Å; Q603-A606 PolarHBondContact O-N 2.83Å; Q603-Q607 VanDerWaalsContact O-CB 3.28Å; Q603-Q607 WeakPolarHBondContact O-CB 3.33Å; Q603-Q607 WeakPolarHBondContact O-CG 3.39Å; Q603-Q607 PolarHBondContact O-N 3.03Å |
| 604 | K | 70.9 | Confident | 66.5 | Low | 148 Ų | 148 | 122.7 Ų | 122.7 | 64% | 0.643 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.5 | -38.1 | 172.2 | -99.3 | -173.3 | 170.5 | -175.8 | 0 | 112 | R600 I608 | R600-K604 VanDerWaalsContact O-CB 3.32Å; R600-K604 WeakPolarHBondContact O-CB 3.32Å; R600-K604 PolarHBondContact O-N 3.01Å; K604-I608 VanDerWaalsContact O-CB 3.29Å; K604-I608 WeakPolarHBondContact O-CB 3.37Å; K604-I608 VanDerWaalsContact O-CD1 3.27Å; K604-I608 WeakPolarHBondContact O-CD1 3.46Å; K604-I608 WeakPolarHBondContact O-CG1 3.44Å; K604-I608 PolarHBondContact O-N 3.15Å |
| 605 | K | 71.8 | Confident | 66.6 | Low | 158 Ų | 158 | 116.9 Ų | 116.9 | 69% | 0.687 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -71.1 | -41.4 | -179.9 | -146.8 | 179 | -175.7 | -168.7 | 0 | 111.2 | R601 A602 Q603 I608 E609 | R601-K605 WeakPolarHBondContact O-CB 3.18Å; R601-K605 PolarHBondContact O-N 3.06Å; A602-K605 PolarHBondContact O-N 2.83Å; A602-K605 VanDerWaalsContact O-N 3.15Å; Q603-K605 VanDerWaalsContact C-N 3.28Å; Q603-K605 PolarHBondContact O-N 3.39Å; K605-I608 PolarHBondContact O-N 2.78Å; K605-E609 WeakPolarHBondContact O-CB 3.4Å; K605-E609 PolarHBondContact O-N 3.31Å |
| 606 | A | 68.6 | Low | 67.1 | Low | 53 Ų | 53 | 119.4 Ų | 119.4 | 44% | 0.438 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.5 | -46.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A602 Q603 I608 E609 E610 | A602-A606 WeakPolarHBondContact O-CB 3.34Å; A602-A606 PolarHBondContact O-N 3.12Å; Q603-A606 PolarHBondContact O-N 2.83Å; A606-I608 PolarHBondContact O-N 3.39Å; A606-E609 PolarHBondContact O-N 3.03Å; A606-E610 WeakPolarHBondContact O-CB 3.19Å; A606-E610 PolarHBondContact O-N 2.87Å |
| 607 | Q | 69.9 | Low | 67.6 | Low | 116 Ų | 116 | 117.5 Ų | 117.5 | 54% | 0.542 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -42.6 | 174 | -83.5 | -178.6 | -20.6 | 0 | 0 | 112.1 | Q603 E609 E610 E611 | Q603-Q607 VanDerWaalsContact O-CB 3.28Å; Q603-Q607 WeakPolarHBondContact O-CB 3.33Å; Q603-Q607 WeakPolarHBondContact O-CG 3.39Å; Q603-Q607 PolarHBondContact O-N 3.03Å; Q607-E609 VanDerWaalsContact C-N 3.32Å; Q607-E609 PolarHBondContact O-N 2.59Å; Q607-E610 PolarHBondContact O-N 3.09Å; Q607-E611 WeakPolarHBondContact O-CB 3.48Å; Q607-E611 VanDerWaalsContact O-CG 3.27Å; Q607-E611 WeakPolarHBondContact O-CG 3.32Å; Q607-E611 PolarHBondContact O-N 3.12Å |
| 608 | I | 71.1 | Confident | 67.4 | Low | 86 Ų | 86 | 118.5 Ų | 118.5 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.9 | -35.3 | 176.8 | -70.1 | 165 | 0 | 0 | 0 | 111.2 | K604 K605 A606 K612 | K604-I608 VanDerWaalsContact O-CB 3.29Å; K604-I608 WeakPolarHBondContact O-CB 3.37Å; K604-I608 VanDerWaalsContact O-CD1 3.27Å; K604-I608 WeakPolarHBondContact O-CD1 3.46Å; K604-I608 WeakPolarHBondContact O-CG1 3.44Å; K604-I608 PolarHBondContact O-N 3.15Å; K605-I608 PolarHBondContact O-N 2.78Å; A606-I608 PolarHBondContact O-N 3.39Å; I608-K612 HydrophobicContact CG2-CD 4.35Å; I608-K612 VanDerWaalsContact O-CB 3.25Å; I608-K612 WeakPolarHBondContact O-CB 3.17Å; I608-K612 WeakPolarHBondContact O-CG 3.43Å; I608-K612 PolarHBondContact O-N 3.05Å |
| 609 | E | 67.8 | Low | 67.2 | Low | 106 Ų | 106 | 118 Ų | 118 | 50% | 0.495 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -73.8 | -36 | 177.5 | -160.8 | -176.3 | 148.7 | 0 | 0 | 112 | K605 A606 Q607 K612 K613 | K605-E609 WeakPolarHBondContact O-CB 3.4Å; K605-E609 PolarHBondContact O-N 3.31Å; A606-E609 PolarHBondContact O-N 3.03Å; Q607-E609 VanDerWaalsContact C-N 3.32Å; Q607-E609 PolarHBondContact O-N 2.59Å; E609-K612 PolarHBondContact O-N 3.37Å; E609-K613 WeakPolarHBondContact O-CB 3.36Å; E609-K613 WeakPolarHBondContact O-CG 3.28Å; E609-K613 PolarHBondContact O-N 3.15Å; E609-K613 IonicContact OE1-NZ 3.4Å; E609-K613 PolarHBondContact OE1-NZ 3.47Å |
| 610 | E | 67.6 | Low | 67.3 | Low | 125 Ų | 125 | 120.5 Ų | 120.5 | 58% | 0.584 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.4 | -39.3 | 177.1 | -163.5 | 168.5 | -148.1 | 0 | 0 | 111.7 | A606 Q607 K612 K613 N614 | A606-E610 WeakPolarHBondContact O-CB 3.19Å; A606-E610 PolarHBondContact O-N 2.87Å; Q607-E610 PolarHBondContact O-N 3.09Å; E610-K612 VanDerWaalsContact C-N 3.34Å; E610-K613 PolarHBondContact O-N 3.11Å; E610-N614 VanDerWaalsContact O-CB 3.27Å; E610-N614 WeakPolarHBondContact O-CB 3.45Å; E610-N614 PolarHBondContact O-N 3.28Å |
| 611 | E | 68.1 | Low | 67 | Low | 136 Ų | 136 | 117.2 Ų | 117.2 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.2 | -37.6 | 168.9 | -78.5 | 179.7 | 166.9 | 0 | 0 | 111.4 | Q607 A615 | Q607-E611 WeakPolarHBondContact O-CB 3.48Å; Q607-E611 VanDerWaalsContact O-CG 3.27Å; Q607-E611 WeakPolarHBondContact O-CG 3.32Å; Q607-E611 PolarHBondContact O-N 3.12Å; E611-A615 WeakPolarHBondContact O-CB 3.11Å; E611-A615 PolarHBondContact O-N 3.46Å |
| 612 | K | 71 | Confident | 66.2 | Low | 138 Ų | 138 | 116.3 Ų | 116.3 | 60% | 0.6 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -66.3 | -44.7 | 172.6 | -82.9 | 178.8 | 178.3 | -173.4 | 0 | 111.8 | I608 E609 E610 A615 E616 | I608-K612 HydrophobicContact CG2-CD 4.35Å; I608-K612 VanDerWaalsContact O-CB 3.25Å; I608-K612 WeakPolarHBondContact O-CB 3.17Å; I608-K612 WeakPolarHBondContact O-CG 3.43Å; I608-K612 PolarHBondContact O-N 3.05Å; E609-K612 PolarHBondContact O-N 3.37Å; E610-K612 VanDerWaalsContact C-N 3.34Å; K612-A615 PolarHBondContact O-N 3.15Å; K612-E616 WeakPolarHBondContact O-CB 3.23Å; K612-E616 WeakPolarHBondContact O-CG 2.87Å; K612-E616 PolarHBondContact O-N 2.77Å |
| 613 | K | 70.4 | Confident | 65.3 | Low | 114 Ų | 114 | 118.9 Ų | 118.9 | 50% | 0.496 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64 | -39.3 | 175.8 | -79.7 | 173.8 | -177 | 159.5 | 0 | 111.8 | E609 E610 K617 | E609-K613 WeakPolarHBondContact O-CB 3.36Å; E609-K613 WeakPolarHBondContact O-CG 3.28Å; E609-K613 PolarHBondContact O-N 3.15Å; E609-K613 IonicContact OE1-NZ 3.4Å; E609-K613 PolarHBondContact OE1-NZ 3.47Å; E610-K613 PolarHBondContact O-N 3.11Å; K613-K617 WeakPolarHBondContact O-CB 3.45Å; K613-K617 VanDerWaalsContact O-CG 3.31Å; K613-K617 WeakPolarHBondContact O-CG 3.47Å; K613-K617 PolarHBondContact O-N 2.89Å |
| 614 | N | 66.9 | Low | 64.6 | Low | 88 Ų | 88 | 118.6 Ų | 118.6 | 47% | 0.471 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.8 | -38.6 | 176 | -77.9 | -14.2 | 0 | 0 | 0 | 112 | E610 K617 E618 | E610-N614 VanDerWaalsContact O-CB 3.27Å; E610-N614 WeakPolarHBondContact O-CB 3.45Å; E610-N614 PolarHBondContact O-N 3.28Å; N614-K617 PolarHBondContact O-N 3.12Å; N614-E618 WeakPolarHBondContact O-CB 3.28Å; N614-E618 WeakPolarHBondContact O-CG 3.47Å; N614-E618 PolarHBondContact O-N 3.16Å |
| 615 | A | 65.7 | Low | 63.5 | Low | 50 Ų | 50 | 118.8 Ų | 118.8 | 41% | 0.413 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.9 | -33.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E611 K612 K619 | E611-A615 WeakPolarHBondContact O-CB 3.11Å; E611-A615 PolarHBondContact O-N 3.46Å; K612-A615 PolarHBondContact O-N 3.15Å; A615-K619 WeakPolarHBondContact O-CB 3.28Å; A615-K619 PolarHBondContact O-N 3.25Å |
| 616 | E | 66.8 | Low | 62.1 | Low | 122 Ų | 122 | 119.1 Ų | 119.1 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -70.2 | -42.4 | 171.5 | -81 | -180 | 163.8 | 0 | 0 | 111.6 | K612 K619 Q620 | K612-E616 WeakPolarHBondContact O-CB 3.23Å; K612-E616 WeakPolarHBondContact O-CG 2.87Å; K612-E616 PolarHBondContact O-N 2.77Å; E616-K619 PolarHBondContact O-N 3.39Å; E616-Q620 WeakPolarHBondContact O-CB 3.46Å; E616-Q620 WeakPolarHBondContact O-CG 3.42Å; E616-Q620 PolarHBondContact O-N 3.16Å |
| 617 | K | 67.4 | Low | 60.7 | Low | 125 Ų | 125 | 125.1 Ų | 125.1 | 54% | 0.543 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -61.8 | -42.6 | 171.7 | -79.8 | 179.5 | 177.4 | -178.1 | 0 | 112 | K613 N614 Q620 Q621 | K613-K617 WeakPolarHBondContact O-CB 3.45Å; K613-K617 VanDerWaalsContact O-CG 3.31Å; K613-K617 WeakPolarHBondContact O-CG 3.47Å; K613-K617 PolarHBondContact O-N 2.89Å; N614-K617 PolarHBondContact O-N 3.12Å; K617-Q620 PolarHBondContact O-N 3.42Å; K617-Q621 VanDerWaalsContact O-CB 3.29Å; K617-Q621 WeakPolarHBondContact O-CB 3.49Å; K617-Q621 VanDerWaalsContact O-CG 3.24Å; K617-Q621 WeakPolarHBondContact O-CG 3.42Å; K617-Q621 PolarHBondContact O-N 2.86Å |
| 618 | E | 61 | Low | 59.1 | Low | 120 Ų | 120 | 125.5 Ų | 125.5 | 56% | 0.561 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.2 | -37.7 | 175.4 | -83 | -167.5 | 151.6 | 0 | 0 | 112.3 | N614 R622 | N614-E618 WeakPolarHBondContact O-CB 3.28Å; N614-E618 WeakPolarHBondContact O-CG 3.47Å; N614-E618 PolarHBondContact O-N 3.16Å; E618-R622 VanDerWaalsContact O-CB 3.3Å; E618-R622 WeakPolarHBondContact O-CB 3.44Å; E618-R622 WeakPolarHBondContact O-CG 3.38Å; E618-R622 PolarHBondContact O-N 2.98Å |
| 619 | K | 62.6 | Low | 57.4 | Low | 152 Ų | 152 | 128 Ų | 128 | 66% | 0.661 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.2 | -41.6 | 172.8 | -91.3 | -178.8 | 173.8 | 177.4 | 0 | 111.8 | A615 E616 R622 N623 | A615-K619 WeakPolarHBondContact O-CB 3.28Å; A615-K619 PolarHBondContact O-N 3.25Å; E616-K619 PolarHBondContact O-N 3.39Å; K619-R622 PolarHBondContact O-N 3.45Å; K619-N623 WeakPolarHBondContact O-CB 3.41Å; K619-N623 PolarHBondContact O-N 3.08Å |
| 620 | Q | 59.4 | Low | 55.9 | Low | 123 Ų | 123 | 129.6 Ų | 129.6 | 58% | 0.575 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -66.8 | -41.1 | 175.7 | -75.3 | 177.3 | -0.7 | 0 | 0 | 111.4 | E616 K617 N623 Q624 | E616-Q620 WeakPolarHBondContact O-CB 3.46Å; E616-Q620 WeakPolarHBondContact O-CG 3.42Å; E616-Q620 PolarHBondContact O-N 3.16Å; K617-Q620 PolarHBondContact O-N 3.42Å; Q620-N623 PolarHBondContact O-N 3.09Å; Q620-Q624 WeakPolarHBondContact O-CB 3.34Å; Q620-Q624 WeakPolarHBondContact O-CG 3.34Å; Q620-Q624 PolarHBondContact O-N 2.95Å |
| 621 | Q | 58.3 | Low | 54.3 | Low | 114 Ų | 114 | 130.6 Ų | 130.6 | 53% | 0.533 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.4 | -36.6 | 174.5 | -75.7 | 178.5 | 3.6 | 0 | 0 | 112.7 | K617 Q624 K625 | K617-Q621 VanDerWaalsContact O-CB 3.29Å; K617-Q621 WeakPolarHBondContact O-CB 3.49Å; K617-Q621 VanDerWaalsContact O-CG 3.24Å; K617-Q621 WeakPolarHBondContact O-CG 3.42Å; K617-Q621 PolarHBondContact O-N 2.86Å; Q621-Q624 PolarHBondContact O-N 2.95Å; Q621-K625 WeakPolarHBondContact O-CB 3.47Å; Q621-K625 PolarHBondContact O-N 3.27Å |
| 622 | R | 52.7 | Low | 52.7 | Low | 185 Ų | 185 | 129 Ų | 129 | 70% | 0.698 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.5 | -36.7 | 172.9 | -83.4 | 179.7 | 172 | -177.6 | 0.5 | 112.3 | E618 K619 K626 | E618-R622 VanDerWaalsContact O-CB 3.3Å; E618-R622 WeakPolarHBondContact O-CB 3.44Å; E618-R622 WeakPolarHBondContact O-CG 3.38Å; E618-R622 PolarHBondContact O-N 2.98Å; K619-R622 PolarHBondContact O-N 3.45Å; R622-K626 PolarHBondContact O-N 3.24Å; R622-K626 VanDerWaalsContact O-N 3.11Å |
| 623 | N | 47.1 | Very low | 50.9 | Low | 111 Ų | 111 | 131 Ų | 131 | 59% | 0.594 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.3 | -31.3 | 175.5 | -78.5 | -7.1 | 0 | 0 | 0 | 112.4 | K619 Q620 K627 | K619-N623 WeakPolarHBondContact O-CB 3.41Å; K619-N623 PolarHBondContact O-N 3.08Å; Q620-N623 PolarHBondContact O-N 3.09Å; N623-K627 PolarHBondContact O-N 2.94Å |
| 624 | Q | 50.6 | Low | 49.1 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 56% | 0.561 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -73.6 | -39.4 | 171.1 | -77.9 | 177.8 | -3.1 | 0 | 0 | 112.2 | Q620 Q621 K626 K627 K628 | Q620-Q624 WeakPolarHBondContact O-CB 3.34Å; Q620-Q624 WeakPolarHBondContact O-CG 3.34Å; Q620-Q624 PolarHBondContact O-N 2.95Å; Q621-Q624 PolarHBondContact O-N 2.95Å; Q624-K626 PolarHBondContact O-N 3.14Å; Q624-K627 PolarHBondContact O-N 3.44Å; Q624-K627 VanDerWaalsContact O-N 3.12Å; Q624-K628 PolarHBondContact O-N 2.95Å |
| 625 | K | 48.2 | Very low | 47.6 | Very low | 153 Ų | 153 | 135.8 Ų | 135.8 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -59.5 | -43.5 | 172.4 | -94.5 | 179.2 | 172 | 172.2 | 0 | 112.3 | Q621 K627 K628 D629 | Q621-K625 WeakPolarHBondContact O-CB 3.47Å; Q621-K625 PolarHBondContact O-N 3.27Å; K625-K627 PolarHBondContact O-N 3Å; K625-K628 PolarHBondContact O-N 3.49Å; K625-D629 PolarHBondContact O-N 3.07Å; K625-D629 VanDerWaalsContact O-N 3.15Å |
| 626 | K | 43 | Very low | 46.1 | Very low | 165 Ų | 165 | 136 Ų | 136 | 72% | 0.717 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.2 | -19 | 175.2 | -85.7 | -175.1 | 173.9 | -177 | 0 | 114.8 | R622 Q624 | R622-K626 PolarHBondContact O-N 3.24Å; R622-K626 VanDerWaalsContact O-N 3.11Å; Q624-K626 PolarHBondContact O-N 3.14Å |
| 627 | K | 38.1 | Very low | 44.6 | Very low | 179 Ų | 179 | 131.9 Ų | 131.9 | 78% | 0.778 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -98 | -22.2 | 174.6 | -94.4 | -175.7 | 171.8 | -175.3 | 0 | 113.5 | N623 Q624 K625 | N623-K627 PolarHBondContact O-N 2.94Å; Q624-K627 PolarHBondContact O-N 3.44Å; Q624-K627 VanDerWaalsContact O-N 3.12Å; K625-K627 PolarHBondContact O-N 3Å |
| 628 | K | 37.4 | Very low | 43.3 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 54% | 0.539 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -83.4 | -22.5 | 175.9 | -105.9 | -173.8 | 173.2 | -173.5 | 0 | 113.8 | Q624 K625 D630 | Q624-K628 PolarHBondContact O-N 2.95Å; K625-K628 PolarHBondContact O-N 3.49Å; K628-D630 PolarHBondContact O-N 3.43Å |
| 629 | D | 35.4 | Very low | 43.1 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -11.9 | 178.3 | -78.4 | -17.6 | 0 | 0 | 0 | 113.8 | K625 | K625-D629 PolarHBondContact O-N 3.07Å; K625-D629 VanDerWaalsContact O-N 3.15Å |
| 630 | D | 36 | Very low | 43.5 | Very low | 140 Ų | 140 | 134.5 Ų | 134.5 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -14.5 | -179.7 | -86.3 | -25.7 | 0 | 0 | 0 | 115.1 | K628 | K628-D630 PolarHBondContact O-N 3.43Š|
| 631 | D | 34.3 | Very low | 44.7 | Very low | 146 Ų | 146 | 136 Ų | 136 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141.5 | 1 | -171.5 | -91.1 | -30 | 0 | 0 | 0 | 119.1 | ||
| 632 | D | 33.4 | Very low | 46.3 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 56% | 0.556 | 66% | 0.655 | S | S | * | * | trans | -134.9 | 91.5 | 173.8 | -79.6 | -40.5 | 0 | 0 | 0 | 112.2 | E634 | D632-E634 PolarHBondContact O-N 3.44Š| ||
| 633 | E | 33.9 | Very low | 48.3 | Very low | 180 Ų | 180 | 125.9 Ų | 125.9 | 84% | 0.841 | 64% | 0.637 | S | S | * | * | trans | -74.8 | 64.4 | 160.8 | -75.4 | -169.6 | 166.2 | 0 | 0 | 109.9 | I635 | E633-I635 PolarHBondContact O-N 3.39Š| ||
| 634 | E | 34 | Very low | 50.6 | Low | 166 Ų | 166 | 121.9 Ų | 121.9 | 78% | 0.776 | 62% | 0.617 | S | S | * | * | trans | -80 | 110.7 | 169.2 | -142.8 | 179.6 | -156.5 | 0 | 0 | 108.6 | D632 G636 | D632-E634 PolarHBondContact O-N 3.44Å; E634-G636 PolarHBondContact O-N 2.89Å | ||
| 635 | I | 33.5 | Very low | 52.7 | Low | 135 Ų | 135 | 121.9 Ų | 121.9 | 69% | 0.692 | 62% | 0.617 | S | S | * | * | trans | -73.8 | 74.2 | 177.7 | -56.9 | 171.7 | 0 | 0 | 0 | 108.3 | E633 | E633-I635 PolarHBondContact O-N 3.39Š| ||
| 636 | G | 34.5 | Very low | 54.8 | Low | 54 Ų | 54 | 121.9 Ų | 121.9 | 56% | 0.557 | 62% | 0.617 | S | S | * | * | trans | -134.9 | 124 | 171.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | E634 | E634-G636 PolarHBondContact O-N 2.89Š| ||
| 637 | G | 35.9 | Very low | 57.3 | Low | 37 Ų | 37 | 115.3 Ų | 115.3 | 38% | 0.381 | 59% | 0.59 | S | S | . | * | trans | -59.1 | 169 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | K639 | G637-K639 PolarHBondContact O-N 3.39Š| ||
| 638 | P | 40.8 | Very low | 60 | Low | 125 Ų | 125 | 107.4 Ų | 107.4 | 81% | 0.812 | 56% | 0.557 | S | S | * | * | trans | -58.8 | 107.8 | 175 | 23 | -30.3 | 0 | 0 | 0 | 109.7 | E640 | P638-E640 PolarHBondContact O-N 2.98Š| ||
| 639 | K | 56.4 | Low | 62.7 | Low | 162 Ų | 162 | 106.4 Ų | 106.4 | 70% | 0.704 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 125.5 | 173.3 | -69.9 | 178.2 | 179.6 | 174.2 | 0 | 107.4 | G637 E641 | G637-K639 PolarHBondContact O-N 3.39Å; K639-E641 PolarHBondContact O-N 3.39Å |
| 640 | E | 70.5 | Confident | 65.5 | Low | 164 Ų | 164 | 101.7 Ų | 101.7 | 77% | 0.766 | 53% | 0.529 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 123.4 | 172.7 | -167.9 | 175.4 | -171.3 | 0 | 0 | 108.4 | R513 P638 L642 | R513-E640 PolarHBondContact NH1-O 3.1Å; R513-E640 PolarHBondContact NH2-O 3.31Å; P638-E640 PolarHBondContact O-N 2.98Å; E640-L642 PolarHBondContact O-N 3.41Å |
| 641 | E | 85.3 | Confident | 68.2 | Low | 155 Ų | 155 | 104.1 Ų | 104.1 | 72% | 0.724 | 54% | 0.536 | S | S | * | . | P | Polyproline II helix | trans | -72.3 | 128.4 | -174.1 | -171.1 | 175.7 | 177.3 | 0 | 0 | 110.3 | K639 I643 | K639-E641 PolarHBondContact O-N 3.39Å; E641-I643 HydrophobicContact CG-CG1 4.47Å; E641-I643 PolarHBondContact O-N 3.42Å |
| 642 | L | 91.9 | Very high | 71.1 | Confident | 25 Ų | 25 | 100.6 Ų | 100.6 | 13% | 0.131 | 52% | 0.52 | C | S | . | . | trans | -80.6 | 108.5 | 176.8 | -66.6 | 172.1 | 0 | 0 | 0 | 109.6 | K506 H509 E510 R513 E640 L647 | K506-L642 HydrophobicContact CG-CB 4.02Å; K506-L642 HydrophobicContact CG-CD1 4.48Å; H509-L642 HydrophobicContact CB-CD1 3.74Å; H509-L642 HydrophobicContact CB-CD2 3.92Å; H509-L642 HydrophobicContact CB-CG 4.49Å; E510-L642 HydrophobicContact CG-CD1 3.89Å; R513-L642 VanDerWaalsContact CZ-CG 3.4Å; R513-L642 VanDerWaalsContact NH2-CD2 3.31Å; E640-L642 PolarHBondContact O-N 3.41Å; L642-L647 HydrophobicContact CB-CD1 4.42Å; L642-L647 HydrophobicContact CD2-CD1 4.48Å | ||
| 643 | I | 94.8 | Very high | 74 | Confident | 61 Ų | 61 | 96.2 Ų | 96.2 | 31% | 0.313 | 50% | 0.497 | S | S | . | . | trans | -101.8 | 115.6 | -179.6 | -59.8 | 172.2 | 0 | 0 | 0 | 109.4 | E641 E645 K646 L647 | E641-I643 HydrophobicContact CG-CG1 4.47Å; E641-I643 PolarHBondContact O-N 3.42Å; I643-E645 VanDerWaalsContact C-N 3.3Å; I643-E645 HydrophobicContact CG2-CB 4.45Å; I643-E645 PolarHBondContact O-N 2.87Å; I643-K646 HydrophobicContact CB-CB 4.29Å; I643-K646 HydrophobicContact CB-CD 4.21Å; I643-K646 HydrophobicContact CB-CG 4.13Å; I643-K646 HydrophobicContact CD1-CD 3.99Å; I643-K646 HydrophobicContact CG2-CG 4.09Å; I643-K646 PolarHBondContact O-N 3.02Å; I643-K646 VanDerWaalsContact O-N 3.16Å; I643-L647 WeakPolarHBondContact O-CG 3.37Å; I643-L647 PolarHBondContact O-N 3.08Å; I643-L647 VanDerWaalsContact O-N 3.16Å | ||
| 644 | P | 95 | Very high | 77 | Confident | 28 Ų | 28 | 88.3 Ų | 88.3 | 18% | 0.182 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -50.3 | -44.2 | -178.2 | -32.5 | 38.2 | 0 | 0 | 0 | 114.5 | G502 E503 K506 L647 A648 | G502-P644 WeakPolarHBondContact CA-O 3.25Å; E503-P644 HydrophobicContact CG-CB 4.39Å; E503-P644 HydrophobicContact CG-CG 4.41Å; E503-P644 WeakPolarHBondContact OE2-CG 3.37Å; K506-P644 HydrophobicContact CB-CG 4.38Å; K506-P644 HydrophobicContact CD-CG 3.91Å; P644-L647 PolarHBondContact O-N 3.37Å; P644-A648 PolarHBondContact O-N 3.47Å |
| 645 | E | 93.6 | Very high | 80 | Confident | 120 Ų | 120 | 84.3 Ų | 84.3 | 56% | 0.561 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.7 | -43 | -178 | -171.2 | -178.4 | 178 | 0 | 0 | 112.3 | I643 L647 A648 K649 | I643-E645 VanDerWaalsContact C-N 3.3Å; I643-E645 HydrophobicContact CG2-CB 4.45Å; I643-E645 PolarHBondContact O-N 2.87Å; E645-L647 VanDerWaalsContact C-N 3.32Å; E645-L647 PolarHBondContact O-N 2.9Å; E645-A648 PolarHBondContact O-N 3.36Å; E645-K649 HydrophobicContact CG-CD 4.07Å; E645-K649 PolarHBondContact O-N 3.07Å; E645-K649 IonicContact OE1-NZ 3.7Å; E645-K649 PolarHBondContact OE1-NZ 2.92Å |
| 646 | K | 94.1 | Very high | 83 | Confident | 153 Ų | 153 | 79.3 Ų | 79.3 | 67% | 0.665 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.4 | -37.1 | 178 | -66.5 | -171.8 | -179.1 | 178.8 | 0 | 111.9 | I643 V650 | I643-K646 HydrophobicContact CB-CB 4.29Å; I643-K646 HydrophobicContact CB-CD 4.21Å; I643-K646 HydrophobicContact CB-CG 4.13Å; I643-K646 HydrophobicContact CD1-CD 3.99Å; I643-K646 HydrophobicContact CG2-CG 4.09Å; I643-K646 PolarHBondContact O-N 3.02Å; I643-K646 VanDerWaalsContact O-N 3.16Å; K646-V650 PolarHBondContact O-N 3.09Å |
| 647 | L | 94.3 | Very high | 86.1 | Confident | 27 Ų | 27 | 76.8 Ų | 76.8 | 14% | 0.141 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -68.1 | -37.6 | 178.1 | -67.1 | 170 | 0 | 0 | 0 | 111.9 | L505 K506 L642 I643 P644 E645 | L505-L647 HydrophobicContact CB-CB 4.15Å; L505-L647 HydrophobicContact CB-CD1 4.4Å; L505-L647 HydrophobicContact CD1-CB 4.28Å; K506-L647 HydrophobicContact CB-CD1 4.09Å; L642-L647 HydrophobicContact CB-CD1 4.42Å; L642-L647 HydrophobicContact CD2-CD1 4.48Å; I643-L647 WeakPolarHBondContact O-CG 3.37Å; I643-L647 PolarHBondContact O-N 3.08Å; I643-L647 VanDerWaalsContact O-N 3.16Å; P644-L647 PolarHBondContact O-N 3.37Å; E645-L647 VanDerWaalsContact C-N 3.32Å; E645-L647 PolarHBondContact O-N 2.9Å |
| 648 | A | 94.4 | Very high | 89 | Confident | 12 Ų | 12 | 76.5 Ų | 76.5 | 10% | 0.099 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -76.3 | -31.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | L573 P644 E645 | L573-A648 HydrophobicContact CD1-CB 3.95Å; P644-A648 PolarHBondContact O-N 3.47Å; E645-A648 PolarHBondContact O-N 3.36Å |
| 649 | K | 94.1 | Very high | 91.7 | Very high | 104 Ų | 104 | 76.5 Ų | 76.5 | 45% | 0.452 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 27.4 | 179.3 | -62.7 | -178.9 | 178.8 | 175.4 | 0 | 113.2 | E645 | E645-K649 HydrophobicContact CG-CD 4.07Å; E645-K649 PolarHBondContact O-N 3.07Å; E645-K649 IonicContact OE1-NZ 3.7Å; E645-K649 PolarHBondContact OE1-NZ 2.92Å |
| 650 | V | 93.9 | Very high | 93.7 | Very high | 38 Ų | 38 | 69.1 Ų | 69.1 | 23% | 0.23 | 33% | 0.334 | C | S | . | . | trans | -67.6 | 132.8 | 178.2 | 67 | 0 | 0 | 0 | 0 | 110.5 | Y565 K646 T652 P653 E656 | Y565-V650 HydrophobicContact CD1-CG1 4.32Å; Y565-V650 HydrophobicContact CE1-CG1 3.89Å; K646-V650 PolarHBondContact O-N 3.09Å; V650-T652 VanDerWaalsContact C-N 3.26Å; V650-T652 PolarHBondContact O-N 3.27Å; V650-P653 HydrophobicContact CG1-CB 4.36Å; V650-P653 HydrophobicContact CG1-CG 4.12Å; V650-P653 WeakPolarHBondContact O-CD 3.49Å; V650-P653 WeakPolarHBondContact O-CG 3.33Å; V650-E656 HydrophobicContact CG1-CG 4.44Å; V650-E656 HydrophobicContact CG2-CG 4.11Å | ||
| 651 | E | 93.1 | Very high | 95 | Very high | 191 Ų | 191 | 61.4 Ų | 61.4 | 89% | 0.893 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -69.6 | -24.2 | -178.7 | -64.3 | 179.8 | -177.8 | 0 | 0 | 113 | P653 | E651-P653 VanDerWaalsContact O-CD 3.3Å; E651-P653 WeakPolarHBondContact O-CD 3.48Å |
| 652 | T | 94.7 | Very high | 95.6 | Very high | 71 Ų | 71 | 56.7 Ų | 56.7 | 44% | 0.436 | 28% | 0.28 | S | S | . | . | trans | -119.2 | 63 | -177.8 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | V650 L654 E655 E656 | V650-T652 VanDerWaalsContact C-N 3.26Å; V650-T652 PolarHBondContact O-N 3.27Å; T652-L654 VanDerWaalsContact C-N 3.28Å; T652-L654 PolarHBondContact O-N 3.17Å; T652-E655 HydrophobicContact CG2-CG 4.5Å; T652-E655 PolarHBondContact O-N 3Å; T652-E655 VanDerWaalsContact O-N 3.11Å; T652-E656 PolarHBondContact O-N 3.28Å | ||
| 653 | P | 95.9 | Very high | 95.9 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 8% | 0.084 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -56.4 | -39.3 | -177.6 | -24.2 | 33.3 | 0 | 0 | 0 | 113.4 | Y565 L568 H569 V650 E651 E655 E656 A657 | Y565-P653 WeakPolarHBondContact CB-O 3.17Å; Y565-P653 HydrophobicContact CD1-CB 3.98Å; Y565-P653 WeakPolarHBondContact O-CB 3.44Å; L568-P653 HydrophobicContact CB-CB 4.49Å; L568-P653 HydrophobicContact CB-CG 4.45Å; H569-P653 HydrophobicContact CB-CB 4.34Å; V650-P653 HydrophobicContact CG1-CB 4.36Å; V650-P653 HydrophobicContact CG1-CG 4.12Å; V650-P653 WeakPolarHBondContact O-CD 3.49Å; V650-P653 WeakPolarHBondContact O-CG 3.33Å; E651-P653 VanDerWaalsContact O-CD 3.3Å; E651-P653 WeakPolarHBondContact O-CD 3.48Å; P653-E655 VanDerWaalsContact C-N 3.32Å; P653-E655 PolarHBondContact O-N 3.02Å; P653-E656 PolarHBondContact O-N 2.91Å; P653-A657 PolarHBondContact O-N 3.17Å |
| 654 | L | 96.7 | Very high | 96.1 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67.5 | -30.9 | -179.1 | -63.3 | -178.1 | 0 | 0 | 0 | 112.8 | L566 H569 T652 A657 I658 R684 K685 | L566-L654 HydrophobicContact CD2-CD2 4.09Å; H569-L654 HydrophobicContact CB-CD2 4.11Å; H569-L654 HydrophobicContact CB-CG 4.28Å; H569-L654 VanDerWaalsContact CD2-CD1 3.43Å; H569-L654 WeakPolarHBondContact CD2-CD1 3.4Å; T652-L654 VanDerWaalsContact C-N 3.28Å; T652-L654 PolarHBondContact O-N 3.17Å; L654-A657 PolarHBondContact O-N 3.43Å; L654-I658 WeakPolarHBondContact O-CD1 3.49Å; L654-I658 WeakPolarHBondContact O-CG1 3.49Å; L654-I658 PolarHBondContact O-N 3.48Å; L654-R684 HydrophobicContact CD1-CB 3.86Å; L654-R684 HydrophobicContact CD2-CB 4.45Å; L654-K685 HydrophobicContact CB-CD 4.42Å; L654-K685 HydrophobicContact CD1-CD 4.37Å; L654-K685 HydrophobicContact CD1-CG 3.6Å |
| 655 | E | 96.9 | Very high | 96.2 | Very high | 82 Ų | 82 | 54.5 Ų | 54.5 | 38% | 0.383 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -70.8 | -40.1 | 175.6 | -59.8 | -52.1 | 141.5 | 0 | 0 | 111 | T652 P653 A657 I658 K659 K685 | T652-E655 HydrophobicContact CG2-CG 4.5Å; T652-E655 PolarHBondContact O-N 3Å; T652-E655 VanDerWaalsContact O-N 3.11Å; P653-E655 VanDerWaalsContact C-N 3.32Å; P653-E655 PolarHBondContact O-N 3.02Å; E655-A657 VanDerWaalsContact C-N 3.35Å; E655-I658 PolarHBondContact O-N 3Å; E655-K659 PolarHBondContact O-N 3.47Å; E655-K659 VanDerWaalsContact O-N 3.16Å; E655-K685 IonicContact OE1-NZ 3.3Å; E655-K685 PolarHBondContact OE1-NZ 3.39Å; E655-K685 IonicContact OE2-NZ 3.12Å |
| 656 | E | 97.2 | Very high | 96.3 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 14% | 0.14 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -40.3 | 172.9 | -62.8 | -52.9 | 127.7 | 0 | 0 | 111.6 | Y565 V650 T652 P653 I658 K659 F660 | Y565-E656 HydrophobicContact CD1-CB 4.26Å; Y565-E656 HydrophobicContact CD2-CB 4.06Å; Y565-E656 HydrophobicContact CE1-CB 3.81Å; Y565-E656 HydrophobicContact CE1-CG 4.31Å; Y565-E656 HydrophobicContact CE2-CB 3.58Å; Y565-E656 HydrophobicContact CG-CB 4.38Å; Y565-E656 VanDerWaalsContact CZ-CB 3.44Å; V650-E656 HydrophobicContact CG1-CG 4.44Å; V650-E656 HydrophobicContact CG2-CG 4.11Å; T652-E656 PolarHBondContact O-N 3.28Å; P653-E656 PolarHBondContact O-N 2.91Å; E656-I658 VanDerWaalsContact C-N 3.29Å; E656-I658 PolarHBondContact O-N 3.28Å; E656-K659 WeakPolarHBondContact O-CB 3.48Å; E656-K659 PolarHBondContact O-N 2.9Å; E656-K659 VanDerWaalsContact O-N 3.16Å; E656-K659 WeakPolarHBondContact OE1-CE 3.46Å; E656-K659 IonicContact OE1-NZ 3.35Å; E656-K659 PolarHBondContact OE1-NZ 2.96Å; E656-K659 WeakPolarHBondContact OE2-CD 3.46Å; E656-K659 IonicContact OE2-NZ 3.67Å; E656-K659 PolarHBondContact OE2-NZ 3.39Å; E656-F660 PolarHBondContact O-N 3.33Å |
| 657 | A | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.5 | -38.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I562 Y565 P653 L654 E655 K659 F660 L661 I681 | I562-A657 HydrophobicContact CG1-CB 4.46Å; Y565-A657 HydrophobicContact CD2-CB 4.17Å; Y565-A657 HydrophobicContact CG-CB 4.34Å; P653-A657 PolarHBondContact O-N 3.17Å; L654-A657 PolarHBondContact O-N 3.43Å; E655-A657 VanDerWaalsContact C-N 3.35Å; A657-K659 VanDerWaalsContact C-N 3.32Å; A657-K659 PolarHBondContact O-N 3.33Å; A657-F660 PolarHBondContact O-N 2.73Å; A657-L661 WeakPolarHBondContact O-CB 3.44Å; A657-L661 PolarHBondContact O-N 3.14Å; A657-I681 HydrophobicContact CB-CD1 3.84Å; A657-I681 HydrophobicContact CB-CG1 4.31Å |
| 658 | I | 97.9 | Very high | 96.5 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 16% | 0.164 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -64.2 | -35.5 | 176.6 | -72.9 | 165 | 0 | 0 | 0 | 111.6 | L654 E655 E656 L661 T662 I681 K685 | L654-I658 WeakPolarHBondContact O-CD1 3.49Å; L654-I658 WeakPolarHBondContact O-CG1 3.49Å; L654-I658 PolarHBondContact O-N 3.48Å; E655-I658 PolarHBondContact O-N 3Å; E656-I658 VanDerWaalsContact C-N 3.29Å; E656-I658 PolarHBondContact O-N 3.28Å; I658-L661 PolarHBondContact O-N 3.43Å; I658-T662 WeakPolarHBondContact O-CB 3.27Å; I658-T662 PolarHBondContact O-N 3.39Å; I658-T662 PolarHBondContact O-OG1 3.27Å; I658-I681 HydrophobicContact CD1-CG2 4.02Å; I658-I681 HydrophobicContact CG1-CG2 3.8Å; I658-K685 HydrophobicContact CD1-CD 3.99Å |
| 659 | K | 97.7 | Very high | 96.6 | Very high | 125 Ų | 125 | 52.8 Ų | 52.8 | 54% | 0.543 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -45.7 | 175.6 | -66.3 | 175.4 | -173.2 | 168.8 | 0 | 111.4 | E655 E656 A657 P663 | E655-K659 PolarHBondContact O-N 3.47Å; E655-K659 VanDerWaalsContact O-N 3.16Å; E656-K659 WeakPolarHBondContact O-CB 3.48Å; E656-K659 PolarHBondContact O-N 2.9Å; E656-K659 VanDerWaalsContact O-N 3.16Å; E656-K659 WeakPolarHBondContact OE1-CE 3.46Å; E656-K659 IonicContact OE1-NZ 3.35Å; E656-K659 PolarHBondContact OE1-NZ 2.96Å; E656-K659 WeakPolarHBondContact OE2-CD 3.46Å; E656-K659 IonicContact OE2-NZ 3.67Å; E656-K659 PolarHBondContact OE2-NZ 3.39Å; A657-K659 VanDerWaalsContact C-N 3.32Å; A657-K659 PolarHBondContact O-N 3.33Å; K659-P663 WeakPolarHBondContact O-CD 3.42Å |
| 660 | F | 98.3 | Very high | 96.7 | Very high | 7 Ų | 7 | 53.5 Ų | 53.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71 | -33.1 | 175.3 | -77.3 | -80.8 | 0 | 0 | 0 | 113.4 | C508 H509 E512 Y554 A558 A561 I562 Y565 E656 A657 | C508-F660 HydrophobicContact CB-CZ 4.38Å; H509-F660 AromaticContact CE1-CE2 3.71Å; H509-F660 AromaticContact CE1-CZ 3.96Å; H509-F660 AromaticContact NE2-CE2 3.82Å; E512-F660 HydrophobicContact CB-CE1 4.1Å; E512-F660 HydrophobicContact CB-CZ 4.48Å; Y554-F660 PolarHBondContact OH-O 3.46Å; Y554-F660 VanDerWaalsContact OH-O 3.07Å; A558-F660 HydrophobicContact CB-CB 4.07Å; A558-F660 HydrophobicContact CB-CD1 4.09Å; A561-F660 HydrophobicContact CB-CD1 4.3Å; A561-F660 HydrophobicContact CB-CD2 3.89Å; A561-F660 HydrophobicContact CB-CE1 4.38Å; A561-F660 HydrophobicContact CB-CE2 3.99Å; A561-F660 HydrophobicContact CB-CG 4.06Å; A561-F660 HydrophobicContact CB-CZ 4.24Å; I562-F660 HydrophobicContact CD1-CB 4.31Å; I562-F660 HydrophobicContact CG1-CB 4.09Å; Y565-F660 HydrophobicContact CE2-CD2 4.22Å; Y565-F660 HydrophobicContact CE2-CE2 4.2Å; E656-F660 PolarHBondContact O-N 3.33Å; A657-F660 PolarHBondContact O-N 2.73Å |
| 661 | L | 98.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -72.3 | -31.3 | 179.1 | 177.6 | 65.6 | 0 | 0 | 0 | 112.7 | I562 A657 I658 L664 K665 T674 F677 A678 I681 | I562-L661 HydrophobicContact CD1-CB 4Å; I562-L661 HydrophobicContact CD1-CD1 4.37Å; A657-L661 WeakPolarHBondContact O-CB 3.44Å; A657-L661 PolarHBondContact O-N 3.14Å; I658-L661 PolarHBondContact O-N 3.43Å; L661-L664 WeakPolarHBondContact O-CB 3.4Å; L661-L664 PolarHBondContact O-N 3.13Å; L661-L664 VanDerWaalsContact O-N 3.12Å; L661-K665 HydrophobicContact CD1-CD 4.43Å; L661-K665 HydrophobicContact CD1-CG 4.12Å; L661-K665 HydrophobicContact CD2-CD 3.91Å; L661-K665 HydrophobicContact CD2-CG 4.5Å; L661-K665 HydrophobicContact CG-CD 3.81Å; L661-K665 HydrophobicContact CG-CG 3.98Å; L661-K665 PolarHBondContact O-N 3.27Å; L661-T674 WeakPolarHBondContact CD1-O 3.48Å; L661-F677 HydrophobicContact CD1-CB 4.17Å; L661-A678 HydrophobicContact CD1-CB 4.33Å; L661-A678 HydrophobicContact CD2-CB 3.75Å; L661-I681 HydrophobicContact CB-CD1 4.32Å; L661-I681 HydrophobicContact CD2-CD1 3.68Å |
| 662 | T | 98 | Very high | 97 | Very high | 57 Ų | 57 | 47.5 Ų | 47.5 | 35% | 0.35 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.4 | -48.4 | -170.7 | -67 | 0 | 0 | 0 | 0 | 112.7 | I658 L664 K665 N666 | I658-T662 WeakPolarHBondContact O-CB 3.27Å; I658-T662 PolarHBondContact O-N 3.39Å; I658-T662 PolarHBondContact O-OG1 3.27Å; T662-L664 VanDerWaalsContact C-N 3.28Å; T662-L664 PolarHBondContact O-N 3.42Å; T662-K665 PolarHBondContact O-N 3.27Å; T662-N666 PolarHBondContact O-N 3.17Å; T662-N666 VanDerWaalsContact O-N 3.15Å |
| 663 | P | 97.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 46.7 Ų | 46.7 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.9 | -35.1 | 175 | -27.4 | 39.6 | 0 | 0 | 0 | 112.9 | R549 Y554 K659 N666 L667 | R549-P663 HydrophobicContact CB-CB 4.08Å; Y554-P663 HydrophobicContact CE1-CB 3.69Å; Y554-P663 HydrophobicContact CE1-CG 4.25Å; Y554-P663 WeakPolarHBondContact OH-CD 3.4Å; Y554-P663 WeakPolarHBondContact OH-CG 3.44Å; K659-P663 WeakPolarHBondContact O-CD 3.42Å; P663-N666 PolarHBondContact O-N 2.92Å; P663-L667 VanDerWaalsContact O-CB 3.31Å; P663-L667 WeakPolarHBondContact O-CB 3.46Å; P663-L667 WeakPolarHBondContact O-CG 3.47Å; P663-L667 PolarHBondContact O-N 3.12Å |
| 664 | L | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.1 | -44.6 | 175.3 | -57 | -173 | 0 | 0 | 0 | 111.9 | Y554 F555 A558 I562 L661 T662 N666 V668 T674 | Y554-L664 HydrophobicContact CD1-CD2 3.64Å; Y554-L664 HydrophobicContact CE1-CD2 3.6Å; Y554-L664 HydrophobicContact CE1-CG 4.05Å; F555-L664 HydrophobicContact CB-CD2 4.45Å; F555-L664 HydrophobicContact CD2-CD1 4.15Å; F555-L664 HydrophobicContact CD2-CD2 3.89Å; F555-L664 HydrophobicContact CE2-CD1 4.37Å; A558-L664 HydrophobicContact CB-CD1 3.92Å; A558-L664 HydrophobicContact CB-CG 4.34Å; I562-L664 HydrophobicContact CD1-CD1 4.37Å; L661-L664 WeakPolarHBondContact O-CB 3.4Å; L661-L664 PolarHBondContact O-N 3.13Å; L661-L664 VanDerWaalsContact O-N 3.12Å; T662-L664 VanDerWaalsContact C-N 3.28Å; T662-L664 PolarHBondContact O-N 3.42Å; L664-N666 VanDerWaalsContact C-N 3.26Å; L664-N666 PolarHBondContact O-N 2.91Å; L664-V668 HydrophobicContact CD2-CB 4.38Å; L664-V668 HydrophobicContact CD2-CG2 3.95Å; L664-V668 CarbonylContact O-C 3.59Å; L664-V668 VanDerWaalsContact O-C 3.24Å; L664-V668 VanDerWaalsContact O-CA 3.28Å; L664-V668 WeakPolarHBondContact O-CA 3.46Å; L664-V668 PolarHBondContact O-N 2.87Å; L664-T674 HydrophobicContact CB-CG2 3.81Å; L664-T674 WeakPolarHBondContact O-CG2 3.43Å |
| 665 | K | 96.9 | Very high | 97.3 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 19% | 0.191 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.1 | -32.1 | 177.6 | -76.3 | 174.8 | 62.8 | -168.8 | 0 | 113.1 | L661 T662 K669 T674 A678 Y682 | L661-K665 HydrophobicContact CD1-CD 4.43Å; L661-K665 HydrophobicContact CD1-CG 4.12Å; L661-K665 HydrophobicContact CD2-CD 3.91Å; L661-K665 HydrophobicContact CD2-CG 4.5Å; L661-K665 HydrophobicContact CG-CD 3.81Å; L661-K665 HydrophobicContact CG-CG 3.98Å; L661-K665 PolarHBondContact O-N 3.27Å; T662-K665 PolarHBondContact O-N 3.27Å; K665-K669 WeakPolarHBondContact O-CE 3.18Å; K665-K669 WeakPolarHBondContact O-CG 3.5Å; K665-T674 HydrophobicContact CG-CG2 4.17Å; K665-A678 HydrophobicContact CD-CB 4.46Å; K665-Y682 PolarHBondContact NZ-OH 3.43Å |
| 666 | N | 95.6 | Very high | 97.4 | Very high | 99 Ų | 99 | 41.8 Ų | 41.8 | 53% | 0.529 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -81 | -45.6 | -178.8 | -68.1 | -13 | 0 | 0 | 0 | 111.2 | T662 P663 L664 K669 | T662-N666 PolarHBondContact O-N 3.17Å; T662-N666 VanDerWaalsContact O-N 3.15Å; P663-N666 PolarHBondContact O-N 2.92Å; L664-N666 VanDerWaalsContact C-N 3.26Å; L664-N666 PolarHBondContact O-N 2.91Å; N666-K669 WeakPolarHBondContact O-CE 3.28Å; N666-K669 PolarHBondContact O-NZ 3.42Å |
| 667 | L | 96.8 | Very high | 97.5 | Very high | 42 Ų | 42 | 40.6 Ų | 40.6 | 22% | 0.22 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -108 | -28.3 | -165.3 | -56.2 | 178.7 | 0 | 0 | 0 | 114.2 | V547 R549 Q550 P663 | V547-L667 HydrophobicContact CG1-CD2 4.29Å; R549-L667 HydrophobicContact CB-CD1 3.87Å; Q550-L667 HydrophobicContact CG-CB 3.63Å; Q550-L667 PolarHBondContact NE2-O 2.79Å; P663-L667 VanDerWaalsContact O-CB 3.31Å; P663-L667 WeakPolarHBondContact O-CB 3.46Å; P663-L667 WeakPolarHBondContact O-CG 3.47Å; P663-L667 PolarHBondContact O-N 3.12Å |
| 668 | V | 96.9 | Very high | 97.5 | Very high | 11 Ų | 11 | 40.6 Ų | 40.6 | 7% | 0.067 | 20% | 0.2 | C | C | . | . | trans | -118 | 51.9 | -172 | -161.7 | 0 | 0 | 0 | 0 | 110.5 | Q550 F555 L664 N670 K671 T674 | Q550-V668 HydrophobicContact CG-CG2 4.43Å; F555-V668 HydrophobicContact CD2-CG1 4.34Å; L664-V668 HydrophobicContact CD2-CB 4.38Å; L664-V668 HydrophobicContact CD2-CG2 3.95Å; L664-V668 CarbonylContact O-C 3.59Å; L664-V668 VanDerWaalsContact O-C 3.24Å; L664-V668 VanDerWaalsContact O-CA 3.28Å; L664-V668 WeakPolarHBondContact O-CA 3.46Å; L664-V668 PolarHBondContact O-N 2.87Å; V668-N670 VanDerWaalsContact C-N 3.25Å; V668-N670 PolarHBondContact O-N 2.88Å; V668-K671 HydrophobicContact CG1-CB 3.89Å; V668-K671 HydrophobicContact CG1-CG 3.52Å; V668-T674 WeakPolarHBondContact O-CB 3.45Å; V668-T674 PolarHBondContact O-OG1 3.3Å | ||
| 669 | K | 96.2 | Very high | 97.5 | Very high | 124 Ų | 124 | 39.1 Ų | 39.1 | 54% | 0.539 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -19 | -178.6 | -66.4 | 170.2 | -178.2 | 156.7 | 0 | 113.3 | K665 N666 K671 H675 I701 | K665-K669 WeakPolarHBondContact O-CE 3.18Å; K665-K669 WeakPolarHBondContact O-CG 3.5Å; N666-K669 WeakPolarHBondContact O-CE 3.28Å; N666-K669 PolarHBondContact O-NZ 3.42Å; K669-K671 VanDerWaalsContact C-N 3.34Å; K669-H675 PolarHBondContact O-NE2 3.01Å; K669-I701 WeakPolarHBondContact O-CD1 3.37Å |
| 670 | N | 95.3 | Very high | 97.5 | Very high | 120 Ų | 120 | 33.9 Ų | 33.9 | 64% | 0.642 | 17% | 0.169 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -10.1 | -179.1 | 61.7 | -50.3 | 0 | 0 | 0 | 113.8 | V668 | V668-N670 VanDerWaalsContact C-N 3.25Å; V668-N670 PolarHBondContact O-N 2.88Å |
| 671 | K | 96.5 | Very high | 97.5 | Very high | 91 Ų | 91 | 33.5 Ų | 33.5 | 40% | 0.396 | 17% | 0.168 | S | C | . | . | trans | -94.3 | 128.9 | 175.6 | -74 | -72.3 | -169.1 | 168.2 | 0 | 110.3 | F555 V668 K669 E673 T674 H675 | F555-K671 HydrophobicContact CE2-CB 4.22Å; F555-K671 HydrophobicContact CE2-CG 4.3Å; V668-K671 HydrophobicContact CG1-CB 3.89Å; V668-K671 HydrophobicContact CG1-CG 3.52Å; K669-K671 VanDerWaalsContact C-N 3.34Å; K671-E673 VanDerWaalsContact C-N 3.3Å; K671-E673 PolarHBondContact O-N 2.9Å; K671-T674 WeakPolarHBondContact O-CB 3.47Å; K671-T674 PolarHBondContact O-N 3.1Å; K671-H675 PolarHBondContact O-CD2 3.27Å | ||
| 672 | I | 98.2 | Very high | 97.4 | Very high | 12 Ų | 12 | 34.6 Ų | 34.6 | 6% | 0.062 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -66 | -37.3 | -178.9 | -165.6 | 168 | 0 | 0 | 0 | 111.1 | T674 H675 L676 A698 I701 D702 H705 L708 | I672-T674 PolarHBondContact O-N 3.01Å; I672-H675 PolarHBondContact O-N 3.23Å; I672-L676 HydrophobicContact CD1-CD1 4.47Å; I672-L676 HydrophobicContact CG1-CD1 3.98Å; I672-L676 HydrophobicContact CG1-CG 4.15Å; I672-L676 HydrophobicContact CG2-CD1 4.32Å; I672-L676 WeakPolarHBondContact O-CG 3.46Å; I672-L676 PolarHBondContact O-N 3.09Å; I672-A698 HydrophobicContact CD1-CB 4.23Å; I672-A698 HydrophobicContact CG1-CB 3.78Å; I672-I701 HydrophobicContact CB-CB 4.48Å; I672-I701 HydrophobicContact CB-CD1 4.36Å; I672-I701 HydrophobicContact CB-CG2 4.18Å; I672-D702 HydrophobicContact CD1-CB 4.05Å; I672-H705 HydrophobicContact CD1-CB 3.53Å; I672-L708 HydrophobicContact CD1-CB 4.47Å; I672-L708 HydrophobicContact CD1-CD2 4.48Å |
| 673 | E | 97.9 | Very high | 97.3 | Very high | 53 Ų | 53 | 34.2 Ų | 34.2 | 25% | 0.248 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.8 | -34.1 | -179 | -55.1 | 94 | 139.8 | 0 | 0 | 112.2 | F555 K671 H675 L676 F677 W707 | F555-E673 HydrophobicContact CZ-CB 3.97Å; F555-E673 HydrophobicContact CZ-CG 4.45Å; K671-E673 VanDerWaalsContact C-N 3.3Å; K671-E673 PolarHBondContact O-N 2.9Å; E673-H675 VanDerWaalsContact C-N 3.27Å; E673-H675 PolarHBondContact O-N 2.99Å; E673-L676 PolarHBondContact O-N 3.22Å; E673-F677 HydrophobicContact CB-CD2 4.34Å; E673-F677 HydrophobicContact CB-CE2 4.16Å; E673-F677 WeakPolarHBondContact O-CB 3.48Å; E673-F677 WeakPolarHBondContact O-CD2 3.39Å; E673-F677 PolarHBondContact O-N 2.93Å; E673-W707 HydrophobicContact CB-CZ3 4.31Å; E673-W707 HydrophobicContact CG-CZ3 4.39Å |
| 674 | T | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54.8 | -45.5 | 173.9 | -62.8 | 0 | 0 | 0 | 0 | 110.9 | L661 L664 K665 V668 K671 I672 A678 | L661-T674 WeakPolarHBondContact CD1-O 3.48Å; L664-T674 HydrophobicContact CB-CG2 3.81Å; L664-T674 WeakPolarHBondContact O-CG2 3.43Å; K665-T674 HydrophobicContact CG-CG2 4.17Å; V668-T674 WeakPolarHBondContact O-CB 3.45Å; V668-T674 PolarHBondContact O-OG1 3.3Å; K671-T674 WeakPolarHBondContact O-CB 3.47Å; K671-T674 PolarHBondContact O-N 3.1Å; I672-T674 PolarHBondContact O-N 3.01Å; T674-A678 WeakPolarHBondContact O-CB 3.22Å; T674-A678 PolarHBondContact O-N 2.96Å |
| 675 | H | 98.2 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 3% | 0.028 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79.8 | -30.9 | -178.4 | -53.4 | -67.4 | 0 | 0 | 0 | 111.9 | K669 K671 I672 E673 A678 F679 S694 R697 A698 | K669-H675 PolarHBondContact O-NE2 3.01Å; K671-H675 PolarHBondContact O-CD2 3.27Å; I672-H675 PolarHBondContact O-N 3.23Å; E673-H675 VanDerWaalsContact C-N 3.27Å; E673-H675 PolarHBondContact O-N 2.99Å; H675-A678 WeakPolarHBondContact O-CB 3.47Å; H675-A678 PolarHBondContact O-N 3.26Å; H675-F679 PolarHBondContact O-N 3.45Å; H675-S694 WeakPolarHBondContact O-CB 3.07Å; H675-R697 HydrophobicContact CB-CB 4.36Å; H675-R697 WeakPolarHBondContact ND1-CB 3.41Å; H675-A698 HydrophobicContact CB-CB 3.98Å |
| 676 | L | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -67.9 | -43.3 | 174.8 | -60.9 | 175.5 | 0 | 0 | 0 | 111.7 | I672 E673 A678 F679 E680 A698 W707 L708 | I672-L676 HydrophobicContact CD1-CD1 4.47Å; I672-L676 HydrophobicContact CG1-CD1 3.98Å; I672-L676 HydrophobicContact CG1-CG 4.15Å; I672-L676 HydrophobicContact CG2-CD1 4.32Å; I672-L676 WeakPolarHBondContact O-CG 3.46Å; I672-L676 PolarHBondContact O-N 3.09Å; E673-L676 PolarHBondContact O-N 3.22Å; L676-A678 VanDerWaalsContact C-N 3.32Å; L676-A678 PolarHBondContact O-N 3.41Å; L676-F679 WeakPolarHBondContact O-CA 3.33Å; L676-F679 WeakPolarHBondContact O-CB 3.33Å; L676-F679 PolarHBondContact O-N 3.05Å; L676-F679 VanDerWaalsContact O-N 3.11Å; L676-E680 WeakPolarHBondContact O-CG 3.24Å; L676-E680 PolarHBondContact O-N 2.99Å; L676-A698 HydrophobicContact CD2-CB 4.08Å; L676-W707 HydrophobicContact CB-CD2 3.84Å; L676-W707 HydrophobicContact CB-CE3 3.76Å; L676-W707 HydrophobicContact CB-CH2 3.71Å; L676-W707 HydrophobicContact CB-CZ2 3.81Å; L676-W707 HydrophobicContact CB-CZ3 3.69Å; L676-W707 HydrophobicContact CD1-CB 4Å; L676-W707 HydrophobicContact CD1-CD2 3.58Å; L676-W707 HydrophobicContact CD1-CE3 3.3Å; L676-W707 HydrophobicContact CD1-CG 3.91Å; L676-W707 HydrophobicContact CD1-CZ3 3.95Å; L676-W707 HydrophobicContact CG-CD2 4.23Å; L676-W707 HydrophobicContact CG-CE3 4.14Å; L676-W707 HydrophobicContact CG-CZ3 4.46Å; L676-L708 HydrophobicContact CD2-CB 3.9Å; L676-L708 HydrophobicContact CD2-CD1 3.89Å |
| 677 | F | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 45 Ų | 45 | 2% | 0.018 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.7 | -40 | 170.7 | -76.6 | -54.6 | 0 | 0 | 0 | 112.6 | R559 I562 E563 L566 L661 E673 F679 E680 I681 W707 | R559-F677 HydrophobicContact CB-CE2 4.34Å; R559-F677 HydrophobicContact CG-CE2 3.74Å; R559-F677 HydrophobicContact CG-CZ 3.66Å; I562-F677 HydrophobicContact CB-CD1 4.33Å; I562-F677 HydrophobicContact CG2-CB 4.07Å; I562-F677 HydrophobicContact CG2-CD1 3.49Å; I562-F677 VanDerWaalsContact CG2-CD1 3.49Å; I562-F677 HydrophobicContact CG2-CE1 4.15Å; I562-F677 HydrophobicContact CG2-CG 3.89Å; E563-F677 HydrophobicContact CG-CE1 3.61Å; E563-F677 HydrophobicContact CG-CZ 3.81Å; L566-F677 HydrophobicContact CD1-CD1 4.19Å; L661-F677 HydrophobicContact CD1-CB 4.17Å; E673-F677 HydrophobicContact CB-CD2 4.34Å; E673-F677 HydrophobicContact CB-CE2 4.16Å; E673-F677 WeakPolarHBondContact O-CB 3.48Å; E673-F677 WeakPolarHBondContact O-CD2 3.39Å; E673-F677 PolarHBondContact O-N 2.93Å; F677-F679 VanDerWaalsContact C-N 3.28Å; F677-F679 PolarHBondContact O-N 3.23Å; F677-E680 PolarHBondContact O-N 3.27Å; F677-I681 WeakPolarHBondContact O-CG1 3.12Å; F677-I681 PolarHBondContact O-N 2.68Å; F677-W707 AromaticContact CD1-CH2 3.75Å; F677-W707 HydrophobicContact CD1-CH2 3.75Å; F677-W707 HydrophobicContact CD1-CZ2 4.29Å; F677-W707 HydrophobicContact CD2-CH2 4.25Å; F677-W707 AromaticContact CE1-CH2 3.57Å; F677-W707 HydrophobicContact CE1-CH2 3.57Å; F677-W707 HydrophobicContact CE1-CZ2 4.26Å; F677-W707 HydrophobicContact CE2-CH2 4.07Å; F677-W707 HydrophobicContact CE2-CZ3 4.42Å; F677-W707 HydrophobicContact CG-CH2 4.07Å; F677-W707 AromaticContact CZ-CH2 3.72Å; F677-W707 HydrophobicContact CZ-CH2 3.72Å; F677-W707 HydrophobicContact CZ-CZ3 4.28Å |
| 678 | A | 98.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60 | -41.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | L661 K665 T674 H675 L676 Y682 S694 | L661-A678 HydrophobicContact CD1-CB 4.33Å; L661-A678 HydrophobicContact CD2-CB 3.75Å; K665-A678 HydrophobicContact CD-CB 4.46Å; T674-A678 WeakPolarHBondContact O-CB 3.22Å; T674-A678 PolarHBondContact O-N 2.96Å; H675-A678 WeakPolarHBondContact O-CB 3.47Å; H675-A678 PolarHBondContact O-N 3.26Å; L676-A678 VanDerWaalsContact C-N 3.32Å; L676-A678 PolarHBondContact O-N 3.41Å; A678-Y682 HydrophobicContact CB-CD2 4.34Å; A678-Y682 HydrophobicContact CB-CE2 4.05Å; A678-Y682 WeakPolarHBondContact O-CB 3.48Å; A678-Y682 WeakPolarHBondContact O-CD2 3.27Å; A678-Y682 VanDerWaalsContact O-CG 3.24Å; A678-Y682 PolarHBondContact O-N 3.3Å; A678-S694 WeakPolarHBondContact CB-OG 3.43Å |
| 679 | F | 98.3 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60 | -51 | 173.2 | 176.6 | -88.6 | 0 | 0 | 0 | 111.6 | H675 L676 F677 I681 Y682 F683 M691 V695 C711 L715 | H675-F679 PolarHBondContact O-N 3.45Å; L676-F679 WeakPolarHBondContact O-CA 3.33Å; L676-F679 WeakPolarHBondContact O-CB 3.33Å; L676-F679 PolarHBondContact O-N 3.05Å; L676-F679 VanDerWaalsContact O-N 3.11Å; F677-F679 VanDerWaalsContact C-N 3.28Å; F677-F679 PolarHBondContact O-N 3.23Å; F679-I681 VanDerWaalsContact C-N 3.3Å; F679-I681 PolarHBondContact O-N 3.27Å; F679-Y682 PolarHBondContact O-N 3.27Å; F679-Y682 VanDerWaalsContact O-N 3.16Å; F679-F683 HydrophobicContact CD1-CB 4.47Å; F679-F683 HydrophobicContact CE1-CB 4.13Å; F679-F683 HydrophobicContact CE1-CD2 4.25Å; F679-F683 HydrophobicContact CE1-CG 4.32Å; F679-F683 HydrophobicContact CZ-CB 4.42Å; F679-F683 HydrophobicContact CZ-CD2 4.04Å; F679-F683 VanDerWaalsContact O-CB 3.23Å; F679-F683 WeakPolarHBondContact O-CB 3.23Å; F679-F683 PolarHBondContact O-N 3.11Å; F679-M691 HydrophobicContact CD2-CB 3.85Å; F679-M691 HydrophobicContact CD2-CG 4.15Å; F679-M691 HydrophobicContact CE2-CB 3.81Å; F679-M691 HydrophobicContact CE2-CG 4.09Å; F679-M691 HydrophobicContact CE2-SD 3.99Å; F679-M691 HydrophobicContact CZ-SD 4.3Å; F679-V695 HydrophobicContact CD2-CG2 3.59Å; F679-V695 HydrophobicContact CE2-CG2 3.82Å; F679-V695 HydrophobicContact CG-CG2 4.47Å; F679-C711 HydrophobicContact CD1-CB 3.48Å; F679-C711 VanDerWaalsContact CD1-CB 3.48Å; F679-C711 WeakPolarHBondContact CD1-SG 3.36Å; F679-C711 HydrophobicContact CD2-CB 4.16Å; F679-C711 HydrophobicContact CE1-CB 3.49Å; F679-C711 VanDerWaalsContact CE1-CB 3.49Å; F679-C711 HydrophobicContact CE2-CB 4.15Å; F679-C711 HydrophobicContact CG-CB 3.83Å; F679-C711 HydrophobicContact CZ-CB 3.83Å; F679-C711 WeakPolarHBondContact CZ-O 3.26Å; F679-L715 HydrophobicContact CE2-CB 3.93Å; F679-L715 HydrophobicContact CE2-CD2 4.47Å; F679-L715 HydrophobicContact CZ-CB 4.15Å |
| 680 | E | 98 | Very high | 95.5 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -40.3 | -178.4 | -68.5 | -62.2 | 168.8 | 0 | 0 | 113.3 | L566 L676 F677 R684 W707 R714 | L566-E680 HydrophobicContact CD1-CB 3.77Å; L566-E680 HydrophobicContact CD1-CG 4.32Å; L566-E680 HydrophobicContact CD2-CB 4.06Å; L676-E680 WeakPolarHBondContact O-CG 3.24Å; L676-E680 PolarHBondContact O-N 2.99Å; F677-E680 PolarHBondContact O-N 3.27Å; E680-R684 PolarHBondContact O-N 2.79Å; E680-R684 PolarHBondContact O-NH1 2.83Å; E680-R684 IonicContact OE2-CZ 3.99Å; E680-R684 IonicContact OE2-NH1 2.88Å; E680-R684 PolarHBondContact OE2-NH1 3.36Å; E680-R684 IonicContact OE2-NH2 3.15Å; E680-W707 HydrophobicContact CG-CZ2 3.85Å; E680-W707 PolarHBondContact OE1-NE1 3.11Å; E680-R714 IonicContact OE1-CZ 2.94Å; E680-R714 IonicContact OE1-NH1 3.82Å; E680-R714 PolarHBondContact OE1-NH1 2.73Å; E680-R714 IonicContact OE1-NH2 2.78Å; E680-R714 PolarHBondContact OE1-NH2 3.13Å; E680-R714 IonicContact OE2-CZ 3.99Å; E680-R714 IonicContact OE2-NH1 3.7Å; E680-R714 PolarHBondContact OE2-NH1 3.12Å; E680-R714 IonicContact OE2-NH2 3.13Å |
| 681 | I | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.9 | -49 | 176.4 | -70.2 | 162.9 | 0 | 0 | 0 | 110.2 | I562 L566 A657 I658 L661 F677 F679 F683 R684 K685 | I562-I681 HydrophobicContact CG2-CD1 4.03Å; L566-I681 HydrophobicContact CD2-CG1 3.88Å; A657-I681 HydrophobicContact CB-CD1 3.84Å; A657-I681 HydrophobicContact CB-CG1 4.31Å; I658-I681 HydrophobicContact CD1-CG2 4.02Å; I658-I681 HydrophobicContact CG1-CG2 3.8Å; L661-I681 HydrophobicContact CB-CD1 4.32Å; L661-I681 HydrophobicContact CD2-CD1 3.68Å; F677-I681 WeakPolarHBondContact O-CG1 3.12Å; F677-I681 PolarHBondContact O-N 2.68Å; F679-I681 VanDerWaalsContact C-N 3.3Å; F679-I681 PolarHBondContact O-N 3.27Å; I681-F683 VanDerWaalsContact C-N 3.28Å; I681-F683 PolarHBondContact O-N 2.94Å; I681-R684 PolarHBondContact O-N 3.16Å; I681-K685 HydrophobicContact CG2-CD 4.28Å; I681-K685 WeakPolarHBondContact O-CG 3.44Å; I681-K685 PolarHBondContact O-N 3.35Å |
| 682 | Y | 96.6 | Very high | 95.2 | Very high | 23 Ų | 23 | 35.7 Ų | 35.7 | 9% | 0.09 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -71.3 | -23.9 | -178.1 | -64 | -40.2 | 0 | 0 | 0 | 113.7 | K665 A678 F679 K685 E686 K687 L690 | K665-Y682 PolarHBondContact NZ-OH 3.43Å; A678-Y682 HydrophobicContact CB-CD2 4.34Å; A678-Y682 HydrophobicContact CB-CE2 4.05Å; A678-Y682 WeakPolarHBondContact O-CB 3.48Å; A678-Y682 WeakPolarHBondContact O-CD2 3.27Å; A678-Y682 VanDerWaalsContact O-CG 3.24Å; A678-Y682 PolarHBondContact O-N 3.3Å; F679-Y682 PolarHBondContact O-N 3.27Å; F679-Y682 VanDerWaalsContact O-N 3.16Å; Y682-K685 CarbonylContact O-C 3.33Å; Y682-E686 PolarHBondContact O-N 3.02Å; Y682-K687 HydrophobicContact CD1-CB 4.45Å; Y682-K687 PolarHBondContact O-N 3.17Å; Y682-L690 HydrophobicContact CD1-CB 4.16Å; Y682-L690 HydrophobicContact CD1-CD1 3.84Å; Y682-L690 HydrophobicContact CD2-CB 3.46Å; Y682-L690 VanDerWaalsContact CD2-CB 3.46Å; Y682-L690 HydrophobicContact CD2-CD1 4.38Å; Y682-L690 HydrophobicContact CE1-CB 4.49Å; Y682-L690 HydrophobicContact CE1-CD1 3.67Å; Y682-L690 HydrophobicContact CE2-CB 3.84Å; Y682-L690 HydrophobicContact CE2-CD1 4.22Å; Y682-L690 HydrophobicContact CG-CB 3.65Å; Y682-L690 HydrophobicContact CG-CD1 4.22Å |
| 683 | F | 95.2 | Very high | 95.1 | Very high | 49 Ų | 49 | 38.7 Ų | 38.7 | 22% | 0.215 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.3 | -50.5 | 170 | -179.6 | -98.3 | 0 | 0 | 0 | 110.7 | F679 I681 K685 E686 M691 R714 T718 | F679-F683 HydrophobicContact CD1-CB 4.47Å; F679-F683 HydrophobicContact CE1-CB 4.13Å; F679-F683 HydrophobicContact CE1-CD2 4.25Å; F679-F683 HydrophobicContact CE1-CG 4.32Å; F679-F683 HydrophobicContact CZ-CB 4.42Å; F679-F683 HydrophobicContact CZ-CD2 4.04Å; F679-F683 VanDerWaalsContact O-CB 3.23Å; F679-F683 WeakPolarHBondContact O-CB 3.23Å; F679-F683 PolarHBondContact O-N 3.11Å; I681-F683 VanDerWaalsContact C-N 3.28Å; I681-F683 PolarHBondContact O-N 2.94Å; F683-K685 VanDerWaalsContact C-N 3.32Å; F683-K685 PolarHBondContact O-N 3.33Å; F683-E686 PolarHBondContact O-N 3.32Å; F683-M691 WeakPolarHBondContact CA-SD 3.31Å; F683-M691 HydrophobicContact CB-SD 3.77Å; F683-M691 HydrophobicContact CD2-SD 3.66Å; F683-M691 HydrophobicContact CG-SD 4.2Å; F683-R714 HydrophobicContact CE2-CB 4.1Å; F683-R714 HydrophobicContact CZ-CB 4.48Å; F683-T718 HydrophobicContact CE2-CG2 3.82Å; F683-T718 HydrophobicContact CZ-CG2 4.24Å |
| 684 | R | 93.8 | Very high | 95 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 22% | 0.215 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.4 | -29.4 | 176.6 | -69.7 | 165.5 | 179.6 | 71.7 | 1.9 | 113.6 | D570 L654 E680 I681 E686 | D570-R684 VanDerWaalsContact CG-NE 3.31Å; D570-R684 WeakPolarHBondContact OD1-CD 3.14Å; D570-R684 IonicContact OD1-CZ 3.57Å; D570-R684 IonicContact OD1-NE 2.67Å; D570-R684 PolarHBondContact OD1-NE 3.16Å; D570-R684 IonicContact OD1-NH2 3.9Å; D570-R684 IonicContact OD2-CZ 3.94Å; D570-R684 VanDerWaalsContact OD2-CZ 3.31Å; D570-R684 IonicContact OD2-NE 3.98Å; D570-R684 PolarHBondContact OD2-NE 3.37Å; D570-R684 VanDerWaalsContact OD2-NE 3.12Å; D570-R684 IonicContact OD2-NH2 2.95Å; D570-R684 PolarHBondContact OD2-NH2 3.4Å; L654-R684 HydrophobicContact CD1-CB 3.86Å; L654-R684 HydrophobicContact CD2-CB 4.45Å; E680-R684 PolarHBondContact O-N 2.79Å; E680-R684 PolarHBondContact O-NH1 2.83Å; E680-R684 IonicContact OE2-CZ 3.99Å; E680-R684 IonicContact OE2-NH1 2.88Å; E680-R684 PolarHBondContact OE2-NH1 3.36Å; E680-R684 IonicContact OE2-NH2 3.15Å; I681-R684 PolarHBondContact O-N 3.16Å; R684-E686 VanDerWaalsContact C-N 3.29Å |
| 685 | K | 93.4 | Very high | 94.9 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 30% | 0.3 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 2.5 | 172.3 | -62.2 | -169.4 | 70.1 | 165.1 | 0 | 114.1 | L654 E655 I658 I681 Y682 F683 K687 | L654-K685 HydrophobicContact CB-CD 4.42Å; L654-K685 HydrophobicContact CD1-CD 4.37Å; L654-K685 HydrophobicContact CD1-CG 3.6Å; E655-K685 IonicContact OE1-NZ 3.3Å; E655-K685 PolarHBondContact OE1-NZ 3.39Å; E655-K685 IonicContact OE2-NZ 3.12Å; I658-K685 HydrophobicContact CD1-CD 3.99Å; I681-K685 HydrophobicContact CG2-CD 4.28Å; I681-K685 WeakPolarHBondContact O-CG 3.44Å; I681-K685 PolarHBondContact O-N 3.35Å; Y682-K685 CarbonylContact O-C 3.33Å; F683-K685 VanDerWaalsContact C-N 3.32Å; F683-K685 PolarHBondContact O-N 3.33Å; K685-K687 VanDerWaalsContact C-N 3.26Å; K685-K687 HydrophobicContact CB-CG 4.11Å; K685-K687 PolarHBondContact O-N 3.34Å |
| 686 | E | 91 | Very high | 94.8 | Very high | 150 Ų | 150 | 39.7 Ų | 39.7 | 70% | 0.701 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 35.9 | -179 | -58.5 | 180 | 171.8 | 0 | 0 | 114.3 | Y682 F683 R684 F688 | Y682-E686 PolarHBondContact O-N 3.02Å; F683-E686 PolarHBondContact O-N 3.32Å; R684-E686 VanDerWaalsContact C-N 3.29Å; E686-F688 PolarHBondContact O-N 3.18Å |
| 687 | K | 90.9 | Very high | 94.7 | Very high | 116 Ų | 116 | 44.6 Ų | 44.6 | 50% | 0.504 | 20% | 0.201 | S | C | . | . | trans | -96 | 77 | 179.7 | -62.7 | -58.4 | -177.4 | -172.9 | 0 | 111.8 | Y682 K685 L689 L690 M691 | Y682-K687 HydrophobicContact CD1-CB 4.45Å; Y682-K687 PolarHBondContact O-N 3.17Å; K685-K687 VanDerWaalsContact C-N 3.26Å; K685-K687 HydrophobicContact CB-CG 4.11Å; K685-K687 PolarHBondContact O-N 3.34Å; K687-L689 PolarHBondContact O-N 3.06Å; K687-L690 HydrophobicContact CB-CB 4.18Å; K687-L690 HydrophobicContact CB-CD1 4.06Å; K687-L690 HydrophobicContact CB-CG 4.34Å; K687-L690 HydrophobicContact CG-CD1 4.43Å; K687-L690 PolarHBondContact O-N 3.13Å; K687-M691 PolarHBondContact O-N 3.4Å | ||
| 688 | F | 88 | Confident | 94.7 | Very high | 32 Ų | 32 | 44.4 Ų | 44.4 | 14% | 0.14 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -51.8 | -42.8 | -174 | -70 | -88.6 | 0 | 0 | 0 | 116.5 | E686 L690 M691 L692 L715 L726 L734 | E686-F688 PolarHBondContact O-N 3.18Å; F688-L690 VanDerWaalsContact C-N 3.33Å; F688-L690 PolarHBondContact O-N 3.48Å; F688-M691 VanDerWaalsContact CA-CE 3.47Å; F688-M691 HydrophobicContact CB-CE 4.08Å; F688-M691 HydrophobicContact CD1-CE 3.38Å; F688-M691 HydrophobicContact CD2-CE 4.1Å; F688-M691 HydrophobicContact CE1-CE 3.72Å; F688-M691 HydrophobicContact CE2-CE 4.41Å; F688-M691 HydrophobicContact CG-CE 3.58Å; F688-M691 HydrophobicContact CZ-CE 4.23Å; F688-M691 WeakPolarHBondContact O-CB 3.28Å; F688-M691 PolarHBondContact O-N 3.34Å; F688-L692 PolarHBondContact O-N 2.87Å; F688-L715 HydrophobicContact CD1-CD1 4.35Å; F688-L726 HydrophobicContact CB-CD2 4.17Å; F688-L726 HydrophobicContact CD2-CD1 4.37Å; F688-L726 HydrophobicContact CD2-CD2 3.68Å; F688-L726 HydrophobicContact CD2-CG 4.39Å; F688-L726 HydrophobicContact CE2-CD1 4.05Å; F688-L726 HydrophobicContact CE2-CD2 4.19Å; F688-L726 HydrophobicContact CE2-CG 4.45Å; F688-L726 HydrophobicContact CG-CD2 3.9Å; F688-L726 HydrophobicContact CZ-CD1 4.23Å; F688-L734 HydrophobicContact CB-CD1 4.16Å; F688-L734 HydrophobicContact CB-CD2 4.47Å |
| 689 | L | 90.1 | Very high | 94.6 | Very high | 92 Ų | 92 | 48 Ų | 48 | 48% | 0.482 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -66.2 | -36.8 | 178.9 | -67.7 | 179.2 | 0 | 0 | 0 | 112.3 | K687 L692 Q693 V730 V733 | K687-L689 PolarHBondContact O-N 3.06Å; L689-L692 PolarHBondContact O-N 3.3Å; L689-Q693 WeakPolarHBondContact O-CB 3.44Å; L689-Q693 PolarHBondContact O-N 2.86Å; L689-V730 HydrophobicContact CD2-CG1 4.06Å; L689-V730 HydrophobicContact CG-CG1 4.2Å; L689-V733 HydrophobicContact CD2-CG1 4.49Å |
| 690 | L | 93.5 | Very high | 94.5 | Very high | 59 Ų | 59 | 52 Ų | 52 | 31% | 0.309 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -73.6 | -34.9 | 176.7 | -63.5 | 179.3 | 0 | 0 | 0 | 111.3 | Y682 K687 F688 Q693 S694 | Y682-L690 HydrophobicContact CD1-CB 4.16Å; Y682-L690 HydrophobicContact CD1-CD1 3.84Å; Y682-L690 HydrophobicContact CD2-CB 3.46Å; Y682-L690 VanDerWaalsContact CD2-CB 3.46Å; Y682-L690 HydrophobicContact CD2-CD1 4.38Å; Y682-L690 HydrophobicContact CE1-CB 4.49Å; Y682-L690 HydrophobicContact CE1-CD1 3.67Å; Y682-L690 HydrophobicContact CE2-CB 3.84Å; Y682-L690 HydrophobicContact CE2-CD1 4.22Å; Y682-L690 HydrophobicContact CG-CB 3.65Å; Y682-L690 HydrophobicContact CG-CD1 4.22Å; K687-L690 HydrophobicContact CB-CB 4.18Å; K687-L690 HydrophobicContact CB-CD1 4.06Å; K687-L690 HydrophobicContact CB-CG 4.34Å; K687-L690 HydrophobicContact CG-CD1 4.43Å; K687-L690 PolarHBondContact O-N 3.13Å; F688-L690 VanDerWaalsContact C-N 3.33Å; F688-L690 PolarHBondContact O-N 3.48Å; L690-Q693 PolarHBondContact O-N 3.42Å; L690-S694 WeakPolarHBondContact O-CB 3.31Å; L690-S694 PolarHBondContact O-N 3.39Å; L690-S694 PolarHBondContact O-OG 2.63Å; L690-S694 VanDerWaalsContact O-OG 3.09Å |
| 691 | M | 93.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.5 | -50.9 | 169.7 | -69.5 | -166.8 | -93.4 | 0 | 0 | 111.6 | F679 F683 K687 F688 Q693 S694 V695 L715 | F679-M691 HydrophobicContact CD2-CB 3.85Å; F679-M691 HydrophobicContact CD2-CG 4.15Å; F679-M691 HydrophobicContact CE2-CB 3.81Å; F679-M691 HydrophobicContact CE2-CG 4.09Å; F679-M691 HydrophobicContact CE2-SD 3.99Å; F679-M691 HydrophobicContact CZ-SD 4.3Å; F683-M691 WeakPolarHBondContact CA-SD 3.31Å; F683-M691 HydrophobicContact CB-SD 3.77Å; F683-M691 HydrophobicContact CD2-SD 3.66Å; F683-M691 HydrophobicContact CG-SD 4.2Å; K687-M691 PolarHBondContact O-N 3.4Å; F688-M691 VanDerWaalsContact CA-CE 3.47Å; F688-M691 HydrophobicContact CB-CE 4.08Å; F688-M691 HydrophobicContact CD1-CE 3.38Å; F688-M691 HydrophobicContact CD2-CE 4.1Å; F688-M691 HydrophobicContact CE1-CE 3.72Å; F688-M691 HydrophobicContact CE2-CE 4.41Å; F688-M691 HydrophobicContact CG-CE 3.58Å; F688-M691 HydrophobicContact CZ-CE 4.23Å; F688-M691 WeakPolarHBondContact O-CB 3.28Å; F688-M691 PolarHBondContact O-N 3.34Å; M691-Q693 VanDerWaalsContact C-N 3.34Å; M691-Q693 PolarHBondContact O-N 3.01Å; M691-S694 WeakPolarHBondContact O-CB 3.09Å; M691-S694 PolarHBondContact O-N 3.18Å; M691-V695 WeakPolarHBondContact O-CG2 3.15Å; M691-V695 PolarHBondContact O-N 3.11Å; M691-L715 HydrophobicContact CB-CD1 3.99Å; M691-L715 HydrophobicContact CE-CD1 4.42Å; M691-L715 HydrophobicContact SD-CD1 4.19Å |
| 692 | L | 92.9 | Very high | 94.4 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 177.9 | 176.5 | 58.3 | 0 | 0 | 0 | 111.8 | F688 L689 S694 V695 K696 L715 L734 E737 M738 L741 | F688-L692 PolarHBondContact O-N 2.87Å; L689-L692 PolarHBondContact O-N 3.3Å; L692-S694 VanDerWaalsContact C-N 3.33Å; L692-S694 PolarHBondContact O-N 3.46Å; L692-V695 PolarHBondContact O-N 2.97Å; L692-K696 HydrophobicContact CD1-CD 4.37Å; L692-K696 HydrophobicContact CD1-CG 4.23Å; L692-K696 HydrophobicContact CG-CD 4.36Å; L692-K696 WeakPolarHBondContact O-CG 3.47Å; L692-K696 PolarHBondContact O-N 3.24Å; L692-L715 HydrophobicContact CB-CD2 4.49Å; L692-L715 HydrophobicContact CD1-CD2 4.42Å; L692-L734 HydrophobicContact CB-CD2 4.38Å; L692-L734 HydrophobicContact CD2-CD2 4.01Å; L692-E737 HydrophobicContact CD1-CB 4.39Å; L692-E737 HydrophobicContact CD2-CB 3.7Å; L692-E737 HydrophobicContact CD2-CG 4.21Å; L692-M738 HydrophobicContact CD1-CE 3.47Å; L692-M738 VanDerWaalsContact CD1-CE 3.47Å; L692-L741 HydrophobicContact CD1-CD1 3.62Å |
| 693 | Q | 94.7 | Very high | 94.3 | Very high | 76 Ų | 76 | 59.7 Ų | 59.7 | 36% | 0.355 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.7 | -44.2 | 176.4 | -178.4 | -177.3 | -49.2 | 0 | 0 | 111.7 | L689 L690 M691 K696 R697 | L689-Q693 WeakPolarHBondContact O-CB 3.44Å; L689-Q693 PolarHBondContact O-N 2.86Å; L690-Q693 PolarHBondContact O-N 3.42Å; M691-Q693 VanDerWaalsContact C-N 3.34Å; M691-Q693 PolarHBondContact O-N 3.01Å; Q693-K696 PolarHBondContact O-N 3.04Å; Q693-R697 VanDerWaalsContact NE2-NH2 3.11Å; Q693-R697 WeakPolarHBondContact O-CG 3.49Å; Q693-R697 PolarHBondContact O-N 3.33Å; Q693-R697 VanDerWaalsContact O-N 3.17Å |
| 694 | S | 96.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 59.4 Ų | 59.4 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 176.7 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | H675 A678 L690 M691 L692 K696 R697 A698 | H675-S694 WeakPolarHBondContact O-CB 3.07Å; A678-S694 WeakPolarHBondContact CB-OG 3.43Å; L690-S694 WeakPolarHBondContact O-CB 3.31Å; L690-S694 PolarHBondContact O-N 3.39Å; L690-S694 PolarHBondContact O-OG 2.63Å; L690-S694 VanDerWaalsContact O-OG 3.09Å; M691-S694 WeakPolarHBondContact O-CB 3.09Å; M691-S694 PolarHBondContact O-N 3.18Å; L692-S694 VanDerWaalsContact C-N 3.33Å; L692-S694 PolarHBondContact O-N 3.46Å; S694-K696 VanDerWaalsContact C-N 3.35Å; S694-K696 PolarHBondContact O-N 3.35Å; S694-R697 PolarHBondContact O-N 3.09Å; S694-A698 PolarHBondContact O-N 3.43Å |
| 695 | V | 96.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.9 | -45.9 | 177.1 | 166.5 | 0 | 0 | 0 | 0 | 111.3 | F679 M691 L692 R697 A698 F699 L708 C711 M712 L715 L741 | F679-V695 HydrophobicContact CD2-CG2 3.59Å; F679-V695 HydrophobicContact CE2-CG2 3.82Å; F679-V695 HydrophobicContact CG-CG2 4.47Å; M691-V695 WeakPolarHBondContact O-CG2 3.15Å; M691-V695 PolarHBondContact O-N 3.11Å; L692-V695 PolarHBondContact O-N 2.97Å; V695-R697 VanDerWaalsContact C-N 3.35Å; V695-R697 PolarHBondContact O-N 2.95Å; V695-A698 PolarHBondContact O-N 3.34Å; V695-F699 WeakPolarHBondContact O-CB 3.48Å; V695-F699 PolarHBondContact O-N 2.9Å; V695-L708 HydrophobicContact CG1-CD1 4.21Å; V695-L708 HydrophobicContact CG2-CD1 4.48Å; V695-C711 HydrophobicContact CG2-CB 4.42Å; V695-M712 HydrophobicContact CG1-CG 3.64Å; V695-M712 HydrophobicContact CG1-SD 4.38Å; V695-L715 HydrophobicContact CB-CD2 4.42Å; V695-L715 HydrophobicContact CG2-CD2 3.98Å; V695-L741 HydrophobicContact CG1-CD1 4.21Å |
| 696 | K | 95.3 | Very high | 94.7 | Very high | 74 Ų | 74 | 56.4 Ų | 56.4 | 32% | 0.322 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.7 | -42.3 | 178.7 | -76.6 | 178.2 | 167.6 | -166.1 | 0 | 113 | L692 Q693 S694 F699 A700 E737 L741 | L692-K696 HydrophobicContact CD1-CD 4.37Å; L692-K696 HydrophobicContact CD1-CG 4.23Å; L692-K696 HydrophobicContact CG-CD 4.36Å; L692-K696 WeakPolarHBondContact O-CG 3.47Å; L692-K696 PolarHBondContact O-N 3.24Å; Q693-K696 PolarHBondContact O-N 3.04Å; S694-K696 VanDerWaalsContact C-N 3.35Å; S694-K696 PolarHBondContact O-N 3.35Å; K696-F699 PolarHBondContact O-N 2.95Å; K696-A700 PolarHBondContact O-N 3.35Å; K696-E737 WeakPolarHBondContact CE-OE2 3.44Å; K696-E737 IonicContact NZ-OE1 3.29Å; K696-E737 IonicContact NZ-OE2 2.92Å; K696-E737 PolarHBondContact NZ-OE2 3.39Å; K696-L741 HydrophobicContact CG-CD1 4.03Å; K696-L741 HydrophobicContact CG-CD2 4.4Å |
| 697 | R | 96.6 | Very high | 95 | Very high | 104 Ų | 104 | 52.1 Ų | 52.1 | 39% | 0.392 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.9 | -40 | 179 | -71 | 174.3 | 177.5 | -176.1 | -2.5 | 111.6 | H675 Q693 S694 V695 | H675-R697 HydrophobicContact CB-CB 4.36Å; H675-R697 WeakPolarHBondContact ND1-CB 3.41Å; Q693-R697 VanDerWaalsContact NE2-NH2 3.11Å; Q693-R697 WeakPolarHBondContact O-CG 3.49Å; Q693-R697 PolarHBondContact O-N 3.33Å; Q693-R697 VanDerWaalsContact O-N 3.17Å; S694-R697 PolarHBondContact O-N 3.09Å; V695-R697 VanDerWaalsContact C-N 3.35Å; V695-R697 PolarHBondContact O-N 2.95Å |
| 698 | A | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.9 | -44.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | I672 H675 L676 S694 V695 A700 I701 D702 L708 | I672-A698 HydrophobicContact CD1-CB 4.23Å; I672-A698 HydrophobicContact CG1-CB 3.78Å; H675-A698 HydrophobicContact CB-CB 3.98Å; L676-A698 HydrophobicContact CD2-CB 4.08Å; S694-A698 PolarHBondContact O-N 3.43Å; V695-A698 PolarHBondContact O-N 3.34Å; A698-A700 VanDerWaalsContact C-N 3.26Å; A698-A700 PolarHBondContact O-N 3.06Å; A698-I701 WeakPolarHBondContact O-CB 3.25Å; A698-I701 PolarHBondContact O-N 3.36Å; A698-D702 PolarHBondContact O-N 2.96Å; A698-D702 VanDerWaalsContact O-N 3.08Å; A698-L708 HydrophobicContact CB-CD1 3.6Å; A698-L708 HydrophobicContact CB-CD2 4.12Å; A698-L708 HydrophobicContact CB-CG 4.37Å |
| 699 | F | 95.8 | Very high | 95.7 | Very high | 75 Ų | 75 | 45.3 Ų | 45.3 | 33% | 0.329 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.6 | -34.4 | 178.7 | -173.8 | -87.2 | 0 | 0 | 0 | 112.7 | V695 K696 I701 S703 L708 M712 L741 | V695-F699 WeakPolarHBondContact O-CB 3.48Å; V695-F699 PolarHBondContact O-N 2.9Å; K696-F699 PolarHBondContact O-N 2.95Å; F699-I701 PolarHBondContact O-N 3.33Å; F699-S703 PolarHBondContact O-N 2.93Å; F699-L708 HydrophobicContact CB-CD2 4.01Å; F699-L708 HydrophobicContact CD2-CD2 4.34Å; F699-M712 HydrophobicContact CD2-CE 4.16Å; F699-M712 HydrophobicContact CD2-SD 3.98Å; F699-M712 HydrophobicContact CE2-CE 4.25Å; F699-M712 HydrophobicContact CE2-SD 4.48Å; F699-L741 HydrophobicContact CD1-CD2 4.23Å; F699-L741 HydrophobicContact CD2-CD2 4.5Å; F699-L741 HydrophobicContact CG-CD2 4.23Å |
| 700 | A | 96.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 42.1 Ų | 42.1 | 72% | 0.719 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | -19.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K696 A698 | K696-A700 PolarHBondContact O-N 3.35Å; A698-A700 VanDerWaalsContact C-N 3.26Å; A698-A700 PolarHBondContact O-N 3.06Å |
| 701 | I | 97 | Very high | 96.2 | Very high | 73 Ų | 73 | 39.3 Ų | 39.3 | 37% | 0.374 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -54.6 | 176.6 | -62.8 | 167.4 | 0 | 0 | 0 | 110 | K669 I672 A698 F699 | K669-I701 WeakPolarHBondContact O-CD1 3.37Å; I672-I701 HydrophobicContact CB-CB 4.48Å; I672-I701 HydrophobicContact CB-CD1 4.36Å; I672-I701 HydrophobicContact CB-CG2 4.18Å; A698-I701 WeakPolarHBondContact O-CB 3.25Å; A698-I701 PolarHBondContact O-N 3.36Å; F699-I701 PolarHBondContact O-N 3.33Å |
| 702 | D | 96.5 | Very high | 96.2 | Very high | 66 Ų | 66 | 39.4 Ų | 39.4 | 35% | 0.353 | 21% | 0.207 | S | C | . | . | trans | -150.9 | 102.8 | 176.9 | 178.8 | 6.1 | 0 | 0 | 0 | 109.9 | I672 A698 S704 H705 L708 | I672-D702 HydrophobicContact CD1-CB 4.05Å; A698-D702 PolarHBondContact O-N 2.96Å; A698-D702 VanDerWaalsContact O-N 3.08Å; D702-S704 PolarHBondContact O-N 3.34Å; D702-S704 PolarHBondContact OD1-N 3.32Å; D702-H705 HydrophobicContact CB-CB 4.22Å; D702-H705 PolarHBondContact O-N 3.5Å; D702-H705 PolarHBondContact OD1-N 2.81Å; D702-L708 VanDerWaalsContact O-CD2 3.28Å; D702-L708 WeakPolarHBondContact O-CD2 3.37Å | ||
| 703 | S | 94.9 | Very high | 96.3 | Very high | 59 Ų | 59 | 39 Ų | 39 | 41% | 0.413 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -18.3 | -179.9 | 61.8 | 0 | 0 | 0 | 0 | 114.5 | F699 | F699-S703 PolarHBondContact O-N 2.93Š|
| 704 | S | 95.5 | Very high | 96.2 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 30% | 0.301 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 3.4 | -177.6 | -59.5 | 0 | 0 | 0 | 0 | 112.9 | D702 F754 H764 | D702-S704 PolarHBondContact O-N 3.34Å; D702-S704 PolarHBondContact OD1-N 3.32Å; S704-F754 WeakPolarHBondContact O-CE2 3.45Å; S704-H764 PolarHBondContact O-CD2 3.15Å; S704-H764 PolarHBondContact O-NE2 3.1Å |
| 705 | H | 97.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 36.3 Ų | 36.3 | 21% | 0.208 | 19% | 0.191 | C | C | . | . | trans | -59.8 | 130.2 | -175.2 | -171.7 | -90.4 | 0 | 0 | 0 | 112.6 | I672 D702 W707 L708 H709 | I672-H705 HydrophobicContact CD1-CB 3.53Å; D702-H705 HydrophobicContact CB-CB 4.22Å; D702-H705 PolarHBondContact O-N 3.5Å; D702-H705 PolarHBondContact OD1-N 2.81Å; H705-W707 PolarHBondContact ND1-N 3Å; H705-W707 PolarHBondContact O-N 3.21Å; H705-L708 HydrophobicContact CB-CB 3.91Å; H705-L708 PolarHBondContact ND1-N 3.48Å; H705-L708 WeakPolarHBondContact O-CB 3.47Å; H705-L708 PolarHBondContact O-N 3.06Å; H705-H709 PolarHBondContact O-N 3.19Å | ||
| 706 | P | 97.4 | Very high | 95.5 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.6 | -49 | -174.3 | -24.8 | 31.5 | 0 | 0 | 0 | 114 | L708 H709 E710 P763 S767 | P706-L708 VanDerWaalsContact C-N 3.31Å; P706-L708 PolarHBondContact O-N 2.98Å; P706-H709 WeakPolarHBondContact O-CB 3.48Å; P706-H709 PolarHBondContact O-N 2.77Å; P706-H709 VanDerWaalsContact O-N 3.17Å; P706-E710 PolarHBondContact O-N 2.85Å; P706-E710 VanDerWaalsContact O-N 3.16Å; P706-P763 HydrophobicContact CG-CB 3.93Å; P706-S767 WeakPolarHBondContact CB-OG 3.37Å; P706-S767 WeakPolarHBondContact O-CB 3.31Å; P706-S767 PolarHBondContact O-OG 3.45Å |
| 707 | W | 97.9 | Very high | 95.1 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.5 | -29.2 | 178.6 | -177.5 | 23.3 | 0 | 0 | 0 | 112.7 | E673 L676 F677 E680 H705 H709 E710 C711 | E673-W707 HydrophobicContact CB-CZ3 4.31Å; E673-W707 HydrophobicContact CG-CZ3 4.39Å; L676-W707 HydrophobicContact CB-CD2 3.84Å; L676-W707 HydrophobicContact CB-CE3 3.76Å; L676-W707 HydrophobicContact CB-CH2 3.71Å; L676-W707 HydrophobicContact CB-CZ2 3.81Å; L676-W707 HydrophobicContact CB-CZ3 3.69Å; L676-W707 HydrophobicContact CD1-CB 4Å; L676-W707 HydrophobicContact CD1-CD2 3.58Å; L676-W707 HydrophobicContact CD1-CE3 3.3Å; L676-W707 HydrophobicContact CD1-CG 3.91Å; L676-W707 HydrophobicContact CD1-CZ3 3.95Å; L676-W707 HydrophobicContact CG-CD2 4.23Å; L676-W707 HydrophobicContact CG-CE3 4.14Å; L676-W707 HydrophobicContact CG-CZ3 4.46Å; F677-W707 AromaticContact CD1-CH2 3.75Å; F677-W707 HydrophobicContact CD1-CH2 3.75Å; F677-W707 HydrophobicContact CD1-CZ2 4.29Å; F677-W707 HydrophobicContact CD2-CH2 4.25Å; F677-W707 AromaticContact CE1-CH2 3.57Å; F677-W707 HydrophobicContact CE1-CH2 3.57Å; F677-W707 HydrophobicContact CE1-CZ2 4.26Å; F677-W707 HydrophobicContact CE2-CH2 4.07Å; F677-W707 HydrophobicContact CE2-CZ3 4.42Å; F677-W707 HydrophobicContact CG-CH2 4.07Å; F677-W707 AromaticContact CZ-CH2 3.72Å; F677-W707 HydrophobicContact CZ-CH2 3.72Å; F677-W707 HydrophobicContact CZ-CZ3 4.28Å; E680-W707 HydrophobicContact CG-CZ2 3.85Å; E680-W707 PolarHBondContact OE1-NE1 3.11Å; H705-W707 PolarHBondContact ND1-N 3Å; H705-W707 PolarHBondContact O-N 3.21Å; W707-H709 VanDerWaalsContact C-N 3.34Å; W707-E710 PolarHBondContact O-N 3.44Å; W707-C711 PolarHBondContact O-N 2.98Å; W707-C711 VanDerWaalsContact O-N 3.12Å; W707-C711 PolarHBondContact O-SG 3Å |
| 708 | L | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -66.1 | -42.7 | 173.3 | 174.6 | 59.6 | 0 | 0 | 0 | 110.1 | I672 L676 V695 A698 F699 D702 H705 P706 E710 C711 M712 | I672-L708 HydrophobicContact CD1-CB 4.47Å; I672-L708 HydrophobicContact CD1-CD2 4.48Å; L676-L708 HydrophobicContact CD2-CB 3.9Å; L676-L708 HydrophobicContact CD2-CD1 3.89Å; V695-L708 HydrophobicContact CG1-CD1 4.21Å; V695-L708 HydrophobicContact CG2-CD1 4.48Å; A698-L708 HydrophobicContact CB-CD1 3.6Å; A698-L708 HydrophobicContact CB-CD2 4.12Å; A698-L708 HydrophobicContact CB-CG 4.37Å; F699-L708 HydrophobicContact CB-CD2 4.01Å; F699-L708 HydrophobicContact CD2-CD2 4.34Å; D702-L708 VanDerWaalsContact O-CD2 3.28Å; D702-L708 WeakPolarHBondContact O-CD2 3.37Å; H705-L708 HydrophobicContact CB-CB 3.91Å; H705-L708 PolarHBondContact ND1-N 3.48Å; H705-L708 WeakPolarHBondContact O-CB 3.47Å; H705-L708 PolarHBondContact O-N 3.06Å; P706-L708 VanDerWaalsContact C-N 3.31Å; P706-L708 PolarHBondContact O-N 2.98Å; L708-E710 VanDerWaalsContact C-N 3.28Å; L708-E710 PolarHBondContact O-N 3.45Å; L708-C711 CarbonylContact O-C 3.27Å; L708-C711 WeakPolarHBondContact O-CA 3.47Å; L708-C711 VanDerWaalsContact O-CB 3.32Å; L708-C711 WeakPolarHBondContact O-CB 3.21Å; L708-C711 PolarHBondContact O-N 3.18Å; L708-M712 HydrophobicContact CD1-CG 4.04Å; L708-M712 HydrophobicContact CD1-SD 4.35Å; L708-M712 HydrophobicContact CD2-SD 4.31Å; L708-M712 HydrophobicContact CG-CG 4.15Å; L708-M712 HydrophobicContact CG-SD 3.95Å; L708-M712 WeakPolarHBondContact O-CB 3.41Å; L708-M712 WeakPolarHBondContact O-CG 3.44Å; L708-M712 PolarHBondContact O-N 3.36Å |
| 709 | H | 96.8 | Very high | 93.4 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.019 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -57.8 | -41.8 | 176.4 | -179.3 | 65.9 | 0 | 0 | 0 | 111.7 | H705 P706 W707 C711 M712 I713 F750 N751 F754 | H705-H709 PolarHBondContact O-N 3.19Å; P706-H709 WeakPolarHBondContact O-CB 3.48Å; P706-H709 PolarHBondContact O-N 2.77Å; P706-H709 VanDerWaalsContact O-N 3.17Å; W707-H709 VanDerWaalsContact C-N 3.34Å; H709-C711 VanDerWaalsContact C-N 3.33Å; H709-C711 PolarHBondContact O-N 2.9Å; H709-M712 WeakPolarHBondContact O-CB 3.36Å; H709-M712 PolarHBondContact O-N 3.47Å; H709-I713 WeakPolarHBondContact O-CG1 3.42Å; H709-I713 PolarHBondContact O-N 3.26Å; H709-F750 AromaticContact CE1-CD1 3.74Å; H709-F750 AromaticContact CE1-CE1 3.74Å; H709-F750 AromaticContact ND1-CE1 3.55Å; H709-N751 PolarHBondContact NE2-OD1 3.36Å; H709-F754 HydrophobicContact CB-CD1 4.48Å; H709-F754 HydrophobicContact CB-CD2 4.22Å; H709-F754 HydrophobicContact CB-CE1 4.08Å; H709-F754 HydrophobicContact CB-CE2 3.79Å; H709-F754 HydrophobicContact CB-CZ 3.7Å; H709-F754 AromaticContact CD2-CD1 3.38Å; H709-F754 WeakPolarHBondContact CD2-CD1 3.23Å; H709-F754 AromaticContact CD2-CE1 3.51Å; H709-F754 AromaticContact CD2-CG 3.82Å; H709-F754 VanDerWaalsContact CE1-CB 3.42Å; H709-F754 WeakPolarHBondContact CE1-CB 3.36Å; H709-F754 AromaticContact CE1-CD1 3.79Å; H709-F754 AromaticContact CE1-CG 3.5Å; H709-F754 VanDerWaalsContact CE1-CG 3.5Å; H709-F754 WeakPolarHBondContact CE1-CG 3.48Å; H709-F754 AromaticContact CG-CD1 3.7Å; H709-F754 AromaticContact CG-CD2 3.83Å; H709-F754 AromaticContact CG-CE1 3.75Å; H709-F754 AromaticContact CG-CE2 3.87Å; H709-F754 AromaticContact CG-CG 3.73Å; H709-F754 AromaticContact CG-CZ 3.81Å; H709-F754 AromaticContact ND1-CD1 3.99Å; H709-F754 AromaticContact ND1-CD2 3.69Å; H709-F754 AromaticContact ND1-CG 3.57Å; H709-F754 AromaticContact NE2-CD1 3.42Å; H709-F754 WeakPolarHBondContact NE2-CD1 3.2Å; H709-F754 AromaticContact NE2-CG 3.66Å |
| 710 | E | 96.8 | Very high | 92.3 | Very high | 26 Ų | 26 | 32.1 Ų | 32.1 | 12% | 0.121 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 173.1 | -60.6 | -177.8 | -154.1 | 0 | 0 | 112.7 | P706 W707 L708 R714 S767 M771 | P706-E710 PolarHBondContact O-N 2.85Å; P706-E710 VanDerWaalsContact O-N 3.16Å; W707-E710 PolarHBondContact O-N 3.44Å; L708-E710 VanDerWaalsContact C-N 3.28Å; L708-E710 PolarHBondContact O-N 3.45Å; E710-R714 WeakPolarHBondContact O-CB 3.23Å; E710-R714 WeakPolarHBondContact O-CG 3.44Å; E710-R714 PolarHBondContact O-N 3.45Å; E710-R714 VanDerWaalsContact O-N 3.11Å; E710-R714 PolarHBondContact O-NE 3.26Å; E710-S767 WeakPolarHBondContact OE1-CA 3.46Å; E710-S767 VanDerWaalsContact OE1-CB 3.26Å; E710-S767 WeakPolarHBondContact OE1-CB 3.47Å; E710-S767 PolarHBondContact OE1-OG 3.31Å; E710-M771 HydrophobicContact CB-CE 3.99Å; E710-M771 HydrophobicContact CB-SD 4.08Å; E710-M771 HydrophobicContact CG-CE 3.88Å; E710-M771 HydrophobicContact CG-CG 4.23Å; E710-M771 HydrophobicContact CG-SD 4.27Å |
| 711 | C | 96.4 | Very high | 91 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -43.2 | 174.8 | -61.5 | 0 | 0 | 0 | 0 | 111.6 | F679 V695 W707 L708 H709 R714 L715 | F679-C711 HydrophobicContact CD1-CB 3.48Å; F679-C711 VanDerWaalsContact CD1-CB 3.48Å; F679-C711 WeakPolarHBondContact CD1-SG 3.36Å; F679-C711 HydrophobicContact CD2-CB 4.16Å; F679-C711 HydrophobicContact CE1-CB 3.49Å; F679-C711 VanDerWaalsContact CE1-CB 3.49Å; F679-C711 HydrophobicContact CE2-CB 4.15Å; F679-C711 HydrophobicContact CG-CB 3.83Å; F679-C711 HydrophobicContact CZ-CB 3.83Å; F679-C711 WeakPolarHBondContact CZ-O 3.26Å; V695-C711 HydrophobicContact CG2-CB 4.42Å; W707-C711 PolarHBondContact O-N 2.98Å; W707-C711 VanDerWaalsContact O-N 3.12Å; W707-C711 PolarHBondContact O-SG 3Å; L708-C711 CarbonylContact O-C 3.27Å; L708-C711 WeakPolarHBondContact O-CA 3.47Å; L708-C711 VanDerWaalsContact O-CB 3.32Å; L708-C711 WeakPolarHBondContact O-CB 3.21Å; L708-C711 PolarHBondContact O-N 3.18Å; H709-C711 VanDerWaalsContact C-N 3.33Å; H709-C711 PolarHBondContact O-N 2.9Å; C711-R714 PolarHBondContact O-N 3.48Å; C711-R714 PolarHBondContact SG-NH2 3.03Å; C711-R714 VanDerWaalsContact SG-NH2 3.39Å; C711-L715 VanDerWaalsContact O-CB 3.32Å; C711-L715 WeakPolarHBondContact O-CB 3.45Å; C711-L715 PolarHBondContact O-N 3.06Å |
| 712 | M | 94.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -62.3 | -46 | 179.6 | -78.8 | -174.5 | 74.2 | 0 | 0 | 111.6 | V695 F699 L708 H709 L715 F716 L741 F742 F750 | V695-M712 HydrophobicContact CG1-CG 3.64Å; V695-M712 HydrophobicContact CG1-SD 4.38Å; F699-M712 HydrophobicContact CD2-CE 4.16Å; F699-M712 HydrophobicContact CD2-SD 3.98Å; F699-M712 HydrophobicContact CE2-CE 4.25Å; F699-M712 HydrophobicContact CE2-SD 4.48Å; L708-M712 HydrophobicContact CD1-CG 4.04Å; L708-M712 HydrophobicContact CD1-SD 4.35Å; L708-M712 HydrophobicContact CD2-SD 4.31Å; L708-M712 HydrophobicContact CG-CG 4.15Å; L708-M712 HydrophobicContact CG-SD 3.95Å; L708-M712 WeakPolarHBondContact O-CB 3.41Å; L708-M712 WeakPolarHBondContact O-CG 3.44Å; L708-M712 PolarHBondContact O-N 3.36Å; H709-M712 WeakPolarHBondContact O-CB 3.36Å; H709-M712 PolarHBondContact O-N 3.47Å; M712-L715 PolarHBondContact O-N 3.06Å; M712-F716 VanDerWaalsContact O-CB 3.3Å; M712-F716 WeakPolarHBondContact O-CB 3.45Å; M712-F716 PolarHBondContact O-N 3.26Å; M712-L741 HydrophobicContact CE-CB 4.37Å; M712-F742 HydrophobicContact CB-CE1 3.61Å; M712-F742 HydrophobicContact CB-CZ 3.74Å; M712-F742 HydrophobicContact CE-CD1 3.97Å; M712-F742 HydrophobicContact CE-CE1 3.56Å; M712-F742 HydrophobicContact CE-CE2 4.28Å; M712-F742 HydrophobicContact CE-CZ 3.71Å; M712-F742 HydrophobicContact CG-CE1 4.26Å; M712-F742 HydrophobicContact CG-CZ 4.07Å; M712-F742 WeakPolarHBondContact O-CE1 3.49Å; M712-F742 VanDerWaalsContact O-CZ 3.32Å; M712-F742 WeakPolarHBondContact O-CZ 3.43Å; M712-F750 HydrophobicContact CE-CE1 4.12Å; M712-F750 HydrophobicContact CE-CZ 3.68Å |
| 713 | I | 93.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 176.2 | -68.4 | -67.9 | 0 | 0 | 0 | 111.5 | H709 F716 S717 P747 F750 N751 M771 Y774 L775 | H709-I713 WeakPolarHBondContact O-CG1 3.42Å; H709-I713 PolarHBondContact O-N 3.26Å; I713-F716 PolarHBondContact O-N 2.91Å; I713-S717 VanDerWaalsContact O-CB 3.3Å; I713-S717 WeakPolarHBondContact O-CB 3.37Å; I713-S717 PolarHBondContact O-N 3.41Å; I713-P747 HydrophobicContact CD1-CB 4.45Å; I713-P747 WeakPolarHBondContact CD1-O 3.36Å; I713-F750 HydrophobicContact CD1-CB 4.41Å; I713-F750 HydrophobicContact CD1-CD1 3.73Å; I713-N751 HydrophobicContact CD1-CB 4.05Å; I713-M771 HydrophobicContact CB-CB 4.49Å; I713-M771 HydrophobicContact CB-CG 3.99Å; I713-M771 HydrophobicContact CB-SD 3.74Å; I713-M771 HydrophobicContact CG1-CB 4.3Å; I713-M771 HydrophobicContact CG1-CG 4.01Å; I713-M771 HydrophobicContact CG1-SD 4.43Å; I713-M771 HydrophobicContact CG2-CB 4.16Å; I713-M771 HydrophobicContact CG2-CG 4.07Å; I713-M771 HydrophobicContact CG2-SD 3.66Å; I713-Y774 HydrophobicContact CG2-CD1 4.47Å; I713-L775 HydrophobicContact CG2-CD1 3.89Å; I713-L775 HydrophobicContact CG2-CD2 3.91Å; I713-L775 HydrophobicContact CG2-CG 3.96Å |
| 714 | R | 93.3 | Very high | 86 | Confident | 25 Ų | 25 | 37.6 Ų | 37.6 | 9% | 0.094 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | 177.7 | -75.8 | -178.6 | -67.9 | 158.9 | -2.4 | 112.1 | E680 F683 E710 C711 F716 T718 Y774 | E680-R714 IonicContact OE1-CZ 2.94Å; E680-R714 IonicContact OE1-NH1 3.82Å; E680-R714 PolarHBondContact OE1-NH1 2.73Å; E680-R714 IonicContact OE1-NH2 2.78Å; E680-R714 PolarHBondContact OE1-NH2 3.13Å; E680-R714 IonicContact OE2-CZ 3.99Å; E680-R714 IonicContact OE2-NH1 3.7Å; E680-R714 PolarHBondContact OE2-NH1 3.12Å; E680-R714 IonicContact OE2-NH2 3.13Å; F683-R714 HydrophobicContact CE2-CB 4.1Å; F683-R714 HydrophobicContact CZ-CB 4.48Å; E710-R714 WeakPolarHBondContact O-CB 3.23Å; E710-R714 WeakPolarHBondContact O-CG 3.44Å; E710-R714 PolarHBondContact O-N 3.45Å; E710-R714 VanDerWaalsContact O-N 3.11Å; E710-R714 PolarHBondContact O-NE 3.26Å; C711-R714 PolarHBondContact O-N 3.48Å; C711-R714 PolarHBondContact SG-NH2 3.03Å; C711-R714 VanDerWaalsContact SG-NH2 3.39Å; R714-F716 VanDerWaalsContact C-N 3.33Å; R714-F716 PolarHBondContact O-N 3.38Å; R714-T718 WeakPolarHBondContact O-CB 3.16Å; R714-T718 WeakPolarHBondContact O-CG2 3.48Å; R714-T718 PolarHBondContact O-N 3.36Å; R714-T718 PolarHBondContact O-OG1 2.77Å; R714-Y774 HydrophobicContact CG-CE1 4.06Å; R714-Y774 HydrophobicContact CG-CE2 4.44Å |
| 715 | L | 91.1 | Very high | 84.8 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 174.2 | -179.4 | 58.3 | 0 | 0 | 0 | 111 | F679 F688 M691 L692 V695 C711 M712 T718 A719 M738 | F679-L715 HydrophobicContact CE2-CB 3.93Å; F679-L715 HydrophobicContact CE2-CD2 4.47Å; F679-L715 HydrophobicContact CZ-CB 4.15Å; F688-L715 HydrophobicContact CD1-CD1 4.35Å; M691-L715 HydrophobicContact CB-CD1 3.99Å; M691-L715 HydrophobicContact CE-CD1 4.42Å; M691-L715 HydrophobicContact SD-CD1 4.19Å; L692-L715 HydrophobicContact CB-CD2 4.49Å; L692-L715 HydrophobicContact CD1-CD2 4.42Å; V695-L715 HydrophobicContact CB-CD2 4.42Å; V695-L715 HydrophobicContact CG2-CD2 3.98Å; C711-L715 VanDerWaalsContact O-CB 3.32Å; C711-L715 WeakPolarHBondContact O-CB 3.45Å; C711-L715 PolarHBondContact O-N 3.06Å; M712-L715 PolarHBondContact O-N 3.06Å; L715-T718 PolarHBondContact O-OG1 2.91Å; L715-T718 VanDerWaalsContact O-OG1 3.14Å; L715-A719 WeakPolarHBondContact O-CB 3.43Å; L715-A719 PolarHBondContact O-N 2.9Å; L715-M738 HydrophobicContact CD2-CE 3.78Å; L715-M738 HydrophobicContact CD2-SD 4.48Å; L715-M738 HydrophobicContact CG-CE 4.27Å; L715-M738 HydrophobicContact CG-SD 4.38Å |
| 716 | F | 87.1 | Confident | 83.6 | Confident | 21 Ų | 21 | 41.8 Ų | 41.8 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -68.8 | -43.1 | -177.8 | -166.8 | -172.2 | 0 | 0 | 0 | 111.5 | M712 I713 R714 A719 V720 F742 T745 P747 | M712-F716 VanDerWaalsContact O-CB 3.3Å; M712-F716 WeakPolarHBondContact O-CB 3.45Å; M712-F716 PolarHBondContact O-N 3.26Å; I713-F716 PolarHBondContact O-N 2.91Å; R714-F716 VanDerWaalsContact C-N 3.33Å; R714-F716 PolarHBondContact O-N 3.38Å; F716-A719 PolarHBondContact O-N 3.48Å; F716-V720 HydrophobicContact CD2-CG2 3.73Å; F716-V720 HydrophobicContact CE2-CG2 3.63Å; F716-V720 WeakPolarHBondContact O-CB 3.47Å; F716-V720 VanDerWaalsContact O-CG2 3.24Å; F716-V720 WeakPolarHBondContact O-CG2 3.16Å; F716-V720 PolarHBondContact O-N 3.37Å; F716-F742 HydrophobicContact CB-CE1 4.05Å; F716-F742 HydrophobicContact CB-CZ 4.15Å; F716-F742 HydrophobicContact CD1-CB 4.35Å; F716-F742 AromaticContact CD1-CD1 3.74Å; F716-F742 HydrophobicContact CD1-CD1 3.74Å; F716-F742 HydrophobicContact CD1-CE1 4.1Å; F716-F742 HydrophobicContact CD1-CG 4Å; F716-F742 HydrophobicContact CE1-CB 4.09Å; F716-F742 HydrophobicContact CE1-CD1 4.29Å; F716-F742 HydrophobicContact CE1-CG 4.24Å; F716-F742 HydrophobicContact CG-CD1 4.37Å; F716-F742 HydrophobicContact CG-CE1 4.39Å; F716-T745 HydrophobicContact CE1-CG2 4.16Å; F716-T745 VanDerWaalsContact CZ-O 3.3Å; F716-T745 WeakPolarHBondContact CZ-O 3.44Å; F716-P747 HydrophobicContact CB-CG 4.3Å; F716-P747 HydrophobicContact CD1-CB 4.15Å; F716-P747 HydrophobicContact CD1-CG 3.7Å; F716-P747 HydrophobicContact CD2-CG 4.23Å; F716-P747 HydrophobicContact CE1-CG 4.04Å; F716-P747 HydrophobicContact CG-CG 3.8Å; F716-P747 HydrophobicContact CZ-CG 4.45Å |
| 717 | S | 86.4 | Confident | 83 | Confident | 22 Ų | 22 | 44.9 Ų | 44.9 | 15% | 0.154 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.8 | -52.1 | 177 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | I713 A719 V720 C721 | I713-S717 VanDerWaalsContact O-CB 3.3Å; I713-S717 WeakPolarHBondContact O-CB 3.37Å; I713-S717 PolarHBondContact O-N 3.41Å; S717-A719 PolarHBondContact O-N 2.96Å; S717-V720 PolarHBondContact O-N 3.47Å; S717-V720 VanDerWaalsContact O-N 3.13Å; S717-C721 WeakPolarHBondContact O-CB 3.38Å; S717-C721 PolarHBondContact O-N 3.39Å; S717-C721 PolarHBondContact O-SG 3.28Å |
| 718 | T | 82.9 | Confident | 82.1 | Confident | 24 Ų | 24 | 47.6 Ų | 47.6 | 15% | 0.147 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.3 | -40.8 | 178.2 | 52 | 0 | 0 | 0 | 0 | 112.1 | F683 R714 L715 V720 C721 E722 | F683-T718 HydrophobicContact CE2-CG2 3.82Å; F683-T718 HydrophobicContact CZ-CG2 4.24Å; R714-T718 WeakPolarHBondContact O-CB 3.16Å; R714-T718 WeakPolarHBondContact O-CG2 3.48Å; R714-T718 PolarHBondContact O-N 3.36Å; R714-T718 PolarHBondContact O-OG1 2.77Å; L715-T718 PolarHBondContact O-OG1 2.91Å; L715-T718 VanDerWaalsContact O-OG1 3.14Å; T718-V720 PolarHBondContact O-N 3.48Å; T718-C721 PolarHBondContact O-N 2.99Å; T718-E722 VanDerWaalsContact O-CB 3.31Å; T718-E722 WeakPolarHBondContact O-CB 3.44Å; T718-E722 PolarHBondContact O-N 2.9Å |
| 719 | A | 76.4 | Confident | 81.5 | Confident | 16 Ų | 16 | 52.8 Ų | 52.8 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.1 | -29 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L715 F716 S717 S723 | L715-A719 WeakPolarHBondContact O-CB 3.43Å; L715-A719 PolarHBondContact O-N 2.9Å; F716-A719 PolarHBondContact O-N 3.48Å; S717-A719 PolarHBondContact O-N 2.96Å; A719-S723 WeakPolarHBondContact O-CB 3.43Å |
| 720 | V | 72.7 | Confident | 80.8 | Confident | 83 Ų | 83 | 54.1 Ų | 54.1 | 50% | 0.503 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -79.3 | -44.9 | 175.3 | 170.9 | 0 | 0 | 0 | 0 | 111 | F716 S717 T718 S723 | F716-V720 HydrophobicContact CD2-CG2 3.73Å; F716-V720 HydrophobicContact CE2-CG2 3.63Å; F716-V720 WeakPolarHBondContact O-CB 3.47Å; F716-V720 VanDerWaalsContact O-CG2 3.24Å; F716-V720 WeakPolarHBondContact O-CG2 3.16Å; F716-V720 PolarHBondContact O-N 3.37Å; S717-V720 PolarHBondContact O-N 3.47Å; S717-V720 VanDerWaalsContact O-N 3.13Å; T718-V720 PolarHBondContact O-N 3.48Å; V720-S723 PolarHBondContact O-OG 2.97Å |
| 721 | C | 68.5 | Low | 80 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.7 | -49.8 | -177.8 | -69.8 | 0 | 0 | 0 | 0 | 113.2 | S717 T718 | S717-C721 WeakPolarHBondContact O-CB 3.38Å; S717-C721 PolarHBondContact O-N 3.39Å; S717-C721 PolarHBondContact O-SG 3.28Å; T718-C721 PolarHBondContact O-N 2.99Å |
| 722 | E | 65.1 | Low | 79.4 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -92.5 | 1.2 | -172.6 | -63 | -58.4 | 142.6 | 0 | 0 | 113.2 | T718 K724 D725 L726 | T718-E722 VanDerWaalsContact O-CB 3.31Å; T718-E722 WeakPolarHBondContact O-CB 3.44Å; T718-E722 PolarHBondContact O-N 2.9Å; E722-K724 PolarHBondContact O-N 2.91Å; E722-D725 PolarHBondContact O-N 3.19Å; E722-L726 WeakPolarHBondContact O-CD1 3.3Å |
| 723 | S | 60.4 | Low | 79 | Confident | 31 Ų | 31 | 63.2 Ų | 63.2 | 22% | 0.217 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -52 | -32 | -174.5 | 53.9 | 0 | 0 | 0 | 0 | 113.4 | A719 V720 D725 L726 R731 | A719-S723 WeakPolarHBondContact O-CB 3.43Å; V720-S723 PolarHBondContact O-OG 2.97Å; S723-D725 VanDerWaalsContact C-N 3.27Å; S723-D725 PolarHBondContact O-N 2.99Å; S723-L726 PolarHBondContact O-N 3.42Å; S723-R731 VanDerWaalsContact CB-NH1 3.33Å; S723-R731 PolarHBondContact O-NH1 3.25Å; S723-R731 PolarHBondContact O-NH2 3.42Å; S723-R731 PolarHBondContact OG-NH1 3.46Å |
| 724 | K | 57.9 | Low | 78.3 | Confident | 173 Ų | 173 | 63.8 Ų | 63.8 | 75% | 0.752 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -58.1 | -33.7 | -172.7 | -75.3 | -174.3 | 179 | 178.4 | 0 | 113.7 | E722 R731 | E722-K724 PolarHBondContact O-N 2.91Å; K724-R731 PolarHBondContact O-NH2 3.48Å |
| 725 | D | 69.9 | Low | 77.6 | Confident | 149 Ų | 149 | 70.4 Ų | 70.4 | 80% | 0.797 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -94.7 | -2.1 | -176.4 | -74.3 | -5.7 | 0 | 0 | 0 | 114.2 | E722 S723 | E722-D725 PolarHBondContact O-N 3.19Å; S723-D725 VanDerWaalsContact C-N 3.27Å; S723-D725 PolarHBondContact O-N 2.99Å |
| 726 | L | 74.1 | Confident | 77.2 | Confident | 26 Ų | 26 | 75.8 Ų | 75.8 | 14% | 0.136 | 41% | 0.407 | C | S | . | . | S | Bend | trans | -82 | 144 | 174.2 | -78.1 | 102.7 | 0 | 0 | 0 | 112.3 | F688 E722 S723 D728 V730 R731 L734 | F688-L726 HydrophobicContact CB-CD2 4.17Å; F688-L726 HydrophobicContact CD2-CD1 4.37Å; F688-L726 HydrophobicContact CD2-CD2 3.68Å; F688-L726 HydrophobicContact CD2-CG 4.39Å; F688-L726 HydrophobicContact CE2-CD1 4.05Å; F688-L726 HydrophobicContact CE2-CD2 4.19Å; F688-L726 HydrophobicContact CE2-CG 4.45Å; F688-L726 HydrophobicContact CG-CD2 3.9Å; F688-L726 HydrophobicContact CZ-CD1 4.23Å; E722-L726 WeakPolarHBondContact O-CD1 3.3Å; S723-L726 PolarHBondContact O-N 3.42Å; L726-D728 PolarHBondContact O-N 3.43Å; L726-V730 HydrophobicContact CD2-CG1 3.74Å; L726-R731 PolarHBondContact O-NH2 2.85Å; L726-L734 HydrophobicContact CD2-CD1 3.83Å |
| 727 | P | 82.9 | Confident | 77.1 | Confident | 83 Ų | 83 | 76.1 Ų | 76.1 | 54% | 0.539 | 41% | 0.409 | S | S | . | . | trans | -53.6 | 138.6 | 171.8 | -24.4 | 32.8 | 0 | 0 | 0 | 112 | T729 V730 R731 | P727-T729 PolarHBondContact O-N 3.34Å; P727-T729 VanDerWaalsContact O-N 3.15Å; P727-V730 HydrophobicContact CB-CG2 4.25Å; P727-V730 HydrophobicContact CG-CG2 4.44Å; P727-V730 WeakPolarHBondContact O-CA 3.41Å; P727-V730 WeakPolarHBondContact O-CB 3.45Å; P727-V730 PolarHBondContact O-N 2.81Å; P727-R731 PolarHBondContact O-N 3.01Å | ||
| 728 | D | 80.4 | Confident | 76.6 | Confident | 117 Ų | 117 | 75.7 Ų | 75.7 | 63% | 0.626 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -56.6 | -37.1 | -174.2 | -74.1 | -32.6 | 0 | 0 | 0 | 113.2 | L726 V730 R731 T732 | L726-D728 PolarHBondContact O-N 3.43Å; D728-V730 VanDerWaalsContact C-N 3.3Å; D728-V730 PolarHBondContact O-N 3.45Å; D728-R731 WeakPolarHBondContact O-CB 3.19Å; D728-R731 PolarHBondContact O-N 3.39Å; D728-R731 IonicContact OD1-NE 3.42Å; D728-R731 IonicContact OD1-NH2 3.67Å; D728-T732 WeakPolarHBondContact O-CG2 3.48Å; D728-T732 PolarHBondContact O-N 2.94Å; D728-T732 PolarHBondContact O-OG1 2.65Å |
| 729 | T | 85 | Confident | 76.6 | Confident | 110 Ų | 110 | 79 Ų | 79 | 68% | 0.675 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.7 | -37.9 | 176 | -22.3 | 0 | 0 | 0 | 0 | 112.5 | P727 T732 V733 | P727-T729 PolarHBondContact O-N 3.34Å; P727-T729 VanDerWaalsContact O-N 3.15Å; T729-T732 PolarHBondContact O-OG1 2.86Å; T729-V733 WeakPolarHBondContact O-CG2 3.26Å; T729-V733 PolarHBondContact O-N 2.9Å |
| 730 | V | 82.6 | Confident | 77 | Confident | 32 Ų | 32 | 86.6 Ų | 86.6 | 19% | 0.194 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -73.7 | -40.6 | 177.2 | 178.7 | 0 | 0 | 0 | 0 | 109.5 | L689 L726 P727 D728 T732 V733 L734 | L689-V730 HydrophobicContact CD2-CG1 4.06Å; L689-V730 HydrophobicContact CG-CG1 4.2Å; L726-V730 HydrophobicContact CD2-CG1 3.74Å; P727-V730 HydrophobicContact CB-CG2 4.25Å; P727-V730 HydrophobicContact CG-CG2 4.44Å; P727-V730 WeakPolarHBondContact O-CA 3.41Å; P727-V730 WeakPolarHBondContact O-CB 3.45Å; P727-V730 PolarHBondContact O-N 2.81Å; D728-V730 VanDerWaalsContact C-N 3.3Å; D728-V730 PolarHBondContact O-N 3.45Å; V730-T732 PolarHBondContact O-N 2.82Å; V730-V733 PolarHBondContact O-N 3.2Å; V730-L734 HydrophobicContact CG1-CD1 3.79Å; V730-L734 HydrophobicContact CG1-CG 4.19Å; V730-L734 WeakPolarHBondContact O-CB 3.39Å; V730-L734 VanDerWaalsContact O-CG 3.3Å; V730-L734 WeakPolarHBondContact O-CG 3.25Å; V730-L734 PolarHBondContact O-N 3.39Å |
| 731 | R | 79.4 | Confident | 77.3 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 26% | 0.26 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.4 | -167.7 | -161.6 | -57.6 | -100.5 | -4.3 | 112.1 | S723 K724 L726 P727 D728 L734 K735 | S723-R731 VanDerWaalsContact CB-NH1 3.33Å; S723-R731 PolarHBondContact O-NH1 3.25Å; S723-R731 PolarHBondContact O-NH2 3.42Å; S723-R731 PolarHBondContact OG-NH1 3.46Å; K724-R731 PolarHBondContact O-NH2 3.48Å; L726-R731 PolarHBondContact O-NH2 2.85Å; P727-R731 PolarHBondContact O-N 3.01Å; D728-R731 WeakPolarHBondContact O-CB 3.19Å; D728-R731 PolarHBondContact O-N 3.39Å; D728-R731 IonicContact OD1-NE 3.42Å; D728-R731 IonicContact OD1-NH2 3.67Å; R731-L734 PolarHBondContact O-N 2.91Å; R731-K735 VanDerWaalsContact O-CB 3.28Å; R731-K735 WeakPolarHBondContact O-CB 3.38Å; R731-K735 PolarHBondContact O-N 3.03Å |
| 732 | T | 83.5 | Confident | 77.8 | Confident | 86 Ų | 86 | 80.2 Ų | 80.2 | 53% | 0.528 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -63.9 | -44.7 | 178.2 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | D728 T729 V730 K735 Q736 | D728-T732 WeakPolarHBondContact O-CG2 3.48Å; D728-T732 PolarHBondContact O-N 2.94Å; D728-T732 PolarHBondContact O-OG1 2.65Å; T729-T732 PolarHBondContact O-OG1 2.86Å; V730-T732 PolarHBondContact O-N 2.82Å; T732-K735 PolarHBondContact O-N 3.42Å; T732-Q736 WeakPolarHBondContact O-CB 3.42Å; T732-Q736 PolarHBondContact O-N 3.44Å |
| 733 | V | 85.2 | Confident | 78.6 | Confident | 65 Ų | 65 | 76.7 Ų | 76.7 | 39% | 0.394 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -46.7 | 178.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L689 T729 V730 Q736 E737 | L689-V733 HydrophobicContact CD2-CG1 4.49Å; T729-V733 WeakPolarHBondContact O-CG2 3.26Å; T729-V733 PolarHBondContact O-N 2.9Å; V730-V733 PolarHBondContact O-N 3.2Å; V733-Q736 PolarHBondContact O-N 3.41Å; V733-E737 WeakPolarHBondContact O-CB 3.27Å; V733-E737 WeakPolarHBondContact O-CG 3.27Å; V733-E737 PolarHBondContact O-N 3.4Å |
| 734 | L | 80.6 | Confident | 79.4 | Confident | 11 Ų | 11 | 80.2 Ų | 80.2 | 6% | 0.058 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 175.8 | -73.7 | 171 | 0 | 0 | 0 | 110.2 | F688 L692 L726 V730 R731 Q736 E737 M738 | F688-L734 HydrophobicContact CB-CD1 4.16Å; F688-L734 HydrophobicContact CB-CD2 4.47Å; L692-L734 HydrophobicContact CB-CD2 4.38Å; L692-L734 HydrophobicContact CD2-CD2 4.01Å; L726-L734 HydrophobicContact CD2-CD1 3.83Å; V730-L734 HydrophobicContact CG1-CD1 3.79Å; V730-L734 HydrophobicContact CG1-CG 4.19Å; V730-L734 WeakPolarHBondContact O-CB 3.39Å; V730-L734 VanDerWaalsContact O-CG 3.3Å; V730-L734 WeakPolarHBondContact O-CG 3.25Å; V730-L734 PolarHBondContact O-N 3.39Å; R731-L734 PolarHBondContact O-N 2.91Å; L734-Q736 VanDerWaalsContact C-N 3.34Å; L734-Q736 PolarHBondContact O-N 3.37Å; L734-E737 PolarHBondContact O-N 3.12Å; L734-M738 VanDerWaalsContact O-CB 3.27Å; L734-M738 WeakPolarHBondContact O-CB 3.17Å; L734-M738 WeakPolarHBondContact O-CG 3.28Å; L734-M738 PolarHBondContact O-N 3.14Å |
| 735 | K | 76.9 | Confident | 80.7 | Confident | 165 Ų | 165 | 74.3 Ų | 74.3 | 72% | 0.717 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.8 | -41.6 | -178.3 | -169.8 | 173.1 | -177.6 | 179.1 | 0 | 112.7 | R731 T732 N739 | R731-K735 VanDerWaalsContact O-CB 3.28Å; R731-K735 WeakPolarHBondContact O-CB 3.38Å; R731-K735 PolarHBondContact O-N 3.03Å; T732-K735 PolarHBondContact O-N 3.42Å; K735-N739 PolarHBondContact O-N 2.95Å; K735-N739 VanDerWaalsContact O-N 3.08Å |
| 736 | Q | 83.9 | Confident | 81.5 | Confident | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.9 | -46.1 | 177.3 | -178 | 179.1 | -2.3 | 0 | 0 | 112 | T732 V733 L734 N739 R740 | T732-Q736 WeakPolarHBondContact O-CB 3.42Å; T732-Q736 PolarHBondContact O-N 3.44Å; V733-Q736 PolarHBondContact O-N 3.41Å; L734-Q736 VanDerWaalsContact C-N 3.34Å; L734-Q736 PolarHBondContact O-N 3.37Å; Q736-N739 PolarHBondContact O-N 2.95Å; Q736-R740 PolarHBondContact O-N 3.48Å |
| 737 | E | 83.8 | Confident | 82.2 | Confident | 28 Ų | 28 | 70.3 Ų | 70.3 | 13% | 0.131 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -76.4 | -31.6 | -178.4 | -71.2 | -61 | 159.9 | 0 | 0 | 113 | L692 K696 V733 L734 N739 R740 L741 | L692-E737 HydrophobicContact CD1-CB 4.39Å; L692-E737 HydrophobicContact CD2-CB 3.7Å; L692-E737 HydrophobicContact CD2-CG 4.21Å; K696-E737 WeakPolarHBondContact CE-OE2 3.44Å; K696-E737 IonicContact NZ-OE1 3.29Å; K696-E737 IonicContact NZ-OE2 2.92Å; K696-E737 PolarHBondContact NZ-OE2 3.39Å; V733-E737 WeakPolarHBondContact O-CB 3.27Å; V733-E737 WeakPolarHBondContact O-CG 3.27Å; V733-E737 PolarHBondContact O-N 3.4Å; L734-E737 PolarHBondContact O-N 3.12Å; E737-N739 VanDerWaalsContact C-N 3.3Å; E737-N739 PolarHBondContact O-N 3.25Å; E737-R740 WeakPolarHBondContact O-CB 3.46Å; E737-R740 PolarHBondContact O-N 2.94Å; E737-R740 IonicContact OE1-CZ 2.79Å; E737-R740 IonicContact OE1-NH1 2.7Å; E737-R740 PolarHBondContact OE1-NH1 2.87Å; E737-L741 PolarHBondContact O-N 2.95Å |
| 738 | M | 77.6 | Confident | 82.6 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 6% | 0.064 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.9 | -43.3 | 168.5 | -69.2 | -65.7 | 94.3 | 0 | 0 | 110.2 | L692 L715 L734 R740 L741 F742 | L692-M738 HydrophobicContact CD1-CE 3.47Å; L692-M738 VanDerWaalsContact CD1-CE 3.47Å; L715-M738 HydrophobicContact CD2-CE 3.78Å; L715-M738 HydrophobicContact CD2-SD 4.48Å; L715-M738 HydrophobicContact CG-CE 4.27Å; L715-M738 HydrophobicContact CG-SD 4.38Å; L734-M738 VanDerWaalsContact O-CB 3.27Å; L734-M738 WeakPolarHBondContact O-CB 3.17Å; L734-M738 WeakPolarHBondContact O-CG 3.28Å; L734-M738 PolarHBondContact O-N 3.14Å; M738-R740 PolarHBondContact O-N 2.97Å; M738-L741 HydrophobicContact CE-CD1 4.24Å; M738-L741 PolarHBondContact O-N 2.88Å; M738-F742 HydrophobicContact CB-CD2 4.17Å; M738-F742 HydrophobicContact CE-CD2 4.2Å; M738-F742 HydrophobicContact CE-CE2 3.53Å; M738-F742 WeakPolarHBondContact O-CB 3.39Å; M738-F742 VanDerWaalsContact O-CD2 3.3Å; M738-F742 WeakPolarHBondContact O-CD2 3.46Å; M738-F742 PolarHBondContact O-N 3.34Å; M738-F742 HydrophobicContact SD-CD2 3.73Å; M738-F742 HydrophobicContact SD-CE2 3.31Å; M738-F742 WeakPolarHBondContact SD-CE2 3.09Å; M738-F742 HydrophobicContact SD-CZ 4.2Å |
| 739 | N | 82.1 | Confident | 83.1 | Confident | 94 Ų | 94 | 69.7 Ų | 69.7 | 50% | 0.503 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -64.2 | -28.6 | 177.6 | -159.2 | 34.1 | 0 | 0 | 0 | 112.7 | K735 Q736 E737 G743 A744 | K735-N739 PolarHBondContact O-N 2.95Å; K735-N739 VanDerWaalsContact O-N 3.08Å; Q736-N739 PolarHBondContact O-N 2.95Å; E737-N739 VanDerWaalsContact C-N 3.3Å; E737-N739 PolarHBondContact O-N 3.25Å; N739-G743 WeakPolarHBondContact O-CA 3.44Å; N739-G743 PolarHBondContact O-N 3.3Å; N739-G743 VanDerWaalsContact O-N 3.08Å; N739-G743 PolarHBondContact OD1-O 3.13Å; N739-A744 PolarHBondContact OD1-N 3.34Å |
| 740 | R | 83.9 | Confident | 83.4 | Confident | 174 Ų | 174 | 65.9 Ų | 65.9 | 66% | 0.657 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -73.2 | -40.1 | 174 | -73.1 | 179.9 | 169 | 172.8 | -8.1 | 113.1 | Q736 E737 M738 | Q736-R740 PolarHBondContact O-N 3.48Å; E737-R740 WeakPolarHBondContact O-CB 3.46Å; E737-R740 PolarHBondContact O-N 2.94Å; E737-R740 IonicContact OE1-CZ 2.79Å; E737-R740 IonicContact OE1-NH1 2.7Å; E737-R740 PolarHBondContact OE1-NH1 2.87Å; M738-R740 PolarHBondContact O-N 2.97Å |
| 741 | L | 79.7 | Confident | 84.1 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 14% | 0.136 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -82.9 | -40.2 | -176.4 | -69.6 | 172.3 | 0 | 0 | 0 | 112.9 | L692 V695 K696 F699 M712 E737 M738 | L692-L741 HydrophobicContact CD1-CD1 3.62Å; V695-L741 HydrophobicContact CG1-CD1 4.21Å; K696-L741 HydrophobicContact CG-CD1 4.03Å; K696-L741 HydrophobicContact CG-CD2 4.4Å; F699-L741 HydrophobicContact CD1-CD2 4.23Å; F699-L741 HydrophobicContact CD2-CD2 4.5Å; F699-L741 HydrophobicContact CG-CD2 4.23Å; M712-L741 HydrophobicContact CE-CB 4.37Å; E737-L741 PolarHBondContact O-N 2.95Å; M738-L741 HydrophobicContact CE-CD1 4.24Å; M738-L741 PolarHBondContact O-N 2.88Å |
| 742 | F | 79.9 | Confident | 84.8 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.057 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -107 | -20.6 | -171.7 | -58.9 | -89.8 | 0 | 0 | 0 | 113 | M712 F716 M738 T745 F750 | M712-F742 HydrophobicContact CB-CE1 3.61Å; M712-F742 HydrophobicContact CB-CZ 3.74Å; M712-F742 HydrophobicContact CE-CD1 3.97Å; M712-F742 HydrophobicContact CE-CE1 3.56Å; M712-F742 HydrophobicContact CE-CE2 4.28Å; M712-F742 HydrophobicContact CE-CZ 3.71Å; M712-F742 HydrophobicContact CG-CE1 4.26Å; M712-F742 HydrophobicContact CG-CZ 4.07Å; M712-F742 WeakPolarHBondContact O-CE1 3.49Å; M712-F742 VanDerWaalsContact O-CZ 3.32Å; M712-F742 WeakPolarHBondContact O-CZ 3.43Å; F716-F742 HydrophobicContact CB-CE1 4.05Å; F716-F742 HydrophobicContact CB-CZ 4.15Å; F716-F742 HydrophobicContact CD1-CB 4.35Å; F716-F742 AromaticContact CD1-CD1 3.74Å; F716-F742 HydrophobicContact CD1-CD1 3.74Å; F716-F742 HydrophobicContact CD1-CE1 4.1Å; F716-F742 HydrophobicContact CD1-CG 4Å; F716-F742 HydrophobicContact CE1-CB 4.09Å; F716-F742 HydrophobicContact CE1-CD1 4.29Å; F716-F742 HydrophobicContact CE1-CG 4.24Å; F716-F742 HydrophobicContact CG-CD1 4.37Å; F716-F742 HydrophobicContact CG-CE1 4.39Å; M738-F742 HydrophobicContact CB-CD2 4.17Å; M738-F742 HydrophobicContact CE-CD2 4.2Å; M738-F742 HydrophobicContact CE-CE2 3.53Å; M738-F742 WeakPolarHBondContact O-CB 3.39Å; M738-F742 VanDerWaalsContact O-CD2 3.3Å; M738-F742 WeakPolarHBondContact O-CD2 3.46Å; M738-F742 PolarHBondContact O-N 3.34Å; M738-F742 HydrophobicContact SD-CD2 3.73Å; M738-F742 HydrophobicContact SD-CE2 3.31Å; M738-F742 WeakPolarHBondContact SD-CE2 3.09Å; M738-F742 HydrophobicContact SD-CZ 4.2Å; F742-T745 HydrophobicContact CB-CG2 4.27Å; F742-T745 WeakPolarHBondContact O-CG2 3.48Å; F742-F750 HydrophobicContact CB-CD2 4.26Å; F742-F750 HydrophobicContact CB-CE2 4.34Å; F742-F750 AromaticContact CD1-CD1 3.89Å; F742-F750 HydrophobicContact CD1-CD1 3.89Å; F742-F750 AromaticContact CD1-CD2 3.95Å; F742-F750 HydrophobicContact CD1-CD2 3.95Å; F742-F750 AromaticContact CD1-CE1 3.78Å; F742-F750 HydrophobicContact CD1-CE1 3.78Å; F742-F750 AromaticContact CD1-CE2 3.84Å; F742-F750 HydrophobicContact CD1-CE2 3.84Å; F742-F750 AromaticContact CD1-CG 3.98Å; F742-F750 HydrophobicContact CD1-CG 3.98Å; F742-F750 AromaticContact CD1-CZ 3.76Å; F742-F750 HydrophobicContact CD1-CZ 3.76Å; F742-F750 HydrophobicContact CE1-CD1 4.24Å; F742-F750 AromaticContact CE1-CE1 3.96Å; F742-F750 HydrophobicContact CE1-CE1 3.96Å; F742-F750 HydrophobicContact CE1-CZ 4.22Å; F742-F750 HydrophobicContact CG-CE2 4.48Å |
| 743 | G | 80.7 | Confident | 85.3 | Confident | 33 Ų | 33 | 62.3 Ų | 62.3 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | trans | 75 | -175.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113 | N739 T745 | N739-G743 WeakPolarHBondContact O-CA 3.44Å; N739-G743 PolarHBondContact O-N 3.3Å; N739-G743 VanDerWaalsContact O-N 3.08Å; N739-G743 PolarHBondContact OD1-O 3.13Å; G743-T745 PolarHBondContact O-N 3.34Å | ||
| 744 | A | 77.6 | Confident | 85.8 | Confident | 105 Ų | 105 | 60 Ų | 60 | 87% | 0.868 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -78.2 | 69.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | N739 | N739-A744 PolarHBondContact OD1-N 3.34Š|
| 745 | T | 84.8 | Confident | 86.5 | Confident | 48 Ų | 48 | 60.1 Ų | 60.1 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | trans | -132.7 | 178.8 | -177.2 | -165.6 | 0 | 0 | 0 | 0 | 111.4 | F716 F742 G743 N749 F750 | F716-T745 HydrophobicContact CE1-CG2 4.16Å; F716-T745 VanDerWaalsContact CZ-O 3.3Å; F716-T745 WeakPolarHBondContact CZ-O 3.44Å; F742-T745 HydrophobicContact CB-CG2 4.27Å; F742-T745 WeakPolarHBondContact O-CG2 3.48Å; G743-T745 PolarHBondContact O-N 3.34Å; T745-N749 VanDerWaalsContact OG1-CB 3.27Å; T745-N749 WeakPolarHBondContact OG1-CB 3.27Å; T745-F750 HydrophobicContact CG2-CB 3.9Å; T745-F750 HydrophobicContact CG2-CD2 4.11Å; T745-F750 HydrophobicContact CG2-CG 4.45Å | ||
| 746 | N | 86.7 | Confident | 87.4 | Confident | 72 Ų | 72 | 59.8 Ų | 59.8 | 39% | 0.385 | 31% | 0.313 | S | S | . | . | trans | -112.6 | 163.8 | 168.9 | 68.3 | 45.8 | 0 | 0 | 0 | 110 | K748 N749 F750 | N746-K748 VanDerWaalsContact C-N 3.3Å; N746-K748 PolarHBondContact O-N 3.43Å; N746-K748 PolarHBondContact OD1-N 3.06Å; N746-K748 VanDerWaalsContact OD1-N 3.16Å; N746-N749 PolarHBondContact ND2-ND2 3.38Å; N746-N749 PolarHBondContact O-N 2.91Å; N746-N749 WeakPolarHBondContact OD1-CB 3.38Å; N746-N749 PolarHBondContact OD1-N 2.89Å; N746-F750 PolarHBondContact O-N 3.15Å | ||
| 747 | P | 88.7 | Confident | 87.9 | Confident | 19 Ų | 19 | 64.1 Ų | 64.1 | 12% | 0.123 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.2 | -39.3 | -177.7 | -26.1 | 33.2 | 0 | 0 | 0 | 114 | I713 F716 F750 N751 L775 | I713-P747 HydrophobicContact CD1-CB 4.45Å; I713-P747 WeakPolarHBondContact CD1-O 3.36Å; F716-P747 HydrophobicContact CB-CG 4.3Å; F716-P747 HydrophobicContact CD1-CB 4.15Å; F716-P747 HydrophobicContact CD1-CG 3.7Å; F716-P747 HydrophobicContact CD2-CG 4.23Å; F716-P747 HydrophobicContact CE1-CG 4.04Å; F716-P747 HydrophobicContact CG-CG 3.8Å; F716-P747 HydrophobicContact CZ-CG 4.45Å; P747-F750 PolarHBondContact O-N 2.92Å; P747-N751 PolarHBondContact O-N 2.69Å; P747-L775 HydrophobicContact CB-CD1 3.98Å; P747-L775 HydrophobicContact CB-CD2 3.89Å |
| 748 | K | 90.9 | Very high | 88.5 | Confident | 101 Ų | 101 | 63.9 Ų | 63.9 | 44% | 0.439 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.6 | -49.6 | 179.6 | -68.7 | -168.6 | 178.8 | -168.8 | 0 | 111.4 | N746 F750 N751 E752 L775 D776 | N746-K748 VanDerWaalsContact C-N 3.3Å; N746-K748 PolarHBondContact O-N 3.43Å; N746-K748 PolarHBondContact OD1-N 3.06Å; N746-K748 VanDerWaalsContact OD1-N 3.16Å; K748-F750 VanDerWaalsContact C-N 3.34Å; K748-F750 PolarHBondContact O-N 3.2Å; K748-N751 WeakPolarHBondContact O-CB 3.45Å; K748-N751 PolarHBondContact O-N 3.45Å; K748-E752 WeakPolarHBondContact O-CG 3.46Å; K748-E752 PolarHBondContact O-N 3.36Å; K748-L775 HydrophobicContact CG-CB 4.31Å; K748-L775 HydrophobicContact CG-CD1 4.13Å; K748-D776 IonicContact NZ-OD2 2.84Å; K748-D776 PolarHBondContact NZ-OD2 3.07Å |
| 749 | N | 91.4 | Very high | 89.2 | Confident | 86 Ų | 86 | 66 Ų | 66 | 46% | 0.46 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178.5 | -73.9 | -7.9 | 0 | 0 | 0 | 111.7 | T745 N746 N751 E752 T753 | T745-N749 VanDerWaalsContact OG1-CB 3.27Å; T745-N749 WeakPolarHBondContact OG1-CB 3.27Å; N746-N749 PolarHBondContact ND2-ND2 3.38Å; N746-N749 PolarHBondContact O-N 2.91Å; N746-N749 WeakPolarHBondContact OD1-CB 3.38Å; N746-N749 PolarHBondContact OD1-N 2.89Å; N749-N751 VanDerWaalsContact C-N 3.34Å; N749-N751 PolarHBondContact O-N 2.97Å; N749-E752 PolarHBondContact O-N 2.97Å; N749-T753 WeakPolarHBondContact O-CG2 3.17Å; N749-T753 PolarHBondContact O-N 3.43Å; N749-T753 PolarHBondContact O-OG1 2.94Å |
| 750 | F | 92.6 | Very high | 89.8 | Confident | 31 Ų | 31 | 65.3 Ų | 65.3 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 174.9 | -171.9 | -101.5 | 0 | 0 | 0 | 111.2 | H709 M712 I713 F742 T745 N746 P747 K748 E752 T753 F754 | H709-F750 AromaticContact CE1-CD1 3.74Å; H709-F750 AromaticContact CE1-CE1 3.74Å; H709-F750 AromaticContact ND1-CE1 3.55Å; M712-F750 HydrophobicContact CE-CE1 4.12Å; M712-F750 HydrophobicContact CE-CZ 3.68Å; I713-F750 HydrophobicContact CD1-CB 4.41Å; I713-F750 HydrophobicContact CD1-CD1 3.73Å; F742-F750 HydrophobicContact CB-CD2 4.26Å; F742-F750 HydrophobicContact CB-CE2 4.34Å; F742-F750 AromaticContact CD1-CD1 3.89Å; F742-F750 HydrophobicContact CD1-CD1 3.89Å; F742-F750 AromaticContact CD1-CD2 3.95Å; F742-F750 HydrophobicContact CD1-CD2 3.95Å; F742-F750 AromaticContact CD1-CE1 3.78Å; F742-F750 HydrophobicContact CD1-CE1 3.78Å; F742-F750 AromaticContact CD1-CE2 3.84Å; F742-F750 HydrophobicContact CD1-CE2 3.84Å; F742-F750 AromaticContact CD1-CG 3.98Å; F742-F750 HydrophobicContact CD1-CG 3.98Å; F742-F750 AromaticContact CD1-CZ 3.76Å; F742-F750 HydrophobicContact CD1-CZ 3.76Å; F742-F750 HydrophobicContact CE1-CD1 4.24Å; F742-F750 AromaticContact CE1-CE1 3.96Å; F742-F750 HydrophobicContact CE1-CE1 3.96Å; F742-F750 HydrophobicContact CE1-CZ 4.22Å; F742-F750 HydrophobicContact CG-CE2 4.48Å; T745-F750 HydrophobicContact CG2-CB 3.9Å; T745-F750 HydrophobicContact CG2-CD2 4.11Å; T745-F750 HydrophobicContact CG2-CG 4.45Å; N746-F750 PolarHBondContact O-N 3.15Å; P747-F750 PolarHBondContact O-N 2.92Å; K748-F750 VanDerWaalsContact C-N 3.34Å; K748-F750 PolarHBondContact O-N 3.2Å; F750-E752 PolarHBondContact O-N 3.21Å; F750-T753 WeakPolarHBondContact CA-OG1 3.23Å; F750-T753 PolarHBondContact O-N 3.47Å; F750-T753 PolarHBondContact O-OG1 3.29Å; F750-F754 PolarHBondContact O-N 2.91Å |
| 751 | N | 95.4 | Very high | 90.4 | Very high | 3 Ų | 3 | 57.5 Ų | 57.5 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 175.9 | -167 | 40.1 | 0 | 0 | 0 | 112.7 | H709 I713 P747 K748 N749 T753 F754 L755 A768 V772 | H709-N751 PolarHBondContact NE2-OD1 3.36Å; I713-N751 HydrophobicContact CD1-CB 4.05Å; P747-N751 PolarHBondContact O-N 2.69Å; K748-N751 WeakPolarHBondContact O-CB 3.45Å; K748-N751 PolarHBondContact O-N 3.45Å; N749-N751 VanDerWaalsContact C-N 3.34Å; N749-N751 PolarHBondContact O-N 2.97Å; N751-T753 VanDerWaalsContact C-N 3.34Å; N751-T753 PolarHBondContact O-N 3.47Å; N751-F754 PolarHBondContact O-N 3.16Å; N751-L755 WeakPolarHBondContact O-CB 3.42Å; N751-L755 PolarHBondContact O-N 3.48Å; N751-A768 PolarHBondContact ND2-O 3.27Å; N751-V772 WeakPolarHBondContact ND2-CG2 3.44Å; N751-V772 PolarHBondContact ND2-N 2.9Å |
| 752 | E | 94.7 | Very high | 91.2 | Very high | 47 Ų | 47 | 56.2 Ų | 56.2 | 22% | 0.22 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -40.2 | 176.1 | -70.9 | -65.3 | 160.3 | 0 | 0 | 112.4 | K748 N749 F750 L755 K756 R782 | K748-E752 WeakPolarHBondContact O-CG 3.46Å; K748-E752 PolarHBondContact O-N 3.36Å; N749-E752 PolarHBondContact O-N 2.97Å; F750-E752 PolarHBondContact O-N 3.21Å; E752-L755 PolarHBondContact O-N 2.98Å; E752-K756 WeakPolarHBondContact O-CB 3.41Å; E752-K756 VanDerWaalsContact O-CG 3.31Å; E752-K756 WeakPolarHBondContact O-CG 3.17Å; E752-K756 PolarHBondContact O-N 3Å; E752-R782 VanDerWaalsContact CD-NH2 3.25Å; E752-R782 IonicContact OE1-CZ 2.68Å; E752-R782 IonicContact OE1-NH1 3.54Å; E752-R782 PolarHBondContact OE1-NH1 3.25Å; E752-R782 IonicContact OE1-NH2 3.16Å; E752-R782 PolarHBondContact OE1-NH2 3.22Å; E752-R782 IonicContact OE2-CZ 2.8Å; E752-R782 IonicContact OE2-NH2 3.01Å; E752-R782 PolarHBondContact OE2-NH2 3.32Å |
| 753 | T | 94.2 | Very high | 92 | Very high | 62 Ų | 62 | 56.8 Ų | 56.8 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.2 | -36.9 | 177 | 54.9 | 0 | 0 | 0 | 0 | 112.5 | N749 F750 N751 R757 | N749-T753 WeakPolarHBondContact O-CG2 3.17Å; N749-T753 PolarHBondContact O-N 3.43Å; N749-T753 PolarHBondContact O-OG1 2.94Å; F750-T753 WeakPolarHBondContact CA-OG1 3.23Å; F750-T753 PolarHBondContact O-N 3.47Å; F750-T753 PolarHBondContact O-OG1 3.29Å; N751-T753 VanDerWaalsContact C-N 3.34Å; N751-T753 PolarHBondContact O-N 3.47Å; T753-R757 VanDerWaalsContact O-CG 3.31Å; T753-R757 WeakPolarHBondContact O-CG 3.09Å; T753-R757 PolarHBondContact O-N 3.22Å; T753-R757 VanDerWaalsContact O-N 3.16Å |
| 754 | F | 94.8 | Very high | 92.8 | Very high | 16 Ų | 16 | 56.7 Ų | 56.7 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.6 | -49.3 | 174 | 175.3 | -96.1 | 0 | 0 | 0 | 111 | S704 H709 F750 N751 K756 R757 N758 H764 A768 | S704-F754 WeakPolarHBondContact O-CE2 3.45Å; H709-F754 HydrophobicContact CB-CD1 4.48Å; H709-F754 HydrophobicContact CB-CD2 4.22Å; H709-F754 HydrophobicContact CB-CE1 4.08Å; H709-F754 HydrophobicContact CB-CE2 3.79Å; H709-F754 HydrophobicContact CB-CZ 3.7Å; H709-F754 AromaticContact CD2-CD1 3.38Å; H709-F754 WeakPolarHBondContact CD2-CD1 3.23Å; H709-F754 AromaticContact CD2-CE1 3.51Å; H709-F754 AromaticContact CD2-CG 3.82Å; H709-F754 VanDerWaalsContact CE1-CB 3.42Å; H709-F754 WeakPolarHBondContact CE1-CB 3.36Å; H709-F754 AromaticContact CE1-CD1 3.79Å; H709-F754 AromaticContact CE1-CG 3.5Å; H709-F754 VanDerWaalsContact CE1-CG 3.5Å; H709-F754 WeakPolarHBondContact CE1-CG 3.48Å; H709-F754 AromaticContact CG-CD1 3.7Å; H709-F754 AromaticContact CG-CD2 3.83Å; H709-F754 AromaticContact CG-CE1 3.75Å; H709-F754 AromaticContact CG-CE2 3.87Å; H709-F754 AromaticContact CG-CG 3.73Å; H709-F754 AromaticContact CG-CZ 3.81Å; H709-F754 AromaticContact ND1-CD1 3.99Å; H709-F754 AromaticContact ND1-CD2 3.69Å; H709-F754 AromaticContact ND1-CG 3.57Å; H709-F754 AromaticContact NE2-CD1 3.42Å; H709-F754 WeakPolarHBondContact NE2-CD1 3.2Å; H709-F754 AromaticContact NE2-CG 3.66Å; F750-F754 PolarHBondContact O-N 2.91Å; N751-F754 PolarHBondContact O-N 3.16Å; F754-K756 VanDerWaalsContact C-N 3.3Å; F754-K756 PolarHBondContact O-N 2.78Å; F754-R757 PolarHBondContact O-N 3.4Å; F754-R757 VanDerWaalsContact O-N 3.1Å; F754-N758 PolarHBondContact O-N 3.26Å; F754-N758 PolarHBondContact O-OD1 2.9Å; F754-H764 HydrophobicContact CE1-CB 4.1Å; F754-H764 HydrophobicContact CZ-CB 4.14Å; F754-H764 AromaticContact CZ-CD2 3.55Å; F754-A768 HydrophobicContact CD1-CB 4.24Å; F754-A768 HydrophobicContact CE1-CB 4.46Å |
| 755 | L | 95.6 | Very high | 93.7 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -56.5 | -43.2 | 177.1 | 177.4 | 61.2 | 0 | 0 | 0 | 112.1 | N751 E752 R757 N758 S759 R765 A768 L786 | N751-L755 WeakPolarHBondContact O-CB 3.42Å; N751-L755 PolarHBondContact O-N 3.48Å; E752-L755 PolarHBondContact O-N 2.98Å; L755-R757 VanDerWaalsContact C-N 3.35Å; L755-R757 PolarHBondContact O-N 3.4Å; L755-N758 CarbonylContact O-C 3.55Å; L755-N758 PolarHBondContact O-N 2.83Å; L755-S759 VanDerWaalsContact O-CA 3.24Å; L755-S759 WeakPolarHBondContact O-CA 3.32Å; L755-S759 VanDerWaalsContact O-CB 3.26Å; L755-S759 WeakPolarHBondContact O-CB 3.4Å; L755-S759 PolarHBondContact O-N 3.13Å; L755-R765 HydrophobicContact CD1-CG 4.27Å; L755-A768 HydrophobicContact CB-CB 4.05Å; L755-A768 HydrophobicContact CD1-CB 3.91Å; L755-A768 HydrophobicContact CG-CB 4.44Å; L755-L786 HydrophobicContact CD1-CD2 4.39Å; L755-L786 HydrophobicContact CD2-CD1 3.74Å; L755-L786 HydrophobicContact CD2-CD2 3.84Å; L755-L786 HydrophobicContact CD2-CG 4.44Å |
| 756 | K | 95.6 | Very high | 94.3 | Very high | 158 Ų | 158 | 51.6 Ų | 51.6 | 69% | 0.687 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -66.3 | -33.6 | 178.2 | -74.2 | 176.2 | -177.2 | -177.2 | 0 | 113.3 | E752 F754 | E752-K756 WeakPolarHBondContact O-CB 3.41Å; E752-K756 VanDerWaalsContact O-CG 3.31Å; E752-K756 WeakPolarHBondContact O-CG 3.17Å; E752-K756 PolarHBondContact O-N 3Å; F754-K756 VanDerWaalsContact C-N 3.3Å; F754-K756 PolarHBondContact O-N 2.78Å |
| 757 | R | 95 | Very high | 94.8 | Very high | 203 Ų | 203 | 48.5 Ų | 48.5 | 77% | 0.766 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -75.4 | -30 | 178.9 | -74.8 | 177 | -172.7 | -174.2 | 4.1 | 112.7 | T753 F754 L755 | T753-R757 VanDerWaalsContact O-CG 3.31Å; T753-R757 WeakPolarHBondContact O-CG 3.09Å; T753-R757 PolarHBondContact O-N 3.22Å; T753-R757 VanDerWaalsContact O-N 3.16Å; F754-R757 PolarHBondContact O-N 3.4Å; F754-R757 VanDerWaalsContact O-N 3.1Å; L755-R757 VanDerWaalsContact C-N 3.35Å; L755-R757 PolarHBondContact O-N 3.4Å |
| 758 | N | 95.7 | Very high | 95.2 | Very high | 24 Ų | 24 | 47.6 Ų | 47.6 | 13% | 0.128 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -122.6 | 27.2 | -170.4 | -57.5 | 88.6 | 0 | 0 | 0 | 112.2 | F754 L755 D760 S761 H764 | F754-N758 PolarHBondContact O-N 3.26Å; F754-N758 PolarHBondContact O-OD1 2.9Å; L755-N758 CarbonylContact O-C 3.55Å; L755-N758 PolarHBondContact O-N 2.83Å; N758-D760 PolarHBondContact O-N 3.24Å; N758-S761 PolarHBondContact O-N 2.9Å; N758-H764 HydrophobicContact CB-CB 3.6Å; N758-H764 PolarHBondContact ND2-CD2 3.2Å |
| 759 | S | 94.1 | Very high | 95.5 | Very high | 56 Ų | 56 | 42.8 Ų | 42.8 | 39% | 0.392 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -20 | -170.6 | 54.7 | 0 | 0 | 0 | 0 | 114.6 | L755 R765 | L755-S759 VanDerWaalsContact O-CA 3.24Å; L755-S759 WeakPolarHBondContact O-CA 3.32Å; L755-S759 VanDerWaalsContact O-CB 3.26Å; L755-S759 WeakPolarHBondContact O-CB 3.4Å; L755-S759 PolarHBondContact O-N 3.13Å; S759-R765 VanDerWaalsContact O-CD 3.29Å; S759-R765 WeakPolarHBondContact O-CD 3.38Å; S759-R765 PolarHBondContact O-NH1 2.81Å |
| 760 | D | 94.6 | Very high | 95.7 | Very high | 80 Ų | 80 | 40.7 Ų | 40.7 | 43% | 0.428 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.1 | 178.8 | 66.9 | -41.1 | 0 | 0 | 0 | 112.7 | N758 L794 T795 | N758-D760 PolarHBondContact O-N 3.24Å; D760-L794 CarbonylContact O-C 3.58Å; D760-L794 VanDerWaalsContact O-CA 3.28Å; D760-L794 WeakPolarHBondContact O-CA 3.36Å; D760-T795 PolarHBondContact O-N 3.09Å |
| 761 | S | 96.7 | Very high | 95.9 | Very high | 10 Ų | 10 | 39.6 Ų | 39.6 | 7% | 0.07 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -108.8 | 116.9 | -177.1 | -174.1 | 0 | 0 | 0 | 0 | 112.7 | N758 H764 R765 | N758-S761 PolarHBondContact O-N 2.9Å; S761-H764 WeakPolarHBondContact CB-ND1 3.02Å; S761-H764 PolarHBondContact O-N 2.95Å; S761-H764 VanDerWaalsContact O-N 3.1Å; S761-H764 PolarHBondContact OG-ND1 3.31Å; S761-R765 WeakPolarHBondContact O-CG 3.41Å; S761-R765 PolarHBondContact O-N 3.4Å |
| 762 | L | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.9 | -44 | -175.6 | -174.3 | 62.1 | 0 | 0 | 0 | 114.1 | H764 R765 L766 L794 T795 R797 V805 | L762-H764 VanDerWaalsContact C-N 3.32Å; L762-H764 PolarHBondContact O-N 3.36Å; L762-R765 PolarHBondContact O-N 2.92Å; L762-L766 PolarHBondContact O-N 3.43Å; L762-L794 HydrophobicContact CD1-CD1 4.37Å; L762-T795 PolarHBondContact N-O 3.44Å; L762-R797 HydrophobicContact CD2-CB 4.46Å; L762-R797 HydrophobicContact CD2-CG 4.35Å; L762-V805 HydrophobicContact CD1-CG2 4.42Å; L762-V805 HydrophobicContact CG-CG2 4.44Å |
| 763 | P | 96.9 | Very high | 95.9 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.1 | -39.5 | 174.2 | -27.7 | 35.7 | 0 | 0 | 0 | 114.1 | P706 L766 S767 N796 T801 | P706-P763 HydrophobicContact CG-CB 3.93Å; P763-L766 PolarHBondContact O-N 3.37Å; P763-S767 PolarHBondContact O-N 2.89Å; P763-S767 VanDerWaalsContact O-N 3.1Å; P763-N796 HydrophobicContact CG-CB 4.34Å; P763-T801 HydrophobicContact CG-CG2 3.57Å |
| 764 | H | 97.4 | Very high | 95.9 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 14% | 0.139 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.6 | -39.3 | -180 | -63.8 | 76.9 | 0 | 0 | 0 | 110.7 | S704 F754 N758 S761 L762 L766 S767 A768 | S704-H764 PolarHBondContact O-CD2 3.15Å; S704-H764 PolarHBondContact O-NE2 3.1Å; F754-H764 HydrophobicContact CE1-CB 4.1Å; F754-H764 HydrophobicContact CZ-CB 4.14Å; F754-H764 AromaticContact CZ-CD2 3.55Å; N758-H764 HydrophobicContact CB-CB 3.6Å; N758-H764 PolarHBondContact ND2-CD2 3.2Å; S761-H764 WeakPolarHBondContact CB-ND1 3.02Å; S761-H764 PolarHBondContact O-N 2.95Å; S761-H764 VanDerWaalsContact O-N 3.1Å; S761-H764 PolarHBondContact OG-ND1 3.31Å; L762-H764 VanDerWaalsContact C-N 3.32Å; L762-H764 PolarHBondContact O-N 3.36Å; H764-L766 VanDerWaalsContact C-N 3.34Å; H764-S767 PolarHBondContact O-N 3.21Å; H764-A768 VanDerWaalsContact O-CB 3.31Å; H764-A768 WeakPolarHBondContact O-CB 3.4Å; H764-A768 PolarHBondContact O-N 3.13Å |
| 765 | R | 96.4 | Very high | 95.9 | Very high | 41 Ų | 41 | 43.1 Ų | 43.1 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.1 | -41.7 | 173.4 | -64.1 | 178.9 | 78.2 | 123 | -6.2 | 111.8 | L755 S759 S761 L762 A768 A769 L786 T789 | L755-R765 HydrophobicContact CD1-CG 4.27Å; S759-R765 VanDerWaalsContact O-CD 3.29Å; S759-R765 WeakPolarHBondContact O-CD 3.38Å; S759-R765 PolarHBondContact O-NH1 2.81Å; S761-R765 WeakPolarHBondContact O-CG 3.41Å; S761-R765 PolarHBondContact O-N 3.4Å; L762-R765 PolarHBondContact O-N 2.92Å; R765-A768 PolarHBondContact O-N 2.97Å; R765-A769 VanDerWaalsContact O-CB 3.26Å; R765-A769 WeakPolarHBondContact O-CB 3.17Å; R765-A769 PolarHBondContact O-N 2.98Å; R765-L786 PolarHBondContact NE-O 3.45Å; R765-T789 VanDerWaalsContact NE-CG2 3.28Å; R765-T789 VanDerWaalsContact NH2-CG2 3.3Å |
| 766 | L | 97 | Very high | 95.8 | Very high | 6 Ų | 6 | 44.4 Ų | 44.4 | 3% | 0.031 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.6 | -50.8 | 177 | 177.7 | 58.4 | 0 | 0 | 0 | 111.4 | L762 P763 H764 A768 A769 K770 A787 E804 V805 A808 | L762-L766 PolarHBondContact O-N 3.43Å; P763-L766 PolarHBondContact O-N 3.37Å; H764-L766 VanDerWaalsContact C-N 3.34Å; L766-A768 VanDerWaalsContact C-N 3.34Å; L766-A768 PolarHBondContact O-N 3.03Å; L766-A769 WeakPolarHBondContact O-CB 3.5Å; L766-A769 PolarHBondContact O-N 3.47Å; L766-K770 HydrophobicContact CD1-CG 4.46Å; L766-K770 WeakPolarHBondContact O-CG 3.47Å; L766-K770 PolarHBondContact O-N 3.37Å; L766-A787 HydrophobicContact CD1-CB 4.13Å; L766-E804 HydrophobicContact CD2-CB 4.01Å; L766-V805 HydrophobicContact CB-CG2 4.4Å; L766-V805 HydrophobicContact CD1-CG2 4.15Å; L766-V805 HydrophobicContact CD2-CG2 4.01Å; L766-V805 HydrophobicContact CG-CG2 4.41Å; L766-A808 HydrophobicContact CD1-CB 3.91Å |
| 767 | S | 97.3 | Very high | 95.7 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.5 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | P706 E710 P763 H764 A769 K770 M771 | P706-S767 WeakPolarHBondContact CB-OG 3.37Å; P706-S767 WeakPolarHBondContact O-CB 3.31Å; P706-S767 PolarHBondContact O-OG 3.45Å; E710-S767 WeakPolarHBondContact OE1-CA 3.46Å; E710-S767 VanDerWaalsContact OE1-CB 3.26Å; E710-S767 WeakPolarHBondContact OE1-CB 3.47Å; E710-S767 PolarHBondContact OE1-OG 3.31Å; P763-S767 PolarHBondContact O-N 2.89Å; P763-S767 VanDerWaalsContact O-N 3.1Å; H764-S767 PolarHBondContact O-N 3.21Å; S767-A769 VanDerWaalsContact C-N 3.34Å; S767-A769 PolarHBondContact O-N 3.28Å; S767-K770 PolarHBondContact O-N 3.28Å; S767-M771 VanDerWaalsContact O-CG 3.32Å; S767-M771 WeakPolarHBondContact O-CG 3.22Å; S767-M771 PolarHBondContact O-N 2.99Å |
| 768 | A | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.9 | -42.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N751 F754 L755 H764 R765 L766 M771 V772 | N751-A768 PolarHBondContact ND2-O 3.27Å; F754-A768 HydrophobicContact CD1-CB 4.24Å; F754-A768 HydrophobicContact CE1-CB 4.46Å; L755-A768 HydrophobicContact CB-CB 4.05Å; L755-A768 HydrophobicContact CD1-CB 3.91Å; L755-A768 HydrophobicContact CG-CB 4.44Å; H764-A768 VanDerWaalsContact O-CB 3.31Å; H764-A768 WeakPolarHBondContact O-CB 3.4Å; H764-A768 PolarHBondContact O-N 3.13Å; R765-A768 PolarHBondContact O-N 2.97Å; L766-A768 VanDerWaalsContact C-N 3.34Å; L766-A768 PolarHBondContact O-N 3.03Å; A768-M771 CarbonylContact O-C 3.59Å; A768-M771 PolarHBondContact O-N 3.33Å; A768-V772 WeakPolarHBondContact O-CG2 3.47Å; A768-V772 PolarHBondContact O-N 3.45Å |
| 769 | A | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | R765 L766 S767 M771 V772 Y773 A783 L786 A787 L814 | R765-A769 VanDerWaalsContact O-CB 3.26Å; R765-A769 WeakPolarHBondContact O-CB 3.17Å; R765-A769 PolarHBondContact O-N 2.98Å; L766-A769 WeakPolarHBondContact O-CB 3.5Å; L766-A769 PolarHBondContact O-N 3.47Å; S767-A769 VanDerWaalsContact C-N 3.34Å; S767-A769 PolarHBondContact O-N 3.28Å; A769-M771 PolarHBondContact O-N 3.38Å; A769-V772 WeakPolarHBondContact O-CB 3.45Å; A769-V772 PolarHBondContact O-N 3.17Å; A769-V772 VanDerWaalsContact O-N 3.11Å; A769-Y773 PolarHBondContact O-N 3.36Å; A769-Y773 VanDerWaalsContact O-N 3.08Å; A769-A783 HydrophobicContact CB-CB 4.31Å; A769-A783 VanDerWaalsContact CB-O 3.27Å; A769-A783 WeakPolarHBondContact CB-O 3.33Å; A769-A783 WeakPolarHBondContact O-CB 3.22Å; A769-L786 HydrophobicContact CB-CB 4.11Å; A769-A787 HydrophobicContact CB-CB 3.88Å; A769-L814 HydrophobicContact CB-CD2 4.31Å |
| 770 | K | 96.3 | Very high | 95.5 | Very high | 43 Ų | 43 | 36.1 Ų | 36.1 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.2 | -44 | 172.6 | -71.4 | 178.6 | 179.6 | -177.7 | 0 | 111 | L766 S767 Y773 Y774 | L766-K770 HydrophobicContact CD1-CG 4.46Å; L766-K770 WeakPolarHBondContact O-CG 3.47Å; L766-K770 PolarHBondContact O-N 3.37Å; S767-K770 PolarHBondContact O-N 3.28Å; K770-Y773 PolarHBondContact O-N 2.96Å; K770-Y774 VanDerWaalsContact O-CB 3.3Å; K770-Y774 WeakPolarHBondContact O-CB 3.5Å; K770-Y774 PolarHBondContact O-N 3.4Å |
| 771 | M | 96.4 | Very high | 95.5 | Very high | 8 Ų | 8 | 39.7 Ų | 39.7 | 4% | 0.039 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -73.3 | -29 | 179 | -64.6 | -53.6 | 96.3 | 0 | 0 | 113.6 | E710 I713 S767 A768 A769 L775 | E710-M771 HydrophobicContact CB-CE 3.99Å; E710-M771 HydrophobicContact CB-SD 4.08Å; E710-M771 HydrophobicContact CG-CE 3.88Å; E710-M771 HydrophobicContact CG-CG 4.23Å; E710-M771 HydrophobicContact CG-SD 4.27Å; I713-M771 HydrophobicContact CB-CB 4.49Å; I713-M771 HydrophobicContact CB-CG 3.99Å; I713-M771 HydrophobicContact CB-SD 3.74Å; I713-M771 HydrophobicContact CG1-CB 4.3Å; I713-M771 HydrophobicContact CG1-CG 4.01Å; I713-M771 HydrophobicContact CG1-SD 4.43Å; I713-M771 HydrophobicContact CG2-CB 4.16Å; I713-M771 HydrophobicContact CG2-CG 4.07Å; I713-M771 HydrophobicContact CG2-SD 3.66Å; S767-M771 VanDerWaalsContact O-CG 3.32Å; S767-M771 WeakPolarHBondContact O-CG 3.22Å; S767-M771 PolarHBondContact O-N 2.99Å; A768-M771 CarbonylContact O-C 3.59Å; A768-M771 PolarHBondContact O-N 3.33Å; A769-M771 PolarHBondContact O-N 3.38Å; M771-L775 WeakPolarHBondContact O-CB 3.32Å; M771-L775 VanDerWaalsContact O-CG 3.24Å; M771-L775 WeakPolarHBondContact O-CG 3.48Å; M771-L775 PolarHBondContact O-N 3.23Å |
| 772 | V | 95.9 | Very high | 95.4 | Very high | 11 Ų | 11 | 44 Ų | 44 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -50 | 170.5 | 168 | 0 | 0 | 0 | 0 | 109.6 | N751 A768 A769 D776 A783 L786 | N751-V772 WeakPolarHBondContact ND2-CG2 3.44Å; N751-V772 PolarHBondContact ND2-N 2.9Å; A768-V772 WeakPolarHBondContact O-CG2 3.47Å; A768-V772 PolarHBondContact O-N 3.45Å; A769-V772 WeakPolarHBondContact O-CB 3.45Å; A769-V772 PolarHBondContact O-N 3.17Å; A769-V772 VanDerWaalsContact O-N 3.11Å; V772-D776 PolarHBondContact O-N 3.33Å; V772-A783 HydrophobicContact CB-CB 4.28Å; V772-A783 HydrophobicContact CG1-CB 4.17Å; V772-L786 HydrophobicContact CG2-CD1 4.24Å |
| 773 | Y | 95.8 | Very high | 95.3 | Very high | 57 Ų | 57 | 44 Ų | 44 | 22% | 0.224 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.9 | -42.3 | 179.1 | -179.8 | -110.5 | 0 | 0 | 0 | 112.3 | A769 K770 L775 D776 P777 Q780 S813 G815 | A769-Y773 PolarHBondContact O-N 3.36Å; A769-Y773 VanDerWaalsContact O-N 3.08Å; K770-Y773 PolarHBondContact O-N 2.96Å; Y773-L775 PolarHBondContact O-N 3.18Å; Y773-D776 CarbonylContact O-C 3.24Å; Y773-D776 VanDerWaalsContact O-C 3.24Å; Y773-D776 PolarHBondContact O-N 3.33Å; Y773-P777 HydrophobicContact CE2-CB 4.07Å; Y773-Q780 HydrophobicContact CD2-CB 3.79Å; Y773-Q780 HydrophobicContact CD2-CG 3.94Å; Y773-Q780 HydrophobicContact CE2-CB 3.91Å; Y773-Q780 HydrophobicContact CE2-CG 3.92Å; Y773-S813 VanDerWaalsContact CD1-O 3.29Å; Y773-S813 WeakPolarHBondContact CD1-O 3.39Å; Y773-G815 VanDerWaalsContact OH-CA 3.28Å; Y773-G815 WeakPolarHBondContact OH-CA 3.17Å |
| 774 | Y | 94.2 | Very high | 95.2 | Very high | 100 Ų | 100 | 44.1 Ų | 44.1 | 39% | 0.392 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -59.8 | -41.6 | 177.7 | 178 | -95.5 | 0 | 0 | 0 | 113.1 | I713 R714 K770 | I713-Y774 HydrophobicContact CG2-CD1 4.47Å; R714-Y774 HydrophobicContact CG-CE1 4.06Å; R714-Y774 HydrophobicContact CG-CE2 4.44Å; K770-Y774 VanDerWaalsContact O-CB 3.3Å; K770-Y774 WeakPolarHBondContact O-CB 3.5Å; K770-Y774 PolarHBondContact O-N 3.4Å |
| 775 | L | 93.1 | Very high | 95.1 | Very high | 34 Ų | 34 | 48.1 Ų | 48.1 | 18% | 0.178 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -81.3 | -24.2 | 179.5 | -67.1 | 174.9 | 0 | 0 | 0 | 113.3 | I713 P747 K748 M771 Y773 | I713-L775 HydrophobicContact CG2-CD1 3.89Å; I713-L775 HydrophobicContact CG2-CD2 3.91Å; I713-L775 HydrophobicContact CG2-CG 3.96Å; P747-L775 HydrophobicContact CB-CD1 3.98Å; P747-L775 HydrophobicContact CB-CD2 3.89Å; K748-L775 HydrophobicContact CG-CB 4.31Å; K748-L775 HydrophobicContact CG-CD1 4.13Å; M771-L775 WeakPolarHBondContact O-CB 3.32Å; M771-L775 VanDerWaalsContact O-CG 3.24Å; M771-L775 WeakPolarHBondContact O-CG 3.48Å; M771-L775 PolarHBondContact O-N 3.23Å; Y773-L775 PolarHBondContact O-N 3.18Å |
| 776 | D | 93.3 | Very high | 95 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 22% | 0.219 | 24% | 0.235 | C | C | . | . | trans | -153.7 | 91.2 | -177.2 | -163.4 | -22.8 | 0 | 0 | 0 | 111.3 | K748 V772 Y773 S778 S779 | K748-D776 IonicContact NZ-OD2 2.84Å; K748-D776 PolarHBondContact NZ-OD2 3.07Å; V772-D776 PolarHBondContact O-N 3.33Å; Y773-D776 CarbonylContact O-C 3.24Å; Y773-D776 VanDerWaalsContact O-C 3.24Å; Y773-D776 PolarHBondContact O-N 3.33Å; D776-S778 PolarHBondContact O-N 3.46Å; D776-S778 VanDerWaalsContact O-N 3.09Å; D776-S778 WeakPolarHBondContact OD1-CB 3.2Å; D776-S778 PolarHBondContact OD1-N 2.83Å; D776-S778 PolarHBondContact OD1-OG 3.24Å; D776-S779 WeakPolarHBondContact O-CB 3.39Å; D776-S779 PolarHBondContact O-N 3.35Å | ||
| 777 | P | 93.4 | Very high | 94.9 | Very high | 81 Ų | 81 | 47 Ų | 47 | 53% | 0.526 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -58.6 | -25 | -179.7 | -27.6 | 35.9 | 0 | 0 | 0 | 113.9 | Y773 S779 Q780 | Y773-P777 HydrophobicContact CE2-CB 4.07Å; P777-S779 PolarHBondContact O-N 2.68Å; P777-Q780 PolarHBondContact O-N 3Å |
| 778 | S | 94.2 | Very high | 94.8 | Very high | 104 Ų | 104 | 48.4 Ų | 48.4 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -67.4 | -20.5 | 176.7 | 77.1 | 0 | 0 | 0 | 0 | 113.1 | D776 Q780 | D776-S778 PolarHBondContact O-N 3.46Å; D776-S778 VanDerWaalsContact O-N 3.09Å; D776-S778 WeakPolarHBondContact OD1-CB 3.2Å; D776-S778 PolarHBondContact OD1-N 2.83Å; D776-S778 PolarHBondContact OD1-OG 3.24Å; S778-Q780 VanDerWaalsContact C-N 3.28Å; S778-Q780 PolarHBondContact O-N 3.4Å |
| 779 | S | 94.1 | Very high | 94.7 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 23% | 0.231 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -89 | 17.6 | 178.6 | -66.4 | 0 | 0 | 0 | 0 | 113.7 | D776 P777 K781 R782 A783 | D776-S779 WeakPolarHBondContact O-CB 3.39Å; D776-S779 PolarHBondContact O-N 3.35Å; P777-S779 PolarHBondContact O-N 2.68Å; S779-K781 VanDerWaalsContact C-N 3.32Å; S779-K781 PolarHBondContact O-N 2.92Å; S779-R782 PolarHBondContact O-N 3.49Å; S779-R782 VanDerWaalsContact O-N 3.13Å; S779-A783 PolarHBondContact O-N 2.7Å |
| 780 | Q | 93.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 50.8 Ų | 50.8 | 23% | 0.229 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -51.2 | -47.5 | -179.8 | -172.2 | -175.9 | -13.7 | 0 | 0 | 112.9 | Y773 P777 S778 R782 A783 I784 L814 D816 C817 | Y773-Q780 HydrophobicContact CD2-CB 3.79Å; Y773-Q780 HydrophobicContact CD2-CG 3.94Å; Y773-Q780 HydrophobicContact CE2-CB 3.91Å; Y773-Q780 HydrophobicContact CE2-CG 3.92Å; P777-Q780 PolarHBondContact O-N 3Å; S778-Q780 VanDerWaalsContact C-N 3.28Å; S778-Q780 PolarHBondContact O-N 3.4Å; Q780-R782 VanDerWaalsContact C-N 3.28Å; Q780-R782 PolarHBondContact O-N 2.91Å; Q780-A783 WeakPolarHBondContact O-CB 3.46Å; Q780-A783 PolarHBondContact O-N 3.39Å; Q780-I784 HydrophobicContact CG-CD1 4.12Å; Q780-I784 HydrophobicContact CG-CG1 4.49Å; Q780-I784 WeakPolarHBondContact O-CG1 3.31Å; Q780-I784 PolarHBondContact O-N 3.12Å; Q780-L814 VanDerWaalsContact CD-O 3.26Å; Q780-L814 WeakPolarHBondContact CG-O 3.31Å; Q780-L814 PolarHBondContact NE2-O 3.3Å; Q780-D816 PolarHBondContact NE2-O 3.42Å; Q780-D816 VanDerWaalsContact NE2-O 3.09Å; Q780-C817 PolarHBondContact NE2-SG 2.74Å |
| 781 | K | 94.1 | Very high | 94.4 | Very high | 154 Ų | 154 | 53.1 Ų | 53.1 | 67% | 0.67 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -55.4 | -44.4 | -179.7 | -176 | -179.2 | 176.1 | -177.4 | 0 | 112.1 | S779 I784 E785 | S779-K781 VanDerWaalsContact C-N 3.32Å; S779-K781 PolarHBondContact O-N 2.92Å; K781-I784 PolarHBondContact O-N 3.3Å; K781-E785 WeakPolarHBondContact CE-OE1 3.31Å; K781-E785 WeakPolarHBondContact O-CG 3.25Å; K781-E785 PolarHBondContact O-N 3.46Å; K781-E785 VanDerWaalsContact O-N 3.12Å |
| 782 | R | 94.7 | Very high | 94.2 | Very high | 101 Ų | 101 | 60.9 Ų | 60.9 | 38% | 0.381 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 177 | -177.7 | 178.9 | 178.2 | -146 | -7.8 | 111.5 | E752 S779 Q780 I784 E785 L786 | E752-R782 VanDerWaalsContact CD-NH2 3.25Å; E752-R782 IonicContact OE1-CZ 2.68Å; E752-R782 IonicContact OE1-NH1 3.54Å; E752-R782 PolarHBondContact OE1-NH1 3.25Å; E752-R782 IonicContact OE1-NH2 3.16Å; E752-R782 PolarHBondContact OE1-NH2 3.22Å; E752-R782 IonicContact OE2-CZ 2.8Å; E752-R782 IonicContact OE2-NH2 3.01Å; E752-R782 PolarHBondContact OE2-NH2 3.32Å; S779-R782 PolarHBondContact O-N 3.49Å; S779-R782 VanDerWaalsContact O-N 3.13Å; Q780-R782 VanDerWaalsContact C-N 3.28Å; Q780-R782 PolarHBondContact O-N 2.91Å; R782-I784 VanDerWaalsContact C-N 3.33Å; R782-I784 PolarHBondContact O-N 3.49Å; R782-E785 PolarHBondContact O-N 2.89Å; R782-L786 HydrophobicContact CG-CD1 4.22Å; R782-L786 HydrophobicContact CG-CG 4.48Å; R782-L786 VanDerWaalsContact O-CG 3.26Å; R782-L786 WeakPolarHBondContact O-CG 3.31Å; R782-L786 PolarHBondContact O-N 2.92Å |
| 783 | A | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61 | -42.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A769 V772 S779 Q780 L786 A787 L814 | A769-A783 HydrophobicContact CB-CB 4.31Å; A769-A783 VanDerWaalsContact CB-O 3.27Å; A769-A783 WeakPolarHBondContact CB-O 3.33Å; A769-A783 WeakPolarHBondContact O-CB 3.22Å; V772-A783 HydrophobicContact CB-CB 4.28Å; V772-A783 HydrophobicContact CG1-CB 4.17Å; S779-A783 PolarHBondContact O-N 2.7Å; Q780-A783 WeakPolarHBondContact O-CB 3.46Å; Q780-A783 PolarHBondContact O-N 3.39Å; A783-L786 PolarHBondContact O-N 3.25Å; A783-A787 PolarHBondContact O-N 3.26Å; A783-A787 VanDerWaalsContact O-N 3.12Å; A783-L814 HydrophobicContact CB-CD2 4.15Å |
| 784 | I | 94.6 | Very high | 93.8 | Very high | 28 Ų | 28 | 63 Ų | 63 | 14% | 0.144 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.7 | -53.9 | 175.1 | -63.6 | 169 | 0 | 0 | 0 | 109.9 | Q780 K781 R782 L786 A787 T788 L809 C817 A820 | Q780-I784 HydrophobicContact CG-CD1 4.12Å; Q780-I784 HydrophobicContact CG-CG1 4.49Å; Q780-I784 WeakPolarHBondContact O-CG1 3.31Å; Q780-I784 PolarHBondContact O-N 3.12Å; K781-I784 PolarHBondContact O-N 3.3Å; R782-I784 VanDerWaalsContact C-N 3.33Å; R782-I784 PolarHBondContact O-N 3.49Å; I784-L786 PolarHBondContact O-N 3.4Å; I784-L786 VanDerWaalsContact O-N 3.17Å; I784-A787 PolarHBondContact O-N 2.75Å; I784-T788 HydrophobicContact CG2-CG2 3.86Å; I784-T788 WeakPolarHBondContact O-CB 3.4Å; I784-T788 WeakPolarHBondContact O-CG2 3.39Å; I784-T788 PolarHBondContact O-N 2.94Å; I784-T788 PolarHBondContact O-OG1 3.4Å; I784-L809 HydrophobicContact CG1-CD2 4.41Å; I784-L809 HydrophobicContact CG2-CD2 4.5Å; I784-C817 HydrophobicContact CD1-CB 4.38Å; I784-A820 HydrophobicContact CD1-CB 4.33Å; I784-A820 HydrophobicContact CG2-CB 3.79Å |
| 785 | E | 94.8 | Very high | 93.8 | Very high | 114 Ų | 114 | 61.6 Ų | 61.6 | 53% | 0.533 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.3 | -36.8 | 179.5 | -71.7 | 169.5 | -170.9 | 0 | 0 | 113 | K781 R782 | K781-E785 WeakPolarHBondContact CE-OE1 3.31Å; K781-E785 WeakPolarHBondContact O-CG 3.25Å; K781-E785 PolarHBondContact O-N 3.46Å; K781-E785 VanDerWaalsContact O-N 3.12Å; R782-E785 PolarHBondContact O-N 2.89Å |
| 786 | L | 94.3 | Very high | 93.7 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 13% | 0.126 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -69.1 | -39.3 | 177.8 | -73.1 | 173.2 | 0 | 0 | 0 | 113.1 | L755 R765 A769 V772 R782 A783 I784 | L755-L786 HydrophobicContact CD1-CD2 4.39Å; L755-L786 HydrophobicContact CD2-CD1 3.74Å; L755-L786 HydrophobicContact CD2-CD2 3.84Å; L755-L786 HydrophobicContact CD2-CG 4.44Å; R765-L786 PolarHBondContact NE-O 3.45Å; A769-L786 HydrophobicContact CB-CB 4.11Å; V772-L786 HydrophobicContact CG2-CD1 4.24Å; R782-L786 HydrophobicContact CG-CD1 4.22Å; R782-L786 HydrophobicContact CG-CG 4.48Å; R782-L786 VanDerWaalsContact O-CG 3.26Å; R782-L786 WeakPolarHBondContact O-CG 3.31Å; R782-L786 PolarHBondContact O-N 2.92Å; A783-L786 PolarHBondContact O-N 3.25Å; I784-L786 PolarHBondContact O-N 3.4Å; I784-L786 VanDerWaalsContact O-N 3.17Å |
| 787 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -82.1 | -34.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113 | L766 A769 A783 I784 T789 V805 L814 | L766-A787 HydrophobicContact CD1-CB 4.13Å; A769-A787 HydrophobicContact CB-CB 3.88Å; A783-A787 PolarHBondContact O-N 3.26Å; A783-A787 VanDerWaalsContact O-N 3.12Å; I784-A787 PolarHBondContact O-N 2.75Å; A787-T789 PolarHBondContact O-N 2.79Å; A787-V805 HydrophobicContact CB-CG1 4.27Å; A787-V805 WeakPolarHBondContact O-CG1 3.48Å; A787-L814 HydrophobicContact CB-CD2 4.14Å |
| 788 | T | 95.7 | Very high | 93.8 | Very high | 35 Ų | 35 | 63.9 Ų | 63.9 | 22% | 0.215 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -91.1 | 7.8 | -171.2 | 62.5 | 0 | 0 | 0 | 0 | 114.7 | I784 L809 Y824 | I784-T788 HydrophobicContact CG2-CG2 3.86Å; I784-T788 WeakPolarHBondContact O-CB 3.4Å; I784-T788 WeakPolarHBondContact O-CG2 3.39Å; I784-T788 PolarHBondContact O-N 2.94Å; I784-T788 PolarHBondContact O-OG1 3.4Å; T788-L809 HydrophobicContact CG2-CD1 3.86Å; T788-L809 HydrophobicContact CG2-CD2 4.33Å; T788-Y824 HydrophobicContact CG2-CD2 3.81Å; T788-Y824 HydrophobicContact CG2-CE2 4.37Å; T788-Y824 HydrophobicContact CG2-CG 4.11Å |
| 789 | T | 94.9 | Very high | 93.8 | Very high | 19 Ų | 19 | 59.6 Ų | 59.6 | 12% | 0.117 | 30% | 0.302 | C | S | . | . | trans | -67.4 | 143.1 | 173.4 | 174.5 | 0 | 0 | 0 | 0 | 111 | R765 A787 D791 L794 | R765-T789 VanDerWaalsContact NE-CG2 3.28Å; R765-T789 VanDerWaalsContact NH2-CG2 3.3Å; A787-T789 PolarHBondContact O-N 2.79Å; T789-D791 PolarHBondContact OG1-N 3.44Å; T789-D791 PolarHBondContact OG1-OD2 3.47Å; T789-L794 HydrophobicContact CG2-CD1 3.72Å | ||
| 790 | L | 94.1 | Very high | 93.8 | Very high | 30 Ų | 30 | 63.1 Ų | 63.1 | 16% | 0.157 | 32% | 0.315 | C | S | . | . | trans | -129.3 | 22.4 | -179.8 | -66.2 | 171.5 | 0 | 0 | 0 | 112.1 | R797 Y824 N827 L831 | L790-R797 HydrophobicContact CD2-CG 4.47Å; L790-R797 VanDerWaalsContact O-CD 3.3Å; L790-R797 WeakPolarHBondContact O-CD 3.34Å; L790-R797 PolarHBondContact O-NH1 2.86Å; L790-Y824 HydrophobicContact CD1-CD2 4.27Å; L790-Y824 HydrophobicContact CD1-CE2 3.93Å; L790-Y824 HydrophobicContact CD2-CE2 3.75Å; L790-Y824 HydrophobicContact CG-CE2 3.83Å; L790-N827 HydrophobicContact CD1-CB 3.79Å; L790-L831 HydrophobicContact CB-CD1 4.04Å; L790-L831 HydrophobicContact CD1-CD1 4.07Å; L790-L831 HydrophobicContact CD2-CD1 4.15Å; L790-L831 HydrophobicContact CG-CD1 4.32Å | ||
| 791 | D | 92.4 | Very high | 93.8 | Very high | 92 Ų | 92 | 61.3 Ų | 61.3 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | trans | -55.1 | 142.3 | -178.8 | -65.1 | -37.8 | 0 | 0 | 0 | 112 | T789 S793 L794 | T789-D791 PolarHBondContact OG1-N 3.44Å; T789-D791 PolarHBondContact OG1-OD2 3.47Å; D791-S793 PolarHBondContact O-N 2.79Å; D791-L794 HydrophobicContact CB-CD1 4.37Å; D791-L794 HydrophobicContact CB-CG 4.25Å; D791-L794 WeakPolarHBondContact O-CB 3.35Å; D791-L794 WeakPolarHBondContact O-CG 3.38Å; D791-L794 PolarHBondContact O-N 3.38Å; D791-L794 VanDerWaalsContact O-N 3.17Å | ||
| 792 | E | 90.8 | Very high | 93.9 | Very high | 171 Ų | 171 | 54 Ų | 54 | 80% | 0.799 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.3 | -178.8 | -62.4 | -162.8 | 154.6 | 0 | 0 | 113.7 | L794 | E792-L794 PolarHBondContact O-N 2.72Š|
| 793 | S | 91.9 | Very high | 94 | Very high | 98 Ų | 98 | 52 Ų | 52 | 69% | 0.685 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.3 | -8.9 | 176 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | D791 T795 | D791-S793 PolarHBondContact O-N 2.79Å; S793-T795 PolarHBondContact O-N 3.3Å |
| 794 | L | 92.9 | Very high | 94 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 7% | 0.073 | 29% | 0.292 | C | S | . | . | trans | -78.2 | 121.3 | -176.8 | -66.9 | 173 | 0 | 0 | 0 | 112.8 | D760 L762 T789 D791 E792 R797 | D760-L794 CarbonylContact O-C 3.58Å; D760-L794 VanDerWaalsContact O-CA 3.28Å; D760-L794 WeakPolarHBondContact O-CA 3.36Å; L762-L794 HydrophobicContact CD1-CD1 4.37Å; T789-L794 HydrophobicContact CG2-CD1 3.72Å; D791-L794 HydrophobicContact CB-CD1 4.37Å; D791-L794 HydrophobicContact CB-CG 4.25Å; D791-L794 WeakPolarHBondContact O-CB 3.35Å; D791-L794 WeakPolarHBondContact O-CG 3.38Å; D791-L794 PolarHBondContact O-N 3.38Å; D791-L794 VanDerWaalsContact O-N 3.17Å; E792-L794 PolarHBondContact O-N 2.72Å; L794-R797 HydrophobicContact CB-CB 3.91Å | ||
| 795 | T | 92.8 | Very high | 94.1 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 44% | 0.436 | 29% | 0.285 | S | S | . | . | B | Isolated β-bridge | trans | -67.3 | 137.7 | 166.6 | -58.2 | 0 | 0 | 0 | 0 | 110.4 | D760 L762 S793 R797 | D760-T795 PolarHBondContact O-N 3.09Å; L762-T795 PolarHBondContact N-O 3.44Å; S793-T795 PolarHBondContact O-N 3.3Å; T795-R797 PolarHBondContact O-N 3.49Å |
| 796 | N | 91.9 | Very high | 94.1 | Very high | 90 Ų | 90 | 50.8 Ų | 50.8 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61 | 21.8 | -177 | -72.5 | -48.8 | 0 | 0 | 0 | 114.9 | P763 N798 T801 | P763-N796 HydrophobicContact CG-CB 4.34Å; N796-N798 VanDerWaalsContact C-N 3.32Å; N796-N798 PolarHBondContact O-N 3.22Å; N796-N798 PolarHBondContact O-ND2 3.04Å; N796-T801 PolarHBondContact O-OG1 3.47Å |
| 797 | R | 94.5 | Very high | 94.1 | Very high | 70 Ų | 70 | 55.2 Ų | 55.2 | 26% | 0.264 | 29% | 0.285 | S | S | . | . | trans | -70.1 | 88.8 | 164.5 | -174.8 | -155.6 | 68.2 | 175.7 | -2.9 | 109.8 | L762 L790 L794 T795 | L762-R797 HydrophobicContact CD2-CB 4.46Å; L762-R797 HydrophobicContact CD2-CG 4.35Å; L790-R797 HydrophobicContact CD2-CG 4.47Å; L790-R797 VanDerWaalsContact O-CD 3.3Å; L790-R797 WeakPolarHBondContact O-CD 3.34Å; L790-R797 PolarHBondContact O-NH1 2.86Å; L794-R797 HydrophobicContact CB-CB 3.91Å; T795-R797 PolarHBondContact O-N 3.49Å | ||
| 798 | N | 93.8 | Very high | 94 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 24% | 0.235 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -139.3 | 171.9 | -175 | 60.2 | 37.1 | 0 | 0 | 0 | 111.1 | N796 Q800 T801 C802 | N796-N798 VanDerWaalsContact C-N 3.32Å; N796-N798 PolarHBondContact O-N 3.22Å; N796-N798 PolarHBondContact O-ND2 3.04Å; N798-Q800 VanDerWaalsContact C-N 3.3Å; N798-Q800 PolarHBondContact O-N 3.33Å; N798-Q800 PolarHBondContact OD1-N 3.39Å; N798-T801 PolarHBondContact N-OG1 2.96Å; N798-T801 PolarHBondContact O-N 3.13Å; N798-T801 PolarHBondContact O-OG1 2.95Å; N798-T801 VanDerWaalsContact O-OG1 3.07Å; N798-T801 WeakPolarHBondContact OD1-CG2 3.34Å; N798-T801 PolarHBondContact OD1-N 3.26Å; N798-T801 VanDerWaalsContact OD1-N 3.1Å; N798-T801 PolarHBondContact OD1-OG1 3.35Å; N798-C802 WeakPolarHBondContact O-CB 3.43Å; N798-C802 PolarHBondContact O-N 3.37Å; N798-C802 PolarHBondContact O-SG 2.9Å; N798-C802 VanDerWaalsContact O-SG 3.35Å |
| 799 | L | 94.2 | Very high | 93.9 | Very high | 14 Ų | 14 | 53.8 Ų | 53.8 | 7% | 0.073 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.3 | -46 | -176.4 | 176 | 61.3 | 0 | 0 | 0 | 112.8 | H420 G422 M803 F832 A835 F838 | H420-L799 VanDerWaalsContact O-CD2 3.29Å; H420-L799 WeakPolarHBondContact O-CD2 3.29Å; G422-L799 VanDerWaalsContact CA-CD2 3.45Å; L799-M803 HydrophobicContact CD1-CG 4.09Å; L799-M803 HydrophobicContact CD1-SD 3.84Å; L799-M803 HydrophobicContact CG-SD 3.94Å; L799-M803 WeakPolarHBondContact O-CB 3.24Å; L799-M803 VanDerWaalsContact O-CG 3.24Å; L799-M803 WeakPolarHBondContact O-CG 3.32Å; L799-M803 PolarHBondContact O-N 3.46Å; L799-F832 HydrophobicContact CB-CD1 4.38Å; L799-F832 HydrophobicContact CB-CE1 4.36Å; L799-F832 HydrophobicContact CD1-CB 4.43Å; L799-F832 HydrophobicContact CD1-CG 4.33Å; L799-A835 HydrophobicContact CD1-CB 3.63Å; L799-F838 HydrophobicContact CD1-CD2 4.33Å; L799-F838 HydrophobicContact CD1-CE2 3.6Å; L799-F838 HydrophobicContact CD1-CZ 4.34Å |
| 800 | Q | 93.8 | Very high | 93.6 | Very high | 107 Ų | 107 | 57.2 Ų | 57.2 | 50% | 0.5 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64 | -49.8 | -174.9 | -66 | 78.1 | 32.3 | 0 | 0 | 111.9 | N798 M803 E804 | N798-Q800 VanDerWaalsContact C-N 3.3Å; N798-Q800 PolarHBondContact O-N 3.33Å; N798-Q800 PolarHBondContact OD1-N 3.39Å; Q800-M803 WeakPolarHBondContact O-CB 3.14Å; Q800-M803 PolarHBondContact O-N 2.99Å; Q800-E804 WeakPolarHBondContact O-CG 3.5Å; Q800-E804 PolarHBondContact O-N 2.91Å |
| 801 | T | 94.9 | Very high | 93.2 | Very high | 12 Ų | 12 | 60.7 Ų | 60.7 | 7% | 0.074 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -70 | -36.1 | -178.1 | 55.2 | 0 | 0 | 0 | 0 | 111.9 | P763 N796 N798 M803 E804 V805 | P763-T801 HydrophobicContact CG-CG2 3.57Å; N796-T801 PolarHBondContact O-OG1 3.47Å; N798-T801 PolarHBondContact N-OG1 2.96Å; N798-T801 PolarHBondContact O-N 3.13Å; N798-T801 PolarHBondContact O-OG1 2.95Å; N798-T801 VanDerWaalsContact O-OG1 3.07Å; N798-T801 WeakPolarHBondContact OD1-CG2 3.34Å; N798-T801 PolarHBondContact OD1-N 3.26Å; N798-T801 VanDerWaalsContact OD1-N 3.1Å; N798-T801 PolarHBondContact OD1-OG1 3.35Å; T801-M803 VanDerWaalsContact C-N 3.3Å; T801-M803 PolarHBondContact O-N 3.17Å; T801-E804 WeakPolarHBondContact O-CB 3.41Å; T801-E804 PolarHBondContact O-N 2.95Å; T801-V805 WeakPolarHBondContact O-CG2 3.32Å; T801-V805 PolarHBondContact O-N 2.98Å |
| 802 | C | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.3 | -34.9 | 173.8 | -68.7 | 0 | 0 | 0 | 0 | 112 | N798 V805 L806 Y824 F832 F838 | N798-C802 WeakPolarHBondContact O-CB 3.43Å; N798-C802 PolarHBondContact O-N 3.37Å; N798-C802 PolarHBondContact O-SG 2.9Å; N798-C802 VanDerWaalsContact O-SG 3.35Å; C802-V805 PolarHBondContact O-N 3.18Å; C802-L806 PolarHBondContact O-N 3.35Å; C802-L806 VanDerWaalsContact O-N 3.11Å; C802-Y824 WeakPolarHBondContact O-CE1 3.38Å; C802-F832 HydrophobicContact CB-CE2 4.15Å; C802-F838 HydrophobicContact CB-CE2 4.44Å; C802-F838 HydrophobicContact CB-CZ 3.9Å |
| 803 | M | 95.9 | Very high | 92.7 | Very high | 60 Ų | 60 | 52 Ų | 52 | 30% | 0.296 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.6 | -42.4 | 172 | -73 | 172.3 | 62.3 | 0 | 0 | 111.4 | L799 Q800 T801 V805 L806 E807 A837 F838 | L799-M803 HydrophobicContact CD1-CG 4.09Å; L799-M803 HydrophobicContact CD1-SD 3.84Å; L799-M803 HydrophobicContact CG-SD 3.94Å; L799-M803 WeakPolarHBondContact O-CB 3.24Å; L799-M803 VanDerWaalsContact O-CG 3.24Å; L799-M803 WeakPolarHBondContact O-CG 3.32Å; L799-M803 PolarHBondContact O-N 3.46Å; Q800-M803 WeakPolarHBondContact O-CB 3.14Å; Q800-M803 PolarHBondContact O-N 2.99Å; T801-M803 VanDerWaalsContact C-N 3.3Å; T801-M803 PolarHBondContact O-N 3.17Å; M803-V805 VanDerWaalsContact C-N 3.29Å; M803-V805 PolarHBondContact O-N 3.19Å; M803-L806 PolarHBondContact O-N 2.93Å; M803-L806 VanDerWaalsContact O-N 3.13Å; M803-E807 WeakPolarHBondContact O-CG 3.38Å; M803-E807 PolarHBondContact O-N 3.4Å; M803-A837 HydrophobicContact CE-CB 4.03Å; M803-A837 HydrophobicContact CG-CB 3.95Å; M803-A837 HydrophobicContact SD-CB 4.16Å; M803-F838 HydrophobicContact CG-CE1 4.28Å; M803-F838 HydrophobicContact CG-CE2 4.36Å; M803-F838 HydrophobicContact CG-CZ 3.73Å |
| 804 | E | 95.1 | Very high | 92.7 | Very high | 93 Ų | 93 | 47.3 Ų | 47.3 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -36.2 | 175.5 | -70.1 | 170 | -169.9 | 0 | 0 | 112.5 | L766 Q800 T801 A808 | L766-E804 HydrophobicContact CD2-CB 4.01Å; Q800-E804 WeakPolarHBondContact O-CG 3.5Å; Q800-E804 PolarHBondContact O-N 2.91Å; T801-E804 WeakPolarHBondContact O-CB 3.41Å; T801-E804 PolarHBondContact O-N 2.95Å; E804-A808 WeakPolarHBondContact O-CB 3.49Å; E804-A808 PolarHBondContact O-N 3.22Å |
| 805 | V | 96.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -46.5 | 172.8 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L762 L766 A787 T801 C802 M803 A808 L809 Y824 | L762-V805 HydrophobicContact CD1-CG2 4.42Å; L762-V805 HydrophobicContact CG-CG2 4.44Å; L766-V805 HydrophobicContact CB-CG2 4.4Å; L766-V805 HydrophobicContact CD1-CG2 4.15Å; L766-V805 HydrophobicContact CD2-CG2 4.01Å; L766-V805 HydrophobicContact CG-CG2 4.41Å; A787-V805 HydrophobicContact CB-CG1 4.27Å; A787-V805 WeakPolarHBondContact O-CG1 3.48Å; T801-V805 WeakPolarHBondContact O-CG2 3.32Å; T801-V805 PolarHBondContact O-N 2.98Å; C802-V805 PolarHBondContact O-N 3.18Å; M803-V805 VanDerWaalsContact C-N 3.29Å; M803-V805 PolarHBondContact O-N 3.19Å; V805-A808 PolarHBondContact O-N 3.01Å; V805-L809 HydrophobicContact CG1-CD1 4.23Å; V805-L809 WeakPolarHBondContact O-CG 3.43Å; V805-L809 PolarHBondContact O-N 3.08Å; V805-Y824 HydrophobicContact CB-CE1 3.77Å; V805-Y824 WeakPolarHBondContact CB-OH 3.36Å; V805-Y824 HydrophobicContact CG1-CD1 4.15Å; V805-Y824 HydrophobicContact CG1-CE1 3.5Å; V805-Y824 HydrophobicContact CG1-CE2 4.14Å; V805-Y824 VanDerWaalsContact CG1-CZ 3.49Å |
| 806 | L | 95.6 | Very high | 92.3 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 178.1 | -178 | 63 | 0 | 0 | 0 | 111.6 | C802 M803 A808 L809 C810 A821 Y824 R825 F838 | C802-L806 PolarHBondContact O-N 3.35Å; C802-L806 VanDerWaalsContact O-N 3.11Å; M803-L806 PolarHBondContact O-N 2.93Å; M803-L806 VanDerWaalsContact O-N 3.13Å; L806-A808 VanDerWaalsContact C-N 3.33Å; L806-A808 PolarHBondContact O-N 3.18Å; L806-L809 PolarHBondContact O-N 3.11Å; L806-C810 PolarHBondContact O-N 2.95Å; L806-C810 VanDerWaalsContact O-N 3.1Å; L806-C810 PolarHBondContact O-SG 3.48Å; L806-C810 VanDerWaalsContact O-SG 3.33Å; L806-A821 HydrophobicContact CD1-CB 4.24Å; L806-Y824 HydrophobicContact CB-CD1 4.3Å; L806-Y824 HydrophobicContact CB-CE1 4.33Å; L806-Y824 HydrophobicContact CD1-CD1 4.4Å; L806-R825 HydrophobicContact CD1-CB 4.35Å; L806-R825 HydrophobicContact CD2-CG 4.49Å; L806-F838 HydrophobicContact CB-CE1 4.27Å; L806-F838 HydrophobicContact CD2-CD1 3.73Å; L806-F838 HydrophobicContact CD2-CE1 3.7Å |
| 807 | E | 93.3 | Very high | 92.2 | Very high | 116 Ų | 116 | 45.3 Ų | 45.3 | 54% | 0.542 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -58.2 | -45.1 | 173.9 | -74.7 | 176.1 | -169.5 | 0 | 0 | 111.1 | M803 L809 C810 D811 | M803-E807 WeakPolarHBondContact O-CG 3.38Å; M803-E807 PolarHBondContact O-N 3.4Å; E807-L809 VanDerWaalsContact C-N 3.32Å; E807-L809 PolarHBondContact O-N 3.43Å; E807-C810 CarbonylContact O-C 3.59Å; E807-C810 PolarHBondContact O-N 3.37Å; E807-C810 VanDerWaalsContact O-N 3.09Å; E807-D811 WeakPolarHBondContact O-CB 3.45Å; E807-D811 VanDerWaalsContact O-CG 3.3Å; E807-D811 PolarHBondContact O-N 2.83Å |
| 808 | A | 93 | Very high | 92 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -31.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L766 E804 V805 L806 C810 D811 S813 L814 | L766-A808 HydrophobicContact CD1-CB 3.91Å; E804-A808 WeakPolarHBondContact O-CB 3.49Å; E804-A808 PolarHBondContact O-N 3.22Å; V805-A808 PolarHBondContact O-N 3.01Å; L806-A808 VanDerWaalsContact C-N 3.33Å; L806-A808 PolarHBondContact O-N 3.18Å; A808-C810 VanDerWaalsContact C-N 3.31Å; A808-D811 WeakPolarHBondContact CA-OD1 3.48Å; A808-S813 PolarHBondContact O-N 3.24Å; A808-L814 VanDerWaalsContact C-CD1 3.46Å; A808-L814 HydrophobicContact CB-CD1 3.53Å; A808-L814 VanDerWaalsContact O-CD1 3.25Å; A808-L814 WeakPolarHBondContact O-CD1 3.49Å |
| 809 | L | 93.1 | Very high | 91.9 | Very high | 4 Ų | 4 | 55.6 Ų | 55.6 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.6 | -30.4 | 173.4 | -67.9 | 166.9 | 0 | 0 | 0 | 111.8 | I784 T788 V805 L806 E807 L814 C817 A821 Y824 | I784-L809 HydrophobicContact CG1-CD2 4.41Å; I784-L809 HydrophobicContact CG2-CD2 4.5Å; T788-L809 HydrophobicContact CG2-CD1 3.86Å; T788-L809 HydrophobicContact CG2-CD2 4.33Å; V805-L809 HydrophobicContact CG1-CD1 4.23Å; V805-L809 WeakPolarHBondContact O-CG 3.43Å; V805-L809 PolarHBondContact O-N 3.08Å; L806-L809 PolarHBondContact O-N 3.11Å; E807-L809 VanDerWaalsContact C-N 3.32Å; E807-L809 PolarHBondContact O-N 3.43Å; L809-L814 HydrophobicContact CD2-CD1 4.3Å; L809-L814 HydrophobicContact CD2-CD2 4.47Å; L809-C817 HydrophobicContact CB-CB 4.32Å; L809-C817 HydrophobicContact CD2-CB 3.87Å; L809-A821 HydrophobicContact CB-CB 3.97Å; L809-A821 HydrophobicContact CD1-CB 4.45Å; L809-Y824 HydrophobicContact CD1-CD1 3.99Å; L809-Y824 HydrophobicContact CD1-CG 4.14Å |
| 810 | C | 89.5 | Confident | 91.8 | Very high | 92 Ų | 92 | 56.2 Ų | 56.2 | 62% | 0.622 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -89.2 | -33 | -178.2 | -70 | 0 | 0 | 0 | 0 | 113.7 | L806 E807 A808 G812 | L806-C810 PolarHBondContact O-N 2.95Å; L806-C810 VanDerWaalsContact O-N 3.1Å; L806-C810 PolarHBondContact O-SG 3.48Å; L806-C810 VanDerWaalsContact O-SG 3.33Å; E807-C810 CarbonylContact O-C 3.59Å; E807-C810 PolarHBondContact O-N 3.37Å; E807-C810 VanDerWaalsContact O-N 3.09Å; A808-C810 VanDerWaalsContact C-N 3.31Å; C810-G812 VanDerWaalsContact C-N 3.28Å; C810-G812 PolarHBondContact O-N 3.18Å |
| 811 | D | 84.4 | Confident | 91.8 | Very high | 103 Ų | 103 | 51.6 Ų | 51.6 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -3.8 | -174.6 | 76 | 2.4 | 0 | 0 | 0 | 114.1 | E807 A808 S813 | E807-D811 WeakPolarHBondContact O-CB 3.45Å; E807-D811 VanDerWaalsContact O-CG 3.3Å; E807-D811 PolarHBondContact O-N 2.83Å; A808-D811 WeakPolarHBondContact CA-OD1 3.48Å; D811-S813 VanDerWaalsContact CG-OG 3.29Å; D811-S813 WeakPolarHBondContact OD1-CB 3.48Å; D811-S813 PolarHBondContact OD1-N 3.12Å; D811-S813 PolarHBondContact OD1-OG 3.04Å; D811-S813 PolarHBondContact OD2-OG 3.01Å |
| 812 | G | 85.7 | Confident | 91.8 | Very high | 38 Ų | 38 | 54.8 Ų | 54.8 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.6 | 3.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.7 | C810 L814 G815 | C810-G812 VanDerWaalsContact C-N 3.28Å; C810-G812 PolarHBondContact O-N 3.18Å; G812-L814 PolarHBondContact O-N 2.9Å; G812-L814 VanDerWaalsContact O-N 3.1Å; G812-G815 PolarHBondContact O-N 3Å |
| 813 | S | 88.1 | Confident | 91.7 | Very high | 42 Ų | 42 | 59.1 Ų | 59.1 | 29% | 0.294 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -23.9 | 175 | -67.1 | 0 | 0 | 0 | 0 | 113.2 | Y773 A808 D811 | Y773-S813 VanDerWaalsContact CD1-O 3.29Å; Y773-S813 WeakPolarHBondContact CD1-O 3.39Å; A808-S813 PolarHBondContact O-N 3.24Å; D811-S813 VanDerWaalsContact CG-OG 3.29Å; D811-S813 WeakPolarHBondContact OD1-CB 3.48Å; D811-S813 PolarHBondContact OD1-N 3.12Å; D811-S813 PolarHBondContact OD1-OG 3.04Å; D811-S813 PolarHBondContact OD2-OG 3.01Å |
| 814 | L | 90.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115 | 16.4 | 173.6 | -61.6 | 99.5 | 0 | 0 | 0 | 113 | A769 Q780 A783 A787 A808 L809 G812 C817 | A769-L814 HydrophobicContact CB-CD2 4.31Å; Q780-L814 VanDerWaalsContact CD-O 3.26Å; Q780-L814 WeakPolarHBondContact CG-O 3.31Å; Q780-L814 PolarHBondContact NE2-O 3.3Å; A783-L814 HydrophobicContact CB-CD2 4.15Å; A787-L814 HydrophobicContact CB-CD2 4.14Å; A808-L814 VanDerWaalsContact C-CD1 3.46Å; A808-L814 HydrophobicContact CB-CD1 3.53Å; A808-L814 VanDerWaalsContact O-CD1 3.25Å; A808-L814 WeakPolarHBondContact O-CD1 3.49Å; L809-L814 HydrophobicContact CD2-CD1 4.3Å; L809-L814 HydrophobicContact CD2-CD2 4.47Å; G812-L814 PolarHBondContact O-N 2.9Å; G812-L814 VanDerWaalsContact O-N 3.1Å; L814-C817 PolarHBondContact O-SG 3.12Å |
| 815 | G | 88.6 | Confident | 91.8 | Very high | 11 Ų | 11 | 53.5 Ų | 53.5 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 81.3 | -161.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y773 G812 C817 | Y773-G815 VanDerWaalsContact OH-CA 3.28Å; Y773-G815 WeakPolarHBondContact OH-CA 3.17Å; G812-G815 PolarHBondContact O-N 3Å; G815-C817 PolarHBondContact O-N 3.22Å; G815-C817 PolarHBondContact O-SG 3.12Å |
| 816 | D | 89.9 | Confident | 91.7 | Very high | 115 Ų | 115 | 55.2 Ų | 55.2 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -77.6 | 105.3 | 178.4 | -163.5 | -6.8 | 0 | 0 | 0 | 110.1 | Q780 K818 | Q780-D816 PolarHBondContact NE2-O 3.42Å; Q780-D816 VanDerWaalsContact NE2-O 3.09Å; D816-K818 WeakPolarHBondContact OD1-CD 3.11Å; D816-K818 WeakPolarHBondContact OD1-CE 3.34Å; D816-K818 WeakPolarHBondContact OD1-CG 3.47Å; D816-K818 IonicContact OD1-NZ 3.54Å; D816-K818 IonicContact OD2-NZ 2.96Å |
| 817 | C | 90 | Very high | 91.8 | Very high | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | trans | -123.8 | 21.8 | -171.5 | -57.8 | 0 | 0 | 0 | 0 | 113.2 | Q780 I784 L809 L814 G815 E819 A820 A821 | Q780-C817 PolarHBondContact NE2-SG 2.74Å; I784-C817 HydrophobicContact CD1-CB 4.38Å; L809-C817 HydrophobicContact CB-CB 4.32Å; L809-C817 HydrophobicContact CD2-CB 3.87Å; L814-C817 PolarHBondContact O-SG 3.12Å; G815-C817 PolarHBondContact O-N 3.22Å; G815-C817 PolarHBondContact O-SG 3.12Å; C817-E819 VanDerWaalsContact C-N 3.31Å; C817-E819 PolarHBondContact O-N 2.89Å; C817-A820 HydrophobicContact CB-CB 4.45Å; C817-A820 CarbonylContact O-C 3.24Å; C817-A820 PolarHBondContact O-N 3.18Å; C817-A821 WeakPolarHBondContact O-CB 3.5Å; C817-A821 PolarHBondContact O-N 3.3Å | ||
| 818 | K | 90.1 | Very high | 91.9 | Very high | 158 Ų | 158 | 51.6 Ų | 51.6 | 69% | 0.687 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -52.4 | -43.7 | -170.6 | -69.1 | 166.8 | -169.4 | 156.6 | 0 | 114 | D816 A821 E822 | D816-K818 WeakPolarHBondContact OD1-CD 3.11Å; D816-K818 WeakPolarHBondContact OD1-CE 3.34Å; D816-K818 WeakPolarHBondContact OD1-CG 3.47Å; D816-K818 IonicContact OD1-NZ 3.54Å; D816-K818 IonicContact OD2-NZ 2.96Å; K818-A821 PolarHBondContact O-N 3.3Å; K818-E822 PolarHBondContact O-N 2.98Å; K818-E822 VanDerWaalsContact O-N 3.1Å |
| 819 | E | 90.8 | Very high | 92 | Very high | 173 Ų | 173 | 54.1 Ų | 54.1 | 81% | 0.808 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.2 | -45.2 | 177.9 | -64 | -173.3 | 172.2 | 0 | 0 | 112 | C817 A821 E822 V823 | C817-E819 VanDerWaalsContact C-N 3.31Å; C817-E819 PolarHBondContact O-N 2.89Å; E819-A821 VanDerWaalsContact C-N 3.33Å; E819-A821 PolarHBondContact O-N 3.21Å; E819-E822 PolarHBondContact O-N 3.28Å; E819-V823 WeakPolarHBondContact O-CG2 3.46Å; E819-V823 PolarHBondContact O-N 2.98Å; E819-V823 VanDerWaalsContact O-N 3.1Å |
| 820 | A | 92.9 | Very high | 92.1 | Very high | 27 Ų | 27 | 61.4 Ų | 61.4 | 22% | 0.223 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.1 | -35.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I784 C817 V823 Y824 | I784-A820 HydrophobicContact CD1-CB 4.33Å; I784-A820 HydrophobicContact CG2-CB 3.79Å; C817-A820 HydrophobicContact CB-CB 4.45Å; C817-A820 CarbonylContact O-C 3.24Å; C817-A820 PolarHBondContact O-N 3.18Å; A820-V823 PolarHBondContact O-N 3.16Å; A820-Y824 VanDerWaalsContact O-CB 3.26Å; A820-Y824 WeakPolarHBondContact O-CB 3.47Å; A820-Y824 PolarHBondContact O-N 2.87Å |
| 821 | A | 93.7 | Very high | 92.3 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 7% | 0.074 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.4 | -42.9 | 175 | 0 | 0 | 0 | 0 | 0 | 111.3 | L806 L809 C817 K818 E819 Y824 R825 | L806-A821 HydrophobicContact CD1-CB 4.24Å; L809-A821 HydrophobicContact CB-CB 3.97Å; L809-A821 HydrophobicContact CD1-CB 4.45Å; C817-A821 WeakPolarHBondContact O-CB 3.5Å; C817-A821 PolarHBondContact O-N 3.3Å; K818-A821 PolarHBondContact O-N 3.3Å; E819-A821 VanDerWaalsContact C-N 3.33Å; E819-A821 PolarHBondContact O-N 3.21Å; A821-Y824 PolarHBondContact O-N 3.11Å; A821-R825 VanDerWaalsContact O-CB 3.28Å; A821-R825 WeakPolarHBondContact O-CB 3.45Å; A821-R825 PolarHBondContact O-N 3.46Å |
| 822 | E | 94 | Very high | 92.8 | Very high | 80 Ų | 80 | 57.4 Ų | 57.4 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 178.1 | -177.8 | 54.1 | -154.5 | 0 | 0 | 112.2 | K818 E819 Y824 R825 A826 | K818-E822 PolarHBondContact O-N 2.98Å; K818-E822 VanDerWaalsContact O-N 3.1Å; E819-E822 PolarHBondContact O-N 3.28Å; E822-Y824 PolarHBondContact O-N 3.08Å; E822-R825 PolarHBondContact O-N 2.76Å; E822-R825 IonicContact OE1-CZ 3.71Å; E822-R825 VanDerWaalsContact OE1-CZ 3.3Å; E822-R825 IonicContact OE1-NE 2.76Å; E822-R825 PolarHBondContact OE1-NE 3.09Å; E822-R825 VanDerWaalsContact OE1-NE 3.12Å; E822-R825 IonicContact OE1-NH2 2.81Å; E822-R825 PolarHBondContact OE1-NH2 3.3Å; E822-R825 IonicContact OE2-CZ 2.73Å; E822-R825 IonicContact OE2-NE 3.15Å; E822-R825 PolarHBondContact OE2-NE 3.07Å; E822-R825 IonicContact OE2-NH2 3.29Å; E822-A826 WeakPolarHBondContact O-CB 3.48Å; E822-A826 PolarHBondContact O-N 3.17Å |
| 823 | V | 95.3 | Very high | 93.2 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 55% | 0.545 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 173.4 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | E819 A820 A826 N827 | E819-V823 WeakPolarHBondContact O-CG2 3.46Å; E819-V823 PolarHBondContact O-N 2.98Å; E819-V823 VanDerWaalsContact O-N 3.1Å; A820-V823 PolarHBondContact O-N 3.16Å; V823-A826 PolarHBondContact O-N 3.2Å; V823-N827 PolarHBondContact O-N 3Å; V823-N827 PolarHBondContact O-ND2 3.02Å |
| 824 | Y | 95.9 | Very high | 93.5 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 2% | 0.02 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 178.8 | -174.4 | -106.4 | 0 | 0 | 0 | 111.7 | T788 L790 C802 V805 L806 L809 A820 A821 E822 A826 N827 C828 | T788-Y824 HydrophobicContact CG2-CD2 3.81Å; T788-Y824 HydrophobicContact CG2-CE2 4.37Å; T788-Y824 HydrophobicContact CG2-CG 4.11Å; L790-Y824 HydrophobicContact CD1-CD2 4.27Å; L790-Y824 HydrophobicContact CD1-CE2 3.93Å; L790-Y824 HydrophobicContact CD2-CE2 3.75Å; L790-Y824 HydrophobicContact CG-CE2 3.83Å; C802-Y824 WeakPolarHBondContact O-CE1 3.38Å; V805-Y824 HydrophobicContact CB-CE1 3.77Å; V805-Y824 WeakPolarHBondContact CB-OH 3.36Å; V805-Y824 HydrophobicContact CG1-CD1 4.15Å; V805-Y824 HydrophobicContact CG1-CE1 3.5Å; V805-Y824 HydrophobicContact CG1-CE2 4.14Å; V805-Y824 VanDerWaalsContact CG1-CZ 3.49Å; L806-Y824 HydrophobicContact CB-CD1 4.3Å; L806-Y824 HydrophobicContact CB-CE1 4.33Å; L806-Y824 HydrophobicContact CD1-CD1 4.4Å; L809-Y824 HydrophobicContact CD1-CD1 3.99Å; L809-Y824 HydrophobicContact CD1-CG 4.14Å; A820-Y824 VanDerWaalsContact O-CB 3.26Å; A820-Y824 WeakPolarHBondContact O-CB 3.47Å; A820-Y824 PolarHBondContact O-N 2.87Å; A821-Y824 PolarHBondContact O-N 3.11Å; E822-Y824 PolarHBondContact O-N 3.08Å; Y824-A826 PolarHBondContact O-N 3.21Å; Y824-N827 PolarHBondContact O-N 3.3Å; Y824-C828 WeakPolarHBondContact CE1-SG 3.32Å; Y824-C828 WeakPolarHBondContact O-CB 3.32Å; Y824-C828 PolarHBondContact O-N 3.46Å; Y824-C828 PolarHBondContact O-SG 3.47Å |
| 825 | R | 96.4 | Very high | 93.7 | Very high | 30 Ų | 30 | 60.3 Ų | 60.3 | 11% | 0.113 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.3 | -49.6 | 173.4 | -174.4 | -153.5 | 64 | 71.9 | -2.3 | 111.1 | L806 A821 E822 N827 C828 H829 F838 M839 | L806-R825 HydrophobicContact CD1-CB 4.35Å; L806-R825 HydrophobicContact CD2-CG 4.49Å; A821-R825 VanDerWaalsContact O-CB 3.28Å; A821-R825 WeakPolarHBondContact O-CB 3.45Å; A821-R825 PolarHBondContact O-N 3.46Å; E822-R825 PolarHBondContact O-N 2.76Å; E822-R825 IonicContact OE1-CZ 3.71Å; E822-R825 VanDerWaalsContact OE1-CZ 3.3Å; E822-R825 IonicContact OE1-NE 2.76Å; E822-R825 PolarHBondContact OE1-NE 3.09Å; E822-R825 VanDerWaalsContact OE1-NE 3.12Å; E822-R825 IonicContact OE1-NH2 2.81Å; E822-R825 PolarHBondContact OE1-NH2 3.3Å; E822-R825 IonicContact OE2-CZ 2.73Å; E822-R825 IonicContact OE2-NE 3.15Å; E822-R825 PolarHBondContact OE2-NE 3.07Å; E822-R825 IonicContact OE2-NH2 3.29Å; R825-N827 VanDerWaalsContact C-N 3.32Å; R825-N827 PolarHBondContact O-N 3.35Å; R825-C828 PolarHBondContact O-N 3.44Å; R825-H829 WeakPolarHBondContact O-CB 3.49Å; R825-H829 PolarHBondContact O-N 3.36Å; R825-F838 HydrophobicContact CG-CB 4.39Å; R825-F838 HydrophobicContact CG-CD1 4.5Å; R825-F838 PolarHBondContact NH1-O 3.38Å; R825-M839 PolarHBondContact NH1-O 3.46Å; R825-M839 VanDerWaalsContact NH1-O 3.16Å |
| 826 | A | 95.5 | Very high | 94 | Very high | 36 Ų | 36 | 62 Ų | 62 | 30% | 0.298 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.5 | -36.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E822 V823 Y824 | E822-A826 WeakPolarHBondContact O-CB 3.48Å; E822-A826 PolarHBondContact O-N 3.17Å; V823-A826 PolarHBondContact O-N 3.2Å; Y824-A826 PolarHBondContact O-N 3.21Å |
| 827 | N | 96.1 | Very high | 94.1 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 34% | 0.342 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -72.1 | -41.1 | 175.3 | -70.6 | -30.4 | 0 | 0 | 0 | 112.3 | L790 V823 Y824 R825 H829 K830 L831 | L790-N827 HydrophobicContact CD1-CB 3.79Å; V823-N827 PolarHBondContact O-N 3Å; V823-N827 PolarHBondContact O-ND2 3.02Å; Y824-N827 PolarHBondContact O-N 3.3Å; R825-N827 VanDerWaalsContact C-N 3.32Å; R825-N827 PolarHBondContact O-N 3.35Å; N827-H829 VanDerWaalsContact C-N 3.29Å; N827-H829 PolarHBondContact O-N 2.86Å; N827-K830 WeakPolarHBondContact O-CB 3.44Å; N827-K830 PolarHBondContact O-N 3.24Å; N827-L831 PolarHBondContact O-N 3.04Å |
| 828 | C | 95.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.8 | -33.8 | 174.2 | -74 | 0 | 0 | 0 | 0 | 112.3 | Y824 R825 K830 L831 F832 F838 | Y824-C828 WeakPolarHBondContact CE1-SG 3.32Å; Y824-C828 WeakPolarHBondContact O-CB 3.32Å; Y824-C828 PolarHBondContact O-N 3.46Å; Y824-C828 PolarHBondContact O-SG 3.47Å; R825-C828 PolarHBondContact O-N 3.44Å; C828-K830 VanDerWaalsContact C-N 3.29Å; C828-K830 PolarHBondContact O-N 3.31Å; C828-L831 PolarHBondContact O-N 3.32Å; C828-L831 VanDerWaalsContact O-N 3.14Å; C828-F832 PolarHBondContact O-N 2.63Å; C828-F838 HydrophobicContact CB-CB 4.28Å; C828-F838 HydrophobicContact CB-CD1 3.63Å; C828-F838 HydrophobicContact CB-CD2 3.64Å; C828-F838 HydrophobicContact CB-CE1 3.76Å; C828-F838 HydrophobicContact CB-CE2 3.77Å; C828-F838 HydrophobicContact CB-CG 3.58Å; C828-F838 HydrophobicContact CB-CZ 3.84Å |
| 829 | H | 95.9 | Very high | 94.4 | Very high | 54 Ų | 54 | 52.3 Ų | 52.3 | 25% | 0.25 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 174.8 | -174.2 | 52.9 | 0 | 0 | 0 | 112.3 | R825 N827 L831 F832 P833 F838 M839 | R825-H829 WeakPolarHBondContact O-CB 3.49Å; R825-H829 PolarHBondContact O-N 3.36Å; N827-H829 VanDerWaalsContact C-N 3.29Å; N827-H829 PolarHBondContact O-N 2.86Å; H829-L831 VanDerWaalsContact C-N 3.3Å; H829-L831 PolarHBondContact O-N 2.88Å; H829-F832 CarbonylContact O-C 3.57Å; H829-F832 VanDerWaalsContact O-C 3.25Å; H829-F832 PolarHBondContact O-N 3.32Å; H829-P833 PolarHBondContact CE1-O 3.26Å; H829-P833 VanDerWaalsContact O-CA 3.24Å; H829-P833 WeakPolarHBondContact O-CA 3.27Å; H829-F838 HydrophobicContact CB-CB 4.08Å; H829-F838 WeakPolarHBondContact CB-O 3.48Å; H829-M839 PolarHBondContact CE1-SD 3.07Å |
| 830 | K | 94.8 | Very high | 94.3 | Very high | 156 Ų | 156 | 46.9 Ų | 46.9 | 68% | 0.678 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -64.4 | -35.2 | 176.1 | -63.2 | 172.2 | -175 | 168.6 | 0 | 112.4 | N827 C828 | N827-K830 WeakPolarHBondContact O-CB 3.44Å; N827-K830 PolarHBondContact O-N 3.24Å; C828-K830 VanDerWaalsContact C-N 3.29Å; C828-K830 PolarHBondContact O-N 3.31Å |
| 831 | L | 93.6 | Very high | 93.7 | Very high | 70 Ų | 70 | 50.5 Ų | 50.5 | 37% | 0.366 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -80.8 | -33.1 | 179 | -66.4 | 179.6 | 0 | 0 | 0 | 112.8 | L790 N827 C828 H829 | L790-L831 HydrophobicContact CB-CD1 4.04Å; L790-L831 HydrophobicContact CD1-CD1 4.07Å; L790-L831 HydrophobicContact CD2-CD1 4.15Å; L790-L831 HydrophobicContact CG-CD1 4.32Å; N827-L831 PolarHBondContact O-N 3.04Å; C828-L831 PolarHBondContact O-N 3.32Å; C828-L831 VanDerWaalsContact O-N 3.14Å; H829-L831 VanDerWaalsContact C-N 3.3Å; H829-L831 PolarHBondContact O-N 2.88Å |
| 832 | F | 95.3 | Very high | 92.2 | Very high | 42 Ų | 42 | 53.8 Ų | 53.8 | 18% | 0.184 | 31% | 0.31 | C | S | . | . | trans | -128.2 | 74.4 | -178.4 | -51.7 | -70 | 0 | 0 | 0 | 110 | L799 C802 C828 H829 Y834 A835 F838 | L799-F832 HydrophobicContact CB-CD1 4.38Å; L799-F832 HydrophobicContact CB-CE1 4.36Å; L799-F832 HydrophobicContact CD1-CB 4.43Å; L799-F832 HydrophobicContact CD1-CG 4.33Å; C802-F832 HydrophobicContact CB-CE2 4.15Å; C828-F832 PolarHBondContact O-N 2.63Å; H829-F832 CarbonylContact O-C 3.57Å; H829-F832 VanDerWaalsContact O-C 3.25Å; H829-F832 PolarHBondContact O-N 3.32Å; F832-Y834 PolarHBondContact O-N 3.34Å; F832-Y834 VanDerWaalsContact O-N 3.1Å; F832-A835 HydrophobicContact CB-CB 3.88Å; F832-A835 PolarHBondContact O-N 2.79Å; F832-A835 VanDerWaalsContact O-N 3.08Å; F832-F838 HydrophobicContact CB-CD2 4.09Å; F832-F838 HydrophobicContact CB-CE2 4.33Å; F832-F838 HydrophobicContact CD2-CD2 4.12Å; F832-F838 AromaticContact CD2-CE2 3.69Å; F832-F838 HydrophobicContact CD2-CE2 3.69Å; F832-F838 HydrophobicContact CE2-CE2 4.47Å; F832-F838 HydrophobicContact CG-CE2 4.34Å | ||
| 833 | P | 94.1 | Very high | 91.1 | Very high | 63 Ų | 63 | 55.7 Ų | 55.7 | 41% | 0.409 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -26.1 | -170.8 | -25.1 | 35.5 | 0 | 0 | 0 | 114.2 | H829 M839 | H829-P833 PolarHBondContact CE1-O 3.26Å; H829-P833 VanDerWaalsContact O-CA 3.24Å; H829-P833 WeakPolarHBondContact O-CA 3.27Å; P833-M839 WeakPolarHBondContact O-CE 3.24Å |
| 834 | Y | 94.1 | Very high | 89.3 | Confident | 76 Ų | 76 | 59.1 Ų | 59.1 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -8.7 | -177.6 | -51.5 | -79.2 | 0 | 0 | 0 | 113.5 | P390 L394 Y418 A421 N423 F832 L836 | P390-Y834 HydrophobicContact CB-CD2 4.33Å; P390-Y834 HydrophobicContact CB-CE2 4.2Å; L394-Y834 HydrophobicContact CD1-CE1 4.08Å; Y418-Y834 HydrophobicContact CE1-CD1 4.41Å; A421-Y834 HydrophobicContact CB-CD2 4.06Å; A421-Y834 HydrophobicContact CB-CG 4.2Å; A421-Y834 CarbonylContact O-C 3.57Å; N423-Y834 WeakPolarHBondContact CB-O 3.47Å; F832-Y834 PolarHBondContact O-N 3.34Å; F832-Y834 VanDerWaalsContact O-N 3.1Å; Y834-L836 PolarHBondContact O-N 2.85Å |
| 835 | A | 95.6 | Very high | 87.4 | Confident | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | trans | -79.6 | 118.5 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112 | A421 L799 F832 A837 F838 M839 | A421-A835 WeakPolarHBondContact O-CA 3.39Å; A421-A835 PolarHBondContact O-N 3.11Å; L799-A835 HydrophobicContact CD1-CB 3.63Å; F832-A835 HydrophobicContact CB-CB 3.88Å; F832-A835 PolarHBondContact O-N 2.79Å; F832-A835 VanDerWaalsContact O-N 3.08Å; A835-A837 PolarHBondContact O-N 3.37Å; A835-F838 HydrophobicContact CB-CD2 3.75Å; A835-F838 HydrophobicContact CB-CE2 4.3Å; A835-F838 PolarHBondContact O-N 3.34Å; A835-M839 PolarHBondContact O-N 3.34Å | ||
| 836 | L | 93.6 | Very high | 84.8 | Confident | 48 Ų | 48 | 67.1 Ų | 67.1 | 25% | 0.251 | 37% | 0.368 | S | S | . | . | G | 310 helix | trans | -58.5 | -34.8 | 179.6 | -66.7 | 174.3 | 0 | 0 | 0 | 112.7 | G422 N423 K425 Y834 F838 M839 Y843 | G422-L836 PolarHBondContact O-N 3.09Å; G422-L836 VanDerWaalsContact O-N 3.09Å; N423-L836 HydrophobicContact CB-CG 4.38Å; K425-L836 HydrophobicContact CB-CD1 4.39Å; K425-L836 HydrophobicContact CD-CD1 4.13Å; K425-L836 HydrophobicContact CG-CD1 4.05Å; Y834-L836 PolarHBondContact O-N 2.85Å; L836-F838 PolarHBondContact O-N 2.72Å; L836-F838 VanDerWaalsContact O-N 3.12Å; L836-M839 PolarHBondContact O-N 2.74Å; L836-Y843 HydrophobicContact CD2-CE1 4.25Å |
| 837 | A | 91.8 | Very high | 82.7 | Confident | 43 Ų | 43 | 71.5 Ų | 71.5 | 36% | 0.355 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -60.8 | -20.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | M803 A835 | M803-A837 HydrophobicContact CE-CB 4.03Å; M803-A837 HydrophobicContact CG-CB 3.95Å; M803-A837 HydrophobicContact SD-CB 4.16Å; A835-A837 PolarHBondContact O-N 3.37Å |
| 838 | F | 94.9 | Very high | 80.4 | Confident | 0 Ų | 0 | 77.6 Ų | 77.6 | 0% | 0 | 41% | 0.408 | C | S | . | . | G | 310 helix | trans | -114.8 | 6.3 | -178 | -51.8 | -47.1 | 0 | 0 | 0 | 113.3 | L799 C802 M803 L806 R825 C828 H829 F832 A835 L836 | L799-F838 HydrophobicContact CD1-CD2 4.33Å; L799-F838 HydrophobicContact CD1-CE2 3.6Å; L799-F838 HydrophobicContact CD1-CZ 4.34Å; C802-F838 HydrophobicContact CB-CE2 4.44Å; C802-F838 HydrophobicContact CB-CZ 3.9Å; M803-F838 HydrophobicContact CG-CE1 4.28Å; M803-F838 HydrophobicContact CG-CE2 4.36Å; M803-F838 HydrophobicContact CG-CZ 3.73Å; L806-F838 HydrophobicContact CB-CE1 4.27Å; L806-F838 HydrophobicContact CD2-CD1 3.73Å; L806-F838 HydrophobicContact CD2-CE1 3.7Å; R825-F838 HydrophobicContact CG-CB 4.39Å; R825-F838 HydrophobicContact CG-CD1 4.5Å; R825-F838 PolarHBondContact NH1-O 3.38Å; C828-F838 HydrophobicContact CB-CB 4.28Å; C828-F838 HydrophobicContact CB-CD1 3.63Å; C828-F838 HydrophobicContact CB-CD2 3.64Å; C828-F838 HydrophobicContact CB-CE1 3.76Å; C828-F838 HydrophobicContact CB-CE2 3.77Å; C828-F838 HydrophobicContact CB-CG 3.58Å; C828-F838 HydrophobicContact CB-CZ 3.84Å; H829-F838 HydrophobicContact CB-CB 4.08Å; H829-F838 WeakPolarHBondContact CB-O 3.48Å; F832-F838 HydrophobicContact CB-CD2 4.09Å; F832-F838 HydrophobicContact CB-CE2 4.33Å; F832-F838 HydrophobicContact CD2-CD2 4.12Å; F832-F838 AromaticContact CD2-CE2 3.69Å; F832-F838 HydrophobicContact CD2-CE2 3.69Å; F832-F838 HydrophobicContact CE2-CE2 4.47Å; F832-F838 HydrophobicContact CG-CE2 4.34Å; A835-F838 HydrophobicContact CB-CD2 3.75Å; A835-F838 HydrophobicContact CB-CE2 4.3Å; A835-F838 PolarHBondContact O-N 3.34Å; L836-F838 PolarHBondContact O-N 2.72Å; L836-F838 VanDerWaalsContact O-N 3.12Å |
| 839 | M | 92 | Very high | 78.3 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 15% | 0.153 | 42% | 0.419 | C | S | . | . | S | Bend | trans | -66.8 | 152.4 | 176.5 | -71.6 | -66.9 | -174.8 | 0 | 0 | 111.8 | R825 H829 P833 A835 L836 Y843 | R825-M839 PolarHBondContact NH1-O 3.46Å; R825-M839 VanDerWaalsContact NH1-O 3.16Å; H829-M839 PolarHBondContact CE1-SD 3.07Å; P833-M839 WeakPolarHBondContact O-CE 3.24Å; A835-M839 PolarHBondContact O-N 3.34Å; L836-M839 PolarHBondContact O-N 2.74Å; M839-Y843 HydrophobicContact CB-CD1 3.91Å; M839-Y843 HydrophobicContact CB-CG 4.14Å; M839-Y843 HydrophobicContact CE-CE1 4.27Å; M839-Y843 HydrophobicContact CG-CD1 3.79Å; M839-Y843 HydrophobicContact CG-CE1 4.05Å; M839-Y843 HydrophobicContact CG-CG 4.33Å; M839-Y843 HydrophobicContact SD-CD1 4.34Å; M839-Y843 HydrophobicContact SD-CE1 4.29Å |
| 840 | P | 89 | Confident | 76.1 | Confident | 59 Ų | 59 | 80.4 Ų | 80.4 | 38% | 0.383 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -58.3 | 148.8 | 174.3 | -23.7 | 34.2 | 0 | 0 | 0 | 112.9 | G842 Y843 | P840-G842 PolarHBondContact O-N 3.49Å; P840-Y843 WeakPolarHBondContact O-CB 3.37Å; P840-Y843 PolarHBondContact O-N 3.32Å |
| 841 | P | 79.9 | Confident | 74 | Confident | 104 Ų | 104 | 74.5 Ų | 74.5 | 68% | 0.675 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 135.6 | 173.4 | -20.4 | 31 | 0 | 0 | 0 | 111.2 | ||
| 842 | G | 62.4 | Low | 72.1 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 80% | 0.804 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.4 | 3.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | P840 E844 | P840-G842 PolarHBondContact O-N 3.49Å; G842-E844 PolarHBondContact O-N 3.36Å |
| 843 | Y | 71.1 | Confident | 69.8 | Low | 120 Ų | 120 | 75.8 Ų | 75.8 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | trans | -66.4 | 101.1 | 166.1 | -178 | -106.6 | 0 | 0 | 0 | 109.8 | L836 M839 P840 E845 | L836-Y843 HydrophobicContact CD2-CE1 4.25Å; M839-Y843 HydrophobicContact CB-CD1 3.91Å; M839-Y843 HydrophobicContact CB-CG 4.14Å; M839-Y843 HydrophobicContact CE-CE1 4.27Å; M839-Y843 HydrophobicContact CG-CD1 3.79Å; M839-Y843 HydrophobicContact CG-CE1 4.05Å; M839-Y843 HydrophobicContact CG-CG 4.33Å; M839-Y843 HydrophobicContact SD-CD1 4.34Å; M839-Y843 HydrophobicContact SD-CE1 4.29Å; P840-Y843 WeakPolarHBondContact O-CB 3.37Å; P840-Y843 PolarHBondContact O-N 3.32Å; Y843-E845 HydrophobicContact CD1-CG 4.46Å; Y843-E845 HydrophobicContact CE1-CG 3.54Å | ||
| 844 | E | 57.1 | Low | 67 | Low | 162 Ų | 162 | 77.9 Ų | 77.9 | 76% | 0.757 | 43% | 0.428 | S | S | * | . | trans | -96.3 | 120.8 | 166.2 | -69.2 | -171.4 | 165.4 | 0 | 0 | 108.3 | G842 D846 | G842-E844 PolarHBondContact O-N 3.36Å; E844-D846 PolarHBondContact O-N 3.49Å | ||
| 845 | E | 56.7 | Low | 64.4 | Low | 52 Ų | 52 | 77.9 Ų | 77.9 | 24% | 0.243 | 44% | 0.439 | C | S | . | . | trans | -72 | 108.6 | 161.5 | -78.3 | 173.7 | 159.1 | 0 | 0 | 106.9 | N423 K425 Y843 M847 | N423-E845 PolarHBondContact ND2-OE1 2.8Å; K425-E845 WeakPolarHBondContact CD-OE2 3.25Å; Y843-E845 HydrophobicContact CD1-CG 4.46Å; Y843-E845 HydrophobicContact CE1-CG 3.54Å; E845-M847 PolarHBondContact O-N 3.23Å | ||
| 846 | D | 41.8 | Very low | 61.3 | Low | 151 Ų | 151 | 82.3 Ų | 82.3 | 81% | 0.807 | 47% | 0.47 | S | S | * | . | trans | -66.2 | 58.1 | 174.2 | -89.4 | -31.8 | 0 | 0 | 0 | 111.8 | E844 | E844-D846 PolarHBondContact O-N 3.49Š| ||
| 847 | M | 50.8 | Low | 58.2 | Low | 127 Ų | 127 | 84.6 Ų | 84.6 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | trans | -145.1 | 114.8 | -176.6 | -62.4 | -169.7 | -166.2 | 0 | 0 | 113.2 | R429 E845 | R429-M847 PolarHBondContact NH1-SD 3.14Å; R429-M847 VanDerWaalsContact NH1-SD 3.43Å; E845-M847 PolarHBondContact O-N 3.23Å | ||
| 848 | K | 49.1 | Very low | 55.1 | Low | 193 Ų | 193 | 90.7 Ų | 90.7 | 84% | 0.839 | 52% | 0.517 | S | S | * | . | trans | -81.1 | 120.3 | 166.3 | -74.2 | 179.5 | -179.5 | 171.6 | 0 | 109 | T850 | K848-T850 PolarHBondContact O-N 3.01Š| ||
| 849 | I | 51.3 | Low | 52 | Low | 48 Ų | 48 | 95.9 Ų | 95.9 | 25% | 0.246 | 56% | 0.56 | C | S | . | * | trans | -77.5 | 102.4 | 166.3 | -62.2 | 169.8 | 0 | 0 | 0 | 106.9 | A428 L457 | A428-I849 HydrophobicContact CB-CD1 4.44Å; L457-I849 HydrophobicContact CD1-CD1 3.74Å | ||
| 850 | T | 49.7 | Very low | 49 | Very low | 64 Ų | 64 | 102.4 Ų | 102.4 | 39% | 0.393 | 59% | 0.59 | S | S | . | * | trans | -86.9 | 123.3 | 170.1 | 41.3 | 0 | 0 | 0 | 0 | 108.3 | K848 N852 D854 | K848-T850 PolarHBondContact O-N 3.01Å; T850-N852 PolarHBondContact O-N 3.2Å; T850-D854 PolarHBondContact OG1-O 3.46Å | ||
| 851 | V | 50.7 | Low | 46.3 | Very low | 33 Ų | 33 | 108.5 Ų | 108.5 | 20% | 0.2 | 61% | 0.614 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -57.3 | 129.4 | 174.5 | 179 | 0 | 0 | 0 | 0 | 108.4 | E460 M464 | E460-V851 HydrophobicContact CB-CG2 4.33Å; M464-V851 HydrophobicContact CE-CG1 4.14Å |
| 852 | N | 53.7 | Low | 44.1 | Very low | 105 Ų | 105 | 112.2 Ų | 112.2 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 99 | 23.1 | -179.1 | -48.6 | -43.9 | 0 | 0 | 0 | 116.7 | K467 T850 D854 | K467-N852 PolarHBondContact NZ-OD1 3.34Å; T850-N852 PolarHBondContact O-N 3.2Å; N852-D854 PolarHBondContact O-N 3.18Å |
| 853 | G | 47.2 | Very low | 42.6 | Very low | 34 Ų | 34 | 112.7 Ų | 112.7 | 35% | 0.351 | 62% | 0.623 | S | S | . | * | S | Bend | trans | 68.9 | 14.5 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | D432 S855 | D432-G853 PolarHBondContact OD2-N 2.71Å; G853-S855 PolarHBondContact O-N 3.31Å; G853-S855 VanDerWaalsContact O-N 3.15Å |
| 854 | D | 35.5 | Very low | 40.7 | Very low | 106 Ų | 106 | 114.8 Ų | 114.8 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | trans | -88.5 | 78.8 | -179.3 | -154.4 | -5.8 | 0 | 0 | 0 | 110.2 | T850 N852 S856 | T850-D854 PolarHBondContact OG1-O 3.46Å; N852-D854 PolarHBondContact O-N 3.18Å; D854-S856 PolarHBondContact OD1-OG 3.32Å | ||
| 855 | S | 39.6 | Very low | 39.4 | Very low | 76 Ų | 76 | 116.4 Ų | 116.4 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | trans | -99.3 | 61.4 | 167.1 | 74.9 | 0 | 0 | 0 | 0 | 110.4 | G853 A857 | G853-S855 PolarHBondContact O-N 3.31Å; G853-S855 VanDerWaalsContact O-N 3.15Å; S855-A857 PolarHBondContact O-N 3.25Å | ||
| 856 | S | 29.8 | Very low | 38.2 | Very low | 94 Ų | 94 | 125.6 Ų | 125.6 | 66% | 0.657 | 70% | 0.698 | S | S | * | * | trans | -87.8 | 79.6 | 164 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | D854 | D854-S856 PolarHBondContact OD1-OG 3.32Š| ||
| 857 | A | 27.8 | Very low | 38 | Very low | 97 Ų | 97 | 124.4 Ų | 124.4 | 80% | 0.802 | 69% | 0.693 | S | S | * | * | trans | -104.4 | 86.7 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | S855 A859 | S855-A857 PolarHBondContact O-N 3.25Å; A857-A859 PolarHBondContact O-N 3.09Å | ||
| 858 | E | 27 | Very low | 37.3 | Very low | 170 Ų | 170 | 124.2 Ų | 124.2 | 79% | 0.794 | 70% | 0.696 | S | S | * | * | trans | -61 | 122.5 | 163 | -78.3 | 177.3 | 152.8 | 0 | 0 | 108.3 | E860 | E858-E860 VanDerWaalsContact C-N 3.26Å; E858-E860 PolarHBondContact O-N 3.04Å; E858-E860 VanDerWaalsContact O-N 3.09Å | ||
| 859 | A | 29.8 | Very low | 36.7 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 90% | 0.901 | 69% | 0.689 | S | S | * | * | trans | -76.8 | 80.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | A857 | A857-A859 PolarHBondContact O-N 3.09Š| ||
| 860 | E | 30.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 124.6 Ų | 124.6 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -101.7 | 89.3 | 160.7 | -83.8 | -165.1 | 155.5 | 0 | 0 | 108.9 | E858 | E858-E860 VanDerWaalsContact C-N 3.26Å; E858-E860 PolarHBondContact O-N 3.04Å; E858-E860 VanDerWaalsContact O-N 3.09Å | ||
| 861 | E | 31.3 | Very low | 34.9 | Very low | 187 Ų | 187 | 128.4 Ų | 128.4 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -171.3 | 78.4 | 150.6 | -110.9 | 177.2 | -166.6 | 0 | 0 | 109.7 | ||||
| 862 | L | 33.6 | Very low | 33.9 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | trans | -166.5 | 62.9 | 158.5 | -110.1 | 148.6 | 0 | 0 | 0 | 111 | ||||
| 863 | A | 31.3 | Very low | 32.5 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | -162.2 | 89.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 864 | N | 29.8 | Very low | 31.4 | Very low | 165 Ų | 165 | 144.8 Ų | 144.8 | 88% | 0.882 | 82% | 0.819 | S | S | * | * | trans | 177.4 | 92.2 | 142.8 | -87.6 | -23 | 0 | 0 | 0 | 109.4 | ||||
| 865 | E | 30.2 | Very low | 31 | Very low | 196 Ų | 196 | 148.1 Ų | 148.1 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | trans | -161.8 | 87.8 | 143.6 | -106.9 | 176.8 | -157.4 | 0 | 0 | 108.2 | ||||
| 866 | I | 31.7 | Very low | 30.2 | Very low | 245 Ų | 245 | 154.6 Ų | 154.6 | 100% | 1.256 | 87% | 0.868 | S | S | * | * | trans | -110.4 | 0 | 134.1 | -71.5 | 179 | 0 | 0 | 0 | 105.5 |
Retrieved 866 of 866 residues in 212.6 ms
(Link to these results)